A0A087X5D9_POEFO Loading...

Armadillo like helical domain containing 3

AlphaFold DB , UniProt , Accession A0A087X5D9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 720 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.8	Very low	34.7	Very low	232 Å²	232	154.2 Å²	154.2	100%	1.143	73%	0.731	S	S	*	*				0	19.1	0	-139.4	171	-177.1	0	0	114.6
2	R	36.1	Very low	34.5	Very low	234 Å²	234	149.5 Å²	149.5	88%	0.883	73%	0.728	S	S	*	*			trans	-134.4	15.6	174.2	-82.9	-171.6	-179.6	174.8	0.9	114.5
3	L	31.6	Very low	34.3	Very low	130 Å²	130	152.3 Å²	152.3	68%	0.681	73%	0.734	S	S	*	*	S	Bend	trans	-107.2	-25.9	176.6	-150.5	74.1	0	0	0	112.5
4	N	33.5	Very low	34	Very low	127 Å²	127	150.1 Å²	150.1	68%	0.679	74%	0.735	S	S	*	*	H	α-helix	trans	-76.1	-27.5	178.9	-75	-3.7	0	0	0	113.6	K8	N4-K8 PolarHBondContact O-N 3.48Å
5	D	35.6	Very low	34.1	Very low	108 Å²	108	150.3 Å²	150.3	58%	0.578	74%	0.738	S	S	*	*	H	α-helix	trans	-79.5	-21.3	179	-67.2	-31.9	0	0	0	113.1	T9	D5-T9 PolarHBondContact O-OG1 3.49Å
6	L	31	Very low	33.9	Very low	125 Å²	125	153.8 Å²	153.8	65%	0.654	74%	0.742	S	S	*	*	H	α-helix	trans	-77.8	-27.5	176.2	-144.9	79	0	0	0	112
7	I	37.4	Very low	33.6	Very low	105 Å²	105	153.9 Å²	153.9	54%	0.538	75%	0.748	S	S	.	*	H	α-helix	trans	-80.4	-31.9	178.5	-63.7	173.4	0	0	0	111.6
8	K	35.3	Very low	33.5	Very low	169 Å²	169	154 Å²	154	74%	0.735	75%	0.751	S	S	*	*	H	α-helix	trans	-69.2	-30.7	175.3	-84.2	-174.3	173	-175.6	0	113.3	N4	N4-K8 PolarHBondContact O-N 3.48Å
9	T	33	Very low	33.3	Very low	108 Å²	108	158.1 Å²	158.1	66%	0.663	76%	0.76	S	S	*	*	H	α-helix	trans	-88.1	-18.8	-170.7	-42.8	0	0	0	0	113.6	D5	D5-T9 PolarHBondContact O-OG1 3.49Å
10	Q	31	Very low	33	Very low	157 Å²	157	158.9 Å²	158.9	73%	0.734	77%	0.767	S	S	*	*	H	α-helix	trans	-93.7	-20.2	179.1	-107.2	-174.4	-15.7	0	0	115.1
11	R	33.8	Very low	32.8	Very low	201 Å²	201	159.7 Å²	159.7	76%	0.758	77%	0.774	S	S	*	*	H	α-helix	trans	-79.6	-20.2	179.1	-91.1	-174.4	172.5	-177.3	-2	114.7	K13	R11-K13 VanDerWaalsContact C-N 3.32Å; R11-K13 PolarHBondContact O-N 3.01Å
12	S	32.5	Very low	32.1	Very low	98 Å²	98	154.1 Å²	154.1	69%	0.685	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-4.7	-175.2	-149.4	0	0	0	0	114.8
13	K	30.7	Very low	31.6	Very low	186 Å²	186	152.6 Å²	152.6	81%	0.809	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.2	-0.9	-174.7	-85.2	-178.2	174.6	178	0	115.9	R11	R11-K13 VanDerWaalsContact C-N 3.32Å; R11-K13 PolarHBondContact O-N 3.01Å
14	T	31.2	Very low	31.4	Very low	122 Å²	122	154.8 Å²	154.8	75%	0.748	77%	0.765	S	S	*	*	S	Bend	trans	-106.4	-4.4	-177.8	-50.2	0	0	0	0	113.9
15	I	34.8	Very low	32	Very low	152 Å²	152	153.3 Å²	153.3	78%	0.779	76%	0.763	S	S	*	*	S	Bend	trans	-97.2	8.6	-177.7	-59.1	-178.9	0	0	0	112.7
16	Y	30.5	Very low	31.5	Very low	207 Å²	207	157.2 Å²	157.2	81%	0.812	78%	0.775	S	S	*	*	S	Bend	trans	-103.7	15.6	-174.6	-103.6	-77.1	0	0	0	116.2
17	N	29.6	Very low	31.2	Very low	155 Å²	155	158.7 Å²	158.7	83%	0.829	78%	0.782	S	S	*	*	S	Bend	trans	-149.1	30.2	-173.6	-104.8	-26.6	0	0	0	118.6
18	L	31.3	Very low	30.7	Very low	156 Å²	156	162.1 Å²	162.1	82%	0.817	80%	0.796	S	S	*	*			trans	-135.1	118.9	159.1	-93.6	100.1	0	0	0	109.2
19	Y	29.1	Very low	30.2	Very low	231 Å²	231	164.6 Å²	164.6	91%	0.906	80%	0.803	S	S	*	*			trans	141.7	74.3	157.1	-75.5	-64.7	0	0	0	110
20	L	28.4	Very low	29.8	Very low	175 Å²	175	166.9 Å²	166.9	92%	0.916	81%	0.81	S	S	*	*			trans	-135.2	101.3	161.6	-95.2	163.7	0	0	0	107
21	L	28	Very low	29.6	Very low	175 Å²	175	165.2 Å²	165.2	92%	0.916	81%	0.81	S	S	*	*			trans	-149	135.9	149.5	-92.6	173.8	0	0	0	108.4
22	P	28.6	Very low	29.2	Very low	115 Å²	115	164.3 Å²	164.3	75%	0.747	82%	0.817	S	S	*	*			trans	-97.6	147	-171.3	36.8	-30.7	0	0	0	112.4
23	E	26.3	Very low	28.8	Very low	202 Å²	202	164.7 Å²	164.7	94%	0.944	82%	0.819	S	S	*	*			trans	-109.7	127.1	159.9	-77.1	-165.4	159.8	0	0	109.7
24	E	28.4	Very low	28.5	Very low	176 Å²	176	163.3 Å²	163.3	82%	0.822	82%	0.816	S	S	*	*			trans	-86.7	159.5	176	-93.8	-114.9	157.7	0	0	112
25	P	45.6	Very low	28.3	Very low	96 Å²	96	164.1 Å²	164.1	62%	0.623	82%	0.82	S	S	*	*			trans	-101	166.9	-165.6	38.9	-31	0	0	0	112.8
26	F	24.4	Very low	27.8	Very low	191 Å²	191	164.6 Å²	164.6	84%	0.838	82%	0.819	S	S	*	*			trans	-175.3	144.6	137.3	-106.1	-72.4	0	0	0	113.9
27	L	25.5	Very low	27.7	Very low	155 Å²	155	164.4 Å²	164.4	81%	0.812	82%	0.823	S	S	*	*			trans	97.9	81.9	155.3	-72.3	157	0	0	0	120
28	Q	27.1	Very low	27.7	Very low	178 Å²	178	166.8 Å²	166.8	83%	0.832	83%	0.826	S	S	*	*			trans	-84.9	132.1	146.1	-166.4	171.6	23.7	0	0	108.5
29	Y	25.5	Very low	27.6	Very low	221 Å²	221	164.1 Å²	164.1	87%	0.867	83%	0.826	S	S	*	*			trans	176.9	147.3	145	-103	-71.6	0	0	0	113
30	L	24.2	Very low	27.6	Very low	155 Å²	155	156.8 Å²	156.8	81%	0.812	82%	0.82	S	S	*	*			trans	79.4	124.7	173.5	-94.8	80.5	0	0	0	116.1
31	V	25.4	Very low	28	Very low	123 Å²	123	156.4 Å²	156.4	75%	0.745	82%	0.819	S	S	*	*			cis	-154.4	134.7	41.2	170.4	0	0	0	0	110.7
32	M	25.2	Very low	28.2	Very low	182 Å²	182	156.3 Å²	156.3	90%	0.897	82%	0.818	S	S	*	*			trans	-92.6	140.2	161	-74.6	175.8	64.1	0	0	110
33	S	24.5	Very low	28.3	Very low	105 Å²	105	162.1 Å²	162.1	73%	0.734	83%	0.825	S	S	*	*			trans	-171.7	90.6	154.8	167.3	0	0	0	0	110
34	Q	24.9	Very low	29	Very low	157 Å²	157	164.3 Å²	164.3	73%	0.734	83%	0.825	S	S	*	*				48.5	117.3	115.7	-73.4	-143.8	-4.2	0	0	118.4
35	V	27.3	Very low	29.1	Very low	140 Å²	140	162.2 Å²	162.2	85%	0.848	82%	0.824	S	S	*	*			trans	-139.4	113.3	140.4	177	0	0	0	0	108.6
36	E	24.8	Very low	29	Very low	162 Å²	162	163.5 Å²	163.5	76%	0.757	84%	0.835	S	S	*	*			trans	-70.3	140.9	170.2	-66.6	177.3	134.5	0	0	111.9
37	K	28.7	Very low	29.6	Very low	202 Å²	202	159 Å²	159	88%	0.878	83%	0.828	S	S	*	*			trans	-138.5	104	150	-85.9	-169.7	179.9	173.1	0	112
38	K	28.8	Very low	30.3	Very low	206 Å²	206	157.5 Å²	157.5	90%	0.896	83%	0.83	S	S	*	*			trans	22.1	114.3	150.3	-75.8	-179.7	173.6	177.8	0	119.3
39	A	28.5	Very low	30.9	Very low	100 Å²	100	157.9 Å²	157.9	83%	0.826	83%	0.829	S	S	*	*			trans	-66.3	130.3	157.7	0	0	0	0	0	112
40	G	30.1	Very low	32.1	Very low	76 Å²	76	156.3 Å²	156.3	78%	0.784	83%	0.827	S	S	*	*			trans	-107.8	116.8	157.9	0	0	0	0	0	108.9	L42	G40-L42 PolarHBondContact O-N 3.38Å
41	L	36.3	Very low	33.4	Very low	168 Å²	168	154.2 Å²	154.2	88%	0.88	82%	0.822	S	S	*	*			trans	-69	114.1	173.3	-94.3	91.5	0	0	0	110.3
42	L	32.6	Very low	35	Very low	173 Å²	173	157.1 Å²	157.1	91%	0.906	83%	0.833	S	S	*	*			trans	-132.7	112.6	153.5	-77	173.5	0	0	0	110.8	G40	G40-L42 PolarHBondContact O-N 3.38Å
43	R	31.4	Very low	37.4	Very low	237 Å²	237	153.5 Å²	153.5	89%	0.894	81%	0.812	S	S	*	*			trans	-7.9	125.7	162.8	-158.8	171.4	-177.6	174.4	-0.4	117.7	T45	R43-T45 PolarHBondContact O-N 3.25Å
44	R	39.9	Very low	40.3	Very low	247 Å²	247	154 Å²	154	93%	0.932	80%	0.802	S	S	*	*			trans	-39	120.2	164	-89.2	171.7	147.4	176.4	-7.1	112.7
45	T	29.9	Very low	43.2	Very low	133 Å²	133	151.9 Å²	151.9	82%	0.816	79%	0.791	S	S	*	*			trans	-124.2	129.8	147.7	53.7	0	0	0	0	108.3	R43 S47	R43-T45 PolarHBondContact O-N 3.25Å; T45-S47 PolarHBondContact O-N 2.87Å
46	S	43.8	Very low	46.1	Very low	122 Å²	122	145.6 Å²	145.6	85%	0.853	75%	0.753	S	S	*	*			trans	-71.8	113.1	179.1	49.7	0	0	0	0	110.6
47	S	38.4	Very low	49.2	Very low	98 Å²	98	138.5 Å²	138.5	69%	0.685	72%	0.721	S	S	*	*			trans	-175	82.5	143.2	48.4	0	0	0	0	109.4	T45 K49	T45-S47 PolarHBondContact O-N 2.87Å; S47-K49 PolarHBondContact O-N 2.95Å
48	S	38.7	Very low	52	Low	122 Å²	122	132.6 Å²	132.6	85%	0.853	70%	0.698	S	S	*	*			trans	-70.3	77.3	159.6	52.6	0	0	0	0	108.1	K50	S48-K50 VanDerWaalsContact C-N 3.31Å; S48-K50 PolarHBondContact O-N 3.27Å
49	K	40.8	Very low	54.9	Low	186 Å²	186	123.1 Å²	123.1	81%	0.809	66%	0.657	S	S	*	*			trans	-59.4	105.3	158.8	-78.2	-174	177.6	-179.2	0	105.1	S47	S47-K49 PolarHBondContact O-N 2.95Å
50	K	50	Low	57.9	Low	189 Å²	189	118.4 Å²	118.4	82%	0.822	62%	0.618	S	S	*	*			trans	-46.3	130.5	166.4	-77.7	-179.9	175.6	179.9	0	106.2	S48 L52	S48-K50 VanDerWaalsContact C-N 3.31Å; S48-K50 PolarHBondContact O-N 3.27Å; K50-L52 PolarHBondContact O-N 3.13Å
51	P	51.4	Low	60.8	Low	111 Å²	111	116.8 Å²	116.8	72%	0.721	59%	0.592	S	S	*	*			trans	-52.2	132.9	176.1	21.4	-30.9	0	0	0	108	K53	P51-K53 PolarHBondContact O-N 3.33Å
52	L	58.4	Low	63.3	Low	184 Å²	184	113.1 Å²	113.1	96%	0.963	57%	0.57	S	S	*	*			trans	-59.8	107	176.9	-74.6	162.5	0	0	0	107.1	K50	K50-L52 PolarHBondContact O-N 3.13Å
53	K	76.7	Confident	66	Low	105 Å²	105	104.9 Å²	104.9	46%	0.457	53%	0.527	S	S	.	.			trans	-83.3	139.6	173	-74.6	-175	165.9	-167.9	0	108.5	P51 V57 L58 D61	P51-K53 PolarHBondContact O-N 3.33Å; K53-V57 HydrophobicContact CB-CG1 4.49Å; K53-V57 HydrophobicContact CD-CG1 4.21Å; K53-L58 HydrophobicContact CB-CD2 3.86Å; K53-L58 HydrophobicContact CB-CG 4.03Å; K53-L58 HydrophobicContact CD-CD2 3.75Å; K53-L58 HydrophobicContact CG-CD2 4.44Å; K53-D61 IonicContact NZ-OD2 4Å; K53-D61 PolarHBondContact NZ-OD2 3.36Å
54	E	84.7	Confident	68.7	Low	115 Å²	115	94.7 Å²	94.7	54%	0.537	49%	0.489	S	S	.	.			trans	-58.1	145.2	170.6	-61.4	176.4	166.4	0	0	110	V56 V57 L58 N86	E54-V56 HydrophobicContact CB-CG1 4.14Å; E54-V56 PolarHBondContact O-N 3.45Å; E54-V57 HydrophobicContact CB-CB 4.41Å; E54-V57 HydrophobicContact CB-CG2 4.07Å; E54-V57 WeakPolarHBondContact O-CB 3.11Å; E54-V57 PolarHBondContact O-N 3.14Å; E54-L58 PolarHBondContact O-N 3.04Å; E54-N86 PolarHBondContact OE2-ND2 2.75Å
55	K	86.9	Confident	70.8	Confident	113 Å²	113	85 Å²	85	49%	0.491	46%	0.461	S	S	.	.	H	α-helix	trans	-58.3	-37.9	-179.1	-174.1	-178	173.5	-169.3	0	111.9	V57 L58 M59 E79 M83	K55-V57 VanDerWaalsContact C-N 3.31Å; K55-V57 PolarHBondContact O-N 3.44Å; K55-L58 WeakPolarHBondContact O-CB 3.49Å; K55-L58 PolarHBondContact O-N 3.09Å; K55-M59 HydrophobicContact CG-SD 4.45Å; K55-M59 PolarHBondContact O-N 3.29Å; K55-E79 IonicContact NZ-OE2 2.75Å; K55-E79 PolarHBondContact NZ-OE2 3.05Å; K55-M83 HydrophobicContact CB-SD 3.72Å; K55-M83 HydrophobicContact CD-SD 3.75Å; K55-M83 HydrophobicContact CG-CE 4.29Å; K55-M83 HydrophobicContact CG-SD 3.67Å
56	V	87.2	Confident	73	Confident	9 Å²	9	86 Å²	86	6%	0.055	45%	0.454	C	S	.	.	H	α-helix	trans	-61.6	-38.5	176.4	71.7	0	0	0	0	112.7	E54 L58 M59 Y60 L80 M83 N86	E54-V56 HydrophobicContact CB-CG1 4.14Å; E54-V56 PolarHBondContact O-N 3.45Å; V56-L58 VanDerWaalsContact C-N 3.34Å; V56-L58 PolarHBondContact O-N 2.86Å; V56-M59 PolarHBondContact O-N 2.89Å; V56-Y60 HydrophobicContact CG2-CD2 4.23Å; V56-Y60 HydrophobicContact CG2-CE1 4.41Å; V56-Y60 HydrophobicContact CG2-CE2 3.65Å; V56-Y60 WeakPolarHBondContact O-CD2 3.26Å; V56-Y60 PolarHBondContact O-N 3.13Å; V56-L80 HydrophobicContact CG2-CD1 4.41Å; V56-M83 VanDerWaalsContact CA-CE 3.41Å; V56-M83 HydrophobicContact CB-CB 4.16Å; V56-M83 HydrophobicContact CB-CE 3.8Å; V56-M83 HydrophobicContact CB-SD 4.18Å; V56-M83 HydrophobicContact CG2-CB 4.23Å; V56-M83 HydrophobicContact CG2-CE 4.07Å; V56-N86 HydrophobicContact CG1-CB 4.01Å
57	V	89.2	Confident	74.8	Confident	13 Å²	13	86.6 Å²	86.6	8%	0.079	44%	0.444	C	S	.	.	H	α-helix	trans	-66.3	-38.3	176.6	172.5	0	0	0	0	111	K53 E54 K55 Y60 D61 N86 Y89	K53-V57 HydrophobicContact CB-CG1 4.49Å; K53-V57 HydrophobicContact CD-CG1 4.21Å; E54-V57 HydrophobicContact CB-CB 4.41Å; E54-V57 HydrophobicContact CB-CG2 4.07Å; E54-V57 WeakPolarHBondContact O-CB 3.11Å; E54-V57 PolarHBondContact O-N 3.14Å; K55-V57 VanDerWaalsContact C-N 3.31Å; K55-V57 PolarHBondContact O-N 3.44Å; V57-Y60 PolarHBondContact O-N 2.89Å; V57-D61 PolarHBondContact O-N 2.89Å; V57-N86 HydrophobicContact CG2-CB 4.44Å; V57-Y89 HydrophobicContact CG1-CD1 4.1Å; V57-Y89 HydrophobicContact CG1-CD2 4.03Å; V57-Y89 HydrophobicContact CG1-CE1 3.76Å; V57-Y89 HydrophobicContact CG1-CE2 3.71Å; V57-Y89 HydrophobicContact CG1-CG 4.22Å; V57-Y89 HydrophobicContact CG2-CD1 4.33Å; V57-Y89 HydrophobicContact CG2-CD2 4.43Å; V57-Y89 HydrophobicContact CG2-CG 4.13Å
58	L	88.8	Confident	76.9	Confident	78 Å²	78	85.4 Å²	85.4	41%	0.408	43%	0.43	S	S	.	.	H	α-helix	trans	-65.7	-42.2	175.1	-64.5	174.4	0	0	0	111.9	K53 E54 K55 V56 D61 E62	K53-L58 HydrophobicContact CB-CD2 3.86Å; K53-L58 HydrophobicContact CB-CG 4.03Å; K53-L58 HydrophobicContact CD-CD2 3.75Å; K53-L58 HydrophobicContact CG-CD2 4.44Å; E54-L58 PolarHBondContact O-N 3.04Å; K55-L58 WeakPolarHBondContact O-CB 3.49Å; K55-L58 PolarHBondContact O-N 3.09Å; V56-L58 VanDerWaalsContact C-N 3.34Å; V56-L58 PolarHBondContact O-N 2.86Å; L58-D61 WeakPolarHBondContact O-CB 3.39Å; L58-D61 PolarHBondContact O-N 2.81Å; L58-E62 PolarHBondContact O-N 3.25Å
59	M	90.1	Very high	79.1	Confident	6 Å²	6	80.1 Å²	80.1	3%	0.03	39%	0.392	C	S	.	.	H	α-helix	trans	-67.6	-36	176.9	-69.1	-176.7	65.4	0	0	111.8	K55 V56 E62 I63 F76 E79 L80 M83	K55-M59 HydrophobicContact CG-SD 4.45Å; K55-M59 PolarHBondContact O-N 3.29Å; V56-M59 PolarHBondContact O-N 2.89Å; M59-E62 WeakPolarHBondContact O-CB 3.49Å; M59-E62 PolarHBondContact O-N 3.37Å; M59-I63 WeakPolarHBondContact O-CG1 3.33Å; M59-I63 PolarHBondContact O-N 3.17Å; M59-I63 VanDerWaalsContact O-N 3.12Å; M59-F76 HydrophobicContact CB-CE2 4Å; M59-F76 HydrophobicContact CB-CZ 3.97Å; M59-F76 HydrophobicContact CE-CD1 4.39Å; M59-F76 HydrophobicContact CE-CD2 3.6Å; M59-F76 HydrophobicContact CE-CE1 4.31Å; M59-F76 HydrophobicContact CE-CE2 3.51Å; M59-F76 HydrophobicContact CE-CG 4.04Å; M59-F76 HydrophobicContact CE-CZ 3.87Å; M59-F76 WeakPolarHBondContact CE-O 3.48Å; M59-F76 HydrophobicContact CG-CE2 4.03Å; M59-F76 HydrophobicContact CG-CZ 4.48Å; M59-E79 HydrophobicContact CE-CB 3.97Å; M59-E79 HydrophobicContact SD-CB 4.43Å; M59-L80 HydrophobicContact CB-CD1 3.91Å; M59-L80 HydrophobicContact CE-CB 3.8Å; M59-L80 HydrophobicContact CE-CD1 4.3Å; M59-M83 HydrophobicContact CB-CE 4.26Å; M59-M83 HydrophobicContact CE-CE 4.3Å; M59-M83 HydrophobicContact CG-CE 4.02Å; M59-M83 HydrophobicContact SD-CE 3.11Å; M59-M83 WeakPolarHBondContact SD-CE 3.47Å; M59-M83 HydrophobicContact SD-SD 4.31Å
60	Y	91.2	Very high	81.1	Confident	2 Å²	2	72.4 Å²	72.4	1%	0.008	36%	0.363	C	S	.	.	H	α-helix	trans	-61	-46.9	168.3	-67	-35.6	0	0	0	111.4	V56 V57 E62 I63 F64 L80 V85 N86 Y89 L90	V56-Y60 HydrophobicContact CG2-CD2 4.23Å; V56-Y60 HydrophobicContact CG2-CE1 4.41Å; V56-Y60 HydrophobicContact CG2-CE2 3.65Å; V56-Y60 WeakPolarHBondContact O-CD2 3.26Å; V56-Y60 PolarHBondContact O-N 3.13Å; V57-Y60 PolarHBondContact O-N 2.89Å; Y60-E62 PolarHBondContact O-N 3.07Å; Y60-E62 VanDerWaalsContact O-N 3.16Å; Y60-I63 HydrophobicContact CD1-CD1 4.2Å; Y60-I63 WeakPolarHBondContact O-CB 3.48Å; Y60-I63 PolarHBondContact O-N 3.08Å; Y60-F64 WeakPolarHBondContact O-CD2 3.47Å; Y60-F64 PolarHBondContact O-N 3.18Å; Y60-L80 HydrophobicContact CD1-CD1 4.26Å; Y60-L80 HydrophobicContact CE1-CD1 3.94Å; Y60-V85 WeakPolarHBondContact OH-CG1 3.38Å; Y60-N86 HydrophobicContact CE2-CB 4.24Å; Y60-Y89 AromaticContact CD2-CD1 3.86Å; Y60-Y89 HydrophobicContact CD2-CD1 3.86Å; Y60-Y89 HydrophobicContact CG-CD1 4.45Å; Y60-L90 HydrophobicContact CD1-CD1 4.22Å; Y60-L90 HydrophobicContact CE1-CD1 4.39Å; Y60-L90 HydrophobicContact CE1-CD2 4.22Å; Y60-L90 HydrophobicContact CE2-CB 4.25Å; Y60-L90 HydrophobicContact CG-CD1 4.45Å
61	D	89.6	Confident	82.7	Confident	42 Å²	42	70.9 Å²	70.9	23%	0.225	36%	0.357	C	S	.	.	H	α-helix	trans	-54.7	-34.3	175.9	-78.4	-26.1	0	0	0	112.8	K53 V57 L58 F64 A65 Y89	K53-D61 IonicContact NZ-OD2 4Å; K53-D61 PolarHBondContact NZ-OD2 3.36Å; V57-D61 PolarHBondContact O-N 2.89Å; L58-D61 WeakPolarHBondContact O-CB 3.39Å; L58-D61 PolarHBondContact O-N 2.81Å; D61-F64 CarbonylContact O-C 3.42Å; D61-F64 PolarHBondContact O-N 3.43Å; D61-A65 PolarHBondContact O-N 3.37Å; D61-Y89 VanDerWaalsContact CG-OH 3.29Å; D61-Y89 PolarHBondContact OD1-OH 3Å; D61-Y89 PolarHBondContact OD2-OH 3.2Å
62	E	89.4	Confident	83.9	Confident	90 Å²	90	71.9 Å²	71.9	42%	0.421	36%	0.356	S	S	.	.	H	α-helix	trans	-69.3	-39.7	173.8	-69.1	173.3	-146.5	0	0	112.8	L58 M59 Y60 F64 A65 P69 F76	L58-E62 PolarHBondContact O-N 3.25Å; M59-E62 WeakPolarHBondContact O-CB 3.49Å; M59-E62 PolarHBondContact O-N 3.37Å; Y60-E62 PolarHBondContact O-N 3.07Å; Y60-E62 VanDerWaalsContact O-N 3.16Å; E62-F64 VanDerWaalsContact C-N 3.3Å; E62-F64 PolarHBondContact O-N 2.92Å; E62-A65 VanDerWaalsContact O-CB 3.25Å; E62-A65 WeakPolarHBondContact O-CB 3.23Å; E62-A65 PolarHBondContact O-N 3.22Å; E62-A65 VanDerWaalsContact O-N 3.09Å; E62-P69 HydrophobicContact CB-CB 4.21Å; E62-F76 HydrophobicContact CB-CE2 4.26Å; E62-F76 HydrophobicContact CB-CZ 4.49Å; E62-F76 WeakPolarHBondContact OE2-CE2 3.17Å
63	I	89.1	Confident	85.2	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-62.6	-39.5	173.7	-64.8	169.8	0	0	0	110.9	M59 Y60 A65 P69 F76 W77 L80 N108 L112	M59-I63 WeakPolarHBondContact O-CG1 3.33Å; M59-I63 PolarHBondContact O-N 3.17Å; M59-I63 VanDerWaalsContact O-N 3.12Å; Y60-I63 HydrophobicContact CD1-CD1 4.2Å; Y60-I63 WeakPolarHBondContact O-CB 3.48Å; Y60-I63 PolarHBondContact O-N 3.08Å; I63-A65 PolarHBondContact O-N 2.92Å; I63-P69 HydrophobicContact CG1-CG 4.19Å; I63-F76 HydrophobicContact CD1-CE1 3.98Å; I63-F76 HydrophobicContact CD1-CZ 4.15Å; I63-F76 HydrophobicContact CG1-CE1 3.79Å; I63-F76 HydrophobicContact CG1-CZ 3.77Å; I63-W77 HydrophobicContact CD1-CH2 4.36Å; I63-W77 HydrophobicContact CD1-CZ3 3.95Å; I63-W77 HydrophobicContact CG1-CH2 4.37Å; I63-W77 HydrophobicContact CG1-CZ3 4.41Å; I63-L80 HydrophobicContact CD1-CD2 3.86Å; I63-N108 HydrophobicContact CG2-CB 4.19Å; I63-N108 VanDerWaalsContact O-CB 3.23Å; I63-N108 WeakPolarHBondContact O-CB 3.17Å; I63-N108 PolarHBondContact O-ND2 2.89Å; I63-L112 HydrophobicContact CD1-CD1 4.17Å; I63-L112 HydrophobicContact CD1-CD2 4.19Å; I63-L112 HydrophobicContact CG2-CD2 4.32Å
64	F	87.9	Confident	85.6	Confident	24 Å²	24	66.1 Å²	66.1	11%	0.105	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	7.2	176.6	-69.4	-81.6	0	0	0	113.4	Y60 D61 E62 L90 K93 L94 V97 I105	Y60-F64 WeakPolarHBondContact O-CD2 3.47Å; Y60-F64 PolarHBondContact O-N 3.18Å; D61-F64 CarbonylContact O-C 3.42Å; D61-F64 PolarHBondContact O-N 3.43Å; E62-F64 VanDerWaalsContact C-N 3.3Å; E62-F64 PolarHBondContact O-N 2.92Å; F64-L90 HydrophobicContact CE2-CD1 3.6Å; F64-L90 HydrophobicContact CZ-CD1 3.8Å; F64-K93 HydrophobicContact CD1-CG 3.99Å; F64-K93 HydrophobicContact CD2-CG 3.62Å; F64-K93 HydrophobicContact CE1-CG 4.17Å; F64-K93 HydrophobicContact CE2-CB 4.32Å; F64-K93 HydrophobicContact CE2-CG 3.83Å; F64-K93 HydrophobicContact CG-CG 3.78Å; F64-K93 HydrophobicContact CZ-CB 4.48Å; F64-K93 HydrophobicContact CZ-CG 4.12Å; F64-L94 HydrophobicContact CE1-CD2 3.68Å; F64-L94 HydrophobicContact CE1-CG 4.08Å; F64-L94 HydrophobicContact CZ-CD2 3.76Å; F64-L94 HydrophobicContact CZ-CG 3.8Å; F64-V97 HydrophobicContact CD1-CG2 3.92Å; F64-V97 HydrophobicContact CE1-CG2 4.27Å; F64-I105 HydrophobicContact CD1-CD1 3.42Å; F64-I105 VanDerWaalsContact CD1-CD1 3.42Å; F64-I105 HydrophobicContact CE1-CD1 3.88Å; F64-I105 HydrophobicContact CG-CD1 4.49Å
65	A	85.1	Confident	85.7	Confident	42 Å²	42	69.1 Å²	69.1	35%	0.347	34%	0.344	S	S	.	.	S	Bend	trans	-87	170.3	171.6	0	0	0	0	0	111.6	D61 E62 I63 E67 N108	D61-A65 PolarHBondContact O-N 3.37Å; E62-A65 VanDerWaalsContact O-CB 3.25Å; E62-A65 WeakPolarHBondContact O-CB 3.23Å; E62-A65 PolarHBondContact O-N 3.22Å; E62-A65 VanDerWaalsContact O-N 3.09Å; I63-A65 PolarHBondContact O-N 2.92Å; A65-E67 VanDerWaalsContact C-N 3.33Å; A65-N108 PolarHBondContact O-ND2 3.15Å; A65-N108 VanDerWaalsContact O-ND2 3.09Å
66	K	75.5	Confident	85.9	Confident	154 Å²	154	63.8 Å²	63.8	67%	0.67	32%	0.321	S	S	*	.	S	Bend	trans	-73.9	-21.3	179.4	-74.7	-173.2	-179.8	-176	0	114.1
67	E	82.5	Confident	86.2	Confident	135 Å²	135	64.4 Å²	64.4	63%	0.631	32%	0.322	S	S	*	.	S	Bend	trans	-94.6	150.3	-176.5	-64.2	-173.9	-177.3	0	0	109.9	A65 P69 N108	A65-E67 VanDerWaalsContact C-N 3.33Å; E67-P69 WeakPolarHBondContact O-CD 3.44Å; E67-N108 PolarHBondContact O-ND2 2.95Å
68	D	82.6	Confident	86.1	Confident	73 Å²	73	67 Å²	67	39%	0.39	34%	0.336	S	S	.	.			trans	-67.1	117.9	172	172.5	5.8	0	0	0	109.1	A70 K71	D68-A70 PolarHBondContact O-N 3.3Å; D68-A70 WeakPolarHBondContact OD1-CB 2.94Å; D68-A70 PolarHBondContact OD1-N 2.87Å; D68-K71 HydrophobicContact CB-CB 4.16Å; D68-K71 VanDerWaalsContact O-CB 3.26Å; D68-K71 WeakPolarHBondContact O-CB 3.45Å; D68-K71 PolarHBondContact O-N 2.75Å
69	P	83.3	Confident	86.2	Confident	11 Å²	11	66.4 Å²	66.4	7%	0.071	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-27.4	-177.5	26.8	-35.4	0	0	0	112.9	E62 I63 E67 K71 F76 W77	E62-P69 HydrophobicContact CB-CB 4.21Å; I63-P69 HydrophobicContact CG1-CG 4.19Å; E67-P69 WeakPolarHBondContact O-CD 3.44Å; P69-K71 VanDerWaalsContact C-N 3.32Å; P69-K71 PolarHBondContact O-N 3.1Å; P69-F76 HydrophobicContact CB-CD1 4.02Å; P69-F76 HydrophobicContact CB-CD2 3.91Å; P69-F76 HydrophobicContact CB-CE1 3.79Å; P69-F76 HydrophobicContact CB-CE2 3.67Å; P69-F76 HydrophobicContact CB-CG 4.09Å; P69-F76 HydrophobicContact CB-CZ 3.62Å; P69-F76 HydrophobicContact CG-CD1 4.15Å; P69-F76 HydrophobicContact CG-CE1 3.84Å; P69-F76 HydrophobicContact CG-CZ 4.09Å; P69-W77 HydrophobicContact CG-CH2 4.44Å; P69-W77 HydrophobicContact CG-CZ2 4.33Å
70	A	84.1	Confident	86.2	Confident	24 Å²	24	66.3 Å²	66.3	20%	0.198	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-15.1	-179.6	0	0	0	0	0	113.1	D68 N72 N73	D68-A70 PolarHBondContact O-N 3.3Å; D68-A70 WeakPolarHBondContact OD1-CB 2.94Å; D68-A70 PolarHBondContact OD1-N 2.87Å; A70-N72 VanDerWaalsContact C-N 3.3Å; A70-N72 PolarHBondContact O-N 3.07Å; A70-N73 WeakPolarHBondContact CA-O 3.36Å; A70-N73 CarbonylContact O-C 3.55Å; A70-N73 PolarHBondContact O-N 2.77Å
71	K	82	Confident	86.2	Confident	158 Å²	158	66.4 Å²	66.4	69%	0.687	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-38.3	-176.4	-172.3	178.5	179.9	-177.7	0	113.1	D68 P69	D68-K71 HydrophobicContact CB-CB 4.16Å; D68-K71 VanDerWaalsContact O-CB 3.26Å; D68-K71 WeakPolarHBondContact O-CB 3.45Å; D68-K71 PolarHBondContact O-N 2.75Å; P69-K71 VanDerWaalsContact C-N 3.32Å; P69-K71 PolarHBondContact O-N 3.1Å
72	N	78.2	Confident	86.3	Confident	131 Å²	131	68.5 Å²	68.5	70%	0.701	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	-11.8	-179.9	-63.5	-34.1	0	0	0	112.9	A70	A70-N72 VanDerWaalsContact C-N 3.3Å; A70-N72 PolarHBondContact O-N 3.07Å
73	N	84.4	Confident	86.2	Confident	52 Å²	52	65.8 Å²	65.8	28%	0.278	33%	0.329	S	S	.	.			trans	-137.2	95.5	178	-175.4	0.5	0	0	0	110.9	A70 R75 F76	A70-N73 WeakPolarHBondContact CA-O 3.36Å; A70-N73 CarbonylContact O-C 3.55Å; A70-N73 PolarHBondContact O-N 2.77Å; N73-R75 PolarHBondContact O-N 3.13Å; N73-R75 VanDerWaalsContact O-N 3.1Å; N73-R75 PolarHBondContact OD1-N 2.81Å; N73-R75 VanDerWaalsContact OD1-N 3.11Å; N73-F76 HydrophobicContact CB-CB 4.22Å; N73-F76 WeakPolarHBondContact O-CB 3.46Å; N73-F76 PolarHBondContact O-N 3.11Å
74	P	84.8	Confident	86.1	Confident	117 Å²	117	72.1 Å²	72.1	76%	0.76	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-21.1	179.6	-24.4	34.2	0	0	0	114.5
75	R	88.1	Confident	86.1	Confident	178 Å²	178	71.6 Å²	71.6	67%	0.672	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	9.7	178.9	-65.6	-171.8	177.9	-173.2	-1.4	113.1	N73 W77 D78 E79	N73-R75 PolarHBondContact O-N 3.13Å; N73-R75 VanDerWaalsContact O-N 3.1Å; N73-R75 PolarHBondContact OD1-N 2.81Å; N73-R75 VanDerWaalsContact OD1-N 3.11Å; R75-W77 VanDerWaalsContact C-N 3.34Å; R75-W77 PolarHBondContact O-N 2.91Å; R75-D78 PolarHBondContact O-N 3.27Å; R75-E79 PolarHBondContact O-N 2.82Å
76	F	91.8	Very high	86.3	Confident	1 Å²	1	71.6 Å²	71.6	0%	0.004	35%	0.35	C	S	.	.	H	α-helix	trans	-52	-49.9	-176.1	179.4	-90.9	0	0	0	112.5	M59 E62 I63 P69 N73 E79 L80	M59-F76 HydrophobicContact CB-CE2 4Å; M59-F76 HydrophobicContact CB-CZ 3.97Å; M59-F76 HydrophobicContact CE-CD1 4.39Å; M59-F76 HydrophobicContact CE-CD2 3.6Å; M59-F76 HydrophobicContact CE-CE1 4.31Å; M59-F76 HydrophobicContact CE-CE2 3.51Å; M59-F76 HydrophobicContact CE-CG 4.04Å; M59-F76 HydrophobicContact CE-CZ 3.87Å; M59-F76 WeakPolarHBondContact CE-O 3.48Å; M59-F76 HydrophobicContact CG-CE2 4.03Å; M59-F76 HydrophobicContact CG-CZ 4.48Å; E62-F76 HydrophobicContact CB-CE2 4.26Å; E62-F76 HydrophobicContact CB-CZ 4.49Å; E62-F76 WeakPolarHBondContact OE2-CE2 3.17Å; I63-F76 HydrophobicContact CD1-CE1 3.98Å; I63-F76 HydrophobicContact CD1-CZ 4.15Å; I63-F76 HydrophobicContact CG1-CE1 3.79Å; I63-F76 HydrophobicContact CG1-CZ 3.77Å; P69-F76 HydrophobicContact CB-CD1 4.02Å; P69-F76 HydrophobicContact CB-CD2 3.91Å; P69-F76 HydrophobicContact CB-CE1 3.79Å; P69-F76 HydrophobicContact CB-CE2 3.67Å; P69-F76 HydrophobicContact CB-CG 4.09Å; P69-F76 HydrophobicContact CB-CZ 3.62Å; P69-F76 HydrophobicContact CG-CD1 4.15Å; P69-F76 HydrophobicContact CG-CE1 3.84Å; P69-F76 HydrophobicContact CG-CZ 4.09Å; N73-F76 HydrophobicContact CB-CB 4.22Å; N73-F76 WeakPolarHBondContact O-CB 3.46Å; N73-F76 PolarHBondContact O-N 3.11Å; F76-E79 PolarHBondContact O-N 3.03Å; F76-L80 HydrophobicContact CE1-CD2 4.44Å; F76-L80 WeakPolarHBondContact O-CB 3.44Å; F76-L80 PolarHBondContact O-N 3.46Å
77	W	91.8	Very high	86.8	Confident	21 Å²	21	65.1 Å²	65.1	8%	0.08	32%	0.322	C	S	.	.	H	α-helix	trans	-67.7	-40	-177.7	-57.6	113.4	0	0	0	112.7	I63 P69 R75 E79 L80 F81 L112 H115	I63-W77 HydrophobicContact CD1-CH2 4.36Å; I63-W77 HydrophobicContact CD1-CZ3 3.95Å; I63-W77 HydrophobicContact CG1-CH2 4.37Å; I63-W77 HydrophobicContact CG1-CZ3 4.41Å; P69-W77 HydrophobicContact CG-CH2 4.44Å; P69-W77 HydrophobicContact CG-CZ2 4.33Å; R75-W77 VanDerWaalsContact C-N 3.34Å; R75-W77 PolarHBondContact O-N 2.91Å; W77-E79 VanDerWaalsContact C-N 3.34Å; W77-E79 PolarHBondContact O-N 2.95Å; W77-L80 HydrophobicContact CE3-CD2 3.92Å; W77-L80 HydrophobicContact CZ3-CD2 4.01Å; W77-L80 WeakPolarHBondContact O-CB 3.23Å; W77-L80 PolarHBondContact O-N 3.37Å; W77-F81 HydrophobicContact CB-CE2 4.19Å; W77-F81 WeakPolarHBondContact O-CD2 3.47Å; W77-F81 PolarHBondContact O-N 3.45Å; W77-L112 HydrophobicContact CE3-CD1 4.32Å; W77-L112 HydrophobicContact CH2-CB 3.92Å; W77-L112 HydrophobicContact CZ3-CB 3.86Å; W77-L112 HydrophobicContact CZ3-CD1 3.62Å; W77-L112 HydrophobicContact CZ3-CG 4.34Å; W77-H115 HydrophobicContact CB-CB 4.38Å; W77-H115 AromaticContact CD1-CD2 3.42Å; W77-H115 VanDerWaalsContact CD1-CD2 3.42Å; W77-H115 AromaticContact CD1-CE1 3.75Å; W77-H115 AromaticContact CD1-CG 3.8Å; W77-H115 AromaticContact CD1-ND1 3.99Å; W77-H115 AromaticContact CD1-NE2 3.41Å; W77-H115 HydrophobicContact CD2-CB 3.99Å; W77-H115 AromaticContact CD2-CD2 3.57Å; W77-H115 AromaticContact CD2-CG 3.84Å; W77-H115 AromaticContact CE2-CD2 3.27Å; W77-H115 AromaticContact CE2-NE2 3.85Å; W77-H115 HydrophobicContact CE3-CB 4.17Å; W77-H115 HydrophobicContact CG-CB 4.09Å; W77-H115 AromaticContact CG-CD2 3.68Å; W77-H115 AromaticContact CG-CG 3.71Å; W77-H115 AromaticContact CZ2-CD2 3.86Å; W77-H115 AromaticContact NE1-CD2 3.16Å; W77-H115 PolarHBondContact NE1-CD2 3.25Å; W77-H115 AromaticContact NE1-CG 3.98Å; W77-H115 AromaticContact NE1-NE2 3.22Å; W77-H115 PolarHBondContact NE1-NE2 3.05Å
78	D	88.3	Confident	87.1	Confident	69 Å²	69	66 Å²	66	37%	0.369	33%	0.327	S	S	.	.	H	α-helix	trans	-60.5	-44.2	175	-76	-47.9	0	0	0	111.8	R75 L80 L82 K127	R75-D78 PolarHBondContact O-N 3.27Å; D78-L80 VanDerWaalsContact C-N 3.35Å; D78-L82 WeakPolarHBondContact O-CD1 3.48Å; D78-L82 VanDerWaalsContact O-CG 3.31Å; D78-L82 WeakPolarHBondContact O-CG 3.37Å; D78-L82 PolarHBondContact O-N 2.98Å; D78-K127 IonicContact OD1-NZ 2.77Å; D78-K127 PolarHBondContact OD1-NZ 2.58Å
79	E	90.2	Very high	87.4	Confident	64 Å²	64	65.3 Å²	65.3	30%	0.299	32%	0.319	S	S	.	.	H	α-helix	trans	-65.8	-38.6	176.3	-73.3	-173.2	-146.6	0	0	112	K55 M59 R75 F76 W77 L82 M83	K55-E79 IonicContact NZ-OE2 2.75Å; K55-E79 PolarHBondContact NZ-OE2 3.05Å; M59-E79 HydrophobicContact CE-CB 3.97Å; M59-E79 HydrophobicContact SD-CB 4.43Å; R75-E79 PolarHBondContact O-N 2.82Å; F76-E79 PolarHBondContact O-N 3.03Å; W77-E79 VanDerWaalsContact C-N 3.34Å; W77-E79 PolarHBondContact O-N 2.95Å; E79-L82 PolarHBondContact O-N 3.46Å; E79-M83 WeakPolarHBondContact O-CG 3.36Å
80	L	91.2	Very high	87.7	Confident	5 Å²	5	64.8 Å²	64.8	3%	0.026	32%	0.316	C	S	.	.	H	α-helix	trans	-61.6	-50.6	179.4	-175.6	68.9	0	0	0	111.1	V56 M59 Y60 I63 F76 W77 D78 L82 M83 L112	V56-L80 HydrophobicContact CG2-CD1 4.41Å; M59-L80 HydrophobicContact CB-CD1 3.91Å; M59-L80 HydrophobicContact CE-CB 3.8Å; M59-L80 HydrophobicContact CE-CD1 4.3Å; Y60-L80 HydrophobicContact CD1-CD1 4.26Å; Y60-L80 HydrophobicContact CE1-CD1 3.94Å; I63-L80 HydrophobicContact CD1-CD2 3.86Å; F76-L80 HydrophobicContact CE1-CD2 4.44Å; F76-L80 WeakPolarHBondContact O-CB 3.44Å; F76-L80 PolarHBondContact O-N 3.46Å; W77-L80 HydrophobicContact CE3-CD2 3.92Å; W77-L80 HydrophobicContact CZ3-CD2 4.01Å; W77-L80 WeakPolarHBondContact O-CB 3.23Å; W77-L80 PolarHBondContact O-N 3.37Å; D78-L80 VanDerWaalsContact C-N 3.35Å; L80-L82 PolarHBondContact O-N 3.37Å; L80-M83 HydrophobicContact CD1-CE 4.31Å; L80-M83 PolarHBondContact O-N 3.28Å; L80-L112 HydrophobicContact CD2-CD1 3.84Å
81	F	91.3	Very high	87.9	Confident	4 Å²	4	65 Å²	65	2%	0.018	31%	0.313	C	S	.	.	H	α-helix	trans	-74.1	-10.9	-175.7	-62.9	-52.8	0	0	0	114	W77 H115 C116 A119 K127 N130 A131	W77-F81 HydrophobicContact CB-CE2 4.19Å; W77-F81 WeakPolarHBondContact O-CD2 3.47Å; W77-F81 PolarHBondContact O-N 3.45Å; F81-H115 HydrophobicContact CE2-CB 3.95Å; F81-H115 HydrophobicContact CZ-CB 4.15Å; F81-C116 HydrophobicContact CE1-CB 4.46Å; F81-C116 VanDerWaalsContact CE1-SG 3.56Å; F81-C116 HydrophobicContact CZ-CB 4.32Å; F81-A119 HydrophobicContact CD2-CB 3.95Å; F81-A119 HydrophobicContact CE2-CB 4.06Å; F81-A119 HydrophobicContact CG-CB 4.36Å; F81-K127 HydrophobicContact CB-CB 3.98Å; F81-K127 HydrophobicContact CB-CD 4.46Å; F81-K127 HydrophobicContact CB-CG 3.9Å; F81-K127 WeakPolarHBondContact O-CA 3.11Å; F81-N130 WeakPolarHBondContact O-CB 3.34Å; F81-N130 PolarHBondContact O-ND2 3.46Å; F81-A131 HydrophobicContact CD1-CB 4.06Å; F81-A131 HydrophobicContact CE1-CB 4.07Å
82	L	90.3	Very high	88.2	Confident	85 Å²	85	60.3 Å²	60.3	45%	0.445	30%	0.299	S	S	.	.	H	α-helix	trans	-81.4	-17.7	169	-72.2	168.3	0	0	0	112.8	D78 E79 L80 K127	D78-L82 WeakPolarHBondContact O-CD1 3.48Å; D78-L82 VanDerWaalsContact O-CG 3.31Å; D78-L82 WeakPolarHBondContact O-CG 3.37Å; D78-L82 PolarHBondContact O-N 2.98Å; E79-L82 PolarHBondContact O-N 3.46Å; L80-L82 PolarHBondContact O-N 3.37Å; L82-K127 HydrophobicContact CD2-CG 4.14Å; L82-K127 HydrophobicContact CG-CG 4.41Å
83	M	88.3	Confident	88.6	Confident	34 Å²	34	57 Å²	57	17%	0.167	28%	0.279	C	S	.	.	S	Bend	trans	-90.6	145.6	-179	-66.5	-167.2	-62	0	0	112.4	K55 V56 M59 E79 L80 V85 N130	K55-M83 HydrophobicContact CB-SD 3.72Å; K55-M83 HydrophobicContact CD-SD 3.75Å; K55-M83 HydrophobicContact CG-CE 4.29Å; K55-M83 HydrophobicContact CG-SD 3.67Å; V56-M83 VanDerWaalsContact CA-CE 3.41Å; V56-M83 HydrophobicContact CB-CB 4.16Å; V56-M83 HydrophobicContact CB-CE 3.8Å; V56-M83 HydrophobicContact CB-SD 4.18Å; V56-M83 HydrophobicContact CG2-CB 4.23Å; V56-M83 HydrophobicContact CG2-CE 4.07Å; M59-M83 HydrophobicContact CB-CE 4.26Å; M59-M83 HydrophobicContact CE-CE 4.3Å; M59-M83 HydrophobicContact CG-CE 4.02Å; M59-M83 HydrophobicContact SD-CE 3.11Å; M59-M83 WeakPolarHBondContact SD-CE 3.47Å; M59-M83 HydrophobicContact SD-SD 4.31Å; E79-M83 WeakPolarHBondContact O-CG 3.36Å; L80-M83 HydrophobicContact CD1-CE 4.31Å; L80-M83 PolarHBondContact O-N 3.28Å; M83-V85 PolarHBondContact O-N 3.48Å; M83-N130 PolarHBondContact O-ND2 3.13Å
84	K	86.7	Confident	88.7	Confident	133 Å²	133	54.6 Å²	54.6	58%	0.578	27%	0.266	S	S	*	.	P	Polyproline II helix	trans	-59.1	128.2	174.2	-174.6	-176.1	-177.8	177.8	0	110.6	N86	K84-N86 PolarHBondContact O-N 3.33Å
85	V	87.4	Confident	88.7	Confident	13 Å²	13	53.4 Å²	53.4	8%	0.079	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-67.4	126.5	-179.8	-176.6	0	0	0	0	110.7	Y60 M83 L87 N130 Q133	Y60-V85 WeakPolarHBondContact OH-CG1 3.38Å; M83-V85 PolarHBondContact O-N 3.48Å; V85-L87 HydrophobicContact CG1-CD2 3.62Å; V85-L87 HydrophobicContact CG1-CG 4.01Å; V85-L87 PolarHBondContact O-N 2.93Å; V85-N130 HydrophobicContact CG2-CB 3.74Å; V85-N130 WeakPolarHBondContact CG2-O 3.27Å; V85-Q133 HydrophobicContact CB-CB 4.14Å; V85-Q133 HydrophobicContact CG1-CB 4.22Å; V85-Q133 HydrophobicContact CG2-CB 3.88Å
86	N	89.2	Confident	88.5	Confident	41 Å²	41	48.2 Å²	48.2	22%	0.219	24%	0.241	C	C	.	.			trans	-92.8	87.6	167	-166.4	-40.1	0	0	0	109.4	E54 V56 V57 Y60 K84 Y89 L90	E54-N86 PolarHBondContact OE2-ND2 2.75Å; V56-N86 HydrophobicContact CG1-CB 4.01Å; V57-N86 HydrophobicContact CG2-CB 4.44Å; Y60-N86 HydrophobicContact CE2-CB 4.24Å; K84-N86 PolarHBondContact O-N 3.33Å; N86-Y89 VanDerWaalsContact OD1-CB 3.26Å; N86-Y89 WeakPolarHBondContact OD1-CB 3.39Å; N86-Y89 PolarHBondContact OD1-N 3.03Å; N86-Y89 VanDerWaalsContact OD1-N 3.09Å; N86-L90 PolarHBondContact O-N 3.38Å
87	L	87.4	Confident	88	Confident	18 Å²	18	48.7 Å²	48.7	9%	0.094	24%	0.244	C	C	.	.	H	α-helix	trans	-61	-47.8	-175	-66.7	170.5	0	0	0	112.1	V85 Y89 L90 E91 Q133 A137 L704	V85-L87 HydrophobicContact CG1-CD2 3.62Å; V85-L87 HydrophobicContact CG1-CG 4.01Å; V85-L87 PolarHBondContact O-N 2.93Å; L87-Y89 VanDerWaalsContact C-N 3.33Å; L87-Y89 PolarHBondContact O-N 2.96Å; L87-L90 PolarHBondContact O-N 2.73Å; L87-E91 WeakPolarHBondContact O-CB 3.48Å; L87-E91 WeakPolarHBondContact O-CG 3.03Å; L87-E91 PolarHBondContact O-N 3.5Å; L87-Q133 HydrophobicContact CD2-CB 4.23Å; L87-Q133 WeakPolarHBondContact CD2-O 3.33Å; L87-A137 HydrophobicContact CD2-CB 3.79Å; L87-L704 HydrophobicContact CD1-CB 3.57Å; L87-L704 HydrophobicContact CD1-CD1 4.15Å; L87-L704 HydrophobicContact CD2-CD1 4.14Å
88	E	87.3	Confident	87.3	Confident	155 Å²	155	52.9 Å²	52.9	72%	0.724	27%	0.268	S	S	*	.	H	α-helix	trans	-60.5	-42.8	-177.8	-174.2	178.8	-177.3	0	0	111.5	S92	E88-S92 WeakPolarHBondContact O-CB 3.45Å; E88-S92 PolarHBondContact O-N 3.43Å; E88-S92 PolarHBondContact O-OG 3.25Å
89	Y	89.8	Confident	86.6	Confident	58 Å²	58	52.2 Å²	52.2	23%	0.227	28%	0.278	C	S	.	.	H	α-helix	trans	-63.5	-47.8	176.3	-172.2	-98.1	0	0	0	111.8	V57 Y60 D61 N86 L87 K93	V57-Y89 HydrophobicContact CG1-CD1 4.1Å; V57-Y89 HydrophobicContact CG1-CD2 4.03Å; V57-Y89 HydrophobicContact CG1-CE1 3.76Å; V57-Y89 HydrophobicContact CG1-CE2 3.71Å; V57-Y89 HydrophobicContact CG1-CG 4.22Å; V57-Y89 HydrophobicContact CG2-CD1 4.33Å; V57-Y89 HydrophobicContact CG2-CD2 4.43Å; V57-Y89 HydrophobicContact CG2-CG 4.13Å; Y60-Y89 AromaticContact CD2-CD1 3.86Å; Y60-Y89 HydrophobicContact CD2-CD1 3.86Å; Y60-Y89 HydrophobicContact CG-CD1 4.45Å; D61-Y89 VanDerWaalsContact CG-OH 3.29Å; D61-Y89 PolarHBondContact OD1-OH 3Å; D61-Y89 PolarHBondContact OD2-OH 3.2Å; N86-Y89 VanDerWaalsContact OD1-CB 3.26Å; N86-Y89 WeakPolarHBondContact OD1-CB 3.39Å; N86-Y89 PolarHBondContact OD1-N 3.03Å; N86-Y89 VanDerWaalsContact OD1-N 3.09Å; L87-Y89 VanDerWaalsContact C-N 3.33Å; L87-Y89 PolarHBondContact O-N 2.96Å; Y89-K93 HydrophobicContact CE1-CB 4.45Å; Y89-K93 WeakPolarHBondContact O-CB 3.41Å; Y89-K93 PolarHBondContact O-N 3.3Å
90	L	88.8	Confident	85.7	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-65.6	-44.9	-175.9	-177.1	58.6	0	0	0	111.8	Y60 F64 N86 L87 K93 L94 T134 A137	Y60-L90 HydrophobicContact CD1-CD1 4.22Å; Y60-L90 HydrophobicContact CE1-CD1 4.39Å; Y60-L90 HydrophobicContact CE1-CD2 4.22Å; Y60-L90 HydrophobicContact CE2-CB 4.25Å; Y60-L90 HydrophobicContact CG-CD1 4.45Å; F64-L90 HydrophobicContact CE2-CD1 3.6Å; F64-L90 HydrophobicContact CZ-CD1 3.8Å; N86-L90 PolarHBondContact O-N 3.38Å; L87-L90 PolarHBondContact O-N 2.73Å; L90-K93 PolarHBondContact O-N 2.88Å; L90-L94 HydrophobicContact CD1-CD1 4.46Å; L90-L94 HydrophobicContact CG-CD1 4.4Å; L90-L94 WeakPolarHBondContact O-CG 2.97Å; L90-L94 PolarHBondContact O-N 2.82Å; L90-T134 HydrophobicContact CD2-CG2 3.88Å; L90-A137 HydrophobicContact CB-CB 4.38Å; L90-A137 HydrophobicContact CD2-CB 3.72Å; L90-A137 HydrophobicContact CG-CB 4.15Å
91	E	88.9	Confident	84.9	Confident	29 Å²	29	59.5 Å²	59.5	14%	0.136	31%	0.312	C	S	.	.	H	α-helix	trans	-61.7	-51.4	176	-70.5	-179	-171.3	0	0	111.1	L87 K93 L94 E95 A137 R140	L87-E91 WeakPolarHBondContact O-CB 3.48Å; L87-E91 WeakPolarHBondContact O-CG 3.03Å; L87-E91 PolarHBondContact O-N 3.5Å; E91-K93 VanDerWaalsContact C-N 3.28Å; E91-K93 PolarHBondContact O-N 3.24Å; E91-L94 PolarHBondContact O-N 3.27Å; E91-E95 PolarHBondContact O-N 3.06Å; E91-A137 HydrophobicContact CG-CB 3.99Å; E91-R140 HydrophobicContact CG-CB 4.24Å; E91-R140 WeakPolarHBondContact OE1-CD 3.49Å
92	S	87.5	Confident	84.2	Confident	59 Å²	59	60.2 Å²	60.2	41%	0.413	32%	0.316	S	S	.	.	H	α-helix	trans	-61.6	-36.8	179.1	-57.3	0	0	0	0	112.1	E88 E95 S96	E88-S92 WeakPolarHBondContact O-CB 3.45Å; E88-S92 PolarHBondContact O-N 3.43Å; E88-S92 PolarHBondContact O-OG 3.25Å; S92-E95 PolarHBondContact O-N 2.99Å; S92-S96 WeakPolarHBondContact O-CB 3.41Å; S92-S96 PolarHBondContact O-N 2.84Å; S92-S96 PolarHBondContact O-OG 3.33Å
93	K	88.2	Confident	83.6	Confident	61 Å²	61	63.1 Å²	63.1	27%	0.265	33%	0.328	S	S	.	.	H	α-helix	trans	-66.8	-45.2	178.8	-171.8	64.3	177.8	179.8	0	110.8	F64 Y89 L90 E91 E95 S96 V97	F64-K93 HydrophobicContact CD1-CG 3.99Å; F64-K93 HydrophobicContact CD2-CG 3.62Å; F64-K93 HydrophobicContact CE1-CG 4.17Å; F64-K93 HydrophobicContact CE2-CB 4.32Å; F64-K93 HydrophobicContact CE2-CG 3.83Å; F64-K93 HydrophobicContact CG-CG 3.78Å; F64-K93 HydrophobicContact CZ-CB 4.48Å; F64-K93 HydrophobicContact CZ-CG 4.12Å; Y89-K93 HydrophobicContact CE1-CB 4.45Å; Y89-K93 WeakPolarHBondContact O-CB 3.41Å; Y89-K93 PolarHBondContact O-N 3.3Å; L90-K93 PolarHBondContact O-N 2.88Å; E91-K93 VanDerWaalsContact C-N 3.28Å; E91-K93 PolarHBondContact O-N 3.24Å; K93-E95 VanDerWaalsContact C-N 3.32Å; K93-E95 PolarHBondContact O-N 3.29Å; K93-S96 PolarHBondContact O-N 3.42Å; K93-S96 PolarHBondContact O-OG 2.86Å; K93-V97 WeakPolarHBondContact O-CG2 3.45Å; K93-V97 PolarHBondContact O-N 2.96Å
94	L	85.8	Confident	83.2	Confident	1 Å²	1	67.6 Å²	67.6	1%	0.005	34%	0.342	C	S	.	.	H	α-helix	trans	-60.5	-40.9	176.5	-78.1	163.7	0	0	0	112.7	F64 L90 E91 I109 L138 K145 M157	F64-L94 HydrophobicContact CE1-CD2 3.68Å; F64-L94 HydrophobicContact CE1-CG 4.08Å; F64-L94 HydrophobicContact CZ-CD2 3.76Å; F64-L94 HydrophobicContact CZ-CG 3.8Å; L90-L94 HydrophobicContact CD1-CD1 4.46Å; L90-L94 HydrophobicContact CG-CD1 4.4Å; L90-L94 WeakPolarHBondContact O-CG 2.97Å; L90-L94 PolarHBondContact O-N 2.82Å; E91-L94 PolarHBondContact O-N 3.27Å; L94-I109 HydrophobicContact CD2-CD1 4.02Å; L94-L138 HydrophobicContact CD1-CD2 3.91Å; L94-K145 PolarHBondContact O-NZ 3.41Å; L94-M157 HydrophobicContact CD2-CE 3.97Å
95	E	84.9	Confident	83.2	Confident	92 Å²	92	61.6 Å²	61.6	43%	0.43	32%	0.317	S	S	.	.	H	α-helix	trans	-62.8	-42.2	175.2	-171.3	177.7	-155.3	0	0	111.2	E91 S92 K93 V97 Q144	E91-E95 PolarHBondContact O-N 3.06Å; S92-E95 PolarHBondContact O-N 2.99Å; K93-E95 VanDerWaalsContact C-N 3.32Å; K93-E95 PolarHBondContact O-N 3.29Å; E95-V97 PolarHBondContact O-N 3.01Å; E95-Q144 HydrophobicContact CG-CB 4.41Å
96	S	84.4	Confident	83.1	Confident	70 Å²	70	62.5 Å²	62.5	49%	0.49	32%	0.32	S	S	.	.	H	α-helix	trans	-72.8	-18.6	-175.7	73.2	0	0	0	0	116.1	S92 K93	S92-S96 WeakPolarHBondContact O-CB 3.41Å; S92-S96 PolarHBondContact O-N 2.84Å; S92-S96 PolarHBondContact O-OG 3.33Å; K93-S96 PolarHBondContact O-N 3.42Å; K93-S96 PolarHBondContact O-OG 2.86Å
97	V	80.9	Confident	83.1	Confident	11 Å²	11	66 Å²	66	7%	0.067	34%	0.339	C	S	.	.			trans	-73.8	133.9	-173.9	171.9	0	0	0	0	110	F64 K93 E95 E101 V102 I105 K145	F64-V97 HydrophobicContact CD1-CG2 3.92Å; F64-V97 HydrophobicContact CE1-CG2 4.27Å; K93-V97 WeakPolarHBondContact O-CG2 3.45Å; K93-V97 PolarHBondContact O-N 2.96Å; E95-V97 PolarHBondContact O-N 3.01Å; V97-E101 HydrophobicContact CG1-CB 3.55Å; V97-V102 HydrophobicContact CB-CG2 4.5Å; V97-V102 HydrophobicContact CG1-CG2 3.71Å; V97-I105 HydrophobicContact CG1-CD1 3.79Å; V97-I105 HydrophobicContact CG2-CD1 4.19Å; V97-K145 WeakPolarHBondContact O-CE 3.38Å; V97-K145 PolarHBondContact O-NZ 3.48Å
98	N	76.7	Confident	83.3	Confident	109 Å²	109	65.7 Å²	65.7	58%	0.583	34%	0.337	S	S	*	.			trans	-81.9	163.9	180	-67.4	-38.3	0	0	0	113	E100 E101 V102	N98-E100 PolarHBondContact O-N 3.41Å; N98-E101 PolarHBondContact N-OE2 3.2Å; N98-E101 VanDerWaalsContact N-OE2 3.12Å; N98-E101 WeakPolarHBondContact O-CB 3.31Å; N98-E101 PolarHBondContact O-N 3.24Å; N98-V102 WeakPolarHBondContact O-CG2 3.04Å; N98-V102 PolarHBondContact O-N 3.22Å
99	G	72.7	Confident	83.5	Confident	55 Å²	55	58.4 Å²	58.4	57%	0.567	30%	0.303	S	S	*	.	H	α-helix	trans	-56	-41.1	-176.2	0	0	0	0	0	115.3	E101 V102 Q103	G99-E101 VanDerWaalsContact C-N 3.34Å; G99-V102 PolarHBondContact O-N 2.93Å; G99-Q103 PolarHBondContact O-N 3.4Å
100	E	71.9	Confident	83.6	Confident	135 Å²	135	56.3 Å²	56.3	63%	0.631	30%	0.296	S	S	*	.	H	α-helix	trans	-68.9	-31.3	174.9	-68.9	-171.2	-174.6	0	0	113.3	N98 R104	N98-E100 PolarHBondContact O-N 3.41Å; E100-R104 WeakPolarHBondContact O-CG 3.47Å; E100-R104 IonicContact OE2-NH2 2.79Å; E100-R104 PolarHBondContact OE2-NH2 3.37Å
101	E	75.2	Confident	83.7	Confident	87 Å²	87	58.1 Å²	58.1	41%	0.407	31%	0.309	S	S	.	.	H	α-helix	trans	-74.2	-37.9	178.1	-66.8	177.3	157.5	0	0	110.4	V97 N98 G99 Q103 R104 I105	V97-E101 HydrophobicContact CG1-CB 3.55Å; N98-E101 PolarHBondContact N-OE2 3.2Å; N98-E101 VanDerWaalsContact N-OE2 3.12Å; N98-E101 WeakPolarHBondContact O-CB 3.31Å; N98-E101 PolarHBondContact O-N 3.24Å; G99-E101 VanDerWaalsContact C-N 3.34Å; E101-Q103 VanDerWaalsContact C-N 3.32Å; E101-Q103 PolarHBondContact O-N 3.18Å; E101-R104 PolarHBondContact O-N 3.33Å; E101-I105 WeakPolarHBondContact O-CG1 3.25Å; E101-I105 PolarHBondContact O-N 2.83Å
102	V	75.8	Confident	84	Confident	18 Å²	18	56.8 Å²	56.8	11%	0.109	30%	0.302	C	S	.	.	H	α-helix	trans	-53.3	-49.3	174.3	173.5	0	0	0	0	111.2	V97 N98 G99 R104 I105 Q106 K145 M157	V97-V102 HydrophobicContact CB-CG2 4.5Å; V97-V102 HydrophobicContact CG1-CG2 3.71Å; N98-V102 WeakPolarHBondContact O-CG2 3.04Å; N98-V102 PolarHBondContact O-N 3.22Å; G99-V102 PolarHBondContact O-N 2.93Å; V102-R104 PolarHBondContact O-N 3.07Å; V102-I105 CarbonylContact O-C 3.53Å; V102-I105 WeakPolarHBondContact O-CG1 3.28Å; V102-I105 PolarHBondContact O-N 3.18Å; V102-I105 VanDerWaalsContact O-N 3.16Å; V102-Q106 WeakPolarHBondContact O-CA 3.46Å; V102-Q106 VanDerWaalsContact O-CB 3.32Å; V102-Q106 WeakPolarHBondContact O-CB 3.38Å; V102-Q106 PolarHBondContact O-N 3.16Å; V102-K145 HydrophobicContact CG2-CD 4.29Å; V102-M157 HydrophobicContact CG1-CE 4.09Å; V102-M157 HydrophobicContact CG1-CG 4.1Å; V102-M157 HydrophobicContact CG1-SD 4.07Å; V102-M157 HydrophobicContact CG2-CE 4.12Å
103	Q	77.2	Confident	84.3	Confident	147 Å²	147	54 Å²	54	69%	0.687	28%	0.283	S	S	*	.	H	α-helix	trans	-59	-32.3	179.7	-71.5	-176.5	-6	0	0	112.6	G99 E101	G99-Q103 PolarHBondContact O-N 3.4Å; E101-Q103 VanDerWaalsContact C-N 3.32Å; E101-Q103 PolarHBondContact O-N 3.18Å
104	R	80.4	Confident	84.6	Confident	127 Å²	127	53.6 Å²	53.6	48%	0.479	28%	0.282	S	S	.	.	H	α-helix	trans	-80.2	-26.9	-179.4	-63.2	-179.9	-163.4	150.5	7.1	113.4	E100 E101 V102	E100-R104 WeakPolarHBondContact O-CG 3.47Å; E100-R104 IonicContact OE2-NH2 2.79Å; E100-R104 PolarHBondContact OE2-NH2 3.37Å; E101-R104 PolarHBondContact O-N 3.33Å; V102-R104 PolarHBondContact O-N 3.07Å
105	I	86	Confident	85.1	Confident	7 Å²	7	55.9 Å²	55.9	4%	0.036	29%	0.292	C	S	.	.	H	α-helix	trans	-103.2	-1.6	179.7	68.6	171.1	0	0	0	112.7	F64 V97 E101 V102 D107 N108 I109	F64-I105 HydrophobicContact CD1-CD1 3.42Å; F64-I105 VanDerWaalsContact CD1-CD1 3.42Å; F64-I105 HydrophobicContact CE1-CD1 3.88Å; F64-I105 HydrophobicContact CG-CD1 4.49Å; V97-I105 HydrophobicContact CG1-CD1 3.79Å; V97-I105 HydrophobicContact CG2-CD1 4.19Å; E101-I105 WeakPolarHBondContact O-CG1 3.25Å; E101-I105 PolarHBondContact O-N 2.83Å; V102-I105 CarbonylContact O-C 3.53Å; V102-I105 WeakPolarHBondContact O-CG1 3.28Å; V102-I105 PolarHBondContact O-N 3.18Å; V102-I105 VanDerWaalsContact O-N 3.16Å; I105-D107 VanDerWaalsContact C-N 3.27Å; I105-D107 PolarHBondContact O-N 3.46Å; I105-N108 WeakPolarHBondContact O-CA 3.06Å; I105-N108 WeakPolarHBondContact O-CB 3.48Å; I105-N108 PolarHBondContact O-N 3.31Å; I105-I109 HydrophobicContact CD1-CD1 3.81Å; I105-I109 HydrophobicContact CD1-CG1 4.41Å; I105-I109 HydrophobicContact CG1-CD1 3.93Å; I105-I109 HydrophobicContact CG1-CG1 4.41Å; I105-I109 PolarHBondContact O-N 3.39Å
106	Q	86.9	Confident	85.6	Confident	33 Å²	33	51.5 Å²	51.5	15%	0.154	27%	0.272	C	S	.	.	H	α-helix	trans	-56.6	-42.5	-174.1	-174.9	-179.1	-11.8	0	0	111.4	V102 N108 I109 N110 N156	V102-Q106 WeakPolarHBondContact O-CA 3.46Å; V102-Q106 VanDerWaalsContact O-CB 3.32Å; V102-Q106 WeakPolarHBondContact O-CB 3.38Å; V102-Q106 PolarHBondContact O-N 3.16Å; Q106-N108 VanDerWaalsContact C-N 3.29Å; Q106-N108 PolarHBondContact O-N 3.21Å; Q106-I109 PolarHBondContact O-N 3Å; Q106-N110 VanDerWaalsContact O-CB 3.28Å; Q106-N110 WeakPolarHBondContact O-CB 3.46Å; Q106-N110 PolarHBondContact O-N 3.24Å; Q106-N156 VanDerWaalsContact NE2-CG 3.27Å; Q106-N156 PolarHBondContact NE2-ND2 2.88Å; Q106-N156 PolarHBondContact NE2-O 3.24Å; Q106-N156 PolarHBondContact NE2-OD1 3.38Å
107	D	88.8	Confident	86.1	Confident	115 Å²	115	48.4 Å²	48.4	62%	0.615	25%	0.25	S	S	*	.	H	α-helix	trans	-64.4	-34.3	177.8	-69.7	-29.5	0	0	0	112.6	I105 S111	I105-D107 VanDerWaalsContact C-N 3.27Å; I105-D107 PolarHBondContact O-N 3.46Å; D107-S111 WeakPolarHBondContact O-CB 3.47Å; D107-S111 PolarHBondContact O-N 3.3Å; D107-S111 PolarHBondContact O-OG 3.16Å
108	N	91.1	Very high	86.7	Confident	11 Å²	11	52.4 Å²	52.4	6%	0.059	27%	0.268	C	S	.	.	H	α-helix	trans	-70.5	-41.3	175.2	-71.3	-4.1	0	0	0	111.3	I63 A65 E67 I105 Q106 S111 L112	I63-N108 HydrophobicContact CG2-CB 4.19Å; I63-N108 VanDerWaalsContact O-CB 3.23Å; I63-N108 WeakPolarHBondContact O-CB 3.17Å; I63-N108 PolarHBondContact O-ND2 2.89Å; A65-N108 PolarHBondContact O-ND2 3.15Å; A65-N108 VanDerWaalsContact O-ND2 3.09Å; E67-N108 PolarHBondContact O-ND2 2.95Å; I105-N108 WeakPolarHBondContact O-CA 3.06Å; I105-N108 WeakPolarHBondContact O-CB 3.48Å; I105-N108 PolarHBondContact O-N 3.31Å; Q106-N108 VanDerWaalsContact C-N 3.29Å; Q106-N108 PolarHBondContact O-N 3.21Å; N108-S111 PolarHBondContact O-N 3.03Å; N108-L112 WeakPolarHBondContact O-CB 3.29Å; N108-L112 PolarHBondContact O-N 2.94Å
109	I	90.8	Very high	87.5	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-63.8	-45.4	174.1	-63.2	174.8	0	0	0	110.2	L94 I105 Q106 S111 L112 F113 M157 L158	L94-I109 HydrophobicContact CD2-CD1 4.02Å; I105-I109 HydrophobicContact CD1-CD1 3.81Å; I105-I109 HydrophobicContact CD1-CG1 4.41Å; I105-I109 HydrophobicContact CG1-CD1 3.93Å; I105-I109 HydrophobicContact CG1-CG1 4.41Å; I105-I109 PolarHBondContact O-N 3.39Å; Q106-I109 PolarHBondContact O-N 3Å; I109-S111 PolarHBondContact O-N 2.83Å; I109-L112 PolarHBondContact O-N 3.4Å; I109-F113 PolarHBondContact O-N 2.88Å; I109-M157 HydrophobicContact CD1-CE 3.8Å; I109-M157 WeakPolarHBondContact CG2-O 3.49Å; I109-L158 HydrophobicContact CG2-CD2 4.21Å
110	N	92.3	Very high	88.5	Confident	15 Å²	15	44.9 Å²	44.9	8%	0.08	22%	0.215	C	C	.	.	H	α-helix	trans	-58	-37.8	174.8	-75.7	-10.9	0	0	0	111.6	Q106 H114 M157 L158 M159 G160 R167	Q106-N110 VanDerWaalsContact O-CB 3.28Å; Q106-N110 WeakPolarHBondContact O-CB 3.46Å; Q106-N110 PolarHBondContact O-N 3.24Å; N110-H114 WeakPolarHBondContact O-CB 3.48Å; N110-H114 PolarHBondContact O-N 3.35Å; N110-H114 VanDerWaalsContact O-N 3.16Å; N110-M157 PolarHBondContact OD1-O 3.48Å; N110-L158 WeakPolarHBondContact CA-O 3.43Å; N110-L158 PolarHBondContact OD1-O 2.92Å; N110-M159 WeakPolarHBondContact OD1-CA 3.46Å; N110-M159 PolarHBondContact OD1-N 3.26Å; N110-G160 PolarHBondContact OD1-N 3.43Å; N110-R167 VanDerWaalsContact O-CZ 3.25Å; N110-R167 PolarHBondContact O-NH1 2.97Å; N110-R167 PolarHBondContact O-NH2 3.32Å; N110-R167 VanDerWaalsContact O-NH2 3.12Å
111	S	92	Very high	89.3	Confident	38 Å²	38	40.4 Å²	40.4	27%	0.266	21%	0.205	S	C	.	.	H	α-helix	trans	-73.2	-42.3	177.7	-60.7	0	0	0	0	111.5	D107 N108 I109 F113 H114 H115	D107-S111 WeakPolarHBondContact O-CB 3.47Å; D107-S111 PolarHBondContact O-N 3.3Å; D107-S111 PolarHBondContact O-OG 3.16Å; N108-S111 PolarHBondContact O-N 3.03Å; I109-S111 PolarHBondContact O-N 2.83Å; S111-F113 PolarHBondContact O-N 3.33Å; S111-H114 PolarHBondContact O-N 3.3Å; S111-H115 PolarHBondContact O-CD2 3.43Å; S111-H115 VanDerWaalsContact O-CD2 3.24Å; S111-H115 PolarHBondContact O-N 3.35Å
112	L	94.1	Very high	89.9	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-57.5	-48.4	173.5	172.8	61.6	0	0	0	111.1	I63 W77 L80 N108 I109 H114 H115 C116 T134 L138	I63-L112 HydrophobicContact CD1-CD1 4.17Å; I63-L112 HydrophobicContact CD1-CD2 4.19Å; I63-L112 HydrophobicContact CG2-CD2 4.32Å; W77-L112 HydrophobicContact CE3-CD1 4.32Å; W77-L112 HydrophobicContact CH2-CB 3.92Å; W77-L112 HydrophobicContact CZ3-CB 3.86Å; W77-L112 HydrophobicContact CZ3-CD1 3.62Å; W77-L112 HydrophobicContact CZ3-CG 4.34Å; L80-L112 HydrophobicContact CD2-CD1 3.84Å; N108-L112 WeakPolarHBondContact O-CB 3.29Å; N108-L112 PolarHBondContact O-N 2.94Å; I109-L112 PolarHBondContact O-N 3.4Å; L112-H114 VanDerWaalsContact C-N 3.34Å; L112-H114 PolarHBondContact O-N 3.22Å; L112-H115 PolarHBondContact O-N 3.13Å; L112-C116 PolarHBondContact O-N 3.05Å; L112-C116 PolarHBondContact O-SG 2.95Å; L112-T134 HydrophobicContact CD1-CG2 3.97Å; L112-T134 HydrophobicContact CD2-CG2 4.22Å; L112-T134 HydrophobicContact CG-CG2 4.31Å; L112-L138 HydrophobicContact CD2-CD1 4.23Å; L112-L138 HydrophobicContact CD2-CD2 3.87Å; L112-L138 HydrophobicContact CD2-CG 4.43Å; L112-L138 HydrophobicContact CG-CD1 4.21Å
113	F	94.8	Very high	90.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-57.3	-48	176.6	-175.6	-82.6	0	0	0	111.4	I109 S111 H115 C116 V117 L135 L138 F139 L158 M159 R167 M168 L171	I109-F113 PolarHBondContact O-N 2.88Å; S111-F113 PolarHBondContact O-N 3.33Å; F113-H115 PolarHBondContact O-N 2.92Å; F113-C116 WeakPolarHBondContact O-CB 3.41Å; F113-C116 PolarHBondContact O-N 3.23Å; F113-V117 HydrophobicContact CD1-CG2 4.03Å; F113-V117 HydrophobicContact CE1-CG2 3.62Å; F113-V117 HydrophobicContact CZ-CG2 4.2Å; F113-V117 WeakPolarHBondContact O-CG2 3.17Å; F113-V117 PolarHBondContact O-N 2.91Å; F113-L135 HydrophobicContact CD2-CD2 3.65Å; F113-L135 HydrophobicContact CE2-CD2 3.65Å; F113-L135 HydrophobicContact CG-CD2 4.3Å; F113-L135 HydrophobicContact CZ-CD2 4.29Å; F113-L138 HydrophobicContact CB-CD1 4.31Å; F113-L138 HydrophobicContact CD2-CD1 4.29Å; F113-F139 HydrophobicContact CE2-CE2 4.09Å; F113-F139 AromaticContact CE2-CZ 3.77Å; F113-F139 HydrophobicContact CE2-CZ 3.77Å; F113-F139 HydrophobicContact CZ-CZ 4.35Å; F113-L158 VanDerWaalsContact CB-O 3.25Å; F113-L158 WeakPolarHBondContact CB-O 3.31Å; F113-L158 HydrophobicContact CD2-CB 4.3Å; F113-M159 HydrophobicContact CD1-CE 4.15Å; F113-M159 HydrophobicContact CE1-CE 3.29Å; F113-M159 HydrophobicContact CE1-CG 4.48Å; F113-M159 HydrophobicContact CE2-CE 4.48Å; F113-M159 HydrophobicContact CZ-CE 3.49Å; F113-M159 VanDerWaalsContact CZ-CE 3.49Å; F113-M159 HydrophobicContact CZ-SD 4.48Å; F113-R167 HydrophobicContact CE1-CB 4.23Å; F113-M168 HydrophobicContact CZ-SD 4.5Å; F113-L171 HydrophobicContact CZ-CD2 3.91Å
114	H	94.6	Very high	90.7	Very high	52 Å²	52	44.6 Å²	44.6	24%	0.241	22%	0.223	C	C	.	.	H	α-helix	trans	-60.3	-46.8	-180	176.2	60.8	0	0	0	112.9	N110 S111 L112 C116 V117 Q118	N110-H114 WeakPolarHBondContact O-CB 3.48Å; N110-H114 PolarHBondContact O-N 3.35Å; N110-H114 VanDerWaalsContact O-N 3.16Å; S111-H114 PolarHBondContact O-N 3.3Å; L112-H114 VanDerWaalsContact C-N 3.34Å; L112-H114 PolarHBondContact O-N 3.22Å; H114-C116 VanDerWaalsContact C-N 3.31Å; H114-C116 PolarHBondContact O-N 3.03Å; H114-V117 PolarHBondContact O-N 3.38Å; H114-Q118 PolarHBondContact CE1-NE2 3.42Å; H114-Q118 VanDerWaalsContact CE1-NE2 3.33Å; H114-Q118 PolarHBondContact NE2-NE2 3.46Å; H114-Q118 WeakPolarHBondContact O-CG 3.33Å; H114-Q118 PolarHBondContact O-N 3.43Å
115	H	94.7	Very high	91	Very high	50 Å²	50	41.8 Å²	41.8	23%	0.231	22%	0.215	C	C	.	.	H	α-helix	trans	-69.2	-30.3	178.8	-76.9	-63.4	0	0	0	112.4	W77 F81 S111 L112 F113 Q118 A119	W77-H115 HydrophobicContact CB-CB 4.38Å; W77-H115 AromaticContact CD1-CD2 3.42Å; W77-H115 VanDerWaalsContact CD1-CD2 3.42Å; W77-H115 AromaticContact CD1-CE1 3.75Å; W77-H115 AromaticContact CD1-CG 3.8Å; W77-H115 AromaticContact CD1-ND1 3.99Å; W77-H115 AromaticContact CD1-NE2 3.41Å; W77-H115 HydrophobicContact CD2-CB 3.99Å; W77-H115 AromaticContact CD2-CD2 3.57Å; W77-H115 AromaticContact CD2-CG 3.84Å; W77-H115 AromaticContact CE2-CD2 3.27Å; W77-H115 AromaticContact CE2-NE2 3.85Å; W77-H115 HydrophobicContact CE3-CB 4.17Å; W77-H115 HydrophobicContact CG-CB 4.09Å; W77-H115 AromaticContact CG-CD2 3.68Å; W77-H115 AromaticContact CG-CG 3.71Å; W77-H115 AromaticContact CZ2-CD2 3.86Å; W77-H115 AromaticContact NE1-CD2 3.16Å; W77-H115 PolarHBondContact NE1-CD2 3.25Å; W77-H115 AromaticContact NE1-CG 3.98Å; W77-H115 AromaticContact NE1-NE2 3.22Å; W77-H115 PolarHBondContact NE1-NE2 3.05Å; F81-H115 HydrophobicContact CE2-CB 3.95Å; F81-H115 HydrophobicContact CZ-CB 4.15Å; S111-H115 PolarHBondContact O-CD2 3.43Å; S111-H115 VanDerWaalsContact O-CD2 3.24Å; S111-H115 PolarHBondContact O-N 3.35Å; L112-H115 PolarHBondContact O-N 3.13Å; F113-H115 PolarHBondContact O-N 2.92Å; H115-Q118 PolarHBondContact ND1-OE1 3.26Å; H115-Q118 VanDerWaalsContact ND1-OE1 3.07Å; H115-Q118 PolarHBondContact O-N 3.37Å; H115-A119 WeakPolarHBondContact O-CB 3.07Å; H115-A119 PolarHBondContact O-N 3.18Å
116	C	95.8	Very high	91	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.1	-47.8	169.5	-66	0	0	0	0	110.9	F81 L112 F113 H114 Q118 A119 L120 A131 L135	F81-C116 HydrophobicContact CE1-CB 4.46Å; F81-C116 VanDerWaalsContact CE1-SG 3.56Å; F81-C116 HydrophobicContact CZ-CB 4.32Å; L112-C116 PolarHBondContact O-N 3.05Å; L112-C116 PolarHBondContact O-SG 2.95Å; F113-C116 WeakPolarHBondContact O-CB 3.41Å; F113-C116 PolarHBondContact O-N 3.23Å; H114-C116 VanDerWaalsContact C-N 3.31Å; H114-C116 PolarHBondContact O-N 3.03Å; C116-Q118 VanDerWaalsContact C-N 3.31Å; C116-Q118 PolarHBondContact O-N 3.34Å; C116-A119 PolarHBondContact O-N 3.41Å; C116-L120 WeakPolarHBondContact O-CG 3.46Å; C116-L120 PolarHBondContact O-N 3.18Å; C116-A131 HydrophobicContact CB-CB 4.26Å; C116-L135 HydrophobicContact CB-CD1 3.94Å; C116-L135 HydrophobicContact CB-CD2 3.73Å; C116-L135 HydrophobicContact CB-CG 3.58Å
117	V	95.4	Very high	91.2	Very high	5 Å²	5	43.1 Å²	43.1	3%	0.03	22%	0.222	C	C	.	.	H	α-helix	trans	-61.3	-39.4	178.4	176.2	0	0	0	0	111.7	F113 H114 L120 D170 L171	F113-V117 HydrophobicContact CD1-CG2 4.03Å; F113-V117 HydrophobicContact CE1-CG2 3.62Å; F113-V117 HydrophobicContact CZ-CG2 4.2Å; F113-V117 WeakPolarHBondContact O-CG2 3.17Å; F113-V117 PolarHBondContact O-N 2.91Å; H114-V117 PolarHBondContact O-N 3.38Å; V117-L120 WeakPolarHBondContact O-CB 3.17Å; V117-L120 PolarHBondContact O-N 3.06Å; V117-D170 HydrophobicContact CG1-CB 3.77Å; V117-L171 HydrophobicContact CG1-CB 4.26Å; V117-L171 HydrophobicContact CG2-CB 4.02Å; V117-L171 HydrophobicContact CG2-CD1 4.16Å
118	Q	94.4	Very high	91.3	Very high	94 Å²	94	37.7 Å²	37.7	44%	0.439	19%	0.193	S	C	.	.	H	α-helix	trans	-64.7	-43.7	175.1	-72.7	-176.3	-26.9	0	0	112.3	H114 H115 C116 L120 G121	H114-Q118 PolarHBondContact CE1-NE2 3.42Å; H114-Q118 VanDerWaalsContact CE1-NE2 3.33Å; H114-Q118 PolarHBondContact NE2-NE2 3.46Å; H114-Q118 WeakPolarHBondContact O-CG 3.33Å; H114-Q118 PolarHBondContact O-N 3.43Å; H115-Q118 PolarHBondContact ND1-OE1 3.26Å; H115-Q118 VanDerWaalsContact ND1-OE1 3.07Å; H115-Q118 PolarHBondContact O-N 3.37Å; C116-Q118 VanDerWaalsContact C-N 3.31Å; C116-Q118 PolarHBondContact O-N 3.34Å; Q118-L120 PolarHBondContact O-N 3.01Å; Q118-G121 PolarHBondContact O-N 2.95Å
119	A	93.6	Very high	91.2	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.008	19%	0.191	C	C	.	.	H	α-helix	trans	-62.7	-22.6	179.6	0	0	0	0	0	113.1	F81 H115 C116 G121 E122 V128 A131	F81-A119 HydrophobicContact CD2-CB 3.95Å; F81-A119 HydrophobicContact CE2-CB 4.06Å; F81-A119 HydrophobicContact CG-CB 4.36Å; H115-A119 WeakPolarHBondContact O-CB 3.07Å; H115-A119 PolarHBondContact O-N 3.18Å; C116-A119 PolarHBondContact O-N 3.41Å; A119-G121 PolarHBondContact O-N 3.24Å; A119-E122 WeakPolarHBondContact O-CB 3.45Å; A119-E122 PolarHBondContact O-N 2.93Å; A119-V128 WeakPolarHBondContact O-CG2 3.49Å; A119-A131 HydrophobicContact CB-CB 3.75Å
120	L	92.8	Very high	91.2	Very high	6 Å²	6	37.6 Å²	37.6	3%	0.031	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-20.7	173.3	-57.2	-172.6	0	0	0	113.5	C116 V117 Q118 V128 A131 L132 L135 L171 R174 L175 L178	C116-L120 WeakPolarHBondContact O-CG 3.46Å; C116-L120 PolarHBondContact O-N 3.18Å; V117-L120 WeakPolarHBondContact O-CB 3.17Å; V117-L120 PolarHBondContact O-N 3.06Å; Q118-L120 PolarHBondContact O-N 3.01Å; L120-V128 HydrophobicContact CD2-CG1 4.27Å; L120-A131 HydrophobicContact CD2-CB 4.03Å; L120-L132 HydrophobicContact CD1-CD2 4.09Å; L120-L132 HydrophobicContact CD2-CD2 3.58Å; L120-L132 HydrophobicContact CD2-CG 3.54Å; L120-L135 HydrophobicContact CD1-CD1 4.08Å; L120-L171 HydrophobicContact CD1-CD1 3.73Å; L120-R174 HydrophobicContact CB-CB 3.91Å; L120-R174 HydrophobicContact CB-CG 4.17Å; L120-R174 HydrophobicContact CD1-CB 4.08Å; L120-L175 HydrophobicContact CD1-CD2 4.41Å; L120-L178 HydrophobicContact CB-CD1 4.38Å
121	G	88.3	Confident	91.3	Very high	41 Å²	41	36.9 Å²	36.9	42%	0.423	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	4.6	176.6	0	0	0	0	0	114.2	Q118 A119	Q118-G121 PolarHBondContact O-N 2.95Å; A119-G121 PolarHBondContact O-N 3.24Å
122	E	88.9	Confident	91.3	Very high	66 Å²	66	35.1 Å²	35.1	31%	0.308	18%	0.176	S	C	.	.	S	Bend	trans	-85	150	179.7	-68.6	-173.2	-140.5	0	0	112.2	A119 H124 K127 V128	A119-E122 WeakPolarHBondContact O-CB 3.45Å; A119-E122 PolarHBondContact O-N 2.93Å; E122-H124 PolarHBondContact O-N 2.84Å; E122-K127 IonicContact OE1-NZ 3.82Å; E122-K127 WeakPolarHBondContact OE2-CD 3.42Å; E122-K127 WeakPolarHBondContact OE2-CE 3.49Å; E122-K127 IonicContact OE2-NZ 3.83Å; E122-K127 PolarHBondContact OE2-NZ 2.76Å; E122-V128 WeakPolarHBondContact O-CG2 3.48Å
123	E	83.6	Confident	91.1	Very high	189 Å²	189	35.8 Å²	35.8	88%	0.883	18%	0.18	S	C	*	.	S	Bend	trans	-69.7	-21.8	175.2	-63.1	179.9	177.2	0	0	112.5	Q125	E123-Q125 PolarHBondContact O-N 3.41Å
124	H	86.6	Confident	91	Very high	85 Å²	85	35.9 Å²	35.9	39%	0.394	18%	0.18	S	C	.	.			trans	-79	95.3	-174.9	-165.8	-56.4	0	0	0	111.6	E122 I126 K127 V128	E122-H124 PolarHBondContact O-N 2.84Å; H124-I126 VanDerWaalsContact C-N 3.29Å; H124-I126 PolarHBondContact ND1-N 2.79Å; H124-I126 PolarHBondContact O-N 3.13Å; H124-K127 HydrophobicContact CB-CB 4.46Å; H124-K127 HydrophobicContact CB-CD 4.18Å; H124-K127 HydrophobicContact CB-CG 4.27Å; H124-K127 WeakPolarHBondContact O-CB 3.46Å; H124-K127 PolarHBondContact O-N 3.48Å; H124-V128 PolarHBondContact O-N 3.02Å
125	Q	85.6	Confident	91	Very high	67 Å²	67	33.4 Å²	33.4	31%	0.313	17%	0.169	S	C	.	.	H	α-helix	trans	-51.6	-38.1	-173.3	-60.6	-63.5	-9.3	0	0	115.4	E123 K127 V128 V129 F716	E123-Q125 PolarHBondContact O-N 3.41Å; Q125-K127 VanDerWaalsContact C-N 3.3Å; Q125-K127 PolarHBondContact O-N 2.99Å; Q125-V128 WeakPolarHBondContact O-CB 3.46Å; Q125-V128 PolarHBondContact O-N 3.26Å; Q125-V129 WeakPolarHBondContact O-CG2 3.14Å; Q125-V129 PolarHBondContact O-N 3.36Å; Q125-F716 HydrophobicContact CB-CD1 3.88Å; Q125-F716 HydrophobicContact CB-CD2 4.15Å; Q125-F716 HydrophobicContact CB-CE1 3.52Å; Q125-F716 HydrophobicContact CB-CE2 3.8Å; Q125-F716 HydrophobicContact CB-CG 4.21Å; Q125-F716 HydrophobicContact CB-CZ 3.49Å; Q125-F716 VanDerWaalsContact CB-CZ 3.49Å; Q125-F716 HydrophobicContact CG-CD1 3.9Å; Q125-F716 HydrophobicContact CG-CE1 3.71Å; Q125-F716 HydrophobicContact CG-CZ 4.21Å
126	I	86.3	Confident	90.8	Very high	45 Å²	45	31 Å²	31	23%	0.231	16%	0.158	C	C	.	.	H	α-helix	trans	-61	-39.4	176.5	-57.8	-178.8	0	0	0	111.8	H124 V129 N130 L713	H124-I126 VanDerWaalsContact C-N 3.29Å; H124-I126 PolarHBondContact ND1-N 2.79Å; H124-I126 PolarHBondContact O-N 3.13Å; I126-V129 PolarHBondContact O-N 2.93Å; I126-N130 WeakPolarHBondContact CG2-ND2 3.13Å; I126-N130 WeakPolarHBondContact O-CB 3.43Å; I126-N130 VanDerWaalsContact O-CG 3.3Å; I126-N130 PolarHBondContact O-N 2.92Å; I126-N130 PolarHBondContact O-ND2 3.39Å; I126-L713 HydrophobicContact CD1-CD2 4.15Å
127	K	90.1	Very high	90.6	Very high	23 Å²	23	31 Å²	31	10%	0.1	16%	0.158	C	C	.	.	H	α-helix	trans	-67.1	-41.4	177.7	-69.4	-175.8	175.9	-173.7	0	110.8	D78 F81 L82 E122 H124 Q125 N130 A131	D78-K127 IonicContact OD1-NZ 2.77Å; D78-K127 PolarHBondContact OD1-NZ 2.58Å; F81-K127 HydrophobicContact CB-CB 3.98Å; F81-K127 HydrophobicContact CB-CD 4.46Å; F81-K127 HydrophobicContact CB-CG 3.9Å; F81-K127 WeakPolarHBondContact O-CA 3.11Å; L82-K127 HydrophobicContact CD2-CG 4.14Å; L82-K127 HydrophobicContact CG-CG 4.41Å; E122-K127 IonicContact OE1-NZ 3.82Å; E122-K127 WeakPolarHBondContact OE2-CD 3.42Å; E122-K127 WeakPolarHBondContact OE2-CE 3.49Å; E122-K127 IonicContact OE2-NZ 3.83Å; E122-K127 PolarHBondContact OE2-NZ 2.76Å; H124-K127 HydrophobicContact CB-CB 4.46Å; H124-K127 HydrophobicContact CB-CD 4.18Å; H124-K127 HydrophobicContact CB-CG 4.27Å; H124-K127 WeakPolarHBondContact O-CB 3.46Å; H124-K127 PolarHBondContact O-N 3.48Å; Q125-K127 VanDerWaalsContact C-N 3.3Å; Q125-K127 PolarHBondContact O-N 2.99Å; K127-N130 PolarHBondContact O-N 2.84Å; K127-A131 WeakPolarHBondContact O-CB 3.42Å; K127-A131 PolarHBondContact O-N 3.2Å
128	V	91.1	Very high	90.3	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.012	16%	0.157	C	C	.	.	H	α-helix	trans	-58.6	-50.1	175.2	-179	0	0	0	0	110.5	A119 L120 E122 H124 Q125 A131 L132 L178 L187	A119-V128 WeakPolarHBondContact O-CG2 3.49Å; L120-V128 HydrophobicContact CD2-CG1 4.27Å; E122-V128 WeakPolarHBondContact O-CG2 3.48Å; H124-V128 PolarHBondContact O-N 3.02Å; Q125-V128 WeakPolarHBondContact O-CB 3.46Å; Q125-V128 PolarHBondContact O-N 3.26Å; V128-A131 PolarHBondContact O-N 2.86Å; V128-L132 HydrophobicContact CG1-CD1 4.27Å; V128-L132 WeakPolarHBondContact O-CG 2.83Å; V128-L132 PolarHBondContact O-N 3.15Å; V128-L178 HydrophobicContact CG1-CD1 4.18Å; V128-L178 HydrophobicContact CG1-CD2 4.29Å; V128-L187 HydrophobicContact CG1-CD2 3.98Å
129	V	89.8	Confident	90.1	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.018	14%	0.136	C	C	.	.	H	α-helix	trans	-57.8	-52.7	177.2	171.2	0	0	0	0	111.2	Q125 I126 A131 L132 Q133 L187 L190 L712 F716	Q125-V129 WeakPolarHBondContact O-CG2 3.14Å; Q125-V129 PolarHBondContact O-N 3.36Å; I126-V129 PolarHBondContact O-N 2.93Å; V129-A131 VanDerWaalsContact C-N 3.31Å; V129-A131 PolarHBondContact O-N 3.44Å; V129-L132 PolarHBondContact O-N 2.89Å; V129-Q133 HydrophobicContact CG1-CG 4.42Å; V129-Q133 WeakPolarHBondContact O-CG 3.43Å; V129-Q133 PolarHBondContact O-N 3.47Å; V129-L187 HydrophobicContact CG2-CD2 3.54Å; V129-L187 HydrophobicContact CG2-CG 4.4Å; V129-L190 HydrophobicContact CG1-CD2 4.13Å; V129-L712 HydrophobicContact CB-CD1 4.37Å; V129-L712 HydrophobicContact CG1-CD1 3.56Å; V129-L712 HydrophobicContact CG2-CD1 4.03Å; V129-L712 HydrophobicContact CG2-CD2 3.93Å; V129-F716 HydrophobicContact CG2-CE2 4.28Å; V129-F716 HydrophobicContact CG2-CZ 4.12Å
130	N	90.7	Very high	89.8	Confident	7 Å²	7	28.5 Å²	28.5	4%	0.037	14%	0.144	C	C	.	.	H	α-helix	trans	-64.4	-39.4	-176.4	-71.8	-27.2	0	0	0	110.6	F81 M83 V85 I126 K127 Q133 T134	F81-N130 WeakPolarHBondContact O-CB 3.34Å; F81-N130 PolarHBondContact O-ND2 3.46Å; M83-N130 PolarHBondContact O-ND2 3.13Å; V85-N130 HydrophobicContact CG2-CB 3.74Å; V85-N130 WeakPolarHBondContact CG2-O 3.27Å; I126-N130 WeakPolarHBondContact CG2-ND2 3.13Å; I126-N130 WeakPolarHBondContact O-CB 3.43Å; I126-N130 VanDerWaalsContact O-CG 3.3Å; I126-N130 PolarHBondContact O-N 2.92Å; I126-N130 PolarHBondContact O-ND2 3.39Å; K127-N130 PolarHBondContact O-N 2.84Å; N130-Q133 PolarHBondContact O-N 3.04Å; N130-T134 WeakPolarHBondContact O-CB 3.17Å; N130-T134 PolarHBondContact O-N 2.88Å; N130-T134 PolarHBondContact O-OG1 3.46Å
131	A	93.3	Very high	89.4	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.5	-43.9	174.3	0	0	0	0	0	112.5	F81 C116 A119 L120 K127 V128 V129 T134 L135	F81-A131 HydrophobicContact CD1-CB 4.06Å; F81-A131 HydrophobicContact CE1-CB 4.07Å; C116-A131 HydrophobicContact CB-CB 4.26Å; A119-A131 HydrophobicContact CB-CB 3.75Å; L120-A131 HydrophobicContact CD2-CB 4.03Å; K127-A131 WeakPolarHBondContact O-CB 3.42Å; K127-A131 PolarHBondContact O-N 3.2Å; V128-A131 PolarHBondContact O-N 2.86Å; V129-A131 VanDerWaalsContact C-N 3.31Å; V129-A131 PolarHBondContact O-N 3.44Å; A131-T134 PolarHBondContact O-N 3.33Å; A131-L135 WeakPolarHBondContact O-CG 3.28Å; A131-L135 PolarHBondContact O-N 2.98Å
132	L	92.5	Very high	89.1	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.4	-44.3	174.5	-75	172.3	0	0	0	112.1	L120 V128 V129 T134 L135 C136 L175 L187 L190 L194	L120-L132 HydrophobicContact CD1-CD2 4.09Å; L120-L132 HydrophobicContact CD2-CD2 3.58Å; L120-L132 HydrophobicContact CD2-CG 3.54Å; V128-L132 HydrophobicContact CG1-CD1 4.27Å; V128-L132 WeakPolarHBondContact O-CG 2.83Å; V128-L132 PolarHBondContact O-N 3.15Å; V129-L132 PolarHBondContact O-N 2.89Å; L132-T134 VanDerWaalsContact C-N 3.34Å; L132-T134 PolarHBondContact O-N 3.34Å; L132-L135 PolarHBondContact O-N 3.47Å; L132-C136 PolarHBondContact O-N 3.28Å; L132-C136 PolarHBondContact O-SG 3.43Å; L132-C136 VanDerWaalsContact O-SG 3.38Å; L132-L175 HydrophobicContact CD2-CD2 3.89Å; L132-L187 HydrophobicContact CD1-CD2 4.15Å; L132-L190 HydrophobicContact CB-CD2 3.44Å; L132-L190 VanDerWaalsContact CB-CD2 3.44Å; L132-L190 HydrophobicContact CB-CG 3.74Å; L132-L190 HydrophobicContact CD1-CB 4.24Å; L132-L190 HydrophobicContact CD1-CD2 3.84Å; L132-L190 HydrophobicContact CD1-CG 4.02Å; L132-L190 HydrophobicContact CG-CD2 4.29Å; L132-L190 HydrophobicContact CG-CG 4.48Å; L132-L194 HydrophobicContact CD2-CD2 3.7Å
133	Q	90.9	Very high	88.6	Confident	16 Å²	16	24.3 Å²	24.3	8%	0.075	11%	0.113	C	C	.	.	H	α-helix	trans	-61.5	-43	176.2	-76.6	-177.2	-15.1	0	0	111.6	V85 L87 V129 N130 C136 A137 L190	V85-Q133 HydrophobicContact CB-CB 4.14Å; V85-Q133 HydrophobicContact CG1-CB 4.22Å; V85-Q133 HydrophobicContact CG2-CB 3.88Å; L87-Q133 HydrophobicContact CD2-CB 4.23Å; L87-Q133 WeakPolarHBondContact CD2-O 3.33Å; V129-Q133 HydrophobicContact CG1-CG 4.42Å; V129-Q133 WeakPolarHBondContact O-CG 3.43Å; V129-Q133 PolarHBondContact O-N 3.47Å; N130-Q133 PolarHBondContact O-N 3.04Å; Q133-C136 PolarHBondContact O-N 3.23Å; Q133-A137 PolarHBondContact O-N 3.3Å; Q133-L190 HydrophobicContact CG-CD1 4.21Å; Q133-L190 HydrophobicContact CG-CD2 3.94Å
134	T	92.9	Very high	88.3	Confident	2 Å²	2	18 Å²	18	1%	0.012	8%	0.084	C	C	.	.	H	α-helix	trans	-63	-43.2	175.2	-61.5	0	0	0	0	111.5	L90 L112 N130 A131 L132 C136 A137 L138	L90-T134 HydrophobicContact CD2-CG2 3.88Å; L112-T134 HydrophobicContact CD1-CG2 3.97Å; L112-T134 HydrophobicContact CD2-CG2 4.22Å; L112-T134 HydrophobicContact CG-CG2 4.31Å; N130-T134 WeakPolarHBondContact O-CB 3.17Å; N130-T134 PolarHBondContact O-N 2.88Å; N130-T134 PolarHBondContact O-OG1 3.46Å; A131-T134 PolarHBondContact O-N 3.33Å; L132-T134 VanDerWaalsContact C-N 3.34Å; L132-T134 PolarHBondContact O-N 3.34Å; T134-C136 VanDerWaalsContact C-N 3.35Å; T134-C136 PolarHBondContact O-N 3.45Å; T134-A137 PolarHBondContact O-N 3.04Å; T134-L138 WeakPolarHBondContact O-CG 3.45Å; T134-L138 PolarHBondContact O-N 3.49Å
135	L	94	Very high	87.6	Confident	0 Å²	0	16.1 Å²	16.1	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-59.1	-43.9	174.6	-75.7	167.1	0	0	0	112.1	F113 C116 L120 A131 L132 A137 L138 F139 L171 L194	F113-L135 HydrophobicContact CD2-CD2 3.65Å; F113-L135 HydrophobicContact CE2-CD2 3.65Å; F113-L135 HydrophobicContact CG-CD2 4.3Å; F113-L135 HydrophobicContact CZ-CD2 4.29Å; C116-L135 HydrophobicContact CB-CD1 3.94Å; C116-L135 HydrophobicContact CB-CD2 3.73Å; C116-L135 HydrophobicContact CB-CG 3.58Å; L120-L135 HydrophobicContact CD1-CD1 4.08Å; A131-L135 WeakPolarHBondContact O-CG 3.28Å; A131-L135 PolarHBondContact O-N 2.98Å; L132-L135 PolarHBondContact O-N 3.47Å; L135-A137 PolarHBondContact O-N 3.3Å; L135-L138 WeakPolarHBondContact O-CB 3.45Å; L135-L138 PolarHBondContact O-N 3.13Å; L135-F139 WeakPolarHBondContact O-CD2 3.31Å; L135-F139 PolarHBondContact O-N 3.33Å; L135-L171 HydrophobicContact CD1-CD1 4.1Å; L135-L194 HydrophobicContact CB-CD1 3.79Å; L135-L194 HydrophobicContact CB-CD2 4.02Å; L135-L194 HydrophobicContact CD1-CD2 3.94Å
136	C	91.3	Very high	86.7	Confident	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-59.2	-45.4	175.6	-72.1	0	0	0	0	112	L132 Q133 T134 L138 F139 R140 L194 L704	L132-C136 PolarHBondContact O-N 3.28Å; L132-C136 PolarHBondContact O-SG 3.43Å; L132-C136 VanDerWaalsContact O-SG 3.38Å; Q133-C136 PolarHBondContact O-N 3.23Å; T134-C136 VanDerWaalsContact C-N 3.35Å; T134-C136 PolarHBondContact O-N 3.45Å; C136-L138 VanDerWaalsContact C-N 3.33Å; C136-L138 PolarHBondContact O-N 2.93Å; C136-F139 PolarHBondContact O-N 3.5Å; C136-R140 WeakPolarHBondContact O-CB 3.41Å; C136-R140 VanDerWaalsContact O-CG 3.3Å; C136-R140 WeakPolarHBondContact O-CG 3.41Å; C136-R140 PolarHBondContact O-N 3.33Å; C136-L194 VanDerWaalsContact SG-CA 3.58Å; C136-L704 HydrophobicContact CB-CD1 3.52Å; C136-L704 HydrophobicContact CB-CD2 3.58Å; C136-L704 HydrophobicContact CB-CG 4.2Å
137	A	89.9	Confident	85.6	Confident	0 Å²	0	19 Å²	19	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-64	-36.6	176.4	0	0	0	0	0	112.5	L87 L90 E91 Q133 T134 L135 R140 G141	L87-A137 HydrophobicContact CD2-CB 3.79Å; L90-A137 HydrophobicContact CB-CB 4.38Å; L90-A137 HydrophobicContact CD2-CB 3.72Å; L90-A137 HydrophobicContact CG-CB 4.15Å; E91-A137 HydrophobicContact CG-CB 3.99Å; Q133-A137 PolarHBondContact O-N 3.3Å; T134-A137 PolarHBondContact O-N 3.04Å; L135-A137 PolarHBondContact O-N 3.3Å; A137-R140 PolarHBondContact O-N 3.13Å; A137-G141 PolarHBondContact O-N 3.14Å
138	L	90.9	Very high	84.1	Confident	1 Å²	1	23.8 Å²	23.8	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-61	-52	174.5	-72.3	-176.8	0	0	0	111.4	L94 L112 F113 T134 L135 C136 R140 G141 V142 L158	L94-L138 HydrophobicContact CD1-CD2 3.91Å; L112-L138 HydrophobicContact CD2-CD1 4.23Å; L112-L138 HydrophobicContact CD2-CD2 3.87Å; L112-L138 HydrophobicContact CD2-CG 4.43Å; L112-L138 HydrophobicContact CG-CD1 4.21Å; F113-L138 HydrophobicContact CB-CD1 4.31Å; F113-L138 HydrophobicContact CD2-CD1 4.29Å; T134-L138 WeakPolarHBondContact O-CG 3.45Å; T134-L138 PolarHBondContact O-N 3.49Å; L135-L138 WeakPolarHBondContact O-CB 3.45Å; L135-L138 PolarHBondContact O-N 3.13Å; C136-L138 VanDerWaalsContact C-N 3.33Å; C136-L138 PolarHBondContact O-N 2.93Å; L138-R140 VanDerWaalsContact C-N 3.32Å; L138-R140 PolarHBondContact O-N 3.49Å; L138-G141 PolarHBondContact O-N 3.35Å; L138-V142 WeakPolarHBondContact O-CB 3.35Å; L138-V142 VanDerWaalsContact O-CG2 3.27Å; L138-V142 WeakPolarHBondContact O-CG2 3.4Å; L138-V142 PolarHBondContact O-N 3.47Å; L138-L158 HydrophobicContact CB-CD2 3.93Å; L138-L158 HydrophobicContact CD1-CD2 4.5Å
139	F	89.3	Confident	82.6	Confident	2 Å²	2	25.2 Å²	25.2	1%	0.009	13%	0.134	C	C	.	.	H	α-helix	trans	-61.5	-40.2	179.5	-76.3	-66.7	0	0	0	112.1	F113 L135 C136 H143 L158 L194 L198 V201 I210	F113-F139 HydrophobicContact CE2-CE2 4.09Å; F113-F139 AromaticContact CE2-CZ 3.77Å; F113-F139 HydrophobicContact CE2-CZ 3.77Å; F113-F139 HydrophobicContact CZ-CZ 4.35Å; L135-F139 WeakPolarHBondContact O-CD2 3.31Å; L135-F139 PolarHBondContact O-N 3.33Å; C136-F139 PolarHBondContact O-N 3.5Å; F139-H143 WeakPolarHBondContact O-CB 3.34Å; F139-H143 PolarHBondContact O-N 3.23Å; F139-L158 HydrophobicContact CD1-CD1 3.52Å; F139-L158 HydrophobicContact CE1-CD1 3.46Å; F139-L158 VanDerWaalsContact CE1-CD1 3.46Å; F139-L158 HydrophobicContact CG-CD1 4.39Å; F139-L158 HydrophobicContact CZ-CD1 4.3Å; F139-L194 HydrophobicContact CD2-CD1 3.66Å; F139-L194 HydrophobicContact CE2-CD1 3.85Å; F139-L198 HydrophobicContact CZ-CD1 4.13Å; F139-L198 HydrophobicContact CZ-CG 4.39Å; F139-V201 HydrophobicContact CB-CG2 4.38Å; F139-V201 HydrophobicContact CD1-CG2 4.28Å; F139-I210 HydrophobicContact CE1-CD1 4.05Å
140	R	86.9	Confident	81.3	Confident	44 Å²	44	27.8 Å²	27.8	17%	0.166	15%	0.152	C	C	.	.	H	α-helix	trans	-67.8	-48.9	177.8	-73	173.1	-179.2	-151.5	-4.1	113.3	E91 C136 A137 L138 V142 H143 Q144 C197 V702 L704	E91-R140 HydrophobicContact CG-CB 4.24Å; E91-R140 WeakPolarHBondContact OE1-CD 3.49Å; C136-R140 WeakPolarHBondContact O-CB 3.41Å; C136-R140 VanDerWaalsContact O-CG 3.3Å; C136-R140 WeakPolarHBondContact O-CG 3.41Å; C136-R140 PolarHBondContact O-N 3.33Å; A137-R140 PolarHBondContact O-N 3.13Å; L138-R140 VanDerWaalsContact C-N 3.32Å; L138-R140 PolarHBondContact O-N 3.49Å; R140-V142 VanDerWaalsContact C-N 3.32Å; R140-V142 PolarHBondContact O-N 3.18Å; R140-H143 PolarHBondContact O-N 3.14Å; R140-Q144 WeakPolarHBondContact O-CG 3.38Å; R140-Q144 PolarHBondContact O-N 2.83Å; R140-C197 PolarHBondContact NE-SG 3.38Å; R140-C197 VanDerWaalsContact NE-SG 3.39Å; R140-V702 PolarHBondContact NH1-O 2.98Å; R140-V702 PolarHBondContact NH2-O 3.49Å; R140-L704 VanDerWaalsContact CZ-CG 3.48Å; R140-L704 VanDerWaalsContact NH1-CD1 3.32Å
141	G	84.6	Confident	79.9	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-62.9	-39.5	179.9	0	0	0	0	0	111.9	A137 L138 Q144 K145	A137-G141 PolarHBondContact O-N 3.14Å; L138-G141 PolarHBondContact O-N 3.35Å; G141-Q144 PolarHBondContact O-N 3.22Å; G141-K145 PolarHBondContact O-N 2.99Å
142	V	81.2	Confident	78.7	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-67.5	-40.7	175.8	175.3	0	0	0	0	111.6	L138 R140 K145 N146 I154 M157 L158	L138-V142 WeakPolarHBondContact O-CB 3.35Å; L138-V142 VanDerWaalsContact O-CG2 3.27Å; L138-V142 WeakPolarHBondContact O-CG2 3.4Å; L138-V142 PolarHBondContact O-N 3.47Å; R140-V142 VanDerWaalsContact C-N 3.32Å; R140-V142 PolarHBondContact O-N 3.18Å; V142-K145 PolarHBondContact O-N 3.19Å; V142-N146 VanDerWaalsContact O-CB 3.31Å; V142-N146 WeakPolarHBondContact O-CB 3.26Å; V142-N146 PolarHBondContact O-N 3.3Å; V142-I154 HydrophobicContact CG1-CB 4.23Å; V142-I154 HydrophobicContact CG1-CG1 4.15Å; V142-I154 HydrophobicContact CG1-CG2 3.8Å; V142-M157 HydrophobicContact CB-SD 4.43Å; V142-M157 HydrophobicContact CG1-SD 3.9Å; V142-M157 HydrophobicContact CG2-CE 3.93Å; V142-M157 HydrophobicContact CG2-CG 4.26Å; V142-M157 HydrophobicContact CG2-SD 3.8Å; V142-L158 HydrophobicContact CG2-CD2 3.64Å; V142-L158 HydrophobicContact CG2-CG 4.06Å
143	H	80	Confident	78	Confident	24 Å²	24	36.5 Å²	36.5	11%	0.111	20%	0.195	C	C	.	.	H	α-helix	trans	-59	-49.4	173.7	169.5	68.6	0	0	0	112.3	F139 R140 K145 N146 K147 V201 D203 R699	F139-H143 WeakPolarHBondContact O-CB 3.34Å; F139-H143 PolarHBondContact O-N 3.23Å; R140-H143 PolarHBondContact O-N 3.14Å; H143-K145 PolarHBondContact O-N 3.41Å; H143-N146 CarbonylContact O-C 3.57Å; H143-N146 PolarHBondContact O-N 2.96Å; H143-K147 PolarHBondContact O-N 3.05Å; H143-V201 HydrophobicContact CB-CG2 4.03Å; H143-V201 PolarHBondContact ND1-O 3.37Å; H143-D203 IonicContact CE1-OD1 2.62Å; H143-R699 VanDerWaalsContact CE1-CZ 3.46Å; H143-R699 PolarHBondContact CE1-NH1 3.2Å; H143-R699 PolarHBondContact NE2-NH1 2.91Å
144	Q	75.9	Confident	77.7	Confident	58 Å²	58	35.9 Å²	35.9	27%	0.271	19%	0.192	S	C	.	.	H	α-helix	trans	-58.6	-36.5	-177.9	-73.7	174.1	6.7	0	0	112.5	E95 R140 G141 K147	E95-Q144 HydrophobicContact CG-CB 4.41Å; R140-Q144 WeakPolarHBondContact O-CG 3.38Å; R140-Q144 PolarHBondContact O-N 2.83Å; G141-Q144 PolarHBondContact O-N 3.22Å; Q144-K147 WeakPolarHBondContact O-CE 3.27Å; Q144-K147 WeakPolarHBondContact O-CG 3.44Å
145	K	71.9	Confident	77.3	Confident	45 Å²	45	35.9 Å²	35.9	20%	0.196	19%	0.192	C	C	.	.	H	α-helix	trans	-69.4	-42.5	174.8	-167.4	-164.3	-157.4	111.4	0	113	L94 V97 V102 G141 V142 H143 M157	L94-K145 PolarHBondContact O-NZ 3.41Å; V97-K145 WeakPolarHBondContact O-CE 3.38Å; V97-K145 PolarHBondContact O-NZ 3.48Å; V102-K145 HydrophobicContact CG2-CD 4.29Å; G141-K145 PolarHBondContact O-N 2.99Å; V142-K145 PolarHBondContact O-N 3.19Å; H143-K145 PolarHBondContact O-N 3.41Å; K145-M157 HydrophobicContact CD-CE 4.07Å; K145-M157 HydrophobicContact CD-SD 4.2Å
146	N	66.9	Low	77	Confident	34 Å²	34	38.3 Å²	38.3	18%	0.182	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	38.3	-169	-74	-32.6	0	0	0	112.7	V142 H143 S148 A149	V142-N146 VanDerWaalsContact O-CB 3.31Å; V142-N146 WeakPolarHBondContact O-CB 3.26Å; V142-N146 PolarHBondContact O-N 3.3Å; H143-N146 CarbonylContact O-C 3.57Å; H143-N146 PolarHBondContact O-N 2.96Å; N146-S148 PolarHBondContact O-N 3.38Å; N146-A149 HydrophobicContact CB-CB 3.59Å; N146-A149 PolarHBondContact O-N 2.92Å
147	K	63.9	Low	76.7	Confident	137 Å²	137	38.7 Å²	38.7	60%	0.596	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-21.9	-179.8	-74	173.7	-175.1	165.9	0	114	H143 Q144	H143-K147 PolarHBondContact O-N 3.05Å; Q144-K147 WeakPolarHBondContact O-CE 3.27Å; Q144-K147 WeakPolarHBondContact O-CG 3.44Å
148	S	58.3	Low	76.5	Confident	125 Å²	125	38.8 Å²	38.8	87%	0.874	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.6	0.5	177.1	54.6	0	0	0	0	114.7	N146	N146-S148 PolarHBondContact O-N 3.38Å
149	A	59.4	Low	76.3	Confident	32 Å²	32	38.8 Å²	38.8	26%	0.264	21%	0.207	S	C	.	.	S	Bend	trans	-88.2	158.5	-174.3	0	0	0	0	0	112.3	N146 D153	N146-A149 HydrophobicContact CB-CB 3.59Å; N146-A149 PolarHBondContact O-N 2.92Å; A149-D153 HydrophobicContact CB-CB 3.86Å; A149-D153 WeakPolarHBondContact CB-OD2 3.45Å
150	S	62.4	Low	76.2	Confident	57 Å²	57	39.2 Å²	39.2	40%	0.399	21%	0.212	S	C	.	.			trans	-75.5	155.6	178.8	72.1	0	0	0	0	110.9	F152 D153	S150-F152 PolarHBondContact O-N 2.8Å; S150-D153 PolarHBondContact N-OD2 3.48Å; S150-D153 WeakPolarHBondContact O-CB 3.49Å; S150-D153 PolarHBondContact O-N 3.22Å; S150-D153 PolarHBondContact OG-OD2 3.32Å
151	G	62	Low	76	Confident	4 Å²	4	41.9 Å²	41.9	4%	0.041	23%	0.225	C	C	.	.	H	α-helix	trans	-55.3	-25.3	176	0	0	0	0	0	113.8	D153 I154 I155 T209	G151-D153 VanDerWaalsContact C-N 3.34Å; G151-D153 PolarHBondContact O-N 3.26Å; G151-I154 WeakPolarHBondContact O-CB 3.27Å; G151-I154 PolarHBondContact O-N 3.32Å; G151-I155 PolarHBondContact O-N 3.28Å; G151-T209 VanDerWaalsContact CA-OG1 3.32Å; G151-T209 WeakPolarHBondContact CA-OG1 3.23Å; G151-T209 PolarHBondContact O-OG1 3.41Å
152	F	68.4	Low	76.1	Confident	109 Å²	109	49.9 Å²	49.9	48%	0.478	27%	0.267	S	S	.	.	H	α-helix	trans	-65.2	-34.1	174.7	-68	-75.3	0	0	0	113.1	S150 I154 I155 N156 F161 T209	S150-F152 PolarHBondContact O-N 2.8Å; F152-I154 VanDerWaalsContact C-N 3.29Å; F152-I154 PolarHBondContact O-N 2.87Å; F152-I155 PolarHBondContact O-N 2.87Å; F152-N156 WeakPolarHBondContact O-CB 3.26Å; F152-N156 PolarHBondContact O-N 3.4Å; F152-F161 HydrophobicContact CB-CE1 4.24Å; F152-F161 HydrophobicContact CB-CZ 4.21Å; F152-F161 HydrophobicContact CD1-CE1 4.12Å; F152-F161 WeakPolarHBondContact O-CZ 3.48Å; F152-T209 HydrophobicContact CD2-CG2 4.07Å; F152-T209 HydrophobicContact CE1-CG2 4.19Å; F152-T209 HydrophobicContact CE2-CG2 3.71Å; F152-T209 HydrophobicContact CG-CG2 4.47Å; F152-T209 HydrophobicContact CZ-CG2 3.77Å; F152-T209 PolarHBondContact N-OG1 2.86Å
153	D	77.4	Confident	76.5	Confident	76 Å²	76	56 Å²	56	41%	0.406	29%	0.294	S	S	.	.	H	α-helix	trans	-67.3	-35.1	178.1	-58.5	-52.9	0	0	0	110.8	A149 S150 G151 M157	A149-D153 HydrophobicContact CB-CB 3.86Å; A149-D153 WeakPolarHBondContact CB-OD2 3.45Å; S150-D153 PolarHBondContact N-OD2 3.48Å; S150-D153 WeakPolarHBondContact O-CB 3.49Å; S150-D153 PolarHBondContact O-N 3.22Å; S150-D153 PolarHBondContact OG-OD2 3.32Å; G151-D153 VanDerWaalsContact C-N 3.34Å; G151-D153 PolarHBondContact O-N 3.26Å; D153-M157 VanDerWaalsContact O-CB 3.28Å; D153-M157 WeakPolarHBondContact O-CB 3.4Å; D153-M157 PolarHBondContact O-N 2.96Å
154	I	83.3	Confident	76.9	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.015	29%	0.289	C	S	.	.	H	α-helix	trans	-66.3	-47.8	175.5	-55.1	179.6	0	0	0	110.5	V142 G151 F152 N156 M157 L158 V201 T202 I210	V142-I154 HydrophobicContact CG1-CB 4.23Å; V142-I154 HydrophobicContact CG1-CG1 4.15Å; V142-I154 HydrophobicContact CG1-CG2 3.8Å; G151-I154 WeakPolarHBondContact O-CB 3.27Å; G151-I154 PolarHBondContact O-N 3.32Å; F152-I154 VanDerWaalsContact C-N 3.29Å; F152-I154 PolarHBondContact O-N 2.87Å; I154-N156 PolarHBondContact O-N 2.97Å; I154-M157 PolarHBondContact O-N 3.21Å; I154-L158 HydrophobicContact CG2-CD1 3.89Å; I154-L158 PolarHBondContact O-N 3.09Å; I154-V201 HydrophobicContact CD1-CG1 4.16Å; I154-V201 HydrophobicContact CD1-CG2 4.22Å; I154-V201 HydrophobicContact CG2-CG2 4.48Å; I154-T202 HydrophobicContact CD1-CG2 3.89Å; I154-I210 HydrophobicContact CB-CD1 4.33Å; I154-I210 HydrophobicContact CG2-CD1 3.6Å
155	I	86.2	Confident	77.7	Confident	3 Å²	3	58.5 Å²	58.5	2%	0.015	31%	0.306	C	S	.	.	H	α-helix	trans	-60	-48	178.4	-67.5	165.1	0	0	0	110.6	G151 F152 M157 L158 M159 G160 F161 A164 T209 I210 Y213	G151-I155 PolarHBondContact O-N 3.28Å; F152-I155 PolarHBondContact O-N 2.87Å; I155-M157 VanDerWaalsContact C-N 3.31Å; I155-M157 PolarHBondContact O-N 2.99Å; I155-L158 PolarHBondContact O-N 3.26Å; I155-M159 WeakPolarHBondContact O-CB 3.45Å; I155-M159 PolarHBondContact O-N 3.25Å; I155-G160 PolarHBondContact O-N 3.24Å; I155-F161 HydrophobicContact CB-CE1 4.41Å; I155-F161 HydrophobicContact CG2-CD1 4.09Å; I155-F161 HydrophobicContact CG2-CE1 4.25Å; I155-A164 HydrophobicContact CG2-CB 3.62Å; I155-T209 WeakPolarHBondContact CD1-OG1 3.42Å; I155-I210 HydrophobicContact CD1-CG1 4.27Å; I155-I210 HydrophobicContact CG1-CG1 3.65Å; I155-Y213 HydrophobicContact CD1-CE2 3.92Å
156	N	85.9	Confident	78.7	Confident	51 Å²	51	61.5 Å²	61.5	27%	0.273	32%	0.321	S	S	.	.	H	α-helix	trans	-60.3	-44.5	-179	-166.9	33.3	0	0	0	111.2	Q106 F152 I154 G160 F161	Q106-N156 VanDerWaalsContact NE2-CG 3.27Å; Q106-N156 PolarHBondContact NE2-ND2 2.88Å; Q106-N156 PolarHBondContact NE2-O 3.24Å; Q106-N156 PolarHBondContact NE2-OD1 3.38Å; F152-N156 WeakPolarHBondContact O-CB 3.26Å; F152-N156 PolarHBondContact O-N 3.4Å; I154-N156 PolarHBondContact O-N 2.97Å; N156-G160 PolarHBondContact O-N 3.16Å; N156-G160 VanDerWaalsContact O-N 3.16Å; N156-F161 HydrophobicContact CB-CD2 4.2Å; N156-F161 HydrophobicContact CB-CE1 4.2Å; N156-F161 HydrophobicContact CB-CE2 3.61Å; N156-F161 HydrophobicContact CB-CZ 3.61Å; N156-F161 VanDerWaalsContact CG-CE2 3.48Å
157	M	85.1	Confident	79.9	Confident	8 Å²	8	60.8 Å²	60.8	4%	0.039	32%	0.315	C	S	.	.	H	α-helix	trans	-66.8	-38.4	-178.3	-176.6	171.4	179.4	0	0	113.7	L94 V102 I109 N110 V142 K145 D153 I154 I155	L94-M157 HydrophobicContact CD2-CE 3.97Å; V102-M157 HydrophobicContact CG1-CE 4.09Å; V102-M157 HydrophobicContact CG1-CG 4.1Å; V102-M157 HydrophobicContact CG1-SD 4.07Å; V102-M157 HydrophobicContact CG2-CE 4.12Å; I109-M157 HydrophobicContact CD1-CE 3.8Å; I109-M157 WeakPolarHBondContact CG2-O 3.49Å; N110-M157 PolarHBondContact OD1-O 3.48Å; V142-M157 HydrophobicContact CB-SD 4.43Å; V142-M157 HydrophobicContact CG1-SD 3.9Å; V142-M157 HydrophobicContact CG2-CE 3.93Å; V142-M157 HydrophobicContact CG2-CG 4.26Å; V142-M157 HydrophobicContact CG2-SD 3.8Å; K145-M157 HydrophobicContact CD-CE 4.07Å; K145-M157 HydrophobicContact CD-SD 4.2Å; D153-M157 VanDerWaalsContact O-CB 3.28Å; D153-M157 WeakPolarHBondContact O-CB 3.4Å; D153-M157 PolarHBondContact O-N 2.96Å; I154-M157 PolarHBondContact O-N 3.21Å; I155-M157 VanDerWaalsContact C-N 3.31Å; I155-M157 PolarHBondContact O-N 2.99Å
158	L	86.7	Confident	81.4	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-89.2	-34.5	-176	-71.9	177.5	0	0	0	113.8	I109 N110 F113 L138 F139 V142 I154 I155	I109-L158 HydrophobicContact CG2-CD2 4.21Å; N110-L158 WeakPolarHBondContact CA-O 3.43Å; N110-L158 PolarHBondContact OD1-O 2.92Å; F113-L158 VanDerWaalsContact CB-O 3.25Å; F113-L158 WeakPolarHBondContact CB-O 3.31Å; F113-L158 HydrophobicContact CD2-CB 4.3Å; L138-L158 HydrophobicContact CB-CD2 3.93Å; L138-L158 HydrophobicContact CD1-CD2 4.5Å; F139-L158 HydrophobicContact CD1-CD1 3.52Å; F139-L158 HydrophobicContact CE1-CD1 3.46Å; F139-L158 VanDerWaalsContact CE1-CD1 3.46Å; F139-L158 HydrophobicContact CG-CD1 4.39Å; F139-L158 HydrophobicContact CZ-CD1 4.3Å; V142-L158 HydrophobicContact CG2-CD2 3.64Å; V142-L158 HydrophobicContact CG2-CG 4.06Å; I154-L158 HydrophobicContact CG2-CD1 3.89Å; I154-L158 PolarHBondContact O-N 3.09Å; I155-L158 PolarHBondContact O-N 3.26Å
159	M	87.4	Confident	83.1	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-127.5	-27.3	-163.8	-35.7	-171.6	77.7	0	0	113.8	N110 F113 I155 A164 R167 M168	N110-M159 WeakPolarHBondContact OD1-CA 3.46Å; N110-M159 PolarHBondContact OD1-N 3.26Å; F113-M159 HydrophobicContact CD1-CE 4.15Å; F113-M159 HydrophobicContact CE1-CE 3.29Å; F113-M159 HydrophobicContact CE1-CG 4.48Å; F113-M159 HydrophobicContact CE2-CE 4.48Å; F113-M159 HydrophobicContact CZ-CE 3.49Å; F113-M159 VanDerWaalsContact CZ-CE 3.49Å; F113-M159 HydrophobicContact CZ-SD 4.48Å; I155-M159 WeakPolarHBondContact O-CB 3.45Å; I155-M159 PolarHBondContact O-N 3.25Å; M159-A164 HydrophobicContact CB-CB 4.08Å; M159-A164 HydrophobicContact SD-CB 4.23Å; M159-R167 HydrophobicContact CE-CB 3.55Å; M159-R167 PolarHBondContact O-NH1 3.37Å; M159-M168 HydrophobicContact CE-CB 4.24Å; M159-M168 HydrophobicContact CE-CG 3.39Å; M159-M168 HydrophobicContact CE-SD 3.3Å; M159-M168 WeakPolarHBondContact CE-SD 3.37Å; M159-M168 HydrophobicContact SD-CG 3.64Å; M159-M168 HydrophobicContact SD-SD 3.65Å; M159-M168 VanDerWaalsContact SD-SD 3.65Å
160	G	86	Confident	84.8	Confident	10 Å²	10	52.8 Å²	52.8	10%	0.103	26%	0.261	C	S	.	.			trans	68.4	140.1	-163.3	0	0	0	0	0	112.2	N110 I155 N156 D162 K163 A164	N110-G160 PolarHBondContact OD1-N 3.43Å; I155-G160 PolarHBondContact O-N 3.24Å; N156-G160 PolarHBondContact O-N 3.16Å; N156-G160 VanDerWaalsContact O-N 3.16Å; G160-D162 VanDerWaalsContact C-N 3.33Å; G160-D162 PolarHBondContact O-N 3.24Å; G160-K163 PolarHBondContact O-N 3.46Å; G160-A164 WeakPolarHBondContact O-CB 3.46Å; G160-A164 PolarHBondContact O-N 3.28Å
161	F	83.6	Confident	86.4	Confident	101 Å²	101	50 Å²	50	44%	0.443	24%	0.242	S	C	.	.	H	α-helix	trans	-59.7	-40.3	-175.1	-67.5	-60	0	0	0	113.7	F152 I155 N156 K163 A164	F152-F161 HydrophobicContact CB-CE1 4.24Å; F152-F161 HydrophobicContact CB-CZ 4.21Å; F152-F161 HydrophobicContact CD1-CE1 4.12Å; F152-F161 WeakPolarHBondContact O-CZ 3.48Å; I155-F161 HydrophobicContact CB-CE1 4.41Å; I155-F161 HydrophobicContact CG2-CD1 4.09Å; I155-F161 HydrophobicContact CG2-CE1 4.25Å; N156-F161 HydrophobicContact CB-CD2 4.2Å; N156-F161 HydrophobicContact CB-CE1 4.2Å; N156-F161 HydrophobicContact CB-CE2 3.61Å; N156-F161 HydrophobicContact CB-CZ 3.61Å; N156-F161 VanDerWaalsContact CG-CE2 3.48Å; F161-K163 PolarHBondContact O-N 2.92Å; F161-A164 PolarHBondContact O-N 3.18Å
162	D	85.8	Confident	88.1	Confident	167 Å²	167	50 Å²	50	89%	0.893	24%	0.241	S	C	*	.	H	α-helix	trans	-65.2	-27.9	-174	-56.8	-42.3	0	0	0	113.4	G160	G160-D162 VanDerWaalsContact C-N 3.33Å; G160-D162 PolarHBondContact O-N 3.24Å
163	K	89.6	Confident	89.3	Confident	130 Å²	130	49.7 Å²	49.7	57%	0.565	24%	0.24	S	C	*	.	H	α-helix	trans	-114.5	-1.8	-175.4	-62.2	-178.3	-177.1	175	0	113.3	G160 F161 E165 Q166 R167	G160-K163 PolarHBondContact O-N 3.46Å; F161-K163 PolarHBondContact O-N 2.92Å; K163-E165 PolarHBondContact O-N 3.49Å; K163-Q166 PolarHBondContact O-N 2.81Å; K163-R167 HydrophobicContact CB-CG 4.38Å; K163-R167 WeakPolarHBondContact O-CB 3.26Å; K163-R167 VanDerWaalsContact O-CG 3.25Å; K163-R167 WeakPolarHBondContact O-CG 3.43Å; K163-R167 PolarHBondContact O-N 3.15Å
164	A	89.6	Confident	90.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58.9	-46.1	-174.4	0	0	0	0	0	112.6	I155 M159 G160 F161 R167 M168	I155-A164 HydrophobicContact CG2-CB 3.62Å; M159-A164 HydrophobicContact CB-CB 4.08Å; M159-A164 HydrophobicContact SD-CB 4.23Å; G160-A164 WeakPolarHBondContact O-CB 3.46Å; G160-A164 PolarHBondContact O-N 3.28Å; F161-A164 PolarHBondContact O-N 3.18Å; A164-R167 PolarHBondContact O-N 2.97Å; A164-M168 WeakPolarHBondContact O-CB 3.4Å; A164-M168 WeakPolarHBondContact O-CG 3.26Å; A164-M168 PolarHBondContact O-N 3.38Å
165	E	90.9	Very high	90.8	Very high	134 Å²	134	51.2 Å²	51.2	63%	0.626	24%	0.24	S	C	*	.	H	α-helix	trans	-60	-51.2	-178.3	-174.3	177.7	173.6	0	0	111.9	K163 M168 K169 Y213	K163-E165 PolarHBondContact O-N 3.49Å; E165-M168 PolarHBondContact O-N 2.99Å; E165-K169 WeakPolarHBondContact O-CB 3.37Å; E165-K169 PolarHBondContact O-N 2.9Å; E165-Y213 HydrophobicContact CB-CE1 3.96Å; E165-Y213 HydrophobicContact CG-CE1 4.31Å
166	Q	93.4	Very high	91.2	Very high	108 Å²	108	53.6 Å²	53.6	51%	0.505	25%	0.253	S	S	.	.	H	α-helix	trans	-63.5	-44.9	178.8	-175.2	62.9	43.5	0	0	111.6	K163 M168 K169 D170	K163-Q166 PolarHBondContact O-N 2.81Å; Q166-M168 PolarHBondContact O-N 3.3Å; Q166-K169 WeakPolarHBondContact O-CB 3.46Å; Q166-K169 PolarHBondContact O-N 2.97Å; Q166-D170 PolarHBondContact NE2-OD1 3.03Å; Q166-D170 PolarHBondContact O-N 2.85Å
167	R	93.1	Very high	91.5	Very high	18 Å²	18	54.9 Å²	54.9	7%	0.068	27%	0.266	C	S	.	.	H	α-helix	trans	-65.7	-37.8	-178.8	-72.5	172.2	172.4	-155.7	-12.2	112.5	N110 F113 M159 K163 A164 L171	N110-R167 VanDerWaalsContact O-CZ 3.25Å; N110-R167 PolarHBondContact O-NH1 2.97Å; N110-R167 PolarHBondContact O-NH2 3.32Å; N110-R167 VanDerWaalsContact O-NH2 3.12Å; F113-R167 HydrophobicContact CE1-CB 4.23Å; M159-R167 HydrophobicContact CE-CB 3.55Å; M159-R167 PolarHBondContact O-NH1 3.37Å; K163-R167 HydrophobicContact CB-CG 4.38Å; K163-R167 WeakPolarHBondContact O-CB 3.26Å; K163-R167 VanDerWaalsContact O-CG 3.25Å; K163-R167 WeakPolarHBondContact O-CG 3.43Å; K163-R167 PolarHBondContact O-N 3.15Å; A164-R167 PolarHBondContact O-N 2.97Å; R167-L171 WeakPolarHBondContact O-CB 3.48Å; R167-L171 PolarHBondContact O-N 3.34Å
168	M	94.1	Very high	91.9	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-70	-39.6	175.1	-81.4	-47	-57.1	0	0	111.7	F113 M159 A164 E165 Q166 L171 M172 L198 I210 Y213	F113-M168 HydrophobicContact CZ-SD 4.5Å; M159-M168 HydrophobicContact CE-CB 4.24Å; M159-M168 HydrophobicContact CE-CG 3.39Å; M159-M168 HydrophobicContact CE-SD 3.3Å; M159-M168 WeakPolarHBondContact CE-SD 3.37Å; M159-M168 HydrophobicContact SD-CG 3.64Å; M159-M168 HydrophobicContact SD-SD 3.65Å; M159-M168 VanDerWaalsContact SD-SD 3.65Å; A164-M168 WeakPolarHBondContact O-CB 3.4Å; A164-M168 WeakPolarHBondContact O-CG 3.26Å; A164-M168 PolarHBondContact O-N 3.38Å; E165-M168 PolarHBondContact O-N 2.99Å; Q166-M168 PolarHBondContact O-N 3.3Å; M168-L171 HydrophobicContact CE-CD2 4.08Å; M168-L171 PolarHBondContact O-N 3.49Å; M168-L171 HydrophobicContact SD-CD2 4.2Å; M168-M172 HydrophobicContact CE-CE 3.47Å; M168-M172 VanDerWaalsContact CE-CE 3.47Å; M168-M172 HydrophobicContact CE-CG 4.42Å; M168-M172 VanDerWaalsContact O-CG 3.31Å; M168-M172 WeakPolarHBondContact O-CG 3.39Å; M168-M172 PolarHBondContact O-N 2.85Å; M168-L198 HydrophobicContact CE-CD1 3.85Å; M168-I210 HydrophobicContact CE-CG2 3.99Å; M168-I210 HydrophobicContact SD-CG2 4.14Å; M168-Y213 HydrophobicContact CB-CD1 4.24Å; M168-Y213 HydrophobicContact CB-CD2 4.32Å; M168-Y213 HydrophobicContact CB-CG 3.82Å; M168-Y213 HydrophobicContact CG-CD1 4.45Å; M168-Y213 HydrophobicContact CG-CD2 3.71Å; M168-Y213 HydrophobicContact CG-CE2 4.41Å; M168-Y213 HydrophobicContact CG-CG 3.73Å
169	K	95.1	Very high	92.2	Very high	83 Å²	83	55.4 Å²	55.4	36%	0.361	27%	0.269	S	S	.	.	H	α-helix	trans	-58.4	-52	173.4	176.9	177.3	174.2	-176.7	0	110.8	E165 Q166 L171 M172 E173	E165-K169 WeakPolarHBondContact O-CB 3.37Å; E165-K169 PolarHBondContact O-N 2.9Å; Q166-K169 WeakPolarHBondContact O-CB 3.46Å; Q166-K169 PolarHBondContact O-N 2.97Å; K169-L171 VanDerWaalsContact C-N 3.31Å; K169-L171 PolarHBondContact O-N 3.37Å; K169-M172 PolarHBondContact O-N 3.01Å; K169-E173 WeakPolarHBondContact CE-OE1 3.43Å; K169-E173 HydrophobicContact CG-CG 4.47Å; K169-E173 IonicContact NZ-OE1 3.53Å; K169-E173 WeakPolarHBondContact O-CG 3.41Å; K169-E173 PolarHBondContact O-N 3.44Å
170	D	95.4	Very high	92.3	Very high	43 Å²	43	57 Å²	57	23%	0.23	28%	0.28	C	S	.	.	H	α-helix	trans	-57.9	-44.7	177.8	-63.2	-16.7	0	0	0	110.8	V117 Q166 M172 E173 R174	V117-D170 HydrophobicContact CG1-CB 3.77Å; Q166-D170 PolarHBondContact NE2-OD1 3.03Å; Q166-D170 PolarHBondContact O-N 2.85Å; D170-M172 PolarHBondContact O-N 3.06Å; D170-E173 PolarHBondContact O-N 2.91Å; D170-R174 WeakPolarHBondContact O-CG 3.33Å; D170-R174 PolarHBondContact O-N 3.12Å
171	L	96.3	Very high	92.2	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-60.1	-47.6	177	176.2	61.1	0	0	0	111.8	F113 V117 L120 L135 R167 M168 K169 R174 L175 L194	F113-L171 HydrophobicContact CZ-CD2 3.91Å; V117-L171 HydrophobicContact CG1-CB 4.26Å; V117-L171 HydrophobicContact CG2-CB 4.02Å; V117-L171 HydrophobicContact CG2-CD1 4.16Å; L120-L171 HydrophobicContact CD1-CD1 3.73Å; L135-L171 HydrophobicContact CD1-CD1 4.1Å; R167-L171 WeakPolarHBondContact O-CB 3.48Å; R167-L171 PolarHBondContact O-N 3.34Å; M168-L171 HydrophobicContact CE-CD2 4.08Å; M168-L171 PolarHBondContact O-N 3.49Å; M168-L171 HydrophobicContact SD-CD2 4.2Å; K169-L171 VanDerWaalsContact C-N 3.31Å; K169-L171 PolarHBondContact O-N 3.37Å; L171-R174 PolarHBondContact O-N 3.27Å; L171-L175 HydrophobicContact CD1-CD1 3.84Å; L171-L175 HydrophobicContact CD1-CD2 4.47Å; L171-L175 HydrophobicContact CD1-CG 3.97Å; L171-L175 HydrophobicContact CG-CD1 3.94Å; L171-L175 HydrophobicContact CG-CG 4.43Å; L171-L175 VanDerWaalsContact O-CG 3.27Å; L171-L175 WeakPolarHBondContact O-CG 3.48Å; L171-L175 PolarHBondContact O-N 3.32Å; L171-L194 HydrophobicContact CD1-CD2 4.36Å
172	M	96.1	Very high	92.1	Very high	3 Å²	3	61.6 Å²	61.6	2%	0.015	31%	0.313	C	S	.	.	H	α-helix	trans	-65	-41.5	-179.5	-69	-58.5	116.2	0	0	111.8	M168 K169 D170 R174 L175 D176 L195 L198 V214 N217 I219	M168-M172 HydrophobicContact CE-CE 3.47Å; M168-M172 VanDerWaalsContact CE-CE 3.47Å; M168-M172 HydrophobicContact CE-CG 4.42Å; M168-M172 VanDerWaalsContact O-CG 3.31Å; M168-M172 WeakPolarHBondContact O-CG 3.39Å; M168-M172 PolarHBondContact O-N 2.85Å; K169-M172 PolarHBondContact O-N 3.01Å; D170-M172 PolarHBondContact O-N 3.06Å; M172-R174 VanDerWaalsContact C-N 3.34Å; M172-R174 PolarHBondContact O-N 3.07Å; M172-L175 HydrophobicContact CE-CD1 3.91Å; M172-L175 PolarHBondContact O-N 3.27Å; M172-D176 WeakPolarHBondContact O-CB 3.44Å; M172-D176 PolarHBondContact O-N 3.01Å; M172-L195 HydrophobicContact CE-CD2 4.29Å; M172-L195 HydrophobicContact SD-CD2 4.31Å; M172-L198 HydrophobicContact CE-CD1 3.74Å; M172-V214 HydrophobicContact CE-CG2 4.17Å; M172-V214 HydrophobicContact SD-CG1 4.37Å; M172-V214 HydrophobicContact SD-CG2 4Å; M172-N217 HydrophobicContact CB-CB 3.62Å; M172-N217 HydrophobicContact CG-CB 3.89Å; M172-I219 HydrophobicContact SD-CG2 3.94Å
173	E	95.1	Very high	91.9	Very high	102 Å²	102	54.5 Å²	54.5	48%	0.477	28%	0.277	S	S	.	.	H	α-helix	trans	-62.4	-39.5	175.4	-72.3	177.9	176.1	0	0	112.1	K169 D170 S177	K169-E173 WeakPolarHBondContact CE-OE1 3.43Å; K169-E173 HydrophobicContact CG-CG 4.47Å; K169-E173 IonicContact NZ-OE1 3.53Å; K169-E173 WeakPolarHBondContact O-CG 3.41Å; K169-E173 PolarHBondContact O-N 3.44Å; D170-E173 PolarHBondContact O-N 2.91Å; E173-S177 WeakPolarHBondContact O-CB 3.26Å; E173-S177 PolarHBondContact O-N 2.74Å
174	R	95.4	Very high	91.8	Very high	111 Å²	111	49 Å²	49	42%	0.419	25%	0.254	S	S	.	.	H	α-helix	trans	-67.3	-43	175.9	-65.8	-65.8	177.3	-161.2	-2.1	112.1	L120 D170 L171 M172 S177 L178	L120-R174 HydrophobicContact CB-CB 3.91Å; L120-R174 HydrophobicContact CB-CG 4.17Å; L120-R174 HydrophobicContact CD1-CB 4.08Å; D170-R174 WeakPolarHBondContact O-CG 3.33Å; D170-R174 PolarHBondContact O-N 3.12Å; L171-R174 PolarHBondContact O-N 3.27Å; M172-R174 VanDerWaalsContact C-N 3.34Å; M172-R174 PolarHBondContact O-N 3.07Å; R174-S177 PolarHBondContact O-N 2.82Å; R174-L178 VanDerWaalsContact O-CG 3.29Å; R174-L178 WeakPolarHBondContact O-CG 3.39Å; R174-L178 PolarHBondContact O-N 3.29Å
175	L	95.8	Very high	91.7	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-66.9	-41	178.3	-67.5	174.5	0	0	0	111.7	L120 L132 L171 M172 L178 L179 C191 L194 L195	L120-L175 HydrophobicContact CD1-CD2 4.41Å; L132-L175 HydrophobicContact CD2-CD2 3.89Å; L171-L175 HydrophobicContact CD1-CD1 3.84Å; L171-L175 HydrophobicContact CD1-CD2 4.47Å; L171-L175 HydrophobicContact CD1-CG 3.97Å; L171-L175 HydrophobicContact CG-CD1 3.94Å; L171-L175 HydrophobicContact CG-CG 4.43Å; L171-L175 VanDerWaalsContact O-CG 3.27Å; L171-L175 WeakPolarHBondContact O-CG 3.48Å; L171-L175 PolarHBondContact O-N 3.32Å; M172-L175 HydrophobicContact CE-CD1 3.91Å; M172-L175 PolarHBondContact O-N 3.27Å; L175-L178 PolarHBondContact O-N 2.74Å; L175-L179 WeakPolarHBondContact O-CB 3.38Å; L175-L179 VanDerWaalsContact O-CG 3.26Å; L175-L179 WeakPolarHBondContact O-CG 3.5Å; L175-L179 PolarHBondContact O-N 2.81Å; L175-C191 HydrophobicContact CD2-CB 4.09Å; L175-L194 HydrophobicContact CD1-CD2 4.26Å; L175-L194 HydrophobicContact CD2-CD2 4Å; L175-L195 HydrophobicContact CD1-CD2 3.8Å; L175-L195 HydrophobicContact CD1-CG 4.14Å
176	D	94.6	Very high	91.4	Very high	54 Å²	54	45.3 Å²	45.3	29%	0.289	24%	0.239	S	C	.	.	H	α-helix	trans	-58.5	-49.4	173.8	-173.1	80.5	0	0	0	110.8	M172 L178 L179 C180	M172-D176 WeakPolarHBondContact O-CB 3.44Å; M172-D176 PolarHBondContact O-N 3.01Å; D176-L178 VanDerWaalsContact C-N 3.31Å; D176-L178 PolarHBondContact O-N 3.04Å; D176-L179 PolarHBondContact O-N 3.16Å; D176-C180 VanDerWaalsContact O-CB 3.28Å; D176-C180 WeakPolarHBondContact O-CB 3.32Å; D176-C180 PolarHBondContact O-N 3.09Å; D176-C180 PolarHBondContact O-SG 3.18Å
177	S	93.3	Very high	91.2	Very high	77 Å²	77	40.2 Å²	40.2	54%	0.538	22%	0.215	S	C	.	.	H	α-helix	trans	-60.3	-36.9	176.6	-176.4	0	0	0	0	113.5	E173 R174 G181	E173-S177 WeakPolarHBondContact O-CB 3.26Å; E173-S177 PolarHBondContact O-N 2.74Å; R174-S177 PolarHBondContact O-N 2.82Å; S177-G181 WeakPolarHBondContact O-CA 3.48Å; S177-G181 PolarHBondContact O-N 2.94Å
178	L	93	Very high	91.1	Very high	17 Å²	17	40.4 Å²	40.4	9%	0.089	22%	0.216	C	C	.	.	H	α-helix	trans	-73.1	-35.6	179.1	-73.9	170.7	0	0	0	112.2	L120 V128 R174 L175 D176 S183	L120-L178 HydrophobicContact CB-CD1 4.38Å; V128-L178 HydrophobicContact CG1-CD1 4.18Å; V128-L178 HydrophobicContact CG1-CD2 4.29Å; R174-L178 VanDerWaalsContact O-CG 3.29Å; R174-L178 WeakPolarHBondContact O-CG 3.39Å; R174-L178 PolarHBondContact O-N 3.29Å; L175-L178 PolarHBondContact O-N 2.74Å; D176-L178 VanDerWaalsContact C-N 3.31Å; D176-L178 PolarHBondContact O-N 3.04Å; L178-S183 VanDerWaalsContact O-CB 3.23Å; L178-S183 WeakPolarHBondContact O-CB 3.48Å; L178-S183 PolarHBondContact O-OG 3.49Å
179	L	93.1	Very high	90.9	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.021	22%	0.224	C	C	.	.	H	α-helix	trans	-76.1	-40.7	178.5	-69.4	172.9	0	0	0	112.3	L175 D176 K188 C191 L192 L195 A222 I226	L175-L179 WeakPolarHBondContact O-CB 3.38Å; L175-L179 VanDerWaalsContact O-CG 3.26Å; L175-L179 WeakPolarHBondContact O-CG 3.5Å; L175-L179 PolarHBondContact O-N 2.81Å; D176-L179 PolarHBondContact O-N 3.16Å; L179-K188 HydrophobicContact CD2-CB 4.25Å; L179-C191 HydrophobicContact CD2-CB 3.67Å; L179-C191 HydrophobicContact CG-CB 4.08Å; L179-L192 HydrophobicContact CD2-CD2 4.28Å; L179-L192 HydrophobicContact CD2-CG 4.04Å; L179-L195 HydrophobicContact CD1-CD1 3.75Å; L179-A222 HydrophobicContact CB-CB 3.96Å; L179-A222 HydrophobicContact CD1-CB 4.08Å; L179-I226 HydrophobicContact CB-CD1 4.48Å; L179-I226 HydrophobicContact CD2-CD1 4.02Å
180	C	89	Confident	90.7	Very high	34 Å²	34	37.6 Å²	37.6	23%	0.23	21%	0.207	C	C	.	.	H	α-helix	trans	-83.4	-25.2	-177.5	-62.5	0	0	0	0	113.5	D176 A222 Q225	D176-C180 VanDerWaalsContact O-CB 3.28Å; D176-C180 WeakPolarHBondContact O-CB 3.32Å; D176-C180 PolarHBondContact O-N 3.09Å; D176-C180 PolarHBondContact O-SG 3.18Å; C180-A222 VanDerWaalsContact SG-CA 3.57Å; C180-A222 VanDerWaalsContact SG-CB 3.5Å; C180-Q225 VanDerWaalsContact CB-OE1 3.25Å; C180-Q225 PolarHBondContact O-NE2 3.46Å; C180-Q225 PolarHBondContact SG-OE1 3.22Å
181	G	84.1	Confident	90.6	Very high	27 Å²	27	35.5 Å²	35.5	28%	0.278	20%	0.196	S	C	.	.	S	Bend	trans	-82.7	-180	-177.9	0	0	0	0	0	114.5	S177 S183	S177-G181 WeakPolarHBondContact O-CA 3.48Å; S177-G181 PolarHBondContact O-N 2.94Å; G181-S183 PolarHBondContact O-N 3.18Å
182	D	80.6	Confident	90.5	Very high	181 Å²	181	35.5 Å²	35.5	97%	0.968	20%	0.196	S	C	*	.	S	Bend	trans	-76.2	36	178.8	-61.7	-37.3	0	0	0	113.2
183	S	83.3	Confident	90.4	Very high	19 Å²	19	36.5 Å²	36.5	13%	0.133	20%	0.2	C	C	.	.			trans	-70.4	154.2	176.2	-52.1	0	0	0	0	110.9	L178 G181 K188	L178-S183 VanDerWaalsContact O-CB 3.23Å; L178-S183 WeakPolarHBondContact O-CB 3.48Å; L178-S183 PolarHBondContact O-OG 3.49Å; G181-S183 PolarHBondContact O-N 3.18Å; S183-K188 WeakPolarHBondContact O-CE 3.26Å
184	S	86.4	Confident	90.3	Very high	14 Å²	14	31.6 Å²	31.6	10%	0.098	18%	0.178	C	C	.	.			trans	-62.5	150.3	173.7	73.5	0	0	0	0	111.8	S186 L187 K188	S184-S186 PolarHBondContact O-N 2.7Å; S184-L187 WeakPolarHBondContact O-CA 3.44Å; S184-L187 WeakPolarHBondContact O-CB 3.44Å; S184-L187 PolarHBondContact O-N 3.44Å; S184-L187 PolarHBondContact OG-N 3.22Å; S184-K188 PolarHBondContact O-N 3.33Å
185	E	86.9	Confident	90.3	Very high	41 Å²	41	26.4 Å²	26.4	19%	0.192	16%	0.158	C	C	.	.	H	α-helix	trans	-59.9	-34.2	178.9	-58.5	-60.8	118.3	0	0	111.5	L187 K188 S189 Q235 H236	E185-L187 VanDerWaalsContact C-N 3.31Å; E185-L187 PolarHBondContact O-N 2.93Å; E185-K188 PolarHBondContact O-N 3.12Å; E185-K188 IonicContact OE1-NZ 2.73Å; E185-K188 PolarHBondContact OE1-NZ 3.19Å; E185-S189 WeakPolarHBondContact O-CB 3.31Å; E185-S189 PolarHBondContact O-N 3.4Å; E185-Q235 VanDerWaalsContact CB-OE1 3.25Å; E185-H236 PolarHBondContact O-CE1 3.18Å; E185-H236 PolarHBondContact O-NE2 3.44Å; E185-H236 IonicContact OE2-CD2 2.86Å; E185-H236 PolarHBondContact OE2-CD2 3.09Å; E185-H236 IonicContact OE2-NE2 3.53Å; E185-H236 PolarHBondContact OE2-NE2 3.28Å; E185-H236 VanDerWaalsContact OE2-NE2 3.16Å
186	S	85.7	Confident	90.3	Very high	16 Å²	16	26.5 Å²	26.5	11%	0.112	16%	0.159	C	C	.	.	H	α-helix	trans	-56.5	-40.7	170.3	-82.1	0	0	0	0	113.6	S184 L190 L707 E715	S184-S186 PolarHBondContact O-N 2.7Å; S186-L190 PolarHBondContact O-N 2.78Å; S186-L190 VanDerWaalsContact O-N 3.13Å; S186-L707 VanDerWaalsContact CB-CD2 3.48Å; S186-E715 WeakPolarHBondContact CB-OE2 3.44Å; S186-E715 PolarHBondContact OG-OE1 3.1Å; S186-E715 PolarHBondContact OG-OE2 3.08Å
187	L	88.3	Confident	90.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-71.9	-42.4	177.5	-77.9	164.5	0	0	0	111.9	V128 V129 L132 S184 E185 S189 L190 C191 F716	V128-L187 HydrophobicContact CG1-CD2 3.98Å; V129-L187 HydrophobicContact CG2-CD2 3.54Å; V129-L187 HydrophobicContact CG2-CG 4.4Å; L132-L187 HydrophobicContact CD1-CD2 4.15Å; S184-L187 WeakPolarHBondContact O-CA 3.44Å; S184-L187 WeakPolarHBondContact O-CB 3.44Å; S184-L187 PolarHBondContact O-N 3.44Å; S184-L187 PolarHBondContact OG-N 3.22Å; E185-L187 VanDerWaalsContact C-N 3.31Å; E185-L187 PolarHBondContact O-N 2.93Å; L187-S189 VanDerWaalsContact C-N 3.32Å; L187-S189 PolarHBondContact O-N 3.3Å; L187-L190 PolarHBondContact O-N 3.09Å; L187-L190 VanDerWaalsContact O-N 3.15Å; L187-C191 PolarHBondContact O-N 3.1Å; L187-C191 PolarHBondContact O-SG 3.44Å; L187-F716 HydrophobicContact CD1-CE1 4.11Å; L187-F716 HydrophobicContact CD1-CZ 4.2Å; L187-F716 HydrophobicContact CG-CZ 4.48Å
188	K	91.4	Very high	90.2	Very high	22 Å²	22	20.7 Å²	20.7	10%	0.096	12%	0.122	C	C	.	.	H	α-helix	trans	-59.5	-44	174.7	-67.2	179.3	-174	163.9	0	111.1	L179 S183 S184 E185 L190 C191 L192 H236	L179-K188 HydrophobicContact CD2-CB 4.25Å; S183-K188 WeakPolarHBondContact O-CE 3.26Å; S184-K188 PolarHBondContact O-N 3.33Å; E185-K188 PolarHBondContact O-N 3.12Å; E185-K188 IonicContact OE1-NZ 2.73Å; E185-K188 PolarHBondContact OE1-NZ 3.19Å; K188-L190 VanDerWaalsContact C-N 3.33Å; K188-L190 PolarHBondContact O-N 2.82Å; K188-C191 WeakPolarHBondContact O-CB 3.43Å; K188-C191 PolarHBondContact O-N 3.08Å; K188-L192 PolarHBondContact O-N 3.04Å; K188-H236 WeakPolarHBondContact CB-NE2 3.47Å
189	S	90.7	Very high	90.2	Very high	23 Å²	23	20 Å²	20	16%	0.161	12%	0.118	C	C	.	.	H	α-helix	trans	-56.6	-45.6	172.9	-176.4	0	0	0	0	111.9	E185 L187 L192 K193	E185-S189 WeakPolarHBondContact O-CB 3.31Å; E185-S189 PolarHBondContact O-N 3.4Å; L187-S189 VanDerWaalsContact C-N 3.32Å; L187-S189 PolarHBondContact O-N 3.3Å; S189-L192 PolarHBondContact O-N 3.36Å; S189-K193 VanDerWaalsContact O-CG 3.26Å; S189-K193 WeakPolarHBondContact O-CG 3.38Å; S189-K193 PolarHBondContact O-N 3.21Å; S189-K193 WeakPolarHBondContact OG-CE 3.07Å
190	L	90.3	Very high	90.1	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-68.1	-36.4	-179.8	-171	60.4	0	0	0	112.4	V129 L132 Q133 S186 L187 K188 K193 L194 L704 L707	V129-L190 HydrophobicContact CG1-CD2 4.13Å; L132-L190 HydrophobicContact CB-CD2 3.44Å; L132-L190 VanDerWaalsContact CB-CD2 3.44Å; L132-L190 HydrophobicContact CB-CG 3.74Å; L132-L190 HydrophobicContact CD1-CB 4.24Å; L132-L190 HydrophobicContact CD1-CD2 3.84Å; L132-L190 HydrophobicContact CD1-CG 4.02Å; L132-L190 HydrophobicContact CG-CD2 4.29Å; L132-L190 HydrophobicContact CG-CG 4.48Å; Q133-L190 HydrophobicContact CG-CD1 4.21Å; Q133-L190 HydrophobicContact CG-CD2 3.94Å; S186-L190 PolarHBondContact O-N 2.78Å; S186-L190 VanDerWaalsContact O-N 3.13Å; L187-L190 PolarHBondContact O-N 3.09Å; L187-L190 VanDerWaalsContact O-N 3.15Å; K188-L190 VanDerWaalsContact C-N 3.33Å; K188-L190 PolarHBondContact O-N 2.82Å; L190-K193 PolarHBondContact O-N 3.03Å; L190-L194 PolarHBondContact O-N 3.48Å; L190-L704 HydrophobicContact CD1-CD2 4.24Å; L190-L707 HydrophobicContact CB-CD1 4.06Å; L190-L707 HydrophobicContact CD1-CD1 4.09Å; L190-L707 HydrophobicContact CD2-CD1 4.46Å; L190-L707 HydrophobicContact CG-CD1 4.43Å
191	C	94.1	Very high	90.1	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61.9	-46	173.1	-67.8	0	0	0	0	111.6	L175 L179 L187 K188 K193 L194 L195	L175-C191 HydrophobicContact CD2-CB 4.09Å; L179-C191 HydrophobicContact CD2-CB 3.67Å; L179-C191 HydrophobicContact CG-CB 4.08Å; L187-C191 PolarHBondContact O-N 3.1Å; L187-C191 PolarHBondContact O-SG 3.44Å; K188-C191 WeakPolarHBondContact O-CB 3.43Å; K188-C191 PolarHBondContact O-N 3.08Å; C191-K193 PolarHBondContact O-N 3.19Å; C191-L194 WeakPolarHBondContact O-CB 3.35Å; C191-L194 PolarHBondContact O-N 2.9Å; C191-L195 WeakPolarHBondContact O-CG 3.48Å; C191-L195 PolarHBondContact O-N 3.37Å
192	L	94.3	Very high	90.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-62.8	-40.9	175.7	-71.7	173.1	0	0	0	112.1	L179 K188 S189 L194 L195 L196 I226 H236 D239 L243	L179-L192 HydrophobicContact CD2-CD2 4.28Å; L179-L192 HydrophobicContact CD2-CG 4.04Å; K188-L192 PolarHBondContact O-N 3.04Å; S189-L192 PolarHBondContact O-N 3.36Å; L192-L194 VanDerWaalsContact C-N 3.31Å; L192-L194 PolarHBondContact O-N 2.97Å; L192-L195 HydrophobicContact CD2-CD1 4.4Å; L192-L195 PolarHBondContact O-N 3.47Å; L192-L196 WeakPolarHBondContact O-CG 3.42Å; L192-L196 PolarHBondContact O-N 2.87Å; L192-I226 HydrophobicContact CD1-CD1 4.27Å; L192-I226 HydrophobicContact CD2-CD1 4.16Å; L192-H236 HydrophobicContact CD1-CB 3.61Å; L192-D239 HydrophobicContact CB-CB 4.24Å; L192-D239 HydrophobicContact CD1-CB 4.12Å; L192-L243 HydrophobicContact CD2-CD2 3.94Å
193	K	92.4	Very high	90.4	Very high	23 Å²	23	11.9 Å²	11.9	10%	0.1	7%	0.067	C	C	.	.	H	α-helix	trans	-61.6	-38.3	174.2	-71.4	172.6	-176.1	175.5	0	112.3	S189 L190 C191 C197 V702 S703 L704 T706	S189-K193 VanDerWaalsContact O-CG 3.26Å; S189-K193 WeakPolarHBondContact O-CG 3.38Å; S189-K193 PolarHBondContact O-N 3.21Å; S189-K193 WeakPolarHBondContact OG-CE 3.07Å; L190-K193 PolarHBondContact O-N 3.03Å; C191-K193 PolarHBondContact O-N 3.19Å; K193-C197 WeakPolarHBondContact O-CB 3.44Å; K193-C197 PolarHBondContact O-N 2.91Å; K193-C197 PolarHBondContact O-SG 3.21Å; K193-V702 HydrophobicContact CB-CG1 3.77Å; K193-V702 HydrophobicContact CD-CG1 4.48Å; K193-V702 HydrophobicContact CG-CG1 3.88Å; K193-S703 WeakPolarHBondContact CD-O 3.46Å; K193-S703 WeakPolarHBondContact CE-O 3.24Å; K193-S703 PolarHBondContact NZ-O 3.29Å; K193-S703 VanDerWaalsContact NZ-O 3.07Å; K193-L704 HydrophobicContact CB-CD2 4.43Å; K193-T706 PolarHBondContact NZ-OG1 2.9Å
194	L	94.2	Very high	90.6	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-64.9	-44.8	174	177.5	59.6	0	0	0	111.3	L132 L135 C136 F139 L171 L175 L190 C191 L192 L196 C197 L198	L132-L194 HydrophobicContact CD2-CD2 3.7Å; L135-L194 HydrophobicContact CB-CD1 3.79Å; L135-L194 HydrophobicContact CB-CD2 4.02Å; L135-L194 HydrophobicContact CD1-CD2 3.94Å; C136-L194 VanDerWaalsContact SG-CA 3.58Å; F139-L194 HydrophobicContact CD2-CD1 3.66Å; F139-L194 HydrophobicContact CE2-CD1 3.85Å; L171-L194 HydrophobicContact CD1-CD2 4.36Å; L175-L194 HydrophobicContact CD1-CD2 4.26Å; L175-L194 HydrophobicContact CD2-CD2 4Å; L190-L194 PolarHBondContact O-N 3.48Å; C191-L194 WeakPolarHBondContact O-CB 3.35Å; C191-L194 PolarHBondContact O-N 2.9Å; L192-L194 VanDerWaalsContact C-N 3.31Å; L192-L194 PolarHBondContact O-N 2.97Å; L194-L196 PolarHBondContact O-N 3.02Å; L194-C197 WeakPolarHBondContact O-CB 3.31Å; L194-C197 PolarHBondContact O-N 2.96Å; L194-L198 WeakPolarHBondContact O-CB 3.33Å; L194-L198 PolarHBondContact O-N 3.46Å
195	L	96.1	Very high	90.9	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-61.3	-43.3	176.5	-72	164.5	0	0	0	111.7	M172 L175 L179 C191 L192 L198 V199 I219 L243	M172-L195 HydrophobicContact CE-CD2 4.29Å; M172-L195 HydrophobicContact SD-CD2 4.31Å; L175-L195 HydrophobicContact CD1-CD2 3.8Å; L175-L195 HydrophobicContact CD1-CG 4.14Å; L179-L195 HydrophobicContact CD1-CD1 3.75Å; C191-L195 WeakPolarHBondContact O-CG 3.48Å; C191-L195 PolarHBondContact O-N 3.37Å; L192-L195 HydrophobicContact CD2-CD1 4.4Å; L192-L195 PolarHBondContact O-N 3.47Å; L195-L198 PolarHBondContact O-N 2.89Å; L195-V199 WeakPolarHBondContact O-CB 3.36Å; L195-V199 WeakPolarHBondContact O-CG2 3.37Å; L195-V199 PolarHBondContact O-N 2.94Å; L195-I219 HydrophobicContact CD1-CD1 3.83Å; L195-I219 HydrophobicContact CD2-CD1 4.05Å; L195-I219 HydrophobicContact CG-CD1 4.46Å; L195-L243 HydrophobicContact CB-CD1 4.05Å; L195-L243 HydrophobicContact CB-CD2 3.79Å; L195-L243 HydrophobicContact CD1-CD2 3.9Å; L195-L243 HydrophobicContact CG-CD2 4.43Å
196	L	94.8	Very high	91	Very high	3 Å²	3	11.9 Å²	11.9	2%	0.016	7%	0.066	C	C	.	.	H	α-helix	trans	-63.3	-41.9	174.1	-70.1	171.9	0	0	0	111.8	L192 L194 L198 V199 T200 D239 V242 L243 L246 V698 V702	L192-L196 WeakPolarHBondContact O-CG 3.42Å; L192-L196 PolarHBondContact O-N 2.87Å; L194-L196 PolarHBondContact O-N 3.02Å; L196-L198 VanDerWaalsContact C-N 3.32Å; L196-L198 PolarHBondContact O-N 3.28Å; L196-V199 PolarHBondContact O-N 2.79Å; L196-T200 WeakPolarHBondContact O-CB 3.45Å; L196-T200 WeakPolarHBondContact O-CG2 3.15Å; L196-T200 PolarHBondContact O-N 3.12Å; L196-T200 PolarHBondContact O-OG1 3.06Å; L196-D239 HydrophobicContact CD1-CB 4.01Å; L196-V242 HydrophobicContact CD2-CG1 4.22Å; L196-L243 HydrophobicContact CD2-CB 3.92Å; L196-L243 HydrophobicContact CD2-CD1 4.16Å; L196-L246 HydrophobicContact CD2-CD1 4.34Å; L196-V698 HydrophobicContact CB-CG1 4.27Å; L196-V698 HydrophobicContact CD1-CG1 4.48Å; L196-V698 HydrophobicContact CD2-CG1 4.05Å; L196-V702 HydrophobicContact CB-CG2 4.05Å; L196-V702 HydrophobicContact CD1-CG2 4.46Å
197	C	92.2	Very high	91.2	Very high	8 Å²	8	17.1 Å²	17.1	5%	0.054	9%	0.089	C	C	.	.	H	α-helix	trans	-59.1	-43.2	173	-73.5	0	0	0	0	111.7	R140 K193 L194 V201	R140-C197 PolarHBondContact NE-SG 3.38Å; R140-C197 VanDerWaalsContact NE-SG 3.39Å; K193-C197 WeakPolarHBondContact O-CB 3.44Å; K193-C197 PolarHBondContact O-N 2.91Å; K193-C197 PolarHBondContact O-SG 3.21Å; L194-C197 WeakPolarHBondContact O-CB 3.31Å; L194-C197 PolarHBondContact O-N 2.96Å; C197-V201 PolarHBondContact O-N 3.38Å; C197-V201 VanDerWaalsContact O-N 3.08Å
198	L	92.9	Very high	91.3	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-65.7	-48	-179.7	-176.7	161.2	0	0	0	111.3	F139 M168 M172 L194 L195 L196 T200 V201 N208 I210 L211 V214	F139-L198 HydrophobicContact CZ-CD1 4.13Å; F139-L198 HydrophobicContact CZ-CG 4.39Å; M168-L198 HydrophobicContact CE-CD1 3.85Å; M172-L198 HydrophobicContact CE-CD1 3.74Å; L194-L198 WeakPolarHBondContact O-CB 3.33Å; L194-L198 PolarHBondContact O-N 3.46Å; L195-L198 PolarHBondContact O-N 2.89Å; L196-L198 VanDerWaalsContact C-N 3.32Å; L196-L198 PolarHBondContact O-N 3.28Å; L198-T200 VanDerWaalsContact C-N 3.3Å; L198-T200 PolarHBondContact O-N 3.27Å; L198-V201 WeakPolarHBondContact O-CB 3.42Å; L198-V201 WeakPolarHBondContact O-CG1 3.41Å; L198-V201 PolarHBondContact O-N 2.88Å; L198-N208 PolarHBondContact O-ND2 3.35Å; L198-I210 HydrophobicContact CD1-CG2 4.06Å; L198-I210 HydrophobicContact CD2-CG2 3.72Å; L198-I210 HydrophobicContact CG-CG2 3.83Å; L198-L211 HydrophobicContact CD2-CD2 3.73Å; L198-V214 HydrophobicContact CD1-CG2 4.41Å; L198-V214 HydrophobicContact CD2-CG2 3.62Å
199	V	93.6	Very high	91.3	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.006	9%	0.086	C	C	.	.	H	α-helix	trans	-65.2	-37.1	-178.6	173.6	0	0	0	0	111.6	L195 L196 I205 N208 L211 L243 L246 L247	L195-V199 WeakPolarHBondContact O-CB 3.36Å; L195-V199 WeakPolarHBondContact O-CG2 3.37Å; L195-V199 PolarHBondContact O-N 2.94Å; L196-V199 PolarHBondContact O-N 2.79Å; V199-I205 HydrophobicContact CG1-CD1 3.46Å; V199-I205 VanDerWaalsContact CG1-CD1 3.46Å; V199-I205 HydrophobicContact CG1-CG1 4.26Å; V199-N208 PolarHBondContact O-ND2 3.34Å; V199-N208 VanDerWaalsContact O-ND2 3.1Å; V199-L211 HydrophobicContact CB-CD2 4.27Å; V199-L211 HydrophobicContact CG1-CD1 4.25Å; V199-L211 HydrophobicContact CG1-CD2 4.5Å; V199-L211 HydrophobicContact CG2-CD2 3.72Å; V199-L243 HydrophobicContact CB-CD1 4.44Å; V199-L243 HydrophobicContact CG2-CD1 3.65Å; V199-L246 HydrophobicContact CG1-CB 3.67Å; V199-L246 HydrophobicContact CG1-CD1 4.06Å; V199-L246 HydrophobicContact CG1-CG 4.46Å; V199-L247 HydrophobicContact CG2-CD2 3.87Å; V199-L247 HydrophobicContact CG2-CG 4.3Å
200	T	91.8	Very high	91.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	12.7	-179.2	64.9	0	0	0	0	113.5	L196 L198 T202 L246 V698 R699	L196-T200 WeakPolarHBondContact O-CB 3.45Å; L196-T200 WeakPolarHBondContact O-CG2 3.15Å; L196-T200 PolarHBondContact O-N 3.12Å; L196-T200 PolarHBondContact O-OG1 3.06Å; L198-T200 VanDerWaalsContact C-N 3.3Å; L198-T200 PolarHBondContact O-N 3.27Å; T200-T202 PolarHBondContact O-N 3.21Å; T200-T202 VanDerWaalsContact O-N 3.16Å; T200-L246 HydrophobicContact CG2-CD1 3.89Å; T200-V698 HydrophobicContact CG2-CB 4.23Å; T200-V698 HydrophobicContact CG2-CG1 3.97Å; T200-R699 PolarHBondContact O-NE 3.27Å; T200-R699 PolarHBondContact O-NH2 3.31Å
201	V	88.4	Confident	91.4	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.012	8%	0.079	C	C	.	.	S	Bend	trans	-65.5	-20.1	-175.7	79.4	0	0	0	0	113.9	F139 H143 I154 C197 L198 N208 I210	F139-V201 HydrophobicContact CB-CG2 4.38Å; F139-V201 HydrophobicContact CD1-CG2 4.28Å; H143-V201 HydrophobicContact CB-CG2 4.03Å; H143-V201 PolarHBondContact ND1-O 3.37Å; I154-V201 HydrophobicContact CD1-CG1 4.16Å; I154-V201 HydrophobicContact CD1-CG2 4.22Å; I154-V201 HydrophobicContact CG2-CG2 4.48Å; C197-V201 PolarHBondContact O-N 3.38Å; C197-V201 VanDerWaalsContact O-N 3.08Å; L198-V201 WeakPolarHBondContact O-CB 3.42Å; L198-V201 WeakPolarHBondContact O-CG1 3.41Å; L198-V201 PolarHBondContact O-N 2.88Å; V201-N208 WeakPolarHBondContact CG1-ND2 3.38Å; V201-I210 HydrophobicContact CG1-CD1 4.01Å
202	T	87.9	Confident	91.3	Very high	13 Å²	13	18.6 Å²	18.6	8%	0.08	9%	0.094	C	C	.	.	S	Bend	trans	-115.7	152.8	171.3	60.6	0	0	0	0	110.2	I154 T200 N204 N208 R699	I154-T202 HydrophobicContact CD1-CG2 3.89Å; T200-T202 PolarHBondContact O-N 3.21Å; T200-T202 VanDerWaalsContact O-N 3.16Å; T202-N204 VanDerWaalsContact C-N 3.34Å; T202-N204 PolarHBondContact OG1-O 2.82Å; T202-N208 HydrophobicContact CG2-CB 4.33Å; T202-N208 VanDerWaalsContact OG1-CB 3.29Å; T202-N208 WeakPolarHBondContact OG1-CB 3.46Å; T202-R699 PolarHBondContact O-NH2 3.01Å
203	D	83.8	Confident	91.2	Very high	61 Å²	61	20.6 Å²	20.6	33%	0.326	10%	0.102	S	C	.	.	S	Bend	trans	-65	-40.9	179.9	-69.4	-6.8	0	0	0	111.7	H143 R692 L696 R699	H143-D203 IonicContact CE1-OD1 2.62Å; D203-R692 WeakPolarHBondContact O-CG 3.25Å; D203-L696 WeakPolarHBondContact OD1-CD2 3.29Å; D203-R699 IonicContact OD1-CZ 3.74Å; D203-R699 VanDerWaalsContact OD1-CZ 3.32Å; D203-R699 IonicContact OD1-NH1 3.27Å; D203-R699 PolarHBondContact OD1-NH1 3.36Å; D203-R699 IonicContact OD1-NH2 3.14Å; D203-R699 PolarHBondContact OD1-NH2 3.12Å
204	N	87.6	Confident	91.3	Very high	57 Å²	57	19.5 Å²	19.5	31%	0.305	10%	0.098	S	C	.	.	S	Bend	trans	-97.7	114.6	170.5	-176.3	-14.3	0	0	0	109.7	T202 S206 Q207	T202-N204 VanDerWaalsContact C-N 3.34Å; T202-N204 PolarHBondContact OG1-O 2.82Å; N204-S206 PolarHBondContact O-N 3.38Å; N204-S206 WeakPolarHBondContact OD1-CB 3.34Å; N204-S206 PolarHBondContact OD1-N 3.06Å; N204-Q207 HydrophobicContact CB-CB 4.28Å; N204-Q207 HydrophobicContact CB-CG 4.12Å; N204-Q207 PolarHBondContact O-N 3.47Å; N204-Q207 VanDerWaalsContact O-N 3.11Å
205	I	90.9	Very high	91.2	Very high	3 Å²	3	20.7 Å²	20.7	2%	0.015	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-58	-35.8	179.6	-162.7	163.4	0	0	0	112.1	V199 Q207 N208 L211 L246 Y250 V691	V199-I205 HydrophobicContact CG1-CD1 3.46Å; V199-I205 VanDerWaalsContact CG1-CD1 3.46Å; V199-I205 HydrophobicContact CG1-CG1 4.26Å; I205-Q207 PolarHBondContact O-N 2.89Å; I205-N208 WeakPolarHBondContact O-CB 3.49Å; I205-N208 PolarHBondContact O-N 3.48Å; I205-L211 HydrophobicContact CD1-CD1 4.04Å; I205-L211 HydrophobicContact CG1-CD1 3.42Å; I205-L211 VanDerWaalsContact CG1-CD1 3.42Å; I205-L246 HydrophobicContact CD1-CB 3.82Å; I205-L246 HydrophobicContact CD1-CD2 4.23Å; I205-L246 WeakPolarHBondContact CD1-O 3.5Å; I205-Y250 HydrophobicContact CG1-CD2 4.33Å; I205-Y250 WeakPolarHBondContact O-CD2 3.5Å; I205-Y250 WeakPolarHBondContact O-CE2 3.46Å; I205-V691 HydrophobicContact CB-CG1 4.39Å; I205-V691 HydrophobicContact CG2-CG1 3.65Å
206	S	90.9	Very high	91.1	Very high	14 Å²	14	26.3 Å²	26.3	10%	0.098	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-70.4	-19.8	-177.7	-62.8	0	0	0	0	113	N204 R251	N204-S206 PolarHBondContact O-N 3.38Å; N204-S206 WeakPolarHBondContact OD1-CB 3.34Å; N204-S206 PolarHBondContact OD1-N 3.06Å; S206-R251 PolarHBondContact O-NE 3.32Å; S206-R251 VanDerWaalsContact O-NE 3.14Å; S206-R251 PolarHBondContact OG-N 3.38Å
207	Q	89.4	Confident	90.9	Very high	127 Å²	127	27.8 Å²	27.8	59%	0.593	14%	0.14	S	C	*	.	G	3₁₀ helix	trans	-88.1	-7.4	173.2	-66.9	177.6	-22.8	0	0	112.8	N204 I205 T209	N204-Q207 HydrophobicContact CB-CB 4.28Å; N204-Q207 HydrophobicContact CB-CG 4.12Å; N204-Q207 PolarHBondContact O-N 3.47Å; N204-Q207 VanDerWaalsContact O-N 3.11Å; I205-Q207 PolarHBondContact O-N 2.89Å; Q207-T209 PolarHBondContact O-N 3.45Å
208	N	90.8	Very high	90.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.149	C	C	.	.			trans	-72.5	97.5	176.3	-166.5	-12.7	0	0	0	109.9	L198 V199 V201 T202 I205 I210 L211 Y250	L198-N208 PolarHBondContact O-ND2 3.35Å; V199-N208 PolarHBondContact O-ND2 3.34Å; V199-N208 VanDerWaalsContact O-ND2 3.1Å; V201-N208 WeakPolarHBondContact CG1-ND2 3.38Å; T202-N208 HydrophobicContact CG2-CB 4.33Å; T202-N208 VanDerWaalsContact OG1-CB 3.29Å; T202-N208 WeakPolarHBondContact OG1-CB 3.46Å; I205-N208 WeakPolarHBondContact O-CB 3.49Å; I205-N208 PolarHBondContact O-N 3.48Å; N208-I210 PolarHBondContact O-N 3.49Å; N208-I210 WeakPolarHBondContact OD1-CB 3.19Å; N208-I210 PolarHBondContact OD1-N 3.49Å; N208-I210 VanDerWaalsContact OD1-N 3.17Å; N208-L211 HydrophobicContact CB-CD1 3.95Å; N208-L211 HydrophobicContact CB-CG 4.02Å; N208-L211 PolarHBondContact O-N 2.84Å; N208-Y250 WeakPolarHBondContact O-CE2 3.44Å; N208-Y250 PolarHBondContact O-OH 3.42Å; N208-Y250 VanDerWaalsContact O-OH 3.11Å
209	T	89.9	Confident	90.9	Very high	5 Å²	5	29.1 Å²	29.1	3%	0.031	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-19.3	178.7	49.4	0	0	0	0	112.7	G151 F152 I155 Q207 L211 E212	G151-T209 VanDerWaalsContact CA-OG1 3.32Å; G151-T209 WeakPolarHBondContact CA-OG1 3.23Å; G151-T209 PolarHBondContact O-OG1 3.41Å; F152-T209 HydrophobicContact CD2-CG2 4.07Å; F152-T209 HydrophobicContact CE1-CG2 4.19Å; F152-T209 HydrophobicContact CE2-CG2 3.71Å; F152-T209 HydrophobicContact CG-CG2 4.47Å; F152-T209 HydrophobicContact CZ-CG2 3.77Å; F152-T209 PolarHBondContact N-OG1 2.86Å; I155-T209 WeakPolarHBondContact CD1-OG1 3.42Å; Q207-T209 PolarHBondContact O-N 3.45Å; T209-L211 PolarHBondContact O-N 3.2Å; T209-E212 WeakPolarHBondContact O-CB 3.46Å; T209-E212 WeakPolarHBondContact O-CG 3.29Å; T209-E212 PolarHBondContact O-N 3.23Å; T209-E212 VanDerWaalsContact O-N 3.12Å
210	I	90.3	Very high	91	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-63.1	-32	174.9	-62.5	162.8	0	0	0	110.4	F139 I154 I155 M168 L198 V201 N208 E212 Y213	F139-I210 HydrophobicContact CE1-CD1 4.05Å; I154-I210 HydrophobicContact CB-CD1 4.33Å; I154-I210 HydrophobicContact CG2-CD1 3.6Å; I155-I210 HydrophobicContact CD1-CG1 4.27Å; I155-I210 HydrophobicContact CG1-CG1 3.65Å; M168-I210 HydrophobicContact CE-CG2 3.99Å; M168-I210 HydrophobicContact SD-CG2 4.14Å; L198-I210 HydrophobicContact CD1-CG2 4.06Å; L198-I210 HydrophobicContact CD2-CG2 3.72Å; L198-I210 HydrophobicContact CG-CG2 3.83Å; V201-I210 HydrophobicContact CG1-CD1 4.01Å; N208-I210 PolarHBondContact O-N 3.49Å; N208-I210 WeakPolarHBondContact OD1-CB 3.19Å; N208-I210 PolarHBondContact OD1-N 3.49Å; N208-I210 VanDerWaalsContact OD1-N 3.17Å; I210-E212 PolarHBondContact O-N 3.41Å; I210-Y213 PolarHBondContact O-N 2.89Å
211	L	93.3	Very high	91.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.9	-20.9	177.8	-69.3	-178.6	0	0	0	113.4	L198 V199 I205 N208 T209 Y213 V214 M215 L247 Y250	L198-L211 HydrophobicContact CD2-CD2 3.73Å; V199-L211 HydrophobicContact CB-CD2 4.27Å; V199-L211 HydrophobicContact CG1-CD1 4.25Å; V199-L211 HydrophobicContact CG1-CD2 4.5Å; V199-L211 HydrophobicContact CG2-CD2 3.72Å; I205-L211 HydrophobicContact CD1-CD1 4.04Å; I205-L211 HydrophobicContact CG1-CD1 3.42Å; I205-L211 VanDerWaalsContact CG1-CD1 3.42Å; N208-L211 HydrophobicContact CB-CD1 3.95Å; N208-L211 HydrophobicContact CB-CG 4.02Å; N208-L211 PolarHBondContact O-N 2.84Å; T209-L211 PolarHBondContact O-N 3.2Å; L211-Y213 PolarHBondContact O-N 2.87Å; L211-V214 HydrophobicContact CD2-CB 4.09Å; L211-V214 HydrophobicContact CD2-CG2 3.98Å; L211-V214 PolarHBondContact O-N 3.23Å; L211-V214 VanDerWaalsContact O-N 3.1Å; L211-M215 VanDerWaalsContact O-CG 3.24Å; L211-M215 WeakPolarHBondContact O-CG 3.34Å; L211-M215 PolarHBondContact O-N 3.32Å; L211-L247 HydrophobicContact CD2-CD2 3.99Å; L211-Y250 HydrophobicContact CB-CD1 4.21Å; L211-Y250 HydrophobicContact CB-CD2 3.75Å; L211-Y250 HydrophobicContact CB-CE1 4.06Å; L211-Y250 HydrophobicContact CB-CE2 3.6Å; L211-Y250 HydrophobicContact CB-CG 4.04Å; L211-Y250 HydrophobicContact CD1-CD2 3.46Å; L211-Y250 VanDerWaalsContact CD1-CD2 3.46Å; L211-Y250 HydrophobicContact CD1-CE2 3.99Å; L211-Y250 HydrophobicContact CD1-CG 3.95Å; L211-Y250 HydrophobicContact CG-CD2 4.23Å; L211-Y250 HydrophobicContact CG-CE2 4.36Å
212	E	91.9	Very high	91.5	Very high	70 Å²	70	34.1 Å²	34.1	33%	0.327	17%	0.172	S	C	.	.	H	α-helix	trans	-57.3	-39.1	171.5	-60.7	-173.9	-177.3	0	0	110.9	T209 I210 M215 I216 Y250 R251	T209-E212 WeakPolarHBondContact O-CB 3.46Å; T209-E212 WeakPolarHBondContact O-CG 3.29Å; T209-E212 PolarHBondContact O-N 3.23Å; T209-E212 VanDerWaalsContact O-N 3.12Å; I210-E212 PolarHBondContact O-N 3.41Å; E212-M215 PolarHBondContact O-N 2.85Å; E212-I216 WeakPolarHBondContact O-CD1 3.3Å; E212-I216 VanDerWaalsContact O-CG1 3.29Å; E212-I216 WeakPolarHBondContact O-CG1 3.45Å; E212-I216 PolarHBondContact O-N 2.75Å; E212-Y250 WeakPolarHBondContact CG-OH 3.5Å; E212-R251 IonicContact OE1-CZ 3.41Å; E212-R251 IonicContact OE1-NH1 3.05Å; E212-R251 PolarHBondContact OE1-NH1 3.3Å; E212-R251 IonicContact OE1-NH2 2.86Å; E212-R251 PolarHBondContact OE1-NH2 3.16Å
213	Y	92.2	Very high	91.9	Very high	42 Å²	42	33.5 Å²	33.5	17%	0.165	17%	0.169	C	C	.	.	H	α-helix	trans	-73.5	-31.5	177	-56.5	-73.3	0	0	0	113.3	I155 E165 M168 I210 L211 I216 N217	I155-Y213 HydrophobicContact CD1-CE2 3.92Å; E165-Y213 HydrophobicContact CB-CE1 3.96Å; E165-Y213 HydrophobicContact CG-CE1 4.31Å; M168-Y213 HydrophobicContact CB-CD1 4.24Å; M168-Y213 HydrophobicContact CB-CD2 4.32Å; M168-Y213 HydrophobicContact CB-CG 3.82Å; M168-Y213 HydrophobicContact CG-CD1 4.45Å; M168-Y213 HydrophobicContact CG-CD2 3.71Å; M168-Y213 HydrophobicContact CG-CE2 4.41Å; M168-Y213 HydrophobicContact CG-CG 3.73Å; I210-Y213 PolarHBondContact O-N 2.89Å; L211-Y213 PolarHBondContact O-N 2.87Å; Y213-I216 PolarHBondContact O-N 3.25Å; Y213-N217 PolarHBondContact O-N 3.39Å; Y213-N217 PolarHBondContact O-ND2 3Å
214	V	93.9	Very high	92.5	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.006	16%	0.157	C	C	.	.	H	α-helix	trans	-72.3	-31.6	174.7	-177.6	0	0	0	0	111.3	M172 L198 L211 N217 S218 I219 L247	M172-V214 HydrophobicContact CE-CG2 4.17Å; M172-V214 HydrophobicContact SD-CG1 4.37Å; M172-V214 HydrophobicContact SD-CG2 4Å; L198-V214 HydrophobicContact CD1-CG2 4.41Å; L198-V214 HydrophobicContact CD2-CG2 3.62Å; L211-V214 HydrophobicContact CD2-CB 4.09Å; L211-V214 HydrophobicContact CD2-CG2 3.98Å; L211-V214 PolarHBondContact O-N 3.23Å; L211-V214 VanDerWaalsContact O-N 3.1Å; V214-N217 CarbonylContact O-C 3.35Å; V214-S218 WeakPolarHBondContact O-CA 3.48Å; V214-S218 PolarHBondContact O-N 2.8Å; V214-I219 HydrophobicContact CG1-CG1 4.49Å; V214-L247 HydrophobicContact CG1-CD2 3.9Å
215	M	93.9	Very high	92.8	Very high	25 Å²	25	33.1 Å²	33.1	12%	0.123	16%	0.163	C	C	.	.	H	α-helix	trans	-68.4	-35.7	172.8	-67.2	-52.2	159.3	0	0	111.9	L211 E212 L247 Y250 P258 Y259	L211-M215 VanDerWaalsContact O-CG 3.24Å; L211-M215 WeakPolarHBondContact O-CG 3.34Å; L211-M215 PolarHBondContact O-N 3.32Å; E212-M215 PolarHBondContact O-N 2.85Å; M215-L247 HydrophobicContact CE-CB 4.33Å; M215-L247 HydrophobicContact CE-CD2 3.9Å; M215-L247 VanDerWaalsContact CE-O 3.3Å; M215-L247 WeakPolarHBondContact CE-O 3.36Å; M215-Y250 HydrophobicContact CE-CD1 3.55Å; M215-Y250 HydrophobicContact CE-CG 3.84Å; M215-Y250 HydrophobicContact CG-CD1 3.82Å; M215-Y250 HydrophobicContact CG-CE1 4.03Å; M215-Y250 HydrophobicContact SD-CD1 4.38Å; M215-P258 HydrophobicContact CB-CG 4.08Å; M215-P258 HydrophobicContact CG-CG 4.45Å; M215-P258 HydrophobicContact SD-CG 3.84Å; M215-Y259 HydrophobicContact CE-CD2 3.97Å; M215-Y259 HydrophobicContact CE-CE2 4.15Å; M215-Y259 HydrophobicContact SD-CD2 3.3Å; M215-Y259 WeakPolarHBondContact SD-CD2 3.3Å; M215-Y259 HydrophobicContact SD-CE2 3.41Å; M215-Y259 WeakPolarHBondContact SD-CE2 3.46Å; M215-Y259 HydrophobicContact SD-CG 4.5Å
216	I	92.2	Very high	93	Very high	119 Å²	119	33 Å²	33	61%	0.61	16%	0.163	S	C	*	.	H	α-helix	trans	-73.5	-50.5	176.7	-65.9	163.5	0	0	0	111	E212 Y213 S218	E212-I216 WeakPolarHBondContact O-CD1 3.3Å; E212-I216 VanDerWaalsContact O-CG1 3.29Å; E212-I216 WeakPolarHBondContact O-CG1 3.45Å; E212-I216 PolarHBondContact O-N 2.75Å; Y213-I216 PolarHBondContact O-N 3.25Å; I216-S218 PolarHBondContact O-N 2.9Å
217	N	91.6	Very high	93.3	Very high	34 Å²	34	32.4 Å²	32.4	18%	0.182	16%	0.159	C	C	.	.	S	Bend	trans	-99.7	67.1	-178.3	-51.4	-74.9	0	0	0	109.3	M172 Y213 V214 I219	M172-N217 HydrophobicContact CB-CB 3.62Å; M172-N217 HydrophobicContact CG-CB 3.89Å; Y213-N217 PolarHBondContact O-N 3.39Å; Y213-N217 PolarHBondContact O-ND2 3Å; V214-N217 CarbonylContact O-C 3.35Å; N217-I219 PolarHBondContact O-N 3.14Å
218	S	90.7	Very high	93.5	Very high	35 Å²	35	28.1 Å²	28.1	25%	0.245	14%	0.143	C	C	.	.			trans	-57	131	-170.7	-179.1	0	0	0	0	113.3	V214 I216 F220 K262	V214-S218 WeakPolarHBondContact O-CA 3.48Å; V214-S218 PolarHBondContact O-N 2.8Å; I216-S218 PolarHBondContact O-N 2.9Å; S218-F220 VanDerWaalsContact OG-CB 3.26Å; S218-F220 WeakPolarHBondContact OG-CB 3.37Å; S218-F220 PolarHBondContact OG-N 2.7Å; S218-K262 PolarHBondContact OG-NZ 3.38Å
219	I	94.6	Very high	93.6	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	16%	0.159	C	C	.	.			trans	-96.4	14.5	171.7	58.5	146.7	0	0	0	112.6	M172 L195 V214 N217 E221 A222 I223 L243 L247 Y259	M172-I219 HydrophobicContact SD-CG2 3.94Å; L195-I219 HydrophobicContact CD1-CD1 3.83Å; L195-I219 HydrophobicContact CD2-CD1 4.05Å; L195-I219 HydrophobicContact CG-CD1 4.46Å; V214-I219 HydrophobicContact CG1-CG1 4.49Å; N217-I219 PolarHBondContact O-N 3.14Å; I219-E221 VanDerWaalsContact C-N 3.34Å; I219-E221 PolarHBondContact O-N 3.49Å; I219-A222 PolarHBondContact O-N 3.01Å; I219-I223 HydrophobicContact CD1-CD1 3.72Å; I219-I223 HydrophobicContact CD1-CG1 4.12Å; I219-I223 HydrophobicContact CG1-CD1 4.26Å; I219-I223 PolarHBondContact O-N 3.23Å; I219-L243 HydrophobicContact CD1-CD2 3.69Å; I219-L243 HydrophobicContact CD1-CG 4.35Å; I219-L247 HydrophobicContact CD1-CD1 3.96Å; I219-L247 HydrophobicContact CG1-CD1 4.26Å; I219-Y259 HydrophobicContact CG1-CE1 4.45Å; I219-Y259 VanDerWaalsContact CG1-OH 3.26Å; I219-Y259 WeakPolarHBondContact CG1-OH 3.36Å; I219-Y259 PolarHBondContact N-OH 3.07Å
220	F	95.9	Very high	93.7	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.018	18%	0.182	C	C	.	.	H	α-helix	trans	-61.9	-41.9	-170.9	-175.9	-94.8	0	0	0	112	S218 A222 I223 L224 L244 Y259 K262 L263 V266	S218-F220 VanDerWaalsContact OG-CB 3.26Å; S218-F220 WeakPolarHBondContact OG-CB 3.37Å; S218-F220 PolarHBondContact OG-N 2.7Å; F220-A222 PolarHBondContact O-N 3.4Å; F220-I223 WeakPolarHBondContact O-CB 3.46Å; F220-I223 PolarHBondContact O-N 2.87Å; F220-L224 HydrophobicContact CD1-CD1 3.96Å; F220-L224 HydrophobicContact CD1-CD2 4.36Å; F220-L224 HydrophobicContact CD1-CG 3.96Å; F220-L224 HydrophobicContact CE1-CD1 3.4Å; F220-L224 HydrophobicContact CE1-CD2 3.91Å; F220-L224 HydrophobicContact CE1-CG 3.73Å; F220-L224 HydrophobicContact CE2-CD2 4.4Å; F220-L224 HydrophobicContact CZ-CD1 4.11Å; F220-L224 HydrophobicContact CZ-CD2 3.92Å; F220-L224 HydrophobicContact CZ-CG 4.27Å; F220-L224 WeakPolarHBondContact O-CG 3.39Å; F220-L224 PolarHBondContact O-N 3.19Å; F220-L244 HydrophobicContact CD2-CD1 3.92Å; F220-L244 HydrophobicContact CE2-CD1 3.74Å; F220-Y259 HydrophobicContact CB-CD1 4.31Å; F220-Y259 HydrophobicContact CB-CE1 3.87Å; F220-Y259 AromaticContact CD2-CD1 3.56Å; F220-Y259 HydrophobicContact CD2-CD1 3.56Å; F220-Y259 AromaticContact CD2-CE1 3.95Å; F220-Y259 HydrophobicContact CD2-CE1 3.95Å; F220-Y259 HydrophobicContact CD2-CG 4.34Å; F220-Y259 HydrophobicContact CE2-CD1 4.4Å; F220-Y259 HydrophobicContact CG-CD1 4.42Å; F220-Y259 HydrophobicContact CG-CE1 4.43Å; F220-K262 HydrophobicContact CB-CD 3.78Å; F220-K262 HydrophobicContact CD1-CB 3.96Å; F220-K262 HydrophobicContact CD1-CD 3.54Å; F220-K262 HydrophobicContact CD1-CG 4.36Å; F220-K262 HydrophobicContact CD2-CB 4.1Å; F220-K262 HydrophobicContact CD2-CD 4.17Å; F220-K262 HydrophobicContact CE1-CB 3.62Å; F220-K262 HydrophobicContact CE1-CD 4.07Å; F220-K262 HydrophobicContact CE1-CG 4.42Å; F220-K262 HydrophobicContact CE2-CB 3.79Å; F220-K262 HydrophobicContact CG-CB 4.17Å; F220-K262 HydrophobicContact CG-CD 3.57Å; F220-K262 HydrophobicContact CZ-CB 3.55Å; F220-L263 HydrophobicContact CE2-CB 4.33Å; F220-L263 HydrophobicContact CZ-CB 4.45Å; F220-V266 HydrophobicContact CE1-CG2 3.94Å; F220-V266 HydrophobicContact CZ-CG2 3.71Å
221	E	94.8	Very high	93.7	Very high	104 Å²	104	38.6 Å²	38.6	49%	0.486	21%	0.21	S	C	.	.	H	α-helix	trans	-65	-40	-179.2	-50.1	-48.1	137.6	0	0	111.5	I219 I223 L224 Q225 K262	I219-E221 VanDerWaalsContact C-N 3.34Å; I219-E221 PolarHBondContact O-N 3.49Å; E221-I223 VanDerWaalsContact C-N 3.31Å; E221-I223 PolarHBondContact O-N 3.03Å; E221-L224 PolarHBondContact O-N 3.49Å; E221-L224 VanDerWaalsContact O-N 3.13Å; E221-Q225 PolarHBondContact O-N 3.42Å; E221-K262 IonicContact OE1-NZ 3.62Å; E221-K262 PolarHBondContact OE1-NZ 3.44Å
222	A	95.6	Very high	93.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-59	-41.2	173.8	0	0	0	0	0	112.4	L179 C180 I219 F220 Q225 I226	L179-A222 HydrophobicContact CB-CB 3.96Å; L179-A222 HydrophobicContact CD1-CB 4.08Å; C180-A222 VanDerWaalsContact SG-CA 3.57Å; C180-A222 VanDerWaalsContact SG-CB 3.5Å; I219-A222 PolarHBondContact O-N 3.01Å; F220-A222 PolarHBondContact O-N 3.4Å; A222-Q225 PolarHBondContact O-N 3.48Å; A222-I226 WeakPolarHBondContact O-CD1 3.45Å; A222-I226 VanDerWaalsContact O-CG1 3.31Å; A222-I226 WeakPolarHBondContact O-CG1 3.4Å; A222-I226 PolarHBondContact O-N 3.06Å; A222-I226 VanDerWaalsContact O-N 3.14Å
223	I	96.9	Very high	93.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62	-45.9	174.6	-65.7	172.5	0	0	0	110.3	I219 F220 E221 Q225 I226 L227 A240 L243 L244 L247	I219-I223 HydrophobicContact CD1-CD1 3.72Å; I219-I223 HydrophobicContact CD1-CG1 4.12Å; I219-I223 HydrophobicContact CG1-CD1 4.26Å; I219-I223 PolarHBondContact O-N 3.23Å; F220-I223 WeakPolarHBondContact O-CB 3.46Å; F220-I223 PolarHBondContact O-N 2.87Å; E221-I223 VanDerWaalsContact C-N 3.31Å; E221-I223 PolarHBondContact O-N 3.03Å; I223-Q225 VanDerWaalsContact C-N 3.34Å; I223-Q225 PolarHBondContact O-N 3.44Å; I223-I226 PolarHBondContact O-N 2.98Å; I223-L227 HydrophobicContact CG2-CD1 4.14Å; I223-L227 WeakPolarHBondContact O-CG 3.23Å; I223-L227 PolarHBondContact O-N 2.98Å; I223-A240 HydrophobicContact CG2-CB 4.28Å; I223-L243 HydrophobicContact CD1-CD2 4.01Å; I223-L243 HydrophobicContact CD1-CG 4.1Å; I223-L243 HydrophobicContact CG1-CD2 4.33Å; I223-L244 HydrophobicContact CD1-CB 4.43Å; I223-L244 HydrophobicContact CG2-CB 4.2Å; I223-L244 HydrophobicContact CG2-CD2 4.36Å; I223-L247 HydrophobicContact CD1-CD1 4.17Å
224	L	95.4	Very high	93.6	Very high	17 Å²	17	38.4 Å²	38.4	9%	0.089	22%	0.224	C	C	.	.	H	α-helix	trans	-65.3	-38.6	-179.2	-59.8	-158.6	0	0	0	112.1	F220 E221 I226 L227 S228 V266 T271	F220-L224 HydrophobicContact CD1-CD1 3.96Å; F220-L224 HydrophobicContact CD1-CD2 4.36Å; F220-L224 HydrophobicContact CD1-CG 3.96Å; F220-L224 HydrophobicContact CE1-CD1 3.4Å; F220-L224 HydrophobicContact CE1-CD2 3.91Å; F220-L224 HydrophobicContact CE1-CG 3.73Å; F220-L224 HydrophobicContact CE2-CD2 4.4Å; F220-L224 HydrophobicContact CZ-CD1 4.11Å; F220-L224 HydrophobicContact CZ-CD2 3.92Å; F220-L224 HydrophobicContact CZ-CG 4.27Å; F220-L224 WeakPolarHBondContact O-CG 3.39Å; F220-L224 PolarHBondContact O-N 3.19Å; E221-L224 PolarHBondContact O-N 3.49Å; E221-L224 VanDerWaalsContact O-N 3.13Å; L224-I226 VanDerWaalsContact C-N 3.33Å; L224-I226 PolarHBondContact O-N 3.39Å; L224-L227 PolarHBondContact O-N 2.92Å; L224-L227 VanDerWaalsContact O-N 3.15Å; L224-S228 WeakPolarHBondContact O-CB 3.09Å; L224-S228 PolarHBondContact O-N 3.05Å; L224-S228 PolarHBondContact O-OG 3.05Å; L224-V266 HydrophobicContact CD1-CG1 4.43Å; L224-V266 HydrophobicContact CD1-CG2 4.04Å; L224-T271 HydrophobicContact CB-CG2 3.84Å; L224-T271 HydrophobicContact CD1-CG2 4.07Å; L224-T271 HydrophobicContact CD2-CG2 3.65Å; L224-T271 HydrophobicContact CG-CG2 4.01Å
225	Q	94.5	Very high	93.3	Very high	93 Å²	93	44.2 Å²	44.2	44%	0.435	25%	0.251	S	S	.	.	H	α-helix	trans	-61.1	-41.6	176.1	-172.9	178.9	-16.2	0	0	111.6	C180 E221 A222 I223 L227 S228 D229	C180-Q225 VanDerWaalsContact CB-OE1 3.25Å; C180-Q225 PolarHBondContact O-NE2 3.46Å; C180-Q225 PolarHBondContact SG-OE1 3.22Å; E221-Q225 PolarHBondContact O-N 3.42Å; A222-Q225 PolarHBondContact O-N 3.48Å; I223-Q225 VanDerWaalsContact C-N 3.34Å; I223-Q225 PolarHBondContact O-N 3.44Å; Q225-L227 VanDerWaalsContact C-N 3.3Å; Q225-L227 PolarHBondContact O-N 3.22Å; Q225-S228 PolarHBondContact O-N 2.9Å; Q225-D229 PolarHBondContact O-N 3.36Å
226	I	95.3	Very high	93.3	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-61.4	-38.5	175	-69.9	164.5	0	0	0	111.6	L179 L192 A222 I223 L224 R233 H236 A240	L179-I226 HydrophobicContact CB-CD1 4.48Å; L179-I226 HydrophobicContact CD2-CD1 4.02Å; L192-I226 HydrophobicContact CD1-CD1 4.27Å; L192-I226 HydrophobicContact CD2-CD1 4.16Å; A222-I226 WeakPolarHBondContact O-CD1 3.45Å; A222-I226 VanDerWaalsContact O-CG1 3.31Å; A222-I226 WeakPolarHBondContact O-CG1 3.4Å; A222-I226 PolarHBondContact O-N 3.06Å; A222-I226 VanDerWaalsContact O-N 3.14Å; I223-I226 PolarHBondContact O-N 2.98Å; L224-I226 VanDerWaalsContact C-N 3.33Å; L224-I226 PolarHBondContact O-N 3.39Å; I226-R233 WeakPolarHBondContact O-CA 3.49Å; I226-R233 WeakPolarHBondContact O-CB 3.42Å; I226-R233 PolarHBondContact O-N 3.09Å; I226-H236 HydrophobicContact CG2-CB 3.81Å; I226-A240 HydrophobicContact CG2-CB 3.89Å
227	L	95.6	Very high	93.4	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-75.8	-33	179.8	-63.3	173.5	0	0	0	112.3	I223 L224 Q225 R233 A240 V241 T271 G274 M275 V278	I223-L227 HydrophobicContact CG2-CD1 4.14Å; I223-L227 WeakPolarHBondContact O-CG 3.23Å; I223-L227 PolarHBondContact O-N 2.98Å; L224-L227 PolarHBondContact O-N 2.92Å; L224-L227 VanDerWaalsContact O-N 3.15Å; Q225-L227 VanDerWaalsContact C-N 3.3Å; Q225-L227 PolarHBondContact O-N 3.22Å; L227-R233 WeakPolarHBondContact O-CD 3.18Å; L227-R233 PolarHBondContact O-NH1 2.89Å; L227-R233 VanDerWaalsContact O-NH1 3.14Å; L227-A240 HydrophobicContact CD2-CB 4.29Å; L227-V241 HydrophobicContact CD1-CG2 4.47Å; L227-V241 HydrophobicContact CD2-CG2 3.73Å; L227-T271 HydrophobicContact CB-CG2 4.43Å; L227-G274 WeakPolarHBondContact O-CA 3.48Å; L227-M275 HydrophobicContact CD1-CB 4.29Å; L227-V278 HydrophobicContact CD2-CG2 4.23Å
228	S	94.4	Very high	93.6	Very high	36 Å²	36	40.5 Å²	40.5	25%	0.252	23%	0.226	S	C	.	.	H	α-helix	trans	-69.2	-42.6	177.4	-68.8	0	0	0	0	112.8	L224 Q225 P230 T271	L224-S228 WeakPolarHBondContact O-CB 3.09Å; L224-S228 PolarHBondContact O-N 3.05Å; L224-S228 PolarHBondContact O-OG 3.05Å; Q225-S228 PolarHBondContact O-N 2.9Å; S228-P230 WeakPolarHBondContact O-CD 3.44Å; S228-T271 PolarHBondContact OG-OG1 3.24Å
229	D	93.2	Very high	93.8	Very high	63 Å²	63	40.7 Å²	40.7	34%	0.337	22%	0.224	S	C	.	.	S	Bend	trans	-78.7	119.3	-178.1	173.9	46.3	0	0	0	111.8	Q225 S231 S232 R233	Q225-D229 PolarHBondContact O-N 3.36Å; D229-S231 VanDerWaalsContact C-N 3.29Å; D229-S231 PolarHBondContact O-N 2.9Å; D229-S232 PolarHBondContact O-N 3.2Å; D229-S232 WeakPolarHBondContact OD2-CB 3.14Å; D229-S232 PolarHBondContact OD2-N 3.43Å; D229-R233 WeakPolarHBondContact O-CB 3.4Å; D229-R233 PolarHBondContact O-N 2.87Å
230	P	91.4	Very high	93.9	Very high	82 Å²	82	40.6 Å²	40.6	53%	0.532	22%	0.224	S	C	.	.	H	α-helix	trans	-58.9	-34.7	-178.3	-26.1	35.6	0	0	0	114.8	S228 G234	S228-P230 WeakPolarHBondContact O-CD 3.44Å; P230-G234 PolarHBondContact O-N 2.69Å
231	S	89.9	Confident	94	Very high	82 Å²	82	40.4 Å²	40.4	57%	0.573	22%	0.223	S	C	*	.	H	α-helix	trans	-71.3	-52.8	-176.7	-53.6	0	0	0	0	110.7	D229 G234	D229-S231 VanDerWaalsContact C-N 3.29Å; D229-S231 PolarHBondContact O-N 2.9Å; S231-G234 PolarHBondContact O-N 3.42Å
232	S	91.5	Very high	94	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.021	20%	0.2	C	C	.	.	H	α-helix	trans	-63.2	-41.5	175.5	-176.7	0	0	0	0	111.2	D229 G234 Q235 H236	D229-S232 PolarHBondContact O-N 3.2Å; D229-S232 WeakPolarHBondContact OD2-CB 3.14Å; D229-S232 PolarHBondContact OD2-N 3.43Å; S232-G234 VanDerWaalsContact C-N 3.32Å; S232-G234 PolarHBondContact O-N 3.07Å; S232-Q235 PolarHBondContact O-N 3.33Å; S232-H236 VanDerWaalsContact O-CB 3.31Å; S232-H236 WeakPolarHBondContact O-CB 3.25Å; S232-H236 PolarHBondContact O-N 3.23Å
233	R	93.9	Very high	94.1	Very high	48 Å²	48	35.6 Å²	35.6	18%	0.181	20%	0.2	C	C	.	.	H	α-helix	trans	-56.2	-44.5	177.7	177.4	176.2	59.3	-145.4	11.3	112.3	I226 L227 D229 Q235 G237 G274 V278	I226-R233 WeakPolarHBondContact O-CA 3.49Å; I226-R233 WeakPolarHBondContact O-CB 3.42Å; I226-R233 PolarHBondContact O-N 3.09Å; L227-R233 WeakPolarHBondContact O-CD 3.18Å; L227-R233 PolarHBondContact O-NH1 2.89Å; L227-R233 VanDerWaalsContact O-NH1 3.14Å; D229-R233 WeakPolarHBondContact O-CB 3.4Å; D229-R233 PolarHBondContact O-N 2.87Å; R233-Q235 PolarHBondContact O-N 3.38Å; R233-G237 VanDerWaalsContact O-CA 3.26Å; R233-G237 WeakPolarHBondContact O-CA 3.29Å; R233-G237 PolarHBondContact O-N 2.93Å; R233-G274 VanDerWaalsContact CD-O 3.28Å; R233-G274 WeakPolarHBondContact CD-O 3.21Å; R233-V278 HydrophobicContact CG-CG2 3.62Å
234	G	89.6	Confident	94.2	Very high	57 Å²	57	35.7 Å²	35.7	59%	0.588	20%	0.201	S	C	*	.	H	α-helix	trans	-61.3	-31	-178.5	0	0	0	0	0	113.6	P230 S231 S232	P230-G234 PolarHBondContact O-N 2.69Å; S231-G234 PolarHBondContact O-N 3.42Å; S232-G234 VanDerWaalsContact C-N 3.32Å; S232-G234 PolarHBondContact O-N 3.07Å
235	Q	89.1	Confident	94.3	Very high	122 Å²	122	35.1 Å²	35.1	57%	0.57	20%	0.199	S	C	*	.	H	α-helix	trans	-99.1	-32.2	-177.1	-59.2	-172.4	39.8	0	0	113.4	E185 S232 R233	E185-Q235 VanDerWaalsContact CB-OE1 3.25Å; S232-Q235 PolarHBondContact O-N 3.33Å; R233-Q235 PolarHBondContact O-N 3.38Å
236	H	93.3	Very high	94.4	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.019	18%	0.179	C	C	.	.	H	α-helix	trans	-122.6	-11	-166.4	-60.3	-29.9	0	0	0	113.7	E185 K188 L192 I226 S232 Y238 D239 A240	E185-H236 PolarHBondContact O-CE1 3.18Å; E185-H236 PolarHBondContact O-NE2 3.44Å; E185-H236 IonicContact OE2-CD2 2.86Å; E185-H236 PolarHBondContact OE2-CD2 3.09Å; E185-H236 IonicContact OE2-NE2 3.53Å; E185-H236 PolarHBondContact OE2-NE2 3.28Å; E185-H236 VanDerWaalsContact OE2-NE2 3.16Å; K188-H236 WeakPolarHBondContact CB-NE2 3.47Å; L192-H236 HydrophobicContact CD1-CB 3.61Å; I226-H236 HydrophobicContact CG2-CB 3.81Å; S232-H236 VanDerWaalsContact O-CB 3.31Å; S232-H236 WeakPolarHBondContact O-CB 3.25Å; S232-H236 PolarHBondContact O-N 3.23Å; H236-Y238 VanDerWaalsContact C-N 3.28Å; H236-Y238 PolarHBondContact O-N 3.43Å; H236-D239 PolarHBondContact O-N 2.98Å; H236-A240 WeakPolarHBondContact O-CB 3.11Å; H236-A240 PolarHBondContact O-N 2.98Å
237	G	94.4	Very high	94.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-57.8	-38.9	-175.3	0	0	0	0	0	113.1	R233 A240 V241	R233-G237 VanDerWaalsContact O-CA 3.26Å; R233-G237 WeakPolarHBondContact O-CA 3.29Å; R233-G237 PolarHBondContact O-N 2.93Å; G237-A240 PolarHBondContact O-N 3.5Å; G237-V241 WeakPolarHBondContact O-CB 3.49Å; G237-V241 WeakPolarHBondContact O-CG2 3.4Å; G237-V241 PolarHBondContact O-N 3.31Å
238	Y	94.8	Very high	94.6	Very high	96 Å²	96	30.6 Å²	30.6	38%	0.376	18%	0.178	S	C	.	.	H	α-helix	trans	-58.3	-54.5	177.6	-179.6	-88.3	0	0	0	112.1	H236 A240 V241 V242 N326 I329	H236-Y238 VanDerWaalsContact C-N 3.28Å; H236-Y238 PolarHBondContact O-N 3.43Å; Y238-A240 VanDerWaalsContact C-N 3.29Å; Y238-A240 PolarHBondContact O-N 3.12Å; Y238-V241 PolarHBondContact O-N 3.37Å; Y238-V242 HydrophobicContact CD1-CG2 4.35Å; Y238-V242 HydrophobicContact CE1-CG2 3.94Å; Y238-V242 WeakPolarHBondContact O-CG2 3.2Å; Y238-V242 PolarHBondContact O-N 3.36Å; Y238-N326 VanDerWaalsContact CE2-ND2 3.34Å; Y238-N326 WeakPolarHBondContact CE2-ND2 3.47Å; Y238-N326 PolarHBondContact OH-ND2 2.77Å; Y238-N326 PolarHBondContact OH-OD1 2.99Å; Y238-I329 HydrophobicContact CD2-CD1 3.76Å; Y238-I329 HydrophobicContact CD2-CG1 4.22Å; Y238-I329 HydrophobicContact CE2-CD1 3.6Å; Y238-I329 HydrophobicContact CE2-CG1 3.57Å
239	D	95.1	Very high	94.7	Very high	39 Å²	39	29.3 Å²	29.3	21%	0.209	17%	0.168	C	C	.	.	H	α-helix	trans	-64	-37.3	-180	-74.6	-19.8	0	0	0	111.1	L192 L196 H236 V242 L243	L192-D239 HydrophobicContact CB-CB 4.24Å; L192-D239 HydrophobicContact CD1-CB 4.12Å; L196-D239 HydrophobicContact CD1-CB 4.01Å; H236-D239 PolarHBondContact O-N 2.98Å; D239-V242 PolarHBondContact O-N 2.92Å; D239-L243 WeakPolarHBondContact O-CB 3.14Å; D239-L243 PolarHBondContact O-N 3.27Å
240	A	97.1	Very high	94.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63.5	-44.9	176.9	0	0	0	0	0	112.6	I223 I226 L227 H236 G237 Y238 L243 L244	I223-A240 HydrophobicContact CG2-CB 4.28Å; I226-A240 HydrophobicContact CG2-CB 3.89Å; L227-A240 HydrophobicContact CD2-CB 4.29Å; H236-A240 WeakPolarHBondContact O-CB 3.11Å; H236-A240 PolarHBondContact O-N 2.98Å; G237-A240 PolarHBondContact O-N 3.5Å; Y238-A240 VanDerWaalsContact C-N 3.29Å; Y238-A240 PolarHBondContact O-N 3.12Å; A240-L243 PolarHBondContact O-N 2.91Å; A240-L244 WeakPolarHBondContact O-CB 3.35Å; A240-L244 PolarHBondContact O-N 2.93Å
241	V	97.4	Very high	95	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-65.9	-42.5	177.2	168.6	0	0	0	0	111.4	L227 G237 Y238 L244 A245 M275 V278 L279 I329 A332	L227-V241 HydrophobicContact CD1-CG2 4.47Å; L227-V241 HydrophobicContact CD2-CG2 3.73Å; G237-V241 WeakPolarHBondContact O-CB 3.49Å; G237-V241 WeakPolarHBondContact O-CG2 3.4Å; G237-V241 PolarHBondContact O-N 3.31Å; Y238-V241 PolarHBondContact O-N 3.37Å; V241-L244 PolarHBondContact O-N 3.4Å; V241-A245 WeakPolarHBondContact O-CB 3.4Å; V241-A245 PolarHBondContact O-N 2.52Å; V241-M275 HydrophobicContact CG1-CE 4.31Å; V241-M275 HydrophobicContact CG2-CG 4.12Å; V241-V278 HydrophobicContact CB-CG1 4.26Å; V241-V278 HydrophobicContact CG2-CB 4.08Å; V241-V278 HydrophobicContact CG2-CG1 3.79Å; V241-L279 HydrophobicContact CG1-CD2 3.93Å; V241-I329 HydrophobicContact CG1-CD1 4.45Å; V241-A332 HydrophobicContact CG1-CB 3.3Å
242	V	96.8	Very high	95.1	Very high	2 Å²	2	23 Å²	23	1%	0.012	12%	0.117	C	C	.	.	H	α-helix	trans	-64.9	-44.1	176.6	171.8	0	0	0	0	111.1	L196 Y238 D239 L244 A245 L246 A328 V698	L196-V242 HydrophobicContact CD2-CG1 4.22Å; Y238-V242 HydrophobicContact CD1-CG2 4.35Å; Y238-V242 HydrophobicContact CE1-CG2 3.94Å; Y238-V242 WeakPolarHBondContact O-CG2 3.2Å; Y238-V242 PolarHBondContact O-N 3.36Å; D239-V242 PolarHBondContact O-N 2.92Å; V242-L244 VanDerWaalsContact C-N 3.34Å; V242-L244 PolarHBondContact O-N 3.02Å; V242-A245 PolarHBondContact O-N 2.95Å; V242-L246 HydrophobicContact CG1-CD1 4.21Å; V242-L246 WeakPolarHBondContact O-CG 3.23Å; V242-L246 PolarHBondContact O-N 3.48Å; V242-A328 HydrophobicContact CG1-CB 4.17Å; V242-A328 HydrophobicContact CG2-CB 3.83Å; V242-V698 HydrophobicContact CG1-CG2 3.73Å
243	L	97.6	Very high	95	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-58.6	-46.8	176.5	177.4	60.9	0	0	0	111.3	L192 L195 L196 V199 I219 I223 D239 A240 L246 L247	L192-L243 HydrophobicContact CD2-CD2 3.94Å; L195-L243 HydrophobicContact CB-CD1 4.05Å; L195-L243 HydrophobicContact CB-CD2 3.79Å; L195-L243 HydrophobicContact CD1-CD2 3.9Å; L195-L243 HydrophobicContact CG-CD2 4.43Å; L196-L243 HydrophobicContact CD2-CB 3.92Å; L196-L243 HydrophobicContact CD2-CD1 4.16Å; V199-L243 HydrophobicContact CB-CD1 4.44Å; V199-L243 HydrophobicContact CG2-CD1 3.65Å; I219-L243 HydrophobicContact CD1-CD2 3.69Å; I219-L243 HydrophobicContact CD1-CG 4.35Å; I223-L243 HydrophobicContact CD1-CD2 4.01Å; I223-L243 HydrophobicContact CD1-CG 4.1Å; I223-L243 HydrophobicContact CG1-CD2 4.33Å; D239-L243 WeakPolarHBondContact O-CB 3.14Å; D239-L243 PolarHBondContact O-N 3.27Å; A240-L243 PolarHBondContact O-N 2.91Å; L243-L246 PolarHBondContact O-N 3.03Å; L243-L247 HydrophobicContact CD1-CD1 3.96Å; L243-L247 HydrophobicContact CD1-CG 4.31Å; L243-L247 HydrophobicContact CG-CD1 3.93Å; L243-L247 WeakPolarHBondContact O-CG 3.33Å; L243-L247 PolarHBondContact O-N 3.28Å
244	L	98	Very high	94.8	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.01	14%	0.144	C	C	.	.	H	α-helix	trans	-59.6	-47.5	176.9	-179.5	56.5	0	0	0	111.7	F220 I223 A240 V241 V242 L246 L247 V248 Y259 L263 M275	F220-L244 HydrophobicContact CD2-CD1 3.92Å; F220-L244 HydrophobicContact CE2-CD1 3.74Å; I223-L244 HydrophobicContact CD1-CB 4.43Å; I223-L244 HydrophobicContact CG2-CB 4.2Å; I223-L244 HydrophobicContact CG2-CD2 4.36Å; A240-L244 WeakPolarHBondContact O-CB 3.35Å; A240-L244 PolarHBondContact O-N 2.93Å; V241-L244 PolarHBondContact O-N 3.4Å; V242-L244 VanDerWaalsContact C-N 3.34Å; V242-L244 PolarHBondContact O-N 3.02Å; L244-L246 VanDerWaalsContact C-N 3.32Å; L244-L246 PolarHBondContact O-N 2.71Å; L244-L247 PolarHBondContact O-N 3.22Å; L244-V248 HydrophobicContact CD1-CG2 4.14Å; L244-V248 HydrophobicContact CG-CG2 4.48Å; L244-V248 WeakPolarHBondContact O-CB 3.29Å; L244-V248 VanDerWaalsContact O-CG2 3.27Å; L244-V248 WeakPolarHBondContact O-CG2 3.23Å; L244-V248 PolarHBondContact O-N 2.85Å; L244-Y259 HydrophobicContact CD1-CD1 3.98Å; L244-L263 HydrophobicContact CD2-CD1 4.36Å; L244-M275 HydrophobicContact CD2-CE 4.5Å
245	A	97.7	Very high	94.8	Very high	6 Å²	6	28.8 Å²	28.8	5%	0.05	14%	0.136	C	C	.	.	H	α-helix	trans	-60.5	-39.7	179.5	0	0	0	0	0	112.6	V241 V242 N249 L331 A332	V241-A245 WeakPolarHBondContact O-CB 3.4Å; V241-A245 PolarHBondContact O-N 2.52Å; V242-A245 PolarHBondContact O-N 2.95Å; A245-N249 PolarHBondContact O-N 2.99Å; A245-N249 PolarHBondContact O-ND2 3.15Å; A245-L331 HydrophobicContact CB-CD2 4.46Å; A245-L331 HydrophobicContact CB-CG 4.42Å; A245-A332 HydrophobicContact CB-CB 3.87Å
246	L	97.4	Very high	94.9	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-66.9	-44.7	175.3	-70.9	174.1	0	0	0	111.9	L196 V199 T200 I205 V242 L243 L244 V248 N249 Y250 V691 I694	L196-L246 HydrophobicContact CD2-CD1 4.34Å; V199-L246 HydrophobicContact CG1-CB 3.67Å; V199-L246 HydrophobicContact CG1-CD1 4.06Å; V199-L246 HydrophobicContact CG1-CG 4.46Å; T200-L246 HydrophobicContact CG2-CD1 3.89Å; I205-L246 HydrophobicContact CD1-CB 3.82Å; I205-L246 HydrophobicContact CD1-CD2 4.23Å; I205-L246 WeakPolarHBondContact CD1-O 3.5Å; V242-L246 HydrophobicContact CG1-CD1 4.21Å; V242-L246 WeakPolarHBondContact O-CG 3.23Å; V242-L246 PolarHBondContact O-N 3.48Å; L243-L246 PolarHBondContact O-N 3.03Å; L244-L246 VanDerWaalsContact C-N 3.32Å; L244-L246 PolarHBondContact O-N 2.71Å; L246-V248 PolarHBondContact O-N 3.45Å; L246-N249 PolarHBondContact O-N 3.12Å; L246-N249 VanDerWaalsContact O-N 3.07Å; L246-Y250 PolarHBondContact O-N 3.39Å; L246-V691 HydrophobicContact CD2-CG1 4.34Å; L246-I694 HydrophobicContact CD2-CG2 4.07Å
247	L	97.5	Very high	95	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.9	-39.3	179.4	-72.5	168.2	0	0	0	112.3	V199 L211 V214 M215 I219 I223 L243 L244 N249 Y250 N257 Y259	V199-L247 HydrophobicContact CG2-CD2 3.87Å; V199-L247 HydrophobicContact CG2-CG 4.3Å; L211-L247 HydrophobicContact CD2-CD2 3.99Å; V214-L247 HydrophobicContact CG1-CD2 3.9Å; M215-L247 HydrophobicContact CE-CB 4.33Å; M215-L247 HydrophobicContact CE-CD2 3.9Å; M215-L247 VanDerWaalsContact CE-O 3.3Å; M215-L247 WeakPolarHBondContact CE-O 3.36Å; I219-L247 HydrophobicContact CD1-CD1 3.96Å; I219-L247 HydrophobicContact CG1-CD1 4.26Å; I223-L247 HydrophobicContact CD1-CD1 4.17Å; L243-L247 HydrophobicContact CD1-CD1 3.96Å; L243-L247 HydrophobicContact CD1-CG 4.31Å; L243-L247 HydrophobicContact CG-CD1 3.93Å; L243-L247 WeakPolarHBondContact O-CG 3.33Å; L243-L247 PolarHBondContact O-N 3.28Å; L244-L247 PolarHBondContact O-N 3.22Å; L247-N249 PolarHBondContact O-N 2.83Å; L247-Y250 WeakPolarHBondContact O-CB 3.38Å; L247-Y250 PolarHBondContact O-N 3.23Å; L247-N257 PolarHBondContact O-ND2 3.46Å; L247-Y259 HydrophobicContact CB-CD1 3.81Å; L247-Y259 HydrophobicContact CB-CD2 4.4Å; L247-Y259 HydrophobicContact CB-CE1 4.08Å; L247-Y259 HydrophobicContact CB-CG 4.01Å; L247-Y259 HydrophobicContact CD1-CD1 4.11Å; L247-Y259 HydrophobicContact CD1-CE1 3.56Å; L247-Y259 HydrophobicContact CG-CE1 4.36Å
248	V	97.2	Very high	95.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59.2	-31.2	172.7	166.3	0	0	0	0	112	L244 L246 N257 I260 L263 E335 L339	L244-V248 HydrophobicContact CD1-CG2 4.14Å; L244-V248 HydrophobicContact CG-CG2 4.48Å; L244-V248 WeakPolarHBondContact O-CB 3.29Å; L244-V248 VanDerWaalsContact O-CG2 3.27Å; L244-V248 WeakPolarHBondContact O-CG2 3.23Å; L244-V248 PolarHBondContact O-N 2.85Å; L246-V248 PolarHBondContact O-N 3.45Å; V248-N257 PolarHBondContact O-ND2 3.19Å; V248-I260 HydrophobicContact CG1-CG1 3.91Å; V248-L263 HydrophobicContact CG2-CD2 4.01Å; V248-E335 HydrophobicContact CG1-CB 4.26Å; V248-E335 HydrophobicContact CG1-CG 3.93Å; V248-L339 HydrophobicContact CG1-CD1 3.61Å
249	N	96.4	Very high	95.2	Very high	9 Å²	9	26.7 Å²	26.7	5%	0.048	14%	0.142	C	C	.	.	H	α-helix	trans	-89.4	-5.1	-177.6	-84.7	-81	0	0	0	115	A245 L246 L247 R251 E335 V691	A245-N249 PolarHBondContact O-N 2.99Å; A245-N249 PolarHBondContact O-ND2 3.15Å; L246-N249 PolarHBondContact O-N 3.12Å; L246-N249 VanDerWaalsContact O-N 3.07Å; L247-N249 PolarHBondContact O-N 2.83Å; N249-R251 PolarHBondContact O-N 3.26Å; N249-E335 PolarHBondContact ND2-OE1 2.98Å; N249-E335 PolarHBondContact OD1-OE1 3.49Å; N249-V691 HydrophobicContact CB-CG1 4.18Å; N249-V691 HydrophobicContact CB-CG2 3.83Å
250	Y	96.1	Very high	95.3	Very high	7 Å²	7	26.6 Å²	26.6	3%	0.027	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	120.9	175.4	175.5	-108.1	0	0	0	111.9	I205 N208 L211 E212 M215 L246 L247 K252 N257	I205-Y250 HydrophobicContact CG1-CD2 4.33Å; I205-Y250 WeakPolarHBondContact O-CD2 3.5Å; I205-Y250 WeakPolarHBondContact O-CE2 3.46Å; N208-Y250 WeakPolarHBondContact O-CE2 3.44Å; N208-Y250 PolarHBondContact O-OH 3.42Å; N208-Y250 VanDerWaalsContact O-OH 3.11Å; L211-Y250 HydrophobicContact CB-CD1 4.21Å; L211-Y250 HydrophobicContact CB-CD2 3.75Å; L211-Y250 HydrophobicContact CB-CE1 4.06Å; L211-Y250 HydrophobicContact CB-CE2 3.6Å; L211-Y250 HydrophobicContact CB-CG 4.04Å; L211-Y250 HydrophobicContact CD1-CD2 3.46Å; L211-Y250 VanDerWaalsContact CD1-CD2 3.46Å; L211-Y250 HydrophobicContact CD1-CE2 3.99Å; L211-Y250 HydrophobicContact CD1-CG 3.95Å; L211-Y250 HydrophobicContact CG-CD2 4.23Å; L211-Y250 HydrophobicContact CG-CE2 4.36Å; E212-Y250 WeakPolarHBondContact CG-OH 3.5Å; M215-Y250 HydrophobicContact CE-CD1 3.55Å; M215-Y250 HydrophobicContact CE-CG 3.84Å; M215-Y250 HydrophobicContact CG-CD1 3.82Å; M215-Y250 HydrophobicContact CG-CE1 4.03Å; M215-Y250 HydrophobicContact SD-CD1 4.38Å; L246-Y250 PolarHBondContact O-N 3.39Å; L247-Y250 WeakPolarHBondContact O-CB 3.38Å; L247-Y250 PolarHBondContact O-N 3.23Å; Y250-K252 PolarHBondContact O-N 3.37Å; Y250-N257 PolarHBondContact O-ND2 3.36Å
251	R	93.4	Very high	95.3	Very high	58 Å²	58	30 Å²	30	22%	0.219	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.6	31.3	179.4	-70.8	-167.6	-177	161.8	7	113.9	S206 E212 N249 Y253 E254 S255	S206-R251 PolarHBondContact O-NE 3.32Å; S206-R251 VanDerWaalsContact O-NE 3.14Å; S206-R251 PolarHBondContact OG-N 3.38Å; E212-R251 IonicContact OE1-CZ 3.41Å; E212-R251 IonicContact OE1-NH1 3.05Å; E212-R251 PolarHBondContact OE1-NH1 3.3Å; E212-R251 IonicContact OE1-NH2 2.86Å; E212-R251 PolarHBondContact OE1-NH2 3.16Å; N249-R251 PolarHBondContact O-N 3.26Å; R251-Y253 PolarHBondContact O-N 3.35Å; R251-E254 HydrophobicContact CB-CB 4.23Å; R251-E254 IonicContact NE-OE2 3.18Å; R251-E254 PolarHBondContact O-N 3.31Å; R251-S255 WeakPolarHBondContact CB-OG 3.17Å; R251-S255 PolarHBondContact O-N 2.79Å; R251-S255 VanDerWaalsContact O-N 3.14Å
252	K	92.6	Very high	95.2	Very high	30 Å²	30	32.7 Å²	32.7	13%	0.13	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-32.3	-176.3	-178.9	168.6	-165.6	-174.8	0	113.2	Y250 I260 E335 E679	Y250-K252 PolarHBondContact O-N 3.37Å; K252-I260 HydrophobicContact CB-CD1 4.36Å; K252-I260 HydrophobicContact CD-CD1 4.42Å; K252-I260 HydrophobicContact CG-CD1 3.76Å; K252-E335 IonicContact NZ-OE1 3.14Å; K252-E335 PolarHBondContact NZ-OE1 2.86Å; K252-E335 IonicContact NZ-OE2 2.56Å; K252-E335 PolarHBondContact NZ-OE2 3.34Å; K252-E679 WeakPolarHBondContact CD-OE1 3.42Å; K252-E679 WeakPolarHBondContact CE-OE1 3.3Å; K252-E679 WeakPolarHBondContact CE-OE2 3.48Å; K252-E679 VanDerWaalsContact NZ-CD 3.31Å; K252-E679 IonicContact NZ-OE1 3.54Å; K252-E679 PolarHBondContact NZ-OE1 3.39Å; K252-E679 VanDerWaalsContact NZ-OE1 3.09Å; K252-E679 IonicContact NZ-OE2 3.17Å; K252-E679 PolarHBondContact NZ-OE2 3.37Å
253	Y	90.1	Very high	95.2	Very high	48 Å²	48	32.8 Å²	32.8	19%	0.188	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-7.5	-175.6	-57.4	-49.3	0	0	0	115.4	R251 E679 Q680 A684 F687 K688	R251-Y253 PolarHBondContact O-N 3.35Å; Y253-E679 HydrophobicContact CE1-CG 4.38Å; Y253-E679 WeakPolarHBondContact CE1-OE1 3.3Å; Y253-E679 PolarHBondContact OH-OE1 3.12Å; Y253-Q680 VanDerWaalsContact CB-NE2 3.28Å; Y253-Q680 HydrophobicContact CD1-CG 3.66Å; Y253-Q680 VanDerWaalsContact CD1-NE2 3.31Å; Y253-Q680 HydrophobicContact CE1-CG 3.94Å; Y253-Q680 HydrophobicContact CG-CG 4.47Å; Y253-A684 HydrophobicContact CD2-CB 4.26Å; Y253-A684 HydrophobicContact CE1-CB 4.15Å; Y253-A684 HydrophobicContact CE2-CB 3.86Å; Y253-F687 WeakPolarHBondContact OH-CB 3.47Å; Y253-K688 HydrophobicContact CD2-CG 4.47Å; Y253-K688 HydrophobicContact CE2-CG 4.2Å
254	E	88.9	Confident	95.2	Very high	122 Å²	122	35 Å²	35	57%	0.57	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.8	-28.8	-169	-64.6	173.6	-165.6	0	0	111.7	R251	R251-E254 HydrophobicContact CB-CB 4.23Å; R251-E254 IonicContact NE-OE2 3.18Å; R251-E254 PolarHBondContact O-N 3.31Å
255	S	89.6	Confident	95.1	Very high	59 Å²	59	40.3 Å²	40.3	41%	0.413	22%	0.216	S	C	.	.	S	Bend	trans	-151	163	-177.5	56.2	0	0	0	0	111.6	R251 N257	R251-S255 WeakPolarHBondContact CB-OG 3.17Å; R251-S255 PolarHBondContact O-N 2.79Å; R251-S255 VanDerWaalsContact O-N 3.14Å; S255-N257 PolarHBondContact O-N 3.02Å
256	V	91.9	Very high	95.1	Very high	130 Å²	130	40.6 Å²	40.6	79%	0.788	22%	0.217	S	C	*	.			trans	-65.7	115.7	171.9	-179.4	0	0	0	0	109	V261	V256-V261 HydrophobicContact CG1-CG2 4.21Å
257	N	95.6	Very high	94.9	Very high	5 Å²	5	46.8 Å²	46.8	3%	0.027	25%	0.25	C	S	.	.			trans	-91.9	121.1	176	-177.7	-35.6	0	0	0	109.8	L247 V248 Y250 S255 Y259 I260 V261	L247-N257 PolarHBondContact O-ND2 3.46Å; V248-N257 PolarHBondContact O-ND2 3.19Å; Y250-N257 PolarHBondContact O-ND2 3.36Å; S255-N257 PolarHBondContact O-N 3.02Å; N257-Y259 VanDerWaalsContact C-N 3.29Å; N257-Y259 PolarHBondContact O-N 2.85Å; N257-Y259 WeakPolarHBondContact OD1-CB 3.41Å; N257-Y259 PolarHBondContact OD1-N 3.31Å; N257-I260 HydrophobicContact CB-CB 4.38Å; N257-I260 HydrophobicContact CB-CD1 3.68Å; N257-I260 HydrophobicContact CB-CG1 3.88Å; N257-I260 WeakPolarHBondContact O-CB 3.26Å; N257-I260 PolarHBondContact O-N 3.23Å; N257-V261 PolarHBondContact O-N 2.93Å
258	P	96.2	Very high	94.6	Very high	43 Å²	43	50 Å²	50	28%	0.279	27%	0.267	S	S	.	.	H	α-helix	trans	-65.3	-28.7	-178.2	25.2	-32.4	0	0	0	113.4	M215 V261 K262	M215-P258 HydrophobicContact CB-CG 4.08Å; M215-P258 HydrophobicContact CG-CG 4.45Å; M215-P258 HydrophobicContact SD-CG 3.84Å; P258-V261 PolarHBondContact O-N 3.37Å; P258-K262 WeakPolarHBondContact O-CB 3.49Å; P258-K262 WeakPolarHBondContact O-CG 3.25Å; P258-K262 PolarHBondContact O-N 2.92Å
259	Y	97.4	Very high	94.3	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-70.3	-32.6	177.9	-72	-108.7	0	0	0	111.7	M215 I219 F220 L244 L247 N257 L263	M215-Y259 HydrophobicContact CE-CD2 3.97Å; M215-Y259 HydrophobicContact CE-CE2 4.15Å; M215-Y259 HydrophobicContact SD-CD2 3.3Å; M215-Y259 WeakPolarHBondContact SD-CD2 3.3Å; M215-Y259 HydrophobicContact SD-CE2 3.41Å; M215-Y259 WeakPolarHBondContact SD-CE2 3.46Å; M215-Y259 HydrophobicContact SD-CG 4.5Å; I219-Y259 HydrophobicContact CG1-CE1 4.45Å; I219-Y259 VanDerWaalsContact CG1-OH 3.26Å; I219-Y259 WeakPolarHBondContact CG1-OH 3.36Å; I219-Y259 PolarHBondContact N-OH 3.07Å; F220-Y259 HydrophobicContact CB-CD1 4.31Å; F220-Y259 HydrophobicContact CB-CE1 3.87Å; F220-Y259 AromaticContact CD2-CD1 3.56Å; F220-Y259 HydrophobicContact CD2-CD1 3.56Å; F220-Y259 AromaticContact CD2-CE1 3.95Å; F220-Y259 HydrophobicContact CD2-CE1 3.95Å; F220-Y259 HydrophobicContact CD2-CG 4.34Å; F220-Y259 HydrophobicContact CE2-CD1 4.4Å; F220-Y259 HydrophobicContact CG-CD1 4.42Å; F220-Y259 HydrophobicContact CG-CE1 4.43Å; L244-Y259 HydrophobicContact CD1-CD1 3.98Å; L247-Y259 HydrophobicContact CB-CD1 3.81Å; L247-Y259 HydrophobicContact CB-CD2 4.4Å; L247-Y259 HydrophobicContact CB-CE1 4.08Å; L247-Y259 HydrophobicContact CB-CG 4.01Å; L247-Y259 HydrophobicContact CD1-CD1 4.11Å; L247-Y259 HydrophobicContact CD1-CE1 3.56Å; L247-Y259 HydrophobicContact CG-CE1 4.36Å; N257-Y259 VanDerWaalsContact C-N 3.29Å; N257-Y259 PolarHBondContact O-N 2.85Å; N257-Y259 WeakPolarHBondContact OD1-CB 3.41Å; N257-Y259 PolarHBondContact OD1-N 3.31Å; Y259-L263 WeakPolarHBondContact O-CB 3.36Å; Y259-L263 PolarHBondContact O-N 3.2Å
260	I	96.8	Very high	94.1	Very high	36 Å²	36	58.7 Å²	58.7	19%	0.185	31%	0.313	C	S	.	.	H	α-helix	trans	-61.9	-50.4	171.3	-65.4	174.7	0	0	0	109.7	V248 K252 N257 L263 S264 L339	V248-I260 HydrophobicContact CG1-CG1 3.91Å; K252-I260 HydrophobicContact CB-CD1 4.36Å; K252-I260 HydrophobicContact CD-CD1 4.42Å; K252-I260 HydrophobicContact CG-CD1 3.76Å; N257-I260 HydrophobicContact CB-CB 4.38Å; N257-I260 HydrophobicContact CB-CD1 3.68Å; N257-I260 HydrophobicContact CB-CG1 3.88Å; N257-I260 WeakPolarHBondContact O-CB 3.26Å; N257-I260 PolarHBondContact O-N 3.23Å; I260-L263 PolarHBondContact O-N 3.32Å; I260-S264 WeakPolarHBondContact O-CB 3.39Å; I260-S264 PolarHBondContact O-N 3.35Å; I260-S264 PolarHBondContact O-OG 3.41Å; I260-L339 HydrophobicContact CG1-CD1 4.44Å; I260-L339 HydrophobicContact CG2-CD1 4.19Å; I260-L339 HydrophobicContact CG2-CD2 3.94Å
261	V	96.6	Very high	94	Very high	72 Å²	72	58.6 Å²	58.6	44%	0.436	31%	0.314	S	S	.	.	H	α-helix	trans	-60.9	-51	-179.2	179	0	0	0	0	110	V256 N257 P258 S264 I265	V256-V261 HydrophobicContact CG1-CG2 4.21Å; N257-V261 PolarHBondContact O-N 2.93Å; P258-V261 PolarHBondContact O-N 3.37Å; V261-S264 PolarHBondContact O-N 3.16Å; V261-S264 PolarHBondContact O-OG 3.14Å; V261-I265 WeakPolarHBondContact O-CG1 3.47Å; V261-I265 PolarHBondContact O-N 3.19Å
262	K	96.4	Very high	94.1	Very high	57 Å²	57	56.2 Å²	56.2	25%	0.248	31%	0.305	C	S	.	.	H	α-helix	trans	-59.4	-49.7	179.8	-74.5	-170.1	171	-157.8	0	111.8	S218 F220 E221 P258 S264 I265 V266	S218-K262 PolarHBondContact OG-NZ 3.38Å; F220-K262 HydrophobicContact CB-CD 3.78Å; F220-K262 HydrophobicContact CD1-CB 3.96Å; F220-K262 HydrophobicContact CD1-CD 3.54Å; F220-K262 HydrophobicContact CD1-CG 4.36Å; F220-K262 HydrophobicContact CD2-CB 4.1Å; F220-K262 HydrophobicContact CD2-CD 4.17Å; F220-K262 HydrophobicContact CE1-CB 3.62Å; F220-K262 HydrophobicContact CE1-CD 4.07Å; F220-K262 HydrophobicContact CE1-CG 4.42Å; F220-K262 HydrophobicContact CE2-CB 3.79Å; F220-K262 HydrophobicContact CG-CB 4.17Å; F220-K262 HydrophobicContact CG-CD 3.57Å; F220-K262 HydrophobicContact CZ-CB 3.55Å; E221-K262 IonicContact OE1-NZ 3.62Å; E221-K262 PolarHBondContact OE1-NZ 3.44Å; P258-K262 WeakPolarHBondContact O-CB 3.49Å; P258-K262 WeakPolarHBondContact O-CG 3.25Å; P258-K262 PolarHBondContact O-N 2.92Å; K262-S264 VanDerWaalsContact C-N 3.28Å; K262-S264 PolarHBondContact O-N 2.91Å; K262-I265 VanDerWaalsContact O-CG1 3.23Å; K262-I265 WeakPolarHBondContact O-CG1 3.39Å; K262-I265 PolarHBondContact O-N 2.79Å; K262-V266 VanDerWaalsContact O-CG2 3.29Å; K262-V266 WeakPolarHBondContact O-CG2 3.33Å; K262-V266 PolarHBondContact O-N 3.49Å
263	L	96.9	Very high	94.1	Very high	4 Å²	4	56.6 Å²	56.6	2%	0.021	31%	0.309	C	S	.	.	H	α-helix	trans	-60	-37.7	178.4	-177.2	57.8	0	0	0	112.2	F220 L244 V248 Y259 I260 I265 V266 L339 N340	F220-L263 HydrophobicContact CE2-CB 4.33Å; F220-L263 HydrophobicContact CZ-CB 4.45Å; L244-L263 HydrophobicContact CD2-CD1 4.36Å; V248-L263 HydrophobicContact CG2-CD2 4.01Å; Y259-L263 WeakPolarHBondContact O-CB 3.36Å; Y259-L263 PolarHBondContact O-N 3.2Å; I260-L263 PolarHBondContact O-N 3.32Å; L263-I265 PolarHBondContact O-N 2.88Å; L263-V266 PolarHBondContact O-N 3.19Å; L263-L339 HydrophobicContact CD2-CD1 4.08Å; L263-N340 PolarHBondContact O-ND2 3.29Å
264	S	96.7	Very high	94.3	Very high	45 Å²	45	54.3 Å²	54.3	32%	0.315	30%	0.3	S	S	.	.	H	α-helix	trans	-67.4	-22.4	-179.5	74.1	0	0	0	0	114.6	I260 V261 K262 L339	I260-S264 WeakPolarHBondContact O-CB 3.39Å; I260-S264 PolarHBondContact O-N 3.35Å; I260-S264 PolarHBondContact O-OG 3.41Å; V261-S264 PolarHBondContact O-N 3.16Å; V261-S264 PolarHBondContact O-OG 3.14Å; K262-S264 VanDerWaalsContact C-N 3.28Å; K262-S264 PolarHBondContact O-N 2.91Å; S264-L339 WeakPolarHBondContact CA-O 3.46Å; S264-L339 WeakPolarHBondContact CB-O 3.27Å
265	I	96.4	Very high	94.6	Very high	115 Å²	115	48.9 Å²	48.9	59%	0.59	27%	0.274	S	S	*	.	H	α-helix	trans	-106.1	-3.8	-177.9	66.8	173	0	0	0	113.6	V261 K262 L263 D267	V261-I265 WeakPolarHBondContact O-CG1 3.47Å; V261-I265 PolarHBondContact O-N 3.19Å; K262-I265 VanDerWaalsContact O-CG1 3.23Å; K262-I265 WeakPolarHBondContact O-CG1 3.39Å; K262-I265 PolarHBondContact O-N 2.79Å; L263-I265 PolarHBondContact O-N 2.88Å; I265-D267 PolarHBondContact O-N 2.84Å
266	V	96.3	Very high	94.9	Very high	12 Å²	12	46 Å²	46	7%	0.073	26%	0.255	C	S	.	.			trans	-59.4	124	175.9	179.4	0	0	0	0	109.3	F220 L224 K262 L263 D268 T271 L272 N340 N342	F220-V266 HydrophobicContact CE1-CG2 3.94Å; F220-V266 HydrophobicContact CZ-CG2 3.71Å; L224-V266 HydrophobicContact CD1-CG1 4.43Å; L224-V266 HydrophobicContact CD1-CG2 4.04Å; K262-V266 VanDerWaalsContact O-CG2 3.29Å; K262-V266 WeakPolarHBondContact O-CG2 3.33Å; K262-V266 PolarHBondContact O-N 3.49Å; L263-V266 PolarHBondContact O-N 3.19Å; V266-D268 HydrophobicContact CG1-CB 4.36Å; V266-T271 HydrophobicContact CG1-CG2 4.43Å; V266-L272 HydrophobicContact CB-CD2 4.32Å; V266-L272 HydrophobicContact CG1-CD1 4.39Å; V266-L272 HydrophobicContact CG1-CD2 3.9Å; V266-L272 HydrophobicContact CG1-CG 3.94Å; V266-N340 PolarHBondContact O-ND2 3.42Å; V266-N342 PolarHBondContact O-ND2 2.82Å
267	D	93.7	Very high	95	Very high	131 Å²	131	41.1 Å²	41.1	70%	0.701	23%	0.225	S	C	*	.			trans	-124.1	1.3	175.5	61.4	-9.1	0	0	0	112.8	I265 E269	I265-D267 PolarHBondContact O-N 2.84Å; D267-E269 PolarHBondContact O-N 3.44Å; D267-E269 VanDerWaalsContact O-N 3.13Å
268	D	92.1	Very high	95	Very high	67 Å²	67	41.2 Å²	41.2	36%	0.358	23%	0.226	S	C	.	.			trans	-67.1	106.9	173.8	-175.9	66.5	0	0	0	110.9	V266 P270 T271 L272	V266-D268 HydrophobicContact CG1-CB 4.36Å; D268-P270 WeakPolarHBondContact OD1-CD 3.3Å; D268-T271 PolarHBondContact O-N 3.43Å; D268-T271 WeakPolarHBondContact OD2-CB 3.46Å; D268-T271 PolarHBondContact OD2-N 3.46Å; D268-T271 PolarHBondContact OD2-OG1 3.36Å; D268-L272 WeakPolarHBondContact O-CG 3.25Å; D268-L272 PolarHBondContact O-N 3.33Å; D268-L272 VanDerWaalsContact O-N 3.08Å
269	E	90.6	Very high	95	Very high	124 Å²	124	39.1 Å²	39.1	58%	0.579	21%	0.212	S	C	*	.	H	α-helix	trans	-59.1	-47.8	-178.5	-177.2	176.6	-162.7	0	0	112.3	D267 T271 L272 D273	D267-E269 PolarHBondContact O-N 3.44Å; D267-E269 VanDerWaalsContact O-N 3.13Å; E269-T271 VanDerWaalsContact C-N 3.31Å; E269-T271 PolarHBondContact O-N 3.04Å; E269-L272 PolarHBondContact O-N 2.97Å; E269-D273 VanDerWaalsContact O-CB 3.27Å; E269-D273 WeakPolarHBondContact O-CB 3.45Å; E269-D273 PolarHBondContact O-N 3.1Å
270	P	91.8	Very high	94.8	Very high	67 Å²	67	40.6 Å²	40.6	44%	0.435	22%	0.219	S	C	.	.	H	α-helix	trans	-55.1	-41.8	176.4	-25.8	34	0	0	0	114.3	D268 G274	D268-P270 WeakPolarHBondContact OD1-CD 3.3Å; P270-G274 PolarHBondContact O-N 3.48Å
271	T	93.5	Very high	94.6	Very high	6 Å²	6	43.8 Å²	43.8	4%	0.037	23%	0.233	C	C	.	.	H	α-helix	trans	-65.4	-49.8	176.8	-66.3	0	0	0	0	111.8	L224 L227 S228 V266 D268 E269 G274 M275	L224-T271 HydrophobicContact CB-CG2 3.84Å; L224-T271 HydrophobicContact CD1-CG2 4.07Å; L224-T271 HydrophobicContact CD2-CG2 3.65Å; L224-T271 HydrophobicContact CG-CG2 4.01Å; L227-T271 HydrophobicContact CB-CG2 4.43Å; S228-T271 PolarHBondContact OG-OG1 3.24Å; V266-T271 HydrophobicContact CG1-CG2 4.43Å; D268-T271 PolarHBondContact O-N 3.43Å; D268-T271 WeakPolarHBondContact OD2-CB 3.46Å; D268-T271 PolarHBondContact OD2-N 3.46Å; D268-T271 PolarHBondContact OD2-OG1 3.36Å; E269-T271 VanDerWaalsContact C-N 3.31Å; E269-T271 PolarHBondContact O-N 3.04Å; T271-G274 PolarHBondContact O-N 3.17Å; T271-M275 PolarHBondContact O-N 3.22Å
272	L	95.4	Very high	94.4	Very high	8 Å²	8	41.4 Å²	41.4	4%	0.042	22%	0.221	C	C	.	.	H	α-helix	trans	-66.5	-42	-177.1	-67.9	175.6	0	0	0	111.2	V266 D268 E269 G274 M275 G276 N342 F343 V346	V266-L272 HydrophobicContact CB-CD2 4.32Å; V266-L272 HydrophobicContact CG1-CD1 4.39Å; V266-L272 HydrophobicContact CG1-CD2 3.9Å; V266-L272 HydrophobicContact CG1-CG 3.94Å; D268-L272 WeakPolarHBondContact O-CG 3.25Å; D268-L272 PolarHBondContact O-N 3.33Å; D268-L272 VanDerWaalsContact O-N 3.08Å; E269-L272 PolarHBondContact O-N 2.97Å; L272-G274 VanDerWaalsContact C-N 3.3Å; L272-G274 PolarHBondContact O-N 3.31Å; L272-M275 WeakPolarHBondContact O-CB 3.47Å; L272-M275 PolarHBondContact O-N 3.47Å; L272-G276 PolarHBondContact O-N 3.43Å; L272-N342 HydrophobicContact CD1-CB 3.69Å; L272-F343 HydrophobicContact CD2-CD2 4.25Å; L272-V346 HydrophobicContact CB-CG2 3.88Å
273	D	93.7	Very high	94.3	Very high	38 Å²	38	38.7 Å²	38.7	20%	0.203	21%	0.209	C	C	.	.	H	α-helix	trans	-60.6	-42.8	172.7	-70.2	2.5	0	0	0	110.4	E269 M275 G276 V277 Q349	E269-D273 VanDerWaalsContact O-CB 3.27Å; E269-D273 WeakPolarHBondContact O-CB 3.45Å; E269-D273 PolarHBondContact O-N 3.1Å; D273-M275 PolarHBondContact O-N 2.89Å; D273-G276 CarbonylContact O-C 3.32Å; D273-G276 WeakPolarHBondContact O-CA 3.1Å; D273-G276 PolarHBondContact O-N 3.2Å; D273-G276 VanDerWaalsContact O-N 3.13Å; D273-V277 WeakPolarHBondContact O-CG2 3.35Å; D273-V277 PolarHBondContact O-N 3.25Å; D273-Q349 VanDerWaalsContact OD1-CD 3.31Å; D273-Q349 PolarHBondContact OD1-NE2 3.3Å; D273-Q349 PolarHBondContact OD1-OE1 3.25Å; D273-Q349 PolarHBondContact OD2-NE2 3.3Å
274	G	94.2	Very high	94	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.5	-44	175.3	0	0	0	0	0	113.5	L227 R233 P270 T271 L272 G276 V277 V278	L227-G274 WeakPolarHBondContact O-CA 3.48Å; R233-G274 VanDerWaalsContact CD-O 3.28Å; R233-G274 WeakPolarHBondContact CD-O 3.21Å; P270-G274 PolarHBondContact O-N 3.48Å; T271-G274 PolarHBondContact O-N 3.17Å; L272-G274 VanDerWaalsContact C-N 3.3Å; L272-G274 PolarHBondContact O-N 3.31Å; G274-G276 VanDerWaalsContact C-N 3.32Å; G274-G276 PolarHBondContact O-N 3.01Å; G274-V277 PolarHBondContact O-N 2.94Å; G274-V278 WeakPolarHBondContact O-CG2 3.32Å; G274-V278 PolarHBondContact O-N 3.37Å; G274-V278 VanDerWaalsContact O-N 3.13Å
275	M	96	Very high	93.7	Very high	7 Å²	7	42.5 Å²	42.5	3%	0.034	23%	0.226	C	C	.	.	H	α-helix	trans	-60.2	-43.8	171.6	-172.9	176.2	-173.5	0	0	111.1	L227 V241 L244 T271 L272 D273 V277 V278 L279 A336 F343	L227-M275 HydrophobicContact CD1-CB 4.29Å; V241-M275 HydrophobicContact CG1-CE 4.31Å; V241-M275 HydrophobicContact CG2-CG 4.12Å; L244-M275 HydrophobicContact CD2-CE 4.5Å; T271-M275 PolarHBondContact O-N 3.22Å; L272-M275 WeakPolarHBondContact O-CB 3.47Å; L272-M275 PolarHBondContact O-N 3.47Å; D273-M275 PolarHBondContact O-N 2.89Å; M275-V277 PolarHBondContact O-N 2.95Å; M275-V278 PolarHBondContact O-N 3.31Å; M275-L279 HydrophobicContact CE-CD1 4.42Å; M275-L279 HydrophobicContact CG-CD1 4.12Å; M275-L279 VanDerWaalsContact O-CG 3.31Å; M275-L279 WeakPolarHBondContact O-CG 3.45Å; M275-L279 PolarHBondContact O-N 3.03Å; M275-A336 HydrophobicContact CE-CB 3.72Å; M275-A336 HydrophobicContact SD-CB 4.08Å; M275-F343 HydrophobicContact CB-CE2 4.22Å; M275-F343 HydrophobicContact CG-CE2 4.18Å; M275-F343 HydrophobicContact SD-CE2 4.32Å
276	G	95.1	Very high	93.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-58.2	-44.3	175.9	0	0	0	0	0	113.2	L272 D273 G274 L279 H280	L272-G276 PolarHBondContact O-N 3.43Å; D273-G276 CarbonylContact O-C 3.32Å; D273-G276 WeakPolarHBondContact O-CA 3.1Å; D273-G276 PolarHBondContact O-N 3.2Å; D273-G276 VanDerWaalsContact O-N 3.13Å; G274-G276 VanDerWaalsContact C-N 3.32Å; G274-G276 PolarHBondContact O-N 3.01Å; G276-L279 PolarHBondContact O-N 3.47Å; G276-H280 VanDerWaalsContact O-CB 3.24Å; G276-H280 WeakPolarHBondContact O-CB 3.21Å; G276-H280 PolarHBondContact O-N 2.8Å
277	V	94.1	Very high	93.1	Very high	27 Å²	27	38 Å²	38	16%	0.164	20%	0.201	C	C	.	.	H	α-helix	trans	-61.8	-44.9	177.2	168.7	0	0	0	0	111.4	D273 G274 M275 H280 Q281	D273-V277 WeakPolarHBondContact O-CG2 3.35Å; D273-V277 PolarHBondContact O-N 3.25Å; G274-V277 PolarHBondContact O-N 2.94Å; M275-V277 PolarHBondContact O-N 2.95Å; V277-H280 PolarHBondContact O-N 3.24Å; V277-Q281 HydrophobicContact CG1-CG 4.36Å; V277-Q281 WeakPolarHBondContact O-CB 3.4Å; V277-Q281 VanDerWaalsContact O-CG 3.27Å; V277-Q281 WeakPolarHBondContact O-CG 3.48Å; V277-Q281 PolarHBondContact O-N 3.16Å
278	V	95.4	Very high	92.9	Very high	6 Å²	6	37.3 Å²	37.3	4%	0.036	19%	0.189	C	C	.	.	H	α-helix	trans	-62.1	-46.9	178.2	173.6	0	0	0	0	110.9	L227 R233 V241 G274 M275 H280 Q281 A282	L227-V278 HydrophobicContact CD2-CG2 4.23Å; R233-V278 HydrophobicContact CG-CG2 3.62Å; V241-V278 HydrophobicContact CB-CG1 4.26Å; V241-V278 HydrophobicContact CG2-CB 4.08Å; V241-V278 HydrophobicContact CG2-CG1 3.79Å; G274-V278 WeakPolarHBondContact O-CG2 3.32Å; G274-V278 PolarHBondContact O-N 3.37Å; G274-V278 VanDerWaalsContact O-N 3.13Å; M275-V278 PolarHBondContact O-N 3.31Å; V278-H280 VanDerWaalsContact C-N 3.33Å; V278-H280 PolarHBondContact O-N 3.21Å; V278-Q281 PolarHBondContact O-N 2.89Å; V278-A282 WeakPolarHBondContact O-CB 3.33Å; V278-A282 PolarHBondContact O-N 3.34Å
279	L	95.8	Very high	92.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.1	-42.8	177.3	-67.3	170.3	0	0	0	111.1	V241 M275 G276 A282 L283 I329 A332 L333 F343 L398	V241-L279 HydrophobicContact CG1-CD2 3.93Å; M275-L279 HydrophobicContact CE-CD1 4.42Å; M275-L279 HydrophobicContact CG-CD1 4.12Å; M275-L279 VanDerWaalsContact O-CG 3.31Å; M275-L279 WeakPolarHBondContact O-CG 3.45Å; M275-L279 PolarHBondContact O-N 3.03Å; G276-L279 PolarHBondContact O-N 3.47Å; L279-A282 PolarHBondContact O-N 3.03Å; L279-L283 WeakPolarHBondContact O-CB 3.19Å; L279-L283 VanDerWaalsContact O-CG 3.29Å; L279-L283 WeakPolarHBondContact O-CG 3.45Å; L279-L283 PolarHBondContact O-N 3.05Å; L279-I329 HydrophobicContact CD2-CD1 4.32Å; L279-I329 HydrophobicContact CD2-CG2 3.86Å; L279-A332 HydrophobicContact CD2-CB 3.97Å; L279-L333 HydrophobicContact CD1-CB 4.34Å; L279-L333 HydrophobicContact CD1-CD1 4.1Å; L279-L333 HydrophobicContact CD2-CB 4.32Å; L279-F343 HydrophobicContact CD1-CE1 4.35Å; L279-F343 HydrophobicContact CD1-CE2 4.43Å; L279-F343 HydrophobicContact CD1-CZ 3.66Å; L279-L398 HydrophobicContact CB-CD1 4.06Å; L279-L398 HydrophobicContact CB-CD2 4.24Å
280	H	93.7	Very high	92.4	Very high	30 Å²	30	32.7 Å²	32.7	14%	0.139	16%	0.164	C	C	.	.	H	α-helix	trans	-61.8	-46.9	177.7	177	86.9	0	0	0	111.6	G276 V277 V278 L283 T284 L398 T401	G276-H280 VanDerWaalsContact O-CB 3.24Å; G276-H280 WeakPolarHBondContact O-CB 3.21Å; G276-H280 PolarHBondContact O-N 2.8Å; V277-H280 PolarHBondContact O-N 3.24Å; V278-H280 VanDerWaalsContact C-N 3.33Å; V278-H280 PolarHBondContact O-N 3.21Å; H280-L283 PolarHBondContact O-N 2.85Å; H280-T284 WeakPolarHBondContact O-CB 3.48Å; H280-T284 PolarHBondContact O-N 3.39Å; H280-T284 PolarHBondContact O-OG1 3Å; H280-L398 HydrophobicContact CB-CD1 3.96Å; H280-T401 PolarHBondContact CE1-OG1 2.99Å; H280-T401 PolarHBondContact ND1-OG1 3.43Å
281	Q	92.4	Very high	92	Very high	104 Å²	104	34.7 Å²	34.7	49%	0.486	17%	0.166	S	C	.	.	H	α-helix	trans	-61.4	-46.3	178.1	-74.8	173.5	-8.3	0	0	111.5	V277 V278 L283 T284 E285	V277-Q281 HydrophobicContact CG1-CG 4.36Å; V277-Q281 WeakPolarHBondContact O-CB 3.4Å; V277-Q281 VanDerWaalsContact O-CG 3.27Å; V277-Q281 WeakPolarHBondContact O-CG 3.48Å; V277-Q281 PolarHBondContact O-N 3.16Å; V278-Q281 PolarHBondContact O-N 2.89Å; Q281-L283 PolarHBondContact O-N 3.35Å; Q281-T284 PolarHBondContact O-N 2.88Å; Q281-E285 WeakPolarHBondContact O-CB 3.43Å; Q281-E285 PolarHBondContact O-N 3.14Å
282	A	92.8	Very high	91.5	Very high	21 Å²	21	37.3 Å²	37.3	17%	0.174	18%	0.18	C	C	.	.	H	α-helix	trans	-64	-42.5	-179.6	0	0	0	0	0	112.8	V278 L279 Y286 I329	V278-A282 WeakPolarHBondContact O-CB 3.33Å; V278-A282 PolarHBondContact O-N 3.34Å; L279-A282 PolarHBondContact O-N 3.03Å; A282-Y286 PolarHBondContact O-N 3.25Å; A282-I329 HydrophobicContact CB-CB 4.49Å; A282-I329 HydrophobicContact CB-CD1 3.94Å; A282-I329 HydrophobicContact CB-CG1 3.85Å; A282-I329 HydrophobicContact CB-CG2 3.95Å
283	L	93.3	Very high	90.8	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-71.5	-35.6	176.5	-64.4	175.6	0	0	0	112.1	L279 H280 Q281 Y286 N287 I329 L330 L333 L398 T401 F402 Y405	L279-L283 WeakPolarHBondContact O-CB 3.19Å; L279-L283 VanDerWaalsContact O-CG 3.29Å; L279-L283 WeakPolarHBondContact O-CG 3.45Å; L279-L283 PolarHBondContact O-N 3.05Å; H280-L283 PolarHBondContact O-N 2.85Å; Q281-L283 PolarHBondContact O-N 3.35Å; L283-Y286 PolarHBondContact O-N 2.81Å; L283-N287 VanDerWaalsContact O-CG 3.24Å; L283-N287 PolarHBondContact O-N 3.26Å; L283-N287 PolarHBondContact O-ND2 3.23Å; L283-I329 HydrophobicContact CD2-CG2 4.04Å; L283-I329 HydrophobicContact CG-CG2 4.18Å; L283-L330 HydrophobicContact CD2-CD2 4.3Å; L283-L333 HydrophobicContact CD1-CD2 4.2Å; L283-L398 HydrophobicContact CD1-CD1 4.02Å; L283-T401 HydrophobicContact CB-CG2 3.61Å; L283-F402 HydrophobicContact CD1-CB 4.13Å; L283-F402 HydrophobicContact CD1-CD2 4.31Å; L283-Y405 HydrophobicContact CD2-CD1 4.14Å; L283-Y405 HydrophobicContact CD2-CD2 3.58Å; L283-Y405 HydrophobicContact CD2-CE1 4.39Å; L283-Y405 HydrophobicContact CD2-CE2 3.84Å; L283-Y405 HydrophobicContact CD2-CG 3.76Å
284	T	91.8	Very high	89.9	Confident	56 Å²	56	41.8 Å²	41.8	34%	0.344	20%	0.198	S	C	.	.	H	α-helix	trans	-64.7	-43.4	175.9	-62.2	0	0	0	0	111.1	H280 Q281 Y286 N287 R288 T401	H280-T284 WeakPolarHBondContact O-CB 3.48Å; H280-T284 PolarHBondContact O-N 3.39Å; H280-T284 PolarHBondContact O-OG1 3Å; Q281-T284 PolarHBondContact O-N 2.88Å; T284-Y286 VanDerWaalsContact C-N 3.32Å; T284-Y286 PolarHBondContact O-N 3.48Å; T284-N287 WeakPolarHBondContact O-CB 3.28Å; T284-N287 PolarHBondContact O-N 3.24Å; T284-R288 WeakPolarHBondContact O-CB 3.42Å; T284-R288 PolarHBondContact O-N 3.45Å; T284-T401 VanDerWaalsContact OG1-CG2 3.23Å; T284-T401 WeakPolarHBondContact OG1-CG2 3.13Å
285	E	90.5	Very high	89	Confident	72 Å²	72	47 Å²	47	34%	0.336	22%	0.223	S	C	.	.	H	α-helix	trans	-61.8	-40.2	176.6	178.6	54.2	-157.1	0	0	111.6	Q281 R288 Q289	Q281-E285 WeakPolarHBondContact O-CB 3.43Å; Q281-E285 PolarHBondContact O-N 3.14Å; E285-R288 PolarHBondContact O-N 3.48Å; E285-R288 IonicContact OE1-CZ 2.82Å; E285-R288 IonicContact OE1-NE 3.79Å; E285-R288 IonicContact OE1-NH2 3.63Å; E285-R288 PolarHBondContact OE1-NH2 2.92Å; E285-R288 IonicContact OE2-CZ 2.74Å; E285-R288 IonicContact OE2-NE 3.16Å; E285-R288 PolarHBondContact OE2-NE 3.32Å; E285-R288 IonicContact OE2-NH2 3.49Å; E285-R288 PolarHBondContact OE2-NH2 3.43Å; E285-Q289 VanDerWaalsContact O-CG 3.29Å; E285-Q289 WeakPolarHBondContact O-CG 3.41Å; E285-Q289 PolarHBondContact O-N 3.32Å; E285-Q289 WeakPolarHBondContact OE1-CG 3.31Å; E285-Q289 PolarHBondContact OE1-NE2 3.03Å
286	Y	90	Very high	87.8	Confident	17 Å²	17	53.5 Å²	53.5	7%	0.067	25%	0.253	C	S	.	.	H	α-helix	trans	-61.6	-47.4	172.8	-177.9	-87.2	0	0	0	112.3	A282 L283 T284 R288 Q289 Y290 V323 Q324 T325 Y405 I408 V409	A282-Y286 PolarHBondContact O-N 3.25Å; L283-Y286 PolarHBondContact O-N 2.81Å; T284-Y286 VanDerWaalsContact C-N 3.32Å; T284-Y286 PolarHBondContact O-N 3.48Å; Y286-R288 VanDerWaalsContact C-N 3.27Å; Y286-R288 PolarHBondContact O-N 3.24Å; Y286-Q289 PolarHBondContact O-N 3.17Å; Y286-Y290 PolarHBondContact O-N 2.66Å; Y286-V323 HydrophobicContact CD2-CB 4.29Å; Y286-V323 HydrophobicContact CD2-CG1 3.52Å; Y286-V323 HydrophobicContact CE2-CB 3.66Å; Y286-V323 HydrophobicContact CE2-CG1 3.35Å; Y286-V323 HydrophobicContact CG-CG1 4.39Å; Y286-V323 PolarHBondContact OH-O 3.49Å; Y286-Q324 WeakPolarHBondContact CE2-O 3.42Å; Y286-T325 HydrophobicContact CE2-CG2 4.16Å; Y286-Y405 AromaticContact CD1-CD2 3.23Å; Y286-Y405 HydrophobicContact CD1-CD2 3.23Å; Y286-Y405 AromaticContact CD1-CE2 3.29Å; Y286-Y405 HydrophobicContact CD1-CE2 3.29Å; Y286-Y405 HydrophobicContact CD1-CG 4.33Å; Y286-Y405 AromaticContact CD2-CE2 3.92Å; Y286-Y405 HydrophobicContact CD2-CE2 3.92Å; Y286-Y405 AromaticContact CE1-CD2 3.82Å; Y286-Y405 HydrophobicContact CE1-CD2 3.82Å; Y286-Y405 AromaticContact CE1-CE2 3.66Å; Y286-Y405 HydrophobicContact CE1-CE2 3.66Å; Y286-Y405 HydrophobicContact CE2-CE2 4.25Å; Y286-Y405 AromaticContact CG-CD2 3.69Å; Y286-Y405 HydrophobicContact CG-CD2 3.69Å; Y286-Y405 AromaticContact CG-CE2 3.43Å; Y286-Y405 HydrophobicContact CG-CE2 3.43Å; Y286-Y405 VanDerWaalsContact CG-CE2 3.43Å; Y286-I408 HydrophobicContact CE1-CB 4.25Å; Y286-I408 HydrophobicContact CE1-CD1 4.46Å; Y286-I408 HydrophobicContact CE1-CG2 3.76Å; Y286-V409 HydrophobicContact CE1-CG2 4.26Å
287	N	90.3	Very high	86.2	Confident	15 Å²	15	57.1 Å²	57.1	8%	0.08	27%	0.272	C	S	.	.	H	α-helix	trans	-58.6	-41.3	177.8	-70.1	-24.6	0	0	0	111.4	L283 T284 Y290 K291 T401 Y405 I408	L283-N287 VanDerWaalsContact O-CG 3.24Å; L283-N287 PolarHBondContact O-N 3.26Å; L283-N287 PolarHBondContact O-ND2 3.23Å; T284-N287 WeakPolarHBondContact O-CB 3.28Å; T284-N287 PolarHBondContact O-N 3.24Å; N287-Y290 PolarHBondContact O-N 3.28Å; N287-K291 WeakPolarHBondContact O-CB 3.37Å; N287-K291 PolarHBondContact O-N 3.49Å; N287-T401 PolarHBondContact ND2-O 2.88Å; N287-T401 VanDerWaalsContact ND2-O 3.09Å; N287-Y405 WeakPolarHBondContact OD1-CA 3.48Å; N287-Y405 WeakPolarHBondContact OD1-CB 3.19Å; N287-Y405 PolarHBondContact OD1-N 3.47Å; N287-I408 HydrophobicContact CB-CD1 4.43Å; N287-I408 WeakPolarHBondContact OD1-CD1 3.43Å
288	R	88.9	Confident	84.4	Confident	118 Å²	118	61.3 Å²	61.3	45%	0.445	29%	0.29	S	S	.	.	H	α-helix	trans	-63.5	-50.8	176.9	-168.6	-171.3	71.8	71	6.5	111.4	T284 E285 Y286 Y290 K291 D292	T284-R288 WeakPolarHBondContact O-CB 3.42Å; T284-R288 PolarHBondContact O-N 3.45Å; E285-R288 PolarHBondContact O-N 3.48Å; E285-R288 IonicContact OE1-CZ 2.82Å; E285-R288 IonicContact OE1-NE 3.79Å; E285-R288 IonicContact OE1-NH2 3.63Å; E285-R288 PolarHBondContact OE1-NH2 2.92Å; E285-R288 IonicContact OE2-CZ 2.74Å; E285-R288 IonicContact OE2-NE 3.16Å; E285-R288 PolarHBondContact OE2-NE 3.32Å; E285-R288 IonicContact OE2-NH2 3.49Å; E285-R288 PolarHBondContact OE2-NH2 3.43Å; Y286-R288 VanDerWaalsContact C-N 3.27Å; Y286-R288 PolarHBondContact O-N 3.24Å; R288-Y290 VanDerWaalsContact C-N 3.25Å; R288-Y290 PolarHBondContact O-N 2.94Å; R288-K291 PolarHBondContact O-N 3.42Å; R288-K291 VanDerWaalsContact O-N 3.12Å; R288-D292 IonicContact CZ-OD2 3.72Å; R288-D292 IonicContact NH1-OD2 3.37Å; R288-D292 PolarHBondContact NH1-OD2 3.09Å; R288-D292 VanDerWaalsContact O-CG 3.27Å; R288-D292 PolarHBondContact O-N 2.86Å
289	Q	86.9	Confident	82.3	Confident	74 Å²	74	64.1 Å²	64.1	35%	0.346	32%	0.321	S	S	.	.	H	α-helix	trans	-58.9	-36.2	178.1	-73.2	176.7	20.4	0	0	113	E285 Y286 K293 V323	E285-Q289 VanDerWaalsContact O-CG 3.29Å; E285-Q289 WeakPolarHBondContact O-CG 3.41Å; E285-Q289 PolarHBondContact O-N 3.32Å; E285-Q289 WeakPolarHBondContact OE1-CG 3.31Å; E285-Q289 PolarHBondContact OE1-NE2 3.03Å; Y286-Q289 PolarHBondContact O-N 3.17Å; Q289-K293 WeakPolarHBondContact O-CG 3.3Å; Q289-K293 PolarHBondContact O-N 2.99Å; Q289-V323 HydrophobicContact CB-CG1 4.15Å; Q289-V323 HydrophobicContact CB-CG2 4.35Å
290	Y	85.6	Confident	79.8	Confident	19 Å²	19	65.8 Å²	65.8	8%	0.075	34%	0.338	C	S	.	.	H	α-helix	trans	-68	-47.5	174.9	-178.6	-89.7	0	0	0	111.5	Y286 N287 R288 D292 K293 E294 L321 V323 I408 Q411 H454	Y286-Y290 PolarHBondContact O-N 2.66Å; N287-Y290 PolarHBondContact O-N 3.28Å; R288-Y290 VanDerWaalsContact C-N 3.25Å; R288-Y290 PolarHBondContact O-N 2.94Å; Y290-D292 PolarHBondContact O-N 3.07Å; Y290-K293 PolarHBondContact O-N 3.47Å; Y290-E294 HydrophobicContact CE1-CB 4.44Å; Y290-E294 PolarHBondContact O-N 3.07Å; Y290-L321 HydrophobicContact CD2-CD2 4.07Å; Y290-L321 HydrophobicContact CE2-CD2 3.53Å; Y290-V323 HydrophobicContact CD2-CG2 4.42Å; Y290-I408 HydrophobicContact CD1-CD1 3.82Å; Y290-I408 HydrophobicContact CD1-CG1 3.9Å; Y290-I408 HydrophobicContact CD1-CG2 4.03Å; Y290-I408 HydrophobicContact CD2-CG2 3.29Å; Y290-I408 HydrophobicContact CE1-CG1 4.16Å; Y290-I408 HydrophobicContact CE1-CG2 4.23Å; Y290-I408 HydrophobicContact CE2-CG2 3.49Å; Y290-I408 VanDerWaalsContact CE2-CG2 3.49Å; Y290-I408 HydrophobicContact CG-CD1 3.92Å; Y290-I408 HydrophobicContact CG-CG1 4.17Å; Y290-I408 HydrophobicContact CG-CG2 3.56Å; Y290-Q411 PolarHBondContact OH-OE1 2.98Å; Y290-H454 AromaticContact CE1-CD2 3.88Å
291	K	83.6	Confident	77.7	Confident	109 Å²	109	73.7 Å²	73.7	47%	0.474	37%	0.372	S	S	.	.	H	α-helix	trans	-58.2	-46.5	178.3	-175	-175	173	-167.7	0	111.6	N287 R288 K293 E294 E295	N287-K291 WeakPolarHBondContact O-CB 3.37Å; N287-K291 PolarHBondContact O-N 3.49Å; R288-K291 PolarHBondContact O-N 3.42Å; R288-K291 VanDerWaalsContact O-N 3.12Å; K291-K293 VanDerWaalsContact C-N 3.33Å; K291-K293 PolarHBondContact O-N 3.08Å; K291-E294 PolarHBondContact O-N 3.48Å; K291-E294 VanDerWaalsContact O-N 3.15Å; K291-E295 WeakPolarHBondContact CE-OE1 3.39Å; K291-E295 WeakPolarHBondContact O-CG 3.44Å; K291-E295 PolarHBondContact O-N 3.39Å
292	D	82.9	Confident	75.4	Confident	62 Å²	62	76.7 Å²	76.7	33%	0.332	38%	0.384	S	S	.	.	H	α-helix	trans	-57.1	-46.4	177.6	-65.7	-12.6	0	0	0	110.8	R288 Y290 E294 E295 E296	R288-D292 IonicContact CZ-OD2 3.72Å; R288-D292 IonicContact NH1-OD2 3.37Å; R288-D292 PolarHBondContact NH1-OD2 3.09Å; R288-D292 VanDerWaalsContact O-CG 3.27Å; R288-D292 PolarHBondContact O-N 2.86Å; Y290-D292 PolarHBondContact O-N 3.07Å; D292-E294 PolarHBondContact O-N 3.16Å; D292-E295 PolarHBondContact O-N 3.32Å; D292-E296 WeakPolarHBondContact O-CG 3.41Å; D292-E296 PolarHBondContact O-N 2.74Å
293	K	80.1	Confident	73.1	Confident	78 Å²	78	78.6 Å²	78.6	34%	0.339	40%	0.396	S	S	.	.	H	α-helix	trans	-66.7	-35.5	177	-75.5	-179.3	-179	174.1	0	113.3	Q289 Y290 K291 N297 L321 S322 V323	Q289-K293 WeakPolarHBondContact O-CG 3.3Å; Q289-K293 PolarHBondContact O-N 2.99Å; Y290-K293 PolarHBondContact O-N 3.47Å; K291-K293 VanDerWaalsContact C-N 3.33Å; K291-K293 PolarHBondContact O-N 3.08Å; K293-N297 WeakPolarHBondContact O-CB 3.27Å; K293-N297 PolarHBondContact O-N 3.05Å; K293-N297 VanDerWaalsContact O-N 3.15Å; K293-N297 PolarHBondContact O-ND2 3.42Å; K293-L321 HydrophobicContact CB-CD2 4.45Å; K293-S322 PolarHBondContact NZ-O 2.82Å; K293-V323 HydrophobicContact CD-CG2 3.72Å
294	E	75.5	Confident	70.8	Confident	62 Å²	62	83.8 Å²	83.8	29%	0.29	43%	0.428	S	S	.	.	H	α-helix	trans	-65.3	-44	176.4	-166.8	-174.2	173.7	0	0	110.7	Y290 K291 D292 N297 Q298 L321 H454	Y290-E294 HydrophobicContact CE1-CB 4.44Å; Y290-E294 PolarHBondContact O-N 3.07Å; K291-E294 PolarHBondContact O-N 3.48Å; K291-E294 VanDerWaalsContact O-N 3.15Å; D292-E294 PolarHBondContact O-N 3.16Å; E294-N297 PolarHBondContact O-N 2.8Å; E294-Q298 VanDerWaalsContact O-CG 3.31Å; E294-Q298 WeakPolarHBondContact O-CG 3.34Å; E294-Q298 PolarHBondContact O-N 3.34Å; E294-Q298 VanDerWaalsContact O-N 3.14Å; E294-Q298 PolarHBondContact OE1-NE2 3.22Å; E294-L321 HydrophobicContact CB-CD2 4.38Å; E294-H454 IonicContact OE2-CD2 3.67Å
295	E	74.1	Confident	68.6	Low	110 Å²	110	87.4 Å²	87.4	51%	0.514	44%	0.444	S	S	.	.	H	α-helix	trans	-65.8	-42.3	176.9	-71.4	-178.3	-173.8	0	0	112.3	K291 D292 N297 Q298 G299	K291-E295 WeakPolarHBondContact CE-OE1 3.39Å; K291-E295 WeakPolarHBondContact O-CG 3.44Å; K291-E295 PolarHBondContact O-N 3.39Å; D292-E295 PolarHBondContact O-N 3.32Å; E295-N297 VanDerWaalsContact C-N 3.34Å; E295-N297 PolarHBondContact O-N 3Å; E295-Q298 PolarHBondContact O-N 3.43Å; E295-Q298 VanDerWaalsContact O-N 3.12Å; E295-G299 PolarHBondContact O-N 2.85Å
296	E	70.3	Confident	66.4	Low	143 Å²	143	89.2 Å²	89.2	67%	0.668	46%	0.461	S	S	*	.	H	α-helix	trans	-58.2	-44.4	174.7	-77.6	-179	174.2	0	0	112.3	D292 Q298 G299 G300	D292-E296 WeakPolarHBondContact O-CG 3.41Å; D292-E296 PolarHBondContact O-N 2.74Å; E296-Q298 VanDerWaalsContact C-N 3.27Å; E296-Q298 PolarHBondContact O-N 3Å; E296-G299 PolarHBondContact O-N 3.29Å; E296-G300 PolarHBondContact O-N 3.16Å
297	N	61.5	Low	64.1	Low	75 Å²	75	93.4 Å²	93.4	40%	0.401	49%	0.492	S	S	.	.	H	α-helix	trans	-66.9	-28.1	177.5	-83.4	-24.2	0	0	0	112.8	K293 E294 E295 K320 L321	K293-N297 WeakPolarHBondContact O-CB 3.27Å; K293-N297 PolarHBondContact O-N 3.05Å; K293-N297 VanDerWaalsContact O-N 3.15Å; K293-N297 PolarHBondContact O-ND2 3.42Å; E294-N297 PolarHBondContact O-N 2.8Å; E295-N297 VanDerWaalsContact C-N 3.34Å; E295-N297 PolarHBondContact O-N 3Å; N297-K320 PolarHBondContact ND2-O 3.23Å; N297-L321 WeakPolarHBondContact ND2-CD1 3.39Å; N297-L321 WeakPolarHBondContact ND2-CG 3.49Å
298	Q	58.3	Low	61.8	Low	115 Å²	115	101 Å²	101	54%	0.537	53%	0.53	S	S	.	.	H	α-helix	trans	-83.9	-31.1	176.3	-68.4	-176.5	35.3	0	0	112.9	E294 E295 E296	E294-Q298 VanDerWaalsContact O-CG 3.31Å; E294-Q298 WeakPolarHBondContact O-CG 3.34Å; E294-Q298 PolarHBondContact O-N 3.34Å; E294-Q298 VanDerWaalsContact O-N 3.14Å; E294-Q298 PolarHBondContact OE1-NE2 3.22Å; E295-Q298 PolarHBondContact O-N 3.43Å; E295-Q298 VanDerWaalsContact O-N 3.12Å; E296-Q298 VanDerWaalsContact C-N 3.27Å; E296-Q298 PolarHBondContact O-N 3Å
299	G	50.9	Low	59.6	Low	66 Å²	66	101.7 Å²	101.7	68%	0.68	55%	0.546	S	S	*	.	H	α-helix	trans	-88.3	-7.6	-175.9	0	0	0	0	0	116.4	E295 E296 F301	E295-G299 PolarHBondContact O-N 2.85Å; E296-G299 PolarHBondContact O-N 3.29Å; G299-F301 PolarHBondContact O-N 3.2Å
300	G	42.5	Very low	57	Low	35 Å²	35	100.6 Å²	100.6	36%	0.361	56%	0.555	S	S	.	*			trans	-67.3	118.9	176.7	0	0	0	0	0	112.6	E296 F302 S303	E296-G300 PolarHBondContact O-N 3.16Å; G300-F302 PolarHBondContact O-N 3.45Å; G300-S303 PolarHBondContact O-N 2.99Å; G300-S303 PolarHBondContact O-OG 3.23Å
301	F	48.7	Very low	54.6	Low	196 Å²	196	105.7 Å²	105.7	86%	0.86	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.1	-3.7	-179.5	-147.9	-96.5	0	0	0	115.9	G299	G299-F301 PolarHBondContact O-N 3.2Å
302	F	45.8	Very low	52.1	Low	166 Å²	166	108.3 Å²	108.3	73%	0.728	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.4	-11.5	177	-73.7	-80.5	0	0	0	114.9	G300 T304 L305	G300-F302 PolarHBondContact O-N 3.45Å; F302-T304 PolarHBondContact O-N 3.25Å; F302-L305 PolarHBondContact O-N 2.84Å
303	S	44.5	Very low	49.7	Very low	62 Å²	62	114 Å²	114	43%	0.434	63%	0.631	S	S	.	*	H	α-helix	trans	-68.4	-20.3	-178	70.6	0	0	0	0	113.6	G300	G300-S303 PolarHBondContact O-N 2.99Å; G300-S303 PolarHBondContact O-OG 3.23Å
304	T	44.4	Very low	47.7	Very low	109 Å²	109	117 Å²	117	67%	0.669	65%	0.649	S	S	*	*	H	α-helix	trans	-79.8	-24.3	-179.3	-28.4	0	0	0	0	113	F302	F302-T304 PolarHBondContact O-N 3.25Å
305	L	45.1	Very low	45.5	Very low	132 Å²	132	117.6 Å²	117.6	69%	0.691	67%	0.665	S	S	*	*	H	α-helix	trans	-85.7	-27.5	-178.9	-83.6	161.9	0	0	0	113.3	F302 S307	F302-L305 PolarHBondContact O-N 2.84Å; L305-S307 VanDerWaalsContact C-N 3.29Å; L305-S307 PolarHBondContact O-N 2.73Å
306	T	45.5	Very low	43.6	Very low	111 Å²	111	119.2 Å²	119.2	68%	0.681	68%	0.677	S	S	*	*	H	α-helix	trans	-75.3	-18	176.9	-41.7	0	0	0	0	112.9	M308	T306-M308 VanDerWaalsContact C-N 3.3Å; T306-M308 PolarHBondContact O-N 3Å
307	S	40.8	Very low	41.9	Very low	105 Å²	105	118.4 Å²	118.4	73%	0.734	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	-17.9	179.2	178.5	0	0	0	0	114	L305	L305-S307 VanDerWaalsContact C-N 3.29Å; L305-S307 PolarHBondContact O-N 2.73Å
308	M	42.5	Very low	40.7	Very low	175 Å²	175	120.4 Å²	120.4	86%	0.862	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.6	-11.4	-167	-120.4	177.6	153.6	0	0	115	T306	T306-M308 VanDerWaalsContact C-N 3.3Å; T306-M308 PolarHBondContact O-N 3Å
309	V	41.7	Very low	39.8	Very low	132 Å²	132	123.2 Å²	123.2	80%	0.8	71%	0.705	S	S	*	*	S	Bend	trans	-143.7	99.1	177.3	-173.8	0	0	0	0	109.2
310	G	32.1	Very low	39.5	Very low	50 Å²	50	127.7 Å²	127.7	52%	0.515	71%	0.706	S	S	.	*			trans	169.3	26.1	177.8	0	0	0	0	0	118.5	M312	G310-M312 PolarHBondContact O-N 3.06Å
311	S	35.6	Very low	39.9	Very low	126 Å²	126	129.3 Å²	129.3	88%	0.881	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	65.7	171.1	56.6	0	0	0	0	111.6
312	M	31.1	Very low	40	Very low	165 Å²	165	123.7 Å²	123.7	81%	0.813	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-170.7	-6.1	155.8	-142	170.3	148.8	0	0	116.6	G310	G310-M312 PolarHBondContact O-N 3.06Å
313	F	33.3	Very low	40.8	Very low	180 Å²	180	116.1 Å²	116.1	79%	0.789	66%	0.659	S	S	*	*			trans	-149	94.7	176.6	-80.3	-87.6	0	0	0	109.7
314	I	37.4	Very low	42	Very low	141 Å²	141	119.3 Å²	119.3	72%	0.723	67%	0.667	S	S	*	*			trans	-116.5	73.9	155.6	-57.7	177.6	0	0	0	105	V317	I314-V317 HydrophobicContact CG2-CG2 3.9Å
315	A	29.8	Very low	43.6	Very low	75 Å²	75	114.6 Å²	114.6	62%	0.62	64%	0.638	S	S	*	*			trans	-84.8	135.2	148.9	0	0	0	0	0	105.8
316	D	33.9	Very low	45.4	Very low	145 Å²	145	110.2 Å²	110.2	78%	0.775	62%	0.615	S	S	*	*			trans	67	66.7	166.3	-55.1	-23.8	0	0	0	118.5
317	V	34.5	Very low	47.6	Very low	126 Å²	126	105.5 Å²	105.5	76%	0.764	59%	0.585	S	S	*	*			trans	-108	35.3	146.6	-165	0	0	0	0	109.1	I314 E319	I314-V317 HydrophobicContact CG2-CG2 3.9Å; V317-E319 VanDerWaalsContact C-N 3.3Å; V317-E319 PolarHBondContact O-N 3.31Å
318	D	36.1	Very low	50.1	Low	117 Å²	117	100.8 Å²	100.8	63%	0.626	55%	0.553	S	S	*	*			trans	-87.6	12.8	-176.3	-108.4	-12.9	0	0	0	112.9	K414	D318-K414 IonicContact OD1-NZ 3.05Å; D318-K414 PolarHBondContact OD1-NZ 3.48Å; D318-K414 IonicContact OD2-NZ 3.83Å; D318-K414 PolarHBondContact OD2-NZ 2.82Å; D318-K414 VanDerWaalsContact OD2-NZ 3.08Å
319	E	40.7	Very low	52.6	Low	173 Å²	173	92.5 Å²	92.5	81%	0.808	51%	0.512	S	S	*	.	S	Bend	trans	-111	-4.4	-167.9	-129.6	-176.3	-162.1	0	0	118.5	V317	V317-E319 VanDerWaalsContact C-N 3.3Å; V317-E319 PolarHBondContact O-N 3.31Å
320	K	43.8	Very low	55.2	Low	161 Å²	161	86.2 Å²	86.2	70%	0.7	47%	0.474	S	S	*	.	S	Bend	trans	-141.6	60.3	-166.6	-69.8	-172.8	179.5	178	0	118.1	N297	N297-K320 PolarHBondContact ND2-O 3.23Å
321	L	51.1	Low	58.4	Low	68 Å²	68	83.9 Å²	83.9	36%	0.356	45%	0.45	S	S	.	.			trans	-151.6	21.8	156.2	-107.5	137.8	0	0	0	113.6	Y290 K293 E294 N297 V323	Y290-L321 HydrophobicContact CD2-CD2 4.07Å; Y290-L321 HydrophobicContact CE2-CD2 3.53Å; K293-L321 HydrophobicContact CB-CD2 4.45Å; E294-L321 HydrophobicContact CB-CD2 4.38Å; N297-L321 WeakPolarHBondContact ND2-CD1 3.39Å; N297-L321 WeakPolarHBondContact ND2-CG 3.49Å; L321-V323 PolarHBondContact O-N 3.45Å
322	S	51.3	Low	61.3	Low	79 Å²	79	78 Å²	78	55%	0.552	41%	0.408	S	S	*	.			trans	-79.1	103.6	-178.9	173.8	0	0	0	0	110.7	K293	K293-S322 PolarHBondContact NZ-O 2.82Å
323	V	61.7	Low	64.5	Low	7 Å²	7	70.2 Å²	70.2	4%	0.042	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-91.3	125.8	157.3	-175.1	0	0	0	0	106.4	Y286 Q289 Y290 K293 L321 T325	Y286-V323 HydrophobicContact CD2-CB 4.29Å; Y286-V323 HydrophobicContact CD2-CG1 3.52Å; Y286-V323 HydrophobicContact CE2-CB 3.66Å; Y286-V323 HydrophobicContact CE2-CG1 3.35Å; Y286-V323 HydrophobicContact CG-CG1 4.39Å; Y286-V323 PolarHBondContact OH-O 3.49Å; Q289-V323 HydrophobicContact CB-CG1 4.15Å; Q289-V323 HydrophobicContact CB-CG2 4.35Å; Y290-V323 HydrophobicContact CD2-CG2 4.42Å; K293-V323 HydrophobicContact CD-CG2 3.72Å; L321-V323 PolarHBondContact O-N 3.45Å; V323-T325 PolarHBondContact O-N 3.2Å
324	Q	69.4	Low	67.6	Low	129 Å²	129	61.7 Å²	61.7	60%	0.603	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-62.7	121.9	179.7	-173.8	172.5	9.9	0	0	109.7	Y286 N697	Y286-Q324 WeakPolarHBondContact CE2-O 3.42Å; Q324-N697 PolarHBondContact NE2-ND2 3.34Å
325	T	78.1	Confident	70.4	Confident	9 Å²	9	55 Å²	55	6%	0.055	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-69	141.3	179.1	45.9	0	0	0	0	110.8	Y286 V323 E327 V409 H417 S421	Y286-T325 HydrophobicContact CE2-CG2 4.16Å; V323-T325 PolarHBondContact O-N 3.2Å; T325-E327 PolarHBondContact O-N 3.41Å; T325-V409 HydrophobicContact CG2-CG1 4.32Å; T325-V409 HydrophobicContact CG2-CG2 3.71Å; T325-H417 PolarHBondContact OG1-CE1 2.97Å; T325-H417 PolarHBondContact OG1-ND1 3.3Å; T325-S421 PolarHBondContact OG1-OG 3.29Å
326	N	83.8	Confident	73.6	Confident	41 Å²	41	51.5 Å²	51.5	22%	0.219	27%	0.269	C	S	.	.			trans	-94.6	84.2	179.3	-164	-29.1	0	0	0	111.1	Y238 A328 I329 L330	Y238-N326 VanDerWaalsContact CE2-ND2 3.34Å; Y238-N326 WeakPolarHBondContact CE2-ND2 3.47Å; Y238-N326 PolarHBondContact OH-ND2 2.77Å; Y238-N326 PolarHBondContact OH-OD1 2.99Å; N326-A328 PolarHBondContact O-N 2.78Å; N326-A328 PolarHBondContact OD1-N 3.24Å; N326-I329 HydrophobicContact CB-CB 4.22Å; N326-I329 HydrophobicContact CB-CG1 4.35Å; N326-I329 VanDerWaalsContact CG-CG1 3.48Å; N326-I329 WeakPolarHBondContact ND2-CG1 3.33Å; N326-I329 PolarHBondContact O-N 2.88Å; N326-I329 WeakPolarHBondContact OD1-CG1 3.48Å; N326-I329 PolarHBondContact OD1-N 3.49Å; N326-I329 VanDerWaalsContact OD1-N 3.17Å; N326-L330 PolarHBondContact O-N 3.44Å; N326-L330 VanDerWaalsContact O-N 3.15Å
327	E	90.8	Very high	76.6	Confident	12 Å²	12	45.1 Å²	45.1	6%	0.056	24%	0.236	C	C	.	.	H	α-helix	trans	-63.4	-29.1	-179.8	-73.1	-179	152.2	0	0	113.3	T325 L330 L331 H417 S421 L690 I694	T325-E327 PolarHBondContact O-N 3.41Å; E327-L330 PolarHBondContact O-N 3.49Å; E327-L331 WeakPolarHBondContact O-CB 3.15Å; E327-L331 PolarHBondContact O-N 2.8Å; E327-H417 IonicContact OE1-CE1 2.73Å; E327-H417 PolarHBondContact OE1-CE1 2.97Å; E327-H417 VanDerWaalsContact OE1-CE1 3.26Å; E327-H417 IonicContact OE1-CG 3.79Å; E327-H417 IonicContact OE1-ND1 2.66Å; E327-H417 PolarHBondContact OE1-ND1 3.14Å; E327-H417 IonicContact OE2-CE1 3.15Å; E327-H417 PolarHBondContact OE2-CE1 2.73Å; E327-H417 IonicContact OE2-ND1 3.08Å; E327-H417 IonicContact OE2-NE2 2.8Å; E327-S421 WeakPolarHBondContact CG-OG 3.34Å; E327-S421 PolarHBondContact OE1-OG 2.98Å; E327-L690 HydrophobicContact CB-CD1 4.05Å; E327-L690 HydrophobicContact CG-CD1 4.1Å; E327-I694 HydrophobicContact CB-CD1 4.03Å; E327-I694 HydrophobicContact CB-CG1 3.81Å; E327-I694 WeakPolarHBondContact O-CD1 3.5Å
328	A	93.7	Very high	79.5	Confident	6 Å²	6	42.3 Å²	42.3	5%	0.05	21%	0.214	C	C	.	.	H	α-helix	trans	-66.1	-42.6	178.1	0	0	0	0	0	111.5	V242 N326 L331 A332 I694	V242-A328 HydrophobicContact CG1-CB 4.17Å; V242-A328 HydrophobicContact CG2-CB 3.83Å; N326-A328 PolarHBondContact O-N 2.78Å; N326-A328 PolarHBondContact OD1-N 3.24Å; A328-L331 PolarHBondContact O-N 3.15Å; A328-A332 WeakPolarHBondContact O-CB 3.41Å; A328-A332 PolarHBondContact O-N 3.24Å; A328-I694 HydrophobicContact CB-CG2 3.75Å
329	I	95.6	Very high	82.4	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-69.2	-39	176.1	-69	-64.8	0	0	0	111.5	Y238 V241 L279 A282 L283 N326 A332 L333	Y238-I329 HydrophobicContact CD2-CD1 3.76Å; Y238-I329 HydrophobicContact CD2-CG1 4.22Å; Y238-I329 HydrophobicContact CE2-CD1 3.6Å; Y238-I329 HydrophobicContact CE2-CG1 3.57Å; V241-I329 HydrophobicContact CG1-CD1 4.45Å; L279-I329 HydrophobicContact CD2-CD1 4.32Å; L279-I329 HydrophobicContact CD2-CG2 3.86Å; A282-I329 HydrophobicContact CB-CB 4.49Å; A282-I329 HydrophobicContact CB-CD1 3.94Å; A282-I329 HydrophobicContact CB-CG1 3.85Å; A282-I329 HydrophobicContact CB-CG2 3.95Å; L283-I329 HydrophobicContact CD2-CG2 4.04Å; L283-I329 HydrophobicContact CG-CG2 4.18Å; N326-I329 HydrophobicContact CB-CB 4.22Å; N326-I329 HydrophobicContact CB-CG1 4.35Å; N326-I329 VanDerWaalsContact CG-CG1 3.48Å; N326-I329 WeakPolarHBondContact ND2-CG1 3.33Å; N326-I329 PolarHBondContact O-N 2.88Å; N326-I329 WeakPolarHBondContact OD1-CG1 3.48Å; N326-I329 PolarHBondContact OD1-N 3.49Å; N326-I329 VanDerWaalsContact OD1-N 3.17Å; I329-A332 PolarHBondContact O-N 2.99Å; I329-L333 WeakPolarHBondContact O-CB 3.12Å; I329-L333 PolarHBondContact O-N 3.14Å
330	L	96.4	Very high	85	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-65.2	-40.2	173.6	-71.3	179.5	0	0	0	112.4	L283 N326 E327 A332 L333 Y334 F402 Y405 L424 I428	L283-L330 HydrophobicContact CD2-CD2 4.3Å; N326-L330 PolarHBondContact O-N 3.44Å; N326-L330 VanDerWaalsContact O-N 3.15Å; E327-L330 PolarHBondContact O-N 3.49Å; L330-A332 VanDerWaalsContact C-N 3.33Å; L330-L333 PolarHBondContact O-N 3.35Å; L330-Y334 WeakPolarHBondContact O-CB 3.43Å; L330-Y334 PolarHBondContact O-N 3.36Å; L330-F402 HydrophobicContact CD2-CD2 4.5Å; L330-F402 HydrophobicContact CD2-CE2 4.09Å; L330-Y405 HydrophobicContact CD1-CE1 3.78Å; L330-Y405 HydrophobicContact CD2-CD1 4.11Å; L330-Y405 HydrophobicContact CD2-CE1 3.58Å; L330-Y405 HydrophobicContact CG-CE1 3.98Å; L330-L424 HydrophobicContact CB-CD2 3.41Å; L330-L424 VanDerWaalsContact CB-CD2 3.41Å; L330-L424 HydrophobicContact CB-CG 4.08Å; L330-L424 HydrophobicContact CD1-CD2 4.23Å; L330-L424 HydrophobicContact CG-CD2 4.49Å; L330-I428 HydrophobicContact CD2-CD1 4.32Å
331	L	97.4	Very high	87.3	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-61.9	-44.6	174.3	178.9	65.1	0	0	0	110.2	A245 E327 A328 L333 Y334 E335 F687 L690 V691 I694	A245-L331 HydrophobicContact CB-CD2 4.46Å; A245-L331 HydrophobicContact CB-CG 4.42Å; E327-L331 WeakPolarHBondContact O-CB 3.15Å; E327-L331 PolarHBondContact O-N 2.8Å; A328-L331 PolarHBondContact O-N 3.15Å; L331-L333 PolarHBondContact O-N 2.98Å; L331-Y334 HydrophobicContact CD1-CD1 4.3Å; L331-Y334 WeakPolarHBondContact O-CB 3.38Å; L331-Y334 PolarHBondContact O-N 2.75Å; L331-E335 HydrophobicContact CD1-CG 4.34Å; L331-E335 HydrophobicContact CG-CG 4.48Å; L331-E335 WeakPolarHBondContact O-CG 3.23Å; L331-E335 PolarHBondContact O-N 3.4Å; L331-F687 HydrophobicContact CD1-CD1 3.91Å; L331-F687 HydrophobicContact CD1-CE1 3.9Å; L331-L690 HydrophobicContact CD1-CD2 4.3Å; L331-V691 HydrophobicContact CD2-CG2 3.85Å; L331-I694 HydrophobicContact CB-CD1 3.84Å; L331-I694 HydrophobicContact CD2-CD1 3.61Å; L331-I694 HydrophobicContact CG-CD1 4.33Å
332	A	97.8	Very high	89.4	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.008	15%	0.15	C	C	.	.	H	α-helix	trans	-62	-42.8	177	0	0	0	0	0	112.9	V241 A245 L279 A328 I329 L330 Y334 E335 A336	V241-A332 HydrophobicContact CG1-CB 3.3Å; A245-A332 HydrophobicContact CB-CB 3.87Å; L279-A332 HydrophobicContact CD2-CB 3.97Å; A328-A332 WeakPolarHBondContact O-CB 3.41Å; A328-A332 PolarHBondContact O-N 3.24Å; I329-A332 PolarHBondContact O-N 2.99Å; L330-A332 VanDerWaalsContact C-N 3.33Å; A332-Y334 VanDerWaalsContact C-N 3.33Å; A332-E335 PolarHBondContact O-N 3.25Å; A332-A336 WeakPolarHBondContact O-CB 3.46Å; A332-A336 PolarHBondContact O-N 3.39Å
333	L	98.3	Very high	91.5	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.01	12%	0.124	C	C	.	.	H	α-helix	trans	-61.3	-43.2	173.6	177.9	62	0	0	0	111.2	L279 L283 I329 L330 L331 A336 V337 F343 L347 L398 F402 I428	L279-L333 HydrophobicContact CD1-CB 4.34Å; L279-L333 HydrophobicContact CD1-CD1 4.1Å; L279-L333 HydrophobicContact CD2-CB 4.32Å; L283-L333 HydrophobicContact CD1-CD2 4.2Å; I329-L333 WeakPolarHBondContact O-CB 3.12Å; I329-L333 PolarHBondContact O-N 3.14Å; L330-L333 PolarHBondContact O-N 3.35Å; L331-L333 PolarHBondContact O-N 2.98Å; L333-A336 PolarHBondContact O-N 3.26Å; L333-V337 HydrophobicContact CD1-CG2 3.98Å; L333-V337 HydrophobicContact CG-CG2 4.48Å; L333-V337 WeakPolarHBondContact O-CB 3.48Å; L333-V337 VanDerWaalsContact O-CG2 3.27Å; L333-V337 WeakPolarHBondContact O-CG2 3.35Å; L333-V337 PolarHBondContact O-N 3.23Å; L333-F343 HydrophobicContact CD1-CE1 4.01Å; L333-L347 HydrophobicContact CD1-CD2 4.09Å; L333-L398 HydrophobicContact CD1-CD2 4.28Å; L333-F402 HydrophobicContact CD2-CB 4.42Å; L333-F402 HydrophobicContact CD2-CD2 3.53Å; L333-F402 HydrophobicContact CD2-CE2 3.9Å; L333-F402 HydrophobicContact CD2-CG 3.93Å; L333-I428 HydrophobicContact CB-CD1 4.44Å; L333-I428 HydrophobicContact CD2-CD1 4.17Å; L333-I428 HydrophobicContact CD2-CG2 4.34Å; L333-I428 HydrophobicContact CG-CD1 4.26Å; L333-I428 HydrophobicContact CG-CG2 4.36Å
334	Y	97.9	Very high	92.9	Very high	1 Å²	1	26.7 Å²	26.7	0%	0.004	12%	0.123	C	C	.	.	H	α-helix	trans	-58.6	-51.8	175.1	167.1	-101	0	0	0	111.8	L330 L331 A332 A336 V337 H338 L424 I427 I428 Y677 E679 F687	L330-Y334 WeakPolarHBondContact O-CB 3.43Å; L330-Y334 PolarHBondContact O-N 3.36Å; L331-Y334 HydrophobicContact CD1-CD1 4.3Å; L331-Y334 WeakPolarHBondContact O-CB 3.38Å; L331-Y334 PolarHBondContact O-N 2.75Å; A332-Y334 VanDerWaalsContact C-N 3.33Å; Y334-A336 VanDerWaalsContact C-N 3.32Å; Y334-A336 PolarHBondContact O-N 3.35Å; Y334-V337 PolarHBondContact O-N 3.47Å; Y334-H338 HydrophobicContact CD2-CB 4.37Å; Y334-H338 HydrophobicContact CE1-CB 4.45Å; Y334-H338 HydrophobicContact CE2-CB 3.96Å; Y334-H338 AromaticContact CZ-CD2 3.93Å; Y334-H338 AromaticContact CZ-CG 3.9Å; Y334-H338 WeakPolarHBondContact O-CB 3.38Å; Y334-H338 PolarHBondContact O-N 3.05Å; Y334-H338 PolarHBondContact OH-CD2 3.23Å; Y334-L424 HydrophobicContact CG-CD1 4.26Å; Y334-I427 HydrophobicContact CD2-CG2 3.72Å; Y334-I427 HydrophobicContact CE2-CG2 3.46Å; Y334-I427 VanDerWaalsContact CE2-CG2 3.46Å; Y334-I428 HydrophobicContact CD2-CG1 4.24Å; Y334-Y677 HydrophobicContact CE2-CE1 4.09Å; Y334-Y677 WeakPolarHBondContact OH-CE1 3.31Å; Y334-Y677 PolarHBondContact OH-OH 2.69Å; Y334-E679 WeakPolarHBondContact CE1-OE2 3.41Å; Y334-E679 PolarHBondContact OH-OE2 3.23Å; Y334-F687 AromaticContact CD1-CE1 3.55Å; Y334-F687 HydrophobicContact CD1-CE1 3.55Å; Y334-F687 AromaticContact CD1-CZ 3.63Å; Y334-F687 HydrophobicContact CD1-CZ 3.63Å; Y334-F687 HydrophobicContact CD2-CZ 4.15Å; Y334-F687 HydrophobicContact CE1-CD1 4.42Å; Y334-F687 AromaticContact CE1-CE1 3.53Å; Y334-F687 HydrophobicContact CE1-CE1 3.53Å; Y334-F687 AromaticContact CE1-CE2 3.98Å; Y334-F687 HydrophobicContact CE1-CE2 3.98Å; Y334-F687 AromaticContact CE1-CZ 3.27Å; Y334-F687 HydrophobicContact CE1-CZ 3.27Å; Y334-F687 HydrophobicContact CE2-CE2 4.49Å; Y334-F687 AromaticContact CE2-CZ 3.83Å; Y334-F687 HydrophobicContact CE2-CZ 3.83Å; Y334-F687 HydrophobicContact CG-CE1 4.17Å; Y334-F687 HydrophobicContact CG-CZ 4.06Å; Y334-F687 AromaticContact CZ-CE2 3.86Å; Y334-F687 AromaticContact CZ-CZ 3.38Å
335	E	97.3	Very high	93.8	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.009	12%	0.119	C	C	.	.	H	α-helix	trans	-63.2	-38.8	-178.9	-63.2	-60.7	170.8	0	0	111.6	V248 N249 K252 L331 A332 L339	V248-E335 HydrophobicContact CG1-CB 4.26Å; V248-E335 HydrophobicContact CG1-CG 3.93Å; N249-E335 PolarHBondContact ND2-OE1 2.98Å; N249-E335 PolarHBondContact OD1-OE1 3.49Å; K252-E335 IonicContact NZ-OE1 3.14Å; K252-E335 PolarHBondContact NZ-OE1 2.86Å; K252-E335 IonicContact NZ-OE2 2.56Å; K252-E335 PolarHBondContact NZ-OE2 3.34Å; L331-E335 HydrophobicContact CD1-CG 4.34Å; L331-E335 HydrophobicContact CG-CG 4.48Å; L331-E335 WeakPolarHBondContact O-CG 3.23Å; L331-E335 PolarHBondContact O-N 3.4Å; A332-E335 PolarHBondContact O-N 3.25Å; E335-L339 HydrophobicContact CB-CD1 4.31Å; E335-L339 WeakPolarHBondContact O-CB 3.36Å; E335-L339 WeakPolarHBondContact O-CG 3.33Å; E335-L339 PolarHBondContact O-N 3.3Å; E335-L339 WeakPolarHBondContact OE2-CD1 3.5Å
336	A	97.2	Very high	94.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.1	-49.9	176.4	0	0	0	0	0	111.9	M275 A332 L333 Y334 N340 F343	M275-A336 HydrophobicContact CE-CB 3.72Å; M275-A336 HydrophobicContact SD-CB 4.08Å; A332-A336 WeakPolarHBondContact O-CB 3.46Å; A332-A336 PolarHBondContact O-N 3.39Å; L333-A336 PolarHBondContact O-N 3.26Å; Y334-A336 VanDerWaalsContact C-N 3.32Å; Y334-A336 PolarHBondContact O-N 3.35Å; A336-N340 WeakPolarHBondContact O-CB 3.46Å; A336-N340 PolarHBondContact O-N 3.1Å; A336-F343 HydrophobicContact CB-CD1 3.67Å; A336-F343 HydrophobicContact CB-CD2 4.02Å; A336-F343 HydrophobicContact CB-CE1 3.79Å; A336-F343 HydrophobicContact CB-CE2 4.13Å; A336-F343 HydrophobicContact CB-CG 3.81Å; A336-F343 HydrophobicContact CB-CZ 4.03Å
337	V	96.6	Very high	94.8	Very high	12 Å²	12	22.5 Å²	22.5	7%	0.073	11%	0.108	C	C	.	.	H	α-helix	trans	-67.7	-39.3	179.8	172.3	0	0	0	0	111.9	L333 Y334 F343 I344 L347 C431 I432	L333-V337 HydrophobicContact CD1-CG2 3.98Å; L333-V337 HydrophobicContact CG-CG2 4.48Å; L333-V337 WeakPolarHBondContact O-CB 3.48Å; L333-V337 VanDerWaalsContact O-CG2 3.27Å; L333-V337 WeakPolarHBondContact O-CG2 3.35Å; L333-V337 PolarHBondContact O-N 3.23Å; Y334-V337 PolarHBondContact O-N 3.47Å; V337-F343 HydrophobicContact CG2-CD1 3.97Å; V337-F343 HydrophobicContact CG2-CE1 4.21Å; V337-I344 HydrophobicContact CG1-CD1 4.12Å; V337-L347 HydrophobicContact CG2-CD1 3.96Å; V337-L347 HydrophobicContact CG2-CD2 4.26Å; V337-L347 HydrophobicContact CG2-CG 4.46Å; V337-C431 HydrophobicContact CG1-CB 3.94Å; V337-I432 HydrophobicContact CG1-CG1 3.91Å
338	H	95.4	Very high	94.4	Very high	67 Å²	67	23 Å²	23	31%	0.31	11%	0.114	S	C	.	.	H	α-helix	trans	-76.9	-37.8	-175.7	-174.9	55.5	0	0	0	112.7	Y334 Y677 E679	Y334-H338 HydrophobicContact CD2-CB 4.37Å; Y334-H338 HydrophobicContact CE1-CB 4.45Å; Y334-H338 HydrophobicContact CE2-CB 3.96Å; Y334-H338 AromaticContact CZ-CD2 3.93Å; Y334-H338 AromaticContact CZ-CG 3.9Å; Y334-H338 WeakPolarHBondContact O-CB 3.38Å; Y334-H338 PolarHBondContact O-N 3.05Å; Y334-H338 PolarHBondContact OH-CD2 3.23Å; H338-Y677 AromaticContact CE1-CD1 3.83Å; H338-Y677 AromaticContact CE1-CE1 3.73Å; H338-Y677 AromaticContact ND1-CD1 3.98Å; H338-Y677 AromaticContact ND1-CE1 3.88Å; H338-E679 IonicContact CD2-OE2 2.71Å
339	L	95.6	Very high	93.9	Very high	33 Å²	33	24.9 Å²	24.9	17%	0.173	12%	0.122	C	C	.	.	H	α-helix	trans	-96	-30.8	-173.1	-60.5	176.6	0	0	0	113.5	V248 I260 L263 S264 E335	V248-L339 HydrophobicContact CG1-CD1 3.61Å; I260-L339 HydrophobicContact CG1-CD1 4.44Å; I260-L339 HydrophobicContact CG2-CD1 4.19Å; I260-L339 HydrophobicContact CG2-CD2 3.94Å; L263-L339 HydrophobicContact CD2-CD1 4.08Å; S264-L339 WeakPolarHBondContact CA-O 3.46Å; S264-L339 WeakPolarHBondContact CB-O 3.27Å; E335-L339 HydrophobicContact CB-CD1 4.31Å; E335-L339 WeakPolarHBondContact O-CB 3.36Å; E335-L339 WeakPolarHBondContact O-CG 3.33Å; E335-L339 PolarHBondContact O-N 3.3Å; E335-L339 WeakPolarHBondContact OE2-CD1 3.5Å
340	N	95.9	Very high	92.6	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	15%	0.148	C	C	.	.			trans	-118.2	108.4	-172.4	-168.7	-45.7	0	0	0	112.2	L263 V266 A336 N342 F343	L263-N340 PolarHBondContact O-ND2 3.29Å; V266-N340 PolarHBondContact O-ND2 3.42Å; A336-N340 WeakPolarHBondContact O-CB 3.46Å; A336-N340 PolarHBondContact O-N 3.1Å; N340-N342 VanDerWaalsContact C-N 3.27Å; N340-N342 PolarHBondContact O-N 3.43Å; N340-N342 WeakPolarHBondContact OD1-CA 3.5Å; N340-N342 VanDerWaalsContact OD1-CB 3.23Å; N340-N342 WeakPolarHBondContact OD1-CB 3.39Å; N340-N342 PolarHBondContact OD1-N 3.36Å; N340-F343 HydrophobicContact CB-CB 4.19Å; N340-F343 VanDerWaalsContact O-CB 3.3Å; N340-F343 WeakPolarHBondContact O-CB 3.38Å; N340-F343 PolarHBondContact O-N 3.06Å; N340-F343 VanDerWaalsContact O-N 3.14Å; N340-F343 PolarHBondContact OD1-N 2.96Å
341	R	92.6	Very high	91	Very high	185 Å²	185	30.8 Å²	30.8	70%	0.698	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-29	177.3	68.2	-178.1	178.1	-178.2	-3.1	114.2	F343 I344	R341-F343 VanDerWaalsContact C-N 3.26Å; R341-I344 WeakPolarHBondContact O-CB 3.17Å; R341-I344 WeakPolarHBondContact O-CG1 3.29Å; R341-I344 PolarHBondContact O-N 2.91Å
342	N	93.8	Very high	88.7	Confident	50 Å²	50	34.6 Å²	34.6	27%	0.267	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-24.2	179.3	-55.9	-35.6	0	0	0	110.4	V266 L272 N340 I344 T345	V266-N342 PolarHBondContact O-ND2 2.82Å; L272-N342 HydrophobicContact CD1-CB 3.69Å; N340-N342 VanDerWaalsContact C-N 3.27Å; N340-N342 PolarHBondContact O-N 3.43Å; N340-N342 WeakPolarHBondContact OD1-CA 3.5Å; N340-N342 VanDerWaalsContact OD1-CB 3.23Å; N340-N342 WeakPolarHBondContact OD1-CB 3.39Å; N340-N342 PolarHBondContact OD1-N 3.36Å; N342-I344 PolarHBondContact O-N 3.47Å; N342-I344 VanDerWaalsContact O-N 3.16Å; N342-T345 PolarHBondContact O-N 3.43Å; N342-T345 PolarHBondContact O-OG1 2.78Å
343	F	95.2	Very high	86.2	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.5	-19.3	175.8	-164.5	-97.2	0	0	0	113.1	L272 M275 L279 L333 A336 V337 N340 R341 T345 V346 L347 L398	L272-F343 HydrophobicContact CD2-CD2 4.25Å; M275-F343 HydrophobicContact CB-CE2 4.22Å; M275-F343 HydrophobicContact CG-CE2 4.18Å; M275-F343 HydrophobicContact SD-CE2 4.32Å; L279-F343 HydrophobicContact CD1-CE1 4.35Å; L279-F343 HydrophobicContact CD1-CE2 4.43Å; L279-F343 HydrophobicContact CD1-CZ 3.66Å; L333-F343 HydrophobicContact CD1-CE1 4.01Å; A336-F343 HydrophobicContact CB-CD1 3.67Å; A336-F343 HydrophobicContact CB-CD2 4.02Å; A336-F343 HydrophobicContact CB-CE1 3.79Å; A336-F343 HydrophobicContact CB-CE2 4.13Å; A336-F343 HydrophobicContact CB-CG 3.81Å; A336-F343 HydrophobicContact CB-CZ 4.03Å; V337-F343 HydrophobicContact CG2-CD1 3.97Å; V337-F343 HydrophobicContact CG2-CE1 4.21Å; N340-F343 HydrophobicContact CB-CB 4.19Å; N340-F343 VanDerWaalsContact O-CB 3.3Å; N340-F343 WeakPolarHBondContact O-CB 3.38Å; N340-F343 PolarHBondContact O-N 3.06Å; N340-F343 VanDerWaalsContact O-N 3.14Å; N340-F343 PolarHBondContact OD1-N 2.96Å; R341-F343 VanDerWaalsContact C-N 3.26Å; F343-T345 VanDerWaalsContact C-N 3.26Å; F343-T345 PolarHBondContact O-N 3.04Å; F343-V346 HydrophobicContact CD2-CB 4.18Å; F343-V346 HydrophobicContact CD2-CG1 4.49Å; F343-V346 HydrophobicContact CD2-CG2 4.24Å; F343-V346 HydrophobicContact CE2-CB 4.2Å; F343-V346 HydrophobicContact CE2-CG1 4.03Å; F343-V346 HydrophobicContact CZ-CG1 4.3Å; F343-V346 WeakPolarHBondContact O-CB 3.43Å; F343-V346 PolarHBondContact O-N 3.19Å; F343-V346 VanDerWaalsContact O-N 3.12Å; F343-L347 HydrophobicContact CD1-CD2 4.46Å; F343-L347 HydrophobicContact CD1-CG 4.36Å; F343-L347 HydrophobicContact CE1-CD2 3.95Å; F343-L347 HydrophobicContact CE1-CG 4.31Å; F343-L347 PolarHBondContact O-N 3.06Å; F343-L347 VanDerWaalsContact O-N 3.17Å; F343-L398 HydrophobicContact CE1-CD2 4.12Å; F343-L398 HydrophobicContact CZ-CD2 3.88Å
344	I	91.1	Very high	83.4	Confident	8 Å²	8	43.8 Å²	43.8	4%	0.041	23%	0.228	C	C	.	.	H	α-helix	trans	-62.1	-34.2	175.7	-59	-58.8	0	0	0	111.9	V337 R341 N342 V346 L347 D435 A438	V337-I344 HydrophobicContact CG1-CD1 4.12Å; R341-I344 WeakPolarHBondContact O-CB 3.17Å; R341-I344 WeakPolarHBondContact O-CG1 3.29Å; R341-I344 PolarHBondContact O-N 2.91Å; N342-I344 PolarHBondContact O-N 3.47Å; N342-I344 VanDerWaalsContact O-N 3.16Å; I344-V346 VanDerWaalsContact C-N 3.31Å; I344-L347 HydrophobicContact CD1-CD1 4.05Å; I344-L347 WeakPolarHBondContact O-CB 3.43Å; I344-L347 PolarHBondContact O-N 2.86Å; I344-D435 HydrophobicContact CD1-CB 4.4Å; I344-A438 HydrophobicContact CD1-CB 4.5Å; I344-A438 HydrophobicContact CG2-CB 3.68Å
345	T	89.6	Confident	80.2	Confident	83 Å²	83	50.8 Å²	50.8	51%	0.509	27%	0.266	S	S	.	.	H	α-helix	trans	-68.7	-35.2	175.9	59.3	0	0	0	0	111.2	N342 F343 L347 A348 Q349	N342-T345 PolarHBondContact O-N 3.43Å; N342-T345 PolarHBondContact O-OG1 2.78Å; F343-T345 VanDerWaalsContact C-N 3.26Å; F343-T345 PolarHBondContact O-N 3.04Å; T345-L347 VanDerWaalsContact C-N 3.32Å; T345-L347 PolarHBondContact O-N 2.93Å; T345-A348 WeakPolarHBondContact O-CB 3.41Å; T345-A348 PolarHBondContact O-N 2.83Å; T345-A348 VanDerWaalsContact O-N 3.09Å; T345-Q349 WeakPolarHBondContact O-CG 3.44Å; T345-Q349 PolarHBondContact O-N 2.85Å; T345-Q349 VanDerWaalsContact O-N 3.1Å
346	V	91.8	Very high	77.1	Confident	2 Å²	2	57.4 Å²	57.4	1%	0.012	30%	0.3	C	S	.	.	H	α-helix	trans	-63.5	-36.3	176.1	-175.1	0	0	0	0	111.9	L272 F343 I344 A348 Q349	L272-V346 HydrophobicContact CB-CG2 3.88Å; F343-V346 HydrophobicContact CD2-CB 4.18Å; F343-V346 HydrophobicContact CD2-CG1 4.49Å; F343-V346 HydrophobicContact CD2-CG2 4.24Å; F343-V346 HydrophobicContact CE2-CB 4.2Å; F343-V346 HydrophobicContact CE2-CG1 4.03Å; F343-V346 HydrophobicContact CZ-CG1 4.3Å; F343-V346 WeakPolarHBondContact O-CB 3.43Å; F343-V346 PolarHBondContact O-N 3.19Å; F343-V346 VanDerWaalsContact O-N 3.12Å; I344-V346 VanDerWaalsContact C-N 3.31Å; V346-A348 PolarHBondContact O-N 3.28Å; V346-Q349 PolarHBondContact O-N 3.12Å
347	L	89.9	Confident	73.8	Confident	5 Å²	5	62.8 Å²	62.8	3%	0.026	34%	0.335	C	S	.	.	H	α-helix	trans	-58	-32.7	173.9	-68.3	178.4	0	0	0	112.8	L333 V337 F343 I344 T345 L398 L399 I432	L333-L347 HydrophobicContact CD1-CD2 4.09Å; V337-L347 HydrophobicContact CG2-CD1 3.96Å; V337-L347 HydrophobicContact CG2-CD2 4.26Å; V337-L347 HydrophobicContact CG2-CG 4.46Å; F343-L347 HydrophobicContact CD1-CD2 4.46Å; F343-L347 HydrophobicContact CD1-CG 4.36Å; F343-L347 HydrophobicContact CE1-CD2 3.95Å; F343-L347 HydrophobicContact CE1-CG 4.31Å; F343-L347 PolarHBondContact O-N 3.06Å; F343-L347 VanDerWaalsContact O-N 3.17Å; I344-L347 HydrophobicContact CD1-CD1 4.05Å; I344-L347 WeakPolarHBondContact O-CB 3.43Å; I344-L347 PolarHBondContact O-N 2.86Å; T345-L347 VanDerWaalsContact C-N 3.32Å; T345-L347 PolarHBondContact O-N 2.93Å; L347-L398 HydrophobicContact CD2-CD2 3.84Å; L347-L398 HydrophobicContact CD2-CG 3.96Å; L347-L399 HydrophobicContact CB-CB 4.44Å; L347-L399 WeakPolarHBondContact O-CB 3.32Å; L347-L399 PolarHBondContact O-N 3.22Å; L347-I432 HydrophobicContact CD1-CD1 4.15Å; L347-I432 HydrophobicContact CD1-CG1 4.16Å
348	A	82.6	Confident	70.6	Confident	23 Å²	23	68.3 Å²	68.3	19%	0.19	37%	0.368	C	S	.	.	H	α-helix	trans	-91.2	-21.8	-174.3	0	0	0	0	0	113.7	T345 V346 S350 F441	T345-A348 WeakPolarHBondContact O-CB 3.41Å; T345-A348 PolarHBondContact O-N 2.83Å; T345-A348 VanDerWaalsContact O-N 3.09Å; V346-A348 PolarHBondContact O-N 3.28Å; A348-S350 PolarHBondContact O-N 3.31Å; A348-F441 HydrophobicContact CB-CD1 3.64Å; A348-F441 HydrophobicContact CB-CD2 3.7Å; A348-F441 HydrophobicContact CB-CE1 3.55Å; A348-F441 HydrophobicContact CB-CE2 3.64Å; A348-F441 HydrophobicContact CB-CG 3.7Å; A348-F441 HydrophobicContact CB-CZ 3.56Å
349	Q	83.5	Confident	67.3	Low	46 Å²	46	70.8 Å²	70.8	22%	0.215	39%	0.388	C	S	.	.			trans	-58.6	125.2	-179.7	-78.1	170.9	-3.3	0	0	111.3	D273 T345 V346 N397	D273-Q349 VanDerWaalsContact OD1-CD 3.31Å; D273-Q349 PolarHBondContact OD1-NE2 3.3Å; D273-Q349 PolarHBondContact OD1-OE1 3.25Å; D273-Q349 PolarHBondContact OD2-NE2 3.3Å; T345-Q349 WeakPolarHBondContact O-CG 3.44Å; T345-Q349 PolarHBondContact O-N 2.85Å; T345-Q349 VanDerWaalsContact O-N 3.1Å; V346-Q349 PolarHBondContact O-N 3.12Å; Q349-N397 WeakPolarHBondContact O-CB 3.18Å
350	S	67.8	Low	64	Low	78 Å²	78	75.3 Å²	75.3	55%	0.545	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	132.6	178.9	56.4	0	0	0	0	111.4	A348 S396	A348-S350 PolarHBondContact O-N 3.31Å; S350-S396 CarbonylContact C-O 3.46Å; S350-S396 WeakPolarHBondContact CA-O 3.38Å
351	H	64.7	Low	60.8	Low	47 Å²	47	80.5 Å²	80.5	22%	0.218	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	139.9	166.1	-57.5	-52.1	0	0	0	109.3	E353 S396	H351-E353 PolarHBondContact O-N 3.25Å; H351-S396 PolarHBondContact N-O 2.9Å; H351-S396 PolarHBondContact O-N 2.84Å
352	P	48.8	Very low	57.6	Low	80 Å²	80	77.8 Å²	77.8	52%	0.519	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	127.1	169.9	24.6	-29.6	0	0	0	108.9	I354 L393	P352-I354 VanDerWaalsContact C-N 3.32Å; P352-I354 PolarHBondContact O-N 3.01Å; P352-L393 HydrophobicContact CB-CD2 4.32Å
353	E	43.9	Very low	54.5	Low	66 Å²	66	81.2 Å²	81.2	31%	0.308	49%	0.485	S	S	.	.			trans	-63.4	96.9	167.8	-78.9	-174.4	164.3	0	0	107.5	H351 D355 Q394 S396 K404	H351-E353 PolarHBondContact O-N 3.25Å; E353-D355 PolarHBondContact O-N 2.81Å; E353-Q394 WeakPolarHBondContact CG-O 3.46Å; E353-S396 VanDerWaalsContact CG-CB 3.42Å; E353-S396 WeakPolarHBondContact OE1-CB 3.3Å; E353-K404 IonicContact OE1-NZ 3.55Å; E353-K404 PolarHBondContact OE1-NZ 3.34Å; E353-K404 VanDerWaalsContact OE1-NZ 3.14Å
354	I	39.2	Very low	51.2	Low	130 Å²	130	87.5 Å²	87.5	67%	0.667	52%	0.523	S	S	*	.			trans	-84.9	94.7	164.3	-56.4	175.5	0	0	0	105.4	P352 I356	P352-I354 VanDerWaalsContact C-N 3.32Å; P352-I354 PolarHBondContact O-N 3.01Å; I354-I356 VanDerWaalsContact C-N 3.27Å; I354-I356 HydrophobicContact CG2-CG1 4.19Å; I354-I356 PolarHBondContact O-N 3.4Å
355	D	32.5	Very low	48.1	Very low	149 Å²	149	93.2 Å²	93.2	80%	0.797	56%	0.561	S	S	*	*			trans	-57.9	99.9	155.1	-91	-24.1	0	0	0	105.9	E353 P357	E353-D355 PolarHBondContact O-N 2.81Å; D355-P357 WeakPolarHBondContact O-CD 3.24Å; D355-P357 VanDerWaalsContact O-N 3.09Å
356	I	30.4	Very low	45.2	Very low	141 Å²	141	95.9 Å²	95.9	72%	0.723	58%	0.577	S	S	*	*			trans	-65.1	109.9	176.7	-59.8	173.4	0	0	0	106.3	I354 V358	I354-I356 VanDerWaalsContact C-N 3.27Å; I354-I356 HydrophobicContact CG2-CG1 4.19Å; I354-I356 PolarHBondContact O-N 3.4Å; I356-V358 PolarHBondContact O-N 3.45Å
357	P	29.3	Very low	42.1	Very low	113 Å²	113	102.3 Å²	102.3	73%	0.734	62%	0.617	S	S	*	*			trans	-70.7	122.4	170.5	-3.6	22.6	0	0	0	106	D355 T359	D355-P357 WeakPolarHBondContact O-CD 3.24Å; D355-P357 VanDerWaalsContact O-N 3.09Å; P357-T359 PolarHBondContact O-N 2.98Å
358	V	29.5	Very low	39.1	Very low	128 Å²	128	107.4 Å²	107.4	78%	0.776	65%	0.65	S	S	*	*			trans	-54.9	138.3	171	179.3	0	0	0	0	109	I356	I356-V358 PolarHBondContact O-N 3.45Å
359	T	25.5	Very low	36.5	Very low	118 Å²	118	113.3 Å²	113.3	72%	0.724	68%	0.684	S	S	*	*			trans	-24.4	136.2	172.1	31.6	0	0	0	0	115.5	P357 S361	P357-T359 PolarHBondContact O-N 2.98Å; T359-S361 PolarHBondContact O-N 2.89Å; T359-S361 VanDerWaalsContact O-N 3.08Å
360	P	27.5	Very low	33.8	Very low	128 Å²	128	117.1 Å²	117.1	83%	0.831	71%	0.711	S	S	*	*			trans	-65.1	115.9	173.5	26.3	-30.4	0	0	0	108.9	T362	P360-T362 PolarHBondContact O-N 3.41Å
361	S	27	Very low	32.4	Very low	110 Å²	110	118.6 Å²	118.6	77%	0.769	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-58.3	120	165.6	45.3	0	0	0	0	108.4	T359 P363	T359-S361 PolarHBondContact O-N 2.89Å; T359-S361 VanDerWaalsContact O-N 3.08Å; S361-P363 WeakPolarHBondContact O-CD 3.36Å
362	T	25.7	Very low	30.5	Very low	129 Å²	129	124.4 Å²	124.4	79%	0.791	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-46.1	122	171.8	37.7	0	0	0	0	111.1	P360 T364	P360-T362 PolarHBondContact O-N 3.41Å; T362-T364 PolarHBondContact O-N 3.34Å
363	P	28.6	Very low	29.5	Very low	122 Å²	122	123.6 Å²	123.6	79%	0.792	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-75.6	123.6	168.9	28.3	-28.9	0	0	0	109.3	S361	S361-P363 WeakPolarHBondContact O-CD 3.36Å
364	T	25.7	Very low	28.7	Very low	131 Å²	131	126.6 Å²	126.6	80%	0.804	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-61.7	134.9	166.9	26.4	0	0	0	0	110.1	T362 T366	T362-T364 PolarHBondContact O-N 3.34Å; T364-T366 PolarHBondContact O-N 3.3Å
365	P	27.7	Very low	28.1	Very low	129 Å²	129	127.1 Å²	127.1	84%	0.838	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-82.2	120.8	-177.4	30.2	-30.5	0	0	0	110.8
366	T	27.1	Very low	27.9	Very low	138 Å²	138	126 Å²	126	85%	0.847	79%	0.789	S	S	*	*			trans	-105.2	134.1	157.9	44.9	0	0	0	0	109.8	T364	T364-T366 PolarHBondContact O-N 3.3Å
367	T	26.7	Very low	28.5	Very low	138 Å²	138	125.2 Å²	125.2	85%	0.847	79%	0.794	S	S	*	*			trans	-54	157.6	-169	22.5	0	0	0	0	116.8
368	P	28	Very low	28.3	Very low	111 Å²	111	125.5 Å²	125.5	72%	0.721	80%	0.798	S	S	*	*			trans	-91.8	150.9	-166.8	36.7	-33	0	0	0	113.5
369	T	26.5	Very low	28.4	Very low	147 Å²	147	127.3 Å²	127.3	90%	0.902	80%	0.803	S	S	*	*			trans	-128.9	103.8	154.8	28.8	0	0	0	0	108.9
370	T	28.6	Very low	28.4	Very low	127 Å²	127	128.9 Å²	128.9	78%	0.779	81%	0.807	S	S	*	*			trans	-73.8	172.4	159	39.2	0	0	0	0	110.3
371	P	37.4	Very low	28.4	Very low	108 Å²	108	128.7 Å²	128.7	70%	0.701	80%	0.803	S	S	*	*			cis	-136.7	-174.6	15.7	37.3	-14.5	0	0	0	113.1
372	L	24.9	Very low	28.6	Very low	170 Å²	170	131.6 Å²	131.6	89%	0.89	81%	0.806	S	S	*	*			cis	-176.7	153.1	33.6	-155.9	86.4	0	0	0	107.9
373	G	26.9	Very low	28.5	Very low	62 Å²	62	133 Å²	133	64%	0.639	81%	0.809	S	S	*	*			trans	132.7	77.3	159.9	0	0	0	0	0	116.7
374	T	27.1	Very low	28.4	Very low	129 Å²	129	135 Å²	135	79%	0.791	81%	0.813	S	S	*	*				72.6	100.7	102.1	58.7	0	0	0	0	118
375	T	28.4	Very low	28.6	Very low	142 Å²	142	133.6 Å²	133.6	87%	0.871	81%	0.806	S	S	*	*				145.3	138	126.9	49	0	0	0	0	113.8
376	P	28.2	Very low	28.7	Very low	124 Å²	124	136.4 Å²	136.4	81%	0.805	81%	0.808	S	S	*	*			trans	-114.3	-165	177.6	43	-30.5	0	0	0	112.4
377	P	41.7	Very low	28.7	Very low	125 Å²	125	137.6 Å²	137.6	81%	0.812	81%	0.808	S	S	*	*				-109.4	166	-87.2	36.9	-21.3	0	0	0	112.7
378	S	25.1	Very low	28.7	Very low	119 Å²	119	136.7 Å²	136.7	83%	0.832	81%	0.805	S	S	*	*			trans	-143.3	115.5	160.4	58.4	0	0	0	0	111.8
379	L	32.9	Very low	28.9	Very low	167 Å²	167	138.8 Å²	138.8	87%	0.874	81%	0.809	S	S	*	*			trans	-67.9	131.8	160.4	-72.4	147.4	0	0	0	108.6
380	D	25.7	Very low	29.2	Very low	151 Å²	151	136.6 Å²	136.6	81%	0.807	79%	0.792	S	S	*	*			trans	-163.4	106.4	147.2	-89.3	-33.7	0	0	0	107.7
381	V	26.9	Very low	29.5	Very low	123 Å²	123	136.6 Å²	136.6	75%	0.745	79%	0.794	S	S	*	*				74.6	113.2	99.1	176.9	0	0	0	0	113.3
382	M	30.4	Very low	29.6	Very low	171 Å²	171	137.1 Å²	137.1	84%	0.842	79%	0.791	S	S	*	*			trans	28.9	102.7	150.5	-90.3	148.7	79.9	0	0	117.2
383	N	23.7	Very low	30.5	Very low	160 Å²	160	133.6 Å²	133.6	86%	0.856	77%	0.773	S	S	*	*				-155.4	116.2	128.3	-97	-25.7	0	0	0	107.8	P385	N383-P385 WeakPolarHBondContact O-CD 3.37Å
384	N	26.9	Very low	31.9	Very low	163 Å²	163	134.1 Å²	134.1	87%	0.872	76%	0.759	S	S	*	*			trans	-91.7	97	167.2	-150.3	24.3	0	0	0	105.1	E386	N384-E386 PolarHBondContact O-N 3.47Å
385	P	29.2	Very low	33.7	Very low	101 Å²	101	131.3 Å²	131.3	66%	0.656	74%	0.741	S	S	*	*			trans	-74.8	124.3	161.2	31.3	-27.6	0	0	0	106	N383 L387	N383-P385 WeakPolarHBondContact O-CD 3.37Å; P385-L387 PolarHBondContact O-N 3.07Å
386	E	30	Very low	36	Very low	189 Å²	189	124.6 Å²	124.6	88%	0.883	70%	0.7	S	S	*	*			trans	-38.1	115.6	163.7	-70.3	169.4	149.1	0	0	108.8	N384	N384-E386 PolarHBondContact O-N 3.47Å
387	L	28.6	Very low	38.9	Very low	162 Å²	162	118.7 Å²	118.7	85%	0.848	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-55.7	125.8	172.3	-83.9	154.2	0	0	0	107	P385 L389	P385-L387 PolarHBondContact O-N 3.07Å; L387-L389 PolarHBondContact O-N 3.29Å; L387-L389 VanDerWaalsContact O-N 3.09Å
388	P	25.8	Very low	41.4	Very low	119 Å²	119	112.8 Å²	112.8	77%	0.773	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-60.8	119.4	172.9	-10.3	23	0	0	0	107.2	D390	P388-D390 PolarHBondContact O-N 2.99Å; P388-D390 VanDerWaalsContact O-N 3.13Å
389	L	33	Very low	44.7	Very low	155 Å²	155	107.2 Å²	107.2	81%	0.812	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-51.3	119.8	168.2	-79.4	148.9	0	0	0	108.2	L387	L387-L389 PolarHBondContact O-N 3.29Å; L387-L389 VanDerWaalsContact O-N 3.09Å
390	D	31.5	Very low	47.5	Very low	101 Å²	101	99.4 Å²	99.4	54%	0.54	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-58.4	123.7	178.6	-167.9	-22.9	0	0	0	109.2	P388 N392 L393	P388-D390 PolarHBondContact O-N 2.99Å; P388-D390 VanDerWaalsContact O-N 3.13Å; D390-N392 PolarHBondContact O-N 3.3Å; D390-N392 PolarHBondContact OD1-N 3.3Å; D390-L393 PolarHBondContact O-N 3.32Å; D390-L393 VanDerWaalsContact O-N 3.16Å
391	P	35.3	Very low	50.8	Low	127 Å²	127	92.4 Å²	92.4	83%	0.825	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-0.5	179.5	24.2	-33.2	0	0	0	114.4
392	N	39.4	Very low	54	Low	119 Å²	119	86.7 Å²	86.7	64%	0.636	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	6.1	174.4	-68.9	-44.5	0	0	0	115.1	D390 Q394	D390-N392 PolarHBondContact O-N 3.3Å; D390-N392 PolarHBondContact OD1-N 3.3Å; N392-Q394 VanDerWaalsContact C-N 3.3Å; N392-Q394 PolarHBondContact O-N 3.17Å
393	L	43.3	Very low	57.1	Low	96 Å²	96	78.5 Å²	78.5	50%	0.503	43%	0.431	S	S	.	.			trans	-68.5	91.2	173.1	-153.8	81.2	0	0	0	109.5	P352 D390 T395	P352-L393 HydrophobicContact CB-CD2 4.32Å; D390-L393 PolarHBondContact O-N 3.32Å; D390-L393 VanDerWaalsContact O-N 3.16Å; L393-T395 PolarHBondContact O-N 3.39Å
394	Q	56.1	Low	60.4	Low	74 Å²	74	72.4 Å²	72.4	35%	0.346	40%	0.397	S	S	.	.			trans	-69.6	102.8	179.3	-172.7	163.5	-0.6	0	0	107.8	E353 N392 S396 R450	E353-Q394 WeakPolarHBondContact CG-O 3.46Å; N392-Q394 VanDerWaalsContact C-N 3.3Å; N392-Q394 PolarHBondContact O-N 3.17Å; Q394-S396 PolarHBondContact O-N 3.4Å; Q394-S396 VanDerWaalsContact O-N 3.15Å; Q394-R450 PolarHBondContact NE2-O 3.36Å
395	T	64.8	Low	63.6	Low	69 Å²	69	64.7 Å²	64.7	42%	0.423	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	116.9	173.1	51.5	0	0	0	0	108.3	L393	L393-T395 PolarHBondContact O-N 3.39Å
396	S	77.3	Confident	66.7	Low	2 Å²	2	59.9 Å²	59.9	1%	0.014	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	158.3	176.1	-172.8	0	0	0	0	109.5	S350 H351 E353 Q394	S350-S396 CarbonylContact C-O 3.46Å; S350-S396 WeakPolarHBondContact CA-O 3.38Å; H351-S396 PolarHBondContact N-O 2.9Å; H351-S396 PolarHBondContact O-N 2.84Å; E353-S396 VanDerWaalsContact CG-CB 3.42Å; E353-S396 WeakPolarHBondContact OE1-CB 3.3Å; Q394-S396 PolarHBondContact O-N 3.4Å; Q394-S396 VanDerWaalsContact O-N 3.15Å
397	N	89.4	Confident	69.7	Low	0 Å²	0	51 Å²	51	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	171.3	172.5	59.8	33.7	0	0	0	108.7	Q349 L399 I400 T401	Q349-N397 WeakPolarHBondContact O-CB 3.18Å; N397-L399 PolarHBondContact O-N 2.89Å; N397-L399 WeakPolarHBondContact OD1-CB 3.44Å; N397-L399 PolarHBondContact OD1-N 3.14Å; N397-I400 PolarHBondContact O-N 3.42Å; N397-I400 WeakPolarHBondContact OD1-CD1 3.27Å; N397-I400 WeakPolarHBondContact OD1-CG1 3.45Å; N397-I400 PolarHBondContact OD1-N 3.22Å; N397-T401 PolarHBondContact O-N 2.97Å; N397-T401 PolarHBondContact O-OG1 3.06Å
398	L	93.4	Very high	72.7	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-56.4	-38.9	179.8	175.7	55.6	0	0	0	111.9	L279 H280 L283 L333 F343 L347 T401 F402	L279-L398 HydrophobicContact CB-CD1 4.06Å; L279-L398 HydrophobicContact CB-CD2 4.24Å; H280-L398 HydrophobicContact CB-CD1 3.96Å; L283-L398 HydrophobicContact CD1-CD1 4.02Å; L333-L398 HydrophobicContact CD1-CD2 4.28Å; F343-L398 HydrophobicContact CE1-CD2 4.12Å; F343-L398 HydrophobicContact CZ-CD2 3.88Å; L347-L398 HydrophobicContact CD2-CD2 3.84Å; L347-L398 HydrophobicContact CD2-CG 3.96Å; L398-T401 PolarHBondContact O-N 3.14Å; L398-F402 VanDerWaalsContact O-CB 3.32Å; L398-F402 WeakPolarHBondContact O-CB 3.32Å; L398-F402 PolarHBondContact O-N 3.2Å
399	L	94.3	Very high	75.7	Confident	3 Å²	3	38.1 Å²	38.1	2%	0.016	21%	0.209	C	C	.	.	H	α-helix	trans	-64.4	-42	178.7	-175.2	54.2	0	0	0	112.8	L347 N397 F402 L403 I432 F441 L442 L474	L347-L399 HydrophobicContact CB-CB 4.44Å; L347-L399 WeakPolarHBondContact O-CB 3.32Å; L347-L399 PolarHBondContact O-N 3.22Å; N397-L399 PolarHBondContact O-N 2.89Å; N397-L399 WeakPolarHBondContact OD1-CB 3.44Å; N397-L399 PolarHBondContact OD1-N 3.14Å; L399-F402 HydrophobicContact CD1-CD1 4.28Å; L399-F402 PolarHBondContact O-N 2.89Å; L399-L403 HydrophobicContact CD1-CG 4.48Å; L399-L403 HydrophobicContact CG-CD1 4.49Å; L399-L403 VanDerWaalsContact O-CG 3.31Å; L399-L403 WeakPolarHBondContact O-CG 3.33Å; L399-L403 PolarHBondContact O-N 2.87Å; L399-I432 HydrophobicContact CD1-CD1 3.89Å; L399-F441 HydrophobicContact CD2-CD1 4.25Å; L399-F441 HydrophobicContact CD2-CE1 4.18Å; L399-L442 HydrophobicContact CD2-CD2 3.7Å; L399-L442 HydrophobicContact CD2-CG 4.46Å; L399-L474 HydrophobicContact CD2-CD1 3.91Å; L399-L474 HydrophobicContact CG-CD1 4.36Å
400	I	93.1	Very high	78.5	Confident	3 Å²	3	31.1 Å²	31.1	2%	0.015	17%	0.172	C	C	.	.	H	α-helix	trans	-63.9	-46.3	176.1	-69.1	161.3	0	0	0	110.5	N397 F402 L403 K404 F449 V451 L474	N397-I400 PolarHBondContact O-N 3.42Å; N397-I400 WeakPolarHBondContact OD1-CD1 3.27Å; N397-I400 WeakPolarHBondContact OD1-CG1 3.45Å; N397-I400 PolarHBondContact OD1-N 3.22Å; I400-F402 VanDerWaalsContact C-N 3.28Å; I400-F402 PolarHBondContact O-N 3.39Å; I400-L403 PolarHBondContact O-N 3.48Å; I400-K404 HydrophobicContact CG2-CD 4.41Å; I400-K404 WeakPolarHBondContact O-CG 3.35Å; I400-K404 PolarHBondContact O-N 2.94Å; I400-F449 HydrophobicContact CD1-CB 3.92Å; I400-F449 HydrophobicContact CD1-CD1 3.3Å; I400-F449 HydrophobicContact CD1-CD2 4.35Å; I400-F449 HydrophobicContact CD1-CE1 3.77Å; I400-F449 HydrophobicContact CD1-CG 3.61Å; I400-F449 HydrophobicContact CD1-CZ 4.42Å; I400-V451 HydrophobicContact CG1-CG2 4.19Å; I400-V451 HydrophobicContact CG2-CG2 4.31Å; I400-L474 HydrophobicContact CD1-CD2 4.18Å; I400-L474 HydrophobicContact CG1-CD1 4.43Å; I400-L474 HydrophobicContact CG1-CD2 3.64Å
401	T	93.6	Very high	81.1	Confident	4 Å²	4	27.6 Å²	27.6	3%	0.025	15%	0.152	C	C	.	.	H	α-helix	trans	-60.2	-41.2	176.1	-63.7	0	0	0	0	111.2	H280 L283 T284 N287 N397 L398 K404 Y405	H280-T401 PolarHBondContact CE1-OG1 2.99Å; H280-T401 PolarHBondContact ND1-OG1 3.43Å; L283-T401 HydrophobicContact CB-CG2 3.61Å; T284-T401 VanDerWaalsContact OG1-CG2 3.23Å; T284-T401 WeakPolarHBondContact OG1-CG2 3.13Å; N287-T401 PolarHBondContact ND2-O 2.88Å; N287-T401 VanDerWaalsContact ND2-O 3.09Å; N397-T401 PolarHBondContact O-N 2.97Å; N397-T401 PolarHBondContact O-OG1 3.06Å; L398-T401 PolarHBondContact O-N 3.14Å; T401-K404 PolarHBondContact O-N 3.1Å; T401-Y405 WeakPolarHBondContact O-CB 3.43Å; T401-Y405 PolarHBondContact O-N 2.86Å
402	F	95.9	Very high	83.2	Confident	2 Å²	2	24 Å²	24	1%	0.009	13%	0.126	C	C	.	.	H	α-helix	trans	-65.7	-40.8	175.5	172.9	-113.8	0	0	0	112.6	L283 L330 L333 L398 L399 I400 Y405 A406 C425 I428 L429 I432	L283-F402 HydrophobicContact CD1-CB 4.13Å; L283-F402 HydrophobicContact CD1-CD2 4.31Å; L330-F402 HydrophobicContact CD2-CD2 4.5Å; L330-F402 HydrophobicContact CD2-CE2 4.09Å; L333-F402 HydrophobicContact CD2-CB 4.42Å; L333-F402 HydrophobicContact CD2-CD2 3.53Å; L333-F402 HydrophobicContact CD2-CE2 3.9Å; L333-F402 HydrophobicContact CD2-CG 3.93Å; L398-F402 VanDerWaalsContact O-CB 3.32Å; L398-F402 WeakPolarHBondContact O-CB 3.32Å; L398-F402 PolarHBondContact O-N 3.2Å; L399-F402 HydrophobicContact CD1-CD1 4.28Å; L399-F402 PolarHBondContact O-N 2.89Å; I400-F402 VanDerWaalsContact C-N 3.28Å; I400-F402 PolarHBondContact O-N 3.39Å; F402-Y405 WeakPolarHBondContact O-CB 3.37Å; F402-Y405 PolarHBondContact O-N 3.33Å; F402-A406 WeakPolarHBondContact O-CB 3.2Å; F402-A406 PolarHBondContact O-N 3.19Å; F402-C425 HydrophobicContact CE2-CB 4.42Å; F402-C425 HydrophobicContact CZ-CB 4.24Å; F402-I428 HydrophobicContact CE1-CB 4.29Å; F402-I428 HydrophobicContact CE1-CG2 3.72Å; F402-I428 HydrophobicContact CE2-CD1 4.08Å; F402-I428 HydrophobicContact CE2-CG2 4.33Å; F402-I428 HydrophobicContact CZ-CB 3.79Å; F402-I428 HydrophobicContact CZ-CD1 4.15Å; F402-I428 HydrophobicContact CZ-CG2 3.61Å; F402-L429 HydrophobicContact CD1-CD2 4.49Å; F402-L429 HydrophobicContact CE1-CD2 3.79Å; F402-L429 HydrophobicContact CE1-CG 3.87Å; F402-L429 HydrophobicContact CZ-CG 4.36Å; F402-I432 HydrophobicContact CE1-CD1 4.37Å
403	L	95.5	Very high	85.3	Confident	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-64.9	-40.4	175.4	-71	173.2	0	0	0	112.1	L399 I400 A406 S407 L429 V451 L453 A477 V478 L481	L399-L403 HydrophobicContact CD1-CG 4.48Å; L399-L403 HydrophobicContact CG-CD1 4.49Å; L399-L403 VanDerWaalsContact O-CG 3.31Å; L399-L403 WeakPolarHBondContact O-CG 3.33Å; L399-L403 PolarHBondContact O-N 2.87Å; I400-L403 PolarHBondContact O-N 3.48Å; L403-A406 PolarHBondContact O-N 3.38Å; L403-S407 WeakPolarHBondContact O-CB 3.32Å; L403-S407 PolarHBondContact O-N 2.99Å; L403-L429 HydrophobicContact CD2-CD2 3.86Å; L403-V451 HydrophobicContact CB-CG1 4.33Å; L403-L453 HydrophobicContact CB-CD2 4.29Å; L403-A477 HydrophobicContact CD1-CB 4.1Å; L403-V478 HydrophobicContact CD1-CG2 4.27Å; L403-V478 HydrophobicContact CD2-CG2 4.05Å; L403-L481 HydrophobicContact CD2-CD2 4.21Å
404	K	92.8	Very high	87	Confident	32 Å²	32	20.7 Å²	20.7	14%	0.139	10%	0.103	C	C	.	.	H	α-helix	trans	-59	-47.7	171.3	-71.6	175.5	-179.8	175	0	110.2	E353 I400 T401 S407 I408	E353-K404 IonicContact OE1-NZ 3.55Å; E353-K404 PolarHBondContact OE1-NZ 3.34Å; E353-K404 VanDerWaalsContact OE1-NZ 3.14Å; I400-K404 HydrophobicContact CG2-CD 4.41Å; I400-K404 WeakPolarHBondContact O-CG 3.35Å; I400-K404 PolarHBondContact O-N 2.94Å; T401-K404 PolarHBondContact O-N 3.1Å; K404-S407 PolarHBondContact O-N 3.46Å; K404-S407 PolarHBondContact O-OG 3.41Å; K404-I408 WeakPolarHBondContact O-CG1 3.5Å; K404-I408 PolarHBondContact O-N 3.33Å
405	Y	93.4	Very high	88.2	Confident	1 Å²	1	20.4 Å²	20.4	0%	0.004	10%	0.103	C	C	.	.	H	α-helix	trans	-60	-49.4	177.3	176	-82.7	0	0	0	112.3	L283 Y286 N287 L330 T401 F402 S407 I408 V409	L283-Y405 HydrophobicContact CD2-CD1 4.14Å; L283-Y405 HydrophobicContact CD2-CD2 3.58Å; L283-Y405 HydrophobicContact CD2-CE1 4.39Å; L283-Y405 HydrophobicContact CD2-CE2 3.84Å; L283-Y405 HydrophobicContact CD2-CG 3.76Å; Y286-Y405 AromaticContact CD1-CD2 3.23Å; Y286-Y405 HydrophobicContact CD1-CD2 3.23Å; Y286-Y405 AromaticContact CD1-CE2 3.29Å; Y286-Y405 HydrophobicContact CD1-CE2 3.29Å; Y286-Y405 HydrophobicContact CD1-CG 4.33Å; Y286-Y405 AromaticContact CD2-CE2 3.92Å; Y286-Y405 HydrophobicContact CD2-CE2 3.92Å; Y286-Y405 AromaticContact CE1-CD2 3.82Å; Y286-Y405 HydrophobicContact CE1-CD2 3.82Å; Y286-Y405 AromaticContact CE1-CE2 3.66Å; Y286-Y405 HydrophobicContact CE1-CE2 3.66Å; Y286-Y405 HydrophobicContact CE2-CE2 4.25Å; Y286-Y405 AromaticContact CG-CD2 3.69Å; Y286-Y405 HydrophobicContact CG-CD2 3.69Å; Y286-Y405 AromaticContact CG-CE2 3.43Å; Y286-Y405 HydrophobicContact CG-CE2 3.43Å; Y286-Y405 VanDerWaalsContact CG-CE2 3.43Å; N287-Y405 WeakPolarHBondContact OD1-CA 3.48Å; N287-Y405 WeakPolarHBondContact OD1-CB 3.19Å; N287-Y405 PolarHBondContact OD1-N 3.47Å; L330-Y405 HydrophobicContact CD1-CE1 3.78Å; L330-Y405 HydrophobicContact CD2-CD1 4.11Å; L330-Y405 HydrophobicContact CD2-CE1 3.58Å; L330-Y405 HydrophobicContact CG-CE1 3.98Å; T401-Y405 WeakPolarHBondContact O-CB 3.43Å; T401-Y405 PolarHBondContact O-N 2.86Å; F402-Y405 WeakPolarHBondContact O-CB 3.37Å; F402-Y405 PolarHBondContact O-N 3.33Å; Y405-S407 VanDerWaalsContact C-N 3.26Å; Y405-S407 PolarHBondContact O-N 2.62Å; Y405-I408 WeakPolarHBondContact O-CB 3.35Å; Y405-I408 PolarHBondContact O-N 3.35Å; Y405-V409 HydrophobicContact CD1-CG2 3.94Å; Y405-V409 HydrophobicContact CE1-CB 4.32Å; Y405-V409 HydrophobicContact CE1-CG2 3.34Å; Y405-V409 HydrophobicContact CE2-CG2 4.2Å; Y405-V409 PolarHBondContact O-N 3.06Å
406	A	95.1	Very high	89.1	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-59.3	-39.3	179	0	0	0	0	0	111.1	F402 L403 I408 V409 M410 C425 L481	F402-A406 WeakPolarHBondContact O-CB 3.2Å; F402-A406 PolarHBondContact O-N 3.19Å; L403-A406 PolarHBondContact O-N 3.38Å; A406-I408 PolarHBondContact O-N 2.75Å; A406-V409 PolarHBondContact O-N 3.48Å; A406-M410 HydrophobicContact CB-CE 4.26Å; A406-M410 WeakPolarHBondContact O-CB 3.41Å; A406-M410 WeakPolarHBondContact O-CG 3.33Å; A406-M410 PolarHBondContact O-N 3.42Å; A406-C425 HydrophobicContact CB-CB 4.19Å; A406-L481 HydrophobicContact CB-CD2 3.83Å
407	S	93.2	Very high	89.4	Confident	3 Å²	3	26.2 Å²	26.2	2%	0.021	13%	0.126	C	C	.	.	H	α-helix	trans	-63.6	-23.9	176	78.2	0	0	0	0	114.4	L403 K404 Y405 Q411 H454	L403-S407 WeakPolarHBondContact O-CB 3.32Å; L403-S407 PolarHBondContact O-N 2.99Å; K404-S407 PolarHBondContact O-N 3.46Å; K404-S407 PolarHBondContact O-OG 3.41Å; Y405-S407 VanDerWaalsContact C-N 3.26Å; Y405-S407 PolarHBondContact O-N 2.62Å; S407-Q411 VanDerWaalsContact O-CG 3.23Å; S407-Q411 WeakPolarHBondContact O-CG 3.38Å; S407-Q411 PolarHBondContact O-NE2 3.37Å; S407-H454 PolarHBondContact OG-N 3.05Å; S407-H454 PolarHBondContact OG-ND1 2.78Å
408	I	90.4	Very high	89.2	Confident	7 Å²	7	29.1 Å²	29.1	4%	0.036	14%	0.137	C	C	.	.	H	α-helix	trans	-83.3	-52.8	175.9	-64.9	165.1	0	0	0	109.7	Y286 N287 Y290 K404 Y405 A406 M410 Q411 H454	Y286-I408 HydrophobicContact CE1-CB 4.25Å; Y286-I408 HydrophobicContact CE1-CD1 4.46Å; Y286-I408 HydrophobicContact CE1-CG2 3.76Å; N287-I408 HydrophobicContact CB-CD1 4.43Å; N287-I408 WeakPolarHBondContact OD1-CD1 3.43Å; Y290-I408 HydrophobicContact CD1-CD1 3.82Å; Y290-I408 HydrophobicContact CD1-CG1 3.9Å; Y290-I408 HydrophobicContact CD1-CG2 4.03Å; Y290-I408 HydrophobicContact CD2-CG2 3.29Å; Y290-I408 HydrophobicContact CE1-CG1 4.16Å; Y290-I408 HydrophobicContact CE1-CG2 4.23Å; Y290-I408 HydrophobicContact CE2-CG2 3.49Å; Y290-I408 VanDerWaalsContact CE2-CG2 3.49Å; Y290-I408 HydrophobicContact CG-CD1 3.92Å; Y290-I408 HydrophobicContact CG-CG1 4.17Å; Y290-I408 HydrophobicContact CG-CG2 3.56Å; K404-I408 WeakPolarHBondContact O-CG1 3.5Å; K404-I408 PolarHBondContact O-N 3.33Å; Y405-I408 WeakPolarHBondContact O-CB 3.35Å; Y405-I408 PolarHBondContact O-N 3.35Å; A406-I408 PolarHBondContact O-N 2.75Å; I408-M410 PolarHBondContact O-N 2.84Å; I408-Q411 WeakPolarHBondContact O-CB 3.48Å; I408-Q411 WeakPolarHBondContact O-CG 3.4Å; I408-Q411 PolarHBondContact O-N 3.24Å; I408-Q411 VanDerWaalsContact O-N 3.07Å; I408-H454 HydrophobicContact CG1-CB 4.08Å; I408-H454 WeakPolarHBondContact CG1-ND1 3.44Å
409	V	89.9	Confident	89	Confident	3 Å²	3	31.8 Å²	31.8	2%	0.018	15%	0.151	C	C	.	.	H	α-helix	trans	-60.3	-36.3	-177.6	173.9	0	0	0	0	111.7	Y286 T325 Y405 A406 Q411 A422	Y286-V409 HydrophobicContact CE1-CG2 4.26Å; T325-V409 HydrophobicContact CG2-CG1 4.32Å; T325-V409 HydrophobicContact CG2-CG2 3.71Å; Y405-V409 HydrophobicContact CD1-CG2 3.94Å; Y405-V409 HydrophobicContact CE1-CB 4.32Å; Y405-V409 HydrophobicContact CE1-CG2 3.34Å; Y405-V409 HydrophobicContact CE2-CG2 4.2Å; Y405-V409 PolarHBondContact O-N 3.06Å; A406-V409 PolarHBondContact O-N 3.48Å; V409-Q411 PolarHBondContact O-N 3.34Å; V409-A422 HydrophobicContact CG1-CB 4.27Å
410	M	90.4	Very high	88.8	Confident	7 Å²	7	33.4 Å²	33.4	3%	0.034	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-1.8	179.4	-71.8	-178.1	-172.4	0	0	114.5	A406 I408 A422 C425 L426 L429 L481 F485 H489	A406-M410 HydrophobicContact CB-CE 4.26Å; A406-M410 WeakPolarHBondContact O-CB 3.41Å; A406-M410 WeakPolarHBondContact O-CG 3.33Å; A406-M410 PolarHBondContact O-N 3.42Å; I408-M410 PolarHBondContact O-N 2.84Å; M410-A422 HydrophobicContact CG-CB 4.25Å; M410-C425 HydrophobicContact CE-CB 3.74Å; M410-L426 HydrophobicContact CE-CD2 3.48Å; M410-L426 VanDerWaalsContact CE-CD2 3.48Å; M410-L426 HydrophobicContact CE-CG 3.65Å; M410-L426 HydrophobicContact SD-CD2 4.41Å; M410-L429 HydrophobicContact CE-CD1 4.41Å; M410-L481 HydrophobicContact CE-CD2 4.4Å; M410-L481 HydrophobicContact SD-CD1 3.89Å; M410-L481 HydrophobicContact SD-CD2 4.14Å; M410-L481 HydrophobicContact SD-CG 3.97Å; M410-F485 HydrophobicContact CB-CD2 4.13Å; M410-F485 HydrophobicContact CG-CD2 4.37Å; M410-F485 HydrophobicContact SD-CD2 4.38Å; M410-H489 PolarHBondContact O-CE1 3.42Å; M410-H489 PolarHBondContact O-NE2 3.15Å
411	Q	85.6	Confident	88.8	Confident	28 Å²	28	33.3 Å²	33.3	13%	0.131	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-26.7	179.6	-62.8	-174.2	5.1	0	0	114.1	Y290 S407 I408 V409 H454	Y290-Q411 PolarHBondContact OH-OE1 2.98Å; S407-Q411 VanDerWaalsContact O-CG 3.23Å; S407-Q411 WeakPolarHBondContact O-CG 3.38Å; S407-Q411 PolarHBondContact O-NE2 3.37Å; I408-Q411 WeakPolarHBondContact O-CB 3.48Å; I408-Q411 WeakPolarHBondContact O-CG 3.4Å; I408-Q411 PolarHBondContact O-N 3.24Å; I408-Q411 VanDerWaalsContact O-N 3.07Å; V409-Q411 PolarHBondContact O-N 3.34Å; Q411-H454 VanDerWaalsContact NE2-C 3.32Å
412	D	80.7	Confident	88.9	Confident	51 Å²	51	33.1 Å²	33.1	27%	0.273	16%	0.157	S	C	.	.			trans	-134.3	96.3	-176.3	-176.8	4.4	0	0	0	110.9	K414 R418	D412-K414 WeakPolarHBondContact OD1-CB 3.47Å; D412-K414 WeakPolarHBondContact OD1-CG 3.12Å; D412-K414 PolarHBondContact OD1-N 2.85Å; D412-R418 VanDerWaalsContact CG-NE 3.29Å; D412-R418 WeakPolarHBondContact O-CB 3.5Å; D412-R418 WeakPolarHBondContact O-CD 3.49Å; D412-R418 PolarHBondContact O-NE 3.43Å; D412-R418 IonicContact OD1-NE 3.09Å; D412-R418 IonicContact OD1-NH2 2.78Å; D412-R418 IonicContact OD2-CZ 3.86Å; D412-R418 IonicContact OD2-NE 2.76Å; D412-R418 PolarHBondContact OD2-NE 3.03Å; D412-R418 IonicContact OD2-NH2 2.74Å; D412-R418 PolarHBondContact OD2-NH2 3.43Å
413	T	82.9	Confident	88.9	Confident	11 Å²	11	35.6 Å²	35.6	7%	0.067	17%	0.167	C	C	.	.			trans	-100.7	16.9	177.1	68.2	0	0	0	0	113.1	L419 A422 F485 H489 L498	T413-L419 HydrophobicContact CG2-CD1 4.45Å; T413-A422 HydrophobicContact CG2-CB 4.3Å; T413-F485 HydrophobicContact CG2-CE2 4.09Å; T413-H489 PolarHBondContact OG1-CD2 3.24Å; T413-L498 HydrophobicContact CG2-CD1 4.14Å
414	K	78.9	Confident	88.9	Confident	134 Å²	134	35.6 Å²	35.6	58%	0.583	17%	0.167	S	C	*	.	S	Bend	trans	-72	-31.9	-178.5	-65.3	178.4	-178.6	177	0	112.7	D318 D412	D318-K414 IonicContact OD1-NZ 3.05Å; D318-K414 PolarHBondContact OD1-NZ 3.48Å; D318-K414 IonicContact OD2-NZ 3.83Å; D318-K414 PolarHBondContact OD2-NZ 2.82Å; D318-K414 VanDerWaalsContact OD2-NZ 3.08Å; D412-K414 WeakPolarHBondContact OD1-CB 3.47Å; D412-K414 WeakPolarHBondContact OD1-CG 3.12Å; D412-K414 PolarHBondContact OD1-N 2.85Å
415	D	82.6	Confident	89.2	Confident	68 Å²	68	34.1 Å²	34.1	36%	0.364	16%	0.16	S	C	.	.	S	Bend	trans	-92.7	140.6	-179.3	176.2	75.5	0	0	0	110.9	H417 R418 L419	D415-H417 VanDerWaalsContact C-N 3.31Å; D415-H417 PolarHBondContact O-N 3.13Å; D415-H417 VanDerWaalsContact OD2-CB 3.22Å; D415-H417 WeakPolarHBondContact OD2-CB 3.29Å; D415-H417 PolarHBondContact OD2-N 3.34Å; D415-H417 VanDerWaalsContact OD2-N 3.1Å; D415-R418 HydrophobicContact CB-CB 4.42Å; D415-R418 HydrophobicContact CB-CG 4.43Å; D415-R418 VanDerWaalsContact CB-CZ 3.42Å; D415-R418 PolarHBondContact O-N 3.16Å; D415-R418 PolarHBondContact OD2-N 2.7Å; D415-R418 IonicContact OD2-NH1 3.53Å; D415-L419 WeakPolarHBondContact O-CB 3.28Å; D415-L419 PolarHBondContact O-N 3.19Å
416	E	83	Confident	89.4	Confident	143 Å²	143	34 Å²	34	67%	0.668	16%	0.16	S	C	*	.	H	α-helix	trans	-61.2	-38.5	-175.4	-172.2	177.7	-176.5	0	0	112.2	L419 N420	E416-L419 PolarHBondContact O-N 3.01Å; E416-N420 WeakPolarHBondContact O-CB 3.47Å; E416-N420 VanDerWaalsContact O-CG 3.22Å; E416-N420 PolarHBondContact O-N 3.38Å; E416-N420 PolarHBondContact O-ND2 2.62Å
417	H	83.6	Confident	89.5	Confident	51 Å²	51	34 Å²	34	24%	0.236	16%	0.16	C	C	.	.	H	α-helix	trans	-67.1	-42.6	178.2	-177.4	-34.5	0	0	0	111	T325 E327 D415 N420 S421	T325-H417 PolarHBondContact OG1-CE1 2.97Å; T325-H417 PolarHBondContact OG1-ND1 3.3Å; E327-H417 IonicContact OE1-CE1 2.73Å; E327-H417 PolarHBondContact OE1-CE1 2.97Å; E327-H417 VanDerWaalsContact OE1-CE1 3.26Å; E327-H417 IonicContact OE1-CG 3.79Å; E327-H417 IonicContact OE1-ND1 2.66Å; E327-H417 PolarHBondContact OE1-ND1 3.14Å; E327-H417 IonicContact OE2-CE1 3.15Å; E327-H417 PolarHBondContact OE2-CE1 2.73Å; E327-H417 IonicContact OE2-ND1 3.08Å; E327-H417 IonicContact OE2-NE2 2.8Å; D415-H417 VanDerWaalsContact C-N 3.31Å; D415-H417 PolarHBondContact O-N 3.13Å; D415-H417 VanDerWaalsContact OD2-CB 3.22Å; D415-H417 WeakPolarHBondContact OD2-CB 3.29Å; D415-H417 PolarHBondContact OD2-N 3.34Å; D415-H417 VanDerWaalsContact OD2-N 3.1Å; H417-N420 PolarHBondContact O-N 2.71Å; H417-S421 PolarHBondContact O-N 3.47Å; H417-S421 PolarHBondContact O-OG 3.31Å
418	R	84.5	Confident	89.7	Confident	61 Å²	61	33.9 Å²	33.9	23%	0.23	16%	0.159	C	C	.	.	H	α-helix	trans	-68.8	-36.9	176	-67.2	-166.5	-71.7	-81.4	8.1	112.3	D412 D415 N420 S421 A422	D412-R418 VanDerWaalsContact CG-NE 3.29Å; D412-R418 WeakPolarHBondContact O-CB 3.5Å; D412-R418 WeakPolarHBondContact O-CD 3.49Å; D412-R418 PolarHBondContact O-NE 3.43Å; D412-R418 IonicContact OD1-NE 3.09Å; D412-R418 IonicContact OD1-NH2 2.78Å; D412-R418 IonicContact OD2-CZ 3.86Å; D412-R418 IonicContact OD2-NE 2.76Å; D412-R418 PolarHBondContact OD2-NE 3.03Å; D412-R418 IonicContact OD2-NH2 2.74Å; D412-R418 PolarHBondContact OD2-NH2 3.43Å; D415-R418 HydrophobicContact CB-CB 4.42Å; D415-R418 HydrophobicContact CB-CG 4.43Å; D415-R418 VanDerWaalsContact CB-CZ 3.42Å; D415-R418 PolarHBondContact O-N 3.16Å; D415-R418 PolarHBondContact OD2-N 2.7Å; D415-R418 IonicContact OD2-NH1 3.53Å; R418-N420 VanDerWaalsContact C-N 3.33Å; R418-N420 PolarHBondContact O-N 3.26Å; R418-S421 PolarHBondContact O-N 2.94Å; R418-A422 WeakPolarHBondContact O-CB 3.37Å; R418-A422 PolarHBondContact O-N 3.33Å
419	L	89.5	Confident	90.1	Very high	56 Å²	56	33.7 Å²	33.7	29%	0.293	16%	0.158	S	C	.	.	H	α-helix	trans	-59.5	-44.3	172.8	-174.3	74.8	0	0	0	111.2	T413 D415 E416 A422 R423 P495 L498	T413-L419 HydrophobicContact CG2-CD1 4.45Å; D415-L419 WeakPolarHBondContact O-CB 3.28Å; D415-L419 PolarHBondContact O-N 3.19Å; E416-L419 PolarHBondContact O-N 3.01Å; L419-A422 PolarHBondContact O-N 3.47Å; L419-R423 WeakPolarHBondContact O-CB 3.45Å; L419-R423 PolarHBondContact O-N 3.34Å; L419-P495 HydrophobicContact CD1-CB 4.05Å; L419-L498 HydrophobicContact CD1-CD1 3.57Å; L419-L498 HydrophobicContact CD1-CG 4.26Å
420	N	91.4	Very high	90.5	Very high	37 Å²	37	33.9 Å²	33.9	20%	0.198	16%	0.159	C	C	.	.	H	α-helix	trans	-64.8	-41.3	176.2	-73.5	-25.7	0	0	0	112.3	E416 H417 R418 R423 L424 F686	E416-N420 WeakPolarHBondContact O-CB 3.47Å; E416-N420 VanDerWaalsContact O-CG 3.22Å; E416-N420 PolarHBondContact O-N 3.38Å; E416-N420 PolarHBondContact O-ND2 2.62Å; H417-N420 PolarHBondContact O-N 2.71Å; R418-N420 VanDerWaalsContact C-N 3.33Å; R418-N420 PolarHBondContact O-N 3.26Å; N420-R423 WeakPolarHBondContact O-CB 3.32Å; N420-R423 PolarHBondContact O-N 3.45Å; N420-L424 PolarHBondContact O-N 3.29Å; N420-F686 HydrophobicContact CB-CE2 3.93Å
421	S	93	Very high	90.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64.4	-40.8	174.6	-68.2	0	0	0	0	112.3	T325 E327 H417 R418 L424 C425	T325-S421 PolarHBondContact OG1-OG 3.29Å; E327-S421 WeakPolarHBondContact CG-OG 3.34Å; E327-S421 PolarHBondContact OE1-OG 2.98Å; H417-S421 PolarHBondContact O-N 3.47Å; H417-S421 PolarHBondContact O-OG 3.31Å; R418-S421 PolarHBondContact O-N 2.94Å; S421-L424 PolarHBondContact O-N 2.94Å; S421-C425 PolarHBondContact O-N 3.27Å; S421-C425 PolarHBondContact O-SG 2.82Å
422	A	94.8	Very high	91.3	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-64.5	-41.4	174	0	0	0	0	0	111.7	V409 M410 T413 R418 L419 L424 C425 L426 L498	V409-A422 HydrophobicContact CG1-CB 4.27Å; M410-A422 HydrophobicContact CG-CB 4.25Å; T413-A422 HydrophobicContact CG2-CB 4.3Å; R418-A422 WeakPolarHBondContact O-CB 3.37Å; R418-A422 PolarHBondContact O-N 3.33Å; L419-A422 PolarHBondContact O-N 3.47Å; A422-L424 PolarHBondContact O-N 3.04Å; A422-C425 WeakPolarHBondContact O-CB 3.49Å; A422-C425 PolarHBondContact O-N 3Å; A422-L426 PolarHBondContact O-N 3Å; A422-L498 HydrophobicContact CB-CD1 4.13Å
423	R	95.7	Very high	92.1	Very high	55 Å²	55	30.7 Å²	30.7	21%	0.208	14%	0.144	C	C	.	.	H	α-helix	trans	-57.9	-46.8	173.2	-175.2	175.8	172.4	167.3	1.6	111.6	L419 N420 C425 L426 I427 D497 L498 E683 F686	L419-R423 WeakPolarHBondContact O-CB 3.45Å; L419-R423 PolarHBondContact O-N 3.34Å; N420-R423 WeakPolarHBondContact O-CB 3.32Å; N420-R423 PolarHBondContact O-N 3.45Å; R423-C425 VanDerWaalsContact C-N 3.35Å; R423-C425 PolarHBondContact O-N 2.71Å; R423-L426 PolarHBondContact O-N 3.24Å; R423-I427 HydrophobicContact CG-CD1 4.12Å; R423-I427 WeakPolarHBondContact O-CG1 3.3Å; R423-I427 PolarHBondContact O-N 3.47Å; R423-D497 IonicContact CZ-OD2 3.98Å; R423-D497 IonicContact NE-OD2 3.84Å; R423-D497 PolarHBondContact NE-OD2 3.46Å; R423-L498 HydrophobicContact CB-CD2 3.68Å; R423-L498 HydrophobicContact CG-CD2 4.16Å; R423-E683 IonicContact CZ-OE2 2.77Å; R423-E683 IonicContact NE-OE2 2.83Å; R423-E683 IonicContact NH2-OE2 3.72Å; R423-E683 PolarHBondContact NH2-OE2 3.45Å; R423-F686 HydrophobicContact CB-CE2 4.43Å; R423-F686 HydrophobicContact CB-CZ 4.32Å; R423-F686 HydrophobicContact CG-CE2 4.37Å; R423-F686 HydrophobicContact CG-CZ 4.26Å
424	L	96.3	Very high	92.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.1	-40.3	178.4	-174.4	56.1	0	0	0	111.9	L330 Y334 N420 S421 A422 L426 I427 I428 F686 F687 L690	L330-L424 HydrophobicContact CB-CD2 3.41Å; L330-L424 VanDerWaalsContact CB-CD2 3.41Å; L330-L424 HydrophobicContact CB-CG 4.08Å; L330-L424 HydrophobicContact CD1-CD2 4.23Å; L330-L424 HydrophobicContact CG-CD2 4.49Å; Y334-L424 HydrophobicContact CG-CD1 4.26Å; N420-L424 PolarHBondContact O-N 3.29Å; S421-L424 PolarHBondContact O-N 2.94Å; A422-L424 PolarHBondContact O-N 3.04Å; L424-L426 VanDerWaalsContact C-N 3.33Å; L424-L426 PolarHBondContact O-N 3.23Å; L424-I427 PolarHBondContact O-N 3.28Å; L424-I428 HydrophobicContact CG-CD1 4.26Å; L424-I428 WeakPolarHBondContact O-CG1 3.25Å; L424-I428 PolarHBondContact O-N 3.07Å; L424-F686 HydrophobicContact CB-CZ 4.28Å; L424-F686 HydrophobicContact CD1-CE1 4.44Å; L424-F687 HydrophobicContact CD1-CE1 3.94Å; L424-F687 HydrophobicContact CD1-CZ 4.15Å; L424-L690 HydrophobicContact CD1-CD2 4.4Å; L424-L690 HydrophobicContact CD2-CD2 3.75Å
425	C	97.6	Very high	93.3	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-58.8	-43.1	173.4	-65.9	0	0	0	0	112	F402 A406 M410 S421 A422 R423 I428 L429	F402-C425 HydrophobicContact CE2-CB 4.42Å; F402-C425 HydrophobicContact CZ-CB 4.24Å; A406-C425 HydrophobicContact CB-CB 4.19Å; M410-C425 HydrophobicContact CE-CB 3.74Å; S421-C425 PolarHBondContact O-N 3.27Å; S421-C425 PolarHBondContact O-SG 2.82Å; A422-C425 WeakPolarHBondContact O-CB 3.49Å; A422-C425 PolarHBondContact O-N 3Å; R423-C425 VanDerWaalsContact C-N 3.35Å; R423-C425 PolarHBondContact O-N 2.71Å; C425-I428 PolarHBondContact O-N 2.9Å; C425-L429 WeakPolarHBondContact O-CG 3.31Å; C425-L429 PolarHBondContact O-N 2.64Å
426	L	97.9	Very high	93.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-68.5	-33	176.4	-67.6	174.2	0	0	0	112.8	M410 A422 R423 L424 L429 T430 M482 L498 R501 I505	M410-L426 HydrophobicContact CE-CD2 3.48Å; M410-L426 VanDerWaalsContact CE-CD2 3.48Å; M410-L426 HydrophobicContact CE-CG 3.65Å; M410-L426 HydrophobicContact SD-CD2 4.41Å; A422-L426 PolarHBondContact O-N 3Å; R423-L426 PolarHBondContact O-N 3.24Å; L424-L426 VanDerWaalsContact C-N 3.33Å; L424-L426 PolarHBondContact O-N 3.23Å; L426-L429 HydrophobicContact CD2-CD1 4.46Å; L426-T430 WeakPolarHBondContact O-CB 3.48Å; L426-T430 PolarHBondContact O-N 2.93Å; L426-T430 PolarHBondContact O-OG1 3.43Å; L426-M482 HydrophobicContact CD2-CE 3.74Å; L426-M482 HydrophobicContact CD2-SD 3.96Å; L426-L498 HydrophobicContact CD1-CB 3.82Å; L426-L498 HydrophobicContact CD1-CD2 3.9Å; L426-L498 HydrophobicContact CD1-CG 4.35Å; L426-R501 HydrophobicContact CB-CB 3.99Å; L426-R501 HydrophobicContact CD1-CB 4Å; L426-R501 HydrophobicContact CG-CB 4.5Å; L426-I505 HydrophobicContact CB-CD1 4.38Å; L426-I505 HydrophobicContact CD2-CD1 3.79Å
427	I	97.8	Very high	94.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64.8	-45.9	173.4	-71.5	167.9	0	0	0	110.5	Y334 R423 L424 T430 C431 R501 Y677 E683 F686 F687	Y334-I427 HydrophobicContact CD2-CG2 3.72Å; Y334-I427 HydrophobicContact CE2-CG2 3.46Å; Y334-I427 VanDerWaalsContact CE2-CG2 3.46Å; R423-I427 HydrophobicContact CG-CD1 4.12Å; R423-I427 WeakPolarHBondContact O-CG1 3.3Å; R423-I427 PolarHBondContact O-N 3.47Å; L424-I427 PolarHBondContact O-N 3.28Å; I427-T430 WeakPolarHBondContact O-CB 3.34Å; I427-T430 PolarHBondContact O-N 3.29Å; I427-T430 VanDerWaalsContact O-N 3.15Å; I427-C431 PolarHBondContact O-N 3.07Å; I427-C431 PolarHBondContact O-SG 3.22Å; I427-R501 VanDerWaalsContact CG1-NH1 3.34Å; I427-Y677 HydrophobicContact CG2-CE1 4.48Å; I427-Y677 HydrophobicContact CG2-CE2 3.88Å; I427-Y677 WeakPolarHBondContact CG2-OH 3.37Å; I427-E683 HydrophobicContact CD1-CG 4.43Å; I427-F686 HydrophobicContact CD1-CD1 4.07Å; I427-F686 HydrophobicContact CD1-CE1 3.84Å; I427-F687 HydrophobicContact CD1-CZ 4.49Å; I427-F687 HydrophobicContact CG2-CZ 4.38Å
428	I	98	Very high	94.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.2	-48.6	176.3	-65.3	164.9	0	0	0	110.1	L330 L333 Y334 F402 L424 C425 T430 C431 I432	L330-I428 HydrophobicContact CD2-CD1 4.32Å; L333-I428 HydrophobicContact CB-CD1 4.44Å; L333-I428 HydrophobicContact CD2-CD1 4.17Å; L333-I428 HydrophobicContact CD2-CG2 4.34Å; L333-I428 HydrophobicContact CG-CD1 4.26Å; L333-I428 HydrophobicContact CG-CG2 4.36Å; Y334-I428 HydrophobicContact CD2-CG1 4.24Å; F402-I428 HydrophobicContact CE1-CB 4.29Å; F402-I428 HydrophobicContact CE1-CG2 3.72Å; F402-I428 HydrophobicContact CE2-CD1 4.08Å; F402-I428 HydrophobicContact CE2-CG2 4.33Å; F402-I428 HydrophobicContact CZ-CB 3.79Å; F402-I428 HydrophobicContact CZ-CD1 4.15Å; F402-I428 HydrophobicContact CZ-CG2 3.61Å; L424-I428 HydrophobicContact CG-CD1 4.26Å; L424-I428 WeakPolarHBondContact O-CG1 3.25Å; L424-I428 PolarHBondContact O-N 3.07Å; C425-I428 PolarHBondContact O-N 2.9Å; I428-T430 PolarHBondContact O-N 2.99Å; I428-C431 WeakPolarHBondContact O-CB 3.45Å; I428-C431 PolarHBondContact O-N 3.26Å; I428-C431 VanDerWaalsContact O-N 3.08Å; I428-I432 HydrophobicContact CG2-CD1 3.87Å; I428-I432 HydrophobicContact CG2-CG1 4.46Å; I428-I432 WeakPolarHBondContact O-CG1 3.5Å; I428-I432 PolarHBondContact O-N 3.31Å
429	L	98.2	Very high	95.3	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.016	12%	0.119	C	C	.	.	H	α-helix	trans	-60.7	-33.4	175.8	-73.1	171.5	0	0	0	112.8	F402 L403 M410 C425 L426 I432 A433 V478 L481 M482 I505	F402-L429 HydrophobicContact CD1-CD2 4.49Å; F402-L429 HydrophobicContact CE1-CD2 3.79Å; F402-L429 HydrophobicContact CE1-CG 3.87Å; F402-L429 HydrophobicContact CZ-CG 4.36Å; L403-L429 HydrophobicContact CD2-CD2 3.86Å; M410-L429 HydrophobicContact CE-CD1 4.41Å; C425-L429 WeakPolarHBondContact O-CG 3.31Å; C425-L429 PolarHBondContact O-N 2.64Å; L426-L429 HydrophobicContact CD2-CD1 4.46Å; L429-I432 PolarHBondContact O-N 3.38Å; L429-A433 VanDerWaalsContact O-CB 3.27Å; L429-A433 WeakPolarHBondContact O-CB 3.43Å; L429-A433 PolarHBondContact O-N 3.12Å; L429-V478 HydrophobicContact CD2-CG1 4.46Å; L429-L481 HydrophobicContact CD1-CD2 3.97Å; L429-M482 HydrophobicContact CD1-CE 3.81Å; L429-I505 HydrophobicContact CB-CD1 3.84Å
430	T	97.6	Very high	95.5	Very high	6 Å²	6	25.1 Å²	25.1	4%	0.037	12%	0.123	C	C	.	.	H	α-helix	trans	-65.1	-42.9	174	-60.1	0	0	0	0	111	L426 I427 I428 A433 E434 K508 Y677	L426-T430 WeakPolarHBondContact O-CB 3.48Å; L426-T430 PolarHBondContact O-N 2.93Å; L426-T430 PolarHBondContact O-OG1 3.43Å; I427-T430 WeakPolarHBondContact O-CB 3.34Å; I427-T430 PolarHBondContact O-N 3.29Å; I427-T430 VanDerWaalsContact O-N 3.15Å; I428-T430 PolarHBondContact O-N 2.99Å; T430-A433 PolarHBondContact O-N 3.14Å; T430-E434 WeakPolarHBondContact O-CB 3.47Å; T430-E434 WeakPolarHBondContact O-CG 3.35Å; T430-E434 PolarHBondContact O-N 2.87Å; T430-K508 HydrophobicContact CG2-CD 4.31Å; T430-Y677 HydrophobicContact CG2-CD2 4.29Å
431	C	96.8	Very high	95.6	Very high	14 Å²	14	25 Å²	25	10%	0.095	12%	0.121	C	C	.	.	H	α-helix	trans	-63.8	-43.7	176.3	-61.4	0	0	0	0	111.3	V337 I427 I428 E434 D435	V337-C431 HydrophobicContact CG1-CB 3.94Å; I427-C431 PolarHBondContact O-N 3.07Å; I427-C431 PolarHBondContact O-SG 3.22Å; I428-C431 WeakPolarHBondContact O-CB 3.45Å; I428-C431 PolarHBondContact O-N 3.26Å; I428-C431 VanDerWaalsContact O-N 3.08Å; C431-E434 PolarHBondContact O-N 3.19Å; C431-D435 PolarHBondContact O-N 3.41Å
432	I	96.8	Very high	95.7	Very high	3 Å²	3	25 Å²	25	2%	0.015	12%	0.121	C	C	.	.	H	α-helix	trans	-61.7	-47.9	177.2	-65.1	171.3	0	0	0	110.8	V337 L347 L399 F402 I428 L429 E434 D435 A438 L442	V337-I432 HydrophobicContact CG1-CG1 3.91Å; L347-I432 HydrophobicContact CD1-CD1 4.15Å; L347-I432 HydrophobicContact CD1-CG1 4.16Å; L399-I432 HydrophobicContact CD1-CD1 3.89Å; F402-I432 HydrophobicContact CE1-CD1 4.37Å; I428-I432 HydrophobicContact CG2-CD1 3.87Å; I428-I432 HydrophobicContact CG2-CG1 4.46Å; I428-I432 WeakPolarHBondContact O-CG1 3.5Å; I428-I432 PolarHBondContact O-N 3.31Å; L429-I432 PolarHBondContact O-N 3.38Å; I432-E434 PolarHBondContact O-N 3.38Å; I432-E434 VanDerWaalsContact O-N 3.17Å; I432-D435 PolarHBondContact O-N 3.47Å; I432-A438 HydrophobicContact CG2-CB 3.85Å; I432-A438 WeakPolarHBondContact O-CB 3.46Å; I432-L442 HydrophobicContact CG2-CD1 3.96Å
433	A	96.6	Very high	95.7	Very high	3 Å²	3	25.4 Å²	25.4	3%	0.025	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-0.3	179.4	0	0	0	0	0	114.1	L429 T430 I505 K508 L509	L429-A433 VanDerWaalsContact O-CB 3.27Å; L429-A433 WeakPolarHBondContact O-CB 3.43Å; L429-A433 PolarHBondContact O-N 3.12Å; T430-A433 PolarHBondContact O-N 3.14Å; A433-I505 HydrophobicContact CB-CG2 4.4Å; A433-K508 HydrophobicContact CB-CB 4.29Å; A433-K508 HydrophobicContact CB-CD 4.46Å; A433-L509 HydrophobicContact CB-CD2 3.92Å; A433-L509 HydrophobicContact CB-CG 4.32Å
434	E	93.9	Very high	95.5	Very high	27 Å²	27	25.2 Å²	25.2	13%	0.126	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-20.7	171.8	-80.5	-161.9	-162.9	0	0	113.1	T430 C431 I432 K508 F674 R676 Y677	T430-E434 WeakPolarHBondContact O-CB 3.47Å; T430-E434 WeakPolarHBondContact O-CG 3.35Å; T430-E434 PolarHBondContact O-N 2.87Å; C431-E434 PolarHBondContact O-N 3.19Å; I432-E434 PolarHBondContact O-N 3.38Å; I432-E434 VanDerWaalsContact O-N 3.17Å; E434-K508 VanDerWaalsContact CD-CE 3.45Å; E434-K508 HydrophobicContact CG-CD 3.65Å; E434-K508 HydrophobicContact CG-CG 4.49Å; E434-K508 WeakPolarHBondContact OE1-CE 3.46Å; E434-K508 IonicContact OE1-NZ 2.71Å; E434-F674 HydrophobicContact CG-CE2 3.88Å; E434-F674 HydrophobicContact CG-CZ 4.48Å; E434-R676 PolarHBondContact O-NH1 3.45Å; E434-R676 WeakPolarHBondContact OE2-CA 3.45Å; E434-R676 WeakPolarHBondContact OE2-CD 3.48Å; E434-R676 IonicContact OE2-NH1 3.5Å; E434-Y677 VanDerWaalsContact CD-N 3.29Å; E434-Y677 PolarHBondContact OE1-N 3.3Å; E434-Y677 PolarHBondContact OE2-N 3.4Å
435	D	94.6	Very high	95.2	Very high	40 Å²	40	30.4 Å²	30.4	21%	0.214	15%	0.154	C	C	.	.			trans	-81.9	129.8	-179.3	-177	-88.9	0	0	0	111.3	I344 C431 I432 Y437 A438 D439	I344-D435 HydrophobicContact CD1-CB 4.4Å; C431-D435 PolarHBondContact O-N 3.41Å; I432-D435 PolarHBondContact O-N 3.47Å; D435-Y437 PolarHBondContact O-N 3.38Å; D435-Y437 WeakPolarHBondContact OD1-CA 3.38Å; D435-Y437 WeakPolarHBondContact OD1-CB 3.08Å; D435-Y437 PolarHBondContact OD1-N 3.18Å; D435-A438 HydrophobicContact CB-CB 3.94Å; D435-A438 PolarHBondContact O-N 2.93Å; D435-A438 PolarHBondContact OD1-N 3.47Å; D435-D439 WeakPolarHBondContact O-CB 3.44Å; D435-D439 PolarHBondContact O-N 3.22Å
436	Q	92.9	Very high	94.7	Very high	120 Å²	120	37.4 Å²	37.4	56%	0.561	19%	0.191	S	C	*	.	H	α-helix	trans	-68.3	-34	-173.8	178.1	172.6	-21.1	0	0	113.3	A440	Q436-A440 WeakPolarHBondContact O-CB 3.46Å; Q436-A440 PolarHBondContact O-N 2.79Å; Q436-A440 VanDerWaalsContact O-N 3.1Å
437	Y	92.4	Very high	94.2	Very high	162 Å²	162	40.2 Å²	40.2	64%	0.635	21%	0.206	S	C	*	.	H	α-helix	trans	-77.1	-39.8	179.7	-65.2	-77	0	0	0	110.7	D435 A440 F441	D435-Y437 PolarHBondContact O-N 3.38Å; D435-Y437 WeakPolarHBondContact OD1-CA 3.38Å; D435-Y437 WeakPolarHBondContact OD1-CB 3.08Å; D435-Y437 PolarHBondContact OD1-N 3.18Å; Y437-A440 WeakPolarHBondContact O-CB 3.47Å; Y437-A440 PolarHBondContact O-N 3.49Å; Y437-F441 PolarHBondContact O-N 3.17Å
438	A	94.3	Very high	93.7	Very high	6 Å²	6	43.2 Å²	43.2	5%	0.05	22%	0.222	C	C	.	.	H	α-helix	trans	-61	-47.7	173.9	0	0	0	0	0	111.2	I344 I432 D435 A440 F441 L442	I344-A438 HydrophobicContact CD1-CB 4.5Å; I344-A438 HydrophobicContact CG2-CB 3.68Å; I432-A438 HydrophobicContact CG2-CB 3.85Å; I432-A438 WeakPolarHBondContact O-CB 3.46Å; D435-A438 HydrophobicContact CB-CB 3.94Å; D435-A438 PolarHBondContact O-N 2.93Å; D435-A438 PolarHBondContact OD1-N 3.47Å; A438-A440 VanDerWaalsContact C-N 3.32Å; A438-A440 PolarHBondContact O-N 3.3Å; A438-F441 PolarHBondContact O-N 3.19Å; A438-L442 WeakPolarHBondContact O-CB 3.5Å; A438-L442 VanDerWaalsContact O-CG 3.32Å; A438-L442 WeakPolarHBondContact O-CG 3.35Å; A438-L442 PolarHBondContact O-N 2.97Å
439	D	94.8	Very high	93.1	Very high	6 Å²	6	44 Å²	44	3%	0.032	23%	0.225	C	C	.	.	H	α-helix	trans	-63.1	-37.5	176.6	-92.8	-34	0	0	0	112.5	D435 F441 L442 H443 L509 Y512	D435-D439 WeakPolarHBondContact O-CB 3.44Å; D435-D439 PolarHBondContact O-N 3.22Å; D439-F441 VanDerWaalsContact C-N 3.31Å; D439-F441 PolarHBondContact O-N 3.22Å; D439-L442 PolarHBondContact O-N 3.22Å; D439-H443 WeakPolarHBondContact O-CB 3.23Å; D439-H443 PolarHBondContact O-N 2.82Å; D439-H443 PolarHBondContact O-ND1 2.73Å; D439-H443 IonicContact OD1-CE1 2.97Å; D439-H443 IonicContact OD1-ND1 3.32Å; D439-L509 WeakPolarHBondContact OD1-CD2 3.21Å; D439-Y512 HydrophobicContact CB-CD1 3.85Å; D439-Y512 HydrophobicContact CB-CD2 3.39Å; D439-Y512 HydrophobicContact CB-CE1 3.88Å; D439-Y512 HydrophobicContact CB-CE2 3.41Å; D439-Y512 VanDerWaalsContact CB-CE2 3.41Å; D439-Y512 HydrophobicContact CB-CG 3.62Å; D439-Y512 WeakPolarHBondContact OD2-CD2 3.42Å
440	A	94.6	Very high	92.6	Very high	45 Å²	45	50.4 Å²	50.4	37%	0.372	25%	0.249	S	C	.	.	H	α-helix	trans	-60.2	-43.9	175.4	0	0	0	0	0	111.2	Q436 Y437 A438 D444 Y512	Q436-A440 WeakPolarHBondContact O-CB 3.46Å; Q436-A440 PolarHBondContact O-N 2.79Å; Q436-A440 VanDerWaalsContact O-N 3.1Å; Y437-A440 WeakPolarHBondContact O-CB 3.47Å; Y437-A440 PolarHBondContact O-N 3.49Å; A438-A440 VanDerWaalsContact C-N 3.32Å; A438-A440 PolarHBondContact O-N 3.3Å; A440-D444 PolarHBondContact O-N 3.12Å; A440-Y512 WeakPolarHBondContact CA-OH 3.47Å; A440-Y512 WeakPolarHBondContact CB-OH 3.46Å; A440-Y512 PolarHBondContact N-OH 3.33Å
441	F	92.9	Very high	92.1	Very high	34 Å²	34	50.6 Å²	50.6	15%	0.149	25%	0.25	C	C	.	.	H	α-helix	trans	-67.8	-44.3	175.6	176.8	-110.9	0	0	0	112.6	A348 L399 Y437 A438 D439 H443 D444 I447 F449 L474	A348-F441 HydrophobicContact CB-CD1 3.64Å; A348-F441 HydrophobicContact CB-CD2 3.7Å; A348-F441 HydrophobicContact CB-CE1 3.55Å; A348-F441 HydrophobicContact CB-CE2 3.64Å; A348-F441 HydrophobicContact CB-CG 3.7Å; A348-F441 HydrophobicContact CB-CZ 3.56Å; L399-F441 HydrophobicContact CD2-CD1 4.25Å; L399-F441 HydrophobicContact CD2-CE1 4.18Å; Y437-F441 PolarHBondContact O-N 3.17Å; A438-F441 PolarHBondContact O-N 3.19Å; D439-F441 VanDerWaalsContact C-N 3.31Å; D439-F441 PolarHBondContact O-N 3.22Å; F441-H443 PolarHBondContact O-N 2.89Å; F441-D444 PolarHBondContact O-N 3.49Å; F441-I447 HydrophobicContact CD2-CD1 4.06Å; F441-I447 HydrophobicContact CE2-CD1 3.94Å; F441-I447 HydrophobicContact CE2-CG2 4.2Å; F441-F449 HydrophobicContact CE2-CE2 4.37Å; F441-F449 HydrophobicContact CE2-CZ 4.4Å; F441-F449 AromaticContact CZ-CE2 3.85Å; F441-F449 HydrophobicContact CZ-CE2 3.85Å; F441-F449 AromaticContact CZ-CZ 3.89Å; F441-F449 HydrophobicContact CZ-CZ 3.89Å; F441-L474 HydrophobicContact CD1-CD1 4.17Å; F441-L474 HydrophobicContact CE1-CD1 3.4Å; F441-L474 HydrophobicContact CZ-CD1 3.95Å
442	L	94.9	Very high	91.5	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-58.6	-35	179.6	-79	176.9	0	0	0	112.9	L399 I432 A438 D439 L474 V475 V478 L509	L399-L442 HydrophobicContact CD2-CD2 3.7Å; L399-L442 HydrophobicContact CD2-CG 4.46Å; I432-L442 HydrophobicContact CG2-CD1 3.96Å; A438-L442 WeakPolarHBondContact O-CB 3.5Å; A438-L442 VanDerWaalsContact O-CG 3.32Å; A438-L442 WeakPolarHBondContact O-CG 3.35Å; A438-L442 PolarHBondContact O-N 2.97Å; D439-L442 PolarHBondContact O-N 3.22Å; L442-L474 HydrophobicContact CD2-CB 3.56Å; L442-L474 PolarHBondContact O-N 3.47Å; L442-V475 HydrophobicContact CB-CB 4.26Å; L442-V475 WeakPolarHBondContact O-CB 3.46Å; L442-V475 WeakPolarHBondContact O-CG1 3.16Å; L442-V475 PolarHBondContact O-N 3.31Å; L442-V478 HydrophobicContact CD2-CG2 4.04Å; L442-L509 HydrophobicContact CD1-CD2 4.35Å
443	H	95.6	Very high	91	Very high	8 Å²	8	53.6 Å²	53.6	4%	0.037	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	4.8	-175.8	-65	85	0	0	0	114.1	D439 F441 D445 V475 Y512 Q513 I518	D439-H443 WeakPolarHBondContact O-CB 3.23Å; D439-H443 PolarHBondContact O-N 2.82Å; D439-H443 PolarHBondContact O-ND1 2.73Å; D439-H443 IonicContact OD1-CE1 2.97Å; D439-H443 IonicContact OD1-ND1 3.32Å; F441-H443 PolarHBondContact O-N 2.89Å; H443-D445 PolarHBondContact O-N 3Å; H443-V475 WeakPolarHBondContact NE2-CG2 3.31Å; H443-Y512 HydrophobicContact CB-CE1 4.29Å; H443-Y512 AromaticContact CE1-CD1 3.69Å; H443-Y512 AromaticContact ND1-CD1 3.57Å; H443-Y512 AromaticContact ND1-CE1 3.85Å; H443-Q513 VanDerWaalsContact NE2-CG 3.28Å; H443-Q513 WeakPolarHBondContact NE2-CG 3.49Å; H443-Q513 PolarHBondContact NE2-NE2 3.39Å; H443-Q513 VanDerWaalsContact NE2-NE2 3.12Å; H443-I518 HydrophobicContact CB-CD1 3.62Å; H443-I518 HydrophobicContact CB-CG2 4.43Å
444	D	92.1	Very high	90.4	Very high	51 Å²	51	55.2 Å²	55.2	27%	0.273	28%	0.276	S	S	.	.			trans	-69.8	112.8	179.1	-166.2	-20.5	0	0	0	110.7	A440 F441 N446 I447	A440-D444 PolarHBondContact O-N 3.12Å; F441-D444 PolarHBondContact O-N 3.49Å; D444-N446 PolarHBondContact O-N 2.55Å; D444-N446 VanDerWaalsContact OD1-CB 3.32Å; D444-N446 WeakPolarHBondContact OD1-CB 3.28Å; D444-N446 PolarHBondContact OD1-N 3.08Å; D444-N446 PolarHBondContact OD1-ND2 2.74Å; D444-I447 HydrophobicContact CB-CB 4.38Å; D444-I447 HydrophobicContact CB-CD1 4.27Å; D444-I447 HydrophobicContact CB-CG1 4.17Å; D444-I447 PolarHBondContact O-N 2.78Å; D444-I447 WeakPolarHBondContact OD2-CD1 3.28Å
445	D	88.2	Confident	89.7	Confident	109 Å²	109	60.4 Å²	60.4	58%	0.583	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-16.9	-179.1	-160.6	43.8	0	0	0	113	H443 N448	H443-D445 PolarHBondContact O-N 3Å; D445-N448 PolarHBondContact O-ND2 3.4Å
446	N	88.4	Confident	88.6	Confident	147 Å²	147	61.3 Å²	61.3	79%	0.786	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-19.4	176.4	-53.7	-70.2	0	0	0	112.3	D444	D444-N446 PolarHBondContact O-N 2.55Å; D444-N446 VanDerWaalsContact OD1-CB 3.32Å; D444-N446 WeakPolarHBondContact OD1-CB 3.28Å; D444-N446 PolarHBondContact OD1-N 3.08Å; D444-N446 PolarHBondContact OD1-ND2 2.74Å
447	I	86.3	Confident	87.3	Confident	60 Å²	60	60.9 Å²	60.9	31%	0.308	31%	0.306	S	S	.	.	S	Bend	trans	-111.7	95.6	-176.4	-47.1	179.6	0	0	0	109.1	F441 D444 F449	F441-I447 HydrophobicContact CD2-CD1 4.06Å; F441-I447 HydrophobicContact CE2-CD1 3.94Å; F441-I447 HydrophobicContact CE2-CG2 4.2Å; D444-I447 HydrophobicContact CB-CB 4.38Å; D444-I447 HydrophobicContact CB-CD1 4.27Å; D444-I447 HydrophobicContact CB-CG1 4.17Å; D444-I447 PolarHBondContact O-N 2.78Å; D444-I447 WeakPolarHBondContact OD2-CD1 3.28Å; I447-F449 HydrophobicContact CB-CE2 4.28Å; I447-F449 HydrophobicContact CG2-CD2 4.2Å; I447-F449 HydrophobicContact CG2-CE1 4.33Å; I447-F449 HydrophobicContact CG2-CE2 3.25Å; I447-F449 HydrophobicContact CG2-CZ 3.34Å
448	N	87.3	Confident	86	Confident	63 Å²	63	56.5 Å²	56.5	34%	0.337	29%	0.292	S	S	.	.			trans	-108.6	134.1	-175	-70.4	-53.7	0	0	0	111.8	D445 S471 R472 P473	D445-N448 PolarHBondContact O-ND2 3.4Å; N448-S471 VanDerWaalsContact C-OG 3.28Å; N448-S471 WeakPolarHBondContact CB-OG 3.31Å; N448-S471 PolarHBondContact O-OG 2.76Å; N448-R472 VanDerWaalsContact OD1-CA 3.25Å; N448-R472 WeakPolarHBondContact OD1-CA 3.39Å; N448-P473 WeakPolarHBondContact OD1-CD 3.45Å
449	F	86.9	Confident	84.1	Confident	15 Å²	15	67.8 Å²	67.8	7%	0.066	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-126.5	154.2	-178.9	-58.8	-86.9	0	0	0	111.9	I400 F441 I447 V451 S471 R472 L474	I400-F449 HydrophobicContact CD1-CB 3.92Å; I400-F449 HydrophobicContact CD1-CD1 3.3Å; I400-F449 HydrophobicContact CD1-CD2 4.35Å; I400-F449 HydrophobicContact CD1-CE1 3.77Å; I400-F449 HydrophobicContact CD1-CG 3.61Å; I400-F449 HydrophobicContact CD1-CZ 4.42Å; F441-F449 HydrophobicContact CE2-CE2 4.37Å; F441-F449 HydrophobicContact CE2-CZ 4.4Å; F441-F449 AromaticContact CZ-CE2 3.85Å; F441-F449 HydrophobicContact CZ-CE2 3.85Å; F441-F449 AromaticContact CZ-CZ 3.89Å; F441-F449 HydrophobicContact CZ-CZ 3.89Å; I447-F449 HydrophobicContact CB-CE2 4.28Å; I447-F449 HydrophobicContact CG2-CD2 4.2Å; I447-F449 HydrophobicContact CG2-CE1 4.33Å; I447-F449 HydrophobicContact CG2-CE2 3.25Å; I447-F449 HydrophobicContact CG2-CZ 3.34Å; F449-V451 HydrophobicContact CB-CG2 4.33Å; F449-S471 PolarHBondContact N-OG 2.83Å; F449-R472 PolarHBondContact N-O 2.97Å; F449-R472 PolarHBondContact O-N 3.15Å; F449-L474 HydrophobicContact CB-CD2 3.81Å; F449-L474 HydrophobicContact CD2-CD1 3.9Å; F449-L474 HydrophobicContact CD2-CD2 3.58Å; F449-L474 HydrophobicContact CD2-CG 3.46Å; F449-L474 VanDerWaalsContact CD2-CG 3.46Å; F449-L474 HydrophobicContact CE2-CD1 3.78Å; F449-L474 HydrophobicContact CE2-CD2 4.32Å; F449-L474 HydrophobicContact CE2-CG 3.84Å; F449-L474 HydrophobicContact CG-CD2 3.92Å; F449-L474 HydrophobicContact CG-CG 4.3Å
450	R	86.8	Confident	82.3	Confident	138 Å²	138	76.4 Å²	76.4	52%	0.521	37%	0.373	S	S	.	.			trans	-97	112.1	166.3	-66	-176	-175.9	168	3.6	108.8	Q394 I469	Q394-R450 PolarHBondContact NE2-O 3.36Å; R450-I469 HydrophobicContact CB-CG2 4.42Å
451	V	86.2	Confident	81	Confident	10 Å²	10	78.1 Å²	78.1	6%	0.061	37%	0.37	C	S	.	.			trans	-111.8	112.2	177.6	-172.5	0	0	0	0	109.3	I400 L403 F449 L453 L474 A477	I400-V451 HydrophobicContact CG1-CG2 4.19Å; I400-V451 HydrophobicContact CG2-CG2 4.31Å; L403-V451 HydrophobicContact CB-CG1 4.33Å; F449-V451 HydrophobicContact CB-CG2 4.33Å; V451-L453 HydrophobicContact CG1-CD2 3.73Å; V451-L453 HydrophobicContact CG1-CG 4.22Å; V451-L453 PolarHBondContact O-N 3.02Å; V451-L474 HydrophobicContact CG2-CD2 3.67Å; V451-A477 HydrophobicContact CB-CB 3.82Å; V451-A477 HydrophobicContact CG1-CB 4.01Å; V451-A477 HydrophobicContact CG2-CB 3.91Å
452	S	85.1	Confident	79.1	Confident	54 Å²	54	85.8 Å²	85.8	38%	0.378	40%	0.403	S	S	.	.			trans	-87.4	92.9	174.8	-171.3	0	0	0	0	110.1
453	L	86.7	Confident	77.1	Confident	26 Å²	26	94.8 Å²	94.8	14%	0.136	44%	0.442	C	S	.	.			trans	-77.3	133	173	-57.7	176.5	0	0	0	109.8	L403 V451 A477 D480 L481	L403-L453 HydrophobicContact CB-CD2 4.29Å; V451-L453 HydrophobicContact CG1-CD2 3.73Å; V451-L453 HydrophobicContact CG1-CG 4.22Å; V451-L453 PolarHBondContact O-N 3.02Å; L453-A477 WeakPolarHBondContact CD1-O 3.21Å; L453-D480 HydrophobicContact CD1-CB 3.75Å; L453-L481 HydrophobicContact CD1-CB 4.18Å
454	H	82.8	Confident	74.9	Confident	38 Å²	38	98.7 Å²	98.7	18%	0.176	48%	0.476	C	S	.	.			trans	-74.2	138.9	172.2	-59.4	82.3	0	0	0	108.9	Y290 E294 S407 I408 Q411	Y290-H454 AromaticContact CE1-CD2 3.88Å; E294-H454 IonicContact OE2-CD2 3.67Å; S407-H454 PolarHBondContact OG-N 3.05Å; S407-H454 PolarHBondContact OG-ND1 2.78Å; I408-H454 HydrophobicContact CG1-CB 4.08Å; I408-H454 WeakPolarHBondContact CG1-ND1 3.44Å; Q411-H454 VanDerWaalsContact NE2-C 3.32Å
455	R	79.3	Confident	72.3	Confident	136 Å²	136	100.5 Å²	100.5	51%	0.513	50%	0.498	S	S	.	.			trans	-121.7	137.2	-169.8	-77.8	-164.8	-174.6	-160.5	-2.1	110	E484	R455-E484 HydrophobicContact CG-CG 4.49Å
456	M	71.5	Confident	70.4	Confident	58 Å²	58	98.9 Å²	98.9	29%	0.286	51%	0.507	S	S	.	.			trans	-62.8	133.2	-177.8	-166.4	-175.1	-178.4	0	0	110.8	M458 R461 E484 T488	M456-M458 PolarHBondContact O-N 3.09Å; M456-M458 HydrophobicContact SD-CE 3.99Å; M456-R461 PolarHBondContact O-NH1 3.17Å; M456-E484 PolarHBondContact N-OE1 3.29Å; M456-T488 HydrophobicContact CB-CG2 3.81Å; M456-T488 HydrophobicContact SD-CG2 4.38Å
457	P	66.9	Low	68.8	Low	111 Å²	111	100.6 Å²	100.6	72%	0.721	51%	0.507	S	S	*	.			trans	-63.1	121.6	175	-22	33.1	0	0	0	111
458	M	64	Low	67.6	Low	71 Å²	71	105.4 Å²	105.4	35%	0.35	53%	0.534	S	S	.	.			trans	-124.1	139.1	-179.2	-75.5	-71.5	-170.4	0	0	110.4	M456 H460 R461 T488	M456-M458 PolarHBondContact O-N 3.09Å; M456-M458 HydrophobicContact SD-CE 3.99Å; M458-H460 PolarHBondContact O-N 2.91Å; M458-H460 VanDerWaalsContact O-N 3.08Å; M458-R461 HydrophobicContact CB-CB 3.86Å; M458-R461 WeakPolarHBondContact O-CB 3.27Å; M458-R461 PolarHBondContact O-N 3.3Å; M458-T488 VanDerWaalsContact CE-CA 3.47Å; M458-T488 HydrophobicContact CE-CG2 3.63Å
459	R	55.1	Low	66.8	Low	243 Å²	243	105.2 Å²	105.2	92%	0.917	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-33	-174.3	-70.5	-176.3	179.1	-175.1	-0.5	114.4
460	H	57.2	Low	66.5	Low	186 Å²	186	108.2 Å²	108.2	86%	0.861	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	-3.2	-178.5	-54.3	-63.3	0	0	0	113.2	M458 K462	M458-H460 PolarHBondContact O-N 2.91Å; M458-H460 VanDerWaalsContact O-N 3.08Å; H460-K462 PolarHBondContact O-N 3.05Å
461	R	66.1	Low	66.4	Low	82 Å²	82	104.6 Å²	104.6	31%	0.309	55%	0.549	S	S	.	.			trans	-84.2	109.1	178.7	-175.3	173.2	-80.5	177.6	-16.6	107.8	M456 M458 K463 E484	M456-R461 PolarHBondContact O-NH1 3.17Å; M458-R461 HydrophobicContact CB-CB 3.86Å; M458-R461 WeakPolarHBondContact O-CB 3.27Å; M458-R461 PolarHBondContact O-N 3.3Å; R461-K463 PolarHBondContact O-N 3.4Å; R461-E484 IonicContact CZ-OE1 3.52Å; R461-E484 IonicContact CZ-OE2 2.84Å; R461-E484 IonicContact NH1-OE1 3.19Å; R461-E484 PolarHBondContact NH1-OE1 3.49Å; R461-E484 IonicContact NH1-OE2 3.89Å; R461-E484 IonicContact NH2-OE1 3.88Å; R461-E484 PolarHBondContact NH2-OE1 3.11Å; R461-E484 VanDerWaalsContact NH2-OE1 3.07Å; R461-E484 IonicContact NH2-OE2 3.55Å; R461-E484 PolarHBondContact NH2-OE2 3.14Å
462	K	54	Low	66.7	Low	194 Å²	194	106.4 Å²	106.4	84%	0.843	56%	0.555	S	S	*	*			trans	-57.2	133.3	168.2	-67.3	-177.2	179.8	179.8	0	107.6	H460 A464	H460-K462 PolarHBondContact O-N 3.05Å; K462-A464 PolarHBondContact O-N 3.16Å; K462-A464 VanDerWaalsContact O-N 3.14Å
463	K	52.1	Low	67.1	Low	190 Å²	190	104.2 Å²	104.2	83%	0.826	54%	0.539	S	S	*	.			trans	-47	125.5	173.4	-79.4	-172.2	176	-171.3	0	107.5	R461 A465	R461-K463 PolarHBondContact O-N 3.4Å; K463-A465 VanDerWaalsContact C-N 3.28Å; K463-A465 PolarHBondContact O-N 3.05Å
464	A	49.1	Very low	67.4	Low	91 Å²	91	103 Å²	103	75%	0.752	53%	0.533	S	S	*	.			trans	-65.3	92.8	-178.8	0	0	0	0	0	108	K462 G466	K462-A464 PolarHBondContact O-N 3.16Å; K462-A464 VanDerWaalsContact O-N 3.14Å; A464-G466 PolarHBondContact O-N 3.17Å; A464-G466 VanDerWaalsContact O-N 3.14Å
465	A	39.5	Very low	68	Low	88 Å²	88	101.2 Å²	101.2	73%	0.727	53%	0.525	S	S	*	.			trans	-54.9	119.5	157.1	0	0	0	0	0	105.2	K463 K467	K463-A465 VanDerWaalsContact C-N 3.28Å; K463-A465 PolarHBondContact O-N 3.05Å; A465-K467 VanDerWaalsContact C-N 3.34Å; A465-K467 PolarHBondContact O-N 3.37Å
466	G	48	Very low	68.8	Low	75 Å²	75	94.8 Å²	94.8	77%	0.773	50%	0.501	S	S	*	.			trans	-34.5	92.1	-168	0	0	0	0	0	112.9	A464 N468	A464-G466 PolarHBondContact O-N 3.17Å; A464-G466 VanDerWaalsContact O-N 3.14Å; G466-N468 PolarHBondContact O-N 2.88Å
467	K	54	Low	69.9	Low	183 Å²	183	92.2 Å²	92.2	80%	0.796	49%	0.488	S	S	*	.			trans	-69.7	120.6	170	-82.2	-173.9	172.6	-174.1	0	104.3	A465 I469	A465-K467 VanDerWaalsContact C-N 3.34Å; A465-K467 PolarHBondContact O-N 3.37Å; K467-I469 VanDerWaalsContact C-N 3.35Å; K467-I469 PolarHBondContact O-N 3.17Å
468	N	61.3	Low	71.4	Confident	161 Å²	161	87.1 Å²	87.1	86%	0.861	46%	0.455	S	S	*	.			trans	-47.6	102.9	170	-72.4	-21.6	0	0	0	108	G466 P470	G466-N468 PolarHBondContact O-N 2.88Å; N468-P470 WeakPolarHBondContact O-CD 3.46Å; N468-P470 VanDerWaalsContact O-N 3.13Å
469	I	70.9	Confident	73	Confident	59 Å²	59	83.8 Å²	83.8	30%	0.303	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-63.9	117.8	-178.6	-63.7	167.8	0	0	0	105.5	R450 K467 S471	R450-I469 HydrophobicContact CB-CG2 4.42Å; K467-I469 VanDerWaalsContact C-N 3.35Å; K467-I469 PolarHBondContact O-N 3.17Å; I469-S471 PolarHBondContact O-N 3.3Å
470	P	79.3	Confident	74.9	Confident	78 Å²	78	73 Å²	73	51%	0.506	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-64	139.7	-177.7	25.9	-33	0	0	0	109.4	N468 R472	N468-P470 WeakPolarHBondContact O-CD 3.46Å; N468-P470 VanDerWaalsContact O-N 3.13Å; P470-R472 PolarHBondContact O-N 2.88Å
471	S	86.3	Confident	76.8	Confident	62 Å²	62	64.3 Å²	64.3	43%	0.434	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-73.8	123.5	166.7	-154.5	0	0	0	0	107.8	N448 F449 I469	N448-S471 VanDerWaalsContact C-OG 3.28Å; N448-S471 WeakPolarHBondContact CB-OG 3.31Å; N448-S471 PolarHBondContact O-OG 2.76Å; F449-S471 PolarHBondContact N-OG 2.83Å; I469-S471 PolarHBondContact O-N 3.3Å
472	R	91.3	Very high	78.3	Confident	49 Å²	49	60.4 Å²	60.4	19%	0.185	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-154.9	167.6	-175.2	58.8	-173.7	174.4	158.1	1	110.5	N448 F449 P470 C476 D480	N448-R472 VanDerWaalsContact OD1-CA 3.25Å; N448-R472 WeakPolarHBondContact OD1-CA 3.39Å; F449-R472 PolarHBondContact N-O 2.97Å; F449-R472 PolarHBondContact O-N 3.15Å; P470-R472 PolarHBondContact O-N 2.88Å; R472-C476 HydrophobicContact CB-CB 4.47Å; R472-C476 VanDerWaalsContact CD-CB 3.41Å; R472-C476 HydrophobicContact CG-CB 3.78Å; R472-D480 IonicContact CZ-OD2 3.29Å; R472-D480 VanDerWaalsContact CZ-OD2 3.27Å; R472-D480 IonicContact NH1-OD1 2.7Å; R472-D480 PolarHBondContact NH1-OD1 3.41Å; R472-D480 IonicContact NH1-OD2 2.93Å; R472-D480 PolarHBondContact NH1-OD2 2.95Å; R472-D480 IonicContact NH2-OD2 2.74Å; R472-D480 PolarHBondContact NH2-OD2 3.26Å
473	P	93.4	Very high	80.3	Confident	8 Å²	8	51.9 Å²	51.9	5%	0.052	31%	0.309	C	S	.	.			trans	-60.2	149	177.6	-26.8	38.3	0	0	0	111.4	N448 V475 C476 L520	N448-P473 WeakPolarHBondContact OD1-CD 3.45Å; P473-V475 HydrophobicContact CB-CG1 4.17Å; P473-V475 PolarHBondContact O-N 2.93Å; P473-C476 WeakPolarHBondContact O-CB 3.46Å; P473-C476 PolarHBondContact O-N 3.49Å; P473-L520 HydrophobicContact CG-CD1 4.46Å
474	L	93.7	Very high	82.2	Confident	1 Å²	1	44 Å²	44	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-62.8	-28	-173.9	-73.3	177.6	0	0	0	113.5	L399 I400 F441 L442 F449 V451 C476 A477 V478	L399-L474 HydrophobicContact CD2-CD1 3.91Å; L399-L474 HydrophobicContact CG-CD1 4.36Å; I400-L474 HydrophobicContact CD1-CD2 4.18Å; I400-L474 HydrophobicContact CG1-CD1 4.43Å; I400-L474 HydrophobicContact CG1-CD2 3.64Å; F441-L474 HydrophobicContact CD1-CD1 4.17Å; F441-L474 HydrophobicContact CE1-CD1 3.4Å; F441-L474 HydrophobicContact CZ-CD1 3.95Å; L442-L474 HydrophobicContact CD2-CB 3.56Å; L442-L474 PolarHBondContact O-N 3.47Å; F449-L474 HydrophobicContact CB-CD2 3.81Å; F449-L474 HydrophobicContact CD2-CD1 3.9Å; F449-L474 HydrophobicContact CD2-CD2 3.58Å; F449-L474 HydrophobicContact CD2-CG 3.46Å; F449-L474 VanDerWaalsContact CD2-CG 3.46Å; F449-L474 HydrophobicContact CE2-CD1 3.78Å; F449-L474 HydrophobicContact CE2-CD2 4.32Å; F449-L474 HydrophobicContact CE2-CG 3.84Å; F449-L474 HydrophobicContact CG-CD2 3.92Å; F449-L474 HydrophobicContact CG-CG 4.3Å; V451-L474 HydrophobicContact CG2-CD2 3.67Å; L474-C476 PolarHBondContact O-N 2.93Å; L474-C476 VanDerWaalsContact O-N 3.14Å; L474-A477 WeakPolarHBondContact O-CA 3.46Å; L474-A477 WeakPolarHBondContact O-CB 3.1Å; L474-A477 PolarHBondContact O-N 3.11Å; L474-V478 PolarHBondContact O-N 3.25Å; L474-V478 VanDerWaalsContact O-N 3.14Å
475	V	96.2	Very high	84.4	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-53.5	-34.8	174.6	63.1	0	0	0	0	111.9	L442 H443 P473 A477 V478 L479 L509 L520	L442-V475 HydrophobicContact CB-CB 4.26Å; L442-V475 WeakPolarHBondContact O-CB 3.46Å; L442-V475 WeakPolarHBondContact O-CG1 3.16Å; L442-V475 PolarHBondContact O-N 3.31Å; H443-V475 WeakPolarHBondContact NE2-CG2 3.31Å; P473-V475 HydrophobicContact CB-CG1 4.17Å; P473-V475 PolarHBondContact O-N 2.93Å; V475-A477 VanDerWaalsContact C-N 3.28Å; V475-A477 PolarHBondContact O-N 3Å; V475-V478 PolarHBondContact O-N 2.76Å; V475-V478 VanDerWaalsContact O-N 3.17Å; V475-L479 HydrophobicContact CG2-CD1 4.27Å; V475-L479 HydrophobicContact CG2-CG 4.33Å; V475-L479 WeakPolarHBondContact O-CG 3.32Å; V475-L479 PolarHBondContact O-N 3.03Å; V475-L509 HydrophobicContact CG2-CB 4.49Å; V475-L509 HydrophobicContact CG2-CD1 4.06Å; V475-L509 HydrophobicContact CG2-CD2 4.13Å; V475-L509 HydrophobicContact CG2-CG 4.45Å; V475-L520 HydrophobicContact CG1-CD1 3.68Å; V475-L520 HydrophobicContact CG1-CD2 3.7Å; V475-L520 HydrophobicContact CG1-CG 4.36Å; V475-L520 HydrophobicContact CG2-CD2 4.46Å
476	C	95.7	Very high	87	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.007	21%	0.205	C	C	.	.	H	α-helix	trans	-63.7	-34.6	176.8	-67.5	0	0	0	0	112.2	R472 P473 L474 D480 Y522	R472-C476 HydrophobicContact CB-CB 4.47Å; R472-C476 VanDerWaalsContact CD-CB 3.41Å; R472-C476 HydrophobicContact CG-CB 3.78Å; P473-C476 WeakPolarHBondContact O-CB 3.46Å; P473-C476 PolarHBondContact O-N 3.49Å; L474-C476 PolarHBondContact O-N 2.93Å; L474-C476 VanDerWaalsContact O-N 3.14Å; C476-D480 WeakPolarHBondContact O-CB 3.36Å; C476-D480 VanDerWaalsContact O-CG 3.31Å; C476-D480 PolarHBondContact O-N 2.85Å; C476-Y522 HydrophobicContact CB-CD2 4.12Å; C476-Y522 HydrophobicContact CB-CE2 4.38Å
477	A	94.9	Very high	89.1	Confident	3 Å²	3	34.9 Å²	34.9	3%	0.025	19%	0.185	C	C	.	.	H	α-helix	trans	-72	-36.5	174.8	0	0	0	0	0	111.6	L403 V451 L453 L474 V475 D480 L481	L403-A477 HydrophobicContact CD1-CB 4.1Å; V451-A477 HydrophobicContact CB-CB 3.82Å; V451-A477 HydrophobicContact CG1-CB 4.01Å; V451-A477 HydrophobicContact CG2-CB 3.91Å; L453-A477 WeakPolarHBondContact CD1-O 3.21Å; L474-A477 WeakPolarHBondContact O-CA 3.46Å; L474-A477 WeakPolarHBondContact O-CB 3.1Å; L474-A477 PolarHBondContact O-N 3.11Å; V475-A477 VanDerWaalsContact C-N 3.28Å; V475-A477 PolarHBondContact O-N 3Å; A477-D480 PolarHBondContact O-N 2.71Å; A477-L481 WeakPolarHBondContact O-CB 3.45Å; A477-L481 PolarHBondContact O-N 3.15Å
478	V	97.4	Very high	90.7	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.024	15%	0.152	C	C	.	.	H	α-helix	trans	-63	-47.9	173.1	-175.1	0	0	0	0	110.4	L403 L429 L442 L474 V475 D480 L481 M482 I505 L509	L403-V478 HydrophobicContact CD1-CG2 4.27Å; L403-V478 HydrophobicContact CD2-CG2 4.05Å; L429-V478 HydrophobicContact CD2-CG1 4.46Å; L442-V478 HydrophobicContact CD2-CG2 4.04Å; L474-V478 PolarHBondContact O-N 3.25Å; L474-V478 VanDerWaalsContact O-N 3.14Å; V475-V478 PolarHBondContact O-N 2.76Å; V475-V478 VanDerWaalsContact O-N 3.17Å; V478-D480 PolarHBondContact O-N 2.95Å; V478-L481 WeakPolarHBondContact O-CB 3.48Å; V478-L481 PolarHBondContact O-N 3.06Å; V478-M482 WeakPolarHBondContact O-CG 3.17Å; V478-M482 PolarHBondContact O-N 2.86Å; V478-I505 HydrophobicContact CG1-CG2 4.05Å; V478-L509 HydrophobicContact CB-CD1 4.3Å; V478-L509 HydrophobicContact CG1-CD1 3.86Å
479	L	97.6	Very high	91.9	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-60.3	-45.4	176.6	-71.6	173.1	0	0	0	111.9	V475 L481 M482 V483 I506 L509 L520 Y522 W524	V475-L479 HydrophobicContact CG2-CD1 4.27Å; V475-L479 HydrophobicContact CG2-CG 4.33Å; V475-L479 WeakPolarHBondContact O-CG 3.32Å; V475-L479 PolarHBondContact O-N 3.03Å; L479-L481 VanDerWaalsContact C-N 3.3Å; L479-L481 PolarHBondContact O-N 3.38Å; L479-M482 PolarHBondContact O-N 3.07Å; L479-M482 VanDerWaalsContact O-N 3.15Å; L479-V483 WeakPolarHBondContact O-CG2 3.11Å; L479-V483 PolarHBondContact O-N 2.91Å; L479-I506 HydrophobicContact CD2-CG1 4.2Å; L479-I506 HydrophobicContact CD2-CG2 4.35Å; L479-L509 HydrophobicContact CD2-CD1 3.95Å; L479-L509 HydrophobicContact CG-CD1 4.27Å; L479-L520 HydrophobicContact CD1-CD2 3.9Å; L479-Y522 HydrophobicContact CB-CE1 4.21Å; L479-Y522 HydrophobicContact CB-CE2 3.96Å; L479-Y522 HydrophobicContact CD1-CD1 4.07Å; L479-Y522 HydrophobicContact CD1-CD2 4.23Å; L479-Y522 HydrophobicContact CD1-CE1 4.17Å; L479-Y522 HydrophobicContact CD1-CE2 4.32Å; L479-Y522 HydrophobicContact CD1-CG 4.11Å; L479-W524 HydrophobicContact CD1-CH2 4.32Å; L479-W524 HydrophobicContact CD1-CZ3 4.39Å
480	D	95.5	Very high	92.7	Very high	16 Å²	16	19.4 Å²	19.4	9%	0.086	11%	0.111	C	C	.	.	H	α-helix	trans	-60	-39.2	176.6	-84.2	16.1	0	0	0	112.5	L453 R472 C476 A477 V478 V483 E484 Y522	L453-D480 HydrophobicContact CD1-CB 3.75Å; R472-D480 IonicContact CZ-OD2 3.29Å; R472-D480 VanDerWaalsContact CZ-OD2 3.27Å; R472-D480 IonicContact NH1-OD1 2.7Å; R472-D480 PolarHBondContact NH1-OD1 3.41Å; R472-D480 IonicContact NH1-OD2 2.93Å; R472-D480 PolarHBondContact NH1-OD2 2.95Å; R472-D480 IonicContact NH2-OD2 2.74Å; R472-D480 PolarHBondContact NH2-OD2 3.26Å; C476-D480 WeakPolarHBondContact O-CB 3.36Å; C476-D480 VanDerWaalsContact O-CG 3.31Å; C476-D480 PolarHBondContact O-N 2.85Å; A477-D480 PolarHBondContact O-N 2.71Å; V478-D480 PolarHBondContact O-N 2.95Å; D480-V483 PolarHBondContact O-N 3.49Å; D480-E484 WeakPolarHBondContact O-CB 3.39Å; D480-E484 PolarHBondContact O-N 3.48Å; D480-Y522 WeakPolarHBondContact OD1-CE2 3.41Å; D480-Y522 PolarHBondContact OD1-OH 3.5Å
481	L	96.1	Very high	92.9	Very high	5 Å²	5	18.3 Å²	18.3	3%	0.026	10%	0.1	C	C	.	.	H	α-helix	trans	-63.8	-42.8	175.7	-177.9	62.1	0	0	0	111.3	L403 A406 M410 L429 L453 A477 V478 L479 E484 F485	L403-L481 HydrophobicContact CD2-CD2 4.21Å; A406-L481 HydrophobicContact CB-CD2 3.83Å; M410-L481 HydrophobicContact CE-CD2 4.4Å; M410-L481 HydrophobicContact SD-CD1 3.89Å; M410-L481 HydrophobicContact SD-CD2 4.14Å; M410-L481 HydrophobicContact SD-CG 3.97Å; L429-L481 HydrophobicContact CD1-CD2 3.97Å; L453-L481 HydrophobicContact CD1-CB 4.18Å; A477-L481 WeakPolarHBondContact O-CB 3.45Å; A477-L481 PolarHBondContact O-N 3.15Å; V478-L481 WeakPolarHBondContact O-CB 3.48Å; V478-L481 PolarHBondContact O-N 3.06Å; L479-L481 VanDerWaalsContact C-N 3.3Å; L479-L481 PolarHBondContact O-N 3.38Å; L481-E484 PolarHBondContact O-N 3.24Å; L481-F485 PolarHBondContact O-N 2.99Å
482	M	97.7	Very high	92.5	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-65.4	-44.2	176.8	-60.2	-56.8	94.9	0	0	111.6	L426 L429 V478 L479 F485 I486 C502 I505 I506	L426-M482 HydrophobicContact CD2-CE 3.74Å; L426-M482 HydrophobicContact CD2-SD 3.96Å; L429-M482 HydrophobicContact CD1-CE 3.81Å; V478-M482 WeakPolarHBondContact O-CG 3.17Å; V478-M482 PolarHBondContact O-N 2.86Å; L479-M482 PolarHBondContact O-N 3.07Å; L479-M482 VanDerWaalsContact O-N 3.15Å; M482-F485 PolarHBondContact O-N 3.48Å; M482-I486 VanDerWaalsContact O-CG1 3.25Å; M482-I486 WeakPolarHBondContact O-CG1 3.44Å; M482-I486 PolarHBondContact O-N 3.32Å; M482-C502 HydrophobicContact SD-CB 3.89Å; M482-I505 HydrophobicContact CE-CD1 4.45Å; M482-I505 HydrophobicContact CG-CB 4.48Å; M482-I505 HydrophobicContact CG-CG2 4.14Å; M482-I505 HydrophobicContact SD-CB 4.01Å; M482-I505 HydrophobicContact SD-CD1 3.72Å; M482-I505 HydrophobicContact SD-CG1 4.49Å; M482-I505 HydrophobicContact SD-CG2 4.02Å; M482-I506 HydrophobicContact CB-CD1 3.8Å; M482-I506 HydrophobicContact CB-CG1 3.85Å; M482-I506 HydrophobicContact CG-CD1 4.46Å; M482-I506 HydrophobicContact CG-CG1 4.04Å
483	V	95.6	Very high	92.1	Very high	15 Å²	15	28 Å²	28	9%	0.091	14%	0.141	C	C	.	.	H	α-helix	trans	-62.3	-46.4	177	169.9	0	0	0	0	110.7	L479 D480 F485 I486 V487 L527 A530	L479-V483 WeakPolarHBondContact O-CG2 3.11Å; L479-V483 PolarHBondContact O-N 2.91Å; D480-V483 PolarHBondContact O-N 3.49Å; V483-F485 PolarHBondContact O-N 3.01Å; V483-I486 PolarHBondContact O-N 2.88Å; V483-V487 HydrophobicContact CG1-CG2 4.4Å; V483-V487 WeakPolarHBondContact O-CG2 3.33Å; V483-V487 PolarHBondContact O-N 3.2Å; V483-L527 HydrophobicContact CG2-CB 4.04Å; V483-L527 HydrophobicContact CG2-CD1 3.68Å; V483-L527 HydrophobicContact CG2-CG 4.47Å; V483-A530 HydrophobicContact CG1-CB 4.06Å
484	E	93.3	Very high	92	Very high	25 Å²	25	28 Å²	28	12%	0.117	14%	0.14	C	C	.	.	H	α-helix	trans	-59.1	-46.7	178.1	-177	67.7	-168.1	0	0	110.6	R455 M456 R461 D480 L481 I486 V487 T488	R455-E484 HydrophobicContact CG-CG 4.49Å; M456-E484 PolarHBondContact N-OE1 3.29Å; R461-E484 IonicContact CZ-OE1 3.52Å; R461-E484 IonicContact CZ-OE2 2.84Å; R461-E484 IonicContact NH1-OE1 3.19Å; R461-E484 PolarHBondContact NH1-OE1 3.49Å; R461-E484 IonicContact NH1-OE2 3.89Å; R461-E484 IonicContact NH2-OE1 3.88Å; R461-E484 PolarHBondContact NH2-OE1 3.11Å; R461-E484 VanDerWaalsContact NH2-OE1 3.07Å; R461-E484 IonicContact NH2-OE2 3.55Å; R461-E484 PolarHBondContact NH2-OE2 3.14Å; D480-E484 WeakPolarHBondContact O-CB 3.39Å; D480-E484 PolarHBondContact O-N 3.48Å; L481-E484 PolarHBondContact O-N 3.24Å; E484-I486 PolarHBondContact O-N 3.5Å; E484-V487 PolarHBondContact O-N 3.41Å; E484-T488 HydrophobicContact CG-CG2 4.31Å; E484-T488 WeakPolarHBondContact O-CB 3.17Å; E484-T488 VanDerWaalsContact O-CG2 3.23Å; E484-T488 WeakPolarHBondContact O-CG2 3.32Å; E484-T488 PolarHBondContact O-N 3.37Å; E484-T488 PolarHBondContact O-OG1 3.2Å; E484-T488 WeakPolarHBondContact OE1-CG2 3.35Å
485	F	94.6	Very high	91.9	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.018	15%	0.145	C	C	.	.	H	α-helix	trans	-58.7	-49.7	176.7	-174.4	-91.1	0	0	0	111.9	M410 T413 L481 M482 V483 V487 T488 H489 P495 L498 Y499 C502	M410-F485 HydrophobicContact CB-CD2 4.13Å; M410-F485 HydrophobicContact CG-CD2 4.37Å; M410-F485 HydrophobicContact SD-CD2 4.38Å; T413-F485 HydrophobicContact CG2-CE2 4.09Å; L481-F485 PolarHBondContact O-N 2.99Å; M482-F485 PolarHBondContact O-N 3.48Å; V483-F485 PolarHBondContact O-N 3.01Å; F485-V487 VanDerWaalsContact C-N 3.28Å; F485-V487 PolarHBondContact O-N 2.92Å; F485-T488 PolarHBondContact O-N 2.93Å; F485-T488 PolarHBondContact O-OG1 3.11Å; F485-H489 AromaticContact CD2-ND1 3.76Å; F485-H489 HydrophobicContact CE1-CB 4.31Å; F485-H489 HydrophobicContact CE2-CB 4.35Å; F485-H489 AromaticContact CE2-CD2 3.82Å; F485-H489 AromaticContact CE2-CG 3.74Å; F485-H489 AromaticContact CE2-ND1 3.94Å; F485-H489 HydrophobicContact CZ-CB 4.14Å; F485-H489 WeakPolarHBondContact O-CB 3.33Å; F485-H489 PolarHBondContact O-N 3.35Å; F485-H489 VanDerWaalsContact O-N 3.13Å; F485-H489 PolarHBondContact O-ND1 2.97Å; F485-P495 HydrophobicContact CZ-CG 4.22Å; F485-L498 HydrophobicContact CE1-CB 3.75Å; F485-L498 HydrophobicContact CE2-CB 4.5Å; F485-L498 HydrophobicContact CE2-CD1 4.06Å; F485-L498 HydrophobicContact CZ-CB 3.5Å; F485-L498 HydrophobicContact CZ-CD1 3.64Å; F485-L498 HydrophobicContact CZ-CG 4.22Å; F485-Y499 HydrophobicContact CE1-CD2 4.2Å; F485-Y499 HydrophobicContact CE1-CE2 4.18Å; F485-Y499 HydrophobicContact CE1-CG 4.46Å; F485-C502 WeakPolarHBondContact CD1-SG 3.44Å
486	I	94.6	Very high	91.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-58.3	-41.3	-179.1	-70.8	166	0	0	0	111.5	M482 V483 E484 Y499 C502 V503 I506 A530 L531 L534	M482-I486 VanDerWaalsContact O-CG1 3.25Å; M482-I486 WeakPolarHBondContact O-CG1 3.44Å; M482-I486 PolarHBondContact O-N 3.32Å; V483-I486 PolarHBondContact O-N 2.88Å; E484-I486 PolarHBondContact O-N 3.5Å; I486-Y499 HydrophobicContact CB-CE1 4.32Å; I486-Y499 HydrophobicContact CG1-CD1 4.27Å; I486-Y499 HydrophobicContact CG1-CE1 4.27Å; I486-Y499 HydrophobicContact CG2-CE1 4.32Å; I486-Y499 PolarHBondContact O-OH 3.16Å; I486-C502 HydrophobicContact CG1-CB 4.4Å; I486-V503 HydrophobicContact CD1-CG2 4.46Å; I486-I506 HydrophobicContact CD1-CD1 3.88Å; I486-A530 HydrophobicContact CG2-CB 4.07Å; I486-L531 HydrophobicContact CD1-CD2 4.34Å; I486-L534 HydrophobicContact CG2-CB 4.09Å; I486-L534 HydrophobicContact CG2-CD2 4.25Å
487	V	90.9	Very high	91.6	Very high	58 Å²	58	32.2 Å²	32.2	35%	0.352	16%	0.163	S	C	.	.	H	α-helix	trans	-75.1	-31.7	-177.5	172.3	0	0	0	0	112.1	V483 E484 F485 M490 A530	V483-V487 HydrophobicContact CG1-CG2 4.4Å; V483-V487 WeakPolarHBondContact O-CG2 3.33Å; V483-V487 PolarHBondContact O-N 3.2Å; E484-V487 PolarHBondContact O-N 3.41Å; F485-V487 VanDerWaalsContact C-N 3.28Å; F485-V487 PolarHBondContact O-N 2.92Å; V487-M490 WeakPolarHBondContact O-CE 3.14Å; V487-A530 HydrophobicContact CG2-CB 3.68Å
488	T	87.8	Confident	91.6	Very high	15 Å²	15	32.3 Å²	32.3	9%	0.092	16%	0.163	C	C	.	.	H	α-helix	trans	-93.7	-22.7	-168.8	53.2	0	0	0	0	114.7	M456 M458 E484 F485	M456-T488 HydrophobicContact CB-CG2 3.81Å; M456-T488 HydrophobicContact SD-CG2 4.38Å; M458-T488 VanDerWaalsContact CE-CA 3.47Å; M458-T488 HydrophobicContact CE-CG2 3.63Å; E484-T488 HydrophobicContact CG-CG2 4.31Å; E484-T488 WeakPolarHBondContact O-CB 3.17Å; E484-T488 VanDerWaalsContact O-CG2 3.23Å; E484-T488 WeakPolarHBondContact O-CG2 3.32Å; E484-T488 PolarHBondContact O-N 3.37Å; E484-T488 PolarHBondContact O-OG1 3.2Å; E484-T488 WeakPolarHBondContact OE1-CG2 3.35Å; F485-T488 PolarHBondContact O-N 2.93Å; F485-T488 PolarHBondContact O-OG1 3.11Å
489	H	88.2	Confident	91.6	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.009	16%	0.162	C	C	.	.			trans	-105.4	23.3	-170.3	-69.9	68.2	0	0	0	113.9	M410 T413 F485 M491 Y499	M410-H489 PolarHBondContact O-CE1 3.42Å; M410-H489 PolarHBondContact O-NE2 3.15Å; T413-H489 PolarHBondContact OG1-CD2 3.24Å; F485-H489 AromaticContact CD2-ND1 3.76Å; F485-H489 HydrophobicContact CE1-CB 4.31Å; F485-H489 HydrophobicContact CE2-CB 4.35Å; F485-H489 AromaticContact CE2-CD2 3.82Å; F485-H489 AromaticContact CE2-CG 3.74Å; F485-H489 AromaticContact CE2-ND1 3.94Å; F485-H489 HydrophobicContact CZ-CB 4.14Å; F485-H489 WeakPolarHBondContact O-CB 3.33Å; F485-H489 PolarHBondContact O-N 3.35Å; F485-H489 VanDerWaalsContact O-N 3.13Å; F485-H489 PolarHBondContact O-ND1 2.97Å; H489-M491 HydrophobicContact CB-CE 3.82Å; H489-M491 WeakPolarHBondContact CD2-CE 3.4Å; H489-M491 PolarHBondContact O-N 3.17Å; H489-Y499 HydrophobicContact CB-CE2 4.27Å; H489-Y499 PolarHBondContact O-OH 2.85Å
490	M	86.1	Confident	91.5	Very high	60 Å²	60	33.3 Å²	33.3	30%	0.296	17%	0.168	S	C	.	.			trans	-78.3	71.4	176.5	-74.2	-174.9	-74	0	0	110.1	V487 Y499 N533 F537	V487-M490 WeakPolarHBondContact O-CE 3.14Å; M490-Y499 PolarHBondContact N-OH 3.37Å; M490-Y499 VanDerWaalsContact N-OH 3.12Å; M490-N533 HydrophobicContact CE-CB 4.44Å; M490-F537 HydrophobicContact CB-CD2 3.72Å; M490-F537 HydrophobicContact CB-CE2 3.92Å; M490-F537 HydrophobicContact CB-CG 4.06Å; M490-F537 HydrophobicContact CB-CZ 4.44Å; M490-F537 HydrophobicContact CG-CB 4.23Å; M490-F537 HydrophobicContact CG-CD1 4.43Å; M490-F537 HydrophobicContact CG-CD2 4.18Å; M490-F537 HydrophobicContact CG-CG 4.02Å; M490-F537 HydrophobicContact SD-CB 3.67Å; M490-F537 HydrophobicContact SD-CD2 4.33Å; M490-F537 HydrophobicContact SD-CG 4.08Å
491	M	84.1	Confident	91.6	Very high	56 Å²	56	33.2 Å²	33.2	28%	0.276	17%	0.167	S	C	.	.			trans	-115.7	169.4	-170.9	69.7	-179.6	89.1	0	0	113	H489 D493 F537	H489-M491 HydrophobicContact CB-CE 3.82Å; H489-M491 WeakPolarHBondContact CD2-CE 3.4Å; H489-M491 PolarHBondContact O-N 3.17Å; M491-D493 VanDerWaalsContact CG-O 3.23Å; M491-D493 WeakPolarHBondContact CG-O 3.35Å; M491-D493 PolarHBondContact O-N 2.94Å; M491-F537 WeakPolarHBondContact O-CZ 3.39Å
492	K	78.3	Confident	91.7	Very high	201 Å²	201	33 Å²	33	87%	0.874	17%	0.166	S	C	*	.	S	Bend	trans	-60.9	-43.2	-179.4	-70.6	-176.1	179.3	179.2	0	112.7	F494	K492-F494 PolarHBondContact O-N 3.47Å
493	D	83.2	Confident	91.7	Very high	114 Å²	114	33 Å²	33	61%	0.61	17%	0.166	S	C	*	.	S	Bend	trans	-89.5	81.9	173.4	-164.1	34.3	0	0	0	109.1	M491 P495	M491-D493 VanDerWaalsContact CG-O 3.23Å; M491-D493 WeakPolarHBondContact CG-O 3.35Å; M491-D493 PolarHBondContact O-N 2.94Å; D493-P495 VanDerWaalsContact O-CD 3.24Å; D493-P495 WeakPolarHBondContact O-CD 3.48Å
494	F	89.8	Confident	91.8	Very high	7 Å²	7	35.1 Å²	35.1	3%	0.031	18%	0.175	C	C	.	.			trans	-75.2	115.1	-167.1	-177.7	-108	0	0	0	111.4	K492 M496 Y499 L534 F537 L538 L545 L554	K492-F494 PolarHBondContact O-N 3.47Å; F494-M496 HydrophobicContact CD1-CB 4.05Å; F494-M496 HydrophobicContact CD1-SD 4.24Å; F494-M496 HydrophobicContact CE1-CB 4.16Å; F494-M496 HydrophobicContact CE1-SD 3.65Å; F494-M496 PolarHBondContact O-N 3.5Å; F494-Y499 HydrophobicContact CD2-CD2 4.15Å; F494-Y499 AromaticContact CD2-CE2 3.72Å; F494-Y499 HydrophobicContact CD2-CE2 3.72Å; F494-Y499 HydrophobicContact CE1-CD2 4.07Å; F494-Y499 HydrophobicContact CE1-CG 4.48Å; F494-Y499 HydrophobicContact CE2-CD1 4.39Å; F494-Y499 AromaticContact CE2-CD2 3.45Å; F494-Y499 HydrophobicContact CE2-CD2 3.45Å; F494-Y499 VanDerWaalsContact CE2-CD2 3.45Å; F494-Y499 HydrophobicContact CE2-CE1 4.14Å; F494-Y499 AromaticContact CE2-CE2 3.16Å; F494-Y499 HydrophobicContact CE2-CE2 3.16Å; F494-Y499 HydrophobicContact CE2-CG 4.06Å; F494-Y499 AromaticContact CE2-CZ 3.53Å; F494-Y499 HydrophobicContact CZ-CD1 4.21Å; F494-Y499 AromaticContact CZ-CD2 3.39Å; F494-Y499 HydrophobicContact CZ-CD2 3.39Å; F494-Y499 HydrophobicContact CZ-CE1 4.4Å; F494-Y499 AromaticContact CZ-CE2 3.66Å; F494-Y499 HydrophobicContact CZ-CE2 3.66Å; F494-Y499 AromaticContact CZ-CG 3.68Å; F494-Y499 HydrophobicContact CZ-CG 3.68Å; F494-L534 HydrophobicContact CE2-CD1 4.19Å; F494-L534 HydrophobicContact CZ-CD1 4.06Å; F494-F537 HydrophobicContact CD2-CD1 4.23Å; F494-F537 AromaticContact CD2-CE1 3.48Å; F494-F537 HydrophobicContact CD2-CE1 3.48Å; F494-F537 VanDerWaalsContact CD2-CE1 3.48Å; F494-F537 HydrophobicContact CD2-CZ 4.23Å; F494-F537 HydrophobicContact CE2-CD1 4.04Å; F494-F537 AromaticContact CE2-CE1 3.77Å; F494-F537 HydrophobicContact CE2-CE1 3.77Å; F494-F537 HydrophobicContact CG-CE1 4.2Å; F494-L538 HydrophobicContact CE1-CD2 4.15Å; F494-L538 HydrophobicContact CZ-CD2 4.03Å; F494-L545 HydrophobicContact CB-CD2 3.63Å; F494-L545 HydrophobicContact CD1-CD2 4.1Å; F494-L545 HydrophobicContact CG-CD2 4.01Å; F494-L554 HydrophobicContact CE1-CD2 3.98Å; F494-L554 HydrophobicContact CZ-CD2 3.79Å
495	P	91.6	Very high	92	Very high	17 Å²	17	34 Å²	34	11%	0.11	17%	0.169	C	C	.	.			trans	-77.6	69.6	-177.5	32.8	-37	0	0	0	111.7	L419 F485 D493 D497 L498 Y499	L419-P495 HydrophobicContact CD1-CB 4.05Å; F485-P495 HydrophobicContact CZ-CG 4.22Å; D493-P495 VanDerWaalsContact O-CD 3.24Å; D493-P495 WeakPolarHBondContact O-CD 3.48Å; P495-D497 VanDerWaalsContact C-N 3.29Å; P495-D497 PolarHBondContact O-N 3.01Å; P495-D497 VanDerWaalsContact O-N 3.16Å; P495-L498 HydrophobicContact CB-CB 4.32Å; P495-L498 HydrophobicContact CB-CD1 4.11Å; P495-L498 HydrophobicContact CB-CG 4.13Å; P495-L498 PolarHBondContact O-N 2.95Å; P495-Y499 HydrophobicContact CG-CD2 4.12Å; P495-Y499 HydrophobicContact CG-CE2 3.88Å; P495-Y499 WeakPolarHBondContact O-CD2 3.44Å; P495-Y499 PolarHBondContact O-N 3.42Å
496	M	93.3	Very high	92.2	Very high	16 Å²	16	33.8 Å²	33.8	8%	0.079	17%	0.168	C	C	.	.	H	α-helix	trans	-49.7	-43.2	-172.8	-179.1	73.6	-177	0	0	113.7	F494 L498 Y499 L500 H549 N550 L554	F494-M496 HydrophobicContact CD1-CB 4.05Å; F494-M496 HydrophobicContact CD1-SD 4.24Å; F494-M496 HydrophobicContact CE1-CB 4.16Å; F494-M496 HydrophobicContact CE1-SD 3.65Å; F494-M496 PolarHBondContact O-N 3.5Å; M496-L498 PolarHBondContact O-N 3.26Å; M496-Y499 PolarHBondContact O-N 2.83Å; M496-L500 HydrophobicContact CE-CD1 4.23Å; M496-L500 HydrophobicContact CE-CD2 4.15Å; M496-L500 HydrophobicContact CE-CG 4.23Å; M496-L500 HydrophobicContact CG-CD1 4.43Å; M496-L500 WeakPolarHBondContact O-CG 3.34Å; M496-L500 PolarHBondContact O-N 3.2Å; M496-L500 VanDerWaalsContact O-N 3.09Å; M496-H549 HydrophobicContact CB-CB 4.42Å; M496-H549 HydrophobicContact CG-CB 4.03Å; M496-H549 HydrophobicContact SD-CB 4.2Å; M496-N550 WeakPolarHBondContact CE-O 3.43Å; M496-L554 HydrophobicContact CE-CB 3.51Å; M496-L554 HydrophobicContact CE-CD2 4.38Å; M496-L554 HydrophobicContact SD-CB 4.19Å; M496-L554 HydrophobicContact SD-CD2 3.96Å
497	D	93.4	Very high	92.4	Very high	58 Å²	58	34.7 Å²	34.7	31%	0.31	17%	0.173	S	C	.	.	H	α-helix	trans	-60.9	-42	179.6	-177	74.3	0	0	0	112.2	R423 P495 L500 R501	R423-D497 IonicContact CZ-OD2 3.98Å; R423-D497 IonicContact NE-OD2 3.84Å; R423-D497 PolarHBondContact NE-OD2 3.46Å; P495-D497 VanDerWaalsContact C-N 3.29Å; P495-D497 PolarHBondContact O-N 3.01Å; P495-D497 VanDerWaalsContact O-N 3.16Å; D497-L500 PolarHBondContact O-N 3.21Å; D497-R501 WeakPolarHBondContact O-CG 3.37Å; D497-R501 PolarHBondContact O-N 2.98Å; D497-R501 IonicContact OD1-CZ 2.78Å; D497-R501 IonicContact OD1-NE 2.69Å; D497-R501 IonicContact OD1-NH2 3.78Å; D497-R501 PolarHBondContact OD1-NH2 3.03Å; D497-R501 IonicContact OD2-CZ 3.45Å; D497-R501 IonicContact OD2-NE 3.73Å; D497-R501 PolarHBondContact OD2-NE 3.26Å; D497-R501 IonicContact OD2-NH2 3.07Å; D497-R501 PolarHBondContact OD2-NH2 3.37Å
498	L	95.7	Very high	92.7	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.021	16%	0.157	C	C	.	.	H	α-helix	trans	-67.2	-40.2	179.3	-55.8	-169	0	0	0	111.3	T413 L419 A422 R423 L426 F485 P495 M496 L500 R501 C502	T413-L498 HydrophobicContact CG2-CD1 4.14Å; L419-L498 HydrophobicContact CD1-CD1 3.57Å; L419-L498 HydrophobicContact CD1-CG 4.26Å; A422-L498 HydrophobicContact CB-CD1 4.13Å; R423-L498 HydrophobicContact CB-CD2 3.68Å; R423-L498 HydrophobicContact CG-CD2 4.16Å; L426-L498 HydrophobicContact CD1-CB 3.82Å; L426-L498 HydrophobicContact CD1-CD2 3.9Å; L426-L498 HydrophobicContact CD1-CG 4.35Å; F485-L498 HydrophobicContact CE1-CB 3.75Å; F485-L498 HydrophobicContact CE2-CB 4.5Å; F485-L498 HydrophobicContact CE2-CD1 4.06Å; F485-L498 HydrophobicContact CZ-CB 3.5Å; F485-L498 HydrophobicContact CZ-CD1 3.64Å; F485-L498 HydrophobicContact CZ-CG 4.22Å; P495-L498 HydrophobicContact CB-CB 4.32Å; P495-L498 HydrophobicContact CB-CD1 4.11Å; P495-L498 HydrophobicContact CB-CG 4.13Å; P495-L498 PolarHBondContact O-N 2.95Å; M496-L498 PolarHBondContact O-N 3.26Å; L498-L500 PolarHBondContact O-N 3.27Å; L498-R501 PolarHBondContact O-N 3.48Å; L498-C502 PolarHBondContact O-N 3.05Å; L498-C502 PolarHBondContact O-SG 2.78Å
499	Y	95.9	Very high	93.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-61.9	-42.3	175.3	-84	-84.5	0	0	0	113	F485 I486 H489 M490 F494 P495 M496 R501 C502 V503 L534 L554	F485-Y499 HydrophobicContact CE1-CD2 4.2Å; F485-Y499 HydrophobicContact CE1-CE2 4.18Å; F485-Y499 HydrophobicContact CE1-CG 4.46Å; I486-Y499 HydrophobicContact CB-CE1 4.32Å; I486-Y499 HydrophobicContact CG1-CD1 4.27Å; I486-Y499 HydrophobicContact CG1-CE1 4.27Å; I486-Y499 HydrophobicContact CG2-CE1 4.32Å; I486-Y499 PolarHBondContact O-OH 3.16Å; H489-Y499 HydrophobicContact CB-CE2 4.27Å; H489-Y499 PolarHBondContact O-OH 2.85Å; M490-Y499 PolarHBondContact N-OH 3.37Å; M490-Y499 VanDerWaalsContact N-OH 3.12Å; F494-Y499 HydrophobicContact CD2-CD2 4.15Å; F494-Y499 AromaticContact CD2-CE2 3.72Å; F494-Y499 HydrophobicContact CD2-CE2 3.72Å; F494-Y499 HydrophobicContact CE1-CD2 4.07Å; F494-Y499 HydrophobicContact CE1-CG 4.48Å; F494-Y499 HydrophobicContact CE2-CD1 4.39Å; F494-Y499 AromaticContact CE2-CD2 3.45Å; F494-Y499 HydrophobicContact CE2-CD2 3.45Å; F494-Y499 VanDerWaalsContact CE2-CD2 3.45Å; F494-Y499 HydrophobicContact CE2-CE1 4.14Å; F494-Y499 AromaticContact CE2-CE2 3.16Å; F494-Y499 HydrophobicContact CE2-CE2 3.16Å; F494-Y499 HydrophobicContact CE2-CG 4.06Å; F494-Y499 AromaticContact CE2-CZ 3.53Å; F494-Y499 HydrophobicContact CZ-CD1 4.21Å; F494-Y499 AromaticContact CZ-CD2 3.39Å; F494-Y499 HydrophobicContact CZ-CD2 3.39Å; F494-Y499 HydrophobicContact CZ-CE1 4.4Å; F494-Y499 AromaticContact CZ-CE2 3.66Å; F494-Y499 HydrophobicContact CZ-CE2 3.66Å; F494-Y499 AromaticContact CZ-CG 3.68Å; F494-Y499 HydrophobicContact CZ-CG 3.68Å; P495-Y499 HydrophobicContact CG-CD2 4.12Å; P495-Y499 HydrophobicContact CG-CE2 3.88Å; P495-Y499 WeakPolarHBondContact O-CD2 3.44Å; P495-Y499 PolarHBondContact O-N 3.42Å; M496-Y499 PolarHBondContact O-N 2.83Å; Y499-R501 VanDerWaalsContact C-N 3.3Å; Y499-R501 PolarHBondContact O-N 3.26Å; Y499-C502 PolarHBondContact O-N 3.45Å; Y499-V503 WeakPolarHBondContact O-CG2 3.49Å; Y499-V503 PolarHBondContact O-N 3.07Å; Y499-L534 HydrophobicContact CD1-CD1 3.71Å; Y499-L534 HydrophobicContact CD1-CD2 3.82Å; Y499-L534 HydrophobicContact CD1-CG 4.43Å; Y499-L534 HydrophobicContact CE1-CD1 3.56Å; Y499-L534 HydrophobicContact CE1-CD2 4.25Å; Y499-L554 HydrophobicContact CG-CD2 4.39Å
500	L	96.4	Very high	93.6	Very high	27 Å²	27	31.5 Å²	31.5	14%	0.141	15%	0.153	C	C	.	.	H	α-helix	trans	-57.7	-46.3	175.9	-71.8	171.7	0	0	0	110.6	M496 D497 L498 V503 Q504 H553 L554 L557	M496-L500 HydrophobicContact CE-CD1 4.23Å; M496-L500 HydrophobicContact CE-CD2 4.15Å; M496-L500 HydrophobicContact CE-CG 4.23Å; M496-L500 HydrophobicContact CG-CD1 4.43Å; M496-L500 WeakPolarHBondContact O-CG 3.34Å; M496-L500 PolarHBondContact O-N 3.2Å; M496-L500 VanDerWaalsContact O-N 3.09Å; D497-L500 PolarHBondContact O-N 3.21Å; L498-L500 PolarHBondContact O-N 3.27Å; L500-V503 PolarHBondContact O-N 3.29Å; L500-Q504 WeakPolarHBondContact O-CB 3.43Å; L500-Q504 WeakPolarHBondContact O-CG 3.4Å; L500-Q504 PolarHBondContact O-N 2.69Å; L500-H553 WeakPolarHBondContact CD2-CD2 3.4Å; L500-L554 HydrophobicContact CD2-CB 3.87Å; L500-L554 HydrophobicContact CD2-CD1 4Å; L500-L557 HydrophobicContact CD2-CD1 3.64Å
501	R	96.6	Very high	94.2	Very high	14 Å²	14	29.2 Å²	29.2	5%	0.053	14%	0.142	C	C	.	.	H	α-helix	trans	-63.7	-45.1	178	-66.1	173.4	-166.1	-75.9	-6.8	112.2	L426 I427 D497 L498 Y499 V503 Q504 I505 E683	L426-R501 HydrophobicContact CB-CB 3.99Å; L426-R501 HydrophobicContact CD1-CB 4Å; L426-R501 HydrophobicContact CG-CB 4.5Å; I427-R501 VanDerWaalsContact CG1-NH1 3.34Å; D497-R501 WeakPolarHBondContact O-CG 3.37Å; D497-R501 PolarHBondContact O-N 2.98Å; D497-R501 IonicContact OD1-CZ 2.78Å; D497-R501 IonicContact OD1-NE 2.69Å; D497-R501 IonicContact OD1-NH2 3.78Å; D497-R501 PolarHBondContact OD1-NH2 3.03Å; D497-R501 IonicContact OD2-CZ 3.45Å; D497-R501 IonicContact OD2-NE 3.73Å; D497-R501 PolarHBondContact OD2-NE 3.26Å; D497-R501 IonicContact OD2-NH2 3.07Å; D497-R501 PolarHBondContact OD2-NH2 3.37Å; L498-R501 PolarHBondContact O-N 3.48Å; Y499-R501 VanDerWaalsContact C-N 3.3Å; Y499-R501 PolarHBondContact O-N 3.26Å; R501-V503 PolarHBondContact O-N 3.5Å; R501-Q504 PolarHBondContact O-N 3.26Å; R501-I505 VanDerWaalsContact O-CG1 3.31Å; R501-I505 WeakPolarHBondContact O-CG1 3.35Å; R501-I505 PolarHBondContact O-N 2.85Å; R501-E683 IonicContact CZ-OE1 3.76Å; R501-E683 IonicContact NH1-OE1 2.7Å; R501-E683 PolarHBondContact NH1-OE1 2.88Å; R501-E683 VanDerWaalsContact NH2-CD 3.34Å; R501-E683 IonicContact NH2-OE1 3.44Å; R501-E683 PolarHBondContact NH2-OE1 2.98Å; R501-E683 IonicContact NH2-OE2 3.79Å; R501-E683 PolarHBondContact NH2-OE2 3.02Å
502	C	97.8	Very high	94.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-58	-47.8	178.2	-69.1	0	0	0	0	112	M482 F485 I486 L498 Y499 Q504 I505 I506	M482-C502 HydrophobicContact SD-CB 3.89Å; F485-C502 WeakPolarHBondContact CD1-SG 3.44Å; I486-C502 HydrophobicContact CG1-CB 4.4Å; L498-C502 PolarHBondContact O-N 3.05Å; L498-C502 PolarHBondContact O-SG 2.78Å; Y499-C502 PolarHBondContact O-N 3.45Å; C502-Q504 VanDerWaalsContact C-N 3.33Å; C502-Q504 PolarHBondContact O-N 2.95Å; C502-I505 PolarHBondContact O-N 3.25Å; C502-I506 WeakPolarHBondContact O-CG1 3.34Å; C502-I506 PolarHBondContact O-N 3.32Å; C502-I506 VanDerWaalsContact O-N 3.11Å
503	V	98.2	Very high	95.7	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.006	9%	0.093	C	C	.	.	H	α-helix	trans	-66.4	-36.9	178.7	179.1	0	0	0	0	111.2	I486 Y499 L500 R501 I506 H507 L531 L534 L554 L557 V558 L561	I486-V503 HydrophobicContact CD1-CG2 4.46Å; Y499-V503 WeakPolarHBondContact O-CG2 3.49Å; Y499-V503 PolarHBondContact O-N 3.07Å; L500-V503 PolarHBondContact O-N 3.29Å; R501-V503 PolarHBondContact O-N 3.5Å; V503-I506 PolarHBondContact O-N 3.2Å; V503-H507 WeakPolarHBondContact O-CB 3.42Å; V503-H507 PolarHBondContact O-N 3.1Å; V503-L531 HydrophobicContact CG2-CD2 4.44Å; V503-L534 HydrophobicContact CG2-CD2 4.36Å; V503-L554 HydrophobicContact CB-CD1 4.45Å; V503-L554 HydrophobicContact CG2-CD1 3.9Å; V503-L557 HydrophobicContact CG1-CB 3.61Å; V503-V558 HydrophobicContact CG1-CG2 4.29Å; V503-V558 HydrophobicContact CG2-CG2 4.16Å; V503-L561 HydrophobicContact CG1-CD1 3.69Å; V503-L561 HydrophobicContact CG1-CG 4.2Å
504	Q	97.6	Very high	96.3	Very high	59 Å²	59	15 Å²	15	28%	0.276	7%	0.073	S	C	.	.	H	α-helix	trans	-67.6	-36.1	175.2	-75.6	172.1	-12.8	0	0	113.3	L500 R501 C502 H507 K508 L557	L500-Q504 WeakPolarHBondContact O-CB 3.43Å; L500-Q504 WeakPolarHBondContact O-CG 3.4Å; L500-Q504 PolarHBondContact O-N 2.69Å; R501-Q504 PolarHBondContact O-N 3.26Å; C502-Q504 VanDerWaalsContact C-N 3.33Å; C502-Q504 PolarHBondContact O-N 2.95Å; Q504-H507 PolarHBondContact O-N 2.74Å; Q504-K508 VanDerWaalsContact O-CG 3.26Å; Q504-K508 WeakPolarHBondContact O-CG 3.37Å; Q504-K508 PolarHBondContact O-N 3.01Å; Q504-L557 HydrophobicContact CG-CD1 4.04Å
505	I	98.6	Very high	96.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-63.6	-48.6	174	-70.3	160.7	0	0	0	109.4	L426 L429 A433 V478 M482 R501 C502 H507 K508 L509	L426-I505 HydrophobicContact CB-CD1 4.38Å; L426-I505 HydrophobicContact CD2-CD1 3.79Å; L429-I505 HydrophobicContact CB-CD1 3.84Å; A433-I505 HydrophobicContact CB-CG2 4.4Å; V478-I505 HydrophobicContact CG1-CG2 4.05Å; M482-I505 HydrophobicContact CE-CD1 4.45Å; M482-I505 HydrophobicContact CG-CB 4.48Å; M482-I505 HydrophobicContact CG-CG2 4.14Å; M482-I505 HydrophobicContact SD-CB 4.01Å; M482-I505 HydrophobicContact SD-CD1 3.72Å; M482-I505 HydrophobicContact SD-CG1 4.49Å; M482-I505 HydrophobicContact SD-CG2 4.02Å; R501-I505 VanDerWaalsContact O-CG1 3.31Å; R501-I505 WeakPolarHBondContact O-CG1 3.35Å; R501-I505 PolarHBondContact O-N 2.85Å; C502-I505 PolarHBondContact O-N 3.25Å; I505-H507 VanDerWaalsContact C-N 3.25Å; I505-H507 PolarHBondContact O-N 3.28Å; I505-K508 PolarHBondContact O-N 3.38Å; I505-L509 HydrophobicContact CG2-CD1 4.06Å; I505-L509 HydrophobicContact CG2-CG 4.46Å; I505-L509 WeakPolarHBondContact O-CG 3.21Å; I505-L509 PolarHBondContact O-N 3.08Å
506	I	98.5	Very high	96.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-55.5	-44.6	175.3	-65.5	158.1	0	0	0	110.5	L479 M482 I486 C502 V503 K508 L509 L510 L527 L561	L479-I506 HydrophobicContact CD2-CG1 4.2Å; L479-I506 HydrophobicContact CD2-CG2 4.35Å; M482-I506 HydrophobicContact CB-CD1 3.8Å; M482-I506 HydrophobicContact CB-CG1 3.85Å; M482-I506 HydrophobicContact CG-CD1 4.46Å; M482-I506 HydrophobicContact CG-CG1 4.04Å; I486-I506 HydrophobicContact CD1-CD1 3.88Å; C502-I506 WeakPolarHBondContact O-CG1 3.34Å; C502-I506 PolarHBondContact O-N 3.32Å; C502-I506 VanDerWaalsContact O-N 3.11Å; V503-I506 PolarHBondContact O-N 3.2Å; I506-K508 PolarHBondContact O-N 2.92Å; I506-L509 PolarHBondContact O-N 3.45Å; I506-L510 HydrophobicContact CG2-CD1 3.92Å; I506-L510 HydrophobicContact CG2-CG 4.46Å; I506-L510 VanDerWaalsContact O-CG 3.32Å; I506-L510 WeakPolarHBondContact O-CG 3.17Å; I506-L510 PolarHBondContact O-N 2.83Å; I506-L527 HydrophobicContact CD1-CD1 3.78Å; I506-L527 HydrophobicContact CG1-CD1 4.44Å; I506-L527 HydrophobicContact CG2-CD1 4.33Å; I506-L527 HydrophobicContact CG2-CD2 4.04Å; I506-L561 HydrophobicContact CB-CD1 4.21Å; I506-L561 HydrophobicContact CG2-CD1 3.76Å; I506-L561 HydrophobicContact CG2-CD2 4.33Å
507	H	98.2	Very high	96.9	Very high	19 Å²	19	31.8 Å²	31.8	9%	0.088	15%	0.145	C	C	.	.	H	α-helix	trans	-60.6	-45.7	178.9	-177.6	-133	0	0	0	112.7	V503 Q504 I505 L510 C511 L561 L671 Q673	V503-H507 WeakPolarHBondContact O-CB 3.42Å; V503-H507 PolarHBondContact O-N 3.1Å; Q504-H507 PolarHBondContact O-N 2.74Å; I505-H507 VanDerWaalsContact C-N 3.25Å; I505-H507 PolarHBondContact O-N 3.28Å; H507-L510 PolarHBondContact O-N 2.91Å; H507-C511 PolarHBondContact O-N 3.11Å; H507-C511 PolarHBondContact O-SG 2.81Å; H507-L561 HydrophobicContact CB-CD2 3.63Å; H507-L671 PolarHBondContact CE1-O 3.23Å; H507-L671 PolarHBondContact NE2-O 2.65Å; H507-Q673 PolarHBondContact CE1-O 3.31Å
508	K	98	Very high	97	Very high	8 Å²	8	30.9 Å²	30.9	4%	0.035	14%	0.14	C	C	.	.	H	α-helix	trans	-61.6	-46.6	178.1	-72.9	169.7	169.7	79.8	0	112.3	T430 A433 E434 Q504 I505 I506 L510 C511 Y512 F674	T430-K508 HydrophobicContact CG2-CD 4.31Å; A433-K508 HydrophobicContact CB-CB 4.29Å; A433-K508 HydrophobicContact CB-CD 4.46Å; E434-K508 VanDerWaalsContact CD-CE 3.45Å; E434-K508 HydrophobicContact CG-CD 3.65Å; E434-K508 HydrophobicContact CG-CG 4.49Å; E434-K508 WeakPolarHBondContact OE1-CE 3.46Å; E434-K508 IonicContact OE1-NZ 2.71Å; Q504-K508 VanDerWaalsContact O-CG 3.26Å; Q504-K508 WeakPolarHBondContact O-CG 3.37Å; Q504-K508 PolarHBondContact O-N 3.01Å; I505-K508 PolarHBondContact O-N 3.38Å; I506-K508 PolarHBondContact O-N 2.92Å; K508-L510 VanDerWaalsContact C-N 3.32Å; K508-L510 PolarHBondContact O-N 3.41Å; K508-C511 WeakPolarHBondContact O-CB 3.39Å; K508-C511 PolarHBondContact O-N 3.19Å; K508-C511 VanDerWaalsContact O-N 3.08Å; K508-Y512 PolarHBondContact O-N 3.13Å; K508-F674 HydrophobicContact CD-CD2 4.46Å; K508-F674 HydrophobicContact CD-CE2 4.31Å; K508-F674 HydrophobicContact CG-CD1 4.18Å; K508-F674 HydrophobicContact CG-CD2 3.92Å; K508-F674 HydrophobicContact CG-CE1 4.12Å; K508-F674 HydrophobicContact CG-CE2 3.87Å; K508-F674 HydrophobicContact CG-CG 4.07Å; K508-F674 HydrophobicContact CG-CZ 3.97Å
509	L	98.1	Very high	97	Very high	0 Å²	0	38 Å²	38	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-58.8	-44.4	176.5	-64	172.7	0	0	0	111	A433 D439 L442 V475 V478 L479 I505 I506 C511 Y512 Q513	A433-L509 HydrophobicContact CB-CD2 3.92Å; A433-L509 HydrophobicContact CB-CG 4.32Å; D439-L509 WeakPolarHBondContact OD1-CD2 3.21Å; L442-L509 HydrophobicContact CD1-CD2 4.35Å; V475-L509 HydrophobicContact CG2-CB 4.49Å; V475-L509 HydrophobicContact CG2-CD1 4.06Å; V475-L509 HydrophobicContact CG2-CD2 4.13Å; V475-L509 HydrophobicContact CG2-CG 4.45Å; V478-L509 HydrophobicContact CB-CD1 4.3Å; V478-L509 HydrophobicContact CG1-CD1 3.86Å; L479-L509 HydrophobicContact CD2-CD1 3.95Å; L479-L509 HydrophobicContact CG-CD1 4.27Å; I505-L509 HydrophobicContact CG2-CD1 4.06Å; I505-L509 HydrophobicContact CG2-CG 4.46Å; I505-L509 WeakPolarHBondContact O-CG 3.21Å; I505-L509 PolarHBondContact O-N 3.08Å; I506-L509 PolarHBondContact O-N 3.45Å; L509-C511 VanDerWaalsContact C-N 3.34Å; L509-C511 PolarHBondContact O-N 3.29Å; L509-Y512 PolarHBondContact O-N 2.95Å; L509-Q513 VanDerWaalsContact O-CG 3.31Å; L509-Q513 WeakPolarHBondContact O-CG 3.32Å; L509-Q513 PolarHBondContact O-N 3.39Å
510	L	97.4	Very high	96.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-64.5	-36.1	175.4	-70.8	170.8	0	0	0	112.7	I506 H507 K508 Y512 Q513 K514 W524 L561 M564 F565 F572	I506-L510 HydrophobicContact CG2-CD1 3.92Å; I506-L510 HydrophobicContact CG2-CG 4.46Å; I506-L510 VanDerWaalsContact O-CG 3.32Å; I506-L510 WeakPolarHBondContact O-CG 3.17Å; I506-L510 PolarHBondContact O-N 2.83Å; H507-L510 PolarHBondContact O-N 2.91Å; K508-L510 VanDerWaalsContact C-N 3.32Å; K508-L510 PolarHBondContact O-N 3.41Å; L510-Y512 VanDerWaalsContact C-N 3.34Å; L510-Q513 PolarHBondContact O-N 2.9Å; L510-K514 WeakPolarHBondContact O-CB 3.44Å; L510-K514 PolarHBondContact O-N 2.94Å; L510-W524 HydrophobicContact CD2-CH2 3.63Å; L510-W524 HydrophobicContact CD2-CZ3 3.79Å; L510-L561 HydrophobicContact CD1-CD2 3.85Å; L510-M564 HydrophobicContact CB-CE 4.32Å; L510-F565 HydrophobicContact CD1-CE2 3.9Å; L510-F565 HydrophobicContact CD1-CZ 3.8Å; L510-F565 HydrophobicContact CD2-CE1 4.1Å; L510-F565 HydrophobicContact CD2-CZ 3.93Å; L510-F572 HydrophobicContact CD2-CD2 4.09Å; L510-F572 HydrophobicContact CD2-CE2 3.75Å; L510-F572 HydrophobicContact CD2-CZ 4.18Å
511	C	97.4	Very high	96.5	Very high	12 Å²	12	43.8 Å²	43.8	8%	0.081	19%	0.193	C	C	.	.	H	α-helix	trans	-63.1	-41.6	174.3	-67.4	0	0	0	0	111.4	H507 K508 L509 K515 D672 F674	H507-C511 PolarHBondContact O-N 3.11Å; H507-C511 PolarHBondContact O-SG 2.81Å; K508-C511 WeakPolarHBondContact O-CB 3.39Å; K508-C511 PolarHBondContact O-N 3.19Å; K508-C511 VanDerWaalsContact O-N 3.08Å; L509-C511 VanDerWaalsContact C-N 3.34Å; L509-C511 PolarHBondContact O-N 3.29Å; C511-K515 WeakPolarHBondContact O-CB 3.14Å; C511-K515 PolarHBondContact O-N 3.24Å; C511-D672 PolarHBondContact SG-O 3.01Å; C511-F674 HydrophobicContact CB-CD1 4.25Å; C511-F674 HydrophobicContact CB-CE1 3.94Å
512	Y	97.4	Very high	96.4	Very high	29 Å²	29	44.2 Å²	44.2	11%	0.114	20%	0.195	C	C	.	.	H	α-helix	trans	-63.4	-47.4	174.2	-173.2	-92.3	0	0	0	111.6	D439 A440 H443 K508 L509 L510 K514 K515 C516 I518	D439-Y512 HydrophobicContact CB-CD1 3.85Å; D439-Y512 HydrophobicContact CB-CD2 3.39Å; D439-Y512 HydrophobicContact CB-CE1 3.88Å; D439-Y512 HydrophobicContact CB-CE2 3.41Å; D439-Y512 VanDerWaalsContact CB-CE2 3.41Å; D439-Y512 HydrophobicContact CB-CG 3.62Å; D439-Y512 WeakPolarHBondContact OD2-CD2 3.42Å; A440-Y512 WeakPolarHBondContact CA-OH 3.47Å; A440-Y512 WeakPolarHBondContact CB-OH 3.46Å; A440-Y512 PolarHBondContact N-OH 3.33Å; H443-Y512 HydrophobicContact CB-CE1 4.29Å; H443-Y512 AromaticContact CE1-CD1 3.69Å; H443-Y512 AromaticContact ND1-CD1 3.57Å; H443-Y512 AromaticContact ND1-CE1 3.85Å; K508-Y512 PolarHBondContact O-N 3.13Å; L509-Y512 PolarHBondContact O-N 2.95Å; L510-Y512 VanDerWaalsContact C-N 3.34Å; Y512-K514 VanDerWaalsContact C-N 3.34Å; Y512-K514 PolarHBondContact O-N 2.97Å; Y512-K515 PolarHBondContact O-N 3.03Å; Y512-K515 VanDerWaalsContact O-N 3.13Å; Y512-C516 HydrophobicContact CE1-CB 4.29Å; Y512-C516 PolarHBondContact O-N 2.8Å; Y512-I518 HydrophobicContact CD1-CD1 4.02Å; Y512-I518 HydrophobicContact CE1-CD1 3.58Å
513	Q	96.4	Very high	96.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-58.2	-44.4	177.3	-69.3	171.1	11.8	0	0	112.2	H443 L509 L510 R517 I518 F572	H443-Q513 VanDerWaalsContact NE2-CG 3.28Å; H443-Q513 WeakPolarHBondContact NE2-CG 3.49Å; H443-Q513 PolarHBondContact NE2-NE2 3.39Å; H443-Q513 VanDerWaalsContact NE2-NE2 3.12Å; L509-Q513 VanDerWaalsContact O-CG 3.31Å; L509-Q513 WeakPolarHBondContact O-CG 3.32Å; L509-Q513 PolarHBondContact O-N 3.39Å; L510-Q513 PolarHBondContact O-N 2.9Å; Q513-R517 CarbonylContact O-C 3.44Å; Q513-R517 WeakPolarHBondContact O-CA 3.22Å; Q513-R517 PolarHBondContact O-N 2.94Å; Q513-I518 HydrophobicContact CG-CB 4.47Å; Q513-I518 PolarHBondContact O-N 3.45Å; Q513-F572 HydrophobicContact CB-CB 3.73Å; Q513-F572 HydrophobicContact CB-CG 4.3Å
514	K	95.9	Very high	95.9	Very high	43 Å²	43	47.6 Å²	47.6	19%	0.187	22%	0.215	C	C	.	.	H	α-helix	trans	-59.1	-50.5	172.8	174.2	-174.7	178.1	-86	0	111.5	L510 Y512 C516 R517 M564 Y568 F572 D672	L510-K514 WeakPolarHBondContact O-CB 3.44Å; L510-K514 PolarHBondContact O-N 2.94Å; Y512-K514 VanDerWaalsContact C-N 3.34Å; Y512-K514 PolarHBondContact O-N 2.97Å; K514-C516 VanDerWaalsContact C-N 3.32Å; K514-C516 PolarHBondContact O-N 3.14Å; K514-R517 PolarHBondContact O-N 3.45Å; K514-M564 HydrophobicContact CD-CE 4.26Å; K514-Y568 HydrophobicContact CD-CD1 4.28Å; K514-Y568 HydrophobicContact CD-CD2 3.59Å; K514-Y568 HydrophobicContact CD-CE2 4.05Å; K514-Y568 HydrophobicContact CD-CG 3.71Å; K514-Y568 VanDerWaalsContact CE-CD1 3.44Å; K514-Y568 VanDerWaalsContact CE-CE2 3.48Å; K514-Y568 HydrophobicContact CG-CG 4.49Å; K514-F572 HydrophobicContact CB-CD1 4.05Å; K514-F572 HydrophobicContact CB-CE1 4.46Å; K514-D672 HydrophobicContact CD-CB 3.87Å; K514-D672 IonicContact NZ-OD2 3.87Å; K514-D672 PolarHBondContact NZ-OD2 3.37Å
515	K	96	Very high	95.8	Very high	141 Å²	141	47.9 Å²	47.9	61%	0.613	21%	0.214	S	C	*	.	H	α-helix	trans	-58.8	-44	-177	-179.9	-175.6	173.6	-171.1	0	111.4	C511 Y512	C511-K515 WeakPolarHBondContact O-CB 3.14Å; C511-K515 PolarHBondContact O-N 3.24Å; Y512-K515 PolarHBondContact O-N 3.03Å; Y512-K515 VanDerWaalsContact O-N 3.13Å
516	C	96.5	Very high	95.6	Very high	59 Å²	59	52.9 Å²	52.9	40%	0.399	24%	0.237	S	C	.	.	H	α-helix	trans	-93.5	-1.5	-177.3	-64.5	0	0	0	0	113.6	Y512 K514 I518	Y512-C516 HydrophobicContact CE1-CB 4.29Å; Y512-C516 PolarHBondContact O-N 2.8Å; K514-C516 VanDerWaalsContact C-N 3.32Å; K514-C516 PolarHBondContact O-N 3.14Å; C516-I518 VanDerWaalsContact C-N 3.27Å; C516-I518 HydrophobicContact CB-CD1 3.7Å; C516-I518 HydrophobicContact CB-CG1 3.66Å; C516-I518 PolarHBondContact O-N 2.94Å
517	R	95.9	Very high	95.5	Very high	193 Å²	193	52.9 Å²	52.9	73%	0.728	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	41.5	-175.3	-58.3	-177.7	175.5	-179.4	-2.6	113.4	Q513 K514 R519 T571	Q513-R517 CarbonylContact O-C 3.44Å; Q513-R517 WeakPolarHBondContact O-CA 3.22Å; Q513-R517 PolarHBondContact O-N 2.94Å; K514-R517 PolarHBondContact O-N 3.45Å; R517-R519 PolarHBondContact O-N 2.73Å; R517-T571 CarbonylContact C-O 3.6Å; R517-T571 WeakPolarHBondContact CA-O 3.48Å
518	I	95.1	Very high	95.5	Very high	40 Å²	40	52 Å²	52	21%	0.205	23%	0.233	C	C	.	.			trans	-83.2	115.9	-178.4	-59.5	175.5	0	0	0	108.6	H443 Y512 Q513 C516 L520 F572	H443-I518 HydrophobicContact CB-CD1 3.62Å; H443-I518 HydrophobicContact CB-CG2 4.43Å; Y512-I518 HydrophobicContact CD1-CD1 4.02Å; Y512-I518 HydrophobicContact CE1-CD1 3.58Å; Q513-I518 HydrophobicContact CG-CB 4.47Å; Q513-I518 PolarHBondContact O-N 3.45Å; C516-I518 VanDerWaalsContact C-N 3.27Å; C516-I518 HydrophobicContact CB-CD1 3.7Å; C516-I518 HydrophobicContact CB-CG1 3.66Å; C516-I518 PolarHBondContact O-N 2.94Å; I518-L520 PolarHBondContact O-N 3.32Å; I518-F572 VanDerWaalsContact O-CA 3.28Å; I518-F572 WeakPolarHBondContact O-CA 3.35Å; I518-F572 VanDerWaalsContact O-CB 3.31Å; I518-F572 WeakPolarHBondContact O-CB 3.32Å
519	R	94.1	Very high	95.5	Very high	152 Å²	152	53 Å²	53	57%	0.574	24%	0.241	S	C	*	.			trans	-89.8	86.7	178.3	-72.9	-172.6	176	165.3	-1.8	110.9	R517 H521 D570 F572	R517-R519 PolarHBondContact O-N 2.73Å; R519-H521 PolarHBondContact O-N 2.91Å; R519-D570 PolarHBondContact NH2-O 3.08Å; R519-D570 VanDerWaalsContact NH2-O 3.11Å; R519-F572 WeakPolarHBondContact CA-O 3.32Å
520	L	92.4	Very high	95.4	Very high	8 Å²	8	53.1 Å²	53.1	4%	0.042	24%	0.242	C	C	.	.			trans	-77.1	124.8	-174.4	-175	70.8	0	0	0	111.6	P473 V475 L479 I518 Y522 W524 F572	P473-L520 HydrophobicContact CG-CD1 4.46Å; V475-L520 HydrophobicContact CG1-CD1 3.68Å; V475-L520 HydrophobicContact CG1-CD2 3.7Å; V475-L520 HydrophobicContact CG1-CG 4.36Å; V475-L520 HydrophobicContact CG2-CD2 4.46Å; L479-L520 HydrophobicContact CD1-CD2 3.9Å; I518-L520 PolarHBondContact O-N 3.32Å; L520-Y522 PolarHBondContact O-N 3.45Å; L520-W524 HydrophobicContact CB-CZ2 4.12Å; L520-W524 HydrophobicContact CD2-CH2 4.46Å; L520-W524 HydrophobicContact CD2-CZ2 4.25Å; L520-W524 PolarHBondContact O-NE1 3.4Å; L520-W524 VanDerWaalsContact O-NE1 3.17Å; L520-F572 PolarHBondContact N-O 3.03Å
521	H	91.2	Very high	95.5	Very high	142 Å²	142	53.1 Å²	53.1	66%	0.657	24%	0.242	S	C	*	.			trans	-77	86.5	170.3	-71.8	-76.5	0	0	0	110.7	R519	R519-H521 PolarHBondContact O-N 2.91Å
522	Y	93.3	Very high	95.5	Very high	22 Å²	22	52.6 Å²	52.6	9%	0.086	24%	0.238	C	C	.	.			trans	-126.5	159.2	-177.4	-175.6	-108.4	0	0	0	112.5	C476 L479 D480 L520 W524 L527	C476-Y522 HydrophobicContact CB-CD2 4.12Å; C476-Y522 HydrophobicContact CB-CE2 4.38Å; L479-Y522 HydrophobicContact CB-CE1 4.21Å; L479-Y522 HydrophobicContact CB-CE2 3.96Å; L479-Y522 HydrophobicContact CD1-CD1 4.07Å; L479-Y522 HydrophobicContact CD1-CD2 4.23Å; L479-Y522 HydrophobicContact CD1-CE1 4.17Å; L479-Y522 HydrophobicContact CD1-CE2 4.32Å; L479-Y522 HydrophobicContact CD1-CG 4.11Å; D480-Y522 WeakPolarHBondContact OD1-CE2 3.41Å; D480-Y522 PolarHBondContact OD1-OH 3.5Å; L520-Y522 PolarHBondContact O-N 3.45Å; Y522-W524 AromaticContact CD1-CD2 3.85Å; Y522-W524 HydrophobicContact CD1-CD2 3.85Å; Y522-W524 AromaticContact CD1-CE3 3.77Å; Y522-W524 HydrophobicContact CD1-CE3 3.77Å; Y522-W524 HydrophobicContact CD1-CG 4.29Å; Y522-W524 HydrophobicContact CD1-CZ3 4.13Å; Y522-W524 HydrophobicContact CE1-CE3 4.48Å; Y522-W524 VanDerWaalsContact O-CD1 3.3Å; Y522-W524 PolarHBondContact O-N 3.04Å; Y522-L527 HydrophobicContact CE1-CB 4.24Å
523	T	91.4	Very high	95.5	Very high	67 Å²	67	54.1 Å²	54.1	41%	0.411	25%	0.249	S	C	.	.			trans	-77.2	60.7	173.6	50.5	0	0	0	0	111.6	R525 E526	T523-R525 PolarHBondContact O-N 3.26Å; T523-E526 WeakPolarHBondContact O-CB 3.21Å; T523-E526 PolarHBondContact O-N 3.19Å; T523-E526 PolarHBondContact OG1-OE2 2.98Å
524	W	95.6	Very high	95.6	Very high	6 Å²	6	54.1 Å²	54.1	2%	0.023	25%	0.249	C	C	.	.	H	α-helix	trans	-51.4	-33	-174.9	-67.1	112.7	0	0	0	114.6	L479 L510 L520 Y522 E526 L527 W528 F565 L573	L479-W524 HydrophobicContact CD1-CH2 4.32Å; L479-W524 HydrophobicContact CD1-CZ3 4.39Å; L510-W524 HydrophobicContact CD2-CH2 3.63Å; L510-W524 HydrophobicContact CD2-CZ3 3.79Å; L520-W524 HydrophobicContact CB-CZ2 4.12Å; L520-W524 HydrophobicContact CD2-CH2 4.46Å; L520-W524 HydrophobicContact CD2-CZ2 4.25Å; L520-W524 PolarHBondContact O-NE1 3.4Å; L520-W524 VanDerWaalsContact O-NE1 3.17Å; Y522-W524 AromaticContact CD1-CD2 3.85Å; Y522-W524 HydrophobicContact CD1-CD2 3.85Å; Y522-W524 AromaticContact CD1-CE3 3.77Å; Y522-W524 HydrophobicContact CD1-CE3 3.77Å; Y522-W524 HydrophobicContact CD1-CG 4.29Å; Y522-W524 HydrophobicContact CD1-CZ3 4.13Å; Y522-W524 HydrophobicContact CE1-CE3 4.48Å; Y522-W524 VanDerWaalsContact O-CD1 3.3Å; Y522-W524 PolarHBondContact O-N 3.04Å; W524-E526 VanDerWaalsContact C-N 3.3Å; W524-E526 PolarHBondContact O-N 2.51Å; W524-L527 HydrophobicContact CE3-CD2 3.87Å; W524-L527 HydrophobicContact CZ3-CD2 3.82Å; W524-L527 WeakPolarHBondContact O-CB 3.49Å; W524-L527 PolarHBondContact O-N 3.34Å; W524-L527 VanDerWaalsContact O-N 3.16Å; W524-W528 HydrophobicContact CB-CD2 4.42Å; W524-W528 HydrophobicContact CB-CH2 3.71Å; W524-W528 HydrophobicContact CB-CZ2 3.52Å; W524-W528 HydrophobicContact CB-CZ3 4.25Å; W524-W528 HydrophobicContact CG-CZ2 4.3Å; W524-W528 VanDerWaalsContact O-CD2 3.31Å; W524-W528 PolarHBondContact O-N 3.17Å; W524-F565 HydrophobicContact CD2-CE1 4.19Å; W524-F565 AromaticContact CE3-CE1 3.65Å; W524-F565 HydrophobicContact CE3-CE1 3.65Å; W524-F565 AromaticContact CE3-CZ 3.71Å; W524-F565 HydrophobicContact CE3-CZ 3.71Å; W524-F565 HydrophobicContact CH2-CE1 4.47Å; W524-F565 AromaticContact CZ3-CE1 3.84Å; W524-F565 HydrophobicContact CZ3-CE1 3.84Å; W524-F565 AromaticContact CZ3-CZ 3.74Å; W524-F565 HydrophobicContact CZ3-CZ 3.74Å; W524-L573 HydrophobicContact CD2-CD2 4.12Å; W524-L573 HydrophobicContact CG-CD2 3.99Å
525	R	94.8	Very high	95.7	Very high	64 Å²	64	52.1 Å²	52.1	24%	0.242	24%	0.24	C	C	.	.	H	α-helix	trans	-57.7	-39.4	175.1	-164.9	175.8	-158.7	165.1	8.6	113.5	T523 L527 W528 S529 E585 E649	T523-R525 PolarHBondContact O-N 3.26Å; R525-L527 VanDerWaalsContact C-N 3.33Å; R525-W528 HydrophobicContact CB-CE3 4.38Å; R525-W528 PolarHBondContact O-N 3.11Å; R525-S529 WeakPolarHBondContact O-CB 3.32Å; R525-S529 PolarHBondContact O-N 2.71Å; R525-S529 PolarHBondContact O-OG 3.16Å; R525-E585 IonicContact NE-OE2 2.99Å; R525-E585 IonicContact NH2-OE2 3.95Å; R525-E649 IonicContact CZ-OE1 3.24Å; R525-E649 IonicContact NH1-OE1 3.14Å; R525-E649 PolarHBondContact NH1-OE1 3.02Å; R525-E649 IonicContact NH1-OE2 3.13Å; R525-E649 IonicContact NH2-OE1 3.81Å; R525-E649 PolarHBondContact NH2-OE1 3.28Å; R525-E649 IonicContact NH2-OE2 3.36Å
526	E	94.3	Very high	95.7	Very high	105 Å²	105	50.4 Å²	50.4	49%	0.491	23%	0.232	S	C	.	.	H	α-helix	trans	-65	-40.3	178	-64.7	-177.2	152.8	0	0	110.9	T523 W524 A530	T523-E526 WeakPolarHBondContact O-CB 3.21Å; T523-E526 PolarHBondContact O-N 3.19Å; T523-E526 PolarHBondContact OG1-OE2 2.98Å; W524-E526 VanDerWaalsContact C-N 3.3Å; W524-E526 PolarHBondContact O-N 2.51Å; E526-A530 WeakPolarHBondContact O-CB 3.01Å; E526-A530 PolarHBondContact O-N 3.43Å
527	L	97.1	Very high	95.7	Very high	0 Å²	0	49 Å²	49	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63.6	-49.7	174.1	174.3	63.5	0	0	0	111.7	V483 I506 Y522 W524 R525 S529 A530 L531 F565	V483-L527 HydrophobicContact CG2-CB 4.04Å; V483-L527 HydrophobicContact CG2-CD1 3.68Å; V483-L527 HydrophobicContact CG2-CG 4.47Å; I506-L527 HydrophobicContact CD1-CD1 3.78Å; I506-L527 HydrophobicContact CG1-CD1 4.44Å; I506-L527 HydrophobicContact CG2-CD1 4.33Å; I506-L527 HydrophobicContact CG2-CD2 4.04Å; Y522-L527 HydrophobicContact CE1-CB 4.24Å; W524-L527 HydrophobicContact CE3-CD2 3.87Å; W524-L527 HydrophobicContact CZ3-CD2 3.82Å; W524-L527 WeakPolarHBondContact O-CB 3.49Å; W524-L527 PolarHBondContact O-N 3.34Å; W524-L527 VanDerWaalsContact O-N 3.16Å; R525-L527 VanDerWaalsContact C-N 3.33Å; L527-S529 VanDerWaalsContact C-N 3.34Å; L527-S529 PolarHBondContact O-N 3.42Å; L527-A530 WeakPolarHBondContact O-CB 3.47Å; L527-A530 PolarHBondContact O-N 3.22Å; L527-L531 HydrophobicContact CD1-CD1 4.12Å; L527-L531 HydrophobicContact CD1-CG 4.12Å; L527-L531 HydrophobicContact CG-CD1 4.12Å; L527-L531 WeakPolarHBondContact O-CG 3.37Å; L527-L531 PolarHBondContact O-N 3.46Å; L527-F565 HydrophobicContact CD2-CE2 4.47Å; L527-F565 HydrophobicContact CD2-CZ 4.02Å
528	W	98	Very high	95.7	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61	-43.4	179.3	-57.5	-34.2	0	0	0	111.8	W524 R525 A530 L531 I532 F562 F565 L573 S578 E581 L582 E585	W524-W528 HydrophobicContact CB-CD2 4.42Å; W524-W528 HydrophobicContact CB-CH2 3.71Å; W524-W528 HydrophobicContact CB-CZ2 3.52Å; W524-W528 HydrophobicContact CB-CZ3 4.25Å; W524-W528 HydrophobicContact CG-CZ2 4.3Å; W524-W528 VanDerWaalsContact O-CD2 3.31Å; W524-W528 PolarHBondContact O-N 3.17Å; R525-W528 HydrophobicContact CB-CE3 4.38Å; R525-W528 PolarHBondContact O-N 3.11Å; W528-A530 PolarHBondContact O-N 3.3Å; W528-L531 PolarHBondContact O-N 2.84Å; W528-I532 WeakPolarHBondContact O-CB 3.14Å; W528-I532 VanDerWaalsContact O-CG1 3.32Å; W528-I532 WeakPolarHBondContact O-CG1 3.45Å; W528-I532 PolarHBondContact O-N 3.33Å; W528-F562 HydrophobicContact CB-CE1 4.11Å; W528-F562 HydrophobicContact CB-CZ 4.16Å; W528-F562 HydrophobicContact CG-CE1 4.22Å; W528-F565 AromaticContact CD1-CE2 3.87Å; W528-F565 HydrophobicContact CZ2-CD1 4.19Å; W528-F565 HydrophobicContact CZ2-CE1 4.32Å; W528-F565 AromaticContact NE1-CD1 3.7Å; W528-F565 AromaticContact NE1-CD2 3.54Å; W528-F565 AromaticContact NE1-CE1 3.56Å; W528-F565 AromaticContact NE1-CE2 3.44Å; W528-F565 AromaticContact NE1-CG 3.71Å; W528-F565 AromaticContact NE1-CZ 3.46Å; W528-L573 HydrophobicContact CZ2-CD2 4.18Å; W528-S578 VanDerWaalsContact CH2-O 3.3Å; W528-S578 WeakPolarHBondContact CH2-O 3.49Å; W528-E581 HydrophobicContact CZ3-CB 4.02Å; W528-L582 HydrophobicContact CD2-CD1 3.87Å; W528-L582 HydrophobicContact CE3-CB 4.43Å; W528-L582 HydrophobicContact CE3-CD1 4.35Å; W528-L582 HydrophobicContact CG-CD1 4.22Å; W528-L582 HydrophobicContact CH2-CB 3.76Å; W528-L582 HydrophobicContact CZ2-CB 3.96Å; W528-L582 HydrophobicContact CZ2-CD1 3.99Å; W528-L582 HydrophobicContact CZ2-CG 4.47Å; W528-L582 HydrophobicContact CZ3-CB 4Å; W528-E585 HydrophobicContact CB-CG 4.42Å
529	S	96.9	Very high	95.7	Very high	30 Å²	30	39.7 Å²	39.7	21%	0.21	19%	0.185	C	C	.	.	H	α-helix	trans	-61.4	-41.3	174.8	-71.1	0	0	0	0	112.1	R525 L527 I532 N533 E585	R525-S529 WeakPolarHBondContact O-CB 3.32Å; R525-S529 PolarHBondContact O-N 2.71Å; R525-S529 PolarHBondContact O-OG 3.16Å; L527-S529 VanDerWaalsContact C-N 3.34Å; L527-S529 PolarHBondContact O-N 3.42Å; S529-I532 PolarHBondContact O-N 2.95Å; S529-N533 VanDerWaalsContact O-CB 3.31Å; S529-N533 WeakPolarHBondContact O-CB 2.75Å; S529-N533 PolarHBondContact O-N 3.18Å; S529-N533 PolarHBondContact O-ND2 2.97Å; S529-E585 PolarHBondContact OG-OE1 2.95Å
530	A	97.4	Very high	95.8	Very high	2 Å²	2	36.7 Å²	36.7	2%	0.017	19%	0.187	C	C	.	.	H	α-helix	trans	-62	-44.8	175.6	0	0	0	0	0	112.1	V483 I486 V487 E526 L527 W528 N533 L534	V483-A530 HydrophobicContact CG1-CB 4.06Å; I486-A530 HydrophobicContact CG2-CB 4.07Å; V487-A530 HydrophobicContact CG2-CB 3.68Å; E526-A530 WeakPolarHBondContact O-CB 3.01Å; E526-A530 PolarHBondContact O-N 3.43Å; L527-A530 WeakPolarHBondContact O-CB 3.47Å; L527-A530 PolarHBondContact O-N 3.22Å; W528-A530 PolarHBondContact O-N 3.3Å; A530-N533 PolarHBondContact O-N 3.11Å; A530-L534 PolarHBondContact O-N 3.44Å
531	L	98.4	Very high	95.8	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63.8	-42.5	177.1	-69.2	176.4	0	0	0	112.6	I486 V503 L527 W528 L534 L535 V558 L561 F562	I486-L531 HydrophobicContact CD1-CD2 4.34Å; V503-L531 HydrophobicContact CG2-CD2 4.44Å; L527-L531 HydrophobicContact CD1-CD1 4.12Å; L527-L531 HydrophobicContact CD1-CG 4.12Å; L527-L531 HydrophobicContact CG-CD1 4.12Å; L527-L531 WeakPolarHBondContact O-CG 3.37Å; L527-L531 PolarHBondContact O-N 3.46Å; W528-L531 PolarHBondContact O-N 2.84Å; L531-L534 WeakPolarHBondContact O-CB 3.26Å; L531-L534 PolarHBondContact O-N 3.41Å; L531-L535 PolarHBondContact O-N 3.41Å; L531-L535 VanDerWaalsContact O-N 3.11Å; L531-V558 HydrophobicContact CB-CG1 3.85Å; L531-V558 HydrophobicContact CD2-CG1 4.17Å; L531-V558 HydrophobicContact CD2-CG2 4.19Å; L531-V558 HydrophobicContact CG-CG1 4.46Å; L531-L561 HydrophobicContact CD1-CB 4.24Å; L531-L561 HydrophobicContact CD1-CD1 3.79Å; L531-L561 HydrophobicContact CD2-CD1 3.99Å; L531-F562 HydrophobicContact CB-CE2 3.88Å; L531-F562 HydrophobicContact CB-CZ 4.22Å; L531-F562 HydrophobicContact CD1-CE2 4.38Å
532	I	98.3	Very high	95.8	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-65.4	-42.1	175.9	-70.7	161.6	0	0	0	110.7	W528 S529 L534 L535 K536 F562 E585 M589 V592 F593	W528-I532 WeakPolarHBondContact O-CB 3.14Å; W528-I532 VanDerWaalsContact O-CG1 3.32Å; W528-I532 WeakPolarHBondContact O-CG1 3.45Å; W528-I532 PolarHBondContact O-N 3.33Å; S529-I532 PolarHBondContact O-N 2.95Å; I532-L534 VanDerWaalsContact C-N 3.29Å; I532-L534 PolarHBondContact O-N 2.87Å; I532-L535 PolarHBondContact O-N 2.76Å; I532-K536 WeakPolarHBondContact O-CB 3.37Å; I532-K536 PolarHBondContact O-N 2.88Å; I532-F562 HydrophobicContact CD1-CE1 4.42Å; I532-F562 HydrophobicContact CD1-CZ 3.93Å; I532-F562 HydrophobicContact CG1-CE2 4.11Å; I532-F562 HydrophobicContact CG1-CZ 3.64Å; I532-E585 HydrophobicContact CD1-CG 3.74Å; I532-M589 HydrophobicContact CD1-CB 4.19Å; I532-M589 HydrophobicContact CD1-CG 4.26Å; I532-M589 HydrophobicContact CG2-CB 3.88Å; I532-M589 HydrophobicContact CG2-CE 3.69Å; I532-M589 HydrophobicContact CG2-CG 4.05Å; I532-V592 HydrophobicContact CG2-CB 4.37Å; I532-V592 HydrophobicContact CG2-CG1 4.33Å; I532-V592 HydrophobicContact CG2-CG2 4.11Å; I532-F593 HydrophobicContact CD1-CE2 4.42Å; I532-F593 HydrophobicContact CD1-CZ 4.43Å; I532-F593 HydrophobicContact CG1-CE2 4.26Å; I532-F593 HydrophobicContact CG1-CZ 3.96Å
533	N	97	Very high	95.6	Very high	62 Å²	62	38.3 Å²	38.3	33%	0.332	21%	0.205	S	C	.	.	H	α-helix	trans	-63.7	-36.5	177	-76	-33.4	0	0	0	111.9	M490 S529 A530 K536 F537	M490-N533 HydrophobicContact CE-CB 4.44Å; S529-N533 VanDerWaalsContact O-CB 3.31Å; S529-N533 WeakPolarHBondContact O-CB 2.75Å; S529-N533 PolarHBondContact O-N 3.18Å; S529-N533 PolarHBondContact O-ND2 2.97Å; A530-N533 PolarHBondContact O-N 3.11Å; N533-K536 WeakPolarHBondContact O-CB 3.08Å; N533-K536 PolarHBondContact O-N 3.28Å; N533-F537 WeakPolarHBondContact O-CB 3.37Å; N533-F537 PolarHBondContact O-N 3.13Å
534	L	97.4	Very high	95.6	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.5	-48.5	172	180	57.1	0	0	0	111.3	I486 F494 Y499 V503 A530 L531 I532 K536 F537 L538 L554 V558	I486-L534 HydrophobicContact CG2-CB 4.09Å; I486-L534 HydrophobicContact CG2-CD2 4.25Å; F494-L534 HydrophobicContact CE2-CD1 4.19Å; F494-L534 HydrophobicContact CZ-CD1 4.06Å; Y499-L534 HydrophobicContact CD1-CD1 3.71Å; Y499-L534 HydrophobicContact CD1-CD2 3.82Å; Y499-L534 HydrophobicContact CD1-CG 4.43Å; Y499-L534 HydrophobicContact CE1-CD1 3.56Å; Y499-L534 HydrophobicContact CE1-CD2 4.25Å; V503-L534 HydrophobicContact CG2-CD2 4.36Å; A530-L534 PolarHBondContact O-N 3.44Å; L531-L534 WeakPolarHBondContact O-CB 3.26Å; L531-L534 PolarHBondContact O-N 3.41Å; I532-L534 VanDerWaalsContact C-N 3.29Å; I532-L534 PolarHBondContact O-N 2.87Å; L534-K536 VanDerWaalsContact C-N 3.32Å; L534-K536 PolarHBondContact O-N 2.87Å; L534-F537 WeakPolarHBondContact O-CB 3.48Å; L534-F537 PolarHBondContact O-N 3Å; L534-L538 WeakPolarHBondContact O-CG 3.45Å; L534-L538 PolarHBondContact O-N 2.96Å; L534-L554 HydrophobicContact CD1-CD2 4.38Å; L534-L554 HydrophobicContact CD2-CD1 4.35Å; L534-L554 HydrophobicContact CD2-CD2 4.28Å; L534-L554 HydrophobicContact CD2-CG 4.4Å; L534-V558 HydrophobicContact CD2-CG2 4.02Å
535	L	97.9	Very high	95.4	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-58.8	-43.7	174.9	-67.4	179.7	0	0	0	111.9	L531 I532 F537 L538 L539 A555 V558 V592 F593 L596	L531-L535 PolarHBondContact O-N 3.41Å; L531-L535 VanDerWaalsContact O-N 3.11Å; I532-L535 PolarHBondContact O-N 2.76Å; L535-F537 VanDerWaalsContact C-N 3.3Å; L535-F537 PolarHBondContact O-N 3.16Å; L535-L538 PolarHBondContact O-N 3.36Å; L535-L539 WeakPolarHBondContact O-CG 3.32Å; L535-L539 PolarHBondContact O-N 2.89Å; L535-A555 HydrophobicContact CD2-CB 3.93Å; L535-V558 HydrophobicContact CD1-CG1 3.86Å; L535-V558 HydrophobicContact CD2-CB 4.02Å; L535-V558 HydrophobicContact CD2-CG1 3.99Å; L535-V558 HydrophobicContact CG-CB 4.36Å; L535-V558 HydrophobicContact CG-CG1 3.77Å; L535-V592 HydrophobicContact CB-CG1 3.87Å; L535-F593 HydrophobicContact CD1-CD1 4.34Å; L535-F593 HydrophobicContact CD1-CE1 3.85Å; L535-L596 HydrophobicContact CD1-CD2 4.04Å; L535-L596 HydrophobicContact CD2-CD2 4.05Å
536	K	97.1	Very high	95.2	Very high	105 Å²	105	37.7 Å²	37.7	46%	0.457	21%	0.208	S	C	.	.	H	α-helix	trans	-60.4	-39.6	176.8	-173.5	178.1	179.9	178.1	0	112.1	I532 N533 L534 L539 S540 V592	I532-K536 WeakPolarHBondContact O-CB 3.37Å; I532-K536 PolarHBondContact O-N 2.88Å; N533-K536 WeakPolarHBondContact O-CB 3.08Å; N533-K536 PolarHBondContact O-N 3.28Å; L534-K536 VanDerWaalsContact C-N 3.32Å; L534-K536 PolarHBondContact O-N 2.87Å; K536-L539 PolarHBondContact O-N 2.94Å; K536-S540 WeakPolarHBondContact O-CB 3.31Å; K536-S540 PolarHBondContact O-N 3.49Å; K536-S540 PolarHBondContact O-OG 2.88Å; K536-V592 HydrophobicContact CB-CG1 4.25Å; K536-V592 HydrophobicContact CB-CG2 4.29Å; K536-V592 HydrophobicContact CG-CG2 4.48Å
537	F	96.4	Very high	94.9	Very high	30 Å²	30	36.9 Å²	36.9	13%	0.132	22%	0.219	C	C	.	.	H	α-helix	trans	-65.3	-44.8	175.4	176.4	-93.3	0	0	0	111.9	M490 M491 F494 N533 L534 L535 L539 S540 N541 L545	M490-F537 HydrophobicContact CB-CD2 3.72Å; M490-F537 HydrophobicContact CB-CE2 3.92Å; M490-F537 HydrophobicContact CB-CG 4.06Å; M490-F537 HydrophobicContact CB-CZ 4.44Å; M490-F537 HydrophobicContact CG-CB 4.23Å; M490-F537 HydrophobicContact CG-CD1 4.43Å; M490-F537 HydrophobicContact CG-CD2 4.18Å; M490-F537 HydrophobicContact CG-CG 4.02Å; M490-F537 HydrophobicContact SD-CB 3.67Å; M490-F537 HydrophobicContact SD-CD2 4.33Å; M490-F537 HydrophobicContact SD-CG 4.08Å; M491-F537 WeakPolarHBondContact O-CZ 3.39Å; F494-F537 HydrophobicContact CD2-CD1 4.23Å; F494-F537 AromaticContact CD2-CE1 3.48Å; F494-F537 HydrophobicContact CD2-CE1 3.48Å; F494-F537 VanDerWaalsContact CD2-CE1 3.48Å; F494-F537 HydrophobicContact CD2-CZ 4.23Å; F494-F537 HydrophobicContact CE2-CD1 4.04Å; F494-F537 AromaticContact CE2-CE1 3.77Å; F494-F537 HydrophobicContact CE2-CE1 3.77Å; F494-F537 HydrophobicContact CG-CE1 4.2Å; N533-F537 WeakPolarHBondContact O-CB 3.37Å; N533-F537 PolarHBondContact O-N 3.13Å; L534-F537 WeakPolarHBondContact O-CB 3.48Å; L534-F537 PolarHBondContact O-N 3Å; L535-F537 VanDerWaalsContact C-N 3.3Å; L535-F537 PolarHBondContact O-N 3.16Å; F537-L539 VanDerWaalsContact C-N 3.3Å; F537-L539 PolarHBondContact O-N 3.3Å; F537-S540 PolarHBondContact O-N 3.45Å; F537-N541 WeakPolarHBondContact CD2-ND2 3.41Å; F537-N541 VanDerWaalsContact CE2-ND2 3.29Å; F537-N541 WeakPolarHBondContact CE2-ND2 3.47Å; F537-N541 PolarHBondContact O-N 3.24Å; F537-N541 VanDerWaalsContact O-N 3.11Å; F537-N541 PolarHBondContact O-ND2 3.23Å; F537-L545 HydrophobicContact CD1-CD1 4.44Å; F537-L545 HydrophobicContact CE1-CD1 4.02Å
538	L	95.5	Very high	94.5	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.016	25%	0.247	C	C	.	.	H	α-helix	trans	-58.8	-42.4	176.2	-64.4	-179.4	0	0	0	111.5	F494 L534 L535 N541 E542 L545 I551 L554 A555	F494-L538 HydrophobicContact CE1-CD2 4.15Å; F494-L538 HydrophobicContact CZ-CD2 4.03Å; L534-L538 WeakPolarHBondContact O-CG 3.45Å; L534-L538 PolarHBondContact O-N 2.96Å; L535-L538 PolarHBondContact O-N 3.36Å; L538-N541 CarbonylContact O-C 3.59Å; L538-N541 PolarHBondContact O-N 3.42Å; L538-E542 WeakPolarHBondContact O-CA 3.48Å; L538-E542 PolarHBondContact O-N 2.86Å; L538-E542 VanDerWaalsContact O-N 3.07Å; L538-L545 HydrophobicContact CD2-CD1 3.78Å; L538-I551 HydrophobicContact CD1-CB 4.48Å; L538-I551 HydrophobicContact CD2-CB 4.22Å; L538-I551 HydrophobicContact CD2-CG2 4.19Å; L538-L554 HydrophobicContact CD1-CD2 4.2Å; L538-L554 HydrophobicContact CD1-CG 4.34Å; L538-L554 HydrophobicContact CD2-CD2 4.36Å; L538-A555 HydrophobicContact CD1-CB 4.36Å
539	L	95.5	Very high	94.1	Very high	34 Å²	34	45.9 Å²	45.9	18%	0.178	26%	0.258	C	S	.	.	H	α-helix	trans	-64.6	-45	176.7	-68.7	166.5	0	0	0	112.3	L535 K536 F537 N541 E542 V592 N595 L596 M599	L535-L539 WeakPolarHBondContact O-CG 3.32Å; L535-L539 PolarHBondContact O-N 2.89Å; K536-L539 PolarHBondContact O-N 2.94Å; F537-L539 VanDerWaalsContact C-N 3.3Å; F537-L539 PolarHBondContact O-N 3.3Å; L539-N541 PolarHBondContact O-N 2.99Å; L539-E542 PolarHBondContact O-N 3.02Å; L539-V592 HydrophobicContact CD1-CG1 3.95Å; L539-V592 WeakPolarHBondContact CD1-O 3.43Å; L539-N595 HydrophobicContact CD1-CB 4.06Å; L539-L596 HydrophobicContact CD1-CB 4.31Å; L539-L596 HydrophobicContact CD2-CB 4.23Å; L539-L596 HydrophobicContact CD2-CD1 4.29Å; L539-M599 HydrophobicContact CD2-CB 4.18Å; L539-M599 HydrophobicContact CD2-CE 3.56Å; L539-M599 HydrophobicContact CD2-SD 3.73Å
540	S	95.3	Very high	93.9	Very high	89 Å²	89	46.4 Å²	46.4	62%	0.622	26%	0.259	S	S	*	.	H	α-helix	trans	-67.2	-23.4	-177.2	-55.5	0	0	0	0	112.7	K536 F537	K536-S540 WeakPolarHBondContact O-CB 3.31Å; K536-S540 PolarHBondContact O-N 3.49Å; K536-S540 PolarHBondContact O-OG 2.88Å; F537-S540 PolarHBondContact O-N 3.45Å
541	N	93.4	Very high	93.8	Very high	55 Å²	55	46.3 Å²	46.3	29%	0.294	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	19.5	-176.8	-61.9	-84.1	0	0	0	112.9	F537 L538 L539 T543 T544 L545	F537-N541 WeakPolarHBondContact CD2-ND2 3.41Å; F537-N541 VanDerWaalsContact CE2-ND2 3.29Å; F537-N541 WeakPolarHBondContact CE2-ND2 3.47Å; F537-N541 PolarHBondContact O-N 3.24Å; F537-N541 VanDerWaalsContact O-N 3.11Å; F537-N541 PolarHBondContact O-ND2 3.23Å; L538-N541 CarbonylContact O-C 3.59Å; L538-N541 PolarHBondContact O-N 3.42Å; L539-N541 PolarHBondContact O-N 2.99Å; N541-T543 VanDerWaalsContact C-N 3.33Å; N541-T543 PolarHBondContact O-N 3.22Å; N541-T544 PolarHBondContact O-N 2.88Å; N541-T544 VanDerWaalsContact O-N 3.12Å; N541-L545 HydrophobicContact CB-CD1 3.8Å; N541-L545 HydrophobicContact CB-CG 3.99Å; N541-L545 WeakPolarHBondContact O-CG 3.22Å; N541-L545 PolarHBondContact O-N 2.93Å
542	E	90.9	Very high	93.7	Very high	33 Å²	33	46.3 Å²	46.3	15%	0.154	26%	0.258	C	S	.	.	H	α-helix	trans	-46.5	-53.5	-173	176.8	-172.2	179.2	0	0	112.4	L538 L539 T544 L545 L546 M599 R602	L538-E542 WeakPolarHBondContact O-CA 3.48Å; L538-E542 PolarHBondContact O-N 2.86Å; L538-E542 VanDerWaalsContact O-N 3.07Å; L539-E542 PolarHBondContact O-N 3.02Å; E542-T544 VanDerWaalsContact C-N 3.3Å; E542-T544 PolarHBondContact O-N 3.25Å; E542-L545 PolarHBondContact O-N 2.56Å; E542-L546 HydrophobicContact CG-CD1 3.46Å; E542-L546 VanDerWaalsContact CG-CD1 3.46Å; E542-L546 HydrophobicContact CG-CG 4.08Å; E542-L546 VanDerWaalsContact O-CB 3.28Å; E542-L546 WeakPolarHBondContact O-CB 3.43Å; E542-L546 WeakPolarHBondContact O-CG 3.45Å; E542-L546 PolarHBondContact O-N 3.14Å; E542-M599 HydrophobicContact CB-SD 4.02Å; E542-M599 HydrophobicContact CG-CG 4.42Å; E542-M599 HydrophobicContact CG-SD 3.55Å; E542-M599 VanDerWaalsContact CG-SD 3.55Å; E542-M599 WeakPolarHBondContact OE1-CG 3.25Å; E542-R602 IonicContact OE1-CZ 3.95Å; E542-R602 IonicContact OE1-NH2 2.71Å; E542-R602 PolarHBondContact OE1-NH2 3.03Å; E542-R602 IonicContact OE2-CZ 3.67Å; E542-R602 IonicContact OE2-NH2 3.01Å; E542-R602 PolarHBondContact OE2-NH2 2.92Å
543	T	88.8	Confident	93.5	Very high	117 Å²	117	49.8 Å²	49.8	72%	0.718	27%	0.274	S	S	*	.	H	α-helix	trans	-61.2	-37.7	-173.9	51.4	0	0	0	0	112.9	N541	N541-T543 VanDerWaalsContact C-N 3.33Å; N541-T543 PolarHBondContact O-N 3.22Å
544	T	91.4	Very high	93.6	Very high	83 Å²	83	46.8 Å²	46.8	51%	0.509	26%	0.258	S	S	.	.	H	α-helix	trans	-79	-41.8	-178.4	-58.1	0	0	0	0	110.9	N541 E542	N541-T544 PolarHBondContact O-N 2.88Å; N541-T544 VanDerWaalsContact O-N 3.12Å; E542-T544 VanDerWaalsContact C-N 3.3Å; E542-T544 PolarHBondContact O-N 3.25Å
545	L	91.7	Very high	93.6	Very high	7 Å²	7	46.9 Å²	46.9	4%	0.037	26%	0.259	C	S	.	.	H	α-helix	trans	-75.7	-38.6	-175.8	-64.9	174.9	0	0	0	112.4	F494 F537 L538 N541 E542 A547 K548 H549 I551	F494-L545 HydrophobicContact CB-CD2 3.63Å; F494-L545 HydrophobicContact CD1-CD2 4.1Å; F494-L545 HydrophobicContact CG-CD2 4.01Å; F537-L545 HydrophobicContact CD1-CD1 4.44Å; F537-L545 HydrophobicContact CE1-CD1 4.02Å; L538-L545 HydrophobicContact CD2-CD1 3.78Å; N541-L545 HydrophobicContact CB-CD1 3.8Å; N541-L545 HydrophobicContact CB-CG 3.99Å; N541-L545 WeakPolarHBondContact O-CG 3.22Å; N541-L545 PolarHBondContact O-N 2.93Å; E542-L545 PolarHBondContact O-N 2.56Å; L545-A547 PolarHBondContact O-N 3.35Å; L545-K548 PolarHBondContact O-N 2.62Å; L545-H549 PolarHBondContact O-N 3.35Å; L545-I551 HydrophobicContact CB-CG2 3.54Å; L545-I551 HydrophobicContact CD1-CG2 4.28Å
546	L	90.1	Very high	93.6	Very high	35 Å²	35	48.2 Å²	48.2	18%	0.183	27%	0.266	C	S	.	.	H	α-helix	trans	-63.8	-23.3	178.8	-77.6	-179.4	0	0	0	113.8	E542 K548 I551 F552 W610	E542-L546 HydrophobicContact CG-CD1 3.46Å; E542-L546 VanDerWaalsContact CG-CD1 3.46Å; E542-L546 HydrophobicContact CG-CG 4.08Å; E542-L546 VanDerWaalsContact O-CB 3.28Å; E542-L546 WeakPolarHBondContact O-CB 3.43Å; E542-L546 WeakPolarHBondContact O-CG 3.45Å; E542-L546 PolarHBondContact O-N 3.14Å; L546-K548 PolarHBondContact O-N 3.39Å; L546-I551 HydrophobicContact CD2-CD1 3.68Å; L546-I551 HydrophobicContact CD2-CG1 3.58Å; L546-I551 HydrophobicContact CG-CD1 3.76Å; L546-I551 HydrophobicContact CG-CG1 4.23Å; L546-F552 HydrophobicContact CD1-CE2 4.5Å; L546-F552 HydrophobicContact CD1-CZ 4.26Å; L546-F552 HydrophobicContact CD2-CD2 4.17Å; L546-F552 HydrophobicContact CD2-CE2 3.41Å; L546-F552 VanDerWaalsContact CD2-CE2 3.41Å; L546-F552 HydrophobicContact CD2-CZ 3.81Å; L546-W610 PolarHBondContact O-NE1 3.05Å
547	A	88.4	Confident	93.6	Very high	88 Å²	88	44.5 Å²	44.5	73%	0.727	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-24	174.2	0	0	0	0	0	112.7	L545	L545-A547 PolarHBondContact O-N 3.35Å
548	K	89.5	Confident	93.7	Very high	135 Å²	135	43 Å²	43	59%	0.587	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.5	-32.3	-174.4	-63	-174.9	179.3	-175.3	0	113.9	L545 L546	L545-K548 PolarHBondContact O-N 2.62Å; L546-K548 PolarHBondContact O-N 3.39Å
549	H	89.8	Confident	93.8	Very high	53 Å²	53	42.9 Å²	42.9	25%	0.245	24%	0.244	C	C	.	.	S	Bend	trans	-138.9	153.2	-166.2	-54.8	-61.5	0	0	0	113.2	M496 L545 I551	M496-H549 HydrophobicContact CB-CB 4.42Å; M496-H549 HydrophobicContact CG-CB 4.03Å; M496-H549 HydrophobicContact SD-CB 4.2Å; L545-H549 PolarHBondContact O-N 3.35Å; H549-I551 VanDerWaalsContact C-N 3.35Å; H549-I551 HydrophobicContact CB-CG2 4.5Å; H549-I551 PolarHBondContact O-N 3.13Å; H549-I551 VanDerWaalsContact O-N 3.08Å
550	N	91.7	Very high	93.9	Very high	41 Å²	41	43.3 Å²	43.3	22%	0.219	25%	0.246	C	C	.	.			trans	-79.9	77.8	167.1	-171.1	-3.9	0	0	0	111.3	M496 F552 H553 W610	M496-N550 WeakPolarHBondContact CE-O 3.43Å; N550-F552 PolarHBondContact O-N 3.35Å; N550-F552 VanDerWaalsContact O-N 3.11Å; N550-F552 WeakPolarHBondContact OD1-CB 3.43Å; N550-F552 PolarHBondContact OD1-N 3.31Å; N550-H553 HydrophobicContact CB-CB 4.48Å; N550-H553 PolarHBondContact O-N 2.85Å; N550-H553 VanDerWaalsContact O-N 3.13Å; N550-H553 PolarHBondContact OD1-N 3.41Å; N550-W610 HydrophobicContact CB-CD2 4.28Å; N550-W610 HydrophobicContact CB-CE3 3.68Å; N550-W610 HydrophobicContact CB-CH2 3.69Å; N550-W610 HydrophobicContact CB-CZ2 4.26Å; N550-W610 HydrophobicContact CB-CZ3 3.38Å; N550-W610 VanDerWaalsContact CG-CE3 3.42Å
551	I	94.4	Very high	94	Very high	1 Å²	1	39 Å²	39	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-60.9	-22.9	-179.9	69.9	-178.2	0	0	0	113.1	L538 L545 L546 H549 H553 L554 A555 M599	L538-I551 HydrophobicContact CD1-CB 4.48Å; L538-I551 HydrophobicContact CD2-CB 4.22Å; L538-I551 HydrophobicContact CD2-CG2 4.19Å; L545-I551 HydrophobicContact CB-CG2 3.54Å; L545-I551 HydrophobicContact CD1-CG2 4.28Å; L546-I551 HydrophobicContact CD2-CD1 3.68Å; L546-I551 HydrophobicContact CD2-CG1 3.58Å; L546-I551 HydrophobicContact CG-CD1 3.76Å; L546-I551 HydrophobicContact CG-CG1 4.23Å; H549-I551 VanDerWaalsContact C-N 3.35Å; H549-I551 HydrophobicContact CB-CG2 4.5Å; H549-I551 PolarHBondContact O-N 3.13Å; H549-I551 VanDerWaalsContact O-N 3.08Å; I551-H553 VanDerWaalsContact C-N 3.3Å; I551-H553 PolarHBondContact O-N 3.34Å; I551-L554 PolarHBondContact O-N 3.03Å; I551-A555 WeakPolarHBondContact O-CB 3.49Å; I551-A555 PolarHBondContact O-N 2.8Å; I551-M599 HydrophobicContact CD1-CE 4.31Å
552	F	96.5	Very high	94.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-69	-28.9	179.1	-55	-68.6	0	0	0	112.6	L546 N550 L556 M599 V600 V603 W610 A613 A614 V617	L546-F552 HydrophobicContact CD1-CE2 4.5Å; L546-F552 HydrophobicContact CD1-CZ 4.26Å; L546-F552 HydrophobicContact CD2-CD2 4.17Å; L546-F552 HydrophobicContact CD2-CE2 3.41Å; L546-F552 VanDerWaalsContact CD2-CE2 3.41Å; L546-F552 HydrophobicContact CD2-CZ 3.81Å; N550-F552 PolarHBondContact O-N 3.35Å; N550-F552 VanDerWaalsContact O-N 3.11Å; N550-F552 WeakPolarHBondContact OD1-CB 3.43Å; N550-F552 PolarHBondContact OD1-N 3.31Å; F552-L556 VanDerWaalsContact O-CB 3.25Å; F552-L556 WeakPolarHBondContact O-CB 3.43Å; F552-L556 PolarHBondContact O-N 3.08Å; F552-M599 HydrophobicContact CE1-CE 3.9Å; F552-M599 HydrophobicContact CE1-CG 4.42Å; F552-V600 HydrophobicContact CD1-CG1 3.74Å; F552-V600 HydrophobicContact CE1-CG1 3.81Å; F552-V603 HydrophobicContact CE2-CG1 3.85Å; F552-V603 HydrophobicContact CZ-CB 3.97Å; F552-V603 HydrophobicContact CZ-CG1 3.82Å; F552-V603 HydrophobicContact CZ-CG2 3.89Å; F552-W610 HydrophobicContact CD2-CB 3.68Å; F552-W610 HydrophobicContact CD2-CG 4.27Å; F552-W610 HydrophobicContact CE2-CB 3.59Å; F552-W610 HydrophobicContact CE2-CG 4.17Å; F552-A613 HydrophobicContact CB-CB 3.91Å; F552-A614 HydrophobicContact CD1-CB 4.11Å; F552-A614 HydrophobicContact CD2-CB 4.3Å; F552-A614 HydrophobicContact CE1-CB 4.18Å; F552-A614 HydrophobicContact CE2-CB 4.37Å; F552-A614 HydrophobicContact CG-CB 4.17Å; F552-A614 HydrophobicContact CZ-CB 4.32Å; F552-V617 HydrophobicContact CB-CG2 4.07Å; F552-V617 VanDerWaalsContact O-CG2 3.27Å; F552-V617 WeakPolarHBondContact O-CG2 3.5Å
553	H	95.8	Very high	94.6	Very high	73 Å²	73	34.9 Å²	34.9	34%	0.338	20%	0.195	S	C	.	.	H	α-helix	trans	-64.6	-45.3	174	-177.6	47.6	0	0	0	111.2	L500 N550 I551 L556 L557	L500-H553 WeakPolarHBondContact CD2-CD2 3.4Å; N550-H553 HydrophobicContact CB-CB 4.48Å; N550-H553 PolarHBondContact O-N 2.85Å; N550-H553 VanDerWaalsContact O-N 3.13Å; N550-H553 PolarHBondContact OD1-N 3.41Å; I551-H553 VanDerWaalsContact C-N 3.3Å; I551-H553 PolarHBondContact O-N 3.34Å; H553-L556 WeakPolarHBondContact O-CB 3.37Å; H553-L556 PolarHBondContact O-N 2.95Å; H553-L557 WeakPolarHBondContact O-CG 3.33Å; H553-L557 PolarHBondContact O-N 3.39Å
554	L	97.1	Very high	95	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-65.8	-44.5	175.4	179	60.8	0	0	0	111.4	F494 M496 Y499 L500 V503 L534 L538 I551 L556 L557 V558	F494-L554 HydrophobicContact CE1-CD2 3.98Å; F494-L554 HydrophobicContact CZ-CD2 3.79Å; M496-L554 HydrophobicContact CE-CB 3.51Å; M496-L554 HydrophobicContact CE-CD2 4.38Å; M496-L554 HydrophobicContact SD-CB 4.19Å; M496-L554 HydrophobicContact SD-CD2 3.96Å; Y499-L554 HydrophobicContact CG-CD2 4.39Å; L500-L554 HydrophobicContact CD2-CB 3.87Å; L500-L554 HydrophobicContact CD2-CD1 4Å; V503-L554 HydrophobicContact CB-CD1 4.45Å; V503-L554 HydrophobicContact CG2-CD1 3.9Å; L534-L554 HydrophobicContact CD1-CD2 4.38Å; L534-L554 HydrophobicContact CD2-CD1 4.35Å; L534-L554 HydrophobicContact CD2-CD2 4.28Å; L534-L554 HydrophobicContact CD2-CG 4.4Å; L538-L554 HydrophobicContact CD1-CD2 4.2Å; L538-L554 HydrophobicContact CD1-CG 4.34Å; L538-L554 HydrophobicContact CD2-CD2 4.36Å; I551-L554 PolarHBondContact O-N 3.03Å; L554-L556 VanDerWaalsContact C-N 3.28Å; L554-L556 PolarHBondContact O-N 2.66Å; L554-L557 PolarHBondContact O-N 3.2Å; L554-V558 WeakPolarHBondContact O-CG2 3.44Å; L554-V558 PolarHBondContact O-N 2.63Å
555	A	97.9	Very high	95.2	Very high	2 Å²	2	25.3 Å²	25.3	2%	0.017	14%	0.137	C	C	.	.	H	α-helix	trans	-59.2	-39.3	176.2	0	0	0	0	0	112.1	L535 L538 I551 V558 V559 L596 V617	L535-A555 HydrophobicContact CD2-CB 3.93Å; L538-A555 HydrophobicContact CD1-CB 4.36Å; I551-A555 WeakPolarHBondContact O-CB 3.49Å; I551-A555 PolarHBondContact O-N 2.8Å; A555-V558 PolarHBondContact O-N 3.06Å; A555-V559 WeakPolarHBondContact O-CB 3.23Å; A555-V559 VanDerWaalsContact O-CG2 3.29Å; A555-V559 WeakPolarHBondContact O-CG2 3.34Å; A555-V559 PolarHBondContact O-N 3.48Å; A555-L596 HydrophobicContact CB-CD1 4.38Å; A555-V617 HydrophobicContact CB-CG2 4.49Å
556	L	97.7	Very high	95.4	Very high	28 Å²	28	25.5 Å²	25.5	15%	0.147	14%	0.137	C	C	.	.	H	α-helix	trans	-60.9	-46	175.6	-178.2	61.2	0	0	0	111.6	F552 H553 L554 V558 V559 N560 K616 V617 A620	F552-L556 VanDerWaalsContact O-CB 3.25Å; F552-L556 WeakPolarHBondContact O-CB 3.43Å; F552-L556 PolarHBondContact O-N 3.08Å; H553-L556 WeakPolarHBondContact O-CB 3.37Å; H553-L556 PolarHBondContact O-N 2.95Å; L554-L556 VanDerWaalsContact C-N 3.28Å; L554-L556 PolarHBondContact O-N 2.66Å; L556-V558 VanDerWaalsContact C-N 3.33Å; L556-V558 PolarHBondContact O-N 3.46Å; L556-V559 PolarHBondContact O-N 3.32Å; L556-N560 WeakPolarHBondContact O-CB 3.35Å; L556-N560 VanDerWaalsContact O-CG 3.24Å; L556-N560 PolarHBondContact O-N 2.65Å; L556-K616 HydrophobicContact CD1-CB 4.31Å; L556-K616 HydrophobicContact CD2-CB 3.89Å; L556-K616 HydrophobicContact CD2-CD 4.28Å; L556-V617 HydrophobicContact CB-CG2 3.83Å; L556-V617 HydrophobicContact CD1-CG2 4.39Å; L556-A620 HydrophobicContact CD1-CB 3.64Å
557	L	97.4	Very high	95.7	Very high	27 Å²	27	25.3 Å²	25.3	14%	0.141	14%	0.138	C	C	.	.	H	α-helix	trans	-61	-43.8	177.8	-67	174.6	0	0	0	111.2	L500 V503 Q504 H553 L554 N560 L561	L500-L557 HydrophobicContact CD2-CD1 3.64Å; V503-L557 HydrophobicContact CG1-CB 3.61Å; Q504-L557 HydrophobicContact CG-CD1 4.04Å; H553-L557 WeakPolarHBondContact O-CG 3.33Å; H553-L557 PolarHBondContact O-N 3.39Å; L554-L557 PolarHBondContact O-N 3.2Å; L557-N560 PolarHBondContact O-N 3.03Å; L557-L561 WeakPolarHBondContact O-CG 3.38Å; L557-L561 PolarHBondContact O-N 3.02Å
558	V	98.4	Very high	96	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-63.2	-46	177.1	176.2	0	0	0	0	111.7	V503 L531 L534 L535 L554 A555 L556 N560 L561 F562	V503-V558 HydrophobicContact CG1-CG2 4.29Å; V503-V558 HydrophobicContact CG2-CG2 4.16Å; L531-V558 HydrophobicContact CB-CG1 3.85Å; L531-V558 HydrophobicContact CD2-CG1 4.17Å; L531-V558 HydrophobicContact CD2-CG2 4.19Å; L531-V558 HydrophobicContact CG-CG1 4.46Å; L534-V558 HydrophobicContact CD2-CG2 4.02Å; L535-V558 HydrophobicContact CD1-CG1 3.86Å; L535-V558 HydrophobicContact CD2-CB 4.02Å; L535-V558 HydrophobicContact CD2-CG1 3.99Å; L535-V558 HydrophobicContact CG-CB 4.36Å; L535-V558 HydrophobicContact CG-CG1 3.77Å; L554-V558 WeakPolarHBondContact O-CG2 3.44Å; L554-V558 PolarHBondContact O-N 2.63Å; A555-V558 PolarHBondContact O-N 3.06Å; L556-V558 VanDerWaalsContact C-N 3.33Å; L556-V558 PolarHBondContact O-N 3.46Å; V558-N560 VanDerWaalsContact C-N 3.3Å; V558-N560 PolarHBondContact O-N 3.13Å; V558-L561 WeakPolarHBondContact O-CB 3.49Å; V558-L561 PolarHBondContact O-N 2.99Å; V558-F562 HydrophobicContact CG1-CD2 4.29Å; V558-F562 HydrophobicContact CG1-CE2 4.14Å; V558-F562 WeakPolarHBondContact O-CD2 3.25Å; V558-F562 PolarHBondContact O-N 3.45Å
559	V	98.3	Very high	96.2	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.2	-38.2	177.4	170.7	0	0	0	0	111	A555 L556 L561 F562 N563 L596 V617 A620 L621 I624	A555-V559 WeakPolarHBondContact O-CB 3.23Å; A555-V559 VanDerWaalsContact O-CG2 3.29Å; A555-V559 WeakPolarHBondContact O-CG2 3.34Å; A555-V559 PolarHBondContact O-N 3.48Å; L556-V559 PolarHBondContact O-N 3.32Å; V559-L561 VanDerWaalsContact C-N 3.33Å; V559-L561 PolarHBondContact O-N 2.71Å; V559-F562 WeakPolarHBondContact O-CB 3.39Å; V559-F562 PolarHBondContact O-N 3.44Å; V559-N563 PolarHBondContact O-N 3.34Å; V559-N563 PolarHBondContact O-ND2 2.79Å; V559-L596 HydrophobicContact CG2-CD2 4.01Å; V559-V617 HydrophobicContact CG2-CG1 4.5Å; V559-A620 HydrophobicContact CB-CB 4.47Å; V559-A620 HydrophobicContact CG1-CB 3.63Å; V559-L621 HydrophobicContact CG1-CD2 4.06Å; V559-L621 HydrophobicContact CG1-CG 4.32Å; V559-L621 HydrophobicContact CG2-CD2 3.83Å; V559-L621 HydrophobicContact CG2-CG 4.41Å; V559-I624 HydrophobicContact CG1-CD1 3.98Å
560	N	97.6	Very high	96.2	Very high	42 Å²	42	18.4 Å²	18.4	23%	0.225	9%	0.094	C	C	.	.	H	α-helix	trans	-66.8	-32.6	175.9	-74.9	-7.8	0	0	0	112.6	L556 L557 V558 N563 M564 L671	L556-N560 WeakPolarHBondContact O-CB 3.35Å; L556-N560 VanDerWaalsContact O-CG 3.24Å; L556-N560 PolarHBondContact O-N 2.65Å; L557-N560 PolarHBondContact O-N 3.03Å; V558-N560 VanDerWaalsContact C-N 3.3Å; V558-N560 PolarHBondContact O-N 3.13Å; N560-N563 CarbonylContact O-C 3.58Å; N560-N563 PolarHBondContact O-N 2.71Å; N560-M564 WeakPolarHBondContact O-CG 3.41Å; N560-M564 PolarHBondContact O-N 3.12Å; N560-L671 HydrophobicContact CB-CD2 4.14Å
561	L	98	Very high	96.3	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-60.7	-46.1	169.5	-70.7	-172.9	0	0	0	111.2	V503 I506 H507 L510 L531 L557 V558 V559 N563 M564 F565	V503-L561 HydrophobicContact CG1-CD1 3.69Å; V503-L561 HydrophobicContact CG1-CG 4.2Å; I506-L561 HydrophobicContact CB-CD1 4.21Å; I506-L561 HydrophobicContact CG2-CD1 3.76Å; I506-L561 HydrophobicContact CG2-CD2 4.33Å; H507-L561 HydrophobicContact CB-CD2 3.63Å; L510-L561 HydrophobicContact CD1-CD2 3.85Å; L531-L561 HydrophobicContact CD1-CB 4.24Å; L531-L561 HydrophobicContact CD1-CD1 3.79Å; L531-L561 HydrophobicContact CD2-CD1 3.99Å; L557-L561 WeakPolarHBondContact O-CG 3.38Å; L557-L561 PolarHBondContact O-N 3.02Å; V558-L561 WeakPolarHBondContact O-CB 3.49Å; V558-L561 PolarHBondContact O-N 2.99Å; V559-L561 VanDerWaalsContact C-N 3.33Å; V559-L561 PolarHBondContact O-N 2.71Å; L561-N563 VanDerWaalsContact C-N 3.31Å; L561-N563 PolarHBondContact O-N 3.3Å; L561-M564 VanDerWaalsContact O-CB 3.32Å; L561-M564 WeakPolarHBondContact O-CB 3.33Å; L561-M564 PolarHBondContact O-N 3.19Å; L561-M564 VanDerWaalsContact O-N 3.13Å; L561-F565 WeakPolarHBondContact O-CD2 3.5Å; L561-F565 PolarHBondContact O-N 3.48Å; L561-F565 VanDerWaalsContact O-N 3.08Å
562	F	98.3	Very high	96.3	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-59.4	-43.1	173.8	-81.7	-74.8	0	0	0	111.9	W528 L531 I532 V558 V559 M564 F565 I566 L582 I586 F593 I624	W528-F562 HydrophobicContact CB-CE1 4.11Å; W528-F562 HydrophobicContact CB-CZ 4.16Å; W528-F562 HydrophobicContact CG-CE1 4.22Å; L531-F562 HydrophobicContact CB-CE2 3.88Å; L531-F562 HydrophobicContact CB-CZ 4.22Å; L531-F562 HydrophobicContact CD1-CE2 4.38Å; I532-F562 HydrophobicContact CD1-CE1 4.42Å; I532-F562 HydrophobicContact CD1-CZ 3.93Å; I532-F562 HydrophobicContact CG1-CE2 4.11Å; I532-F562 HydrophobicContact CG1-CZ 3.64Å; V558-F562 HydrophobicContact CG1-CD2 4.29Å; V558-F562 HydrophobicContact CG1-CE2 4.14Å; V558-F562 WeakPolarHBondContact O-CD2 3.25Å; V558-F562 PolarHBondContact O-N 3.45Å; V559-F562 WeakPolarHBondContact O-CB 3.39Å; V559-F562 PolarHBondContact O-N 3.44Å; F562-M564 VanDerWaalsContact C-N 3.3Å; F562-M564 PolarHBondContact O-N 3.26Å; F562-F565 PolarHBondContact O-N 3.35Å; F562-I566 WeakPolarHBondContact O-CD1 3.34Å; F562-I566 VanDerWaalsContact O-CG1 3.25Å; F562-I566 WeakPolarHBondContact O-CG1 3.4Å; F562-I566 PolarHBondContact O-N 2.98Å; F562-L582 HydrophobicContact CD1-CD1 4.02Å; F562-L582 HydrophobicContact CE1-CD1 4.13Å; F562-I586 HydrophobicContact CD1-CD1 4.23Å; F562-I586 HydrophobicContact CD1-CG1 4.22Å; F562-I586 HydrophobicContact CE1-CG1 4.37Å; F562-F593 HydrophobicContact CD2-CE1 4.35Å; F562-F593 HydrophobicContact CD2-CZ 4.34Å; F562-F593 HydrophobicContact CE2-CE1 4.48Å; F562-F593 HydrophobicContact CE2-CZ 4.17Å; F562-F593 HydrophobicContact CZ-CZ 4.33Å; F562-I624 HydrophobicContact CB-CD1 3.74Å; F562-I624 HydrophobicContact CB-CG1 4.5Å; F562-I624 HydrophobicContact CG-CD1 4.36Å
563	N	97.7	Very high	96.2	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-65.3	-31.2	176.2	-70.2	-39.2	0	0	0	112.8	V559 N560 L561 I566 T567 A620 Q668 L671	V559-N563 PolarHBondContact O-N 3.34Å; V559-N563 PolarHBondContact O-ND2 2.79Å; N560-N563 CarbonylContact O-C 3.58Å; N560-N563 PolarHBondContact O-N 2.71Å; L561-N563 VanDerWaalsContact C-N 3.31Å; L561-N563 PolarHBondContact O-N 3.3Å; N563-I566 PolarHBondContact O-N 2.96Å; N563-T567 WeakPolarHBondContact O-CB 3.36Å; N563-T567 PolarHBondContact O-N 3.09Å; N563-T567 PolarHBondContact O-OG1 2.96Å; N563-A620 PolarHBondContact ND2-O 2.84Å; N563-Q668 PolarHBondContact ND2-OE1 3.1Å; N563-L671 HydrophobicContact CB-CD1 3.74Å; N563-L671 HydrophobicContact CB-CD2 3.8Å; N563-L671 HydrophobicContact CB-CG 4.45Å
564	M	96.7	Very high	96	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-61.9	-46.6	170.6	-80.8	-76.4	-75.6	0	0	111.3	L510 K514 N560 L561 F562 Y568 L671 D672	L510-M564 HydrophobicContact CB-CE 4.32Å; K514-M564 HydrophobicContact CD-CE 4.26Å; N560-M564 WeakPolarHBondContact O-CG 3.41Å; N560-M564 PolarHBondContact O-N 3.12Å; L561-M564 VanDerWaalsContact O-CB 3.32Å; L561-M564 WeakPolarHBondContact O-CB 3.33Å; L561-M564 PolarHBondContact O-N 3.19Å; L561-M564 VanDerWaalsContact O-N 3.13Å; F562-M564 VanDerWaalsContact C-N 3.3Å; F562-M564 PolarHBondContact O-N 3.26Å; M564-Y568 HydrophobicContact CE-CD2 4.37Å; M564-Y568 WeakPolarHBondContact O-CB 3.14Å; M564-Y568 PolarHBondContact O-N 3.36Å; M564-Y568 HydrophobicContact SD-CD2 3.52Å; M564-Y568 VanDerWaalsContact SD-CD2 3.52Å; M564-Y568 HydrophobicContact SD-CE2 3.77Å; M564-L671 HydrophobicContact CG-CB 4.05Å; M564-L671 HydrophobicContact SD-CB 3.65Å; M564-D672 HydrophobicContact CE-CB 4.3Å; M564-D672 HydrophobicContact SD-CB 4.22Å
565	F	97.1	Very high	95.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-63.4	-44.1	175.4	-72.3	-75.7	0	0	0	112.3	L510 W524 L527 W528 L561 F562 G569 F572 L573 L582	L510-F565 HydrophobicContact CD1-CE2 3.9Å; L510-F565 HydrophobicContact CD1-CZ 3.8Å; L510-F565 HydrophobicContact CD2-CE1 4.1Å; L510-F565 HydrophobicContact CD2-CZ 3.93Å; W524-F565 HydrophobicContact CD2-CE1 4.19Å; W524-F565 AromaticContact CE3-CE1 3.65Å; W524-F565 HydrophobicContact CE3-CE1 3.65Å; W524-F565 AromaticContact CE3-CZ 3.71Å; W524-F565 HydrophobicContact CE3-CZ 3.71Å; W524-F565 HydrophobicContact CH2-CE1 4.47Å; W524-F565 AromaticContact CZ3-CE1 3.84Å; W524-F565 HydrophobicContact CZ3-CE1 3.84Å; W524-F565 AromaticContact CZ3-CZ 3.74Å; W524-F565 HydrophobicContact CZ3-CZ 3.74Å; L527-F565 HydrophobicContact CD2-CE2 4.47Å; L527-F565 HydrophobicContact CD2-CZ 4.02Å; W528-F565 AromaticContact CD1-CE2 3.87Å; W528-F565 HydrophobicContact CZ2-CD1 4.19Å; W528-F565 HydrophobicContact CZ2-CE1 4.32Å; W528-F565 AromaticContact NE1-CD1 3.7Å; W528-F565 AromaticContact NE1-CD2 3.54Å; W528-F565 AromaticContact NE1-CE1 3.56Å; W528-F565 AromaticContact NE1-CE2 3.44Å; W528-F565 AromaticContact NE1-CG 3.71Å; W528-F565 AromaticContact NE1-CZ 3.46Å; L561-F565 WeakPolarHBondContact O-CD2 3.5Å; L561-F565 PolarHBondContact O-N 3.48Å; L561-F565 VanDerWaalsContact O-N 3.08Å; F562-F565 PolarHBondContact O-N 3.35Å; F565-G569 VanDerWaalsContact O-CA 3.23Å; F565-G569 WeakPolarHBondContact O-CA 3.44Å; F565-G569 PolarHBondContact O-N 2.96Å; F565-F572 AromaticContact CD1-CE2 3.5Å; F565-F572 HydrophobicContact CD1-CE2 3.5Å; F565-F572 AromaticContact CD1-CZ 3.9Å; F565-F572 HydrophobicContact CD1-CZ 3.9Å; F565-F572 AromaticContact CE1-CE2 3.58Å; F565-F572 HydrophobicContact CE1-CE2 3.58Å; F565-F572 HydrophobicContact CE1-CZ 4.26Å; F565-F572 HydrophobicContact CG-CE2 4.45Å; F565-F572 HydrophobicContact CG-CZ 4.45Å; F565-L573 HydrophobicContact CD1-CD1 4.44Å; F565-L573 HydrophobicContact CD1-CD2 3.93Å; F565-L573 HydrophobicContact CD1-CG 4.39Å; F565-L573 HydrophobicContact CE1-CD2 4.01Å; F565-L582 HydrophobicContact CB-CD1 4.21Å; F565-L582 HydrophobicContact CB-CD2 3.63Å
566	I	96	Very high	95.3	Very high	10 Å²	10	23.2 Å²	23.2	5%	0.051	14%	0.135	C	C	.	.	H	α-helix	trans	-63.3	-45.4	179.7	-68.9	162	0	0	0	111	F562 N563 L582 Y583 I586 I624 I627 L665	F562-I566 WeakPolarHBondContact O-CD1 3.34Å; F562-I566 VanDerWaalsContact O-CG1 3.25Å; F562-I566 WeakPolarHBondContact O-CG1 3.4Å; F562-I566 PolarHBondContact O-N 2.98Å; N563-I566 PolarHBondContact O-N 2.96Å; I566-L582 HydrophobicContact CG1-CD2 4.3Å; I566-Y583 HydrophobicContact CG1-CE1 4.29Å; I566-I586 HydrophobicContact CD1-CD1 4.04Å; I566-I586 HydrophobicContact CG1-CD1 4.33Å; I566-I624 HydrophobicContact CD1-CG1 3.88Å; I566-I627 HydrophobicContact CD1-CD1 3.65Å; I566-I627 HydrophobicContact CG1-CD1 3.92Å; I566-I627 HydrophobicContact CG2-CD1 4.21Å; I566-L665 HydrophobicContact CG2-CD1 3.57Å
567	T	94.9	Very high	95	Very high	31 Å²	31	24.6 Å²	24.6	19%	0.19	14%	0.142	C	C	.	.	H	α-helix	trans	-85.8	-35.7	-170.4	-48.2	0	0	0	0	112.9	N563	N563-T567 WeakPolarHBondContact O-CB 3.36Å; N563-T567 PolarHBondContact O-N 3.09Å; N563-T567 PolarHBondContact O-OG1 2.96Å
568	Y	95	Very high	94.7	Very high	41 Å²	41	23.8 Å²	23.8	16%	0.161	14%	0.139	C	C	.	.	H	α-helix	trans	-126.9	5.9	-171	-52.5	-55.4	0	0	0	114.3	K514 M564 D570 T571 F572 L671	K514-Y568 HydrophobicContact CD-CD1 4.28Å; K514-Y568 HydrophobicContact CD-CD2 3.59Å; K514-Y568 HydrophobicContact CD-CE2 4.05Å; K514-Y568 HydrophobicContact CD-CG 3.71Å; K514-Y568 VanDerWaalsContact CE-CD1 3.44Å; K514-Y568 VanDerWaalsContact CE-CE2 3.48Å; K514-Y568 HydrophobicContact CG-CG 4.49Å; M564-Y568 HydrophobicContact CE-CD2 4.37Å; M564-Y568 WeakPolarHBondContact O-CB 3.14Å; M564-Y568 PolarHBondContact O-N 3.36Å; M564-Y568 HydrophobicContact SD-CD2 3.52Å; M564-Y568 VanDerWaalsContact SD-CD2 3.52Å; M564-Y568 HydrophobicContact SD-CE2 3.77Å; Y568-D570 PolarHBondContact O-N 3.2Å; Y568-T571 WeakPolarHBondContact O-CB 3.43Å; Y568-T571 PolarHBondContact O-N 3.47Å; Y568-T571 PolarHBondContact O-OG1 3.48Å; Y568-F572 WeakPolarHBondContact O-CD1 3.41Å; Y568-F572 WeakPolarHBondContact O-CE1 3.23Å; Y568-L671 HydrophobicContact CE2-CB 3.86Å; Y568-L671 HydrophobicContact CE2-CD1 4.31Å
569	G	93.3	Very high	94.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-55.2	-24.8	-177.7	0	0	0	0	0	114.3	F565 T571 F572 L573 Y579	F565-G569 VanDerWaalsContact O-CA 3.23Å; F565-G569 WeakPolarHBondContact O-CA 3.44Å; F565-G569 PolarHBondContact O-N 2.96Å; G569-T571 PolarHBondContact O-N 3.42Å; G569-F572 PolarHBondContact O-N 3.19Å; G569-L573 WeakPolarHBondContact O-CA 3.35Å; G569-L573 WeakPolarHBondContact O-CB 3.31Å; G569-L573 WeakPolarHBondContact O-CG 3.46Å; G569-L573 PolarHBondContact O-N 2.71Å; G569-Y579 WeakPolarHBondContact CA-OH 3.07Å; G569-Y579 PolarHBondContact N-OH 3.36Å
570	D	90.8	Very high	94.1	Very high	91 Å²	91	26.6 Å²	26.6	49%	0.487	15%	0.151	S	C	.	.	H	α-helix	trans	-66.2	-22.9	179.9	65.3	-49.1	0	0	0	112.1	R519 Y568 Y579	R519-D570 PolarHBondContact NH2-O 3.08Å; R519-D570 VanDerWaalsContact NH2-O 3.11Å; Y568-D570 PolarHBondContact O-N 3.2Å; D570-Y579 HydrophobicContact CB-CE2 4.06Å; D570-Y579 VanDerWaalsContact N-CE2 3.25Å; D570-Y579 VanDerWaalsContact N-CZ 3.33Å; D570-Y579 PolarHBondContact N-OH 3.44Å
571	T	93.4	Very high	93.9	Very high	26 Å²	26	27.1 Å²	27.1	16%	0.16	15%	0.152	C	C	.	.	H	α-helix	trans	-81.1	-28.2	177.7	70.3	0	0	0	0	113.6	R517 Y568 G569	R517-T571 CarbonylContact C-O 3.6Å; R517-T571 WeakPolarHBondContact CA-O 3.48Å; Y568-T571 WeakPolarHBondContact O-CB 3.43Å; Y568-T571 PolarHBondContact O-N 3.47Å; Y568-T571 PolarHBondContact O-OG1 3.48Å; G569-T571 PolarHBondContact O-N 3.42Å
572	F	94.3	Very high	93.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-137.9	-12.8	-171.3	62.1	-105.1	0	0	0	116.4	L510 Q513 K514 I518 R519 L520 F565 Y568 G569	L510-F572 HydrophobicContact CD2-CD2 4.09Å; L510-F572 HydrophobicContact CD2-CE2 3.75Å; L510-F572 HydrophobicContact CD2-CZ 4.18Å; Q513-F572 HydrophobicContact CB-CB 3.73Å; Q513-F572 HydrophobicContact CB-CG 4.3Å; K514-F572 HydrophobicContact CB-CD1 4.05Å; K514-F572 HydrophobicContact CB-CE1 4.46Å; I518-F572 VanDerWaalsContact O-CA 3.28Å; I518-F572 WeakPolarHBondContact O-CA 3.35Å; I518-F572 VanDerWaalsContact O-CB 3.31Å; I518-F572 WeakPolarHBondContact O-CB 3.32Å; R519-F572 WeakPolarHBondContact CA-O 3.32Å; L520-F572 PolarHBondContact N-O 3.03Å; F565-F572 AromaticContact CD1-CE2 3.5Å; F565-F572 HydrophobicContact CD1-CE2 3.5Å; F565-F572 AromaticContact CD1-CZ 3.9Å; F565-F572 HydrophobicContact CD1-CZ 3.9Å; F565-F572 AromaticContact CE1-CE2 3.58Å; F565-F572 HydrophobicContact CE1-CE2 3.58Å; F565-F572 HydrophobicContact CE1-CZ 4.26Å; F565-F572 HydrophobicContact CG-CE2 4.45Å; F565-F572 HydrophobicContact CG-CZ 4.45Å; Y568-F572 WeakPolarHBondContact O-CD1 3.41Å; Y568-F572 WeakPolarHBondContact O-CE1 3.23Å; G569-F572 PolarHBondContact O-N 3.19Å
573	L	94.8	Very high	93.7	Very high	4 Å²	4	27.6 Å²	27.6	2%	0.021	15%	0.154	C	C	.	.	S	Bend	trans	-73.8	144.5	169.5	-67.5	175.5	0	0	0	109.6	W524 W528 F565 G569 T575 Y579	W524-L573 HydrophobicContact CD2-CD2 4.12Å; W524-L573 HydrophobicContact CG-CD2 3.99Å; W528-L573 HydrophobicContact CZ2-CD2 4.18Å; F565-L573 HydrophobicContact CD1-CD1 4.44Å; F565-L573 HydrophobicContact CD1-CD2 3.93Å; F565-L573 HydrophobicContact CD1-CG 4.39Å; F565-L573 HydrophobicContact CE1-CD2 4.01Å; G569-L573 WeakPolarHBondContact O-CA 3.35Å; G569-L573 WeakPolarHBondContact O-CB 3.31Å; G569-L573 WeakPolarHBondContact O-CG 3.46Å; G569-L573 PolarHBondContact O-N 2.71Å; L573-T575 PolarHBondContact O-N 2.71Å; L573-Y579 HydrophobicContact CD1-CD2 3.98Å; L573-Y579 HydrophobicContact CD1-CE2 4.05Å; L573-Y579 HydrophobicContact CD1-CG 4.27Å
574	P	91.3	Very high	93.6	Very high	25 Å²	25	28.8 Å²	28.8	16%	0.162	16%	0.158	C	C	.	.	S	Bend	trans	-70.6	-33.3	-171.4	26	-33.5	0	0	0	113	S578	P574-S578 WeakPolarHBondContact CG-OG 3.36Å
575	T	92.2	Very high	93.5	Very high	68 Å²	68	28.9 Å²	28.9	42%	0.417	16%	0.159	S	C	.	.			trans	-147.3	163.7	-174.2	66.5	0	0	0	0	112.3	L573 N577 S578	L573-T575 PolarHBondContact O-N 2.71Å; T575-N577 PolarHBondContact O-N 3.18Å; T575-N577 PolarHBondContact OG1-N 3.25Å; T575-S578 VanDerWaalsContact O-CB 3.32Å; T575-S578 WeakPolarHBondContact O-CB 3.27Å; T575-S578 PolarHBondContact O-N 3.41Å; T575-S578 VanDerWaalsContact O-N 3.17Å; T575-S578 PolarHBondContact OG1-N 2.95Å; T575-S578 PolarHBondContact OG1-OG 2.78Å
576	S	88.3	Confident	93.5	Very high	95 Å²	95	28.9 Å²	28.9	66%	0.664	16%	0.159	S	C	*	.	H	α-helix	trans	-62.1	-31	169.2	51.9	0	0	0	0	112.6	S578 Y579 D580	S576-S578 PolarHBondContact O-N 3.18Å; S576-Y579 VanDerWaalsContact O-CB 3.27Å; S576-Y579 WeakPolarHBondContact O-CB 3.5Å; S576-Y579 PolarHBondContact O-N 3.06Å; S576-D580 PolarHBondContact O-N 3.26Å
577	N	90.8	Very high	93.5	Very high	57 Å²	57	28.6 Å²	28.6	31%	0.305	16%	0.158	S	C	.	.	H	α-helix	trans	-61.5	-31.1	174.8	-175.1	72.7	0	0	0	112	T575 Y579 D580 E581 R657	T575-N577 PolarHBondContact O-N 3.18Å; T575-N577 PolarHBondContact OG1-N 3.25Å; N577-Y579 PolarHBondContact O-N 3.35Å; N577-D580 WeakPolarHBondContact O-CB 3.18Å; N577-D580 PolarHBondContact O-N 3.19Å; N577-E581 PolarHBondContact ND2-OE1 2.7Å; N577-E581 WeakPolarHBondContact O-CG 3.44Å; N577-E581 PolarHBondContact O-N 2.77Å; N577-R657 PolarHBondContact OD1-NH2 2.91Å; N577-R657 VanDerWaalsContact OD1-NH2 3.13Å
578	S	92.7	Very high	93.5	Very high	10 Å²	10	32.7 Å²	32.7	7%	0.07	17%	0.169	C	C	.	.	H	α-helix	trans	-64.7	-28.8	174.2	-53.7	0	0	0	0	112.6	W528 P574 T575 S576 L582	W528-S578 VanDerWaalsContact CH2-O 3.3Å; W528-S578 WeakPolarHBondContact CH2-O 3.49Å; P574-S578 WeakPolarHBondContact CG-OG 3.36Å; T575-S578 VanDerWaalsContact O-CB 3.32Å; T575-S578 WeakPolarHBondContact O-CB 3.27Å; T575-S578 PolarHBondContact O-N 3.41Å; T575-S578 VanDerWaalsContact O-N 3.17Å; T575-S578 PolarHBondContact OG1-N 2.95Å; T575-S578 PolarHBondContact OG1-OG 2.78Å; S576-S578 PolarHBondContact O-N 3.18Å; S578-L582 WeakPolarHBondContact O-CB 3.45Å; S578-L582 PolarHBondContact O-N 3.42Å; S578-L582 VanDerWaalsContact O-N 3.09Å
579	Y	90.3	Very high	93.5	Very high	42 Å²	42	32.6 Å²	32.6	17%	0.165	17%	0.171	C	C	.	.	H	α-helix	trans	-71	-42	171.6	-95.1	-79.3	0	0	0	112.2	G569 D570 L573 S576 N577 E581 L582 Y583 Y660	G569-Y579 WeakPolarHBondContact CA-OH 3.07Å; G569-Y579 PolarHBondContact N-OH 3.36Å; D570-Y579 HydrophobicContact CB-CE2 4.06Å; D570-Y579 VanDerWaalsContact N-CE2 3.25Å; D570-Y579 VanDerWaalsContact N-CZ 3.33Å; D570-Y579 PolarHBondContact N-OH 3.44Å; L573-Y579 HydrophobicContact CD1-CD2 3.98Å; L573-Y579 HydrophobicContact CD1-CE2 4.05Å; L573-Y579 HydrophobicContact CD1-CG 4.27Å; S576-Y579 VanDerWaalsContact O-CB 3.27Å; S576-Y579 WeakPolarHBondContact O-CB 3.5Å; S576-Y579 PolarHBondContact O-N 3.06Å; N577-Y579 PolarHBondContact O-N 3.35Å; Y579-E581 VanDerWaalsContact C-N 3.3Å; Y579-E581 PolarHBondContact O-N 2.93Å; Y579-L582 WeakPolarHBondContact O-CB 3.36Å; Y579-L582 PolarHBondContact O-N 3.09Å; Y579-Y583 HydrophobicContact CD1-CE1 4.19Å; Y579-Y583 WeakPolarHBondContact O-CD1 3.3Å; Y579-Y583 PolarHBondContact O-N 3.48Å; Y579-Y660 PolarHBondContact O-OH 3.42Å
580	D	92.6	Very high	93.7	Very high	17 Å²	17	34.9 Å²	34.9	9%	0.091	18%	0.182	C	C	.	.	H	α-helix	trans	-59	-45.9	175.9	-54.3	-22.4	0	0	0	110	S576 N577 Y583 Y584 L653 R657 Y660	S576-D580 PolarHBondContact O-N 3.26Å; N577-D580 WeakPolarHBondContact O-CB 3.18Å; N577-D580 PolarHBondContact O-N 3.19Å; D580-Y583 PolarHBondContact O-N 3.02Å; D580-Y584 VanDerWaalsContact O-CB 3.27Å; D580-Y584 WeakPolarHBondContact O-CB 3.38Å; D580-Y584 PolarHBondContact O-N 3.24Å; D580-L653 HydrophobicContact CB-CD2 3.73Å; D580-L653 WeakPolarHBondContact O-CD2 3.47Å; D580-R657 WeakPolarHBondContact OD2-CG 3.43Å; D580-R657 IonicContact OD2-CZ 3.18Å; D580-R657 IonicContact OD2-NE 3.74Å; D580-R657 PolarHBondContact OD2-NE 3.44Å; D580-R657 IonicContact OD2-NH2 3.25Å; D580-Y660 WeakPolarHBondContact CA-OH 3.5Å; D580-Y660 PolarHBondContact N-OH 3.47Å; D580-Y660 VanDerWaalsContact OD1-CE2 3.31Å; D580-Y660 WeakPolarHBondContact OD1-CE2 3.34Å; D580-Y660 PolarHBondContact OD1-OH 2.83Å; D580-Y660 VanDerWaalsContact OD1-OH 3.12Å
581	E	94.1	Very high	94	Very high	52 Å²	52	36.8 Å²	36.8	24%	0.243	19%	0.188	C	C	.	.	H	α-helix	trans	-62.7	-41.2	177.3	-73	178.7	-166.3	0	0	113	W528 N577 Y579 E585	W528-E581 HydrophobicContact CZ3-CB 4.02Å; N577-E581 PolarHBondContact ND2-OE1 2.7Å; N577-E581 WeakPolarHBondContact O-CG 3.44Å; N577-E581 PolarHBondContact O-N 2.77Å; Y579-E581 VanDerWaalsContact C-N 3.3Å; Y579-E581 PolarHBondContact O-N 2.93Å; E581-E585 WeakPolarHBondContact O-CB 3.41Å; E581-E585 PolarHBondContact O-N 3.4Å
582	L	95.9	Very high	94.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59.2	-48.3	175.4	172.1	69.1	0	0	0	111	W528 F562 F565 I566 S578 Y579 E585 I586	W528-L582 HydrophobicContact CD2-CD1 3.87Å; W528-L582 HydrophobicContact CE3-CB 4.43Å; W528-L582 HydrophobicContact CE3-CD1 4.35Å; W528-L582 HydrophobicContact CG-CD1 4.22Å; W528-L582 HydrophobicContact CH2-CB 3.76Å; W528-L582 HydrophobicContact CZ2-CB 3.96Å; W528-L582 HydrophobicContact CZ2-CD1 3.99Å; W528-L582 HydrophobicContact CZ2-CG 4.47Å; W528-L582 HydrophobicContact CZ3-CB 4Å; F562-L582 HydrophobicContact CD1-CD1 4.02Å; F562-L582 HydrophobicContact CE1-CD1 4.13Å; F565-L582 HydrophobicContact CB-CD1 4.21Å; F565-L582 HydrophobicContact CB-CD2 3.63Å; I566-L582 HydrophobicContact CG1-CD2 4.3Å; S578-L582 WeakPolarHBondContact O-CB 3.45Å; S578-L582 PolarHBondContact O-N 3.42Å; S578-L582 VanDerWaalsContact O-N 3.09Å; Y579-L582 WeakPolarHBondContact O-CB 3.36Å; Y579-L582 PolarHBondContact O-N 3.09Å; L582-E585 PolarHBondContact O-N 3.19Å; L582-I586 HydrophobicContact CD1-CD1 4.19Å; L582-I586 HydrophobicContact CG-CD1 4.15Å; L582-I586 WeakPolarHBondContact O-CG1 3.5Å; L582-I586 PolarHBondContact O-N 3.36Å
583	Y	95.3	Very high	94.4	Very high	11 Å²	11	36.1 Å²	36.1	4%	0.043	18%	0.183	C	C	.	.	H	α-helix	trans	-70.9	-40.4	-175.7	-81.7	35.5	0	0	0	110.5	I566 Y579 D580 E585 I586 V587 I627 F631 Y660 L663	I566-Y583 HydrophobicContact CG1-CE1 4.29Å; Y579-Y583 HydrophobicContact CD1-CE1 4.19Å; Y579-Y583 WeakPolarHBondContact O-CD1 3.3Å; Y579-Y583 PolarHBondContact O-N 3.48Å; D580-Y583 PolarHBondContact O-N 3.02Å; Y583-E585 VanDerWaalsContact C-N 3.29Å; Y583-E585 PolarHBondContact O-N 3.46Å; Y583-I586 PolarHBondContact O-N 2.95Å; Y583-V587 WeakPolarHBondContact O-CB 3.33Å; Y583-V587 VanDerWaalsContact O-CG2 3.23Å; Y583-V587 WeakPolarHBondContact O-CG2 3.5Å; Y583-V587 PolarHBondContact O-N 2.72Å; Y583-I627 HydrophobicContact CD2-CG2 4.19Å; Y583-I627 HydrophobicContact CE1-CD1 4.05Å; Y583-I627 HydrophobicContact CE2-CD1 4.14Å; Y583-I627 HydrophobicContact CE2-CG1 4.25Å; Y583-I627 HydrophobicContact CG-CG2 4.43Å; Y583-F631 AromaticContact CD2-CE2 3.59Å; Y583-F631 HydrophobicContact CD2-CE2 3.59Å; Y583-F631 HydrophobicContact CD2-CZ 4.08Å; Y583-F631 HydrophobicContact CE2-CE2 4.11Å; Y583-Y660 HydrophobicContact CD2-CD1 4.48Å; Y583-Y660 AromaticContact CD2-CE1 3.55Å; Y583-Y660 HydrophobicContact CD2-CE1 3.55Å; Y583-Y660 HydrophobicContact CE2-CD1 4.19Å; Y583-Y660 AromaticContact CE2-CE1 3.5Å; Y583-Y660 HydrophobicContact CE2-CE1 3.5Å; Y583-Y660 VanDerWaalsContact CE2-CE1 3.5Å; Y583-Y660 HydrophobicContact CG-CE1 4.35Å; Y583-L663 HydrophobicContact CD2-CD2 4.43Å; Y583-L663 HydrophobicContact CE2-CD2 3.54Å
584	Y	95.3	Very high	94.5	Very high	25 Å²	25	38.1 Å²	38.1	10%	0.098	19%	0.194	C	C	.	.	H	α-helix	trans	-53.3	-47.7	168.9	170.5	-90.7	0	0	0	111.3	D580 V587 R588 E649 V652 L653	D580-Y584 VanDerWaalsContact O-CB 3.27Å; D580-Y584 WeakPolarHBondContact O-CB 3.38Å; D580-Y584 PolarHBondContact O-N 3.24Å; Y584-V587 PolarHBondContact O-N 2.92Å; Y584-R588 HydrophobicContact CE1-CB 4.3Å; Y584-R588 WeakPolarHBondContact O-CB 3.43Å; Y584-R588 PolarHBondContact O-N 2.99Å; Y584-R588 WeakPolarHBondContact OH-CD 3.37Å; Y584-E649 HydrophobicContact CD2-CG 4.38Å; Y584-E649 HydrophobicContact CE1-CG 4.1Å; Y584-E649 HydrophobicContact CE2-CB 4.14Å; Y584-E649 HydrophobicContact CE2-CG 3.84Å; Y584-V652 HydrophobicContact CD2-CB 3.81Å; Y584-V652 HydrophobicContact CD2-CG1 3.6Å; Y584-V652 HydrophobicContact CE2-CB 3.82Å; Y584-V652 HydrophobicContact CE2-CG1 3.95Å; Y584-V652 HydrophobicContact CE2-CG2 4.32Å; Y584-L653 HydrophobicContact CD2-CD2 4.43Å; Y584-L653 HydrophobicContact CD2-CG 4.27Å; Y584-L653 HydrophobicContact CG-CD2 4.2Å; Y584-L653 HydrophobicContact CG-CG 4.46Å
585	E	96	Very high	94.8	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-66.6	-41.3	-177.3	-168.4	62.4	-155.7	0	0	112.3	R525 W528 S529 I532 E581 L582 Y583 R588 M589	R525-E585 IonicContact NE-OE2 2.99Å; R525-E585 IonicContact NH2-OE2 3.95Å; W528-E585 HydrophobicContact CB-CG 4.42Å; S529-E585 PolarHBondContact OG-OE1 2.95Å; I532-E585 HydrophobicContact CD1-CG 3.74Å; E581-E585 WeakPolarHBondContact O-CB 3.41Å; E581-E585 PolarHBondContact O-N 3.4Å; L582-E585 PolarHBondContact O-N 3.19Å; Y583-E585 VanDerWaalsContact C-N 3.29Å; Y583-E585 PolarHBondContact O-N 3.46Å; E585-R588 IonicContact OE1-CZ 3.45Å; E585-R588 IonicContact OE1-NE 3.82Å; E585-R588 IonicContact OE1-NH2 2.63Å; E585-R588 PolarHBondContact OE1-NH2 2.9Å; E585-R588 IonicContact OE2-CZ 3.92Å; E585-R588 IonicContact OE2-NE 2.69Å; E585-R588 PolarHBondContact OE2-NE 3.31Å; E585-R588 IonicContact OE2-NH1 3.43Å; E585-R588 IonicContact OE2-NH2 2.68Å; E585-R588 PolarHBondContact OE2-NH2 3.47Å; E585-M589 WeakPolarHBondContact O-CB 3.32Å; E585-M589 PolarHBondContact O-N 2.92Å
586	I	96.8	Very high	95.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-59.4	-47.6	174.3	-71.1	168.9	0	0	0	110.8	F562 I566 L582 Y583 M589 H590 F593 I624 I627 I628	F562-I586 HydrophobicContact CD1-CD1 4.23Å; F562-I586 HydrophobicContact CD1-CG1 4.22Å; F562-I586 HydrophobicContact CE1-CG1 4.37Å; I566-I586 HydrophobicContact CD1-CD1 4.04Å; I566-I586 HydrophobicContact CG1-CD1 4.33Å; L582-I586 HydrophobicContact CD1-CD1 4.19Å; L582-I586 HydrophobicContact CG-CD1 4.15Å; L582-I586 WeakPolarHBondContact O-CG1 3.5Å; L582-I586 PolarHBondContact O-N 3.36Å; Y583-I586 PolarHBondContact O-N 2.95Å; I586-M589 CarbonylContact O-C 3.59Å; I586-M589 PolarHBondContact O-N 3.06Å; I586-H590 WeakPolarHBondContact O-CA 3.24Å; I586-H590 PolarHBondContact O-N 3.12Å; I586-F593 HydrophobicContact CG2-CE2 4.38Å; I586-I624 HydrophobicContact CG2-CG2 3.91Å; I586-I627 HydrophobicContact CD1-CD1 4.36Å; I586-I627 HydrophobicContact CG2-CG2 4.17Å; I586-I628 HydrophobicContact CG2-CD1 4.28Å; I586-I628 HydrophobicContact CG2-CG1 3.92Å
587	V	95.6	Very high	95.5	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.03	17%	0.169	C	C	.	.	H	α-helix	trans	-68.9	-44.5	-178.4	169.9	0	0	0	0	111.1	Y583 Y584 M589 H590 I627 F631 N632 I635	Y583-V587 WeakPolarHBondContact O-CB 3.33Å; Y583-V587 VanDerWaalsContact O-CG2 3.23Å; Y583-V587 WeakPolarHBondContact O-CG2 3.5Å; Y583-V587 PolarHBondContact O-N 2.72Å; Y584-V587 PolarHBondContact O-N 2.92Å; V587-M589 PolarHBondContact O-N 3.27Å; V587-H590 WeakPolarHBondContact O-CB 3.31Å; V587-H590 PolarHBondContact O-N 2.77Å; V587-H590 PolarHBondContact O-ND1 3.46Å; V587-I627 HydrophobicContact CG2-CG2 4.22Å; V587-F631 HydrophobicContact CG2-CB 3.83Å; V587-F631 HydrophobicContact CG2-CD2 4.28Å; V587-F631 HydrophobicContact CG2-CG 4.4Å; V587-N632 WeakPolarHBondContact CG1-OD1 3.42Å; V587-I635 HydrophobicContact CG1-CD1 3.42Å; V587-I635 VanDerWaalsContact CG1-CD1 3.42Å
588	R	94.2	Very high	95.8	Very high	116 Å²	116	37.3 Å²	37.3	44%	0.438	18%	0.18	S	C	.	.	H	α-helix	trans	-56	-41.3	175.8	-176.8	-179.8	79.7	159.9	5.4	111.5	Y584 E585	Y584-R588 HydrophobicContact CE1-CB 4.3Å; Y584-R588 WeakPolarHBondContact O-CB 3.43Å; Y584-R588 PolarHBondContact O-N 2.99Å; Y584-R588 WeakPolarHBondContact OH-CD 3.37Å; E585-R588 IonicContact OE1-CZ 3.45Å; E585-R588 IonicContact OE1-NE 3.82Å; E585-R588 IonicContact OE1-NH2 2.63Å; E585-R588 PolarHBondContact OE1-NH2 2.9Å; E585-R588 IonicContact OE2-CZ 3.92Å; E585-R588 IonicContact OE2-NE 2.69Å; E585-R588 PolarHBondContact OE2-NE 3.31Å; E585-R588 IonicContact OE2-NH1 3.43Å; E585-R588 IonicContact OE2-NH2 2.68Å; E585-R588 PolarHBondContact OE2-NH2 3.47Å
589	M	96.4	Very high	95.9	Very high	40 Å²	40	37.2 Å²	37.2	20%	0.197	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	20.8	-177	-60.8	-62.4	-70.8	0	0	113.4	I532 E585 I586 V587 Q591 V592	I532-M589 HydrophobicContact CD1-CB 4.19Å; I532-M589 HydrophobicContact CD1-CG 4.26Å; I532-M589 HydrophobicContact CG2-CB 3.88Å; I532-M589 HydrophobicContact CG2-CE 3.69Å; I532-M589 HydrophobicContact CG2-CG 4.05Å; E585-M589 WeakPolarHBondContact O-CB 3.32Å; E585-M589 PolarHBondContact O-N 2.92Å; I586-M589 CarbonylContact O-C 3.59Å; I586-M589 PolarHBondContact O-N 3.06Å; V587-M589 PolarHBondContact O-N 3.27Å; M589-Q591 PolarHBondContact O-N 3.16Å; M589-V592 HydrophobicContact CE-CG2 4.04Å; M589-V592 WeakPolarHBondContact O-CB 3.21Å; M589-V592 PolarHBondContact O-N 3.44Å
590	H	96.2	Very high	96.2	Very high	47 Å²	47	35.2 Å²	35.2	22%	0.218	17%	0.171	C	C	.	.	H	α-helix	trans	-51.7	-37.2	-173.7	66.2	-85.4	0	0	0	113.7	I586 V587 V592 F593 D594 I628	I586-H590 WeakPolarHBondContact O-CA 3.24Å; I586-H590 PolarHBondContact O-N 3.12Å; V587-H590 WeakPolarHBondContact O-CB 3.31Å; V587-H590 PolarHBondContact O-N 2.77Å; V587-H590 PolarHBondContact O-ND1 3.46Å; H590-V592 PolarHBondContact O-N 3.49Å; H590-V592 VanDerWaalsContact O-N 3.12Å; H590-F593 PolarHBondContact O-N 3.14Å; H590-D594 IonicContact CD2-OD2 2.65Å; H590-D594 PolarHBondContact CD2-OD2 2.93Å; H590-D594 PolarHBondContact O-N 2.69Å; H590-I628 HydrophobicContact CB-CB 4.43Å; H590-I628 HydrophobicContact CB-CD1 3.84Å; H590-I628 HydrophobicContact CB-CG1 3.87Å; H590-I628 HydrophobicContact CB-CG2 3.69Å
591	Q	97.3	Very high	96.2	Very high	131 Å²	131	37.6 Å²	37.6	61%	0.612	18%	0.183	S	C	*	.	H	α-helix	trans	-55.5	-33.3	179.2	-65.4	178.8	1.5	0	0	113	M589 N595	M589-Q591 PolarHBondContact O-N 3.16Å; Q591-N595 WeakPolarHBondContact O-CB 3.23Å; Q591-N595 PolarHBondContact O-N 2.9Å; Q591-N595 PolarHBondContact O-ND2 3.27Å
592	V	98	Very high	96.1	Very high	12 Å²	12	41 Å²	41	7%	0.073	19%	0.194	C	C	.	.	H	α-helix	trans	-66	-44.3	176.8	-179.7	0	0	0	0	110.1	I532 L535 K536 L539 M589 H590 L596	I532-V592 HydrophobicContact CG2-CB 4.37Å; I532-V592 HydrophobicContact CG2-CG1 4.33Å; I532-V592 HydrophobicContact CG2-CG2 4.11Å; L535-V592 HydrophobicContact CB-CG1 3.87Å; K536-V592 HydrophobicContact CB-CG1 4.25Å; K536-V592 HydrophobicContact CB-CG2 4.29Å; K536-V592 HydrophobicContact CG-CG2 4.48Å; L539-V592 HydrophobicContact CD1-CG1 3.95Å; L539-V592 WeakPolarHBondContact CD1-O 3.43Å; M589-V592 HydrophobicContact CE-CG2 4.04Å; M589-V592 WeakPolarHBondContact O-CB 3.21Å; M589-V592 PolarHBondContact O-N 3.44Å; H590-V592 PolarHBondContact O-N 3.49Å; H590-V592 VanDerWaalsContact O-N 3.12Å; V592-L596 VanDerWaalsContact O-CB 3.29Å; V592-L596 WeakPolarHBondContact O-CB 3.32Å; V592-L596 PolarHBondContact O-N 2.89Å
593	F	98.3	Very high	95.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-72.6	-36.7	179.8	-62.7	-73.8	0	0	0	112.7	I532 L535 F562 I586 H590 L596 Y597 L621 I624 I628	I532-F593 HydrophobicContact CD1-CE2 4.42Å; I532-F593 HydrophobicContact CD1-CZ 4.43Å; I532-F593 HydrophobicContact CG1-CE2 4.26Å; I532-F593 HydrophobicContact CG1-CZ 3.96Å; L535-F593 HydrophobicContact CD1-CD1 4.34Å; L535-F593 HydrophobicContact CD1-CE1 3.85Å; F562-F593 HydrophobicContact CD2-CE1 4.35Å; F562-F593 HydrophobicContact CD2-CZ 4.34Å; F562-F593 HydrophobicContact CE2-CE1 4.48Å; F562-F593 HydrophobicContact CE2-CZ 4.17Å; F562-F593 HydrophobicContact CZ-CZ 4.33Å; I586-F593 HydrophobicContact CG2-CE2 4.38Å; H590-F593 PolarHBondContact O-N 3.14Å; F593-L596 PolarHBondContact O-N 3.29Å; F593-Y597 WeakPolarHBondContact O-CB 3.35Å; F593-Y597 PolarHBondContact O-N 2.83Å; F593-L621 HydrophobicContact CD1-CD2 4.22Å; F593-I624 HydrophobicContact CB-CG2 4.03Å; F593-I624 HydrophobicContact CD1-CD1 4.17Å; F593-I624 HydrophobicContact CD1-CG2 3.72Å; F593-I624 HydrophobicContact CD2-CG2 4.09Å; F593-I624 HydrophobicContact CE1-CD1 3.92Å; F593-I624 HydrophobicContact CE1-CG2 4.15Å; F593-I624 HydrophobicContact CE2-CG2 4.48Å; F593-I624 HydrophobicContact CG-CG2 3.68Å; F593-I624 HydrophobicContact CZ-CG2 4.5Å; F593-I628 HydrophobicContact CB-CD1 3.78Å; F593-I628 HydrophobicContact CD2-CD1 4.23Å; F593-I628 HydrophobicContact CG-CD1 4.32Å
594	D	97.8	Very high	95.7	Very high	46 Å²	46	42.5 Å²	42.5	25%	0.246	21%	0.205	C	C	.	.	H	α-helix	trans	-66.4	-44.4	175	-71.2	-31.9	0	0	0	111.4	H590 L596 Y597 C598	H590-D594 IonicContact CD2-OD2 2.65Å; H590-D594 PolarHBondContact CD2-OD2 2.93Å; H590-D594 PolarHBondContact O-N 2.69Å; D594-L596 VanDerWaalsContact C-N 3.33Å; D594-L596 PolarHBondContact O-N 3.48Å; D594-Y597 WeakPolarHBondContact O-CB 3.33Å; D594-Y597 PolarHBondContact O-N 3.13Å; D594-C598 PolarHBondContact O-N 2.82Å; D594-C598 PolarHBondContact O-SG 3.27Å; D594-C598 VanDerWaalsContact O-SG 3.33Å
595	N	97.8	Very high	95.3	Very high	94 Å²	94	45.8 Å²	45.8	50%	0.503	23%	0.228	S	C	.	.	H	α-helix	trans	-64.2	-39.5	174.9	-71.8	-27.2	0	0	0	111.6	L539 Q591 C598 M599	L539-N595 HydrophobicContact CD1-CB 4.06Å; Q591-N595 WeakPolarHBondContact O-CB 3.23Å; Q591-N595 PolarHBondContact O-N 2.9Å; Q591-N595 PolarHBondContact O-ND2 3.27Å; N595-C598 PolarHBondContact O-N 3.07Å; N595-M599 WeakPolarHBondContact O-CB 3.44Å; N595-M599 PolarHBondContact O-N 2.74Å
596	L	97.8	Very high	94.7	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.016	25%	0.251	C	S	.	.	H	α-helix	trans	-60.3	-47.3	172.4	179.9	59.9	0	0	0	111.2	L535 L539 A555 V559 V592 F593 D594 C598 M599 V600 V617 L621	L535-L596 HydrophobicContact CD1-CD2 4.04Å; L535-L596 HydrophobicContact CD2-CD2 4.05Å; L539-L596 HydrophobicContact CD1-CB 4.31Å; L539-L596 HydrophobicContact CD2-CB 4.23Å; L539-L596 HydrophobicContact CD2-CD1 4.29Å; A555-L596 HydrophobicContact CB-CD1 4.38Å; V559-L596 HydrophobicContact CG2-CD2 4.01Å; V592-L596 VanDerWaalsContact O-CB 3.29Å; V592-L596 WeakPolarHBondContact O-CB 3.32Å; V592-L596 PolarHBondContact O-N 2.89Å; F593-L596 PolarHBondContact O-N 3.29Å; D594-L596 VanDerWaalsContact C-N 3.33Å; D594-L596 PolarHBondContact O-N 3.48Å; L596-C598 PolarHBondContact O-N 2.9Å; L596-M599 HydrophobicContact CD1-CE 3.58Å; L596-M599 PolarHBondContact O-N 3.19Å; L596-V600 HydrophobicContact CD1-CG1 3.93Å; L596-V600 HydrophobicContact CG-CG1 4.47Å; L596-V600 WeakPolarHBondContact O-CG1 3.47Å; L596-V600 WeakPolarHBondContact O-CG2 3.34Å; L596-V600 PolarHBondContact O-N 3.08Å; L596-V617 HydrophobicContact CD2-CG1 4.43Å; L596-V617 HydrophobicContact CG-CG1 4.48Å; L596-L621 HydrophobicContact CD2-CD1 4.34Å; L596-L621 HydrophobicContact CD2-CD2 4.22Å; L596-L621 HydrophobicContact CG-CD1 4.12Å
597	Y	97.5	Very high	93.5	Very high	52 Å²	52	57 Å²	57	20%	0.204	29%	0.293	C	S	.	.	H	α-helix	trans	-58	-46.7	176.6	-178.2	-102.5	0	0	0	111.9	F593 D594 M599 V600 L601 T618 L621 R625	F593-Y597 WeakPolarHBondContact O-CB 3.35Å; F593-Y597 PolarHBondContact O-N 2.83Å; D594-Y597 WeakPolarHBondContact O-CB 3.33Å; D594-Y597 PolarHBondContact O-N 3.13Å; Y597-M599 PolarHBondContact O-N 3.4Å; Y597-V600 WeakPolarHBondContact O-CG2 3.26Å; Y597-V600 PolarHBondContact O-N 3.28Å; Y597-L601 HydrophobicContact CE1-CD2 4.06Å; Y597-L601 WeakPolarHBondContact O-CB 3.44Å; Y597-L601 PolarHBondContact O-N 2.68Å; Y597-T618 HydrophobicContact CD2-CG2 4.4Å; Y597-T618 HydrophobicContact CE2-CG2 3.77Å; Y597-L621 HydrophobicContact CD2-CD1 4.18Å; Y597-R625 PolarHBondContact OH-NH1 3.18Å
598	C	96.2	Very high	92.7	Very high	79 Å²	79	59 Å²	59	53%	0.534	31%	0.314	S	S	.	.	H	α-helix	trans	-59.3	-44.8	176.1	-72.5	0	0	0	0	112.2	D594 N595 L596 R602	D594-C598 PolarHBondContact O-N 2.82Å; D594-C598 PolarHBondContact O-SG 3.27Å; D594-C598 VanDerWaalsContact O-SG 3.33Å; N595-C598 PolarHBondContact O-N 3.07Å; L596-C598 PolarHBondContact O-N 2.9Å; C598-R602 WeakPolarHBondContact O-CB 3.31Å; C598-R602 PolarHBondContact O-N 3.05Å
599	M	94.8	Very high	92.4	Very high	8 Å²	8	61.2 Å²	61.2	4%	0.039	33%	0.33	C	S	.	.	H	α-helix	trans	-62.2	-51.2	177.7	-179.2	179.1	71	0	0	111.6	L539 E542 I551 F552 N595 L596 Y597 L601 R602 V603	L539-M599 HydrophobicContact CD2-CB 4.18Å; L539-M599 HydrophobicContact CD2-CE 3.56Å; L539-M599 HydrophobicContact CD2-SD 3.73Å; E542-M599 HydrophobicContact CB-SD 4.02Å; E542-M599 HydrophobicContact CG-CG 4.42Å; E542-M599 HydrophobicContact CG-SD 3.55Å; E542-M599 VanDerWaalsContact CG-SD 3.55Å; E542-M599 WeakPolarHBondContact OE1-CG 3.25Å; I551-M599 HydrophobicContact CD1-CE 4.31Å; F552-M599 HydrophobicContact CE1-CE 3.9Å; F552-M599 HydrophobicContact CE1-CG 4.42Å; N595-M599 WeakPolarHBondContact O-CB 3.44Å; N595-M599 PolarHBondContact O-N 2.74Å; L596-M599 HydrophobicContact CD1-CE 3.58Å; L596-M599 PolarHBondContact O-N 3.19Å; Y597-M599 PolarHBondContact O-N 3.4Å; M599-L601 VanDerWaalsContact C-N 3.34Å; M599-L601 PolarHBondContact O-N 2.87Å; M599-R602 PolarHBondContact O-N 3.3Å; M599-V603 WeakPolarHBondContact O-CG2 3.45Å; M599-V603 PolarHBondContact O-N 3.22Å
600	V	95.6	Very high	92.1	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-68.9	-34.8	-177.2	-59.7	0	0	0	0	111.9	F552 L596 Y597 V603 S604 A614 V617 T618 L621	F552-V600 HydrophobicContact CD1-CG1 3.74Å; F552-V600 HydrophobicContact CE1-CG1 3.81Å; L596-V600 HydrophobicContact CD1-CG1 3.93Å; L596-V600 HydrophobicContact CG-CG1 4.47Å; L596-V600 WeakPolarHBondContact O-CG1 3.47Å; L596-V600 WeakPolarHBondContact O-CG2 3.34Å; L596-V600 PolarHBondContact O-N 3.08Å; Y597-V600 WeakPolarHBondContact O-CG2 3.26Å; Y597-V600 PolarHBondContact O-N 3.28Å; V600-V603 PolarHBondContact O-N 3.44Å; V600-S604 WeakPolarHBondContact O-CB 3.45Å; V600-S604 PolarHBondContact O-N 3.33Å; V600-S604 PolarHBondContact O-OG 3.19Å; V600-S604 VanDerWaalsContact O-OG 3.1Å; V600-A614 HydrophobicContact CB-CB 4.32Å; V600-V617 HydrophobicContact CB-CB 4.4Å; V600-V617 HydrophobicContact CG1-CB 3.89Å; V600-V617 HydrophobicContact CG1-CG1 3.79Å; V600-V617 HydrophobicContact CG2-CG1 4.46Å; V600-T618 VanDerWaalsContact CG2-OG1 3.29Å; V600-T618 WeakPolarHBondContact CG2-OG1 3.41Å; V600-L621 HydrophobicContact CG2-CD1 4.12Å
601	L	94	Very high	91.9	Very high	67 Å²	67	64.7 Å²	64.7	35%	0.351	34%	0.342	S	S	.	.	H	α-helix	trans	-61.9	-51.5	174.6	-175.2	63.1	0	0	0	110.1	Y597 M599 V603 S604 T605	Y597-L601 HydrophobicContact CE1-CD2 4.06Å; Y597-L601 WeakPolarHBondContact O-CB 3.44Å; Y597-L601 PolarHBondContact O-N 2.68Å; M599-L601 VanDerWaalsContact C-N 3.34Å; M599-L601 PolarHBondContact O-N 2.87Å; L601-V603 VanDerWaalsContact C-N 3.29Å; L601-V603 PolarHBondContact O-N 3.49Å; L601-S604 WeakPolarHBondContact CA-OG 3.4Å; L601-S604 PolarHBondContact O-N 3.5Å; L601-S604 VanDerWaalsContact O-N 3.17Å; L601-S604 PolarHBondContact O-OG 3.2Å; L601-T605 HydrophobicContact CD1-CG2 4.24Å; L601-T605 WeakPolarHBondContact O-CG2 3.41Å; L601-T605 PolarHBondContact O-N 3.46Å; L601-T605 PolarHBondContact O-OG1 3.47Å; L601-T605 VanDerWaalsContact O-OG1 3.08Å
602	R	92.6	Very high	91.6	Very high	124 Å²	124	65.9 Å²	65.9	47%	0.468	35%	0.347	S	S	.	.	H	α-helix	trans	-53.6	-44.9	176.7	-179.5	-179	67.7	-164.2	-2.2	112.2	E542 C598 M599 T605 N606	E542-R602 IonicContact OE1-CZ 3.95Å; E542-R602 IonicContact OE1-NH2 2.71Å; E542-R602 PolarHBondContact OE1-NH2 3.03Å; E542-R602 IonicContact OE2-CZ 3.67Å; E542-R602 IonicContact OE2-NH2 3.01Å; E542-R602 PolarHBondContact OE2-NH2 2.92Å; C598-R602 WeakPolarHBondContact O-CB 3.31Å; C598-R602 PolarHBondContact O-N 3.05Å; M599-R602 PolarHBondContact O-N 3.3Å; R602-T605 PolarHBondContact O-OG1 2.99Å; R602-T605 VanDerWaalsContact O-OG1 3.07Å; R602-N606 WeakPolarHBondContact O-CB 3.47Å; R602-N606 PolarHBondContact O-N 3.43Å; R602-N606 PolarHBondContact O-ND2 3.42Å
603	V	90.2	Very high	91.4	Very high	24 Å²	24	66.2 Å²	66.2	15%	0.145	35%	0.351	C	S	.	.	H	α-helix	trans	-75.5	-33.7	-178.5	176.3	0	0	0	0	112.2	F552 M599 V600 L601 T605 W610 A614	F552-V603 HydrophobicContact CE2-CG1 3.85Å; F552-V603 HydrophobicContact CZ-CB 3.97Å; F552-V603 HydrophobicContact CZ-CG1 3.82Å; F552-V603 HydrophobicContact CZ-CG2 3.89Å; M599-V603 WeakPolarHBondContact O-CG2 3.45Å; M599-V603 PolarHBondContact O-N 3.22Å; V600-V603 PolarHBondContact O-N 3.44Å; L601-V603 VanDerWaalsContact C-N 3.29Å; L601-V603 PolarHBondContact O-N 3.49Å; V603-T605 VanDerWaalsContact C-N 3.35Å; V603-W610 HydrophobicContact CG1-CB 4.31Å; V603-A614 HydrophobicContact CB-CB 4Å; V603-A614 HydrophobicContact CG1-CB 3.83Å
604	S	90.8	Very high	91.3	Very high	19 Å²	19	66.2 Å²	66.2	13%	0.133	35%	0.351	C	S	.	.	H	α-helix	trans	-71.8	-26.7	177.6	71.6	0	0	0	0	113.5	V600 L601 K611	V600-S604 WeakPolarHBondContact O-CB 3.45Å; V600-S604 PolarHBondContact O-N 3.33Å; V600-S604 PolarHBondContact O-OG 3.19Å; V600-S604 VanDerWaalsContact O-OG 3.1Å; L601-S604 WeakPolarHBondContact CA-OG 3.4Å; L601-S604 PolarHBondContact O-N 3.5Å; L601-S604 VanDerWaalsContact O-N 3.17Å; L601-S604 PolarHBondContact O-OG 3.2Å; S604-K611 WeakPolarHBondContact O-CE 3.27Å; S604-K611 WeakPolarHBondContact O-CG 3.39Å
605	T	87.6	Confident	91.1	Very high	94 Å²	94	66 Å²	66	58%	0.577	35%	0.353	S	S	*	.	H	α-helix	trans	-85.7	-24.2	177.2	54.2	0	0	0	0	112.9	L601 R602 V603	L601-T605 HydrophobicContact CD1-CG2 4.24Å; L601-T605 WeakPolarHBondContact O-CG2 3.41Å; L601-T605 PolarHBondContact O-N 3.46Å; L601-T605 PolarHBondContact O-OG1 3.47Å; L601-T605 VanDerWaalsContact O-OG1 3.08Å; R602-T605 PolarHBondContact O-OG1 2.99Å; R602-T605 VanDerWaalsContact O-OG1 3.07Å; V603-T605 VanDerWaalsContact C-N 3.35Å
606	N	83.7	Confident	91	Very high	93 Å²	93	67.4 Å²	67.4	50%	0.497	36%	0.355	S	S	.	.	S	Bend	trans	-84.7	151.9	178	-68.7	-11.3	0	0	0	111.3	R602 G608	R602-N606 WeakPolarHBondContact O-CB 3.47Å; R602-N606 PolarHBondContact O-N 3.43Å; R602-N606 PolarHBondContact O-ND2 3.42Å; N606-G608 PolarHBondContact O-N 3.47Å
607	T	70.4	Confident	91	Very high	143 Å²	143	67.3 Å²	67.3	88%	0.877	35%	0.354	S	S	*	.			trans	-74.5	112.6	168.5	50.7	0	0	0	0	108.9
608	G	80.6	Confident	90.9	Very high	46 Å²	46	65.8 Å²	65.8	47%	0.474	35%	0.351	S	S	.	.	S	Bend	trans	-163.4	161.1	179.1	0	0	0	0	0	112.4	N606 W610 K611	N606-G608 PolarHBondContact O-N 3.47Å; G608-W610 PolarHBondContact O-N 3.35Å; G608-W610 VanDerWaalsContact O-N 3.1Å; G608-K611 WeakPolarHBondContact O-CB 3.5Å; G608-K611 PolarHBondContact O-N 3.32Å; G608-K611 VanDerWaalsContact O-N 3.16Å
609	Q	86.4	Confident	90.8	Very high	163 Å²	163	68.1 Å²	68.1	76%	0.762	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-32.5	-177.9	-177.3	178.5	5.8	0	0	113
610	W	90.1	Very high	90.9	Very high	61 Å²	61	68 Å²	68	23%	0.231	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	9.3	-173.9	-53.1	124.9	0	0	0	114.9	L546 N550 F552 V603 G608 E612 A613 A614	L546-W610 PolarHBondContact O-NE1 3.05Å; N550-W610 HydrophobicContact CB-CD2 4.28Å; N550-W610 HydrophobicContact CB-CE3 3.68Å; N550-W610 HydrophobicContact CB-CH2 3.69Å; N550-W610 HydrophobicContact CB-CZ2 4.26Å; N550-W610 HydrophobicContact CB-CZ3 3.38Å; N550-W610 VanDerWaalsContact CG-CE3 3.42Å; F552-W610 HydrophobicContact CD2-CB 3.68Å; F552-W610 HydrophobicContact CD2-CG 4.27Å; F552-W610 HydrophobicContact CE2-CB 3.59Å; F552-W610 HydrophobicContact CE2-CG 4.17Å; V603-W610 HydrophobicContact CG1-CB 4.31Å; G608-W610 PolarHBondContact O-N 3.35Å; G608-W610 VanDerWaalsContact O-N 3.1Å; W610-E612 PolarHBondContact O-N 3.18Å; W610-A613 PolarHBondContact O-N 3.48Å; W610-A614 WeakPolarHBondContact O-CB 3.41Å; W610-A614 PolarHBondContact O-N 3.2Å
611	K	91.8	Very high	91	Very high	100 Å²	100	68 Å²	68	44%	0.435	35%	0.354	S	S	.	.	H	α-helix	trans	-52.5	-49.5	-174.9	-179.1	-178.7	176.7	-179.8	0	113.1	S604 G608 A614 S615	S604-K611 WeakPolarHBondContact O-CE 3.27Å; S604-K611 WeakPolarHBondContact O-CG 3.39Å; G608-K611 WeakPolarHBondContact O-CB 3.5Å; G608-K611 PolarHBondContact O-N 3.32Å; G608-K611 VanDerWaalsContact O-N 3.16Å; K611-A614 PolarHBondContact O-N 3.44Å; K611-S615 WeakPolarHBondContact O-CB 3.23Å; K611-S615 PolarHBondContact O-N 2.85Å
612	E	92.9	Very high	91.1	Very high	155 Å²	155	67.8 Å²	67.8	72%	0.724	36%	0.355	S	S	*	.	H	α-helix	trans	-67.4	-41.6	-178.1	-66.1	-175.4	176.7	0	0	112.4	W610 S615 K616	W610-E612 PolarHBondContact O-N 3.18Å; E612-S615 WeakPolarHBondContact O-CB 3.37Å; E612-S615 PolarHBondContact O-N 3.44Å; E612-K616 WeakPolarHBondContact O-CG 3.44Å; E612-K616 PolarHBondContact O-N 3.22Å; E612-K616 VanDerWaalsContact O-N 3.12Å
613	A	93.4	Very high	91.3	Very high	19 Å²	19	62 Å²	62	16%	0.157	33%	0.333	C	S	.	.	H	α-helix	trans	-63.4	-43.7	178.2	0	0	0	0	0	111	F552 W610 K616 V617	F552-A613 HydrophobicContact CB-CB 3.91Å; W610-A613 PolarHBondContact O-N 3.48Å; A613-K616 PolarHBondContact O-N 2.94Å; A613-V617 PolarHBondContact O-N 3.38Å
614	A	94.6	Very high	91.6	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-62.2	-43.3	174.7	0	0	0	0	0	112	F552 V600 V603 W610 K611 K616 V617 T618	F552-A614 HydrophobicContact CD1-CB 4.11Å; F552-A614 HydrophobicContact CD2-CB 4.3Å; F552-A614 HydrophobicContact CE1-CB 4.18Å; F552-A614 HydrophobicContact CE2-CB 4.37Å; F552-A614 HydrophobicContact CG-CB 4.17Å; F552-A614 HydrophobicContact CZ-CB 4.32Å; V600-A614 HydrophobicContact CB-CB 4.32Å; V603-A614 HydrophobicContact CB-CB 4Å; V603-A614 HydrophobicContact CG1-CB 3.83Å; W610-A614 WeakPolarHBondContact O-CB 3.41Å; W610-A614 PolarHBondContact O-N 3.2Å; K611-A614 PolarHBondContact O-N 3.44Å; A614-K616 VanDerWaalsContact C-N 3.31Å; A614-K616 PolarHBondContact O-N 2.86Å; A614-V617 WeakPolarHBondContact O-CB 3.42Å; A614-V617 PolarHBondContact O-N 3.01Å; A614-V617 VanDerWaalsContact O-N 3.07Å; A614-T618 PolarHBondContact O-N 2.97Å; A614-T618 PolarHBondContact O-OG1 2.8Å; A614-T618 VanDerWaalsContact O-OG1 3.11Å
615	S	95.4	Very high	91.9	Very high	41 Å²	41	63.2 Å²	63.2	29%	0.287	33%	0.332	S	S	.	.	H	α-helix	trans	-57.6	-41.5	177.4	-172	0	0	0	0	112.7	K611 E612 V617 T618 H619	K611-S615 WeakPolarHBondContact O-CB 3.23Å; K611-S615 PolarHBondContact O-N 2.85Å; E612-S615 WeakPolarHBondContact O-CB 3.37Å; E612-S615 PolarHBondContact O-N 3.44Å; S615-V617 VanDerWaalsContact C-N 3.32Å; S615-V617 PolarHBondContact O-N 3.41Å; S615-T618 WeakPolarHBondContact O-CB 3.17Å; S615-T618 PolarHBondContact O-N 3.34Å; S615-H619 PolarHBondContact O-CD2 3.31Å; S615-H619 PolarHBondContact O-N 3.48Å; S615-H619 VanDerWaalsContact O-N 3.08Å
616	K	95.7	Very high	92.4	Very high	125 Å²	125	60.2 Å²	60.2	54%	0.543	32%	0.317	S	S	.	.	H	α-helix	trans	-60	-41.4	175.2	-69.7	176.9	-178.6	179.6	0	112	L556 E612 A613 A614 H619 A620	L556-K616 HydrophobicContact CD1-CB 4.31Å; L556-K616 HydrophobicContact CD2-CB 3.89Å; L556-K616 HydrophobicContact CD2-CD 4.28Å; E612-K616 WeakPolarHBondContact O-CG 3.44Å; E612-K616 PolarHBondContact O-N 3.22Å; E612-K616 VanDerWaalsContact O-N 3.12Å; A613-K616 PolarHBondContact O-N 2.94Å; A614-K616 VanDerWaalsContact C-N 3.31Å; A614-K616 PolarHBondContact O-N 2.86Å; K616-H619 PolarHBondContact O-N 3.33Å; K616-A620 PolarHBondContact O-N 2.95Å
617	V	96.9	Very high	93	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-65.4	-42.3	176	-175.2	0	0	0	0	110.9	F552 A555 L556 V559 L596 V600 A613 A614 S615 H619 A620 L621	F552-V617 HydrophobicContact CB-CG2 4.07Å; F552-V617 VanDerWaalsContact O-CG2 3.27Å; F552-V617 WeakPolarHBondContact O-CG2 3.5Å; A555-V617 HydrophobicContact CB-CG2 4.49Å; L556-V617 HydrophobicContact CB-CG2 3.83Å; L556-V617 HydrophobicContact CD1-CG2 4.39Å; V559-V617 HydrophobicContact CG2-CG1 4.5Å; L596-V617 HydrophobicContact CD2-CG1 4.43Å; L596-V617 HydrophobicContact CG-CG1 4.48Å; V600-V617 HydrophobicContact CB-CB 4.4Å; V600-V617 HydrophobicContact CG1-CB 3.89Å; V600-V617 HydrophobicContact CG1-CG1 3.79Å; V600-V617 HydrophobicContact CG2-CG1 4.46Å; A613-V617 PolarHBondContact O-N 3.38Å; A614-V617 WeakPolarHBondContact O-CB 3.42Å; A614-V617 PolarHBondContact O-N 3.01Å; A614-V617 VanDerWaalsContact O-N 3.07Å; S615-V617 VanDerWaalsContact C-N 3.32Å; S615-V617 PolarHBondContact O-N 3.41Å; V617-H619 VanDerWaalsContact C-N 3.26Å; V617-H619 PolarHBondContact O-N 3.24Å; V617-A620 PolarHBondContact O-N 3.2Å; V617-A620 VanDerWaalsContact O-N 3.12Å; V617-L621 HydrophobicContact CG1-CD1 4.05Å; V617-L621 HydrophobicContact CG1-CG 4.3Å; V617-L621 WeakPolarHBondContact O-CG 3.25Å; V617-L621 PolarHBondContact O-N 3.14Å
618	T	95.8	Very high	94.3	Very high	21 Å²	21	49 Å²	49	13%	0.129	25%	0.252	C	S	.	.	H	α-helix	trans	-53.6	-44.9	175.3	-52.8	0	0	0	0	111.4	Y597 V600 A614 S615	Y597-T618 HydrophobicContact CD2-CG2 4.4Å; Y597-T618 HydrophobicContact CE2-CG2 3.77Å; V600-T618 VanDerWaalsContact CG2-OG1 3.29Å; V600-T618 WeakPolarHBondContact CG2-OG1 3.41Å; A614-T618 PolarHBondContact O-N 2.97Å; A614-T618 PolarHBondContact O-OG1 2.8Å; A614-T618 VanDerWaalsContact O-OG1 3.11Å; S615-T618 WeakPolarHBondContact O-CB 3.17Å; S615-T618 PolarHBondContact O-N 3.34Å
619	H	94	Very high	95.1	Very high	128 Å²	128	51.3 Å²	51.3	59%	0.593	25%	0.253	S	S	*	.	H	α-helix	trans	-69.8	-38.3	177.3	-68	-51.7	0	0	0	113.2	S615 K616 V617 L621 V622	S615-H619 PolarHBondContact O-CD2 3.31Å; S615-H619 PolarHBondContact O-N 3.48Å; S615-H619 VanDerWaalsContact O-N 3.08Å; K616-H619 PolarHBondContact O-N 3.33Å; V617-H619 VanDerWaalsContact C-N 3.26Å; V617-H619 PolarHBondContact O-N 3.24Å; H619-L621 VanDerWaalsContact C-N 3.28Å; H619-L621 PolarHBondContact O-N 3.25Å; H619-V622 WeakPolarHBondContact O-CG2 3.48Å; H619-V622 PolarHBondContact O-N 3.38Å
620	A	96.5	Very high	95.5	Very high	6 Å²	6	45 Å²	45	5%	0.05	22%	0.224	C	C	.	.	H	α-helix	trans	-66.2	-29.8	178.9	0	0	0	0	0	112.6	L556 V559 N563 K616 V617 V622 Q668	L556-A620 HydrophobicContact CD1-CB 3.64Å; V559-A620 HydrophobicContact CB-CB 4.47Å; V559-A620 HydrophobicContact CG1-CB 3.63Å; N563-A620 PolarHBondContact ND2-O 2.84Å; K616-A620 PolarHBondContact O-N 2.95Å; V617-A620 PolarHBondContact O-N 3.2Å; V617-A620 VanDerWaalsContact O-N 3.12Å; A620-V622 PolarHBondContact O-N 3.03Å; A620-Q668 PolarHBondContact O-NE2 3Å
621	L	97.3	Very high	95.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-6.7	-179.5	-75.7	169.3	0	0	0	115.1	V559 F593 L596 Y597 V600 V617 H619 N623 I624 R625	V559-L621 HydrophobicContact CG1-CD2 4.06Å; V559-L621 HydrophobicContact CG1-CG 4.32Å; V559-L621 HydrophobicContact CG2-CD2 3.83Å; V559-L621 HydrophobicContact CG2-CG 4.41Å; F593-L621 HydrophobicContact CD1-CD2 4.22Å; L596-L621 HydrophobicContact CD2-CD1 4.34Å; L596-L621 HydrophobicContact CD2-CD2 4.22Å; L596-L621 HydrophobicContact CG-CD1 4.12Å; Y597-L621 HydrophobicContact CD2-CD1 4.18Å; V600-L621 HydrophobicContact CG2-CD1 4.12Å; V617-L621 HydrophobicContact CG1-CD1 4.05Å; V617-L621 HydrophobicContact CG1-CG 4.3Å; V617-L621 WeakPolarHBondContact O-CG 3.25Å; V617-L621 PolarHBondContact O-N 3.14Å; H619-L621 VanDerWaalsContact C-N 3.28Å; H619-L621 PolarHBondContact O-N 3.25Å; L621-N623 PolarHBondContact O-N 2.78Å; L621-I624 HydrophobicContact CD2-CD1 4.32Å; L621-I624 PolarHBondContact O-N 2.89Å; L621-R625 HydrophobicContact CB-CG 4.48Å; L621-R625 WeakPolarHBondContact O-CG 3.44Å; L621-R625 PolarHBondContact O-N 3.43Å
622	V	96.4	Very high	95.9	Very high	61 Å²	61	38.7 Å²	38.7	37%	0.37	20%	0.199	S	C	.	.	H	α-helix	trans	-53.9	-48.5	-172.7	167.6	0	0	0	0	112.9	H619 A620 A626 K666	H619-V622 WeakPolarHBondContact O-CG2 3.48Å; H619-V622 PolarHBondContact O-N 3.38Å; A620-V622 PolarHBondContact O-N 3.03Å; V622-A626 PolarHBondContact O-N 3.4Å; V622-K666 HydrophobicContact CG1-CB 4.4Å; V622-K666 HydrophobicContact CG1-CD 4.47Å
623	N	96.7	Very high	96	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.011	19%	0.186	C	C	.	.	H	α-helix	trans	-71.8	-41.9	-177.7	-75.2	-11.9	0	0	0	112.4	L621 R625 A626 I627 L665 K666	L621-N623 PolarHBondContact O-N 2.78Å; N623-R625 VanDerWaalsContact C-N 3.28Å; N623-R625 PolarHBondContact O-N 2.67Å; N623-A626 WeakPolarHBondContact O-CB 3.48Å; N623-A626 PolarHBondContact O-N 2.8Å; N623-A626 VanDerWaalsContact O-N 3.12Å; N623-I627 WeakPolarHBondContact O-CG1 3.39Å; N623-I627 PolarHBondContact O-N 2.89Å; N623-L665 HydrophobicContact CB-CD2 4.36Å; N623-K666 PolarHBondContact ND2-O 3.35Å; N623-K666 WeakPolarHBondContact OD1-CB 3.41Å; N623-K666 PolarHBondContact OD1-N 3.01Å; N623-K666 PolarHBondContact OD1-O 2.95Å
624	I	97.7	Very high	96	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-58.5	-44	176.5	-63	179.3	0	0	0	110.1	V559 F562 I566 I586 F593 L621 I627 I628	V559-I624 HydrophobicContact CG1-CD1 3.98Å; F562-I624 HydrophobicContact CB-CD1 3.74Å; F562-I624 HydrophobicContact CB-CG1 4.5Å; F562-I624 HydrophobicContact CG-CD1 4.36Å; I566-I624 HydrophobicContact CD1-CG1 3.88Å; I586-I624 HydrophobicContact CG2-CG2 3.91Å; F593-I624 HydrophobicContact CB-CG2 4.03Å; F593-I624 HydrophobicContact CD1-CD1 4.17Å; F593-I624 HydrophobicContact CD1-CG2 3.72Å; F593-I624 HydrophobicContact CD2-CG2 4.09Å; F593-I624 HydrophobicContact CE1-CD1 3.92Å; F593-I624 HydrophobicContact CE1-CG2 4.15Å; F593-I624 HydrophobicContact CE2-CG2 4.48Å; F593-I624 HydrophobicContact CG-CG2 3.68Å; F593-I624 HydrophobicContact CZ-CG2 4.5Å; L621-I624 HydrophobicContact CD2-CD1 4.32Å; L621-I624 PolarHBondContact O-N 2.89Å; I624-I627 PolarHBondContact O-N 2.86Å; I624-I628 HydrophobicContact CG2-CD1 3.89Å; I624-I628 VanDerWaalsContact O-CG1 3.31Å; I624-I628 WeakPolarHBondContact O-CG1 3.47Å; I624-I628 PolarHBondContact O-N 3.21Å
625	R	97.1	Very high	96	Very high	69 Å²	69	37.2 Å²	37.2	26%	0.26	20%	0.195	S	C	.	.	H	α-helix	trans	-66.8	-36.9	175.7	-70.3	-173.9	69.6	-131.6	-3.1	113	Y597 L621 N623 I627 I628 N629	Y597-R625 PolarHBondContact OH-NH1 3.18Å; L621-R625 HydrophobicContact CB-CG 4.48Å; L621-R625 WeakPolarHBondContact O-CG 3.44Å; L621-R625 PolarHBondContact O-N 3.43Å; N623-R625 VanDerWaalsContact C-N 3.28Å; N623-R625 PolarHBondContact O-N 2.67Å; R625-I627 VanDerWaalsContact C-N 3.33Å; R625-I628 PolarHBondContact O-N 3.11Å; R625-N629 VanDerWaalsContact O-CB 3.31Å; R625-N629 WeakPolarHBondContact O-CB 3.38Å; R625-N629 VanDerWaalsContact O-CG 3.22Å; R625-N629 PolarHBondContact O-N 3.35Å; R625-N629 PolarHBondContact O-ND2 2.99Å; R625-N629 VanDerWaalsContact O-ND2 3.1Å
626	A	97.1	Very high	95.8	Very high	31 Å²	31	41.7 Å²	41.7	26%	0.256	21%	0.211	S	C	.	.	H	α-helix	trans	-61.7	-43.1	174.8	0	0	0	0	0	111.3	V622 N623 H630 L665	V622-A626 PolarHBondContact O-N 3.4Å; N623-A626 WeakPolarHBondContact O-CB 3.48Å; N623-A626 PolarHBondContact O-N 2.8Å; N623-A626 VanDerWaalsContact O-N 3.12Å; A626-H630 WeakPolarHBondContact O-CB 3.45Å; A626-H630 PolarHBondContact O-N 3.48Å; A626-L665 HydrophobicContact CB-CD2 4.01Å
627	I	96.9	Very high	95.6	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.5	-52.6	174.2	-66.5	168.9	0	0	0	110.4	I566 Y583 I586 V587 N623 I624 R625 N629 H630 F631 L663 L665	I566-I627 HydrophobicContact CD1-CD1 3.65Å; I566-I627 HydrophobicContact CG1-CD1 3.92Å; I566-I627 HydrophobicContact CG2-CD1 4.21Å; Y583-I627 HydrophobicContact CD2-CG2 4.19Å; Y583-I627 HydrophobicContact CE1-CD1 4.05Å; Y583-I627 HydrophobicContact CE2-CD1 4.14Å; Y583-I627 HydrophobicContact CE2-CG1 4.25Å; Y583-I627 HydrophobicContact CG-CG2 4.43Å; I586-I627 HydrophobicContact CD1-CD1 4.36Å; I586-I627 HydrophobicContact CG2-CG2 4.17Å; V587-I627 HydrophobicContact CG2-CG2 4.22Å; N623-I627 WeakPolarHBondContact O-CG1 3.39Å; N623-I627 PolarHBondContact O-N 2.89Å; I624-I627 PolarHBondContact O-N 2.86Å; R625-I627 VanDerWaalsContact C-N 3.33Å; I627-N629 PolarHBondContact O-N 3.27Å; I627-H630 PolarHBondContact O-N 3.34Å; I627-F631 HydrophobicContact CG2-CD2 3.76Å; I627-F631 HydrophobicContact CG2-CE2 4.03Å; I627-F631 VanDerWaalsContact O-CD2 3.3Å; I627-F631 WeakPolarHBondContact O-CD2 3.47Å; I627-F631 PolarHBondContact O-N 2.77Å; I627-L663 HydrophobicContact CG1-CD1 4.46Å; I627-L663 HydrophobicContact CG1-CD2 4.18Å; I627-L665 HydrophobicContact CD1-CD2 4.43Å; I627-L665 HydrophobicContact CG1-CD2 3.81Å
628	I	97.2	Very high	95.4	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-57.6	-51.2	-179.1	-69.5	166.2	0	0	0	110.9	I586 H590 F593 I624 R625 H630 F631 N632	I586-I628 HydrophobicContact CG2-CD1 4.28Å; I586-I628 HydrophobicContact CG2-CG1 3.92Å; H590-I628 HydrophobicContact CB-CB 4.43Å; H590-I628 HydrophobicContact CB-CD1 3.84Å; H590-I628 HydrophobicContact CB-CG1 3.87Å; H590-I628 HydrophobicContact CB-CG2 3.69Å; F593-I628 HydrophobicContact CB-CD1 3.78Å; F593-I628 HydrophobicContact CD2-CD1 4.23Å; F593-I628 HydrophobicContact CG-CD1 4.32Å; I624-I628 HydrophobicContact CG2-CD1 3.89Å; I624-I628 VanDerWaalsContact O-CG1 3.31Å; I624-I628 WeakPolarHBondContact O-CG1 3.47Å; I624-I628 PolarHBondContact O-N 3.21Å; R625-I628 PolarHBondContact O-N 3.11Å; I628-H630 PolarHBondContact O-N 3.25Å; I628-F631 PolarHBondContact O-N 3.19Å; I628-N632 WeakPolarHBondContact CG2-ND2 3.5Å; I628-N632 VanDerWaalsContact O-CB 3.3Å; I628-N632 WeakPolarHBondContact O-CB 3.46Å; I628-N632 PolarHBondContact O-N 3Å
629	N	96.5	Very high	95.2	Very high	94 Å²	94	41.5 Å²	41.5	50%	0.503	22%	0.219	S	C	.	.	H	α-helix	trans	-68.3	-22.5	-177.7	-68.9	-31.9	0	0	0	113.3	R625 I627 P633	R625-N629 VanDerWaalsContact O-CB 3.31Å; R625-N629 WeakPolarHBondContact O-CB 3.38Å; R625-N629 VanDerWaalsContact O-CG 3.22Å; R625-N629 PolarHBondContact O-N 3.35Å; R625-N629 PolarHBondContact O-ND2 2.99Å; R625-N629 VanDerWaalsContact O-ND2 3.1Å; I627-N629 PolarHBondContact O-N 3.27Å; N629-P633 WeakPolarHBondContact O-CD 3.3Å; N629-P633 WeakPolarHBondContact O-CG 3.35Å
630	H	96.4	Very high	95	Very high	32 Å²	32	38.6 Å²	38.6	15%	0.148	22%	0.217	C	C	.	.	H	α-helix	trans	-80.1	-47.1	176.2	-178.1	75.9	0	0	0	112.2	A626 I627 I628 K634 N659 T662 L663	A626-H630 WeakPolarHBondContact O-CB 3.45Å; A626-H630 PolarHBondContact O-N 3.48Å; I627-H630 PolarHBondContact O-N 3.34Å; I628-H630 PolarHBondContact O-N 3.25Å; H630-K634 PolarHBondContact CE1-NZ 3.49Å; H630-K634 VanDerWaalsContact CE1-NZ 3.28Å; H630-K634 PolarHBondContact NE2-NZ 2.86Å; H630-K634 WeakPolarHBondContact O-CD 3.25Å; H630-K634 WeakPolarHBondContact O-CG 3.47Å; H630-N659 PolarHBondContact NE2-O 3.31Å; H630-T662 PolarHBondContact CE1-O 2.77Å; H630-T662 PolarHBondContact CE1-OG1 3.33Å; H630-T662 PolarHBondContact NE2-OG1 3.28Å; H630-L663 HydrophobicContact CB-CD1 3.64Å
631	F	95.9	Very high	94.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-86.8	-35	-172.9	-70.6	-68.9	0	0	0	113.7	Y583 V587 I627 I628 K634 I635 V656 N659 L663	Y583-F631 AromaticContact CD2-CE2 3.59Å; Y583-F631 HydrophobicContact CD2-CE2 3.59Å; Y583-F631 HydrophobicContact CD2-CZ 4.08Å; Y583-F631 HydrophobicContact CE2-CE2 4.11Å; V587-F631 HydrophobicContact CG2-CB 3.83Å; V587-F631 HydrophobicContact CG2-CD2 4.28Å; V587-F631 HydrophobicContact CG2-CG 4.4Å; I627-F631 HydrophobicContact CG2-CD2 3.76Å; I627-F631 HydrophobicContact CG2-CE2 4.03Å; I627-F631 VanDerWaalsContact O-CD2 3.3Å; I627-F631 WeakPolarHBondContact O-CD2 3.47Å; I627-F631 PolarHBondContact O-N 2.77Å; I628-F631 PolarHBondContact O-N 3.19Å; F631-K634 PolarHBondContact O-N 3.33Å; F631-K634 VanDerWaalsContact O-N 3.13Å; F631-I635 HydrophobicContact CB-CD1 4.22Å; F631-I635 VanDerWaalsContact O-CG1 3.29Å; F631-I635 WeakPolarHBondContact O-CG1 3.29Å; F631-I635 PolarHBondContact O-N 3.12Å; F631-V656 HydrophobicContact CD1-CG2 4.12Å; F631-V656 HydrophobicContact CE1-CB 4.28Å; F631-V656 HydrophobicContact CE1-CG1 4.26Å; F631-V656 HydrophobicContact CE1-CG2 4.29Å; F631-V656 HydrophobicContact CG-CG2 4.47Å; F631-V656 HydrophobicContact CZ-CG1 4.24Å; F631-N659 HydrophobicContact CD1-CB 4.45Å; F631-N659 HydrophobicContact CE1-CB 3.94Å; F631-L663 HydrophobicContact CE2-CD2 3.98Å; F631-L663 HydrophobicContact CZ-CD2 4.35Å
632	N	94.1	Very high	94.4	Very high	28 Å²	28	46.9 Å²	46.9	15%	0.15	26%	0.264	C	S	.	.	H	α-helix	trans	-55.7	-51.3	-178.8	-85.9	-6.1	0	0	0	112.9	V587 I628 K634 I635 E636	V587-N632 WeakPolarHBondContact CG1-OD1 3.42Å; I628-N632 WeakPolarHBondContact CG2-ND2 3.5Å; I628-N632 VanDerWaalsContact O-CB 3.3Å; I628-N632 WeakPolarHBondContact O-CB 3.46Å; I628-N632 PolarHBondContact O-N 3Å; N632-K634 VanDerWaalsContact C-N 3.25Å; N632-K634 PolarHBondContact O-N 2.79Å; N632-I635 PolarHBondContact O-N 2.9Å; N632-E636 WeakPolarHBondContact O-CG 3.29Å; N632-E636 PolarHBondContact O-N 3.36Å
633	P	94.4	Very high	94	Very high	70 Å²	70	52 Å²	52	46%	0.455	28%	0.284	S	S	.	.	H	α-helix	trans	-62.9	-32	178.9	-23	34.8	0	0	0	113.1	N629 S637	N629-P633 WeakPolarHBondContact O-CD 3.3Å; N629-P633 WeakPolarHBondContact O-CG 3.35Å; P633-S637 VanDerWaalsContact O-CB 3.27Å; P633-S637 WeakPolarHBondContact O-CB 3.39Å; P633-S637 PolarHBondContact O-N 2.83Å
634	K	94.1	Very high	93.6	Very high	53 Å²	53	54.1 Å²	54.1	23%	0.23	30%	0.295	C	S	.	.	H	α-helix	trans	-71.9	-39	178	-67.1	-178.2	173.4	-157.1	0	111.8	H630 F631 N632 S637 Y638 V655 N659 T662	H630-K634 PolarHBondContact CE1-NZ 3.49Å; H630-K634 VanDerWaalsContact CE1-NZ 3.28Å; H630-K634 PolarHBondContact NE2-NZ 2.86Å; H630-K634 WeakPolarHBondContact O-CD 3.25Å; H630-K634 WeakPolarHBondContact O-CG 3.47Å; F631-K634 PolarHBondContact O-N 3.33Å; F631-K634 VanDerWaalsContact O-N 3.13Å; N632-K634 VanDerWaalsContact C-N 3.25Å; N632-K634 PolarHBondContact O-N 2.79Å; K634-S637 PolarHBondContact O-N 2.9Å; K634-Y638 WeakPolarHBondContact O-CB 3.36Å; K634-Y638 PolarHBondContact O-N 3.14Å; K634-V655 HydrophobicContact CB-CG1 4.06Å; K634-N659 HydrophobicContact CD-CB 3.85Å; K634-N659 WeakPolarHBondContact CD-OD1 3.21Å; K634-N659 PolarHBondContact NZ-OD1 3.12Å; K634-T662 PolarHBondContact NZ-OG1 3.29Å
635	I	92.9	Very high	92.7	Very high	20 Å²	20	60.1 Å²	60.1	10%	0.103	34%	0.336	C	S	.	.	H	α-helix	trans	-65.9	-45.5	174.4	-68.5	162.1	0	0	0	110	V587 F631 N632 S637 Y638 A639 L647 V652 V655	V587-I635 HydrophobicContact CG1-CD1 3.42Å; V587-I635 VanDerWaalsContact CG1-CD1 3.42Å; F631-I635 HydrophobicContact CB-CD1 4.22Å; F631-I635 VanDerWaalsContact O-CG1 3.29Å; F631-I635 WeakPolarHBondContact O-CG1 3.29Å; F631-I635 PolarHBondContact O-N 3.12Å; N632-I635 PolarHBondContact O-N 2.9Å; I635-S637 VanDerWaalsContact C-N 3.33Å; I635-S637 PolarHBondContact O-N 3.17Å; I635-Y638 PolarHBondContact O-N 2.86Å; I635-A639 WeakPolarHBondContact O-CB 3.48Å; I635-A639 PolarHBondContact O-N 3.35Å; I635-L647 HydrophobicContact CG2-CD1 3.73Å; I635-L647 HydrophobicContact CG2-CD2 4.26Å; I635-V652 HydrophobicContact CD1-CG1 3.74Å; I635-V652 HydrophobicContact CG1-CG1 4.31Å; I635-V655 HydrophobicContact CG1-CB 4.29Å; I635-V655 HydrophobicContact CG1-CG1 3.85Å
636	E	91.8	Very high	92	Very high	135 Å²	135	65.2 Å²	65.2	63%	0.631	36%	0.363	S	S	*	.	H	α-helix	trans	-60.2	-42.7	175.2	-72.1	174.3	-173.3	0	0	111.7	N632 A639 A640	N632-E636 WeakPolarHBondContact O-CG 3.29Å; N632-E636 PolarHBondContact O-N 3.36Å; E636-A639 WeakPolarHBondContact O-CB 3.4Å; E636-A639 PolarHBondContact O-N 2.93Å; E636-A640 WeakPolarHBondContact O-CB 3.43Å; E636-A640 PolarHBondContact O-N 3.18Å
637	S	92.4	Very high	91.5	Very high	68 Å²	68	65.8 Å²	65.8	48%	0.476	36%	0.362	S	S	.	.	H	α-helix	trans	-63.4	-45.6	175.5	-178.6	0	0	0	0	112.1	P633 K634 I635 A639 A640 V641	P633-S637 VanDerWaalsContact O-CB 3.27Å; P633-S637 WeakPolarHBondContact O-CB 3.39Å; P633-S637 PolarHBondContact O-N 2.83Å; K634-S637 PolarHBondContact O-N 2.9Å; I635-S637 VanDerWaalsContact C-N 3.33Å; I635-S637 PolarHBondContact O-N 3.17Å; S637-A639 VanDerWaalsContact C-N 3.32Å; S637-A639 PolarHBondContact O-N 3.32Å; S637-A640 PolarHBondContact O-N 3.35Å; S637-V641 WeakPolarHBondContact O-CB 3.08Å; S637-V641 VanDerWaalsContact O-CG2 3.27Å; S637-V641 WeakPolarHBondContact O-CG2 3.35Å; S637-V641 PolarHBondContact O-N 3.44Å
638	Y	91.8	Very high	91.2	Very high	57 Å²	57	68.7 Å²	68.7	22%	0.224	38%	0.382	C	S	.	.	H	α-helix	trans	-61.2	-41.1	175.4	-176.9	-79.4	0	0	0	111.5	K634 I635 N642 L647 Q651 E654 V655	K634-Y638 WeakPolarHBondContact O-CB 3.36Å; K634-Y638 PolarHBondContact O-N 3.14Å; I635-Y638 PolarHBondContact O-N 2.86Å; Y638-N642 WeakPolarHBondContact CD1-ND2 3.42Å; Y638-N642 VanDerWaalsContact CE1-ND2 3.35Å; Y638-N642 WeakPolarHBondContact CE1-ND2 3.4Å; Y638-N642 WeakPolarHBondContact O-CB 3.48Å; Y638-N642 PolarHBondContact O-N 3.38Å; Y638-N642 PolarHBondContact O-ND2 3.13Å; Y638-L647 HydrophobicContact CD1-CD2 3.57Å; Y638-L647 HydrophobicContact CE1-CD2 3.97Å; Y638-Q651 HydrophobicContact CE1-CB 4.37Å; Y638-E654 PolarHBondContact OH-OE2 3.47Å; Y638-V655 HydrophobicContact CD1-CG2 4.08Å; Y638-V655 HydrophobicContact CD2-CG2 3.54Å; Y638-V655 HydrophobicContact CE2-CG2 4.07Å; Y638-V655 HydrophobicContact CG-CG2 3.53Å
639	A	91.3	Very high	90.9	Very high	17 Å²	17	72 Å²	72	14%	0.14	40%	0.397	C	S	.	.	H	α-helix	trans	-60.1	-46.5	175.7	0	0	0	0	0	111.5	I635 E636 S637 H643 I644 L647	I635-A639 WeakPolarHBondContact O-CB 3.48Å; I635-A639 PolarHBondContact O-N 3.35Å; E636-A639 WeakPolarHBondContact O-CB 3.4Å; E636-A639 PolarHBondContact O-N 2.93Å; S637-A639 VanDerWaalsContact C-N 3.32Å; S637-A639 PolarHBondContact O-N 3.32Å; A639-H643 WeakPolarHBondContact O-CA 3.36Å; A639-H643 PolarHBondContact O-N 3.08Å; A639-I644 PolarHBondContact O-N 3.2Å; A639-L647 HydrophobicContact CB-CD1 3.7Å
640	A	91.5	Very high	90.6	Very high	66 Å²	66	72.7 Å²	72.7	55%	0.545	40%	0.398	S	S	.	.	H	α-helix	trans	-66.3	-43.5	-178.9	0	0	0	0	0	112.2	E636 S637 H643	E636-A640 WeakPolarHBondContact O-CB 3.43Å; E636-A640 PolarHBondContact O-N 3.18Å; S637-A640 PolarHBondContact O-N 3.35Å; A640-H643 PolarHBondContact O-N 3.11Å; A640-H643 PolarHBondContact O-ND1 2.85Å
641	V	91.6	Very high	90.4	Very high	104 Å²	104	73.7 Å²	73.7	63%	0.63	40%	0.402	S	S	*	.	H	α-helix	trans	-66	-39.7	179.1	170.5	0	0	0	0	111.6	S637 H643	S637-V641 WeakPolarHBondContact O-CB 3.08Å; S637-V641 VanDerWaalsContact O-CG2 3.27Å; S637-V641 WeakPolarHBondContact O-CG2 3.35Å; S637-V641 PolarHBondContact O-N 3.44Å; V641-H643 VanDerWaalsContact C-N 3.32Å
642	N	88.9	Confident	90.1	Very high	76 Å²	76	74.4 Å²	74.4	41%	0.406	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	1.1	179.8	-67	-72.6	0	0	0	113.3	Y638 I644	Y638-N642 WeakPolarHBondContact CD1-ND2 3.42Å; Y638-N642 VanDerWaalsContact CE1-ND2 3.35Å; Y638-N642 WeakPolarHBondContact CE1-ND2 3.4Å; Y638-N642 WeakPolarHBondContact O-CB 3.48Å; Y638-N642 PolarHBondContact O-N 3.38Å; Y638-N642 PolarHBondContact O-ND2 3.13Å; N642-I644 HydrophobicContact CB-CD1 3.64Å; N642-I644 HydrophobicContact CB-CG1 3.81Å; N642-I644 WeakPolarHBondContact O-CG1 3.37Å; N642-I644 PolarHBondContact O-N 3.4Å
643	H	87.5	Confident	90.1	Very high	170 Å²	170	73.3 Å²	73.3	79%	0.787	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	37.6	-175.4	-56.9	-61.6	0	0	0	113.9	A639 A640 V641	A639-H643 WeakPolarHBondContact O-CA 3.36Å; A639-H643 PolarHBondContact O-N 3.08Å; A640-H643 PolarHBondContact O-N 3.11Å; A640-H643 PolarHBondContact O-ND1 2.85Å; V641-H643 VanDerWaalsContact C-N 3.32Å
644	I	89.5	Confident	90	Very high	46 Å²	46	74.3 Å²	74.3	24%	0.236	40%	0.399	C	S	.	.			trans	-101.4	122	-178	-60.4	174.1	0	0	0	109.4	A639 N642 Q646	A639-I644 PolarHBondContact O-N 3.2Å; N642-I644 HydrophobicContact CB-CD1 3.64Å; N642-I644 HydrophobicContact CB-CG1 3.81Å; N642-I644 WeakPolarHBondContact O-CG1 3.37Å; N642-I644 PolarHBondContact O-N 3.4Å; I644-Q646 WeakPolarHBondContact CG2-O 3.47Å
645	S	78.8	Confident	89.9	Confident	125 Å²	125	72 Å²	72	87%	0.874	39%	0.39	S	S	*	.	S	Bend	trans	-78.6	-28.1	179	-50.2	0	0	0	0	114
646	Q	81.7	Confident	89.8	Confident	176 Å²	176	71.1 Å²	71.1	82%	0.822	39%	0.385	S	S	*	.	S	Bend	trans	-140	116.9	176.1	-73.6	-176.1	-14.2	0	0	109.2	I644	I644-Q646 WeakPolarHBondContact CG2-O 3.47Å
647	L	86.8	Confident	89.9	Confident	44 Å²	44	69 Å²	69	23%	0.23	37%	0.371	C	S	.	.			trans	-75.2	143.8	175.3	-64.9	97.6	0	0	0	110.9	I635 Y638 A639 Q651 V652	I635-L647 HydrophobicContact CG2-CD1 3.73Å; I635-L647 HydrophobicContact CG2-CD2 4.26Å; Y638-L647 HydrophobicContact CD1-CD2 3.57Å; Y638-L647 HydrophobicContact CE1-CD2 3.97Å; A639-L647 HydrophobicContact CB-CD1 3.7Å; L647-Q651 HydrophobicContact CB-CB 4.3Å; L647-Q651 HydrophobicContact CD2-CB 4.02Å; L647-V652 HydrophobicContact CB-CG2 3.76Å; L647-V652 HydrophobicContact CD2-CG2 4.23Å
648	S	90.1	Very high	89.9	Confident	60 Å²	60	69.6 Å²	69.6	42%	0.42	38%	0.375	S	S	.	.			trans	-73.2	162.5	164.6	64.6	0	0	0	0	111.5	E650 Q651 V652	S648-E650 VanDerWaalsContact C-N 3.33Å; S648-E650 PolarHBondContact O-N 3.44Å; S648-Q651 PolarHBondContact O-N 2.97Å; S648-Q651 VanDerWaalsContact OG-CD 3.23Å; S648-Q651 VanDerWaalsContact OG-CG 3.25Å; S648-Q651 WeakPolarHBondContact OG-CG 3.32Å; S648-Q651 PolarHBondContact OG-N 3.06Å; S648-Q651 PolarHBondContact OG-OE1 3.01Å; S648-V652 WeakPolarHBondContact O-CG2 3.14Å; S648-V652 PolarHBondContact O-N 3.24Å; S648-V652 VanDerWaalsContact O-N 3.14Å
649	E	90.9	Very high	89.9	Confident	72 Å²	72	68.8 Å²	68.8	34%	0.336	38%	0.375	S	S	.	.	H	α-helix	trans	-54.7	-46.5	176.2	175.1	169.2	-177.7	0	0	112.5	R525 Y584 Q651 V652 L653	R525-E649 IonicContact CZ-OE1 3.24Å; R525-E649 IonicContact NH1-OE1 3.14Å; R525-E649 PolarHBondContact NH1-OE1 3.02Å; R525-E649 IonicContact NH1-OE2 3.13Å; R525-E649 IonicContact NH2-OE1 3.81Å; R525-E649 PolarHBondContact NH2-OE1 3.28Å; R525-E649 IonicContact NH2-OE2 3.36Å; Y584-E649 HydrophobicContact CD2-CG 4.38Å; Y584-E649 HydrophobicContact CE1-CG 4.1Å; Y584-E649 HydrophobicContact CE2-CB 4.14Å; Y584-E649 HydrophobicContact CE2-CG 3.84Å; E649-Q651 VanDerWaalsContact C-N 3.32Å; E649-Q651 PolarHBondContact O-N 3.3Å; E649-V652 PolarHBondContact O-N 3.4Å; E649-L653 HydrophobicContact CG-CD1 3.97Å; E649-L653 WeakPolarHBondContact O-CG 3.42Å; E649-L653 PolarHBondContact O-N 3.01Å
650	E	90.9	Very high	89.8	Confident	108 Å²	108	71.2 Å²	71.2	51%	0.505	38%	0.381	S	S	.	.	H	α-helix	trans	-64.7	-36.5	-178.8	-167.8	59	-150.5	0	0	112.3	S648 L653 E654 R657	S648-E650 VanDerWaalsContact C-N 3.33Å; S648-E650 PolarHBondContact O-N 3.44Å; E650-L653 PolarHBondContact O-N 2.83Å; E650-E654 PolarHBondContact O-N 3.26Å; E650-R657 IonicContact OE1-CZ 2.72Å; E650-R657 IonicContact OE1-NH1 3.67Å; E650-R657 PolarHBondContact OE1-NH1 2.8Å; E650-R657 IonicContact OE1-NH2 3.14Å
651	Q	90.9	Very high	89.7	Confident	52 Å²	52	74.5 Å²	74.5	24%	0.243	39%	0.389	C	S	.	.	H	α-helix	trans	-67.7	-37	176.7	-71.7	167.3	-39	0	0	111.9	Y638 L647 S648 E649 E654 V655	Y638-Q651 HydrophobicContact CE1-CB 4.37Å; L647-Q651 HydrophobicContact CB-CB 4.3Å; L647-Q651 HydrophobicContact CD2-CB 4.02Å; S648-Q651 PolarHBondContact O-N 2.97Å; S648-Q651 VanDerWaalsContact OG-CD 3.23Å; S648-Q651 VanDerWaalsContact OG-CG 3.25Å; S648-Q651 WeakPolarHBondContact OG-CG 3.32Å; S648-Q651 PolarHBondContact OG-N 3.06Å; S648-Q651 PolarHBondContact OG-OE1 3.01Å; E649-Q651 VanDerWaalsContact C-N 3.32Å; E649-Q651 PolarHBondContact O-N 3.3Å; Q651-E654 WeakPolarHBondContact O-CB 3.41Å; Q651-E654 PolarHBondContact O-N 2.99Å; Q651-V655 WeakPolarHBondContact O-CG2 3.42Å; Q651-V655 PolarHBondContact O-N 2.92Å
652	V	91.4	Very high	89.7	Confident	15 Å²	15	73 Å²	73	9%	0.091	38%	0.38	C	S	.	.	H	α-helix	trans	-67.6	-41.9	173.7	179.6	0	0	0	0	110.4	Y584 I635 L647 S648 E649 E654 V655 V656	Y584-V652 HydrophobicContact CD2-CB 3.81Å; Y584-V652 HydrophobicContact CD2-CG1 3.6Å; Y584-V652 HydrophobicContact CE2-CB 3.82Å; Y584-V652 HydrophobicContact CE2-CG1 3.95Å; Y584-V652 HydrophobicContact CE2-CG2 4.32Å; I635-V652 HydrophobicContact CD1-CG1 3.74Å; I635-V652 HydrophobicContact CG1-CG1 4.31Å; L647-V652 HydrophobicContact CB-CG2 3.76Å; L647-V652 HydrophobicContact CD2-CG2 4.23Å; S648-V652 WeakPolarHBondContact O-CG2 3.14Å; S648-V652 PolarHBondContact O-N 3.24Å; S648-V652 VanDerWaalsContact O-N 3.14Å; E649-V652 PolarHBondContact O-N 3.4Å; V652-E654 VanDerWaalsContact C-N 3.31Å; V652-E654 PolarHBondContact O-N 3.4Å; V652-V655 PolarHBondContact O-N 3.11Å; V652-V656 WeakPolarHBondContact O-CG2 3.46Å; V652-V656 PolarHBondContact O-N 3.22Å
653	L	92.9	Very high	89.9	Confident	6 Å²	6	70.6 Å²	70.6	3%	0.031	37%	0.367	C	S	.	.	H	α-helix	trans	-61.3	-38.4	175.3	-71.9	167.6	0	0	0	111.9	D580 Y584 E649 E650 V655 V656 R657	D580-L653 HydrophobicContact CB-CD2 3.73Å; D580-L653 WeakPolarHBondContact O-CD2 3.47Å; Y584-L653 HydrophobicContact CD2-CD2 4.43Å; Y584-L653 HydrophobicContact CD2-CG 4.27Å; Y584-L653 HydrophobicContact CG-CD2 4.2Å; Y584-L653 HydrophobicContact CG-CG 4.46Å; E649-L653 HydrophobicContact CG-CD1 3.97Å; E649-L653 WeakPolarHBondContact O-CG 3.42Å; E649-L653 PolarHBondContact O-N 3.01Å; E650-L653 PolarHBondContact O-N 2.83Å; L653-V655 VanDerWaalsContact C-N 3.35Å; L653-V655 PolarHBondContact O-N 2.76Å; L653-V656 PolarHBondContact O-N 3.3Å; L653-R657 WeakPolarHBondContact O-CB 3.18Å; L653-R657 VanDerWaalsContact O-CG 3.26Å; L653-R657 WeakPolarHBondContact O-CG 3.5Å; L653-R657 PolarHBondContact O-N 3.47Å
654	E	92	Very high	90.1	Very high	91 Å²	91	68.4 Å²	68.4	43%	0.425	37%	0.366	S	S	.	.	H	α-helix	trans	-58.8	-45.8	173.7	-174.6	-174.1	-169.9	0	0	111.7	Y638 E650 Q651 V652 V656 R657 S658	Y638-E654 PolarHBondContact OH-OE2 3.47Å; E650-E654 PolarHBondContact O-N 3.26Å; Q651-E654 WeakPolarHBondContact O-CB 3.41Å; Q651-E654 PolarHBondContact O-N 2.99Å; V652-E654 VanDerWaalsContact C-N 3.31Å; V652-E654 PolarHBondContact O-N 3.4Å; E654-V656 VanDerWaalsContact C-N 3.35Å; E654-R657 PolarHBondContact O-N 3.26Å; E654-S658 WeakPolarHBondContact O-CB 3.39Å; E654-S658 PolarHBondContact O-N 2.87Å; E654-S658 PolarHBondContact O-OG 3.21Å
655	V	92	Very high	90.3	Very high	5 Å²	5	69 Å²	69	3%	0.03	37%	0.369	C	S	.	.	H	α-helix	trans	-62.3	-43.6	175.5	176.2	0	0	0	0	110.6	K634 I635 Y638 Q651 V652 L653 S658 N659	K634-V655 HydrophobicContact CB-CG1 4.06Å; I635-V655 HydrophobicContact CG1-CB 4.29Å; I635-V655 HydrophobicContact CG1-CG1 3.85Å; Y638-V655 HydrophobicContact CD1-CG2 4.08Å; Y638-V655 HydrophobicContact CD2-CG2 3.54Å; Y638-V655 HydrophobicContact CE2-CG2 4.07Å; Y638-V655 HydrophobicContact CG-CG2 3.53Å; Q651-V655 WeakPolarHBondContact O-CG2 3.42Å; Q651-V655 PolarHBondContact O-N 2.92Å; V652-V655 PolarHBondContact O-N 3.11Å; L653-V655 VanDerWaalsContact C-N 3.35Å; L653-V655 PolarHBondContact O-N 2.76Å; V655-S658 PolarHBondContact O-N 2.77Å; V655-N659 WeakPolarHBondContact O-CB 3.44Å; V655-N659 PolarHBondContact O-N 3.27Å; V655-N659 PolarHBondContact O-ND2 3.31Å
656	V	92.3	Very high	91	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-60	-52.8	178.3	169.9	0	0	0	0	110.9	F631 V652 L653 E654 S658 N659 Y660	F631-V656 HydrophobicContact CD1-CG2 4.12Å; F631-V656 HydrophobicContact CE1-CB 4.28Å; F631-V656 HydrophobicContact CE1-CG1 4.26Å; F631-V656 HydrophobicContact CE1-CG2 4.29Å; F631-V656 HydrophobicContact CG-CG2 4.47Å; F631-V656 HydrophobicContact CZ-CG1 4.24Å; V652-V656 WeakPolarHBondContact O-CG2 3.46Å; V652-V656 PolarHBondContact O-N 3.22Å; L653-V656 PolarHBondContact O-N 3.3Å; E654-V656 VanDerWaalsContact C-N 3.35Å; V656-S658 VanDerWaalsContact C-N 3.27Å; V656-S658 PolarHBondContact O-N 3.45Å; V656-N659 PolarHBondContact O-N 3.34Å; V656-N659 VanDerWaalsContact O-N 3.14Å; V656-Y660 HydrophobicContact CG1-CE1 4.43Å; V656-Y660 HydrophobicContact CG1-CE2 3.75Å; V656-Y660 VanDerWaalsContact CG1-OH 3.31Å; V656-Y660 WeakPolarHBondContact CG1-OH 3.31Å; V656-Y660 WeakPolarHBondContact O-CD2 3.31Å
657	R	93	Very high	91.3	Very high	92 Å²	92	67.4 Å²	67.4	35%	0.347	35%	0.349	S	S	.	.	H	α-helix	trans	-57.2	-38.6	-179.7	-71.3	171.3	-171.6	145.9	3	112.7	N577 D580 E650 L653 E654 N659	N577-R657 PolarHBondContact OD1-NH2 2.91Å; N577-R657 VanDerWaalsContact OD1-NH2 3.13Å; D580-R657 WeakPolarHBondContact OD2-CG 3.43Å; D580-R657 IonicContact OD2-CZ 3.18Å; D580-R657 IonicContact OD2-NE 3.74Å; D580-R657 PolarHBondContact OD2-NE 3.44Å; D580-R657 IonicContact OD2-NH2 3.25Å; E650-R657 IonicContact OE1-CZ 2.72Å; E650-R657 IonicContact OE1-NH1 3.67Å; E650-R657 PolarHBondContact OE1-NH1 2.8Å; E650-R657 IonicContact OE1-NH2 3.14Å; L653-R657 WeakPolarHBondContact O-CB 3.18Å; L653-R657 VanDerWaalsContact O-CG 3.26Å; L653-R657 WeakPolarHBondContact O-CG 3.5Å; L653-R657 PolarHBondContact O-N 3.47Å; E654-R657 PolarHBondContact O-N 3.26Å; R657-N659 VanDerWaalsContact C-N 3.26Å; R657-N659 PolarHBondContact O-N 3.07Å
658	S	91.8	Very high	91.3	Very high	80 Å²	80	66.5 Å²	66.5	56%	0.559	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-2.3	-176.3	-54.1	0	0	0	0	114.3	E654 V655 V656	E654-S658 WeakPolarHBondContact O-CB 3.39Å; E654-S658 PolarHBondContact O-N 2.87Å; E654-S658 PolarHBondContact O-OG 3.21Å; V655-S658 PolarHBondContact O-N 2.77Å; V656-S658 VanDerWaalsContact C-N 3.27Å; V656-S658 PolarHBondContact O-N 3.45Å
659	N	92.6	Very high	91	Very high	39 Å²	39	70 Å²	70	21%	0.209	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136	16.3	-167	-74.9	-80.9	0	0	0	114.7	H630 F631 K634 V655 V656 R657 T662	H630-N659 PolarHBondContact NE2-O 3.31Å; F631-N659 HydrophobicContact CD1-CB 4.45Å; F631-N659 HydrophobicContact CE1-CB 3.94Å; K634-N659 HydrophobicContact CD-CB 3.85Å; K634-N659 WeakPolarHBondContact CD-OD1 3.21Å; K634-N659 PolarHBondContact NZ-OD1 3.12Å; V655-N659 WeakPolarHBondContact O-CB 3.44Å; V655-N659 PolarHBondContact O-N 3.27Å; V655-N659 PolarHBondContact O-ND2 3.31Å; V656-N659 PolarHBondContact O-N 3.34Å; V656-N659 VanDerWaalsContact O-N 3.14Å; R657-N659 VanDerWaalsContact C-N 3.26Å; R657-N659 PolarHBondContact O-N 3.07Å; N659-T662 PolarHBondContact O-OG1 3.22Å
660	Y	89	Confident	90.9	Very high	69 Å²	69	67.9 Å²	67.9	27%	0.271	36%	0.356	S	S	.	.	S	Bend	trans	-66.2	-36.9	176.2	-85	-70.9	0	0	0	113.6	Y579 D580 Y583 V656 T662 L663	Y579-Y660 PolarHBondContact O-OH 3.42Å; D580-Y660 WeakPolarHBondContact CA-OH 3.5Å; D580-Y660 PolarHBondContact N-OH 3.47Å; D580-Y660 VanDerWaalsContact OD1-CE2 3.31Å; D580-Y660 WeakPolarHBondContact OD1-CE2 3.34Å; D580-Y660 PolarHBondContact OD1-OH 2.83Å; D580-Y660 VanDerWaalsContact OD1-OH 3.12Å; Y583-Y660 HydrophobicContact CD2-CD1 4.48Å; Y583-Y660 AromaticContact CD2-CE1 3.55Å; Y583-Y660 HydrophobicContact CD2-CE1 3.55Å; Y583-Y660 HydrophobicContact CE2-CD1 4.19Å; Y583-Y660 AromaticContact CE2-CE1 3.5Å; Y583-Y660 HydrophobicContact CE2-CE1 3.5Å; Y583-Y660 VanDerWaalsContact CE2-CE1 3.5Å; Y583-Y660 HydrophobicContact CG-CE1 4.35Å; V656-Y660 HydrophobicContact CG1-CE1 4.43Å; V656-Y660 HydrophobicContact CG1-CE2 3.75Å; V656-Y660 VanDerWaalsContact CG1-OH 3.31Å; V656-Y660 WeakPolarHBondContact CG1-OH 3.31Å; V656-Y660 WeakPolarHBondContact O-CD2 3.31Å; Y660-T662 PolarHBondContact O-N 3Å; Y660-L663 WeakPolarHBondContact O-CB 3.45Å; Y660-L663 PolarHBondContact O-N 3.39Å; Y660-L663 VanDerWaalsContact O-N 3.12Å
661	D	89	Confident	91	Very high	135 Å²	135	63.2 Å²	63.2	72%	0.722	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-30.7	-176	66.2	-33.8	0	0	0	114.3
662	T	91.7	Very high	91	Very high	71 Å²	71	63.3 Å²	63.3	44%	0.436	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-4.6	-176.7	45.1	0	0	0	0	113.1	H630 K634 N659 Y660	H630-T662 PolarHBondContact CE1-O 2.77Å; H630-T662 PolarHBondContact CE1-OG1 3.33Å; H630-T662 PolarHBondContact NE2-OG1 3.28Å; K634-T662 PolarHBondContact NZ-OG1 3.29Å; N659-T662 PolarHBondContact O-OG1 3.22Å; Y660-T662 PolarHBondContact O-N 3Å
663	L	93.6	Very high	91	Very high	27 Å²	27	69.7 Å²	69.7	14%	0.141	37%	0.365	C	S	.	.			trans	-81.1	123.3	178.9	178.7	68.9	0	0	0	110.4	Y583 I627 H630 F631 Y660 L665	Y583-L663 HydrophobicContact CD2-CD2 4.43Å; Y583-L663 HydrophobicContact CE2-CD2 3.54Å; I627-L663 HydrophobicContact CG1-CD1 4.46Å; I627-L663 HydrophobicContact CG1-CD2 4.18Å; H630-L663 HydrophobicContact CB-CD1 3.64Å; F631-L663 HydrophobicContact CE2-CD2 3.98Å; F631-L663 HydrophobicContact CZ-CD2 4.35Å; Y660-L663 WeakPolarHBondContact O-CB 3.45Å; Y660-L663 PolarHBondContact O-N 3.39Å; Y660-L663 VanDerWaalsContact O-N 3.12Å; L663-L665 HydrophobicContact CD1-CD2 3.99Å; L663-L665 HydrophobicContact CD2-CD1 4.11Å; L663-L665 HydrophobicContact CD2-CD2 4.12Å; L663-L665 HydrophobicContact CD2-CG 4.1Å; L663-L665 HydrophobicContact CG-CD2 4.01Å; L663-L665 HydrophobicContact CG-CG 4.05Å
664	T	92.3	Very high	91	Very high	124 Å²	124	72 Å²	72	76%	0.761	38%	0.375	S	S	*	.			trans	-109.8	124.1	173.9	-56.3	0	0	0	0	110.4
665	L	93.9	Very high	90.9	Very high	57 Å²	57	74 Å²	74	30%	0.298	38%	0.384	S	S	.	.			trans	-116.5	151.2	178.5	-59.2	179.5	0	0	0	111	I566 N623 A626 I627 L663	I566-L665 HydrophobicContact CG2-CD1 3.57Å; N623-L665 HydrophobicContact CB-CD2 4.36Å; A626-L665 HydrophobicContact CB-CD2 4.01Å; I627-L665 HydrophobicContact CD1-CD2 4.43Å; I627-L665 HydrophobicContact CG1-CD2 3.81Å; L663-L665 HydrophobicContact CD1-CD2 3.99Å; L663-L665 HydrophobicContact CD2-CD1 4.11Å; L663-L665 HydrophobicContact CD2-CD2 4.12Å; L663-L665 HydrophobicContact CD2-CG 4.1Å; L663-L665 HydrophobicContact CG-CD2 4.01Å; L663-L665 HydrophobicContact CG-CG 4.05Å
666	K	92.9	Very high	90.9	Very high	144 Å²	144	80.6 Å²	80.6	63%	0.626	41%	0.408	S	S	*	.			trans	-83.7	131.6	174.9	-173	-177.6	175.4	-176.6	0	109.3	V622 N623 Q668	V622-K666 HydrophobicContact CG1-CB 4.4Å; V622-K666 HydrophobicContact CG1-CD 4.47Å; N623-K666 PolarHBondContact ND2-O 3.35Å; N623-K666 WeakPolarHBondContact OD1-CB 3.41Å; N623-K666 PolarHBondContact OD1-N 3.01Å; N623-K666 PolarHBondContact OD1-O 2.95Å; K666-Q668 PolarHBondContact O-N 3.12Å
667	L	87.6	Confident	91	Very high	124 Å²	124	82.2 Å²	82.2	65%	0.649	42%	0.415	S	S	*	.			trans	-64.4	127.3	169.9	-160.4	84.4	0	0	0	109.5
668	Q	87.6	Confident	90.9	Very high	26 Å²	26	80.5 Å²	80.5	12%	0.121	42%	0.417	C	S	.	.			trans	-111.3	116.4	175.5	-71.8	-170.4	9.4	0	0	109.5	N563 A620 K666 L671	N563-Q668 PolarHBondContact ND2-OE1 3.1Å; A620-Q668 PolarHBondContact O-NE2 3Å; K666-Q668 PolarHBondContact O-N 3.12Å; Q668-L671 HydrophobicContact CB-CD1 3.68Å; Q668-L671 HydrophobicContact CB-CG 4.01Å
669	D	82.6	Confident	90.8	Very high	133 Å²	133	77.3 Å²	77.3	71%	0.711	39%	0.393	S	S	*	.			trans	-85	155.2	178.9	-59.9	-45.5	0	0	0	111.7	L671	D669-L671 PolarHBondContact O-N 2.91Å
670	G	88.3	Confident	90.6	Very high	28 Å²	28	80.2 Å²	80.2	29%	0.289	41%	0.405	S	S	.	.	S	Bend	trans	73.6	8.8	172.4	0	0	0	0	0	115.4	D672 Q673	G670-D672 PolarHBondContact O-N 3.41Å; G670-Q673 WeakPolarHBondContact O-CB 3.27Å; G670-Q673 PolarHBondContact O-N 2.95Å; G670-Q673 VanDerWaalsContact O-N 3.14Å
671	L	93.4	Very high	90.4	Very high	9 Å²	9	82.5 Å²	82.5	5%	0.047	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-25.2	176.1	-74.2	173.9	0	0	0	113.3	H507 N560 N563 M564 Y568 Q668 D669 Q673	H507-L671 PolarHBondContact CE1-O 3.23Å; H507-L671 PolarHBondContact NE2-O 2.65Å; N560-L671 HydrophobicContact CB-CD2 4.14Å; N563-L671 HydrophobicContact CB-CD1 3.74Å; N563-L671 HydrophobicContact CB-CD2 3.8Å; N563-L671 HydrophobicContact CB-CG 4.45Å; M564-L671 HydrophobicContact CG-CB 4.05Å; M564-L671 HydrophobicContact SD-CB 3.65Å; Y568-L671 HydrophobicContact CE2-CB 3.86Å; Y568-L671 HydrophobicContact CE2-CD1 4.31Å; Q668-L671 HydrophobicContact CB-CD1 3.68Å; Q668-L671 HydrophobicContact CB-CG 4.01Å; D669-L671 PolarHBondContact O-N 2.91Å; L671-Q673 VanDerWaalsContact C-N 3.34Å
672	D	91.4	Very high	90.3	Very high	55 Å²	55	81.2 Å²	81.2	29%	0.294	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	7.3	178.1	63.5	-30.5	0	0	0	113.3	C511 K514 M564 G670	C511-D672 PolarHBondContact SG-O 3.01Å; K514-D672 HydrophobicContact CD-CB 3.87Å; K514-D672 IonicContact NZ-OD2 3.87Å; K514-D672 PolarHBondContact NZ-OD2 3.37Å; M564-D672 HydrophobicContact CE-CB 4.3Å; M564-D672 HydrophobicContact SD-CB 4.22Å; G670-D672 PolarHBondContact O-N 3.41Å
673	Q	92.3	Very high	90.3	Very high	148 Å²	148	78.3 Å²	78.3	69%	0.692	40%	0.398	S	S	*	.			trans	-97.3	133.6	176.4	-60.6	177.4	8	0	0	109.6	H507 G670 L671	H507-Q673 PolarHBondContact CE1-O 3.31Å; G670-Q673 WeakPolarHBondContact O-CB 3.27Å; G670-Q673 PolarHBondContact O-N 2.95Å; G670-Q673 VanDerWaalsContact O-N 3.14Å; L671-Q673 VanDerWaalsContact C-N 3.34Å
674	F	92.8	Very high	90.2	Very high	56 Å²	56	77.6 Å²	77.6	25%	0.246	40%	0.396	C	S	.	.			trans	-135.7	154.1	172.7	58.7	-93.4	0	0	0	109.8	E434 K508 C511 R676	E434-F674 HydrophobicContact CG-CE2 3.88Å; E434-F674 HydrophobicContact CG-CZ 4.48Å; K508-F674 HydrophobicContact CD-CD2 4.46Å; K508-F674 HydrophobicContact CD-CE2 4.31Å; K508-F674 HydrophobicContact CG-CD1 4.18Å; K508-F674 HydrophobicContact CG-CD2 3.92Å; K508-F674 HydrophobicContact CG-CE1 4.12Å; K508-F674 HydrophobicContact CG-CE2 3.87Å; K508-F674 HydrophobicContact CG-CG 4.07Å; K508-F674 HydrophobicContact CG-CZ 3.97Å; C511-F674 HydrophobicContact CB-CD1 4.25Å; C511-F674 HydrophobicContact CB-CE1 3.94Å; F674-R676 PolarHBondContact O-N 3.24Å
675	E	89.6	Confident	90.3	Very high	131 Å²	131	75.4 Å²	75.4	61%	0.612	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-73.5	126.1	171.8	-166.3	-175.4	167.3	0	0	109.2	K682	E675-K682 WeakPolarHBondContact OE1-CE 3.38Å; E675-K682 IonicContact OE1-NZ 3.51Å; E675-K682 PolarHBondContact OE1-NZ 3.02Å; E675-K682 IonicContact OE2-NZ 2.67Å; E675-K682 PolarHBondContact OE2-NZ 3.2Å
676	R	92.3	Very high	90.3	Very high	144 Å²	144	73.6 Å²	73.6	54%	0.543	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-62.3	146.6	175.7	-70.5	-70.7	-178.5	172.5	0.6	110.7	E434 F674 S678	E434-R676 PolarHBondContact O-NH1 3.45Å; E434-R676 WeakPolarHBondContact OE2-CA 3.45Å; E434-R676 WeakPolarHBondContact OE2-CD 3.48Å; E434-R676 IonicContact OE2-NH1 3.5Å; F674-R676 PolarHBondContact O-N 3.24Å; R676-S678 PolarHBondContact O-N 2.98Å
677	Y	93.9	Very high	90.4	Very high	35 Å²	35	66.8 Å²	66.8	14%	0.137	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-58.8	130.3	175.4	177.3	-102.6	0	0	0	109.8	Y334 H338 I427 T430 E434 E679 E683	Y334-Y677 HydrophobicContact CE2-CE1 4.09Å; Y334-Y677 WeakPolarHBondContact OH-CE1 3.31Å; Y334-Y677 PolarHBondContact OH-OH 2.69Å; H338-Y677 AromaticContact CE1-CD1 3.83Å; H338-Y677 AromaticContact CE1-CE1 3.73Å; H338-Y677 AromaticContact ND1-CD1 3.98Å; H338-Y677 AromaticContact ND1-CE1 3.88Å; I427-Y677 HydrophobicContact CG2-CE1 4.48Å; I427-Y677 HydrophobicContact CG2-CE2 3.88Å; I427-Y677 WeakPolarHBondContact CG2-OH 3.37Å; T430-Y677 HydrophobicContact CG2-CD2 4.29Å; E434-Y677 VanDerWaalsContact CD-N 3.29Å; E434-Y677 PolarHBondContact OE1-N 3.3Å; E434-Y677 PolarHBondContact OE2-N 3.4Å; Y677-E679 HydrophobicContact CE1-CB 4.31Å; Y677-E683 HydrophobicContact CE2-CG 3.92Å
678	S	90.2	Very high	90.7	Very high	56 Å²	56	65.9 Å²	65.9	39%	0.392	34%	0.342	S	S	.	.			trans	-138.8	115.8	175.3	-170.8	0	0	0	0	108.3	R676 Q680	R676-S678 PolarHBondContact O-N 2.98Å; S678-Q680 VanDerWaalsContact C-N 3.3Å; S678-Q680 PolarHBondContact O-N 3.07Å; S678-Q680 PolarHBondContact OG-O 3.37Å
679	E	90.5	Very high	91	Very high	12 Å²	12	68.7 Å²	68.7	6%	0.056	36%	0.355	C	S	.	.	H	α-helix	trans	-60.4	-41.9	178.8	-170.1	-176.4	118.8	0	0	110.9	K252 Y253 Y334 H338 Y677 K682 E683 A684 F687	K252-E679 WeakPolarHBondContact CD-OE1 3.42Å; K252-E679 WeakPolarHBondContact CE-OE1 3.3Å; K252-E679 WeakPolarHBondContact CE-OE2 3.48Å; K252-E679 VanDerWaalsContact NZ-CD 3.31Å; K252-E679 IonicContact NZ-OE1 3.54Å; K252-E679 PolarHBondContact NZ-OE1 3.39Å; K252-E679 VanDerWaalsContact NZ-OE1 3.09Å; K252-E679 IonicContact NZ-OE2 3.17Å; K252-E679 PolarHBondContact NZ-OE2 3.37Å; Y253-E679 HydrophobicContact CE1-CG 4.38Å; Y253-E679 WeakPolarHBondContact CE1-OE1 3.3Å; Y253-E679 PolarHBondContact OH-OE1 3.12Å; Y334-E679 WeakPolarHBondContact CE1-OE2 3.41Å; Y334-E679 PolarHBondContact OH-OE2 3.23Å; H338-E679 IonicContact CD2-OE2 2.71Å; Y677-E679 HydrophobicContact CE1-CB 4.31Å; E679-K682 PolarHBondContact O-N 2.89Å; E679-E683 HydrophobicContact CG-CB 4.24Å; E679-E683 WeakPolarHBondContact O-CA 3.4Å; E679-E683 WeakPolarHBondContact O-CB 3.29Å; E679-E683 PolarHBondContact O-N 3.35Å; E679-A684 PolarHBondContact O-N 3.34Å; E679-F687 HydrophobicContact CG-CD2 3.79Å; E679-F687 HydrophobicContact CG-CE2 3.85Å
680	Q	87	Confident	91.5	Very high	100 Å²	100	62.7 Å²	62.7	47%	0.467	32%	0.323	S	S	.	.	H	α-helix	trans	-100.4	139.1	172.1	-107.8	-163.5	0.6	0	0	112.1	Y253 S678 A684	Y253-Q680 VanDerWaalsContact CB-NE2 3.28Å; Y253-Q680 HydrophobicContact CD1-CG 3.66Å; Y253-Q680 VanDerWaalsContact CD1-NE2 3.31Å; Y253-Q680 HydrophobicContact CE1-CG 3.94Å; Y253-Q680 HydrophobicContact CG-CG 4.47Å; S678-Q680 VanDerWaalsContact C-N 3.3Å; S678-Q680 PolarHBondContact O-N 3.07Å; S678-Q680 PolarHBondContact OG-O 3.37Å; Q680-A684 HydrophobicContact CG-CB 4.06Å
681	P	84.8	Confident	91.8	Very high	117 Å²	117	61.7 Å²	61.7	76%	0.76	31%	0.311	S	S	*	.	H	α-helix	cis	-86	-2.7	-3.6	34.2	-35.3	0	0	0	114.3
682	K	87.4	Confident	91.8	Very high	108 Å²	108	65.7 Å²	65.7	47%	0.47	33%	0.326	S	S	.	.	H	α-helix	trans	-72.4	-39	-161.7	-66.1	-179.6	177.6	178.1	0	115	E675 E679	E675-K682 WeakPolarHBondContact OE1-CE 3.38Å; E675-K682 IonicContact OE1-NZ 3.51Å; E675-K682 PolarHBondContact OE1-NZ 3.02Å; E675-K682 IonicContact OE2-NZ 2.67Å; E675-K682 PolarHBondContact OE2-NZ 3.2Å; E679-K682 PolarHBondContact O-N 2.89Å
683	E	92.7	Very high	91.8	Very high	10 Å²	10	64.9 Å²	64.9	5%	0.047	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-7	-173.5	-52.3	-61	168.2	0	0	113.2	R423 I427 R501 Y677 E679 A685 F686 F687	R423-E683 IonicContact CZ-OE2 2.77Å; R423-E683 IonicContact NE-OE2 2.83Å; R423-E683 IonicContact NH2-OE2 3.72Å; R423-E683 PolarHBondContact NH2-OE2 3.45Å; I427-E683 HydrophobicContact CD1-CG 4.43Å; R501-E683 IonicContact CZ-OE1 3.76Å; R501-E683 IonicContact NH1-OE1 2.7Å; R501-E683 PolarHBondContact NH1-OE1 2.88Å; R501-E683 VanDerWaalsContact NH2-CD 3.34Å; R501-E683 IonicContact NH2-OE1 3.44Å; R501-E683 PolarHBondContact NH2-OE1 2.98Å; R501-E683 IonicContact NH2-OE2 3.79Å; R501-E683 PolarHBondContact NH2-OE2 3.02Å; Y677-E683 HydrophobicContact CE2-CG 3.92Å; E679-E683 HydrophobicContact CG-CB 4.24Å; E679-E683 WeakPolarHBondContact O-CA 3.4Å; E679-E683 WeakPolarHBondContact O-CB 3.29Å; E679-E683 PolarHBondContact O-N 3.35Å; E683-A685 VanDerWaalsContact C-N 3.27Å; E683-A685 PolarHBondContact O-N 3.44Å; E683-A685 VanDerWaalsContact O-N 3.16Å; E683-F686 WeakPolarHBondContact O-CA 3.43Å; E683-F686 WeakPolarHBondContact O-CB 3.35Å; E683-F686 PolarHBondContact O-N 3.13Å; E683-F687 HydrophobicContact CB-CD2 3.68Å; E683-F687 HydrophobicContact CB-CE2 3.68Å; E683-F687 HydrophobicContact CG-CE2 4.42Å; E683-F687 WeakPolarHBondContact O-CD2 3.46Å; E683-F687 PolarHBondContact O-N 3.26Å
684	A	91.9	Very high	91.9	Very high	13 Å²	13	58 Å²	58	11%	0.107	29%	0.292	C	S	.	.	H	α-helix	trans	-56.4	-37.3	-173.9	0	0	0	0	0	113.7	Y253 E679 Q680 K688	Y253-A684 HydrophobicContact CD2-CB 4.26Å; Y253-A684 HydrophobicContact CE1-CB 4.15Å; Y253-A684 HydrophobicContact CE2-CB 3.86Å; E679-A684 PolarHBondContact O-N 3.34Å; Q680-A684 HydrophobicContact CG-CB 4.06Å; A684-K688 WeakPolarHBondContact O-CB 3.48Å; A684-K688 WeakPolarHBondContact O-CG 3.27Å; A684-K688 PolarHBondContact O-N 3.4Å; A684-K688 VanDerWaalsContact O-N 3.11Å
685	A	92.4	Very high	91.8	Very high	78 Å²	78	55.4 Å²	55.4	65%	0.645	28%	0.281	S	S	*	.	H	α-helix	trans	-68.9	-40.1	176.1	0	0	0	0	0	112.2	E683 E689	E683-A685 VanDerWaalsContact C-N 3.27Å; E683-A685 PolarHBondContact O-N 3.44Å; E683-A685 VanDerWaalsContact O-N 3.16Å; A685-E689 PolarHBondContact O-N 3.24Å
686	F	94.6	Very high	91.9	Very high	18 Å²	18	51.2 Å²	51.2	8%	0.079	26%	0.262	C	S	.	.	H	α-helix	trans	-63.8	-49.4	177.4	167.7	-104.8	0	0	0	111.1	N420 R423 L424 I427 E683 K688 E689 L690	N420-F686 HydrophobicContact CB-CE2 3.93Å; R423-F686 HydrophobicContact CB-CE2 4.43Å; R423-F686 HydrophobicContact CB-CZ 4.32Å; R423-F686 HydrophobicContact CG-CE2 4.37Å; R423-F686 HydrophobicContact CG-CZ 4.26Å; L424-F686 HydrophobicContact CB-CZ 4.28Å; L424-F686 HydrophobicContact CD1-CE1 4.44Å; I427-F686 HydrophobicContact CD1-CD1 4.07Å; I427-F686 HydrophobicContact CD1-CE1 3.84Å; E683-F686 WeakPolarHBondContact O-CA 3.43Å; E683-F686 WeakPolarHBondContact O-CB 3.35Å; E683-F686 PolarHBondContact O-N 3.13Å; F686-K688 PolarHBondContact O-N 2.91Å; F686-E689 PolarHBondContact O-N 3.46Å; F686-L690 HydrophobicContact CE1-CD2 4.17Å; F686-L690 HydrophobicContact CZ-CD2 4.24Å; F686-L690 WeakPolarHBondContact O-CB 3.39Å; F686-L690 PolarHBondContact O-N 2.91Å
687	F	95.7	Very high	91.7	Very high	1 Å²	1	46.8 Å²	46.8	0%	0.004	25%	0.25	C	C	.	.	H	α-helix	trans	-65.4	-36.5	178.9	-79.5	-71.4	0	0	0	113	Y253 L331 Y334 L424 I427 E679 E683 E689 L690 V691	Y253-F687 WeakPolarHBondContact OH-CB 3.47Å; L331-F687 HydrophobicContact CD1-CD1 3.91Å; L331-F687 HydrophobicContact CD1-CE1 3.9Å; Y334-F687 AromaticContact CD1-CE1 3.55Å; Y334-F687 HydrophobicContact CD1-CE1 3.55Å; Y334-F687 AromaticContact CD1-CZ 3.63Å; Y334-F687 HydrophobicContact CD1-CZ 3.63Å; Y334-F687 HydrophobicContact CD2-CZ 4.15Å; Y334-F687 HydrophobicContact CE1-CD1 4.42Å; Y334-F687 AromaticContact CE1-CE1 3.53Å; Y334-F687 HydrophobicContact CE1-CE1 3.53Å; Y334-F687 AromaticContact CE1-CE2 3.98Å; Y334-F687 HydrophobicContact CE1-CE2 3.98Å; Y334-F687 AromaticContact CE1-CZ 3.27Å; Y334-F687 HydrophobicContact CE1-CZ 3.27Å; Y334-F687 HydrophobicContact CE2-CE2 4.49Å; Y334-F687 AromaticContact CE2-CZ 3.83Å; Y334-F687 HydrophobicContact CE2-CZ 3.83Å; Y334-F687 HydrophobicContact CG-CE1 4.17Å; Y334-F687 HydrophobicContact CG-CZ 4.06Å; Y334-F687 AromaticContact CZ-CE2 3.86Å; Y334-F687 AromaticContact CZ-CZ 3.38Å; L424-F687 HydrophobicContact CD1-CE1 3.94Å; L424-F687 HydrophobicContact CD1-CZ 4.15Å; I427-F687 HydrophobicContact CD1-CZ 4.49Å; I427-F687 HydrophobicContact CG2-CZ 4.38Å; E679-F687 HydrophobicContact CG-CD2 3.79Å; E679-F687 HydrophobicContact CG-CE2 3.85Å; E683-F687 HydrophobicContact CB-CD2 3.68Å; E683-F687 HydrophobicContact CB-CE2 3.68Å; E683-F687 HydrophobicContact CG-CE2 4.42Å; E683-F687 WeakPolarHBondContact O-CD2 3.46Å; E683-F687 PolarHBondContact O-N 3.26Å; F687-E689 VanDerWaalsContact C-N 3.31Å; F687-E689 PolarHBondContact O-N 3.45Å; F687-L690 HydrophobicContact CD1-CD2 4.05Å; F687-L690 HydrophobicContact CE1-CD2 4.23Å; F687-L690 PolarHBondContact O-N 2.83Å; F687-V691 WeakPolarHBondContact O-CB 3.43Å; F687-V691 WeakPolarHBondContact O-CG2 3.39Å; F687-V691 PolarHBondContact O-N 3.23Å
688	K	93.2	Very high	91.5	Very high	105 Å²	105	45.9 Å²	45.9	46%	0.457	25%	0.247	S	C	.	.	H	α-helix	trans	-58	-44.2	173.6	-79.1	177.3	-177.4	-168.2	0	112	Y253 A684 F686 R692	Y253-K688 HydrophobicContact CD2-CG 4.47Å; Y253-K688 HydrophobicContact CE2-CG 4.2Å; A684-K688 WeakPolarHBondContact O-CB 3.48Å; A684-K688 WeakPolarHBondContact O-CG 3.27Å; A684-K688 PolarHBondContact O-N 3.4Å; A684-K688 VanDerWaalsContact O-N 3.11Å; F686-K688 PolarHBondContact O-N 2.91Å; K688-R692 WeakPolarHBondContact O-CB 3.42Å; K688-R692 PolarHBondContact O-N 2.87Å
689	E	93.1	Very high	91.4	Very high	86 Å²	86	45.2 Å²	45.2	40%	0.402	24%	0.236	S	C	.	.	H	α-helix	trans	-73	-41.5	179.7	-176.1	51.7	-145.2	0	0	112.1	A685 F686 F687 R692 S693	A685-E689 PolarHBondContact O-N 3.24Å; F686-E689 PolarHBondContact O-N 3.46Å; F687-E689 VanDerWaalsContact C-N 3.31Å; F687-E689 PolarHBondContact O-N 3.45Å; E689-R692 WeakPolarHBondContact O-CB 3.2Å; E689-R692 PolarHBondContact O-N 3.03Å; E689-R692 IonicContact OE1-CZ 3.26Å; E689-R692 IonicContact OE1-NE 3.98Å; E689-R692 PolarHBondContact OE1-NE 3.26Å; E689-R692 VanDerWaalsContact OE1-NE 3.14Å; E689-R692 IonicContact OE1-NH2 3.76Å; E689-R692 PolarHBondContact OE1-NH2 3.45Å; E689-R692 IonicContact OE2-CZ 2.71Å; E689-R692 IonicContact OE2-NE 3.46Å; E689-R692 PolarHBondContact OE2-NE 3.35Å; E689-R692 IonicContact OE2-NH2 2.78Å; E689-S693 PolarHBondContact O-N 2.94Å
690	L	94.1	Very high	91.1	Very high	7 Å²	7	53 Å²	53	4%	0.037	27%	0.27	C	S	.	.	H	α-helix	trans	-58.8	-49.1	174.9	178.7	67.5	0	0	0	111.7	E327 L331 L424 F686 F687 R692 S693 I694	E327-L690 HydrophobicContact CB-CD1 4.05Å; E327-L690 HydrophobicContact CG-CD1 4.1Å; L331-L690 HydrophobicContact CD1-CD2 4.3Å; L424-L690 HydrophobicContact CD1-CD2 4.4Å; L424-L690 HydrophobicContact CD2-CD2 3.75Å; F686-L690 HydrophobicContact CE1-CD2 4.17Å; F686-L690 HydrophobicContact CZ-CD2 4.24Å; F686-L690 WeakPolarHBondContact O-CB 3.39Å; F686-L690 PolarHBondContact O-N 2.91Å; F687-L690 HydrophobicContact CD1-CD2 4.05Å; F687-L690 HydrophobicContact CE1-CD2 4.23Å; F687-L690 PolarHBondContact O-N 2.83Å; L690-R692 VanDerWaalsContact C-N 3.27Å; L690-R692 PolarHBondContact O-N 3.44Å; L690-S693 WeakPolarHBondContact O-CB 3.41Å; L690-S693 PolarHBondContact O-N 3.34Å; L690-S693 VanDerWaalsContact O-N 3.16Å; L690-I694 HydrophobicContact CD1-CD1 4.07Å; L690-I694 HydrophobicContact CD1-CG1 4.47Å; L690-I694 HydrophobicContact CD2-CD1 4.44Å; L690-I694 HydrophobicContact CG-CD1 3.81Å; L690-I694 WeakPolarHBondContact O-CG1 3.36Å; L690-I694 PolarHBondContact O-N 2.92Å
691	V	95	Very high	90.9	Very high	7 Å²	7	53.4 Å²	53.4	4%	0.042	28%	0.275	C	S	.	.	H	α-helix	trans	-64.2	-34.8	179.1	173	0	0	0	0	111.1	I205 L246 N249 L331 F687 I694 S695	I205-V691 HydrophobicContact CB-CG1 4.39Å; I205-V691 HydrophobicContact CG2-CG1 3.65Å; L246-V691 HydrophobicContact CD2-CG1 4.34Å; N249-V691 HydrophobicContact CB-CG1 4.18Å; N249-V691 HydrophobicContact CB-CG2 3.83Å; L331-V691 HydrophobicContact CD2-CG2 3.85Å; F687-V691 WeakPolarHBondContact O-CB 3.43Å; F687-V691 WeakPolarHBondContact O-CG2 3.39Å; F687-V691 PolarHBondContact O-N 3.23Å; V691-I694 PolarHBondContact O-N 3.21Å; V691-S695 VanDerWaalsContact O-CB 3.25Å; V691-S695 WeakPolarHBondContact O-CB 3.33Å; V691-S695 PolarHBondContact O-N 3.12Å
692	R	93.2	Very high	90.7	Very high	93 Å²	93	48.4 Å²	48.4	35%	0.351	24%	0.243	S	C	.	.	H	α-helix	trans	-62.8	-46.7	172.5	-169.3	-172.8	72.8	76.5	-3.3	111.2	D203 K688 E689 L690 S695 L696	D203-R692 WeakPolarHBondContact O-CG 3.25Å; K688-R692 WeakPolarHBondContact O-CB 3.42Å; K688-R692 PolarHBondContact O-N 2.87Å; E689-R692 WeakPolarHBondContact O-CB 3.2Å; E689-R692 PolarHBondContact O-N 3.03Å; E689-R692 IonicContact OE1-CZ 3.26Å; E689-R692 IonicContact OE1-NE 3.98Å; E689-R692 PolarHBondContact OE1-NE 3.26Å; E689-R692 VanDerWaalsContact OE1-NE 3.14Å; E689-R692 IonicContact OE1-NH2 3.76Å; E689-R692 PolarHBondContact OE1-NH2 3.45Å; E689-R692 IonicContact OE2-CZ 2.71Å; E689-R692 IonicContact OE2-NE 3.46Å; E689-R692 PolarHBondContact OE2-NE 3.35Å; E689-R692 IonicContact OE2-NH2 2.78Å; L690-R692 VanDerWaalsContact C-N 3.27Å; L690-R692 PolarHBondContact O-N 3.44Å; R692-S695 PolarHBondContact O-N 3Å; R692-L696 WeakPolarHBondContact O-CG 3.29Å; R692-L696 PolarHBondContact O-N 3.3Å; R692-L696 VanDerWaalsContact O-N 3.11Å
693	S	92.2	Very high	89.8	Confident	38 Å²	38	45.8 Å²	45.8	27%	0.266	24%	0.238	S	C	.	.	H	α-helix	trans	-58.9	-48.8	175.1	-179.6	0	0	0	0	111.7	E689 L690 S695 L696 N697	E689-S693 PolarHBondContact O-N 2.94Å; L690-S693 WeakPolarHBondContact O-CB 3.41Å; L690-S693 PolarHBondContact O-N 3.34Å; L690-S693 VanDerWaalsContact O-N 3.16Å; S693-S695 PolarHBondContact O-N 2.97Å; S693-L696 PolarHBondContact O-N 3.47Å; S693-N697 WeakPolarHBondContact O-CB 3.33Å; S693-N697 PolarHBondContact O-N 3.41Å
694	I	92.6	Very high	88.6	Confident	4 Å²	4	45.5 Å²	45.5	2%	0.021	24%	0.237	C	C	.	.	H	α-helix	trans	-61.6	-46	178.6	-67.6	164.1	0	0	0	110.8	L246 E327 A328 L331 L690 V691 L696 N697 V698	L246-I694 HydrophobicContact CD2-CG2 4.07Å; E327-I694 HydrophobicContact CB-CD1 4.03Å; E327-I694 HydrophobicContact CB-CG1 3.81Å; E327-I694 WeakPolarHBondContact O-CD1 3.5Å; A328-I694 HydrophobicContact CB-CG2 3.75Å; L331-I694 HydrophobicContact CB-CD1 3.84Å; L331-I694 HydrophobicContact CD2-CD1 3.61Å; L331-I694 HydrophobicContact CG-CD1 4.33Å; L690-I694 HydrophobicContact CD1-CD1 4.07Å; L690-I694 HydrophobicContact CD1-CG1 4.47Å; L690-I694 HydrophobicContact CD2-CD1 4.44Å; L690-I694 HydrophobicContact CG-CD1 3.81Å; L690-I694 WeakPolarHBondContact O-CG1 3.36Å; L690-I694 PolarHBondContact O-N 2.92Å; V691-I694 PolarHBondContact O-N 3.21Å; I694-L696 VanDerWaalsContact C-N 3.29Å; I694-L696 PolarHBondContact O-N 3.45Å; I694-N697 PolarHBondContact O-N 2.88Å; I694-N697 VanDerWaalsContact O-N 3.13Å; I694-V698 HydrophobicContact CG2-CG2 3.99Å; I694-V698 WeakPolarHBondContact O-CB 3.5Å; I694-V698 VanDerWaalsContact O-CG2 3.3Å; I694-V698 WeakPolarHBondContact O-CG2 3.47Å; I694-V698 PolarHBondContact O-N 2.95Å
695	S	92.3	Very high	86.9	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-55.5	-45.3	177.4	-179.2	0	0	0	0	111.5	V691 R692 S693 R699	V691-S695 VanDerWaalsContact O-CB 3.25Å; V691-S695 WeakPolarHBondContact O-CB 3.33Å; V691-S695 PolarHBondContact O-N 3.12Å; R692-S695 PolarHBondContact O-N 3Å; S693-S695 PolarHBondContact O-N 2.97Å; S695-R699 VanDerWaalsContact O-CB 3.3Å; S695-R699 WeakPolarHBondContact O-CB 3.28Å; S695-R699 PolarHBondContact O-N 2.94Å
696	L	90	Very high	84.8	Confident	43 Å²	43	51.9 Å²	51.9	23%	0.225	26%	0.261	C	S	.	.	H	α-helix	trans	-65.1	-41.8	176.5	-69.8	171.7	0	0	0	112.7	D203 R692 S693 I694 K700	D203-L696 WeakPolarHBondContact OD1-CD2 3.29Å; R692-L696 WeakPolarHBondContact O-CG 3.29Å; R692-L696 PolarHBondContact O-N 3.3Å; R692-L696 VanDerWaalsContact O-N 3.11Å; S693-L696 PolarHBondContact O-N 3.47Å; I694-L696 VanDerWaalsContact C-N 3.29Å; I694-L696 PolarHBondContact O-N 3.45Å; L696-K700 WeakPolarHBondContact O-CG 3.47Å; L696-K700 PolarHBondContact O-N 3.17Å; L696-K700 VanDerWaalsContact O-N 3.16Å
697	N	89.1	Confident	83	Confident	52 Å²	52	51.9 Å²	51.9	28%	0.278	26%	0.262	S	S	.	.	H	α-helix	trans	-65.7	-49.7	179.4	-174.8	-57.5	0	0	0	111.2	Q324 S693 I694 R699 K700 N701	Q324-N697 PolarHBondContact NE2-ND2 3.34Å; S693-N697 WeakPolarHBondContact O-CB 3.33Å; S693-N697 PolarHBondContact O-N 3.41Å; I694-N697 PolarHBondContact O-N 2.88Å; I694-N697 VanDerWaalsContact O-N 3.13Å; N697-R699 VanDerWaalsContact C-N 3.34Å; N697-R699 PolarHBondContact O-N 3.43Å; N697-K700 PolarHBondContact O-N 3.45Å; N697-N701 WeakPolarHBondContact O-CB 3.27Å; N697-N701 PolarHBondContact O-N 3.27Å; N697-N701 PolarHBondContact O-ND2 3.44Å; N697-N701 PolarHBondContact OD1-ND2 3Å
698	V	90.3	Very high	81.1	Confident	15 Å²	15	54.4 Å²	54.4	9%	0.091	28%	0.28	C	S	.	.	H	α-helix	trans	-55.9	-50.6	175.9	170.1	0	0	0	0	109.6	L196 T200 V242 I694 K700 N701 V702	L196-V698 HydrophobicContact CB-CG1 4.27Å; L196-V698 HydrophobicContact CD1-CG1 4.48Å; L196-V698 HydrophobicContact CD2-CG1 4.05Å; T200-V698 HydrophobicContact CG2-CB 4.23Å; T200-V698 HydrophobicContact CG2-CG1 3.97Å; V242-V698 HydrophobicContact CG1-CG2 3.73Å; I694-V698 HydrophobicContact CG2-CG2 3.99Å; I694-V698 WeakPolarHBondContact O-CB 3.5Å; I694-V698 VanDerWaalsContact O-CG2 3.3Å; I694-V698 WeakPolarHBondContact O-CG2 3.47Å; I694-V698 PolarHBondContact O-N 2.95Å; V698-K700 VanDerWaalsContact C-N 3.28Å; V698-K700 PolarHBondContact O-N 2.91Å; V698-N701 CarbonylContact O-C 3.58Å; V698-N701 PolarHBondContact O-N 3.08Å; V698-V702 HydrophobicContact CG1-CG2 4.1Å; V698-V702 WeakPolarHBondContact O-CG2 3.18Å; V698-V702 PolarHBondContact O-N 3.3Å
699	R	87.3	Confident	79.4	Confident	43 Å²	43	52.5 Å²	52.5	16%	0.162	27%	0.273	C	S	.	.	H	α-helix	trans	-55	-41.7	179.6	-168.1	-168.2	-58.7	146.7	5.8	112.9	H143 T200 T202 D203 S695 N697	H143-R699 VanDerWaalsContact CE1-CZ 3.46Å; H143-R699 PolarHBondContact CE1-NH1 3.2Å; H143-R699 PolarHBondContact NE2-NH1 2.91Å; T200-R699 PolarHBondContact O-NE 3.27Å; T200-R699 PolarHBondContact O-NH2 3.31Å; T202-R699 PolarHBondContact O-NH2 3.01Å; D203-R699 IonicContact OD1-CZ 3.74Å; D203-R699 VanDerWaalsContact OD1-CZ 3.32Å; D203-R699 IonicContact OD1-NH1 3.27Å; D203-R699 PolarHBondContact OD1-NH1 3.36Å; D203-R699 IonicContact OD1-NH2 3.14Å; D203-R699 PolarHBondContact OD1-NH2 3.12Å; S695-R699 VanDerWaalsContact O-CB 3.3Å; S695-R699 WeakPolarHBondContact O-CB 3.28Å; S695-R699 PolarHBondContact O-N 2.94Å; N697-R699 VanDerWaalsContact C-N 3.34Å; N697-R699 PolarHBondContact O-N 3.43Å
700	K	84.8	Confident	77.5	Confident	174 Å²	174	53.9 Å²	53.9	76%	0.757	28%	0.283	S	S	*	.	H	α-helix	trans	-68.2	-34.6	177.5	-73.1	174.5	-177.9	178.8	0	112.7	L696 N697 V698	L696-K700 WeakPolarHBondContact O-CG 3.47Å; L696-K700 PolarHBondContact O-N 3.17Å; L696-K700 VanDerWaalsContact O-N 3.16Å; N697-K700 PolarHBondContact O-N 3.45Å; V698-K700 VanDerWaalsContact C-N 3.28Å; V698-K700 PolarHBondContact O-N 2.91Å
701	N	82.6	Confident	76.2	Confident	109 Å²	109	56.6 Å²	56.6	58%	0.583	30%	0.299	S	S	*	.	H	α-helix	trans	-90.8	-13.3	-173.8	-74.2	-34.6	0	0	0	114.2	N697 V698 S703	N697-N701 WeakPolarHBondContact O-CB 3.27Å; N697-N701 PolarHBondContact O-N 3.27Å; N697-N701 PolarHBondContact O-ND2 3.44Å; N697-N701 PolarHBondContact OD1-ND2 3Å; V698-N701 CarbonylContact O-C 3.58Å; V698-N701 PolarHBondContact O-N 3.08Å; N701-S703 PolarHBondContact O-N 3.11Å
702	V	81.1	Confident	74.7	Confident	12 Å²	12	56.7 Å²	56.7	7%	0.073	30%	0.3	C	S	.	.			trans	-63.4	103.3	171.7	-174.5	0	0	0	0	108.7	R140 K193 L196 V698	R140-V702 PolarHBondContact NH1-O 2.98Å; R140-V702 PolarHBondContact NH2-O 3.49Å; K193-V702 HydrophobicContact CB-CG1 3.77Å; K193-V702 HydrophobicContact CD-CG1 4.48Å; K193-V702 HydrophobicContact CG-CG1 3.88Å; L196-V702 HydrophobicContact CB-CG2 4.05Å; L196-V702 HydrophobicContact CD1-CG2 4.46Å; V698-V702 HydrophobicContact CG1-CG2 4.1Å; V698-V702 WeakPolarHBondContact O-CG2 3.18Å; V698-V702 PolarHBondContact O-N 3.3Å
703	S	68.6	Low	73.3	Confident	53 Å²	53	56.2 Å²	56.2	37%	0.371	30%	0.304	S	S	.	.			trans	-94.4	119.8	176.1	177.1	0	0	0	0	111	K193 N701 T706	K193-S703 WeakPolarHBondContact CD-O 3.46Å; K193-S703 WeakPolarHBondContact CE-O 3.24Å; K193-S703 PolarHBondContact NZ-O 3.29Å; K193-S703 VanDerWaalsContact NZ-O 3.07Å; N701-S703 PolarHBondContact O-N 3.11Å; S703-T706 PolarHBondContact O-OG1 3.46Å
704	L	67.2	Low	71.8	Confident	5 Å²	5	61.7 Å²	61.7	3%	0.026	32%	0.323	C	S	.	.	S	Bend	trans	-89.6	-17.7	174.8	-62.1	173	0	0	0	112.8	L87 C136 R140 L190 K193 T706	L87-L704 HydrophobicContact CD1-CB 3.57Å; L87-L704 HydrophobicContact CD1-CD1 4.15Å; L87-L704 HydrophobicContact CD2-CD1 4.14Å; C136-L704 HydrophobicContact CB-CD1 3.52Å; C136-L704 HydrophobicContact CB-CD2 3.58Å; C136-L704 HydrophobicContact CB-CG 4.2Å; R140-L704 VanDerWaalsContact CZ-CG 3.48Å; R140-L704 VanDerWaalsContact NH1-CD1 3.32Å; L190-L704 HydrophobicContact CD1-CD2 4.24Å; K193-L704 HydrophobicContact CB-CD2 4.43Å; L704-T706 PolarHBondContact O-N 2.95Å
705	N	54.9	Low	70.6	Confident	136 Å²	136	64.1 Å²	64.1	73%	0.727	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-5.1	-175.8	-70.4	-14.5	0	0	0	113.7	L707	N705-L707 VanDerWaalsContact C-N 3.31Å; N705-L707 PolarHBondContact O-N 2.89Å
706	T	48.8	Very low	69.5	Low	88 Å²	88	65.8 Å²	65.8	54%	0.54	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-13.2	-174	28.1	0	0	0	0	114.2	K193 S703 L704 S708	K193-T706 PolarHBondContact NZ-OG1 2.9Å; S703-T706 PolarHBondContact O-OG1 3.46Å; L704-T706 PolarHBondContact O-N 2.95Å; T706-S708 PolarHBondContact O-N 3.31Å
707	L	56.7	Low	67.9	Low	19 Å²	19	67.4 Å²	67.4	10%	0.099	36%	0.357	C	S	.	.			trans	-94.7	82.8	172.8	-78.1	130.5	0	0	0	109.9	S186 L190 N705 Q709 L712	S186-L707 VanDerWaalsContact CB-CD2 3.48Å; L190-L707 HydrophobicContact CB-CD1 4.06Å; L190-L707 HydrophobicContact CD1-CD1 4.09Å; L190-L707 HydrophobicContact CD2-CD1 4.46Å; L190-L707 HydrophobicContact CG-CD1 4.43Å; N705-L707 VanDerWaalsContact C-N 3.31Å; N705-L707 PolarHBondContact O-N 2.89Å; L707-Q709 PolarHBondContact O-N 3.44Å; L707-L712 HydrophobicContact CB-CD1 4.12Å; L707-L712 HydrophobicContact CD2-CD1 3.97Å; L707-L712 HydrophobicContact CD2-CD2 3.56Å; L707-L712 HydrophobicContact CD2-CG 3.75Å
708	S	55.9	Low	66.3	Low	53 Å²	53	70.4 Å²	70.4	37%	0.371	38%	0.377	S	S	.	.			trans	-61.2	133.4	166.2	74.6	0	0	0	0	108.4	T706 D710 V711 L712	T706-S708 PolarHBondContact O-N 3.31Å; S708-D710 PolarHBondContact O-N 3.47Å; S708-V711 PolarHBondContact O-N 2.82Å; S708-V711 VanDerWaalsContact OG-CG2 3.25Å; S708-V711 WeakPolarHBondContact OG-CG2 3.35Å; S708-V711 PolarHBondContact OG-N 3.39Å; S708-L712 PolarHBondContact O-N 3.16Å
709	Q	57.3	Low	64.5	Low	65 Å²	65	75.1 Å²	75.1	30%	0.304	40%	0.4	S	S	.	.	H	α-helix	trans	-55.2	-26.2	179.1	-161.6	172.9	-1.1	0	0	111.5	L707 L712 L713	L707-Q709 PolarHBondContact O-N 3.44Å; Q709-L712 PolarHBondContact O-N 3.1Å; Q709-L713 HydrophobicContact CG-CD1 4.24Å; Q709-L713 WeakPolarHBondContact O-CB 3.34Å; Q709-L713 WeakPolarHBondContact O-CD1 3.49Å; Q709-L713 WeakPolarHBondContact O-CG 3.48Å; Q709-L713 PolarHBondContact O-N 3.4Å
710	D	54.5	Low	62.1	Low	115 Å²	115	81 Å²	81	62%	0.615	45%	0.448	S	S	*	.	H	α-helix	trans	-69	-33.9	175.8	-59.3	-41.8	0	0	0	113.9	S708 K714	S708-D710 PolarHBondContact O-N 3.47Å; D710-K714 WeakPolarHBondContact O-CB 3.43Å; D710-K714 WeakPolarHBondContact O-CG 3.38Å; D710-K714 PolarHBondContact O-N 2.89Å; D710-K714 VanDerWaalsContact O-N 3.13Å
711	V	65	Low	60.9	Low	64 Å²	64	76.3 Å²	76.3	39%	0.388	43%	0.432	S	S	.	.	H	α-helix	trans	-71.1	-44	174.3	169.4	0	0	0	0	109.8	S708 K714 E715	S708-V711 PolarHBondContact O-N 2.82Å; S708-V711 VanDerWaalsContact OG-CG2 3.25Å; S708-V711 WeakPolarHBondContact OG-CG2 3.35Å; S708-V711 PolarHBondContact OG-N 3.39Å; V711-K714 PolarHBondContact O-N 2.94Å; V711-E715 PolarHBondContact O-N 2.71Å
712	L	65.1	Low	59.8	Low	10 Å²	10	74.6 Å²	74.6	5%	0.052	42%	0.424	C	S	.	.	H	α-helix	trans	-61.6	-45.1	175.9	-75.8	167.2	0	0	0	112.3	V129 L707 S708 Q709 K714 E715 F716	V129-L712 HydrophobicContact CB-CD1 4.37Å; V129-L712 HydrophobicContact CG1-CD1 3.56Å; V129-L712 HydrophobicContact CG2-CD1 4.03Å; V129-L712 HydrophobicContact CG2-CD2 3.93Å; L707-L712 HydrophobicContact CB-CD1 4.12Å; L707-L712 HydrophobicContact CD2-CD1 3.97Å; L707-L712 HydrophobicContact CD2-CD2 3.56Å; L707-L712 HydrophobicContact CD2-CG 3.75Å; S708-L712 PolarHBondContact O-N 3.16Å; Q709-L712 PolarHBondContact O-N 3.1Å; L712-K714 VanDerWaalsContact C-N 3.26Å; L712-K714 PolarHBondContact O-N 3.33Å; L712-E715 PolarHBondContact O-N 2.84Å; L712-F716 HydrophobicContact CB-CD2 4.23Å; L712-F716 HydrophobicContact CB-CE2 3.83Å; L712-F716 HydrophobicContact CD2-CE2 3.76Å; L712-F716 HydrophobicContact CD2-CZ 3.78Å; L712-F716 HydrophobicContact CG-CE2 4.36Å; L712-F716 WeakPolarHBondContact O-CB 3.38Å; L712-F716 WeakPolarHBondContact O-CD2 3.19Å; L712-F716 VanDerWaalsContact O-CG 3.23Å; L712-F716 WeakPolarHBondContact O-CG 3.47Å; L712-F716 PolarHBondContact O-N 3.07Å
713	L	62.4	Low	58.6	Low	82 Å²	82	78.1 Å²	78.1	43%	0.429	44%	0.444	S	S	.	.	H	α-helix	trans	-65	-29.4	176.3	-71.9	168.1	0	0	0	112.5	I126 Q709 S717	I126-L713 HydrophobicContact CD1-CD2 4.15Å; Q709-L713 HydrophobicContact CG-CD1 4.24Å; Q709-L713 WeakPolarHBondContact O-CB 3.34Å; Q709-L713 WeakPolarHBondContact O-CD1 3.49Å; Q709-L713 WeakPolarHBondContact O-CG 3.48Å; Q709-L713 PolarHBondContact O-N 3.4Å; L713-S717 VanDerWaalsContact O-CB 3.26Å; L713-S717 WeakPolarHBondContact O-CB 3.18Å; L713-S717 PolarHBondContact O-N 3.36Å; L713-S717 VanDerWaalsContact O-N 3.14Å; L713-S717 PolarHBondContact O-OG 3Å
714	K	61.6	Low	58	Low	154 Å²	154	79.5 Å²	79.5	67%	0.67	45%	0.448	S	S	*	.	H	α-helix	trans	-74.5	-40.6	172.7	-81.4	179.9	178	-179.3	0	112.7	D710 V711 L712 S717 T718	D710-K714 WeakPolarHBondContact O-CB 3.43Å; D710-K714 WeakPolarHBondContact O-CG 3.38Å; D710-K714 PolarHBondContact O-N 2.89Å; D710-K714 VanDerWaalsContact O-N 3.13Å; V711-K714 PolarHBondContact O-N 2.94Å; L712-K714 VanDerWaalsContact C-N 3.26Å; L712-K714 PolarHBondContact O-N 3.33Å; K714-S717 WeakPolarHBondContact CA-OG 3.22Å; K714-S717 PolarHBondContact O-OG 2.63Å; K714-T718 WeakPolarHBondContact O-CG2 3.37Å; K714-T718 PolarHBondContact O-N 3.17Å; K714-T718 PolarHBondContact O-OG1 3.31Å
715	E	67.3	Low	57.4	Low	54 Å²	54	84.2 Å²	84.2	25%	0.252	47%	0.474	S	S	.	.	H	α-helix	trans	-66.5	-45.6	175	-76.2	-177.1	-171.9	0	0	111.4	S186 V711 L712 S717 T718 I719	S186-E715 WeakPolarHBondContact CB-OE2 3.44Å; S186-E715 PolarHBondContact OG-OE1 3.1Å; S186-E715 PolarHBondContact OG-OE2 3.08Å; V711-E715 PolarHBondContact O-N 2.71Å; L712-E715 PolarHBondContact O-N 2.84Å; E715-S717 VanDerWaalsContact C-N 3.29Å; E715-S717 PolarHBondContact O-N 3.06Å; E715-T718 WeakPolarHBondContact CA-OG1 3.35Å; E715-T718 PolarHBondContact O-N 3.29Å; E715-T718 VanDerWaalsContact O-N 3.13Å; E715-T718 PolarHBondContact O-OG1 3.31Å; E715-I719 WeakPolarHBondContact O-CD1 3.47Å; E715-I719 WeakPolarHBondContact O-CG1 3.41Å; E715-I719 PolarHBondContact O-N 3.06Å
716	F	68.2	Low	57.6	Low	35 Å²	35	80.7 Å²	80.7	15%	0.154	46%	0.458	C	S	.	.	H	α-helix	trans	-69.8	-25.5	179.4	-60.1	-44.4	0	0	0	113.4	Q125 V129 L187 L712 T718 S720	Q125-F716 HydrophobicContact CB-CD1 3.88Å; Q125-F716 HydrophobicContact CB-CD2 4.15Å; Q125-F716 HydrophobicContact CB-CE1 3.52Å; Q125-F716 HydrophobicContact CB-CE2 3.8Å; Q125-F716 HydrophobicContact CB-CG 4.21Å; Q125-F716 HydrophobicContact CB-CZ 3.49Å; Q125-F716 VanDerWaalsContact CB-CZ 3.49Å; Q125-F716 HydrophobicContact CG-CD1 3.9Å; Q125-F716 HydrophobicContact CG-CE1 3.71Å; Q125-F716 HydrophobicContact CG-CZ 4.21Å; V129-F716 HydrophobicContact CG2-CE2 4.28Å; V129-F716 HydrophobicContact CG2-CZ 4.12Å; L187-F716 HydrophobicContact CD1-CE1 4.11Å; L187-F716 HydrophobicContact CD1-CZ 4.2Å; L187-F716 HydrophobicContact CG-CZ 4.48Å; L712-F716 HydrophobicContact CB-CD2 4.23Å; L712-F716 HydrophobicContact CB-CE2 3.83Å; L712-F716 HydrophobicContact CD2-CE2 3.76Å; L712-F716 HydrophobicContact CD2-CZ 3.78Å; L712-F716 HydrophobicContact CG-CE2 4.36Å; L712-F716 WeakPolarHBondContact O-CB 3.38Å; L712-F716 WeakPolarHBondContact O-CD2 3.19Å; L712-F716 VanDerWaalsContact O-CG 3.23Å; L712-F716 WeakPolarHBondContact O-CG 3.47Å; L712-F716 PolarHBondContact O-N 3.07Å; F716-T718 VanDerWaalsContact C-N 3.33Å; F716-S720 PolarHBondContact O-OG 3.22Å
717	S	58.3	Low	58.2	Low	78 Å²	78	80.2 Å²	80.2	55%	0.545	45%	0.452	S	S	.	.	H	α-helix	trans	-79.2	-14.5	173.6	56.5	0	0	0	0	113.9	L713 K714 E715	L713-S717 VanDerWaalsContact O-CB 3.26Å; L713-S717 WeakPolarHBondContact O-CB 3.18Å; L713-S717 PolarHBondContact O-N 3.36Å; L713-S717 VanDerWaalsContact O-N 3.14Å; L713-S717 PolarHBondContact O-OG 3Å; K714-S717 WeakPolarHBondContact CA-OG 3.22Å; K714-S717 PolarHBondContact O-OG 2.63Å; E715-S717 VanDerWaalsContact C-N 3.29Å; E715-S717 PolarHBondContact O-N 3.06Å
718	T	54.3	Low	58.3	Low	114 Å²	114	84.9 Å²	84.9	70%	0.699	48%	0.479	S	S	*	.	H	α-helix	trans	-96	-12.7	175.4	45.2	0	0	0	0	113.5	K714 E715 F716	K714-T718 WeakPolarHBondContact O-CG2 3.37Å; K714-T718 PolarHBondContact O-N 3.17Å; K714-T718 PolarHBondContact O-OG1 3.31Å; E715-T718 WeakPolarHBondContact CA-OG1 3.35Å; E715-T718 PolarHBondContact O-N 3.29Å; E715-T718 VanDerWaalsContact O-N 3.13Å; E715-T718 PolarHBondContact O-OG1 3.31Å; F716-T718 VanDerWaalsContact C-N 3.33Å
719	I	53	Low	58.6	Low	114 Å²	114	87.6 Å²	87.6	59%	0.585	49%	0.488	S	S	*	.			trans	-91.9	2.1	175.8	-62.8	165.1	0	0	0	111.9	E715	E715-I719 WeakPolarHBondContact O-CD1 3.47Å; E715-I719 WeakPolarHBondContact O-CG1 3.41Å; E715-I719 PolarHBondContact O-N 3.06Å
720	S	35.6	Very low	58.7	Low	166 Å²	166	89.6 Å²	89.6	100%	1.161	51%	0.505	S	S	*	.			trans	-85.3	0	178.5	-63.7	0	0	0	0	114.2	F716	F716-S720 PolarHBondContact O-OG 3.22Å

Retrieved 720 of 720 residues in 1023.2 ms (Link to these results)

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