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Adhesion G protein-coupled receptor L4

Endothelial orphan receptor that acts as a key regulator of angiogenesis.

AlphaFold DB , UniProt , Accession A0A096N293, Species PAPAN (Papio anubis, Olive baboon), Gene ADGRL4, Length 690 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.4	Very low	38.4	Very low	238 Å²	238	143.2 Å²	143.2	100%	1.172	75%	0.754	S	S	*	*				0	85.5	0	-84.4	159	68.4	0	0	107.2
2	K	37.6	Very low	38.4	Very low	198 Å²	198	140.3 Å²	140.3	86%	0.861	75%	0.747	S	S	*	*				53.5	83.7	89.3	-79.7	-168.9	177.2	-179	0	112.5
3	L	38.4	Very low	38.3	Very low	153 Å²	153	140.1 Å²	140.1	80%	0.801	75%	0.745	S	S	*	*			trans	-152.4	54.9	159.2	-108.3	158.5	0	0	0	109.1
4	L	39.4	Very low	38.3	Very low	163 Å²	163	140.9 Å²	140.9	85%	0.853	75%	0.748	S	S	*	*	S	Bend	trans	-134.2	5.4	172	-127	98.3	0	0	0	116.9
5	P	42.4	Very low	37.7	Very low	89 Å²	89	142.7 Å²	142.7	58%	0.578	76%	0.758	S	S	*	*	S	Bend	trans	-106	11.7	174.7	39.4	-32.2	0	0	0	115
6	L	38	Very low	37.5	Very low	130 Å²	130	140.5 Å²	140.5	68%	0.681	76%	0.756	S	S	*	*	S	Bend	trans	-94.3	-9.8	-179	-98.6	159.6	0	0	0	114.9
7	L	38.2	Very low	37.6	Very low	157 Å²	157	138.5 Å²	138.5	82%	0.822	76%	0.756	S	S	*	*	S	Bend	trans	-92.3	-11.5	177.2	-82	163.5	0	0	0	114.1
8	V	40.3	Very low	38	Very low	105 Å²	105	140.6 Å²	140.6	64%	0.636	75%	0.752	S	S	*	*	S	Bend	trans	-88.7	-15.9	-179.9	-176.3	0	0	0	0	112.2
9	V	39.1	Very low	38.5	Very low	91 Å²	91	138.5 Å²	138.5	55%	0.552	75%	0.745	S	S	*	*	S	Bend	trans	-90.2	-16.4	-179.7	-178.8	0	0	0	0	112.6	T12	V9-T12 PolarHBondContact O-OG1 2.99Å
10	F	36.2	Very low	39.5	Very low	160 Å²	160	134.7 Å²	134.7	70%	0.702	72%	0.722	S	S	*	*	S	Bend	trans	-91.1	-12	-179.5	-112	-84.5	0	0	0	114.7
11	S	35.7	Very low	40.4	Very low	91 Å²	91	132 Å²	132	64%	0.636	71%	0.708	S	S	*	*	G	3₁₀ helix	trans	-88.6	-10.4	175.8	45.5	0	0	0	0	113.8
12	T	37.7	Very low	41.7	Very low	109 Å²	109	122 Å²	122	67%	0.669	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-89	5.9	176.9	50.7	0	0	0	0	114.4	V9	V9-T12 PolarHBondContact O-OG1 2.99Å
13	L	37.5	Very low	42.9	Very low	137 Å²	137	118 Å²	118	72%	0.717	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-116.5	9.2	-175.8	-81.6	168.3	0	0	0	115.8
14	L	37.9	Very low	44.1	Very low	152 Å²	152	119.2 Å²	119.2	80%	0.796	65%	0.652	S	S	*	*			trans	-134.5	47.4	176.3	-93.6	155.6	0	0	0	112	C16	L14-C16 VanDerWaalsContact C-N 3.3Å; L14-C16 PolarHBondContact O-N 2.98Å
15	N	30.2	Very low	45.5	Very low	167 Å²	167	114.1 Å²	114.1	89%	0.893	63%	0.628	S	S	*	*			trans	-92.1	74.2	159.9	-120.4	4.7	0	0	0	108.5	S17	N15-S17 PolarHBondContact O-N 3.01Å; N15-S17 VanDerWaalsContact O-N 3.12Å
16	C	34.3	Very low	47.1	Very low	108 Å²	108	115.5 Å²	115.5	73%	0.73	64%	0.637	S	S	*	*			trans	-71.9	97.9	163.4	-144.9	0	0	0	0	106.1	L14 Y18	L14-C16 VanDerWaalsContact C-N 3.3Å; L14-C16 PolarHBondContact O-N 2.98Å; C16-Y18 PolarHBondContact O-N 3.19Å
17	S	38.5	Very low	49.1	Very low	107 Å²	107	111 Å²	111	75%	0.748	62%	0.616	S	S	*	*			trans	-66.6	90.8	169.9	179.4	0	0	0	0	107.8	N15 T19	N15-S17 PolarHBondContact O-N 3.01Å; N15-S17 VanDerWaalsContact O-N 3.12Å; S17-T19 PolarHBondContact O-N 3.1Å
18	Y	44.7	Very low	51.2	Low	176 Å²	176	106.4 Å²	106.4	69%	0.69	59%	0.592	S	S	*	*			trans	-84.6	100.4	169.2	-159.2	-93.3	0	0	0	107.1	C16 Q20	C16-Y18 PolarHBondContact O-N 3.19Å; Y18-Q20 HydrophobicContact CD1-CG 4.38Å; Y18-Q20 PolarHBondContact O-N 3.35Å; Y18-Q20 VanDerWaalsContact O-N 3.13Å
19	T	49	Very low	52.9	Low	101 Å²	101	106.3 Å²	106.3	62%	0.62	59%	0.593	S	S	*	*			trans	-59.7	113.6	167.6	47.2	0	0	0	0	108.3	S17	S17-T19 PolarHBondContact O-N 3.1Å
20	Q	56.6	Low	54.9	Low	62 Å²	62	104.8 Å²	104.8	29%	0.29	58%	0.582	S	S	.	*			trans	-102.1	92.9	-162.2	-152.8	169.1	30.9	0	0	111.3	Y18 C22 E40	Y18-Q20 HydrophobicContact CD1-CG 4.38Å; Y18-Q20 PolarHBondContact O-N 3.35Å; Y18-Q20 VanDerWaalsContact O-N 3.13Å; Q20-C22 PolarHBondContact O-N 3.28Å; Q20-E40 CarbonylContact C-O 3.6Å; Q20-E40 CarbonylContact O-C 3.48Å
21	N	59.5	Low	57.1	Low	78 Å²	78	98 Å²	98	42%	0.417	56%	0.556	S	S	.	*			trans	-74.1	121.3	-178.1	-164.6	-42	0	0	0	111.2	T23 K24 E40	N21-T23 PolarHBondContact O-N 3.15Å; N21-T23 PolarHBondContact OD1-N 3.26Å; N21-T23 PolarHBondContact OD1-OG1 3.21Å; N21-K24 PolarHBondContact O-N 3.32Å; N21-E40 PolarHBondContact OD1-OE2 2.91Å; N21-E40 VanDerWaalsContact OD1-OE2 3.14Å
22	C	64.9	Low	59.5	Low	27 Å²	27	98.2 Å²	98.2	18%	0.182	55%	0.545	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-6.6	-172.8	-62.9	0	0	0	0	114.9	Q20 K24 C33 E40	Q20-C22 PolarHBondContact O-N 3.28Å; C22-K24 VanDerWaalsContact C-N 3.31Å; C22-C33 HydrophobicContact CB-CB 3.63Å; C22-C33 WeakPolarHBondContact CB-SG 3.48Å; C22-C33 WeakPolarHBondContact SG-CB 3.44Å; C22-C33 CovalentContact SG-SG 2.01Å; C22-C33 PolarHBondContact SG-SG 3Å; C22-E40 HydrophobicContact CB-CG 4.42Å
23	T	62.4	Low	61.7	Low	115 Å²	115	95.6 Å²	95.6	71%	0.706	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-18	176	50.5	0	0	0	0	113.9	N21	N21-T23 PolarHBondContact O-N 3.15Å; N21-T23 PolarHBondContact OD1-N 3.26Å; N21-T23 PolarHBondContact OD1-OG1 3.21Å
24	K	64.4	Low	63.9	Low	178 Å²	178	91.9 Å²	91.9	77%	0.774	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	-22.4	-176	-70.9	-174.6	178	179.8	0	115.1	N21 C22	N21-K24 PolarHBondContact O-N 3.32Å; C22-K24 VanDerWaalsContact C-N 3.31Å
25	T	68.6	Low	65.8	Low	57 Å²	57	90.3 Å²	90.3	35%	0.35	50%	0.501	S	S	.	.	S	Bend	trans	-134.4	116.7	-178.1	18.2	0	0	0	0	108.9
26	P	74.6	Confident	68.1	Low	117 Å²	117	89.5 Å²	89.5	76%	0.76	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-67.1	138.3	174.6	27.7	-31.8	0	0	0	109.9
27	C	80.7	Confident	69.7	Low	37 Å²	37	92.5 Å²	92.5	25%	0.25	49%	0.494	C	S	.	.	P	Polyproline II helix	trans	-66.5	154.2	174.9	-51	0	0	0	0	110.7	A31 C42	C27-A31 HydrophobicContact CB-CB 4.05Å; C27-C42 WeakPolarHBondContact CA-SG 3.48Å; C27-C42 HydrophobicContact CB-CB 3.75Å; C27-C42 WeakPolarHBondContact CB-SG 3.46Å; C27-C42 WeakPolarHBondContact SG-CB 3.49Å; C27-C42 CovalentContact SG-SG 2.04Å; C27-C42 PolarHBondContact SG-SG 3.25Å
28	L	82	Confident	71.2	Confident	59 Å²	59	90.9 Å²	90.9	31%	0.309	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-62.6	160.4	171.8	-88.8	153.5	0	0	0	111.9	A31 G52 V53	L28-A31 PolarHBondContact O-N 3.45Å; L28-A31 VanDerWaalsContact O-N 3.09Å; L28-G52 PolarHBondContact N-O 3.24Å; L28-G52 VanDerWaalsContact N-O 3.13Å; L28-V53 WeakPolarHBondContact CD1-O 3.25Å
29	P	76	Confident	72.5	Confident	103 Å²	103	86.3 Å²	86.3	67%	0.669	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	143.2	163.5	-21.3	33.4	0	0	0	110.3	A31	P29-A31 VanDerWaalsContact C-N 3.25Å; P29-A31 PolarHBondContact O-N 2.81Å
30	N	80.7	Confident	74	Confident	59 Å²	59	84.6 Å²	84.6	32%	0.316	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.8	16.2	-172.9	-53.2	-34.8	0	0	0	115.6	N45 F48 C56	N30-N45 WeakPolarHBondContact CA-ND2 3.32Å; N30-N45 VanDerWaalsContact O-CB 3.25Å; N30-N45 WeakPolarHBondContact O-CB 3.43Å; N30-N45 PolarHBondContact O-N 2.82Å; N30-N45 PolarHBondContact O-ND2 3.47Å; N30-F48 HydrophobicContact CB-CD1 4.09Å; N30-F48 HydrophobicContact CB-CD2 4.13Å; N30-F48 HydrophobicContact CB-CE1 3.97Å; N30-F48 HydrophobicContact CB-CE2 3.97Å; N30-F48 HydrophobicContact CB-CG 4.19Å; N30-F48 HydrophobicContact CB-CZ 3.9Å; N30-F48 VanDerWaalsContact ND2-CE1 3.33Å; N30-F48 WeakPolarHBondContact ND2-CE1 3.49Å; N30-F48 VanDerWaalsContact ND2-CZ 3.31Å; N30-F48 WeakPolarHBondContact ND2-CZ 3.03Å; N30-C56 PolarHBondContact O-SG 3.07Å
31	A	84.3	Confident	75.1	Confident	18 Å²	18	82.3 Å²	82.3	15%	0.149	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	149.3	167.9	0	0	0	0	0	111.9	C27 L28 P29 Y43 G52	C27-A31 HydrophobicContact CB-CB 4.05Å; L28-A31 PolarHBondContact O-N 3.45Å; L28-A31 VanDerWaalsContact O-N 3.09Å; P29-A31 VanDerWaalsContact C-N 3.25Å; P29-A31 PolarHBondContact O-N 2.81Å; A31-Y43 CarbonylContact C-O 3.5Å; A31-Y43 VanDerWaalsContact CA-O 3.25Å; A31-Y43 WeakPolarHBondContact CA-O 3.37Å; A31-Y43 WeakPolarHBondContact CB-O 3.5Å; A31-G52 WeakPolarHBondContact CB-O 3.42Å
32	K	85.6	Confident	76.2	Confident	96 Å²	96	79 Å²	79	42%	0.417	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	144.8	177.4	56.5	175.2	173	169.3	0	111	E34 Y43	K32-E34 HydrophobicContact CD-CG 4Å; K32-E34 VanDerWaalsContact CD-OE1 3.28Å; K32-E34 WeakPolarHBondContact CD-OE1 3.43Å; K32-E34 WeakPolarHBondContact CE-OE1 2.9Å; K32-E34 HydrophobicContact CG-CG 4.06Å; K32-E34 IonicContact NZ-OE1 2.71Å; K32-E34 PolarHBondContact NZ-OE1 3.33Å; K32-E34 IonicContact NZ-OE2 3.86Å; K32-E34 PolarHBondContact O-N 3.06Å; K32-Y43 PolarHBondContact N-O 3.46Å; K32-Y43 PolarHBondContact O-N 3.3Å
33	C	83.1	Confident	77.2	Confident	53 Å²	53	80.7 Å²	80.7	36%	0.358	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	123.5	171.6	-177.2	0	0	0	0	109.9	C22	C22-C33 HydrophobicContact CB-CB 3.63Å; C22-C33 WeakPolarHBondContact CB-SG 3.48Å; C22-C33 WeakPolarHBondContact SG-CB 3.44Å; C22-C33 CovalentContact SG-SG 2.01Å; C22-C33 PolarHBondContact SG-SG 3Å
34	E	83.3	Confident	78.3	Confident	59 Å²	59	76.4 Å²	76.4	28%	0.276	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	161.8	173.8	-65.8	-169.8	152.3	0	0	110.7	K32 R36 A41 Y43	K32-E34 HydrophobicContact CD-CG 4Å; K32-E34 VanDerWaalsContact CD-OE1 3.28Å; K32-E34 WeakPolarHBondContact CD-OE1 3.43Å; K32-E34 WeakPolarHBondContact CE-OE1 2.9Å; K32-E34 HydrophobicContact CG-CG 4.06Å; K32-E34 IonicContact NZ-OE1 2.71Å; K32-E34 PolarHBondContact NZ-OE1 3.33Å; K32-E34 IonicContact NZ-OE2 3.86Å; K32-E34 PolarHBondContact O-N 3.06Å; E34-R36 IonicContact OE2-NE 3.81Å; E34-R36 IonicContact OE2-NH2 3.45Å; E34-A41 PolarHBondContact N-O 3.1Å; E34-A41 PolarHBondContact O-N 3.45Å; E34-A41 VanDerWaalsContact O-N 3.16Å; E34-A41 VanDerWaalsContact O-O 3.13Å; E34-Y43 HydrophobicContact CB-CD2 3.93Å; E34-Y43 HydrophobicContact CB-CE2 4.37Å; E34-Y43 WeakPolarHBondContact O-CE2 3.09Å
35	I	79.6	Confident	79.3	Confident	120 Å²	120	70.6 Å²	70.6	62%	0.615	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.3	110.6	172.2	-58.3	172.7	0	0	0	107.6	I39 E40	I35-I39 WeakPolarHBondContact CA-O 3.31Å; I35-E40 HydrophobicContact CG1-CB 3.98Å; I35-E40 HydrophobicContact CG1-CG 4.12Å
36	R	76.8	Confident	79.9	Confident	150 Å²	150	76.5 Å²	76.5	57%	0.566	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115	129.2	171	-74.3	-174.4	-178.4	-169.7	1.4	109.1	E34 G38 I39 Y43	E34-R36 IonicContact OE2-NE 3.81Å; E34-R36 IonicContact OE2-NH2 3.45Å; R36-G38 PolarHBondContact O-N 2.92Å; R36-I39 PolarHBondContact N-O 3.14Å; R36-I39 VanDerWaalsContact N-O 3.14Å; R36-I39 PolarHBondContact O-N 3.29Å; R36-I39 VanDerWaalsContact O-N 3.1Å; R36-Y43 HydrophobicContact CB-CE2 4.45Å; R36-Y43 HydrophobicContact CG-CE2 4.47Å
37	N	68.6	Low	80.1	Confident	170 Å²	170	71.7 Å²	71.7	91%	0.909	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	37.1	179.4	-60.4	-20.1	0	0	0	114.6	I39	N37-I39 VanDerWaalsContact C-N 3.31Å; N37-I39 PolarHBondContact O-N 3.07Å
38	G	70	Confident	80.3	Confident	73 Å²	73	71 Å²	71	75%	0.753	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.4	4.1	178.5	0	0	0	0	0	115.3	R36	R36-G38 PolarHBondContact O-N 2.92Å
39	I	72.9	Confident	80.3	Confident	81 Å²	81	71.3 Å²	71.3	42%	0.415	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	117.9	177.2	-56.1	172.5	0	0	0	108.8	I35 R36 N37	I35-I39 WeakPolarHBondContact CA-O 3.31Å; R36-I39 PolarHBondContact N-O 3.14Å; R36-I39 VanDerWaalsContact N-O 3.14Å; R36-I39 PolarHBondContact O-N 3.29Å; R36-I39 VanDerWaalsContact O-N 3.1Å; N37-I39 VanDerWaalsContact C-N 3.31Å; N37-I39 PolarHBondContact O-N 3.07Å
40	E	79.1	Confident	80.6	Confident	64 Å²	64	68.9 Å²	68.9	30%	0.299	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	125.2	168.4	-171.2	179.7	-159	0	0	108.7	Q20 N21 C22 I35	Q20-E40 CarbonylContact C-O 3.6Å; Q20-E40 CarbonylContact O-C 3.48Å; N21-E40 PolarHBondContact OD1-OE2 2.91Å; N21-E40 VanDerWaalsContact OD1-OE2 3.14Å; C22-E40 HydrophobicContact CB-CG 4.42Å; I35-E40 HydrophobicContact CG1-CB 3.98Å; I35-E40 HydrophobicContact CG1-CG 4.12Å
41	A	79.9	Confident	80.5	Confident	14 Å²	14	69.8 Å²	69.8	12%	0.116	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	165.2	176.4	0	0	0	0	0	111.1	E34 Y43	E34-A41 PolarHBondContact N-O 3.1Å; E34-A41 PolarHBondContact O-N 3.45Å; E34-A41 VanDerWaalsContact O-N 3.16Å; E34-A41 VanDerWaalsContact O-O 3.13Å; A41-Y43 HydrophobicContact CB-CE2 3.95Å; A41-Y43 VanDerWaalsContact O-CD2 3.22Å; A41-Y43 WeakPolarHBondContact O-CD2 3.4Å; A41-Y43 WeakPolarHBondContact O-CE2 3.44Å
42	C	83.6	Confident	80.2	Confident	9 Å²	9	68.9 Å²	68.9	6%	0.061	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	127.2	169.7	-64.2	0	0	0	0	110.2	C27 G52 V53	C27-C42 WeakPolarHBondContact CA-SG 3.48Å; C27-C42 HydrophobicContact CB-CB 3.75Å; C27-C42 WeakPolarHBondContact CB-SG 3.46Å; C27-C42 WeakPolarHBondContact SG-CB 3.49Å; C27-C42 CovalentContact SG-SG 2.04Å; C27-C42 PolarHBondContact SG-SG 3.25Å; C42-G52 WeakPolarHBondContact CB-O 3.41Å; C42-V53 HydrophobicContact CB-CG2 3.7Å
43	Y	84.3	Confident	79.7	Confident	63 Å²	63	65.6 Å²	65.6	25%	0.247	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	135.9	174.4	-62.7	-84.6	0	0	0	109.4	A31 K32 E34 R36 A41	A31-Y43 CarbonylContact C-O 3.5Å; A31-Y43 VanDerWaalsContact CA-O 3.25Å; A31-Y43 WeakPolarHBondContact CA-O 3.37Å; A31-Y43 WeakPolarHBondContact CB-O 3.5Å; K32-Y43 PolarHBondContact N-O 3.46Å; K32-Y43 PolarHBondContact O-N 3.3Å; E34-Y43 HydrophobicContact CB-CD2 3.93Å; E34-Y43 HydrophobicContact CB-CE2 4.37Å; E34-Y43 WeakPolarHBondContact O-CE2 3.09Å; R36-Y43 HydrophobicContact CB-CE2 4.45Å; R36-Y43 HydrophobicContact CG-CE2 4.47Å; A41-Y43 HydrophobicContact CB-CE2 3.95Å; A41-Y43 VanDerWaalsContact O-CD2 3.22Å; A41-Y43 WeakPolarHBondContact O-CD2 3.4Å; A41-Y43 WeakPolarHBondContact O-CE2 3.44Å
44	C	86.4	Confident	79.4	Confident	24 Å²	24	67.7 Å²	67.7	16%	0.162	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	146.7	171	-76.9	0	0	0	0	111.4	F48 C56	C44-F48 HydrophobicContact CB-CB 3.9Å; C44-F48 VanDerWaalsContact CB-O 3.23Å; C44-F48 WeakPolarHBondContact CB-O 3.47Å; C44-C56 VanDerWaalsContact CA-SG 3.52Å; C44-C56 WeakPolarHBondContact CB-SG 3.41Å; C44-C56 WeakPolarHBondContact SG-CA 3.41Å; C44-C56 WeakPolarHBondContact SG-CB 3.43Å; C44-C56 CovalentContact SG-SG 2.04Å; C44-C56 PolarHBondContact SG-SG 3.13Å
45	N	86.1	Confident	79.2	Confident	56 Å²	56	68.8 Å²	68.8	30%	0.299	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-63	159.8	171.3	-70.2	-20.4	0	0	0	109.6	N30 G47 F48	N30-N45 WeakPolarHBondContact CA-ND2 3.32Å; N30-N45 VanDerWaalsContact O-CB 3.25Å; N30-N45 WeakPolarHBondContact O-CB 3.43Å; N30-N45 PolarHBondContact O-N 2.82Å; N30-N45 PolarHBondContact O-ND2 3.47Å; N45-G47 PolarHBondContact O-N 2.87Å; N45-F48 HydrophobicContact CB-CD2 4.28Å; N45-F48 PolarHBondContact O-N 3.44Å; N45-F48 VanDerWaalsContact O-N 3.13Å
46	M	81.4	Confident	79.5	Confident	182 Å²	182	64.1 Å²	64.1	90%	0.897	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	139.4	175.5	-64.6	-134.3	-59.4	0	0	110.5
47	G	78.5	Confident	79.9	Confident	15 Å²	15	63.6 Å²	63.6	16%	0.155	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.7	4.8	-172.9	0	0	0	0	0	114.2	N45 D59	N45-G47 PolarHBondContact O-N 2.87Å; G47-D59 WeakPolarHBondContact O-CB 3.41Å; G47-D59 PolarHBondContact O-N 3.31Å
48	F	84.4	Confident	80.8	Confident	23 Å²	23	58 Å²	58	10%	0.101	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	139.6	175.5	-63.6	-99.6	0	0	0	111.1	N30 C44 N45 E57 D58 D59 E79	N30-F48 HydrophobicContact CB-CD1 4.09Å; N30-F48 HydrophobicContact CB-CD2 4.13Å; N30-F48 HydrophobicContact CB-CE1 3.97Å; N30-F48 HydrophobicContact CB-CE2 3.97Å; N30-F48 HydrophobicContact CB-CG 4.19Å; N30-F48 HydrophobicContact CB-CZ 3.9Å; N30-F48 VanDerWaalsContact ND2-CE1 3.33Å; N30-F48 WeakPolarHBondContact ND2-CE1 3.49Å; N30-F48 VanDerWaalsContact ND2-CZ 3.31Å; N30-F48 WeakPolarHBondContact ND2-CZ 3.03Å; C44-F48 HydrophobicContact CB-CB 3.9Å; C44-F48 VanDerWaalsContact CB-O 3.23Å; C44-F48 WeakPolarHBondContact CB-O 3.47Å; N45-F48 HydrophobicContact CB-CD2 4.28Å; N45-F48 PolarHBondContact O-N 3.44Å; N45-F48 VanDerWaalsContact O-N 3.13Å; F48-E57 CarbonylContact C-O 3.6Å; F48-E57 WeakPolarHBondContact CA-O 3.27Å; F48-D58 HydrophobicContact CD1-CB 4.26Å; F48-D58 HydrophobicContact CE1-CB 4.07Å; F48-D59 PolarHBondContact N-OD2 2.8Å; F48-E79 HydrophobicContact CE1-CG 4.13Å; F48-E79 HydrophobicContact CZ-CG 3.83Å
49	S	81.6	Confident	81.4	Confident	65 Å²	65	57 Å²	57	46%	0.455	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	144.8	174.8	-73.5	0	0	0	0	112.2	E57 D59	S49-E57 PolarHBondContact N-O 2.69Å; S49-E57 PolarHBondContact O-N 2.94Å; S49-D59 WeakPolarHBondContact CB-OD1 3.23Å; S49-D59 PolarHBondContact N-OD1 3.02Å; S49-D59 VanDerWaalsContact OG-CG 3.29Å; S49-D59 PolarHBondContact OG-OD1 3.2Å; S49-D59 PolarHBondContact OG-OD2 3.23Å
50	G	82.7	Confident	81.9	Confident	52 Å²	52	57.7 Å²	57.7	54%	0.536	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	152.8	-166.5	177.7	0	0	0	0	0	112.7	I55	G50-I55 CarbonylContact C-O 3.57Å; G50-I55 WeakPolarHBondContact CA-O 3.38Å
51	N	78.4	Confident	82.1	Confident	78 Å²	78	57 Å²	57	42%	0.417	32%	0.32	S	S	.	.			trans	-96.1	2.3	179.3	70.3	0.7	0	0	0	113.4	V53 T54 I55	N51-V53 PolarHBondContact O-N 2.89Å; N51-V53 PolarHBondContact OD1-N 3.13Å; N51-T54 PolarHBondContact ND2-OG1 3.43Å; N51-T54 PolarHBondContact OD1-N 3.2Å; N51-T54 PolarHBondContact OD1-OG1 3.38Å; N51-I55 PolarHBondContact N-O 2.62Å; N51-I55 PolarHBondContact OD1-N 2.57Å; N51-I55 PolarHBondContact OD1-O 3.01Å
52	G	77.1	Confident	82.1	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	33%	0.325	C	S	.	.	S	Bend	trans	69.9	-5	175.6	0	0	0	0	0	115.8	L28 A31 C42 I55	L28-G52 PolarHBondContact N-O 3.24Å; L28-G52 VanDerWaalsContact N-O 3.13Å; A31-G52 WeakPolarHBondContact CB-O 3.42Å; C42-G52 WeakPolarHBondContact CB-O 3.41Å; G52-I55 PolarHBondContact N-O 3.48Å; G52-I55 VanDerWaalsContact N-O 3.09Å
53	V	75.6	Confident	81.6	Confident	27 Å²	27	60 Å²	60	16%	0.164	35%	0.348	C	S	.	.	S	Bend	trans	-122.1	-39.3	-175.8	-176	0	0	0	0	112.9	L28 C42 N51	L28-V53 WeakPolarHBondContact CD1-O 3.25Å; C42-V53 HydrophobicContact CB-CG2 3.7Å; N51-V53 PolarHBondContact O-N 2.89Å; N51-V53 PolarHBondContact OD1-N 3.13Å
54	T	76.3	Confident	80.4	Confident	97 Å²	97	63.5 Å²	63.5	60%	0.595	37%	0.371	S	S	*	.	S	Bend	trans	-117.1	-23.9	175.2	64.8	0	0	0	0	113.2	N51	N51-T54 PolarHBondContact ND2-OG1 3.43Å; N51-T54 PolarHBondContact OD1-N 3.2Å; N51-T54 PolarHBondContact OD1-OG1 3.38Å
55	I	80.1	Confident	78.9	Confident	81 Å²	81	70 Å²	70	42%	0.415	40%	0.404	S	S	.	.			trans	-141.4	128.5	-178.2	-58.8	172.9	0	0	0	108.4	G50 N51 G52 E57	G50-I55 CarbonylContact C-O 3.57Å; G50-I55 WeakPolarHBondContact CA-O 3.38Å; N51-I55 PolarHBondContact N-O 2.62Å; N51-I55 PolarHBondContact OD1-N 2.57Å; N51-I55 PolarHBondContact OD1-O 3.01Å; G52-I55 PolarHBondContact N-O 3.48Å; G52-I55 VanDerWaalsContact N-O 3.09Å; I55-E57 HydrophobicContact CG2-CG 3.9Å
56	C	86	Confident	77.1	Confident	23 Å²	23	73.1 Å²	73.1	16%	0.155	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	90.9	167.3	-157.4	0	0	0	0	106.9	N30 C44	N30-C56 PolarHBondContact O-SG 3.07Å; C44-C56 VanDerWaalsContact CA-SG 3.52Å; C44-C56 WeakPolarHBondContact CB-SG 3.41Å; C44-C56 WeakPolarHBondContact SG-CA 3.41Å; C44-C56 WeakPolarHBondContact SG-CB 3.43Å; C44-C56 CovalentContact SG-SG 2.04Å; C44-C56 PolarHBondContact SG-SG 3.13Å
57	E	85.7	Confident	75.9	Confident	138 Å²	138	72.7 Å²	72.7	65%	0.645	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103	145.6	-174.6	-72.7	177.8	-178.2	0	0	110	F48 S49 I55 D59	F48-E57 CarbonylContact C-O 3.6Å; F48-E57 WeakPolarHBondContact CA-O 3.27Å; S49-E57 PolarHBondContact N-O 2.69Å; S49-E57 PolarHBondContact O-N 2.94Å; I55-E57 HydrophobicContact CG2-CG 3.9Å; E57-D59 PolarHBondContact O-N 2.89Å
58	D	86.1	Confident	75.3	Confident	53 Å²	53	73.9 Å²	73.9	28%	0.283	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	130	177.4	-178.3	60.2	0	0	0	111	F48 N60 N77 G80	F48-D58 HydrophobicContact CD1-CB 4.26Å; F48-D58 HydrophobicContact CE1-CB 4.07Å; D58-N60 PolarHBondContact O-N 2.8Å; D58-N77 PolarHBondContact OD2-ND2 3.48Å; D58-G80 WeakPolarHBondContact OD1-CA 3.24Å; D58-G80 PolarHBondContact OD1-N 3.42Å
59	D	84.3	Confident	74.9	Confident	51 Å²	51	73.5 Å²	73.5	27%	0.273	43%	0.426	S	S	.	.			trans	-75.2	115.9	177	-73.4	-33.1	0	0	0	109	G47 F48 S49 E57 E61 N77	G47-D59 WeakPolarHBondContact O-CB 3.41Å; G47-D59 PolarHBondContact O-N 3.31Å; F48-D59 PolarHBondContact N-OD2 2.8Å; S49-D59 WeakPolarHBondContact CB-OD1 3.23Å; S49-D59 PolarHBondContact N-OD1 3.02Å; S49-D59 VanDerWaalsContact OG-CG 3.29Å; S49-D59 PolarHBondContact OG-OD1 3.2Å; S49-D59 PolarHBondContact OG-OD2 3.23Å; E57-D59 PolarHBondContact O-N 2.89Å; D59-E61 PolarHBondContact O-N 2.99Å; D59-N77 PolarHBondContact O-OD1 3.42Å
60	N	82.9	Confident	74.5	Confident	96 Å²	96	72.7 Å²	72.7	51%	0.513	43%	0.428	S	S	.	.			trans	-80.3	88.5	176.2	-176.8	-1.5	0	0	0	111.2	D58 C62 G63 N77	D58-N60 PolarHBondContact O-N 2.8Å; N60-C62 PolarHBondContact O-N 3.46Å; N60-C62 VanDerWaalsContact O-N 3.13Å; N60-C62 WeakPolarHBondContact OD1-CB 3.4Å; N60-C62 PolarHBondContact OD1-N 3.28Å; N60-C62 VanDerWaalsContact OD1-N 3.12Å; N60-G63 PolarHBondContact O-N 2.86Å; N60-G63 VanDerWaalsContact O-N 3.09Å; N60-G63 PolarHBondContact OD1-N 3.03Å; N60-N77 WeakPolarHBondContact CA-OD1 3.33Å
61	E	81.8	Confident	74	Confident	49 Å²	49	78.3 Å²	78.3	23%	0.229	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-10.5	-179	-58.3	97	166.9	0	0	113.7	D59 S68 N77 Y82	D59-E61 PolarHBondContact O-N 2.99Å; E61-S68 PolarHBondContact O-OG 3Å; E61-N77 PolarHBondContact N-OD1 3.49Å; E61-N77 PolarHBondContact OE2-OD1 3.27Å; E61-N77 VanDerWaalsContact OE2-OD1 3.09Å; E61-Y82 HydrophobicContact CB-CD1 3.56Å; E61-Y82 HydrophobicContact CB-CD2 4.45Å; E61-Y82 HydrophobicContact CB-CE1 4.02Å; E61-Y82 HydrophobicContact CB-CG 3.84Å; E61-Y82 VanDerWaalsContact CD-CD1 3.5Å; E61-Y82 HydrophobicContact CG-CD1 3.66Å; E61-Y82 HydrophobicContact CG-CE1 4.02Å; E61-Y82 HydrophobicContact CG-CG 4.41Å; E61-Y82 VanDerWaalsContact OE2-CD1 3.31Å; E61-Y82 WeakPolarHBondContact OE2-CD1 3.37Å
62	C	80.4	Confident	73.9	Confident	33 Å²	33	78.2 Å²	78.2	22%	0.223	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-4.4	174.5	-55.4	0	0	0	0	113.9	N60 C75 T76 N77	N60-C62 PolarHBondContact O-N 3.46Å; N60-C62 VanDerWaalsContact O-N 3.13Å; N60-C62 WeakPolarHBondContact OD1-CB 3.4Å; N60-C62 PolarHBondContact OD1-N 3.28Å; N60-C62 VanDerWaalsContact OD1-N 3.12Å; C62-C75 VanDerWaalsContact CA-SG 3.52Å; C62-C75 HydrophobicContact CB-CB 3.76Å; C62-C75 WeakPolarHBondContact CB-SG 3.09Å; C62-C75 WeakPolarHBondContact SG-CB 3.42Å; C62-C75 CovalentContact SG-SG 2.04Å; C62-C75 PolarHBondContact SG-SG 2.98Å; C62-T76 VanDerWaalsContact SG-C 3.59Å; C62-N77 PolarHBondContact SG-N 3.11Å; C62-N77 VanDerWaalsContact SG-N 3.39Å
63	G	72.8	Confident	74.1	Confident	53 Å²	53	79.2 Å²	79.2	55%	0.546	45%	0.449	S	S	.	.	S	Bend	trans	-76.2	-22.2	-173	0	0	0	0	0	115.9	N60	N60-G63 PolarHBondContact O-N 2.86Å; N60-G63 VanDerWaalsContact O-N 3.09Å; N60-G63 PolarHBondContact OD1-N 3.03Å
64	N	60.2	Low	74.5	Confident	137 Å²	137	83 Å²	83	73%	0.733	47%	0.468	S	S	*	.	S	Bend	trans	-109.8	101.1	-178.4	-149	1.4	0	0	0	110.5	T66	N64-T66 VanDerWaalsContact C-N 3.31Å; N64-T66 PolarHBondContact O-N 3.33Å
65	L	55.1	Low	74.9	Confident	161 Å²	161	79.9 Å²	79.9	84%	0.843	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	35.6	-151.7	-116.6	159.7	0	0	0	116.7
66	T	48.3	Very low	75.1	Confident	121 Å²	121	78.3 Å²	78.3	74%	0.742	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127	-18.4	-174.9	46.8	0	0	0	0	118.7	N64	N64-T66 VanDerWaalsContact C-N 3.31Å; N64-T66 PolarHBondContact O-N 3.33Å
67	Q	55.6	Low	75.1	Confident	174 Å²	174	79.5 Å²	79.5	81%	0.813	45%	0.449	S	S	*	.	S	Bend	trans	-165.4	29.3	178.6	-137.4	130.3	16.4	0	0	118.2
68	S	66.8	Low	75	Confident	40 Å²	40	75.4 Å²	75.4	28%	0.28	43%	0.433	S	S	.	.	S	Bend	trans	-71.7	-79.5	172.6	-50.6	0	0	0	0	109.1	E61 G70 T101	E61-S68 PolarHBondContact O-OG 3Å; S68-G70 VanDerWaalsContact C-N 3.31Å; S68-G70 PolarHBondContact O-N 3.06Å; S68-G70 VanDerWaalsContact O-N 3.07Å; S68-T101 WeakPolarHBondContact O-CB 3.43Å; S68-T101 WeakPolarHBondContact O-CG2 3.46Å
69	C	74.8	Confident	74.9	Confident	14 Å²	14	80.5 Å²	80.5	10%	0.095	46%	0.455	C	S	.	.	S	Bend	trans	-74.1	1.7	-168	-66.9	0	0	0	0	118.6	A73 C75 C84	C69-A73 HydrophobicContact CB-CB 3.7Å; C69-A73 VanDerWaalsContact O-CB 3.27Å; C69-A73 WeakPolarHBondContact O-CB 3.29Å; C69-C75 HydrophobicContact CB-CB 4.49Å; C69-C75 VanDerWaalsContact SG-CA 3.51Å; C69-C75 WeakPolarHBondContact SG-CB 3.47Å; C69-C84 WeakPolarHBondContact CA-SG 3.09Å; C69-C84 HydrophobicContact CB-CB 3.55Å; C69-C84 WeakPolarHBondContact CB-SG 3.18Å; C69-C84 VanDerWaalsContact SG-CA 3.56Å; C69-C84 WeakPolarHBondContact SG-CB 3.47Å; C69-C84 CovalentContact SG-SG 2.02Å; C69-C84 PolarHBondContact SG-SG 3.31Å
70	G	72.8	Confident	74.7	Confident	48 Å²	48	79 Å²	79	50%	0.495	45%	0.452	S	S	.	.			trans	74.3	175.9	-171.4	0	0	0	0	0	113.5	S68	S68-G70 VanDerWaalsContact C-N 3.31Å; S68-G70 PolarHBondContact O-N 3.06Å; S68-G70 VanDerWaalsContact O-N 3.07Å
71	E	72.9	Confident	74.8	Confident	171 Å²	171	77.1 Å²	77.1	80%	0.799	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	143.3	179.2	-69.4	-174.2	167.6	0	0	111.9	A73	E71-A73 VanDerWaalsContact C-N 3.31Å; E71-A73 PolarHBondContact O-N 3.21Å
72	N	77.1	Confident	75	Confident	76 Å²	76	76.5 Å²	76.5	41%	0.406	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.9	29.1	179	-50.7	-53.4	0	0	0	115.1	V87 F90 C107	N72-V87 HydrophobicContact CB-CG2 4.1Å; N72-V87 WeakPolarHBondContact O-CG2 3.41Å; N72-V87 PolarHBondContact O-N 3.23Å; N72-F90 HydrophobicContact CB-CD1 3.97Å; N72-F90 HydrophobicContact CB-CD2 4.07Å; N72-F90 HydrophobicContact CB-CE1 3.99Å; N72-F90 HydrophobicContact CB-CE2 4.08Å; N72-F90 HydrophobicContact CB-CG 4.03Å; N72-F90 HydrophobicContact CB-CZ 4.04Å; N72-C107 HydrophobicContact CB-CB 4.27Å
73	A	81.3	Confident	75.3	Confident	21 Å²	21	77.2 Å²	77.2	17%	0.174	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	145.2	173.5	0	0	0	0	0	111.7	C69 E71 M85 F99	C69-A73 HydrophobicContact CB-CB 3.7Å; C69-A73 VanDerWaalsContact O-CB 3.27Å; C69-A73 WeakPolarHBondContact O-CB 3.29Å; E71-A73 VanDerWaalsContact C-N 3.31Å; E71-A73 PolarHBondContact O-N 3.21Å; A73-M85 CarbonylContact C-O 3.5Å; A73-M85 WeakPolarHBondContact CA-O 3.2Å; A73-F99 HydrophobicContact CB-CZ 3.96Å
74	N	83	Confident	75.9	Confident	106 Å²	106	74.7 Å²	74.7	57%	0.567	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.1	135.9	174.3	-162.1	20	0	0	0	110.6	C84 M85	N74-C84 WeakPolarHBondContact O-CA 3.25Å; N74-M85 PolarHBondContact N-O 2.83Å; N74-M85 PolarHBondContact O-N 2.95Å
75	C	85.5	Confident	77	Confident	31 Å²	31	71.6 Å²	71.6	21%	0.209	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	131.1	-179.3	-170.7	0	0	0	0	110.2	C62 C69	C62-C75 VanDerWaalsContact CA-SG 3.52Å; C62-C75 HydrophobicContact CB-CB 3.76Å; C62-C75 WeakPolarHBondContact CB-SG 3.09Å; C62-C75 WeakPolarHBondContact SG-CB 3.42Å; C62-C75 CovalentContact SG-SG 2.04Å; C62-C75 PolarHBondContact SG-SG 2.98Å; C69-C75 HydrophobicContact CB-CB 4.49Å; C69-C75 VanDerWaalsContact SG-CA 3.51Å; C69-C75 WeakPolarHBondContact SG-CB 3.47Å
76	T	84.4	Confident	78.3	Confident	49 Å²	49	65.2 Å²	65.2	30%	0.301	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	117.4	173	-52.5	0	0	0	0	109.6	C62 Y82 Y83	C62-T76 VanDerWaalsContact SG-C 3.59Å; T76-Y82 WeakPolarHBondContact O-CA 3.47Å; T76-Y83 HydrophobicContact CG2-CE1 3.94Å; T76-Y83 HydrophobicContact CG2-CE2 4.47Å; T76-Y83 PolarHBondContact N-O 3.35Å; T76-Y83 PolarHBondContact O-N 2.94Å
77	N	84.8	Confident	79.6	Confident	47 Å²	47	61.7 Å²	61.7	25%	0.251	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	139.7	177	-159.7	67.1	0	0	0	110.3	D58 D59 N60 E61 C62	D58-N77 PolarHBondContact OD2-ND2 3.48Å; D59-N77 PolarHBondContact O-OD1 3.42Å; N60-N77 WeakPolarHBondContact CA-OD1 3.33Å; E61-N77 PolarHBondContact N-OD1 3.49Å; E61-N77 PolarHBondContact OE2-OD1 3.27Å; E61-N77 VanDerWaalsContact OE2-OD1 3.09Å; C62-N77 PolarHBondContact SG-N 3.11Å; C62-N77 VanDerWaalsContact SG-N 3.39Å
78	T	84.6	Confident	80.1	Confident	52 Å²	52	58.8 Å²	58.8	32%	0.319	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	159.9	176.3	50.5	0	0	0	0	109.4	G80 S81 Y83	T78-G80 PolarHBondContact O-N 2.96Å; T78-S81 CarbonylContact C-O 3.6Å; T78-S81 VanDerWaalsContact C-O 3.25Å; T78-S81 VanDerWaalsContact CA-O 3.3Å; T78-S81 WeakPolarHBondContact CA-O 3.47Å; T78-S81 PolarHBondContact N-O 3Å; T78-S81 CarbonylContact O-C 3.49Å; T78-S81 PolarHBondContact O-N 2.99Å; T78-S81 VanDerWaalsContact O-N 3.14Å; T78-S81 PolarHBondContact OG1-O 2.99Å; T78-Y83 HydrophobicContact CG2-CD1 3.81Å; T78-Y83 HydrophobicContact CG2-CE1 3.57Å
79	E	83.4	Confident	79.6	Confident	160 Å²	160	58.4 Å²	58.4	75%	0.748	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	115	-180	-172.1	176.8	-175.3	0	0	110.9	F48	F48-E79 HydrophobicContact CE1-CG 4.13Å; F48-E79 HydrophobicContact CZ-CG 3.83Å
80	G	80.6	Confident	79.3	Confident	21 Å²	21	60.6 Å²	60.6	22%	0.216	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.6	6.2	-178.2	0	0	0	0	0	116.1	D58 T78	D58-G80 WeakPolarHBondContact OD1-CA 3.24Å; D58-G80 PolarHBondContact OD1-N 3.42Å; T78-G80 PolarHBondContact O-N 2.96Å
81	S	84.9	Confident	79.6	Confident	56 Å²	56	64.1 Å²	64.1	39%	0.392	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.1	179.3	-176.3	-164.1	0	0	0	0	112.2	T78	T78-S81 CarbonylContact C-O 3.6Å; T78-S81 VanDerWaalsContact C-O 3.25Å; T78-S81 VanDerWaalsContact CA-O 3.3Å; T78-S81 WeakPolarHBondContact CA-O 3.47Å; T78-S81 PolarHBondContact N-O 3Å; T78-S81 CarbonylContact O-C 3.49Å; T78-S81 PolarHBondContact O-N 2.99Å; T78-S81 VanDerWaalsContact O-N 3.14Å; T78-S81 PolarHBondContact OG1-O 2.99Å
82	Y	86.3	Confident	79.9	Confident	35 Å²	35	56.3 Å²	56.3	14%	0.137	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	161.3	170.8	68.1	-73.4	0	0	0	109.7	E61 T76 I100 T101	E61-Y82 HydrophobicContact CB-CD1 3.56Å; E61-Y82 HydrophobicContact CB-CD2 4.45Å; E61-Y82 HydrophobicContact CB-CE1 4.02Å; E61-Y82 HydrophobicContact CB-CG 3.84Å; E61-Y82 VanDerWaalsContact CD-CD1 3.5Å; E61-Y82 HydrophobicContact CG-CD1 3.66Å; E61-Y82 HydrophobicContact CG-CE1 4.02Å; E61-Y82 HydrophobicContact CG-CG 4.41Å; E61-Y82 VanDerWaalsContact OE2-CD1 3.31Å; E61-Y82 WeakPolarHBondContact OE2-CD1 3.37Å; T76-Y82 WeakPolarHBondContact O-CA 3.47Å; Y82-I100 WeakPolarHBondContact O-CG2 3.34Å; Y82-T101 HydrophobicContact CE2-CG2 3.62Å; Y82-T101 WeakPolarHBondContact OH-CB 3.38Å; Y82-T101 PolarHBondContact OH-N 2.89Å; Y82-T101 PolarHBondContact OH-OG1 2.85Å
83	Y	86.3	Confident	80	Confident	48 Å²	48	55.5 Å²	55.5	19%	0.188	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	153.7	170.5	67.5	-90.2	0	0	0	111.4	T76 T78 M85 R98	T76-Y83 HydrophobicContact CG2-CE1 3.94Å; T76-Y83 HydrophobicContact CG2-CE2 4.47Å; T76-Y83 PolarHBondContact N-O 3.35Å; T76-Y83 PolarHBondContact O-N 2.94Å; T78-Y83 HydrophobicContact CG2-CD1 3.81Å; T78-Y83 HydrophobicContact CG2-CE1 3.57Å; Y83-M85 HydrophobicContact CD2-CG 3.85Å; Y83-M85 HydrophobicContact CD2-SD 4.38Å; Y83-M85 HydrophobicContact CE2-CG 3.73Å; Y83-M85 HydrophobicContact CE2-SD 3.69Å; Y83-R98 HydrophobicContact CD2-CB 4.01Å; Y83-R98 HydrophobicContact CD2-CG 3.68Å; Y83-R98 HydrophobicContact CE2-CG 3.99Å; Y83-R98 HydrophobicContact CG-CB 4.41Å; Y83-R98 HydrophobicContact CG-CG 4.39Å
84	C	86.3	Confident	79.9	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	140.5	178.5	-55.8	0	0	0	0	109.6	C69 N74 R98 F99	C69-C84 WeakPolarHBondContact CA-SG 3.09Å; C69-C84 HydrophobicContact CB-CB 3.55Å; C69-C84 WeakPolarHBondContact CB-SG 3.18Å; C69-C84 VanDerWaalsContact SG-CA 3.56Å; C69-C84 WeakPolarHBondContact SG-CB 3.47Å; C69-C84 CovalentContact SG-SG 2.02Å; C69-C84 PolarHBondContact SG-SG 3.31Å; N74-C84 WeakPolarHBondContact O-CA 3.25Å; C84-R98 WeakPolarHBondContact O-CA 3.22Å; C84-F99 HydrophobicContact CB-CD1 4.31Å; C84-F99 HydrophobicContact CB-CD2 3.81Å; C84-F99 HydrophobicContact CB-CE1 4.05Å; C84-F99 HydrophobicContact CB-CE2 3.52Å; C84-F99 HydrophobicContact CB-CG 4.2Å; C84-F99 HydrophobicContact CB-CZ 3.65Å; C84-F99 VanDerWaalsContact CB-O 3.32Å; C84-F99 WeakPolarHBondContact CB-O 3.37Å; C84-F99 PolarHBondContact N-O 2.97Å; C84-F99 WeakPolarHBondContact O-CD1 3.32Å; C84-F99 PolarHBondContact O-N 3.44Å
85	M	83.3	Confident	79.5	Confident	72 Å²	72	57.6 Å²	57.6	36%	0.355	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	138.4	169.8	-64	-173.4	61.3	0	0	109	A73 N74 Y83 V87 D97 R98	A73-M85 CarbonylContact C-O 3.5Å; A73-M85 WeakPolarHBondContact CA-O 3.2Å; N74-M85 PolarHBondContact N-O 2.83Å; N74-M85 PolarHBondContact O-N 2.95Å; Y83-M85 HydrophobicContact CD2-CG 3.85Å; Y83-M85 HydrophobicContact CD2-SD 4.38Å; Y83-M85 HydrophobicContact CE2-CG 3.73Å; Y83-M85 HydrophobicContact CE2-SD 3.69Å; M85-V87 PolarHBondContact O-N 3.43Å; M85-D97 WeakPolarHBondContact CG-O 3.44Å; M85-R98 HydrophobicContact CG-CG 4.04Å; M85-R98 HydrophobicContact SD-CG 4.28Å
86	C	82	Confident	79.1	Confident	27 Å²	27	60.9 Å²	60.9	18%	0.182	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	141	172.7	-65.9	0	0	0	0	110.1	F90 C107	C86-F90 HydrophobicContact CB-CB 3.96Å; C86-C107 WeakPolarHBondContact CA-SG 3.19Å; C86-C107 HydrophobicContact CB-CB 3.95Å; C86-C107 WeakPolarHBondContact CB-SG 3.3Å; C86-C107 VanDerWaalsContact SG-CA 3.52Å; C86-C107 WeakPolarHBondContact SG-CB 3.33Å; C86-C107 CovalentContact SG-SG 2.04Å; C86-C107 PolarHBondContact SG-SG 3.07Å
87	V	75.6	Confident	78.7	Confident	48 Å²	48	65.2 Å²	65.2	29%	0.291	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-63.5	153.5	173.9	-58.8	0	0	0	0	109.8	N72 M85 G89 F90	N72-V87 HydrophobicContact CB-CG2 4.1Å; N72-V87 WeakPolarHBondContact O-CG2 3.41Å; N72-V87 PolarHBondContact O-N 3.23Å; M85-V87 PolarHBondContact O-N 3.43Å; V87-G89 PolarHBondContact O-N 3.19Å; V87-F90 HydrophobicContact CG2-CD2 3.6Å; V87-F90 HydrophobicContact CG2-CE2 4.07Å; V87-F90 HydrophobicContact CG2-CG 4.46Å; V87-F90 PolarHBondContact O-N 3.24Å; V87-F90 VanDerWaalsContact O-N 3.09Å
88	P	64.8	Low	78.7	Confident	113 Å²	113	70.1 Å²	70.1	73%	0.734	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	131.6	176.4	-27.1	35.1	0	0	0	111.9
89	G	56.5	Low	78.7	Confident	32 Å²	32	68.1 Å²	68.1	33%	0.33	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.6	-12.7	-174.7	0	0	0	0	0	114.7	V87 N110	V87-G89 PolarHBondContact O-N 3.19Å; G89-N110 WeakPolarHBondContact O-CB 3.36Å; G89-N110 PolarHBondContact O-N 3.19Å
90	F	69.6	Low	78.4	Confident	59 Å²	59	64.7 Å²	64.7	26%	0.259	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	149.7	175.8	-65.1	-101.9	0	0	0	110.8	N72 C86 V87 C107 I108 E109	N72-F90 HydrophobicContact CB-CD1 3.97Å; N72-F90 HydrophobicContact CB-CD2 4.07Å; N72-F90 HydrophobicContact CB-CE1 3.99Å; N72-F90 HydrophobicContact CB-CE2 4.08Å; N72-F90 HydrophobicContact CB-CG 4.03Å; N72-F90 HydrophobicContact CB-CZ 4.04Å; C86-F90 HydrophobicContact CB-CB 3.96Å; V87-F90 HydrophobicContact CG2-CD2 3.6Å; V87-F90 HydrophobicContact CG2-CE2 4.07Å; V87-F90 HydrophobicContact CG2-CG 4.46Å; V87-F90 PolarHBondContact O-N 3.24Å; V87-F90 VanDerWaalsContact O-N 3.09Å; F90-C107 HydrophobicContact CB-CB 3.96Å; F90-C107 HydrophobicContact CD1-CB 4.35Å; F90-C107 HydrophobicContact CG-CB 4.44Å; F90-I108 CarbonylContact C-O 3.55Å; F90-I108 WeakPolarHBondContact CA-O 3.32Å; F90-E109 HydrophobicContact CD1-CB 4.34Å; F90-E109 HydrophobicContact CE1-CB 4.14Å; F90-E109 HydrophobicContact CE1-CG 4.47Å
91	R	77.7	Confident	77.8	Confident	123 Å²	123	65 Å²	65	46%	0.464	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	151.9	170.5	67.7	176.2	-180	165.5	-0.1	109.9	I108	R91-I108 HydrophobicContact CG-CD1 4.16Å; R91-I108 HydrophobicContact CG-CG1 3.72Å; R91-I108 PolarHBondContact N-O 2.81Å; R91-I108 VanDerWaalsContact O-CG1 3.24Å; R91-I108 WeakPolarHBondContact O-CG1 3.5Å; R91-I108 PolarHBondContact O-N 2.87Å
92	S	80.6	Confident	76.8	Confident	7 Å²	7	70.2 Å²	70.2	5%	0.049	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	144.7	174.4	57.1	0	0	0	0	110.8	S94 N95 Q96 I106	S92-S94 PolarHBondContact O-N 3.41Å; S92-N95 PolarHBondContact O-N 3Å; S92-N95 VanDerWaalsContact O-N 3.12Å; S92-N95 WeakPolarHBondContact OG-CA 3.27Å; S92-N95 PolarHBondContact OG-N 3.47Å; S92-Q96 WeakPolarHBondContact CB-O 3.5Å; S92-Q96 PolarHBondContact OG-N 2.91Å; S92-Q96 PolarHBondContact OG-O 3.35Å; S92-I106 CarbonylContact C-O 3.59Å
93	S	78.6	Confident	75.9	Confident	59 Å²	59	73.5 Å²	73.5	41%	0.413	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-23.9	173.6	56.5	0	0	0	0	112.9	I106	S93-I106 PolarHBondContact N-O 3.29Å; S93-I106 PolarHBondContact OG-N 2.89Å; S93-I106 VanDerWaalsContact OG-N 3.1Å; S93-I106 PolarHBondContact OG-O 3.25Å
94	S	79.1	Confident	75	Confident	50 Å²	50	74.3 Å²	74.3	35%	0.35	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	0.7	178.5	56.5	0	0	0	0	114.5	S92 Q96 T105	S92-S94 PolarHBondContact O-N 3.41Å; S94-Q96 PolarHBondContact O-N 3.36Å; S94-T105 VanDerWaalsContact OG-CG2 3.3Å; S94-T105 WeakPolarHBondContact OG-CG2 3.32Å; S94-T105 PolarHBondContact OG-OG1 2.87Å
95	N	74	Confident	74.6	Confident	120 Å²	120	75.3 Å²	75.3	64%	0.642	42%	0.417	S	S	*	.			trans	55.4	25.1	-173.9	-71.7	-32	0	0	0	114.8	S92	S92-N95 PolarHBondContact O-N 3Å; S92-N95 VanDerWaalsContact O-N 3.12Å; S92-N95 WeakPolarHBondContact OG-CA 3.27Å; S92-N95 PolarHBondContact OG-N 3.47Å
96	Q	77.4	Confident	74.5	Confident	101 Å²	101	77 Å²	77	47%	0.472	43%	0.427	S	S	.	.			trans	-96.5	137.3	170.9	-66	-178.5	-9.4	0	0	110.9	S92 S94 R98	S92-Q96 WeakPolarHBondContact CB-O 3.5Å; S92-Q96 PolarHBondContact OG-N 2.91Å; S92-Q96 PolarHBondContact OG-O 3.35Å; S94-Q96 PolarHBondContact O-N 3.36Å; Q96-R98 VanDerWaalsContact C-N 3.28Å; Q96-R98 PolarHBondContact O-N 2.95Å
97	D	76.5	Confident	74.3	Confident	140 Å²	140	76.6 Å²	76.6	75%	0.749	42%	0.424	S	S	*	.	S	Bend	trans	-69.7	-26.8	178.3	-69.6	-29.4	0	0	0	112.8	M85	M85-D97 WeakPolarHBondContact CG-O 3.44Å
98	R	84.9	Confident	74.4	Confident	149 Å²	149	77.2 Å²	77.2	56%	0.562	43%	0.425	S	S	*	.	S	Bend	trans	-132.9	135.1	179.8	-60.8	-178.7	-177.4	178.6	0.6	109.9	Y83 C84 M85 Q96	Y83-R98 HydrophobicContact CD2-CB 4.01Å; Y83-R98 HydrophobicContact CD2-CG 3.68Å; Y83-R98 HydrophobicContact CE2-CG 3.99Å; Y83-R98 HydrophobicContact CG-CB 4.41Å; Y83-R98 HydrophobicContact CG-CG 4.39Å; C84-R98 WeakPolarHBondContact O-CA 3.22Å; M85-R98 HydrophobicContact CG-CG 4.04Å; M85-R98 HydrophobicContact SD-CG 4.28Å; Q96-R98 VanDerWaalsContact C-N 3.28Å; Q96-R98 PolarHBondContact O-N 2.95Å
99	F	84.4	Confident	74.2	Confident	10 Å²	10	77.3 Å²	77.3	4%	0.044	42%	0.416	C	S	.	.	B	Isolated β-bridge	trans	-143	163.6	179.4	61.1	-85.9	0	0	0	111.9	A73 C84 T105	A73-F99 HydrophobicContact CB-CZ 3.96Å; C84-F99 HydrophobicContact CB-CD1 4.31Å; C84-F99 HydrophobicContact CB-CD2 3.81Å; C84-F99 HydrophobicContact CB-CE1 4.05Å; C84-F99 HydrophobicContact CB-CE2 3.52Å; C84-F99 HydrophobicContact CB-CG 4.2Å; C84-F99 HydrophobicContact CB-CZ 3.65Å; C84-F99 VanDerWaalsContact CB-O 3.32Å; C84-F99 WeakPolarHBondContact CB-O 3.37Å; C84-F99 PolarHBondContact N-O 2.97Å; C84-F99 WeakPolarHBondContact O-CD1 3.32Å; C84-F99 PolarHBondContact O-N 3.44Å; F99-T105 HydrophobicContact CB-CG2 4.12Å; F99-T105 HydrophobicContact CD1-CG2 4Å; F99-T105 HydrophobicContact CD2-CG2 3.93Å; F99-T105 HydrophobicContact CE1-CG2 4.4Å; F99-T105 HydrophobicContact CE2-CG2 4.33Å; F99-T105 HydrophobicContact CG-CG2 3.76Å
100	I	77.8	Confident	74.4	Confident	89 Å²	89	78.8 Å²	78.8	46%	0.456	42%	0.416	S	S	.	.			trans	-109.4	161.6	174.7	56	170.1	0	0	0	111	Y82	Y82-I100 WeakPolarHBondContact O-CG2 3.34Å
101	T	66.2	Low	73.6	Confident	28 Å²	28	82.1 Å²	82.1	17%	0.172	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	141.9	-177.4	76.5	0	0	0	0	108.9	S68 Y82	S68-T101 WeakPolarHBondContact O-CB 3.43Å; S68-T101 WeakPolarHBondContact O-CG2 3.46Å; Y82-T101 HydrophobicContact CE2-CG2 3.62Å; Y82-T101 WeakPolarHBondContact OH-CB 3.38Å; Y82-T101 PolarHBondContact OH-N 2.89Å; Y82-T101 PolarHBondContact OH-OG1 2.85Å
102	N	63.9	Low	72.3	Confident	164 Å²	164	83.3 Å²	83.3	88%	0.877	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.2	1	-171.5	-46.2	-51.8	0	0	0	117.1	G104	N102-G104 PolarHBondContact O-N 2.95Å
103	D	68.2	Low	70.7	Confident	104 Å²	104	85.6 Å²	85.6	56%	0.556	48%	0.475	S	S	*	.	S	Bend	trans	-86.4	13.6	172.9	-155.9	24.4	0	0	0	113.3	T105	D103-T105 PolarHBondContact O-N 3.48Å
104	G	67.8	Low	69.5	Low	66 Å²	66	89.3 Å²	89.3	68%	0.68	49%	0.491	S	S	*	.			trans	65.6	5.8	-178.8	0	0	0	0	0	115.4	N102	N102-G104 PolarHBondContact O-N 2.95Å
105	T	78.2	Confident	68.3	Low	20 Å²	20	88.5 Å²	88.5	12%	0.123	49%	0.485	C	S	.	.			trans	-77.1	128.5	179.9	-64	0	0	0	0	110.6	S94 F99 D103	S94-T105 VanDerWaalsContact OG-CG2 3.3Å; S94-T105 WeakPolarHBondContact OG-CG2 3.32Å; S94-T105 PolarHBondContact OG-OG1 2.87Å; F99-T105 HydrophobicContact CB-CG2 4.12Å; F99-T105 HydrophobicContact CD1-CG2 4Å; F99-T105 HydrophobicContact CD2-CG2 3.93Å; F99-T105 HydrophobicContact CE1-CG2 4.4Å; F99-T105 HydrophobicContact CE2-CG2 4.33Å; F99-T105 HydrophobicContact CG-CG2 3.76Å; D103-T105 PolarHBondContact O-N 3.48Å
106	I	80	Confident	67.5	Low	109 Å²	109	89.7 Å²	89.7	56%	0.559	49%	0.486	S	S	*	.			trans	-123.1	151.6	177.3	58.8	169.7	0	0	0	110.5	S92 S93 I108	S92-I106 CarbonylContact C-O 3.59Å; S93-I106 PolarHBondContact N-O 3.29Å; S93-I106 PolarHBondContact OG-N 2.89Å; S93-I106 VanDerWaalsContact OG-N 3.1Å; S93-I106 PolarHBondContact OG-O 3.25Å; I106-I108 HydrophobicContact CD1-CG2 4.16Å; I106-I108 HydrophobicContact CG1-CG2 4.17Å; I106-I108 PolarHBondContact O-N 3.4Å
107	C	79.2	Confident	66.6	Low	17 Å²	17	87.7 Å²	87.7	12%	0.115	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	114.2	174.6	-68.3	0	0	0	0	110.1	N72 C86 F90	N72-C107 HydrophobicContact CB-CB 4.27Å; C86-C107 WeakPolarHBondContact CA-SG 3.19Å; C86-C107 HydrophobicContact CB-CB 3.95Å; C86-C107 WeakPolarHBondContact CB-SG 3.3Å; C86-C107 VanDerWaalsContact SG-CA 3.52Å; C86-C107 WeakPolarHBondContact SG-CB 3.33Å; C86-C107 CovalentContact SG-SG 2.04Å; C86-C107 PolarHBondContact SG-SG 3.07Å; F90-C107 HydrophobicContact CB-CB 3.96Å; F90-C107 HydrophobicContact CD1-CB 4.35Å; F90-C107 HydrophobicContact CG-CB 4.44Å
108	I	77.3	Confident	66.1	Low	61 Å²	61	85 Å²	85	31%	0.313	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	142.7	176.9	57.1	170.6	0	0	0	110.6	F90 R91 I106 N110	F90-I108 CarbonylContact C-O 3.55Å; F90-I108 WeakPolarHBondContact CA-O 3.32Å; R91-I108 HydrophobicContact CG-CD1 4.16Å; R91-I108 HydrophobicContact CG-CG1 3.72Å; R91-I108 PolarHBondContact N-O 2.81Å; R91-I108 VanDerWaalsContact O-CG1 3.24Å; R91-I108 WeakPolarHBondContact O-CG1 3.5Å; R91-I108 PolarHBondContact O-N 2.87Å; I106-I108 HydrophobicContact CD1-CG2 4.16Å; I106-I108 HydrophobicContact CG1-CG2 4.17Å; I106-I108 PolarHBondContact O-N 3.4Å; I108-N110 PolarHBondContact O-N 2.82Å
109	E	60.2	Low	65.3	Low	116 Å²	116	83.4 Å²	83.4	54%	0.542	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	134	-176.5	-164.5	175.6	-162.8	0	0	111.5	F90 V111	F90-E109 HydrophobicContact CD1-CB 4.34Å; F90-E109 HydrophobicContact CE1-CB 4.14Å; F90-E109 HydrophobicContact CE1-CG 4.47Å; E109-V111 PolarHBondContact O-N 2.82Å
110	N	60	Low	64.6	Low	62 Å²	62	86.3 Å²	86.3	33%	0.332	49%	0.492	S	S	.	.			trans	-85.1	100.7	179.5	-169.4	2.9	0	0	0	110.2	G89 I108 N112	G89-N110 WeakPolarHBondContact O-CB 3.36Å; G89-N110 PolarHBondContact O-N 3.19Å; I108-N110 PolarHBondContact O-N 2.82Å; N110-N112 PolarHBondContact O-N 2.87Å
111	V	52.8	Low	64.3	Low	130 Å²	130	83.5 Å²	83.5	79%	0.788	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-10.9	-174.3	-172.9	0	0	0	0	113.6	E109	E109-V111 PolarHBondContact O-N 2.82Å
112	N	51	Low	64.6	Low	148 Å²	148	82.8 Å²	82.8	79%	0.791	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.2	22.1	-169.3	-94.8	16.2	0	0	0	116.6	N110	N110-N112 PolarHBondContact O-N 2.87Å
113	A	48.1	Very low	65.2	Low	54 Å²	54	77.1 Å²	77.1	45%	0.446	45%	0.451	S	S	.	.	S	Bend	trans	-136.7	107.3	169.9	0	0	0	0	0	111.1
114	N	52.1	Low	65.6	Low	138 Å²	138	75 Å²	75	74%	0.738	45%	0.448	S	S	*	.			trans	30.4	99.4	163	-65.4	-16.1	0	0	0	116.3	H116	N114-H116 PolarHBondContact O-N 2.9Å
115	C	55.3	Low	66	Low	33 Å²	33	73.9 Å²	73.9	22%	0.223	43%	0.426	C	S	.	.			trans	-47	114.3	169.3	-66.6	0	0	0	0	109.8	L117 C121 T157	C115-L117 PolarHBondContact O-N 3.36Å; C115-C121 HydrophobicContact CB-CB 3.83Å; C115-C121 WeakPolarHBondContact CB-SG 3.35Å; C115-C121 WeakPolarHBondContact SG-CB 3.35Å; C115-C121 CovalentContact SG-SG 2.04Å; C115-C121 PolarHBondContact SG-SG 3.25Å; C115-T157 HydrophobicContact CB-CG2 4.32Å
116	H	56.2	Low	66.1	Low	144 Å²	144	74 Å²	74	67%	0.667	43%	0.426	S	S	*	.			trans	-76.3	57.6	173.8	-80.7	-84	0	0	0	110.9	N114 D118	N114-H116 PolarHBondContact O-N 2.9Å; H116-D118 PolarHBondContact O-N 3.41Å
117	L	58.8	Low	66.2	Low	59 Å²	59	73.5 Å²	73.5	31%	0.309	43%	0.425	S	S	.	.	S	Bend	trans	57.8	18.3	176.2	-72.5	150	0	0	0	115.6	C115 N119 I122 I160 L213	C115-L117 PolarHBondContact O-N 3.36Å; L117-N119 PolarHBondContact O-N 3.4Å; L117-I122 HydrophobicContact CD2-CD1 4.37Å; L117-I160 HydrophobicContact CD2-CD1 4.02Å; L117-L213 HydrophobicContact CD1-CD2 4.25Å; L117-L213 HydrophobicContact CD2-CD2 3.34Å; L117-L213 HydrophobicContact CG-CD2 4.37Å
118	D	66	Low	66.4	Low	83 Å²	83	78.7 Å²	78.7	44%	0.444	45%	0.445	S	S	.	.			trans	-67.5	130.7	172.5	176.7	70.3	0	0	0	111	H116 A120 C121 I122	H116-D118 PolarHBondContact O-N 3.41Å; D118-A120 VanDerWaalsContact C-N 3.31Å; D118-A120 PolarHBondContact O-N 2.98Å; D118-A120 WeakPolarHBondContact OD2-CA 3.3Å; D118-A120 VanDerWaalsContact OD2-CB 3.31Å; D118-A120 WeakPolarHBondContact OD2-CB 3.49Å; D118-A120 PolarHBondContact OD2-N 3.22Å; D118-C121 HydrophobicContact CB-CB 4.03Å; D118-C121 PolarHBondContact O-N 3.09Å; D118-C121 PolarHBondContact OD2-N 3.21Å; D118-I122 VanDerWaalsContact O-CG1 3.28Å; D118-I122 WeakPolarHBondContact O-CG1 3.44Å; D118-I122 PolarHBondContact O-N 3.12Å
119	N	68.6	Low	66.5	Low	117 Å²	117	76.7 Å²	76.7	63%	0.626	44%	0.436	S	S	*	.	H	α-helix	trans	-63.7	-33.9	-174.5	-75.3	-26.9	0	0	0	112.7	L117 A123	L117-N119 PolarHBondContact O-N 3.4Å; N119-A123 VanDerWaalsContact O-CB 3.3Å; N119-A123 WeakPolarHBondContact O-CB 3.34Å; N119-A123 PolarHBondContact O-N 3.41Å
120	A	69.1	Low	67.5	Low	70 Å²	70	72.4 Å²	72.4	58%	0.579	42%	0.416	S	S	*	.	H	α-helix	trans	-74.2	-40.6	178.7	0	0	0	0	0	111	D118 A123 A124	D118-A120 VanDerWaalsContact C-N 3.31Å; D118-A120 PolarHBondContact O-N 2.98Å; D118-A120 WeakPolarHBondContact OD2-CA 3.3Å; D118-A120 VanDerWaalsContact OD2-CB 3.31Å; D118-A120 WeakPolarHBondContact OD2-CB 3.49Å; D118-A120 PolarHBondContact OD2-N 3.22Å; A120-A123 PolarHBondContact O-N 2.84Å; A120-A124 WeakPolarHBondContact O-CB 3.35Å; A120-A124 PolarHBondContact O-N 2.79Å
121	C	71.9	Confident	68.5	Low	31 Å²	31	74.2 Å²	74.2	21%	0.209	43%	0.43	C	S	.	.	H	α-helix	trans	-62.5	-45.3	174.3	-163	0	0	0	0	111.7	C115 D118 A124 N125	C115-C121 HydrophobicContact CB-CB 3.83Å; C115-C121 WeakPolarHBondContact CB-SG 3.35Å; C115-C121 WeakPolarHBondContact SG-CB 3.35Å; C115-C121 CovalentContact SG-SG 2.04Å; C115-C121 PolarHBondContact SG-SG 3.25Å; D118-C121 HydrophobicContact CB-CB 4.03Å; D118-C121 PolarHBondContact O-N 3.09Å; D118-C121 PolarHBondContact OD2-N 3.21Å; C121-A124 PolarHBondContact O-N 3.17Å; C121-N125 PolarHBondContact O-N 3.36Å
122	I	72.3	Confident	69.8	Low	13 Å²	13	75.1 Å²	75.1	7%	0.067	42%	0.424	C	S	.	.	H	α-helix	trans	-59.6	-48.8	174.8	-68.9	167.2	0	0	0	110.3	L117 D118 A124 N125 I126 T157 I160	L117-I122 HydrophobicContact CD2-CD1 4.37Å; D118-I122 VanDerWaalsContact O-CG1 3.28Å; D118-I122 WeakPolarHBondContact O-CG1 3.44Å; D118-I122 PolarHBondContact O-N 3.12Å; I122-A124 VanDerWaalsContact C-N 3.33Å; I122-A124 PolarHBondContact O-N 2.66Å; I122-N125 PolarHBondContact O-N 2.92Å; I122-I126 HydrophobicContact CG2-CD1 3.6Å; I122-I126 HydrophobicContact CG2-CG1 4.33Å; I122-I126 VanDerWaalsContact O-CG1 3.27Å; I122-I126 WeakPolarHBondContact O-CG1 3.3Å; I122-I126 PolarHBondContact O-N 3.4Å; I122-T157 HydrophobicContact CG1-CG2 4.35Å; I122-I160 HydrophobicContact CD1-CD1 4.2Å; I122-I160 HydrophobicContact CG2-CG2 3.69Å
123	A	76.6	Confident	71.2	Confident	44 Å²	44	68.6 Å²	68.6	36%	0.364	39%	0.389	S	S	.	.	H	α-helix	trans	-61.6	-39.3	179.2	0	0	0	0	0	112.7	N119 A120 I126 N127	N119-A123 VanDerWaalsContact O-CB 3.3Å; N119-A123 WeakPolarHBondContact O-CB 3.34Å; N119-A123 PolarHBondContact O-N 3.41Å; A120-A123 PolarHBondContact O-N 2.84Å; A123-I126 PolarHBondContact O-N 3.34Å; A123-N127 WeakPolarHBondContact O-CB 3.48Å; A123-N127 PolarHBondContact O-N 2.7Å; A123-N127 PolarHBondContact O-ND2 3.15Å
124	A	76.2	Confident	72.7	Confident	60 Å²	60	75.5 Å²	75.5	50%	0.496	40%	0.403	S	S	.	.	H	α-helix	trans	-64.9	-41.9	175.1	0	0	0	0	0	111.9	A120 C121 I122 N127 K128	A120-A124 WeakPolarHBondContact O-CB 3.35Å; A120-A124 PolarHBondContact O-N 2.79Å; C121-A124 PolarHBondContact O-N 3.17Å; I122-A124 VanDerWaalsContact C-N 3.33Å; I122-A124 PolarHBondContact O-N 2.66Å; A124-N127 PolarHBondContact O-N 2.86Å; A124-K128 WeakPolarHBondContact O-CB 3.45Å; A124-K128 PolarHBondContact O-N 3.19Å
125	N	76	Confident	74.1	Confident	42 Å²	42	73.4 Å²	73.4	23%	0.225	40%	0.397	C	S	.	.	H	α-helix	trans	-67.3	-38.4	177.1	-164.5	50	0	0	0	112.3	C121 I122 K128 T129 T161	C121-N125 PolarHBondContact O-N 3.36Å; I122-N125 PolarHBondContact O-N 2.92Å; N125-K128 PolarHBondContact O-N 3.08Å; N125-T129 WeakPolarHBondContact O-CB 3.32Å; N125-T129 PolarHBondContact O-N 3.09Å; N125-T129 PolarHBondContact O-OG1 2.94Å; N125-T161 PolarHBondContact ND2-OG1 3.39Å
126	I	79.8	Confident	75.3	Confident	23 Å²	23	74.2 Å²	74.2	12%	0.118	40%	0.398	C	S	.	.	H	α-helix	trans	-59	-53.5	172	-70.4	162.7	0	0	0	109.9	I122 A123 K128 T129 L130 T161 E164	I122-I126 HydrophobicContact CG2-CD1 3.6Å; I122-I126 HydrophobicContact CG2-CG1 4.33Å; I122-I126 VanDerWaalsContact O-CG1 3.27Å; I122-I126 WeakPolarHBondContact O-CG1 3.3Å; I122-I126 PolarHBondContact O-N 3.4Å; A123-I126 PolarHBondContact O-N 3.34Å; I126-K128 VanDerWaalsContact C-N 3.33Å; I126-K128 PolarHBondContact O-N 3.44Å; I126-T129 PolarHBondContact O-N 2.94Å; I126-T129 VanDerWaalsContact O-N 3.1Å; I126-L130 VanDerWaalsContact O-CB 3.28Å; I126-L130 WeakPolarHBondContact O-CB 3.28Å; I126-L130 PolarHBondContact O-N 3.34Å; I126-T161 HydrophobicContact CG1-CG2 4.14Å; I126-E164 HydrophobicContact CD1-CB 4.12Å; I126-E164 HydrophobicContact CD1-CG 4.07Å; I126-E164 HydrophobicContact CG1-CB 4.34Å; I126-E164 HydrophobicContact CG2-CB 4.31Å; I126-E164 HydrophobicContact CG2-CG 3.94Å
127	N	82.8	Confident	76.1	Confident	99 Å²	99	76.8 Å²	76.8	53%	0.529	41%	0.408	S	S	.	.	H	α-helix	trans	-59	-43.4	179.7	-78	-29.3	0	0	0	112.2	A123 A124 T129 L130 T131	A123-N127 WeakPolarHBondContact O-CB 3.48Å; A123-N127 PolarHBondContact O-N 2.7Å; A123-N127 PolarHBondContact O-ND2 3.15Å; A124-N127 PolarHBondContact O-N 2.86Å; N127-T129 VanDerWaalsContact C-N 3.31Å; N127-T129 PolarHBondContact O-N 2.94Å; N127-L130 PolarHBondContact O-N 2.98Å; N127-T131 VanDerWaalsContact O-CG2 3.32Å; N127-T131 WeakPolarHBondContact O-CG2 3.25Å; N127-T131 PolarHBondContact O-N 3.47Å; N127-T131 PolarHBondContact O-OG1 2.7Å
128	K	82.7	Confident	77.2	Confident	125 Å²	125	79 Å²	79	54%	0.543	42%	0.417	S	S	.	.	H	α-helix	trans	-60.9	-38.4	175.9	-176.4	-179.3	179.9	-178.1	0	112.4	A124 N125 I126 T131	A124-K128 WeakPolarHBondContact O-CB 3.45Å; A124-K128 PolarHBondContact O-N 3.19Å; N125-K128 PolarHBondContact O-N 3.08Å; I126-K128 VanDerWaalsContact C-N 3.33Å; I126-K128 PolarHBondContact O-N 3.44Å; K128-T131 PolarHBondContact O-OG1 3.12Å
129	T	81.2	Confident	77.9	Confident	20 Å²	20	75.5 Å²	75.5	12%	0.123	40%	0.398	C	S	.	.	H	α-helix	trans	-78.3	-39.7	179.7	-52.1	0	0	0	0	111	N125 I126 N127 T131 K132 I133 T161 Y162 I165	N125-T129 WeakPolarHBondContact O-CB 3.32Å; N125-T129 PolarHBondContact O-N 3.09Å; N125-T129 PolarHBondContact O-OG1 2.94Å; I126-T129 PolarHBondContact O-N 2.94Å; I126-T129 VanDerWaalsContact O-N 3.1Å; N127-T129 VanDerWaalsContact C-N 3.31Å; N127-T129 PolarHBondContact O-N 2.94Å; T129-T131 VanDerWaalsContact C-N 3.35Å; T129-T131 PolarHBondContact O-N 3.13Å; T129-K132 WeakPolarHBondContact O-CB 3.44Å; T129-K132 PolarHBondContact O-N 3.41Å; T129-K132 VanDerWaalsContact O-N 3.12Å; T129-I133 HydrophobicContact CG2-CD1 3.86Å; T129-I133 WeakPolarHBondContact O-CG1 3.29Å; T129-I133 PolarHBondContact O-N 2.86Å; T129-T161 HydrophobicContact CG2-CG2 4.25Å; T129-Y162 HydrophobicContact CG2-CE1 4.44Å; T129-I165 HydrophobicContact CG2-CD1 3.44Å; T129-I165 VanDerWaalsContact CG2-CD1 3.44Å
130	L	81	Confident	78.6	Confident	25 Å²	25	70 Å²	70	13%	0.131	37%	0.369	C	S	.	.	H	α-helix	trans	-59.9	-42.9	176.5	-169.8	74.4	0	0	0	111.7	I126 N127 K132 I133 R134 E168	I126-L130 VanDerWaalsContact O-CB 3.28Å; I126-L130 WeakPolarHBondContact O-CB 3.28Å; I126-L130 PolarHBondContact O-N 3.34Å; N127-L130 PolarHBondContact O-N 2.98Å; L130-K132 PolarHBondContact O-N 3.43Å; L130-I133 PolarHBondContact O-N 3.44Å; L130-I133 VanDerWaalsContact O-N 3.09Å; L130-R134 VanDerWaalsContact O-CB 3.25Å; L130-R134 WeakPolarHBondContact O-CB 3.48Å; L130-R134 PolarHBondContact O-N 2.97Å; L130-E168 VanDerWaalsContact CD1-OE2 3.29Å; L130-E168 WeakPolarHBondContact CD1-OE2 3.25Å; L130-E168 WeakPolarHBondContact CD2-OE1 3.32Å; L130-E168 VanDerWaalsContact CD2-OE2 3.25Å; L130-E168 WeakPolarHBondContact CD2-OE2 3.47Å
131	T	80.9	Confident	79.4	Confident	101 Å²	101	68.3 Å²	68.3	62%	0.62	36%	0.355	S	S	*	.	H	α-helix	trans	-59.7	-31.1	176.4	52.3	0	0	0	0	113.5	N127 K128 T129	N127-T131 VanDerWaalsContact O-CG2 3.32Å; N127-T131 WeakPolarHBondContact O-CG2 3.25Å; N127-T131 PolarHBondContact O-N 3.47Å; N127-T131 PolarHBondContact O-OG1 2.7Å; K128-T131 PolarHBondContact O-OG1 3.12Å; T129-T131 VanDerWaalsContact C-N 3.35Å; T129-T131 PolarHBondContact O-N 3.13Å
132	K	80.3	Confident	80.1	Confident	149 Å²	149	67.3 Å²	67.3	65%	0.648	35%	0.347	S	S	*	.	H	α-helix	trans	-74.5	-34.2	175.1	-65.6	177	178.3	-179.3	0	112.7	T129 L130 P135	T129-K132 WeakPolarHBondContact O-CB 3.44Å; T129-K132 PolarHBondContact O-N 3.41Å; T129-K132 VanDerWaalsContact O-N 3.12Å; L130-K132 PolarHBondContact O-N 3.43Å; K132-P135 WeakPolarHBondContact O-CD 3.07Å
133	I	79.4	Confident	80.8	Confident	11 Å²	11	66.7 Å²	66.7	6%	0.056	34%	0.344	C	S	.	.	H	α-helix	trans	-92.7	-31.7	-170.2	-69.1	178.5	0	0	0	112.4	T129 L130 P135 I136 L142 I165	T129-I133 HydrophobicContact CG2-CD1 3.86Å; T129-I133 WeakPolarHBondContact O-CG1 3.29Å; T129-I133 PolarHBondContact O-N 2.86Å; L130-I133 PolarHBondContact O-N 3.44Å; L130-I133 VanDerWaalsContact O-N 3.09Å; I133-P135 VanDerWaalsContact C-N 3.28Å; I133-P135 WeakPolarHBondContact O-CD 3.3Å; I133-P135 VanDerWaalsContact O-N 3.11Å; I133-I136 WeakPolarHBondContact O-CB 3.36Å; I133-I136 WeakPolarHBondContact O-CG1 3.45Å; I133-I136 PolarHBondContact O-N 3.36Å; I133-L142 HydrophobicContact CG2-CD1 3.08Å; I133-L142 HydrophobicContact CG2-CG 4.47Å; I133-I165 HydrophobicContact CD1-CD1 3.96Å; I133-I165 HydrophobicContact CD1-CG2 4.03Å; I133-I165 HydrophobicContact CG2-CG2 4.28Å
134	R	78.6	Confident	81.4	Confident	199 Å²	199	70.8 Å²	70.8	75%	0.751	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-31.2	-179.8	-167.3	174.5	-174.3	171	3.8	115.7	L130 I136	L130-R134 VanDerWaalsContact O-CB 3.25Å; L130-R134 WeakPolarHBondContact O-CB 3.48Å; L130-R134 PolarHBondContact O-N 2.97Å; R134-I136 PolarHBondContact O-N 2.99Å
135	P	82.6	Confident	81.9	Confident	94 Å²	94	71.3 Å²	71.3	61%	0.61	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-20.3	174.4	-23.7	35.5	0	0	0	114.6	K132 I133 K137	K132-P135 WeakPolarHBondContact O-CD 3.07Å; I133-P135 VanDerWaalsContact C-N 3.28Å; I133-P135 WeakPolarHBondContact O-CD 3.3Å; I133-P135 VanDerWaalsContact O-N 3.11Å; P135-K137 PolarHBondContact O-N 2.7Å
136	I	80.1	Confident	82.4	Confident	49 Å²	49	69.3 Å²	69.3	25%	0.251	33%	0.331	S	S	.	.			trans	-77.8	107.6	-177.9	-54.4	173.1	0	0	0	109.4	I133 R134 A141 L142 E145	I133-I136 WeakPolarHBondContact O-CB 3.36Å; I133-I136 WeakPolarHBondContact O-CG1 3.45Å; I133-I136 PolarHBondContact O-N 3.36Å; R134-I136 PolarHBondContact O-N 2.99Å; I136-A141 HydrophobicContact CG2-CB 3.84Å; I136-L142 HydrophobicContact CB-CD1 4.32Å; I136-L142 HydrophobicContact CG2-CB 4.02Å; I136-E145 HydrophobicContact CD1-CB 4.16Å; I136-E145 HydrophobicContact CD1-CG 4.19Å
137	K	74.3	Confident	82.8	Confident	199 Å²	199	72.2 Å²	72.2	87%	0.865	34%	0.342	S	S	*	.			trans	-88.5	-21.5	-177.9	-64.7	-175.6	-179	178.7	0	114.2	P135 P139	P135-K137 PolarHBondContact O-N 2.7Å; K137-P139 WeakPolarHBondContact O-CD 3.43Å
138	E	80.8	Confident	83	Confident	106 Å²	106	76.2 Å²	76.2	50%	0.495	35%	0.349	S	S	.	.			trans	-87	121.1	-177.4	-171.7	-175.2	172.1	0	0	110.5	V140 A141 L142	E138-V140 VanDerWaalsContact C-N 3.29Å; E138-V140 PolarHBondContact O-N 2.72Å; E138-A141 HydrophobicContact CB-CB 3.97Å; E138-A141 HydrophobicContact CG-CB 4.44Å; E138-A141 PolarHBondContact O-N 2.91Å; E138-L142 WeakPolarHBondContact O-CB 3.44Å; E138-L142 PolarHBondContact O-N 2.93Å
139	P	79.8	Confident	83.1	Confident	8 Å²	8	72.7 Å²	72.7	5%	0.052	34%	0.336	C	S	.	.	H	α-helix	trans	-54.8	-38.7	-178.5	-31.8	38.9	0	0	0	114.5	K137 L143 L173 Y175 T190	K137-P139 WeakPolarHBondContact O-CD 3.43Å; P139-L143 WeakPolarHBondContact O-CG 3.27Å; P139-L143 PolarHBondContact O-N 3.49Å; P139-L143 VanDerWaalsContact O-N 3.13Å; P139-L173 HydrophobicContact CB-CD2 3.7Å; P139-Y175 WeakPolarHBondContact CB-OH 3.29Å; P139-Y175 WeakPolarHBondContact CD-OH 3.34Å; P139-Y175 HydrophobicContact CG-CE1 3.75Å; P139-Y175 HydrophobicContact CG-CE2 4.26Å; P139-Y175 WeakPolarHBondContact CG-OH 3.48Å; P139-T190 HydrophobicContact CB-CG2 4Å
140	V	84.5	Confident	83.2	Confident	3 Å²	3	72 Å²	72	2%	0.018	33%	0.332	C	S	.	.	H	α-helix	trans	-71.3	-43.4	179.8	-178.1	0	0	0	0	111.2	E138 L142 L143 R144 L186 T190	E138-V140 VanDerWaalsContact C-N 3.29Å; E138-V140 PolarHBondContact O-N 2.72Å; V140-L142 VanDerWaalsContact C-N 3.29Å; V140-L142 PolarHBondContact O-N 2.88Å; V140-L143 PolarHBondContact O-N 3.4Å; V140-R144 WeakPolarHBondContact O-CG 3.46Å; V140-R144 PolarHBondContact O-N 3.41Å; V140-L186 HydrophobicContact CG2-CD1 4.2Å; V140-T190 HydrophobicContact CG2-CG2 4.49Å; V140-T190 VanDerWaalsContact CG2-OG1 3.3Å; V140-T190 WeakPolarHBondContact CG2-OG1 3.45Å
141	A	85.9	Confident	83.1	Confident	34 Å²	34	75 Å²	75	28%	0.281	35%	0.352	S	S	.	.	H	α-helix	trans	-63.6	-38	178	0	0	0	0	0	111.6	I136 E138 R144 E145	I136-A141 HydrophobicContact CG2-CB 3.84Å; E138-A141 HydrophobicContact CB-CB 3.97Å; E138-A141 HydrophobicContact CG-CB 4.44Å; E138-A141 PolarHBondContact O-N 2.91Å; A141-R144 PolarHBondContact O-N 3.31Å; A141-E145 PolarHBondContact O-N 3.44Å; A141-E145 VanDerWaalsContact O-N 3.08Å
142	L	86.5	Confident	82.4	Confident	9 Å²	9	75 Å²	75	5%	0.047	35%	0.352	C	S	.	.	H	α-helix	trans	-59.8	-52.4	174.4	179.5	77.3	0	0	0	111.5	I133 I136 E138 V140 R144 E145 V146	I133-L142 HydrophobicContact CG2-CD1 3.08Å; I133-L142 HydrophobicContact CG2-CG 4.47Å; I136-L142 HydrophobicContact CB-CD1 4.32Å; I136-L142 HydrophobicContact CG2-CB 4.02Å; E138-L142 WeakPolarHBondContact O-CB 3.44Å; E138-L142 PolarHBondContact O-N 2.93Å; V140-L142 VanDerWaalsContact C-N 3.29Å; V140-L142 PolarHBondContact O-N 2.88Å; L142-R144 VanDerWaalsContact C-N 3.3Å; L142-R144 PolarHBondContact O-N 3.36Å; L142-E145 WeakPolarHBondContact O-CB 3.39Å; L142-E145 PolarHBondContact O-N 2.95Å; L142-V146 PolarHBondContact O-N 2.91Å; L142-V146 VanDerWaalsContact O-N 3.12Å
143	L	86.9	Confident	81.8	Confident	0 Å²	0	76.2 Å²	76.2	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-62.5	-38	179.9	-71.4	169.4	0	0	0	111.6	P139 V140 E145 V146 Y147 L166 L173 T190 E193 L194 T197	P139-L143 WeakPolarHBondContact O-CG 3.27Å; P139-L143 PolarHBondContact O-N 3.49Å; P139-L143 VanDerWaalsContact O-N 3.13Å; V140-L143 PolarHBondContact O-N 3.4Å; L143-E145 VanDerWaalsContact C-N 3.33Å; L143-E145 PolarHBondContact O-N 3.02Å; L143-V146 PolarHBondContact O-N 2.77Å; L143-Y147 VanDerWaalsContact O-CB 3.31Å; L143-Y147 WeakPolarHBondContact O-CB 3.5Å; L143-Y147 PolarHBondContact O-N 2.92Å; L143-L166 HydrophobicContact CD2-CD2 3.76Å; L143-L173 HydrophobicContact CD1-CD2 4.35Å; L143-T190 HydrophobicContact CD1-CG2 3.84Å; L143-E193 HydrophobicContact CB-CB 4.19Å; L143-E193 HydrophobicContact CB-CG 3.68Å; L143-E193 HydrophobicContact CD1-CB 4.26Å; L143-L194 HydrophobicContact CD1-CB 4.04Å; L143-L194 HydrophobicContact CD2-CD1 3.97Å; L143-T197 PolarHBondContact O-OG1 3.09Å
144	R	88.7	Confident	81.8	Confident	131 Å²	131	76.6 Å²	76.6	49%	0.494	37%	0.367	S	S	.	.	H	α-helix	trans	-63	-37.3	174.9	-76.1	179.6	-173	158.9	4.1	113.4	V140 A141 L142 Y147 R148 E193	V140-R144 WeakPolarHBondContact O-CG 3.46Å; V140-R144 PolarHBondContact O-N 3.41Å; A141-R144 PolarHBondContact O-N 3.31Å; L142-R144 VanDerWaalsContact C-N 3.3Å; L142-R144 PolarHBondContact O-N 3.36Å; R144-Y147 PolarHBondContact O-N 3.22Å; R144-R148 VanDerWaalsContact O-CB 3.31Å; R144-R148 WeakPolarHBondContact O-CB 3.19Å; R144-R148 PolarHBondContact O-N 3.32Å; R144-E193 VanDerWaalsContact CG-CD 3.42Å; R144-E193 HydrophobicContact CG-CG 3.84Å; R144-E193 WeakPolarHBondContact CG-OE2 3.21Å; R144-E193 IonicContact NE-OE2 3.8Å; R144-E193 PolarHBondContact NE-OE2 3.35Å; R144-E193 VanDerWaalsContact NE-OE2 3.14Å
145	E	87.3	Confident	82	Confident	70 Å²	70	68.7 Å²	68.7	33%	0.327	34%	0.343	S	S	.	.	H	α-helix	trans	-66.4	-44.9	176.3	-173.5	58.9	-153.9	0	0	110.8	I136 A141 L142 L143 R148 N149	I136-E145 HydrophobicContact CD1-CB 4.16Å; I136-E145 HydrophobicContact CD1-CG 4.19Å; A141-E145 PolarHBondContact O-N 3.44Å; A141-E145 VanDerWaalsContact O-N 3.08Å; L142-E145 WeakPolarHBondContact O-CB 3.39Å; L142-E145 PolarHBondContact O-N 2.95Å; L143-E145 VanDerWaalsContact C-N 3.33Å; L143-E145 PolarHBondContact O-N 3.02Å; E145-R148 PolarHBondContact O-N 3.3Å; E145-N149 PolarHBondContact O-N 2.98Å; E145-N149 VanDerWaalsContact O-N 3.09Å; E145-N149 PolarHBondContact O-ND2 3.35Å; E145-N149 VanDerWaalsContact O-ND2 3.09Å; E145-N149 PolarHBondContact OE1-ND2 3.14Å
146	V	86.8	Confident	82	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-63.9	-42.1	175	-179.7	0	0	0	0	111.2	L142 L143 N149 S150 Y162 I165 L166 T197 F201	L142-V146 PolarHBondContact O-N 2.91Å; L142-V146 VanDerWaalsContact O-N 3.12Å; L143-V146 PolarHBondContact O-N 2.77Å; V146-N149 PolarHBondContact O-N 3.45Å; V146-S150 WeakPolarHBondContact O-CB 3.5Å; V146-S150 PolarHBondContact O-N 2.77Å; V146-S150 VanDerWaalsContact O-N 3.09Å; V146-S150 PolarHBondContact O-OG 2.93Å; V146-Y162 HydrophobicContact CG1-CD1 4.07Å; V146-Y162 HydrophobicContact CG1-CG 4.38Å; V146-I165 HydrophobicContact CG2-CG2 4.31Å; V146-L166 HydrophobicContact CG1-CD1 4.42Å; V146-L166 HydrophobicContact CG1-CD2 4.21Å; V146-L166 HydrophobicContact CG1-CG 4.26Å; V146-T197 HydrophobicContact CB-CG2 3.99Å; V146-T197 HydrophobicContact CG1-CG2 3.62Å; V146-F201 HydrophobicContact CG1-CZ 4.49Å
147	Y	88.5	Confident	82	Confident	85 Å²	85	63.5 Å²	63.5	33%	0.333	31%	0.312	S	S	.	.	H	α-helix	trans	-57.6	-52.4	175	174.9	-94.2	0	0	0	110.8	L143 R144 N149 S150 V151 K196 N200	L143-Y147 VanDerWaalsContact O-CB 3.31Å; L143-Y147 WeakPolarHBondContact O-CB 3.5Å; L143-Y147 PolarHBondContact O-N 2.92Å; R144-Y147 PolarHBondContact O-N 3.22Å; Y147-N149 VanDerWaalsContact C-N 3.27Å; Y147-N149 PolarHBondContact O-N 2.92Å; Y147-S150 WeakPolarHBondContact CA-OG 3.42Å; Y147-S150 PolarHBondContact O-N 3.4Å; Y147-S150 PolarHBondContact O-OG 2.96Å; Y147-V151 HydrophobicContact CD1-CG2 4.42Å; Y147-V151 HydrophobicContact CE1-CG2 4.03Å; Y147-V151 HydrophobicContact CE2-CG2 4.44Å; Y147-V151 WeakPolarHBondContact O-CG2 3.08Å; Y147-V151 PolarHBondContact O-N 2.88Å; Y147-K196 HydrophobicContact CD2-CB 4.14Å; Y147-K196 HydrophobicContact CE2-CB 4.08Å; Y147-N200 VanDerWaalsContact CD2-ND2 3.29Å; Y147-N200 WeakPolarHBondContact CD2-ND2 3.47Å; Y147-N200 WeakPolarHBondContact CE2-ND2 3.47Å; Y147-N200 PolarHBondContact O-ND2 2.95Å
148	R	86.6	Confident	82.4	Confident	183 Å²	183	56.3 Å²	56.3	69%	0.691	28%	0.283	S	S	*	.	H	α-helix	trans	-60.4	-37.7	-177.7	-179.7	177.5	146.5	165	-5.1	112.4	R144 E145 S150	R144-R148 VanDerWaalsContact O-CB 3.31Å; R144-R148 WeakPolarHBondContact O-CB 3.19Å; R144-R148 PolarHBondContact O-N 3.32Å; E145-R148 PolarHBondContact O-N 3.3Å; R148-S150 VanDerWaalsContact C-N 3.31Å
149	N	83.7	Confident	82.7	Confident	50 Å²	50	51.2 Å²	51.2	27%	0.267	26%	0.259	S	S	.	.	H	α-helix	trans	-82.9	-4.6	179.5	-63	-34.9	0	0	0	113.9	E145 V146 Y147 Y162	E145-N149 PolarHBondContact O-N 2.98Å; E145-N149 VanDerWaalsContact O-N 3.09Å; E145-N149 PolarHBondContact O-ND2 3.35Å; E145-N149 VanDerWaalsContact O-ND2 3.09Å; E145-N149 PolarHBondContact OE1-ND2 3.14Å; V146-N149 PolarHBondContact O-N 3.45Å; Y147-N149 VanDerWaalsContact C-N 3.27Å; Y147-N149 PolarHBondContact O-N 2.92Å; N149-Y162 HydrophobicContact CB-CE1 4.08Å; N149-Y162 HydrophobicContact CB-CE2 4.46Å; N149-Y162 VanDerWaalsContact CB-OH 3.32Å; N149-Y162 WeakPolarHBondContact CB-OH 3.37Å
150	S	83	Confident	83.1	Confident	5 Å²	5	51 Å²	51	4%	0.035	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	3.4	177.5	54.8	0	0	0	0	114.6	V146 Y147 R148 N200	V146-S150 WeakPolarHBondContact O-CB 3.5Å; V146-S150 PolarHBondContact O-N 2.77Å; V146-S150 VanDerWaalsContact O-N 3.09Å; V146-S150 PolarHBondContact O-OG 2.93Å; Y147-S150 WeakPolarHBondContact CA-OG 3.42Å; Y147-S150 PolarHBondContact O-N 3.4Å; Y147-S150 PolarHBondContact O-OG 2.96Å; R148-S150 VanDerWaalsContact C-N 3.31Å; S150-N200 PolarHBondContact OG-ND2 3.46Å
151	V	79.1	Confident	83.2	Confident	90 Å²	90	50.9 Å²	50.9	55%	0.545	26%	0.257	S	S	.	.	S	Bend	trans	-85.4	-21.7	179.3	170.3	0	0	0	0	112.9	Y147	Y147-V151 HydrophobicContact CD1-CG2 4.42Å; Y147-V151 HydrophobicContact CE1-CG2 4.03Å; Y147-V151 HydrophobicContact CE2-CG2 4.44Å; Y147-V151 WeakPolarHBondContact O-CG2 3.08Å; Y147-V151 PolarHBondContact O-N 2.88Å
152	T	66.6	Low	83.3	Confident	101 Å²	101	50.7 Å²	50.7	62%	0.62	25%	0.249	S	C	*	.	S	Bend	trans	-101.5	156.9	-176.8	54.2	0	0	0	0	112.4	L154	T152-L154 PolarHBondContact O-N 2.82Å
153	D	68	Low	83.5	Confident	173 Å²	173	50.2 Å²	50.2	93%	0.925	25%	0.247	S	C	*	.			trans	-29.3	91.4	-179.3	-69.2	-34.1	0	0	0	114.8
154	L	79.9	Confident	83.5	Confident	19 Å²	19	52.6 Å²	52.6	10%	0.099	26%	0.257	C	S	.	.			trans	-74.5	131.9	-177.6	-74.9	169.3	0	0	0	110.3	T152 D158 I159 Y162 F201 V209	T152-L154 PolarHBondContact O-N 2.82Å; L154-D158 HydrophobicContact CD2-CB 3.72Å; L154-I159 HydrophobicContact CB-CG1 4.16Å; L154-I159 HydrophobicContact CD1-CG1 4.19Å; L154-Y162 HydrophobicContact CD2-CD2 4.23Å; L154-Y162 HydrophobicContact CD2-CE2 4.21Å; L154-F201 HydrophobicContact CD1-CD1 4.31Å; L154-F201 HydrophobicContact CD1-CE1 4.2Å; L154-V209 VanDerWaalsContact O-CG1 3.28Å; L154-V209 WeakPolarHBondContact O-CG1 3.26Å; L154-V209 VanDerWaalsContact O-CG2 3.29Å; L154-V209 WeakPolarHBondContact O-CG2 3.38Å
155	S	82.6	Confident	83.4	Confident	34 Å²	34	46.4 Å²	46.4	24%	0.238	23%	0.234	C	C	.	.			trans	-81.2	160.3	163.5	76.9	0	0	0	0	110.8	T157 D158 I159	S155-T157 PolarHBondContact O-N 3.2Å; S155-D158 VanDerWaalsContact CB-OD2 3.24Å; S155-D158 WeakPolarHBondContact CB-OD2 3.39Å; S155-D158 PolarHBondContact N-OD2 2.94Å; S155-D158 WeakPolarHBondContact O-CB 3.41Å; S155-D158 PolarHBondContact O-N 3.45Å; S155-D158 PolarHBondContact OG-N 3.42Å; S155-D158 PolarHBondContact OG-OD2 2.95Å; S155-I159 PolarHBondContact O-N 3.05Å; S155-I159 VanDerWaalsContact O-N 3.16Å
156	P	82.3	Confident	83.4	Confident	22 Å²	22	43.4 Å²	43.4	14%	0.143	22%	0.22	C	C	.	.	H	α-helix	trans	-55.6	-35.3	173.7	-26.3	36.1	0	0	0	113	I159 I160 V209 K212 L213	P156-I159 PolarHBondContact O-N 2.59Å; P156-I160 WeakPolarHBondContact O-CG1 3.43Å; P156-I160 PolarHBondContact O-N 2.66Å; P156-V209 HydrophobicContact CB-CG1 4.45Å; P156-V209 HydrophobicContact CG-CG1 3.97Å; P156-K212 HydrophobicContact CG-CB 3.75Å; P156-K212 HydrophobicContact CG-CD 4Å; P156-L213 HydrophobicContact CB-CD2 3.64Å; P156-L213 HydrophobicContact CB-CG 4Å
157	T	79.9	Confident	83.4	Confident	12 Å²	12	44.2 Å²	44.2	7%	0.074	23%	0.227	C	C	.	.	H	α-helix	trans	-67.5	-36.5	176.4	-51.8	0	0	0	0	112	C115 I122 S155 I160 T161	C115-T157 HydrophobicContact CB-CG2 4.32Å; I122-T157 HydrophobicContact CG1-CG2 4.35Å; S155-T157 PolarHBondContact O-N 3.2Å; T157-I160 PolarHBondContact O-N 3.34Å; T157-T161 VanDerWaalsContact O-CB 3.32Å; T157-T161 WeakPolarHBondContact O-CB 3.47Å; T157-T161 PolarHBondContact O-N 3.4Å; T157-T161 PolarHBondContact O-OG1 3.06Å
158	D	83.3	Confident	83.2	Confident	47 Å²	47	44.8 Å²	44.8	25%	0.251	23%	0.233	S	C	.	.	H	α-helix	trans	-67.4	-41.9	177.5	-61.7	-44.4	0	0	0	111.3	L154 S155 I160 T161 Y162	L154-D158 HydrophobicContact CD2-CB 3.72Å; S155-D158 VanDerWaalsContact CB-OD2 3.24Å; S155-D158 WeakPolarHBondContact CB-OD2 3.39Å; S155-D158 PolarHBondContact N-OD2 2.94Å; S155-D158 WeakPolarHBondContact O-CB 3.41Å; S155-D158 PolarHBondContact O-N 3.45Å; S155-D158 PolarHBondContact OG-N 3.42Å; S155-D158 PolarHBondContact OG-OD2 2.95Å; D158-I160 VanDerWaalsContact C-N 3.35Å; D158-I160 PolarHBondContact O-N 3.1Å; D158-T161 PolarHBondContact O-N 2.87Å; D158-Y162 HydrophobicContact CB-CD2 4.25Å; D158-Y162 HydrophobicContact CB-CE2 4.07Å; D158-Y162 WeakPolarHBondContact O-CD2 3.35Å; D158-Y162 PolarHBondContact O-N 3.03Å
159	I	87	Confident	82.9	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-56.1	-51.1	174.8	-69.7	-175	0	0	0	110.3	L154 S155 P156 T161 I163 F201 V209 W210	L154-I159 HydrophobicContact CB-CG1 4.16Å; L154-I159 HydrophobicContact CD1-CG1 4.19Å; S155-I159 PolarHBondContact O-N 3.05Å; S155-I159 VanDerWaalsContact O-N 3.16Å; P156-I159 PolarHBondContact O-N 2.59Å; I159-T161 VanDerWaalsContact C-N 3.32Å; I159-T161 PolarHBondContact O-N 3.21Å; I159-I163 HydrophobicContact CG2-CD1 3.66Å; I159-I163 WeakPolarHBondContact O-CB 3.37Å; I159-I163 WeakPolarHBondContact O-CD1 3.34Å; I159-I163 WeakPolarHBondContact O-CG1 3.31Å; I159-I163 PolarHBondContact O-N 3.3Å; I159-I163 VanDerWaalsContact O-N 3.08Å; I159-F201 HydrophobicContact CG1-CD1 4.46Å; I159-V209 HydrophobicContact CD1-CB 3.77Å; I159-V209 HydrophobicContact CD1-CG1 3.45Å; I159-V209 VanDerWaalsContact CD1-CG1 3.45Å; I159-V209 HydrophobicContact CG1-CG1 4.2Å; I159-W210 HydrophobicContact CD1-CD2 4.32Å; I159-W210 HydrophobicContact CD1-CG 4.48Å; I159-W210 HydrophobicContact CG2-CD2 4.39Å; I159-W210 HydrophobicContact CG2-CE3 4.38Å; I159-W210 HydrophobicContact CG2-CH2 3.38Å; I159-W210 HydrophobicContact CG2-CZ2 3.36Å; I159-W210 HydrophobicContact CG2-CZ3 3.9Å
160	I	87.5	Confident	82.4	Confident	3 Å²	3	34.7 Å²	34.7	2%	0.015	19%	0.194	C	C	.	.	H	α-helix	trans	-58.4	-47.4	178.1	-67.4	171.4	0	0	0	110.5	L117 I122 P156 T157 D158 I163 E164 L213 H221	L117-I160 HydrophobicContact CD2-CD1 4.02Å; I122-I160 HydrophobicContact CD1-CD1 4.2Å; I122-I160 HydrophobicContact CG2-CG2 3.69Å; P156-I160 WeakPolarHBondContact O-CG1 3.43Å; P156-I160 PolarHBondContact O-N 2.66Å; T157-I160 PolarHBondContact O-N 3.34Å; D158-I160 VanDerWaalsContact C-N 3.35Å; D158-I160 PolarHBondContact O-N 3.1Å; I160-I163 PolarHBondContact O-N 3.4Å; I160-E164 PolarHBondContact O-N 3.08Å; I160-L213 HydrophobicContact CD1-CD2 4.06Å; I160-H221 VanDerWaalsContact CG2-NE2 3.28Å; I160-H221 WeakPolarHBondContact CG2-NE2 3.38Å
161	T	86.4	Confident	81.7	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.006	22%	0.218	C	C	.	.	H	α-helix	trans	-61.6	-49	-176.1	-59.3	0	0	0	0	111.8	N125 I126 T129 T157 D158 I159 E164 I165	N125-T161 PolarHBondContact ND2-OG1 3.39Å; I126-T161 HydrophobicContact CG1-CG2 4.14Å; T129-T161 HydrophobicContact CG2-CG2 4.25Å; T157-T161 VanDerWaalsContact O-CB 3.32Å; T157-T161 WeakPolarHBondContact O-CB 3.47Å; T157-T161 PolarHBondContact O-N 3.4Å; T157-T161 PolarHBondContact O-OG1 3.06Å; D158-T161 PolarHBondContact O-N 2.87Å; I159-T161 VanDerWaalsContact C-N 3.32Å; I159-T161 PolarHBondContact O-N 3.21Å; T161-E164 WeakPolarHBondContact O-CB 3.47Å; T161-E164 PolarHBondContact O-N 2.9Å; T161-I165 HydrophobicContact CG2-CD1 3.78Å; T161-I165 WeakPolarHBondContact O-CD1 3.45Å; T161-I165 VanDerWaalsContact O-CG1 3.27Å; T161-I165 WeakPolarHBondContact O-CG1 3.49Å; T161-I165 PolarHBondContact O-N 3.09Å
162	Y	88.6	Confident	81.2	Confident	29 Å²	29	39.4 Å²	39.4	11%	0.114	22%	0.221	C	C	.	.	H	α-helix	trans	-71	-32.9	-179.1	-68.9	-59.2	0	0	0	113.1	T129 V146 N149 L154 D158 E164 I165 L166 F201	T129-Y162 HydrophobicContact CG2-CE1 4.44Å; V146-Y162 HydrophobicContact CG1-CD1 4.07Å; V146-Y162 HydrophobicContact CG1-CG 4.38Å; N149-Y162 HydrophobicContact CB-CE1 4.08Å; N149-Y162 HydrophobicContact CB-CE2 4.46Å; N149-Y162 VanDerWaalsContact CB-OH 3.32Å; N149-Y162 WeakPolarHBondContact CB-OH 3.37Å; L154-Y162 HydrophobicContact CD2-CD2 4.23Å; L154-Y162 HydrophobicContact CD2-CE2 4.21Å; D158-Y162 HydrophobicContact CB-CD2 4.25Å; D158-Y162 HydrophobicContact CB-CE2 4.07Å; D158-Y162 WeakPolarHBondContact O-CD2 3.35Å; D158-Y162 PolarHBondContact O-N 3.03Å; Y162-E164 VanDerWaalsContact C-N 3.32Å; Y162-I165 HydrophobicContact CD1-CD1 4.02Å; Y162-I165 HydrophobicContact CE1-CD1 4.45Å; Y162-I165 PolarHBondContact O-N 2.88Å; Y162-L166 WeakPolarHBondContact O-CB 3.39Å; Y162-L166 VanDerWaalsContact O-CG 3.29Å; Y162-L166 WeakPolarHBondContact O-CG 3.34Å; Y162-L166 PolarHBondContact O-N 3.36Å; Y162-F201 HydrophobicContact CG-CZ 4.31Å
163	I	90.5	Very high	81.2	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62.8	-41.8	172.1	-69.2	169.6	0	0	0	110.4	I159 I160 L166 A167 W210 H221 K224 L225	I159-I163 HydrophobicContact CG2-CD1 3.66Å; I159-I163 WeakPolarHBondContact O-CB 3.37Å; I159-I163 WeakPolarHBondContact O-CD1 3.34Å; I159-I163 WeakPolarHBondContact O-CG1 3.31Å; I159-I163 PolarHBondContact O-N 3.3Å; I159-I163 VanDerWaalsContact O-N 3.08Å; I160-I163 PolarHBondContact O-N 3.4Å; I163-L166 PolarHBondContact O-N 3.28Å; I163-A167 WeakPolarHBondContact O-CB 3.2Å; I163-A167 PolarHBondContact O-N 3.19Å; I163-W210 HydrophobicContact CD1-CH2 3.53Å; I163-W210 HydrophobicContact CD1-CZ2 3.94Å; I163-H221 HydrophobicContact CD1-CB 4.29Å; I163-K224 HydrophobicContact CG2-CB 4.3Å; I163-K224 HydrophobicContact CG2-CG 4.24Å; I163-L225 HydrophobicContact CD1-CB 4.19Å; I163-L225 HydrophobicContact CD1-CD2 4.47Å; I163-L225 HydrophobicContact CG1-CB 4.32Å; I163-L225 HydrophobicContact CG1-CD1 4.29Å; I163-L225 HydrophobicContact CG2-CB 4.2Å
164	E	88.1	Confident	80.8	Confident	49 Å²	49	28.7 Å²	28.7	23%	0.229	17%	0.172	C	C	.	.	H	α-helix	trans	-62	-46	176.7	-161.5	66.8	-152.1	0	0	111.7	I126 I160 T161 Y162 L166 A167 E168 K224	I126-E164 HydrophobicContact CD1-CB 4.12Å; I126-E164 HydrophobicContact CD1-CG 4.07Å; I126-E164 HydrophobicContact CG1-CB 4.34Å; I126-E164 HydrophobicContact CG2-CB 4.31Å; I126-E164 HydrophobicContact CG2-CG 3.94Å; I160-E164 PolarHBondContact O-N 3.08Å; T161-E164 WeakPolarHBondContact O-CB 3.47Å; T161-E164 PolarHBondContact O-N 2.9Å; Y162-E164 VanDerWaalsContact C-N 3.32Å; E164-L166 VanDerWaalsContact C-N 3.31Å; E164-L166 PolarHBondContact O-N 3.44Å; E164-A167 WeakPolarHBondContact O-CB 3.4Å; E164-A167 PolarHBondContact O-N 2.9Å; E164-A167 VanDerWaalsContact O-N 3.09Å; E164-E168 PolarHBondContact O-N 2.96Å; E164-K224 IonicContact OE1-NZ 3.68Å; E164-K224 PolarHBondContact OE1-NZ 2.83Å; E164-K224 VanDerWaalsContact OE2-CE 3.25Å; E164-K224 WeakPolarHBondContact OE2-CE 3.38Å; E164-K224 IonicContact OE2-NZ 2.82Å; E164-K224 PolarHBondContact OE2-NZ 3.08Å
165	I	86.1	Confident	80	Confident	2 Å²	2	29.7 Å²	29.7	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-60.7	-42.1	178.1	-68.3	158.2	0	0	0	110.8	T129 I133 V146 T161 Y162 A167 S169	T129-I165 HydrophobicContact CG2-CD1 3.44Å; T129-I165 VanDerWaalsContact CG2-CD1 3.44Å; I133-I165 HydrophobicContact CD1-CD1 3.96Å; I133-I165 HydrophobicContact CD1-CG2 4.03Å; I133-I165 HydrophobicContact CG2-CG2 4.28Å; V146-I165 HydrophobicContact CG2-CG2 4.31Å; T161-I165 HydrophobicContact CG2-CD1 3.78Å; T161-I165 WeakPolarHBondContact O-CD1 3.45Å; T161-I165 VanDerWaalsContact O-CG1 3.27Å; T161-I165 WeakPolarHBondContact O-CG1 3.49Å; T161-I165 PolarHBondContact O-N 3.09Å; Y162-I165 HydrophobicContact CD1-CD1 4.02Å; Y162-I165 HydrophobicContact CE1-CD1 4.45Å; Y162-I165 PolarHBondContact O-N 2.88Å; I165-A167 VanDerWaalsContact C-N 3.34Å; I165-S169 VanDerWaalsContact O-CB 3.22Å; I165-S169 WeakPolarHBondContact O-CB 3.35Å; I165-S169 PolarHBondContact O-N 2.88Å; I165-S169 PolarHBondContact O-OG 3.41Å
166	L	87.7	Confident	78.7	Confident	6 Å²	6	37.6 Å²	37.6	3%	0.031	20%	0.204	C	C	.	.	H	α-helix	trans	-63.3	-40.3	174.7	-73.4	172.6	0	0	0	111.6	L143 V146 Y162 I163 E164 S169 S170 T197 F201 L225 T228	L143-L166 HydrophobicContact CD2-CD2 3.76Å; V146-L166 HydrophobicContact CG1-CD1 4.42Å; V146-L166 HydrophobicContact CG1-CD2 4.21Å; V146-L166 HydrophobicContact CG1-CG 4.26Å; Y162-L166 WeakPolarHBondContact O-CB 3.39Å; Y162-L166 VanDerWaalsContact O-CG 3.29Å; Y162-L166 WeakPolarHBondContact O-CG 3.34Å; Y162-L166 PolarHBondContact O-N 3.36Å; I163-L166 PolarHBondContact O-N 3.28Å; E164-L166 VanDerWaalsContact C-N 3.31Å; E164-L166 PolarHBondContact O-N 3.44Å; L166-S169 WeakPolarHBondContact CA-OG 3.38Å; L166-S169 PolarHBondContact O-OG 3.41Å; L166-S170 PolarHBondContact O-N 3.09Å; L166-T197 HydrophobicContact CD1-CG2 4.36Å; L166-T197 HydrophobicContact CD2-CG2 4.26Å; L166-F201 HydrophobicContact CD1-CE2 3.99Å; L166-L225 HydrophobicContact CD1-CD1 4.47Å; L166-T228 HydrophobicContact CB-CG2 4.17Å; L166-T228 WeakPolarHBondContact O-CG2 3.15Å
167	A	87.1	Confident	77.2	Confident	18 Å²	18	43.7 Å²	43.7	15%	0.149	24%	0.236	C	C	.	.	H	α-helix	trans	-65.1	-46.7	179.7	0	0	0	0	0	111.7	I163 E164 I165 S170 K224 T228	I163-A167 WeakPolarHBondContact O-CB 3.2Å; I163-A167 PolarHBondContact O-N 3.19Å; E164-A167 WeakPolarHBondContact O-CB 3.4Å; E164-A167 PolarHBondContact O-N 2.9Å; E164-A167 VanDerWaalsContact O-N 3.09Å; I165-A167 VanDerWaalsContact C-N 3.34Å; A167-S170 VanDerWaalsContact O-CB 3.3Å; A167-S170 WeakPolarHBondContact O-CB 3.42Å; A167-S170 PolarHBondContact O-N 3.46Å; A167-S170 PolarHBondContact O-OG 2.98Å; A167-K224 HydrophobicContact CB-CG 4.48Å; A167-T228 HydrophobicContact CB-CG2 4.28Å; A167-T228 WeakPolarHBondContact CB-OG1 3.3Å
168	E	83.1	Confident	76	Confident	96 Å²	96	47.8 Å²	47.8	45%	0.449	26%	0.257	S	S	.	.	H	α-helix	trans	-67	-42.5	179.5	-168.3	173.1	171.3	0	0	111.6	L130 E164 S170 S171	L130-E168 VanDerWaalsContact CD1-OE2 3.29Å; L130-E168 WeakPolarHBondContact CD1-OE2 3.25Å; L130-E168 WeakPolarHBondContact CD2-OE1 3.32Å; L130-E168 VanDerWaalsContact CD2-OE2 3.25Å; L130-E168 WeakPolarHBondContact CD2-OE2 3.47Å; E164-E168 PolarHBondContact O-N 2.96Å; E168-S170 VanDerWaalsContact C-N 3.27Å; E168-S170 PolarHBondContact O-N 3.31Å; E168-S171 PolarHBondContact O-OG 3.39Å
169	S	79.9	Confident	74.6	Confident	8 Å²	8	50.3 Å²	50.3	6%	0.056	28%	0.275	C	S	.	.	H	α-helix	trans	-72.8	-15.4	178.4	62.1	0	0	0	0	114.5	I165 L166 S171 L172 L173	I165-S169 VanDerWaalsContact O-CB 3.22Å; I165-S169 WeakPolarHBondContact O-CB 3.35Å; I165-S169 PolarHBondContact O-N 2.88Å; I165-S169 PolarHBondContact O-OG 3.41Å; L166-S169 WeakPolarHBondContact CA-OG 3.38Å; L166-S169 PolarHBondContact O-OG 3.41Å; S169-S171 PolarHBondContact O-N 3.27Å; S169-L172 WeakPolarHBondContact O-CA 3.34Å; S169-L172 WeakPolarHBondContact O-CB 3.45Å; S169-L172 PolarHBondContact O-N 2.89Å; S169-L173 PolarHBondContact O-N 2.79Å
170	S	73.8	Confident	73.3	Confident	13 Å²	13	54.7 Å²	54.7	9%	0.091	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-23.7	176.1	75.5	0	0	0	0	113.7	L166 A167 E168 R235	L166-S170 PolarHBondContact O-N 3.09Å; A167-S170 VanDerWaalsContact O-CB 3.3Å; A167-S170 WeakPolarHBondContact O-CB 3.42Å; A167-S170 PolarHBondContact O-N 3.46Å; A167-S170 PolarHBondContact O-OG 2.98Å; E168-S170 VanDerWaalsContact C-N 3.27Å; E168-S170 PolarHBondContact O-N 3.31Å; S170-R235 VanDerWaalsContact C-NH1 3.26Å; S170-R235 PolarHBondContact O-NH1 2.84Å; S170-R235 PolarHBondContact OG-NH1 3.16Å
171	S	69	Low	71.9	Confident	77 Å²	77	58.9 Å²	58.9	54%	0.538	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-28.3	174.9	64.7	0	0	0	0	113.2	E168 S169	E168-S171 PolarHBondContact O-OG 3.39Å; S169-S171 PolarHBondContact O-N 3.27Å
172	L	67.8	Low	70.7	Confident	117 Å²	117	62.2 Å²	62.2	61%	0.613	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-12.5	-176.4	-60.5	174.6	0	0	0	113.3	S169 G174	S169-L172 WeakPolarHBondContact O-CA 3.34Å; S169-L172 WeakPolarHBondContact O-CB 3.45Å; S169-L172 PolarHBondContact O-N 2.89Å; L172-G174 PolarHBondContact O-N 3.48Å; L172-G174 VanDerWaalsContact O-N 3.13Å
173	L	66	Low	69.6	Low	3 Å²	3	62.5 Å²	62.5	2%	0.016	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-3.8	-177.3	-59.8	177	0	0	0	113.9	P139 L143 S169 A232 L236	P139-L173 HydrophobicContact CB-CD2 3.7Å; L143-L173 HydrophobicContact CD1-CD2 4.35Å; S169-L173 PolarHBondContact O-N 2.79Å; L173-A232 HydrophobicContact CD1-CB 3.67Å; L173-L236 HydrophobicContact CB-CD2 4.25Å; L173-L236 HydrophobicContact CB-CG 4.32Å; L173-L236 WeakPolarHBondContact O-CD2 3.33Å
174	G	60.8	Low	68.6	Low	47 Å²	47	63.7 Å²	63.7	49%	0.485	36%	0.355	S	S	.	.			trans	-89.8	125	177.9	0	0	0	0	0	113.7	L172	L172-G174 PolarHBondContact O-N 3.48Å; L172-G174 VanDerWaalsContact O-N 3.13Å
175	Y	62.6	Low	67.9	Low	39 Å²	39	65.5 Å²	65.5	15%	0.153	37%	0.37	C	S	.	.			trans	-86.9	123.4	177.6	-64.9	-79.1	0	0	0	112.8	P139 L186 T190	P139-Y175 WeakPolarHBondContact CB-OH 3.29Å; P139-Y175 WeakPolarHBondContact CD-OH 3.34Å; P139-Y175 HydrophobicContact CG-CE1 3.75Å; P139-Y175 HydrophobicContact CG-CE2 4.26Å; P139-Y175 WeakPolarHBondContact CG-OH 3.48Å; Y175-L186 HydrophobicContact CD1-CD2 3.67Å; Y175-L186 HydrophobicContact CD2-CD2 4.12Å; Y175-L186 HydrophobicContact CD2-CG 4.38Å; Y175-L186 HydrophobicContact CE1-CD2 3.29Å; Y175-L186 HydrophobicContact CE1-CG 3.97Å; Y175-L186 HydrophobicContact CE2-CD2 3.78Å; Y175-L186 HydrophobicContact CE2-CG 3.69Å; Y175-L186 HydrophobicContact CG-CD2 4.07Å; Y175-L186 VanDerWaalsContact CZ-CG 3.44Å; Y175-L186 WeakPolarHBondContact OH-CG 3.27Å; Y175-T190 PolarHBondContact OH-OG1 2.76Å
176	K	54.8	Low	67.5	Low	200 Å²	200	67 Å²	67	87%	0.87	38%	0.378	S	S	*	.			trans	-96.2	-24.8	-176.2	-135.2	174	-176.4	179.7	0	115.9
177	N	52.1	Low	67.2	Low	150 Å²	150	66.8 Å²	66.8	80%	0.802	38%	0.376	S	S	*	.	S	Bend	trans	-145.4	85.9	-172.8	-77.9	-16.4	0	0	0	113.2
178	N	53	Low	67.1	Low	99 Å²	99	68.4 Å²	68.4	53%	0.529	38%	0.383	S	S	.	.			trans	-154	159.5	168.9	-90.2	-22	0	0	0	111.7
179	T	55.2	Low	67.3	Low	100 Å²	100	66.1 Å²	66.1	61%	0.613	38%	0.377	S	S	*	.			trans	-64.5	152.2	178.7	51.6	0	0	0	0	112.7	S181 V182 K183	T179-S181 PolarHBondContact O-N 3.09Å; T179-V182 PolarHBondContact O-N 3.31Å; T179-V182 WeakPolarHBondContact OG1-CG2 3.33Å; T179-K183 PolarHBondContact O-N 3.21Å; T179-K183 VanDerWaalsContact O-N 3.1Å
180	I	59.5	Low	67.7	Low	91 Å²	91	65.8 Å²	65.8	47%	0.467	38%	0.375	S	S	.	.	H	α-helix	trans	-56	-49.8	-165.2	-56.8	176.4	0	0	0	113.4	V182 K183	I180-V182 VanDerWaalsContact C-N 3.34Å; I180-V182 PolarHBondContact O-N 3.44Å; I180-K183 WeakPolarHBondContact O-CB 3.31Å; I180-K183 PolarHBondContact O-N 3.24Å
181	S	58.2	Low	68.5	Low	92 Å²	92	65.1 Å²	65.1	64%	0.643	37%	0.37	S	S	*	.	H	α-helix	trans	-71.4	-27.4	-177.2	-174	0	0	0	0	113.8	T179 T185	T179-S181 PolarHBondContact O-N 3.09Å; S181-T185 PolarHBondContact O-OG1 2.91Å
182	V	61.4	Low	69.6	Low	70 Å²	70	63.3 Å²	63.3	42%	0.424	36%	0.356	S	S	.	.	H	α-helix	trans	-78.1	-28.3	178.3	-179.8	0	0	0	0	110.1	T179 I180 T185 L186	T179-V182 PolarHBondContact O-N 3.31Å; T179-V182 WeakPolarHBondContact OG1-CG2 3.33Å; I180-V182 VanDerWaalsContact C-N 3.34Å; I180-V182 PolarHBondContact O-N 3.44Å; V182-T185 PolarHBondContact O-OG1 3.41Å; V182-T185 VanDerWaalsContact O-OG1 3.1Å; V182-L186 WeakPolarHBondContact O-CB 3.21Å; V182-L186 PolarHBondContact O-N 3.48Å
183	K	65.6	Low	70.7	Confident	35 Å²	35	58.6 Å²	58.6	15%	0.152	33%	0.331	C	S	.	.	H	α-helix	trans	-67	-45.2	178.4	-153.9	177.3	-172.3	-161.8	0	112	T179 I180 S187 S239	T179-K183 PolarHBondContact O-N 3.21Å; T179-K183 VanDerWaalsContact O-N 3.1Å; I180-K183 WeakPolarHBondContact O-CB 3.31Å; I180-K183 PolarHBondContact O-N 3.24Å; K183-S187 WeakPolarHBondContact O-CB 3.29Å; K183-S187 PolarHBondContact O-N 2.81Å; K183-S187 PolarHBondContact O-OG 2.92Å; K183-S239 WeakPolarHBondContact CD-O 3.49Å
184	D	68.1	Low	72	Confident	26 Å²	26	58.7 Å²	58.7	14%	0.139	33%	0.331	C	S	.	.	H	α-helix	trans	-67.2	-42.2	-179.3	-66.2	-14.2	0	0	0	111.9	S187 N188 F240	D184-S187 PolarHBondContact O-N 2.82Å; D184-N188 WeakPolarHBondContact O-CB 3.3Å; D184-N188 VanDerWaalsContact O-CG 3.23Å; D184-N188 PolarHBondContact O-N 3.47Å; D184-N188 PolarHBondContact O-OD1 3.42Å; D184-F240 HydrophobicContact CB-CD1 4.17Å; D184-F240 HydrophobicContact CB-CE1 4.28Å; D184-F240 WeakPolarHBondContact OD1-CD1 3.1Å
185	T	73.6	Confident	73.6	Confident	87 Å²	87	56.5 Å²	56.5	53%	0.534	31%	0.308	S	S	.	.	H	α-helix	trans	-67.7	-40.1	178	52.4	0	0	0	0	112.3	S181 V182 N188 S189	S181-T185 PolarHBondContact O-OG1 2.91Å; V182-T185 PolarHBondContact O-OG1 3.41Å; V182-T185 VanDerWaalsContact O-OG1 3.1Å; T185-N188 PolarHBondContact O-N 3.02Å; T185-S189 PolarHBondContact O-N 3.24Å
186	L	78.3	Confident	75	Confident	34 Å²	34	59 Å²	59	18%	0.178	32%	0.32	C	S	.	.	H	α-helix	trans	-67.8	-39.1	177.2	-172.9	62.1	0	0	0	111.9	V140 Y175 V182 S189 T190	V140-L186 HydrophobicContact CG2-CD1 4.2Å; Y175-L186 HydrophobicContact CD1-CD2 3.67Å; Y175-L186 HydrophobicContact CD2-CD2 4.12Å; Y175-L186 HydrophobicContact CD2-CG 4.38Å; Y175-L186 HydrophobicContact CE1-CD2 3.29Å; Y175-L186 HydrophobicContact CE1-CG 3.97Å; Y175-L186 HydrophobicContact CE2-CD2 3.78Å; Y175-L186 HydrophobicContact CE2-CG 3.69Å; Y175-L186 HydrophobicContact CG-CD2 4.07Å; Y175-L186 VanDerWaalsContact CZ-CG 3.44Å; Y175-L186 WeakPolarHBondContact OH-CG 3.27Å; V182-L186 WeakPolarHBondContact O-CB 3.21Å; V182-L186 PolarHBondContact O-N 3.48Å; L186-S189 PolarHBondContact O-N 3.32Å; L186-T190 WeakPolarHBondContact O-CB 3.47Å; L186-T190 PolarHBondContact O-N 3.1Å; L186-T190 PolarHBondContact O-OG1 3.28Å
187	S	80.4	Confident	76.8	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-66.5	-42.4	175.2	-68.4	0	0	0	0	112.3	K183 D184 T190 L191 S239	K183-S187 WeakPolarHBondContact O-CB 3.29Å; K183-S187 PolarHBondContact O-N 2.81Å; K183-S187 PolarHBondContact O-OG 2.92Å; D184-S187 PolarHBondContact O-N 2.82Å; S187-T190 PolarHBondContact O-N 2.9Å; S187-L191 WeakPolarHBondContact O-CB 3.36Å; S187-L191 VanDerWaalsContact O-CG 3.32Å; S187-L191 WeakPolarHBondContact O-CG 3.2Å; S187-L191 PolarHBondContact O-N 3.4Å; S187-S239 WeakPolarHBondContact CB-OG 3.3Å; S187-S239 PolarHBondContact OG-OG 3.22Å
188	N	86.1	Confident	78.8	Confident	53 Å²	53	42.3 Å²	42.3	28%	0.283	24%	0.24	S	C	.	.	H	α-helix	trans	-59.4	-47.5	173	-72.8	-5.7	0	0	0	111.4	D184 T185 T190 L191 T192 F240 F246	D184-N188 WeakPolarHBondContact O-CB 3.3Å; D184-N188 VanDerWaalsContact O-CG 3.23Å; D184-N188 PolarHBondContact O-N 3.47Å; D184-N188 PolarHBondContact O-OD1 3.42Å; T185-N188 PolarHBondContact O-N 3.02Å; N188-T190 VanDerWaalsContact C-N 3.31Å; N188-T190 PolarHBondContact O-N 2.57Å; N188-L191 PolarHBondContact O-N 3.02Å; N188-T192 PolarHBondContact O-N 2.94Å; N188-T192 PolarHBondContact O-OG1 3.03Å; N188-F240 VanDerWaalsContact OD1-CE1 3.29Å; N188-F240 WeakPolarHBondContact OD1-CE1 3.46Å; N188-F240 WeakPolarHBondContact OD1-CZ 3.37Å; N188-F246 HydrophobicContact CB-CD2 3.87Å; N188-F246 HydrophobicContact CB-CE2 3.63Å; N188-F246 HydrophobicContact CB-CZ 4.49Å; N188-F246 VanDerWaalsContact CG-CD2 3.44Å; N188-F246 WeakPolarHBondContact O-CZ 3.36Å; N188-F246 VanDerWaalsContact OD1-CD2 3.3Å; N188-F246 WeakPolarHBondContact OD1-CD2 3.39Å
189	S	87	Confident	80.7	Confident	48 Å²	48	38.1 Å²	38.1	34%	0.336	22%	0.218	S	C	.	.	H	α-helix	trans	-61.5	-39.3	176.8	-173.9	0	0	0	0	112.2	T185 L186 E193	T185-S189 PolarHBondContact O-N 3.24Å; L186-S189 PolarHBondContact O-N 3.32Å; S189-E193 PolarHBondContact O-N 2.91Å
190	T	88.7	Confident	82.4	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-68	-40.6	178.8	-51.2	0	0	0	0	110.9	P139 V140 L143 Y175 L186 S187 N188 E193 L194 L236	P139-T190 HydrophobicContact CB-CG2 4Å; V140-T190 HydrophobicContact CG2-CG2 4.49Å; V140-T190 VanDerWaalsContact CG2-OG1 3.3Å; V140-T190 WeakPolarHBondContact CG2-OG1 3.45Å; L143-T190 HydrophobicContact CD1-CG2 3.84Å; Y175-T190 PolarHBondContact OH-OG1 2.76Å; L186-T190 WeakPolarHBondContact O-CB 3.47Å; L186-T190 PolarHBondContact O-N 3.1Å; L186-T190 PolarHBondContact O-OG1 3.28Å; S187-T190 PolarHBondContact O-N 2.9Å; N188-T190 VanDerWaalsContact C-N 3.31Å; N188-T190 PolarHBondContact O-N 2.57Å; T190-E193 PolarHBondContact O-N 2.93Å; T190-L194 WeakPolarHBondContact O-CB 3.3Å; T190-L194 PolarHBondContact O-N 3.02Å; T190-L236 HydrophobicContact CG2-CD1 3.94Å; T190-L236 HydrophobicContact CG2-CD2 3.82Å
191	L	90.1	Very high	83.9	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-65.2	-42.1	175.5	-71.7	171.3	0	0	0	112	S187 N188 E193 L194 V195 T233 L236 F240 F246 L255	S187-L191 WeakPolarHBondContact O-CB 3.36Å; S187-L191 VanDerWaalsContact O-CG 3.32Å; S187-L191 WeakPolarHBondContact O-CG 3.2Å; S187-L191 PolarHBondContact O-N 3.4Å; N188-L191 PolarHBondContact O-N 3.02Å; L191-E193 PolarHBondContact O-N 3.29Å; L191-L194 PolarHBondContact O-N 2.91Å; L191-V195 WeakPolarHBondContact O-CG2 3.32Å; L191-V195 PolarHBondContact O-N 3.02Å; L191-T233 HydrophobicContact CD2-CG2 4.21Å; L191-L236 HydrophobicContact CD2-CB 3.8Å; L191-L236 HydrophobicContact CD2-CD1 3.57Å; L191-L236 HydrophobicContact CD2-CG 4.33Å; L191-L236 HydrophobicContact CG-CB 4.21Å; L191-L236 HydrophobicContact CG-CD1 4.12Å; L191-F240 HydrophobicContact CD1-CE2 4.23Å; L191-F240 HydrophobicContact CD1-CZ 4.2Å; L191-F246 HydrophobicContact CB-CD1 4.23Å; L191-F246 HydrophobicContact CB-CE1 3.47Å; L191-F246 VanDerWaalsContact CB-CE1 3.47Å; L191-F246 HydrophobicContact CB-CZ 3.84Å; L191-F246 HydrophobicContact CD1-CD1 3.75Å; L191-F246 HydrophobicContact CD1-CE1 3.88Å; L191-F246 HydrophobicContact CD1-CG 4.39Å; L191-F246 HydrophobicContact CG-CE1 4.32Å; L191-L255 HydrophobicContact CB-CD2 4.26Å; L191-L255 HydrophobicContact CD2-CD2 3.99Å
192	T	92.1	Very high	85.6	Confident	38 Å²	38	25.1 Å²	25.1	23%	0.233	14%	0.139	C	C	.	.	H	α-helix	trans	-60.5	-44.6	174.6	-61.9	0	0	0	0	111.6	N188 V195 K196 F246	N188-T192 PolarHBondContact O-N 2.94Å; N188-T192 PolarHBondContact O-OG1 3.03Å; T192-V195 PolarHBondContact O-N 2.99Å; T192-K196 HydrophobicContact CG2-CD 4.41Å; T192-K196 WeakPolarHBondContact O-CG 3.22Å; T192-K196 PolarHBondContact O-N 3.18Å; T192-K196 VanDerWaalsContact O-N 3.09Å; T192-F246 WeakPolarHBondContact OG1-CZ 3.24Å
193	E	91.8	Very high	86.9	Confident	19 Å²	19	24.2 Å²	24.2	9%	0.089	13%	0.13	C	C	.	.	H	α-helix	trans	-67.9	-37.2	179	-157.5	70	-113.3	0	0	111.9	L143 R144 S189 T190 L191 K196 T197	L143-E193 HydrophobicContact CB-CB 4.19Å; L143-E193 HydrophobicContact CB-CG 3.68Å; L143-E193 HydrophobicContact CD1-CB 4.26Å; R144-E193 VanDerWaalsContact CG-CD 3.42Å; R144-E193 HydrophobicContact CG-CG 3.84Å; R144-E193 WeakPolarHBondContact CG-OE2 3.21Å; R144-E193 IonicContact NE-OE2 3.8Å; R144-E193 PolarHBondContact NE-OE2 3.35Å; R144-E193 VanDerWaalsContact NE-OE2 3.14Å; S189-E193 PolarHBondContact O-N 2.91Å; T190-E193 PolarHBondContact O-N 2.93Å; L191-E193 PolarHBondContact O-N 3.29Å; E193-K196 PolarHBondContact O-N 3.36Å; E193-T197 WeakPolarHBondContact O-CB 3.07Å; E193-T197 PolarHBondContact O-N 2.9Å; E193-T197 PolarHBondContact O-OG1 2.92Å
194	L	92.1	Very high	87.8	Confident	4 Å²	4	29.1 Å²	29.1	2%	0.021	15%	0.147	C	C	.	.	H	α-helix	trans	-59.7	-48.6	174.4	178.6	66.5	0	0	0	110.9	L143 T190 L191 K196 T197 V198 A232 L236	L143-L194 HydrophobicContact CD1-CB 4.04Å; L143-L194 HydrophobicContact CD2-CD1 3.97Å; T190-L194 WeakPolarHBondContact O-CB 3.3Å; T190-L194 PolarHBondContact O-N 3.02Å; L191-L194 PolarHBondContact O-N 2.91Å; L194-K196 PolarHBondContact O-N 3.49Å; L194-T197 PolarHBondContact O-N 2.7Å; L194-V198 HydrophobicContact CD1-CG2 4.2Å; L194-V198 HydrophobicContact CG-CG2 4.45Å; L194-V198 WeakPolarHBondContact O-CG2 3.39Å; L194-V198 PolarHBondContact O-N 3.04Å; L194-A232 HydrophobicContact CD2-CB 3.86Å; L194-L236 HydrophobicContact CD2-CD1 4.36Å
195	V	93.9	Very high	88.5	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.006	18%	0.176	C	C	.	.	H	α-helix	trans	-63.5	-41.7	-179.5	173.2	0	0	0	0	111.2	L191 T192 V198 N199 T248 I253 L255	L191-V195 WeakPolarHBondContact O-CG2 3.32Å; L191-V195 PolarHBondContact O-N 3.02Å; T192-V195 PolarHBondContact O-N 2.99Å; V195-V198 PolarHBondContact O-N 2.93Å; V195-N199 WeakPolarHBondContact O-CB 3.44Å; V195-N199 PolarHBondContact O-N 2.9Å; V195-T248 HydrophobicContact CB-CG2 3.97Å; V195-T248 HydrophobicContact CG1-CG2 4.18Å; V195-T248 HydrophobicContact CG2-CG2 3.66Å; V195-I253 HydrophobicContact CG1-CG1 4.45Å; V195-I253 HydrophobicContact CG1-CG2 3.75Å; V195-L255 HydrophobicContact CG2-CB 3.6Å; V195-L255 HydrophobicContact CG2-CD2 3.61Å; V195-L255 HydrophobicContact CG2-CG 4.23Å
196	K	93	Very high	89.1	Confident	91 Å²	91	31 Å²	31	40%	0.396	16%	0.155	S	C	.	.	H	α-helix	trans	-61.5	-44.1	173.9	-73.1	177.6	179.6	-178.8	0	112.5	Y147 T192 E193 L194 N199	Y147-K196 HydrophobicContact CD2-CB 4.14Å; Y147-K196 HydrophobicContact CE2-CB 4.08Å; T192-K196 HydrophobicContact CG2-CD 4.41Å; T192-K196 WeakPolarHBondContact O-CG 3.22Å; T192-K196 PolarHBondContact O-N 3.18Å; T192-K196 VanDerWaalsContact O-N 3.09Å; E193-K196 PolarHBondContact O-N 3.36Å; L194-K196 PolarHBondContact O-N 3.49Å; K196-N199 WeakPolarHBondContact O-CB 3.41Å; K196-N199 PolarHBondContact O-N 2.95Å
197	T	92.5	Very high	89.5	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.4	-45.8	178.5	-54.2	0	0	0	0	111.2	L143 V146 L166 E193 L194 N199 N200 F201	L143-T197 PolarHBondContact O-OG1 3.09Å; V146-T197 HydrophobicContact CB-CG2 3.99Å; V146-T197 HydrophobicContact CG1-CG2 3.62Å; L166-T197 HydrophobicContact CD1-CG2 4.36Å; L166-T197 HydrophobicContact CD2-CG2 4.26Å; E193-T197 WeakPolarHBondContact O-CB 3.07Å; E193-T197 PolarHBondContact O-N 2.9Å; E193-T197 PolarHBondContact O-OG1 2.92Å; L194-T197 PolarHBondContact O-N 2.7Å; T197-N199 VanDerWaalsContact C-N 3.33Å; T197-N199 PolarHBondContact O-N 3.34Å; T197-N200 PolarHBondContact O-N 3.18Å; T197-F201 HydrophobicContact CG2-CE2 4.34Å; T197-F201 VanDerWaalsContact O-CD2 3.32Å; T197-F201 WeakPolarHBondContact O-CD2 3.41Å; T197-F201 WeakPolarHBondContact O-CE2 3.33Å
198	V	93.3	Very high	89.7	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-67.5	-36	179.5	175.7	0	0	0	0	111.4	L194 V195 N200 F201 V202 L225 V229 I253 Y302	L194-V198 HydrophobicContact CD1-CG2 4.2Å; L194-V198 HydrophobicContact CG-CG2 4.45Å; L194-V198 WeakPolarHBondContact O-CG2 3.39Å; L194-V198 PolarHBondContact O-N 3.04Å; V195-V198 PolarHBondContact O-N 2.93Å; V198-N200 PolarHBondContact O-N 3.46Å; V198-F201 PolarHBondContact O-N 2.97Å; V198-V202 HydrophobicContact CG1-CG1 4.33Å; V198-V202 PolarHBondContact O-N 3.48Å; V198-L225 HydrophobicContact CG1-CD1 4.31Å; V198-L225 HydrophobicContact CG1-CD2 4.49Å; V198-L225 HydrophobicContact CG2-CD1 4.43Å; V198-V229 HydrophobicContact CB-CG2 4.3Å; V198-V229 HydrophobicContact CG1-CG2 3.96Å; V198-V229 HydrophobicContact CG2-CG2 3.36Å; V198-I253 HydrophobicContact CB-CD1 4.05Å; V198-I253 HydrophobicContact CG1-CD1 3.54Å; V198-Y302 HydrophobicContact CG1-CE1 4.41Å
199	N	93.8	Very high	89.6	Confident	11 Å²	11	32.9 Å²	32.9	6%	0.059	17%	0.168	C	C	.	.	H	α-helix	trans	-53.7	-38.2	178.7	-168.4	69.1	0	0	0	111.9	V195 K196 T197 F201 V202 Q203 S250 T251 D252 I253	V195-N199 WeakPolarHBondContact O-CB 3.44Å; V195-N199 PolarHBondContact O-N 2.9Å; K196-N199 WeakPolarHBondContact O-CB 3.41Å; K196-N199 PolarHBondContact O-N 2.95Å; T197-N199 VanDerWaalsContact C-N 3.33Å; T197-N199 PolarHBondContact O-N 3.34Å; N199-F201 PolarHBondContact O-N 3.16Å; N199-V202 PolarHBondContact O-N 3.48Å; N199-Q203 PolarHBondContact ND2-NE2 3.08Å; N199-Q203 VanDerWaalsContact O-CG 3.25Å; N199-Q203 WeakPolarHBondContact O-CG 3.36Å; N199-Q203 PolarHBondContact O-N 2.84Å; N199-Q203 VanDerWaalsContact O-N 3.11Å; N199-S250 WeakPolarHBondContact OD1-CB 3.5Å; N199-T251 PolarHBondContact ND2-OG1 3.43Å; N199-T251 PolarHBondContact OD1-N 3.22Å; N199-T251 PolarHBondContact OD1-OG1 3.25Å; N199-T251 VanDerWaalsContact OD1-OG1 3.14Å; N199-D252 PolarHBondContact OD1-N 3.45Å; N199-I253 HydrophobicContact CB-CG2 3.63Å
200	N	91.3	Very high	89.7	Confident	11 Å²	11	30.6 Å²	30.6	6%	0.059	15%	0.152	C	C	.	.	H	α-helix	trans	-60.4	-25.3	177.6	-65.9	-7.2	0	0	0	113.3	Y147 S150 T197 V198 T206	Y147-N200 VanDerWaalsContact CD2-ND2 3.29Å; Y147-N200 WeakPolarHBondContact CD2-ND2 3.47Å; Y147-N200 WeakPolarHBondContact CE2-ND2 3.47Å; Y147-N200 PolarHBondContact O-ND2 2.95Å; S150-N200 PolarHBondContact OG-ND2 3.46Å; T197-N200 PolarHBondContact O-N 3.18Å; V198-N200 PolarHBondContact O-N 3.46Å; N200-T206 WeakPolarHBondContact O-CG2 3.49Å
201	F	91.7	Very high	89.4	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-94.7	-16.6	-180	-58.7	-75.2	0	0	0	114.2	V146 L154 I159 Y162 L166 T197 V198 N199 T206 W210 L225	V146-F201 HydrophobicContact CG1-CZ 4.49Å; L154-F201 HydrophobicContact CD1-CD1 4.31Å; L154-F201 HydrophobicContact CD1-CE1 4.2Å; I159-F201 HydrophobicContact CG1-CD1 4.46Å; Y162-F201 HydrophobicContact CG-CZ 4.31Å; L166-F201 HydrophobicContact CD1-CE2 3.99Å; T197-F201 HydrophobicContact CG2-CE2 4.34Å; T197-F201 VanDerWaalsContact O-CD2 3.32Å; T197-F201 WeakPolarHBondContact O-CD2 3.41Å; T197-F201 WeakPolarHBondContact O-CE2 3.33Å; V198-F201 PolarHBondContact O-N 2.97Å; N199-F201 PolarHBondContact O-N 3.16Å; F201-T206 PolarHBondContact O-OG1 2.69Å; F201-W210 PolarHBondContact O-NE1 2.94Å; F201-L225 HydrophobicContact CB-CD2 3.91Å
202	V	91.9	Very high	89	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-110.6	-3.4	-174.8	-59.6	0	0	0	0	113.4	V198 N199 L225 D252 I253 Y302 I305	V198-V202 HydrophobicContact CG1-CG1 4.33Å; V198-V202 PolarHBondContact O-N 3.48Å; N199-V202 PolarHBondContact O-N 3.48Å; V202-L225 HydrophobicContact CG1-CD2 3.98Å; V202-D252 HydrophobicContact CG2-CB 4.15Å; V202-I253 HydrophobicContact CG2-CB 4.22Å; V202-I253 HydrophobicContact CG2-CG2 4.38Å; V202-Y302 HydrophobicContact CG1-CD1 4.15Å; V202-Y302 HydrophobicContact CG1-CE1 4.32Å; V202-I305 HydrophobicContact CB-CG2 3.6Å; V202-I305 HydrophobicContact CG1-CG2 3.74Å
203	Q	90.2	Very high	88.5	Confident	51 Å²	51	39.1 Å²	39.1	24%	0.238	19%	0.19	C	C	.	.	S	Bend	trans	-63.4	146.3	174	-89.3	173.1	-13.9	0	0	112.2	N199 D205 T206 F207 T251 D252	N199-Q203 PolarHBondContact ND2-NE2 3.08Å; N199-Q203 VanDerWaalsContact O-CG 3.25Å; N199-Q203 WeakPolarHBondContact O-CG 3.36Å; N199-Q203 PolarHBondContact O-N 2.84Å; N199-Q203 VanDerWaalsContact O-N 3.11Å; Q203-D205 PolarHBondContact O-N 3.49Å; Q203-D205 VanDerWaalsContact O-N 3.17Å; Q203-T206 PolarHBondContact O-N 2.84Å; Q203-T206 VanDerWaalsContact O-N 3.09Å; Q203-T206 PolarHBondContact O-OG1 2.87Å; Q203-F207 VanDerWaalsContact O-CD1 3.32Å; Q203-F207 WeakPolarHBondContact O-CD1 3.34Å; Q203-T251 PolarHBondContact NE2-OG1 3.47Å; Q203-T251 VanDerWaalsContact NE2-OG1 3.15Å; Q203-D252 WeakPolarHBondContact CA-OD2 3.23Å
204	R	84.7	Confident	88	Confident	137 Å²	137	41 Å²	41	52%	0.517	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-53.4	-36.8	178.4	-96.2	-164.9	178.1	81.7	11.1	114.1	T206 F207 S304	R204-T206 PolarHBondContact O-N 2.84Å; R204-F207 VanDerWaalsContact O-CB 3.26Å; R204-F207 WeakPolarHBondContact O-CB 3.38Å; R204-F207 WeakPolarHBondContact O-CG 3.4Å; R204-F207 PolarHBondContact O-N 3.44Å; R204-S304 PolarHBondContact NH1-OG 2.96Å; R204-S304 VanDerWaalsContact NH1-OG 3.15Å
205	D	82.8	Confident	87.5	Confident	138 Å²	138	41.9 Å²	41.9	74%	0.738	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-65.1	-27.6	-176.2	-60.8	-23.8	0	0	0	112	Q203 F207	Q203-D205 PolarHBondContact O-N 3.49Å; Q203-D205 VanDerWaalsContact O-N 3.17Å; D205-F207 VanDerWaalsContact C-N 3.26Å; D205-F207 PolarHBondContact O-N 2.96Å
206	T	85.2	Confident	86.9	Confident	15 Å²	15	47 Å²	47	9%	0.092	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-76.8	-8.7	175.9	65.8	0	0	0	0	114.1	N200 F201 Q203 R204 V208 V209 W210	N200-T206 WeakPolarHBondContact O-CG2 3.49Å; F201-T206 PolarHBondContact O-OG1 2.69Å; Q203-T206 PolarHBondContact O-N 2.84Å; Q203-T206 VanDerWaalsContact O-N 3.09Å; Q203-T206 PolarHBondContact O-OG1 2.87Å; R204-T206 PolarHBondContact O-N 2.84Å; T206-V208 PolarHBondContact O-N 3.04Å; T206-V209 WeakPolarHBondContact O-CA 3.43Å; T206-V209 WeakPolarHBondContact O-CB 3.42Å; T206-V209 PolarHBondContact O-N 2.87Å; T206-W210 VanDerWaalsContact O-CD1 3.27Å; T206-W210 PolarHBondContact O-N 3.3Å; T206-W210 VanDerWaalsContact O-N 3.08Å
207	F	86.8	Confident	86.5	Confident	16 Å²	16	45.5 Å²	45.5	7%	0.07	23%	0.232	C	C	.	.	H	α-helix	trans	-65.6	-29.8	-176.6	-75.7	24.4	0	0	0	111.2	Q203 R204 D205 V209 W210 D211 S304 L308 F315	Q203-F207 VanDerWaalsContact O-CD1 3.32Å; Q203-F207 WeakPolarHBondContact O-CD1 3.34Å; R204-F207 VanDerWaalsContact O-CB 3.26Å; R204-F207 WeakPolarHBondContact O-CB 3.38Å; R204-F207 WeakPolarHBondContact O-CG 3.4Å; R204-F207 PolarHBondContact O-N 3.44Å; D205-F207 VanDerWaalsContact C-N 3.26Å; D205-F207 PolarHBondContact O-N 2.96Å; F207-V209 PolarHBondContact O-N 2.91Å; F207-W210 PolarHBondContact O-N 2.89Å; F207-D211 WeakPolarHBondContact O-CB 3.39Å; F207-D211 PolarHBondContact O-N 3.2Å; F207-S304 VanDerWaalsContact CE2-O 3.25Å; F207-S304 WeakPolarHBondContact CE2-O 3.4Å; F207-S304 WeakPolarHBondContact CZ-O 3.38Å; F207-L308 HydrophobicContact CB-CD2 4.38Å; F207-L308 HydrophobicContact CD1-CD1 3.78Å; F207-L308 HydrophobicContact CD1-CD2 4.27Å; F207-L308 HydrophobicContact CD1-CG 4.29Å; F207-L308 HydrophobicContact CD2-CD1 4.46Å; F207-L308 HydrophobicContact CD2-CD2 3.89Å; F207-L308 HydrophobicContact CD2-CG 4.1Å; F207-L308 HydrophobicContact CE1-CD1 3.44Å; F207-L308 VanDerWaalsContact CE1-CD1 3.44Å; F207-L308 HydrophobicContact CE1-CG 4.07Å; F207-L308 HydrophobicContact CE2-CD1 4.16Å; F207-L308 HydrophobicContact CE2-CD2 4.16Å; F207-L308 HydrophobicContact CE2-CG 3.84Å; F207-L308 HydrophobicContact CG-CD1 4.28Å; F207-L308 HydrophobicContact CG-CD2 3.94Å; F207-L308 HydrophobicContact CG-CG 4.31Å; F207-L308 HydrophobicContact CZ-CD1 3.63Å; F207-L308 HydrophobicContact CZ-CD2 4.46Å; F207-L308 HydrophobicContact CZ-CG 3.81Å; F207-F315 HydrophobicContact CD2-CE1 4.04Å
208	V	84	Confident	86.2	Confident	92 Å²	92	45.9 Å²	45.9	56%	0.558	23%	0.233	S	C	*	.	H	α-helix	trans	-61	-30.6	173.4	-176.5	0	0	0	0	111.6	T206	T206-V208 PolarHBondContact O-N 3.04Å
209	V	85.8	Confident	86	Confident	19 Å²	19	47.5 Å²	47.5	12%	0.115	24%	0.239	C	C	.	.	H	α-helix	trans	-81	-43.2	176.5	-171	0	0	0	0	110.4	L154 P156 I159 T206 F207 D211 K212	L154-V209 VanDerWaalsContact O-CG1 3.28Å; L154-V209 WeakPolarHBondContact O-CG1 3.26Å; L154-V209 VanDerWaalsContact O-CG2 3.29Å; L154-V209 WeakPolarHBondContact O-CG2 3.38Å; P156-V209 HydrophobicContact CB-CG1 4.45Å; P156-V209 HydrophobicContact CG-CG1 3.97Å; I159-V209 HydrophobicContact CD1-CB 3.77Å; I159-V209 HydrophobicContact CD1-CG1 3.45Å; I159-V209 VanDerWaalsContact CD1-CG1 3.45Å; I159-V209 HydrophobicContact CG1-CG1 4.2Å; T206-V209 WeakPolarHBondContact O-CA 3.43Å; T206-V209 WeakPolarHBondContact O-CB 3.42Å; T206-V209 PolarHBondContact O-N 2.87Å; F207-V209 PolarHBondContact O-N 2.91Å; V209-D211 VanDerWaalsContact C-N 3.25Å; V209-D211 PolarHBondContact O-N 3.2Å; V209-K212 WeakPolarHBondContact O-CB 3.31Å; V209-K212 PolarHBondContact O-N 3.18Å; V209-K212 VanDerWaalsContact O-N 3.16Å
210	W	87.1	Confident	85.8	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61.3	-31.6	175.5	-75.1	110.1	0	0	0	113.4	I159 I163 F201 T206 F207 K212 L213 R218 H221 L222 L308	I159-W210 HydrophobicContact CD1-CD2 4.32Å; I159-W210 HydrophobicContact CD1-CG 4.48Å; I159-W210 HydrophobicContact CG2-CD2 4.39Å; I159-W210 HydrophobicContact CG2-CE3 4.38Å; I159-W210 HydrophobicContact CG2-CH2 3.38Å; I159-W210 HydrophobicContact CG2-CZ2 3.36Å; I159-W210 HydrophobicContact CG2-CZ3 3.9Å; I163-W210 HydrophobicContact CD1-CH2 3.53Å; I163-W210 HydrophobicContact CD1-CZ2 3.94Å; F201-W210 PolarHBondContact O-NE1 2.94Å; T206-W210 VanDerWaalsContact O-CD1 3.27Å; T206-W210 PolarHBondContact O-N 3.3Å; T206-W210 VanDerWaalsContact O-N 3.08Å; F207-W210 PolarHBondContact O-N 2.89Å; W210-K212 VanDerWaalsContact C-N 3.26Å; W210-K212 PolarHBondContact O-N 2.79Å; W210-L213 HydrophobicContact CE3-CD1 3.68Å; W210-L213 HydrophobicContact CZ3-CD1 3.92Å; W210-L213 WeakPolarHBondContact O-CB 3.41Å; W210-L213 PolarHBondContact O-N 3.4Å; W210-R218 HydrophobicContact CE3-CG 3.96Å; W210-H221 HydrophobicContact CH2-CB 4.21Å; W210-H221 HydrophobicContact CZ3-CB 4.11Å; W210-L222 HydrophobicContact CH2-CB 4.46Å; W210-L222 HydrophobicContact CZ2-CD1 4.45Å; W210-L308 HydrophobicContact CB-CD1 4.39Å; W210-L308 HydrophobicContact CB-CD2 3.83Å; W210-L308 HydrophobicContact CG-CD1 4.07Å; W210-L308 HydrophobicContact CG-CD2 4.4Å
211	D	82.4	Confident	85.8	Confident	74 Å²	74	49.6 Å²	49.6	40%	0.396	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-22.2	177.9	-159.5	57.1	0	0	0	113	F207 V209 L213 R218	F207-D211 WeakPolarHBondContact O-CB 3.39Å; F207-D211 PolarHBondContact O-N 3.2Å; V209-D211 VanDerWaalsContact C-N 3.25Å; V209-D211 PolarHBondContact O-N 3.2Å; D211-L213 PolarHBondContact O-N 3.11Å; D211-R218 IonicContact OD1-NH1 3.89Å
212	K	82.5	Confident	85.8	Confident	137 Å²	137	49.7 Å²	49.7	60%	0.596	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-11.5	173.1	-62.2	175.4	-176.2	177.9	0	113	P156 V209 W210	P156-K212 HydrophobicContact CG-CB 3.75Å; P156-K212 HydrophobicContact CG-CD 4Å; V209-K212 WeakPolarHBondContact O-CB 3.31Å; V209-K212 PolarHBondContact O-N 3.18Å; V209-K212 VanDerWaalsContact O-N 3.16Å; W210-K212 VanDerWaalsContact C-N 3.26Å; W210-K212 PolarHBondContact O-N 2.79Å
213	L	81	Confident	85.9	Confident	6 Å²	6	49.7 Å²	49.7	3%	0.031	25%	0.252	C	S	.	.	S	Bend	trans	-92.7	140.4	176.5	-65.4	172.6	0	0	0	110.3	L117 P156 I160 W210 D211 H217 R218	L117-L213 HydrophobicContact CD1-CD2 4.25Å; L117-L213 HydrophobicContact CD2-CD2 3.34Å; L117-L213 HydrophobicContact CG-CD2 4.37Å; P156-L213 HydrophobicContact CB-CD2 3.64Å; P156-L213 HydrophobicContact CB-CG 4Å; I160-L213 HydrophobicContact CD1-CD2 4.06Å; W210-L213 HydrophobicContact CE3-CD1 3.68Å; W210-L213 HydrophobicContact CZ3-CD1 3.92Å; W210-L213 WeakPolarHBondContact O-CB 3.41Å; W210-L213 PolarHBondContact O-N 3.4Å; D211-L213 PolarHBondContact O-N 3.11Å; L213-H217 HydrophobicContact CB-CB 4.44Å; L213-R218 HydrophobicContact CB-CB 4.25Å
214	S	82	Confident	86.1	Confident	59 Å²	59	49.2 Å²	49.2	41%	0.413	25%	0.249	S	C	.	.			trans	-55.9	150.8	168.7	68.2	0	0	0	0	111.1	N216 H217 R218	S214-N216 PolarHBondContact O-N 3.36Å; S214-N216 VanDerWaalsContact O-N 3.14Å; S214-H217 PolarHBondContact O-N 3.32Å; S214-H217 PolarHBondContact OG-N 3.17Å; S214-H217 PolarHBondContact OG-ND1 3.14Å; S214-R218 WeakPolarHBondContact O-CB 3.27Å; S214-R218 PolarHBondContact O-N 3.39Å
215	V	81.4	Confident	86.5	Confident	22 Å²	22	42.7 Å²	42.7	13%	0.133	22%	0.224	C	C	.	.	H	α-helix	trans	-49.6	-43.7	-179.1	179.7	0	0	0	0	112.8	R218 R219 D313	V215-R218 PolarHBondContact O-N 3.22Å; V215-R219 HydrophobicContact CG1-CG 4.38Å; V215-R219 WeakPolarHBondContact O-CB 3.41Å; V215-R219 VanDerWaalsContact O-CG 3.31Å; V215-R219 WeakPolarHBondContact O-CG 3.15Å; V215-R219 PolarHBondContact O-N 2.99Å; V215-D313 WeakPolarHBondContact CG2-OD1 3.28Å
216	N	81.9	Confident	87.1	Confident	107 Å²	107	36.2 Å²	36.2	57%	0.572	19%	0.189	S	C	*	.	H	α-helix	trans	-63.7	-50.6	179.3	-69.9	-16.2	0	0	0	111.6	S214 R218 R219 T220	S214-N216 PolarHBondContact O-N 3.36Å; S214-N216 VanDerWaalsContact O-N 3.14Å; N216-R218 VanDerWaalsContact C-N 3.34Å; N216-R218 PolarHBondContact O-N 2.93Å; N216-R219 PolarHBondContact O-N 2.72Å; N216-T220 WeakPolarHBondContact O-CB 3.32Å; N216-T220 PolarHBondContact O-N 2.92Å; N216-T220 PolarHBondContact O-OG1 2.94Å
217	H	83.3	Confident	87.5	Confident	61 Å²	61	36.2 Å²	36.2	28%	0.282	19%	0.189	S	C	.	.	H	α-helix	trans	-61.3	-42.8	177.8	-73.8	91.1	0	0	0	112	L213 S214 T220 H221	L213-H217 HydrophobicContact CB-CB 4.44Å; S214-H217 PolarHBondContact O-N 3.32Å; S214-H217 PolarHBondContact OG-N 3.17Å; S214-H217 PolarHBondContact OG-ND1 3.14Å; H217-T220 PolarHBondContact O-N 2.87Å; H217-H221 PolarHBondContact O-N 2.92Å; H217-H221 VanDerWaalsContact O-N 3.08Å; H217-H221 PolarHBondContact O-ND1 2.97Å
218	R	87.7	Confident	87.7	Confident	8 Å²	8	35.9 Å²	35.9	3%	0.03	19%	0.188	C	C	.	.	H	α-helix	trans	-58	-51.9	176.1	-178.6	170.8	74.8	-156.9	-0.5	111.2	W210 D211 L213 S214 V215 N216 L222 L308	W210-R218 HydrophobicContact CE3-CG 3.96Å; D211-R218 IonicContact OD1-NH1 3.89Å; L213-R218 HydrophobicContact CB-CB 4.25Å; S214-R218 WeakPolarHBondContact O-CB 3.27Å; S214-R218 PolarHBondContact O-N 3.39Å; V215-R218 PolarHBondContact O-N 3.22Å; N216-R218 VanDerWaalsContact C-N 3.34Å; N216-R218 PolarHBondContact O-N 2.93Å; R218-L222 WeakPolarHBondContact O-CB 3.28Å; R218-L222 PolarHBondContact O-N 2.04Å; R218-L308 PolarHBondContact NE-O 3.19Å
219	R	88.4	Confident	88.2	Confident	34 Å²	34	31.6 Å²	31.6	13%	0.128	16%	0.162	C	C	.	.	H	α-helix	trans	-61.6	-46.1	179	-75.7	177.9	179.5	169.7	0	112.4	V215 N216 T223 S310 S311 W373	V215-R219 HydrophobicContact CG1-CG 4.38Å; V215-R219 WeakPolarHBondContact O-CB 3.41Å; V215-R219 VanDerWaalsContact O-CG 3.31Å; V215-R219 WeakPolarHBondContact O-CG 3.15Å; V215-R219 PolarHBondContact O-N 2.99Å; N216-R219 PolarHBondContact O-N 2.72Å; R219-T223 WeakPolarHBondContact O-CB 3.4Å; R219-T223 PolarHBondContact O-N 2.71Å; R219-T223 PolarHBondContact O-OG1 2.8Å; R219-S310 PolarHBondContact NH2-O 2.82Å; R219-S310 VanDerWaalsContact NH2-O 3.15Å; R219-S311 PolarHBondContact NH2-OG 3.37Å; R219-S311 VanDerWaalsContact NH2-OG 3.11Å; R219-W373 HydrophobicContact CB-CZ2 4.38Å; R219-W373 HydrophobicContact CG-CH2 4.08Å; R219-W373 HydrophobicContact CG-CZ2 4.38Å
220	T	89.7	Confident	88.5	Confident	40 Å²	40	32.4 Å²	32.4	25%	0.245	16%	0.164	C	C	.	.	H	α-helix	trans	-61.4	-48	-178.5	-60.3	0	0	0	0	111.6	N216 H217 T223 K224 M380	N216-T220 WeakPolarHBondContact O-CB 3.32Å; N216-T220 PolarHBondContact O-N 2.92Å; N216-T220 PolarHBondContact O-OG1 2.94Å; H217-T220 PolarHBondContact O-N 2.87Å; T220-T223 PolarHBondContact O-N 3.14Å; T220-K224 WeakPolarHBondContact O-CB 3.45Å; T220-K224 PolarHBondContact O-N 3.27Å; T220-M380 HydrophobicContact CG2-CB 4.02Å
221	H	91	Very high	88.7	Confident	26 Å²	26	38.4 Å²	38.4	12%	0.12	19%	0.187	C	C	.	.	H	α-helix	trans	-75.2	-34.2	-177	-68	77.7	0	0	0	112.4	I160 I163 W210 H217 K224 L225	I160-H221 VanDerWaalsContact CG2-NE2 3.28Å; I160-H221 WeakPolarHBondContact CG2-NE2 3.38Å; I163-H221 HydrophobicContact CD1-CB 4.29Å; W210-H221 HydrophobicContact CH2-CB 4.21Å; W210-H221 HydrophobicContact CZ3-CB 4.11Å; H217-H221 PolarHBondContact O-N 2.92Å; H217-H221 VanDerWaalsContact O-N 3.08Å; H217-H221 PolarHBondContact O-ND1 2.97Å; H221-K224 PolarHBondContact O-N 3.48Å; H221-L225 WeakPolarHBondContact O-CB 3.45Å; H221-L225 PolarHBondContact O-N 2.85Å
222	L	92.7	Very high	89	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-67.2	-41	173.3	-171.3	60.6	0	0	0	111.6	W210 R218 K224 L225 M226 L308 L309	W210-L222 HydrophobicContact CH2-CB 4.46Å; W210-L222 HydrophobicContact CZ2-CD1 4.45Å; R218-L222 WeakPolarHBondContact O-CB 3.28Å; R218-L222 PolarHBondContact O-N 2.04Å; L222-K224 VanDerWaalsContact C-N 3.34Å; L222-L225 HydrophobicContact CD1-CD2 4.45Å; L222-L225 PolarHBondContact O-N 2.77Å; L222-M226 HydrophobicContact CG-SD 4.43Å; L222-M226 WeakPolarHBondContact O-CG 3.27Å; L222-M226 PolarHBondContact O-N 3.42Å; L222-L308 HydrophobicContact CD2-CB 3.59Å; L222-L308 HydrophobicContact CD2-CD1 4.25Å; L222-L309 HydrophobicContact CD2-CD1 4.41Å; L222-L309 HydrophobicContact CD2-CD2 3.59Å; L222-L309 HydrophobicContact CD2-CG 3.67Å; L222-L309 HydrophobicContact CG-CD2 4.14Å
223	T	93.7	Very high	89.4	Confident	1 Å²	1	28.4 Å²	28.4	1%	0.006	14%	0.14	C	C	.	.	H	α-helix	trans	-61	-44.7	172.3	-58.5	0	0	0	0	110.7	R219 T220 L225 M226 H227 W373 Y375 M380	R219-T223 WeakPolarHBondContact O-CB 3.4Å; R219-T223 PolarHBondContact O-N 2.71Å; R219-T223 PolarHBondContact O-OG1 2.8Å; T220-T223 PolarHBondContact O-N 3.14Å; T223-L225 VanDerWaalsContact C-N 3.34Å; T223-L225 PolarHBondContact O-N 3.33Å; T223-M226 PolarHBondContact O-N 2.78Å; T223-H227 WeakPolarHBondContact O-CB 3.09Å; T223-H227 PolarHBondContact O-N 2.99Å; T223-W373 PolarHBondContact OG1-NE1 3.44Å; T223-Y375 HydrophobicContact CG2-CD1 4.07Å; T223-Y375 HydrophobicContact CG2-CD2 3.52Å; T223-Y375 HydrophobicContact CG2-CE2 4.1Å; T223-Y375 HydrophobicContact CG2-CG 3.5Å; T223-Y375 VanDerWaalsContact CG2-CG 3.5Å; T223-M380 WeakPolarHBondContact CB-O 3.42Å; T223-M380 HydrophobicContact CG2-CB 4.49Å
224	K	93.3	Very high	89.8	Confident	40 Å²	40	29.3 Å²	29.3	17%	0.174	15%	0.145	C	C	.	.	H	α-helix	trans	-61.9	-40	177.1	-170.2	167.7	-172.3	167	0	112.3	I163 E164 A167 T220 H221 L222 T228 M380	I163-K224 HydrophobicContact CG2-CB 4.3Å; I163-K224 HydrophobicContact CG2-CG 4.24Å; E164-K224 IonicContact OE1-NZ 3.68Å; E164-K224 PolarHBondContact OE1-NZ 2.83Å; E164-K224 VanDerWaalsContact OE2-CE 3.25Å; E164-K224 WeakPolarHBondContact OE2-CE 3.38Å; E164-K224 IonicContact OE2-NZ 2.82Å; E164-K224 PolarHBondContact OE2-NZ 3.08Å; A167-K224 HydrophobicContact CB-CG 4.48Å; T220-K224 WeakPolarHBondContact O-CB 3.45Å; T220-K224 PolarHBondContact O-N 3.27Å; H221-K224 PolarHBondContact O-N 3.48Å; L222-K224 VanDerWaalsContact C-N 3.34Å; K224-T228 WeakPolarHBondContact O-CB 3.32Å; K224-T228 PolarHBondContact O-N 2.99Å; K224-T228 PolarHBondContact O-OG1 2.04Å; K224-M380 HydrophobicContact CB-CB 4.41Å; K224-M380 HydrophobicContact CB-CG 4.14Å; K224-M380 HydrophobicContact CG-CG 4.31Å
225	L	94.3	Very high	90	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-61.3	-52.3	173.4	177.1	62.9	0	0	0	110.8	I163 L166 V198 F201 V202 H221 L222 T223 H227 T228 V229	I163-L225 HydrophobicContact CD1-CB 4.19Å; I163-L225 HydrophobicContact CD1-CD2 4.47Å; I163-L225 HydrophobicContact CG1-CB 4.32Å; I163-L225 HydrophobicContact CG1-CD1 4.29Å; I163-L225 HydrophobicContact CG2-CB 4.2Å; L166-L225 HydrophobicContact CD1-CD1 4.47Å; V198-L225 HydrophobicContact CG1-CD1 4.31Å; V198-L225 HydrophobicContact CG1-CD2 4.49Å; V198-L225 HydrophobicContact CG2-CD1 4.43Å; F201-L225 HydrophobicContact CB-CD2 3.91Å; V202-L225 HydrophobicContact CG1-CD2 3.98Å; H221-L225 WeakPolarHBondContact O-CB 3.45Å; H221-L225 PolarHBondContact O-N 2.85Å; L222-L225 HydrophobicContact CD1-CD2 4.45Å; L222-L225 PolarHBondContact O-N 2.77Å; T223-L225 VanDerWaalsContact C-N 3.34Å; T223-L225 PolarHBondContact O-N 3.33Å; L225-H227 PolarHBondContact O-N 3.06Å; L225-T228 WeakPolarHBondContact O-CB 3.47Å; L225-T228 PolarHBondContact O-N 3.29Å; L225-V229 HydrophobicContact CD1-CG2 4.13Å; L225-V229 VanDerWaalsContact O-CG2 3.27Å; L225-V229 WeakPolarHBondContact O-CG2 3.2Å; L225-V229 PolarHBondContact O-N 2.88Å
226	M	94.3	Very high	90.2	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-57.6	-46.9	179.1	-70	168.6	61.1	0	0	111.9	L222 T223 T228 V229 E230 Y302 I305 L309 V335 H408	L222-M226 HydrophobicContact CG-SD 4.43Å; L222-M226 WeakPolarHBondContact O-CG 3.27Å; L222-M226 PolarHBondContact O-N 3.42Å; T223-M226 PolarHBondContact O-N 2.78Å; M226-T228 PolarHBondContact O-N 2.83Å; M226-V229 PolarHBondContact O-N 3.05Å; M226-E230 WeakPolarHBondContact O-CB 3.48Å; M226-E230 PolarHBondContact O-N 2.87Å; M226-Y302 HydrophobicContact CG-CE2 4.3Å; M226-I305 HydrophobicContact CE-CD1 4.39Å; M226-I305 HydrophobicContact CG-CD1 4.33Å; M226-I305 HydrophobicContact SD-CD1 3.72Å; M226-L309 HydrophobicContact SD-CD1 4.22Å; M226-V335 HydrophobicContact CE-CG1 4.09Å; M226-H408 HydrophobicContact CE-CB 3.56Å; M226-H408 VanDerWaalsContact CE-ND1 3.3Å; M226-H408 WeakPolarHBondContact CE-ND1 3.42Å
227	H	93.4	Very high	90.3	Very high	16 Å²	16	25 Å²	25	7%	0.074	11%	0.109	C	C	.	.	H	α-helix	trans	-61.3	-42.3	176.3	-178.3	74.4	0	0	0	112.7	T223 L225 E230 R231 Y375 M380	T223-H227 WeakPolarHBondContact O-CB 3.09Å; T223-H227 PolarHBondContact O-N 2.99Å; L225-H227 PolarHBondContact O-N 3.06Å; H227-E230 PolarHBondContact O-N 2.9Å; H227-R231 VanDerWaalsContact NE2-CD 3.27Å; H227-R231 WeakPolarHBondContact NE2-CD 3.39Å; H227-R231 PolarHBondContact NE2-NE 3.22Å; H227-R231 PolarHBondContact NE2-NH1 2.61Å; H227-R231 VanDerWaalsContact NE2-NH1 3.11Å; H227-R231 WeakPolarHBondContact O-CB 3.48Å; H227-R231 PolarHBondContact O-N 2.75Å; H227-Y375 HydrophobicContact CB-CE2 4.13Å; H227-Y375 AromaticContact ND1-CE2 3.68Å; H227-Y375 AromaticContact ND1-CZ 3.76Å; H227-Y375 PolarHBondContact ND1-OH 3.5Å; H227-M380 HydrophobicContact CB-CE 4.46Å; H227-M380 HydrophobicContact CB-SD 4.22Å; H227-M380 WeakPolarHBondContact CD2-CE 2.98Å
228	T	92.6	Very high	90.1	Very high	8 Å²	8	27.5 Å²	27.5	5%	0.049	12%	0.121	C	C	.	.	H	α-helix	trans	-63.1	-44.9	178.6	-65.4	0	0	0	0	111.2	L166 A167 K224 L225 M226 R231 A232	L166-T228 HydrophobicContact CB-CG2 4.17Å; L166-T228 WeakPolarHBondContact O-CG2 3.15Å; A167-T228 HydrophobicContact CB-CG2 4.28Å; A167-T228 WeakPolarHBondContact CB-OG1 3.3Å; K224-T228 WeakPolarHBondContact O-CB 3.32Å; K224-T228 PolarHBondContact O-N 2.99Å; K224-T228 PolarHBondContact O-OG1 2.04Å; L225-T228 WeakPolarHBondContact O-CB 3.47Å; L225-T228 PolarHBondContact O-N 3.29Å; M226-T228 PolarHBondContact O-N 2.83Å; T228-R231 PolarHBondContact O-N 3.06Å; T228-A232 WeakPolarHBondContact O-CB 3.48Å; T228-A232 PolarHBondContact O-N 3.35Å
229	V	93.6	Very high	89.5	Confident	2 Å²	2	27.6 Å²	27.6	1%	0.012	12%	0.123	C	C	.	.	H	α-helix	trans	-66.3	-42.6	179.6	177.6	0	0	0	0	111	V198 L225 M226 T233 L300	V198-V229 HydrophobicContact CB-CG2 4.3Å; V198-V229 HydrophobicContact CG1-CG2 3.96Å; V198-V229 HydrophobicContact CG2-CG2 3.36Å; L225-V229 HydrophobicContact CD1-CG2 4.13Å; L225-V229 VanDerWaalsContact O-CG2 3.27Å; L225-V229 WeakPolarHBondContact O-CG2 3.2Å; L225-V229 PolarHBondContact O-N 2.88Å; M226-V229 PolarHBondContact O-N 3.05Å; V229-T233 VanDerWaalsContact O-CB 3.26Å; V229-T233 WeakPolarHBondContact O-CB 3.22Å; V229-T233 PolarHBondContact O-N 2.91Å; V229-T233 PolarHBondContact O-OG1 3.01Å; V229-L300 HydrophobicContact CG1-CD1 3.82Å; V229-L300 HydrophobicContact CG1-CD2 3.74Å; V229-L300 HydrophobicContact CG1-CG 4.46Å
230	E	92.6	Very high	89	Confident	37 Å²	37	26.1 Å²	26.1	17%	0.173	12%	0.117	C	C	.	.	H	α-helix	trans	-58	-52.4	174.7	-172.3	-168.6	162.2	0	0	111.1	M226 H227 T233 L234 L300 S339 H408	M226-E230 WeakPolarHBondContact O-CB 3.48Å; M226-E230 PolarHBondContact O-N 2.87Å; H227-E230 PolarHBondContact O-N 2.9Å; E230-T233 PolarHBondContact O-N 3.43Å; E230-L234 HydrophobicContact CG-CD1 4.39Å; E230-L234 WeakPolarHBondContact O-CG 3.37Å; E230-L234 PolarHBondContact O-N 3.43Å; E230-L300 HydrophobicContact CB-CD1 4.43Å; E230-S339 WeakPolarHBondContact CG-OG 3.4Å; E230-S339 WeakPolarHBondContact OE1-CB 3.32Å; E230-H408 IonicContact OE2-NE2 3.99Å
231	R	90.3	Very high	88	Confident	125 Å²	125	29 Å²	29	47%	0.472	13%	0.128	S	C	.	.	H	α-helix	trans	-63.5	-43.9	179.9	-80.6	-165.5	149.3	165.9	-11.6	113.2	H227 T228 T233 L234 R235	H227-R231 VanDerWaalsContact NE2-CD 3.27Å; H227-R231 WeakPolarHBondContact NE2-CD 3.39Å; H227-R231 PolarHBondContact NE2-NE 3.22Å; H227-R231 PolarHBondContact NE2-NH1 2.61Å; H227-R231 VanDerWaalsContact NE2-NH1 3.11Å; H227-R231 WeakPolarHBondContact O-CB 3.48Å; H227-R231 PolarHBondContact O-N 2.75Å; T228-R231 PolarHBondContact O-N 3.06Å; R231-T233 VanDerWaalsContact C-N 3.33Å; R231-L234 PolarHBondContact O-N 2.8Å; R231-R235 WeakPolarHBondContact O-CB 3.35Å; R231-R235 WeakPolarHBondContact O-CG 2.96Å; R231-R235 PolarHBondContact O-N 3.47Å
232	A	90	Very high	87.3	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.008	15%	0.152	C	C	.	.	H	α-helix	trans	-60.2	-45.4	177.6	0	0	0	0	0	110.9	L173 L194 T228 R235 L236	L173-A232 HydrophobicContact CD1-CB 3.67Å; L194-A232 HydrophobicContact CD2-CB 3.86Å; T228-A232 WeakPolarHBondContact O-CB 3.48Å; T228-A232 PolarHBondContact O-N 3.35Å; A232-R235 PolarHBondContact O-N 2.97Å; A232-L236 WeakPolarHBondContact O-CB 3.35Å; A232-L236 WeakPolarHBondContact O-CG 3.03Å; A232-L236 PolarHBondContact O-N 2.81Å
233	T	90.7	Very high	86.6	Confident	0 Å²	0	37 Å²	37	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.3	-45.5	178.7	-58	0	0	0	0	111.7	L191 V229 E230 R231 R235 L236 S237 L255 V257 A298	L191-T233 HydrophobicContact CD2-CG2 4.21Å; V229-T233 VanDerWaalsContact O-CB 3.26Å; V229-T233 WeakPolarHBondContact O-CB 3.22Å; V229-T233 PolarHBondContact O-N 2.91Å; V229-T233 PolarHBondContact O-OG1 3.01Å; E230-T233 PolarHBondContact O-N 3.43Å; R231-T233 VanDerWaalsContact C-N 3.33Å; T233-R235 PolarHBondContact O-N 2.9Å; T233-L236 PolarHBondContact O-N 2.92Å; T233-S237 VanDerWaalsContact O-CB 3.3Å; T233-S237 WeakPolarHBondContact O-CB 3.3Å; T233-S237 PolarHBondContact O-N 2.69Å; T233-S237 PolarHBondContact O-OG 3.17Å; T233-L255 HydrophobicContact CG2-CD1 3.55Å; T233-L255 HydrophobicContact CG2-CD2 4.2Å; T233-L255 HydrophobicContact CG2-CG 4.5Å; T233-V257 HydrophobicContact CG2-CG2 3.7Å; T233-A298 HydrophobicContact CG2-CB 3.63Å
234	L	88.7	Confident	86.1	Confident	26 Å²	26	39 Å²	39	14%	0.136	18%	0.179	C	C	.	.	H	α-helix	trans	-64	-39.2	177.7	-71.8	178.6	0	0	0	112.2	E230 R231 S237 Q238 A298	E230-L234 HydrophobicContact CG-CD1 4.39Å; E230-L234 WeakPolarHBondContact O-CG 3.37Å; E230-L234 PolarHBondContact O-N 3.43Å; R231-L234 PolarHBondContact O-N 2.8Å; L234-S237 WeakPolarHBondContact CA-OG 3.43Å; L234-S237 PolarHBondContact O-N 3.23Å; L234-S237 PolarHBondContact O-OG 3.13Å; L234-Q238 WeakPolarHBondContact O-CG 3.25Å; L234-Q238 PolarHBondContact O-N 3.26Å; L234-A298 HydrophobicContact CD2-CB 4.12Å
235	R	85.7	Confident	85.8	Confident	96 Å²	96	42 Å²	42	36%	0.362	19%	0.194	S	C	.	.	H	α-helix	trans	-67.7	-44.2	175.7	-74.6	179.3	178.6	151.5	1.8	112.5	S170 R231 A232 T233 S237 Q238	S170-R235 VanDerWaalsContact C-NH1 3.26Å; S170-R235 PolarHBondContact O-NH1 2.84Å; S170-R235 PolarHBondContact OG-NH1 3.16Å; R231-R235 WeakPolarHBondContact O-CB 3.35Å; R231-R235 WeakPolarHBondContact O-CG 2.96Å; R231-R235 PolarHBondContact O-N 3.47Å; A232-R235 PolarHBondContact O-N 2.97Å; T233-R235 PolarHBondContact O-N 2.9Å; R235-S237 VanDerWaalsContact C-N 3.28Å; R235-S237 PolarHBondContact O-N 2.96Å; R235-Q238 PolarHBondContact O-N 2.89Å
236	L	86.3	Confident	85.6	Confident	1 Å²	1	43 Å²	43	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-63	-38.5	176.7	-76.5	167.8	0	0	0	111	L173 T190 L191 L194 A232 T233 Q238 S239	L173-L236 HydrophobicContact CB-CD2 4.25Å; L173-L236 HydrophobicContact CB-CG 4.32Å; L173-L236 WeakPolarHBondContact O-CD2 3.33Å; T190-L236 HydrophobicContact CG2-CD1 3.94Å; T190-L236 HydrophobicContact CG2-CD2 3.82Å; L191-L236 HydrophobicContact CD2-CB 3.8Å; L191-L236 HydrophobicContact CD2-CD1 3.57Å; L191-L236 HydrophobicContact CD2-CG 4.33Å; L191-L236 HydrophobicContact CG-CB 4.21Å; L191-L236 HydrophobicContact CG-CD1 4.12Å; L194-L236 HydrophobicContact CD2-CD1 4.36Å; A232-L236 WeakPolarHBondContact O-CB 3.35Å; A232-L236 WeakPolarHBondContact O-CG 3.03Å; A232-L236 PolarHBondContact O-N 2.81Å; T233-L236 PolarHBondContact O-N 2.92Å; L236-Q238 VanDerWaalsContact C-N 3.34Å; L236-Q238 PolarHBondContact O-N 3.01Å; L236-S239 VanDerWaalsContact O-CB 3.23Å; L236-S239 WeakPolarHBondContact O-CB 3.03Å; L236-S239 PolarHBondContact O-N 2.83Å; L236-S239 VanDerWaalsContact O-N 3.13Å; L236-S239 PolarHBondContact O-OG 2.58Å
237	S	84.6	Confident	85.4	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-71.2	-24	179.1	61.5	0	0	0	0	114.3	T233 L234 R235 S239 F240 F259 A296	T233-S237 VanDerWaalsContact O-CB 3.3Å; T233-S237 WeakPolarHBondContact O-CB 3.3Å; T233-S237 PolarHBondContact O-N 2.69Å; T233-S237 PolarHBondContact O-OG 3.17Å; L234-S237 WeakPolarHBondContact CA-OG 3.43Å; L234-S237 PolarHBondContact O-N 3.23Å; L234-S237 PolarHBondContact O-OG 3.13Å; R235-S237 VanDerWaalsContact C-N 3.28Å; R235-S237 PolarHBondContact O-N 2.96Å; S237-S239 PolarHBondContact O-N 2.94Å; S237-F240 VanDerWaalsContact O-CD2 3.24Å; S237-F240 WeakPolarHBondContact O-CD2 3.34Å; S237-F240 PolarHBondContact O-N 3.09Å; S237-F259 VanDerWaalsContact O-CD2 3.27Å; S237-F259 WeakPolarHBondContact O-CD2 3.24Å; S237-A296 WeakPolarHBondContact OG-CB 3.13Å
238	Q	78.5	Confident	85.3	Confident	114 Å²	114	47.5 Å²	47.5	53%	0.533	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-15.3	170.8	-72.3	173.8	-0.1	0	0	113.3	L234 R235 L236 F240 S341	L234-Q238 WeakPolarHBondContact O-CG 3.25Å; L234-Q238 PolarHBondContact O-N 3.26Å; R235-Q238 PolarHBondContact O-N 2.89Å; L236-Q238 VanDerWaalsContact C-N 3.34Å; L236-Q238 PolarHBondContact O-N 3.01Å; Q238-F240 VanDerWaalsContact C-N 3.31Å; Q238-S341 PolarHBondContact NE2-OG 3.08Å
239	S	75.6	Confident	85.3	Confident	9 Å²	9	51.9 Å²	51.9	6%	0.063	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-24.6	179	74.7	0	0	0	0	113.2	K183 S187 L236 S237	K183-S239 WeakPolarHBondContact CD-O 3.49Å; S187-S239 WeakPolarHBondContact CB-OG 3.3Å; S187-S239 PolarHBondContact OG-OG 3.22Å; L236-S239 VanDerWaalsContact O-CB 3.23Å; L236-S239 WeakPolarHBondContact O-CB 3.03Å; L236-S239 PolarHBondContact O-N 2.83Å; L236-S239 VanDerWaalsContact O-N 3.13Å; L236-S239 PolarHBondContact O-OG 2.58Å; S237-S239 PolarHBondContact O-N 2.94Å
240	F	77	Confident	85.3	Confident	4 Å²	4	53.7 Å²	53.7	2%	0.018	26%	0.259	C	S	.	.			trans	-64.5	144.9	178.9	-65.4	-65	0	0	0	110.3	D184 N188 L191 S237 Q238 F259	D184-F240 HydrophobicContact CB-CD1 4.17Å; D184-F240 HydrophobicContact CB-CE1 4.28Å; D184-F240 WeakPolarHBondContact OD1-CD1 3.1Å; N188-F240 VanDerWaalsContact OD1-CE1 3.29Å; N188-F240 WeakPolarHBondContact OD1-CE1 3.46Å; N188-F240 WeakPolarHBondContact OD1-CZ 3.37Å; L191-F240 HydrophobicContact CD1-CE2 4.23Å; L191-F240 HydrophobicContact CD1-CZ 4.2Å; S237-F240 VanDerWaalsContact O-CD2 3.24Å; S237-F240 WeakPolarHBondContact O-CD2 3.34Å; S237-F240 PolarHBondContact O-N 3.09Å; Q238-F240 VanDerWaalsContact C-N 3.31Å; F240-F259 HydrophobicContact CB-CB 4.02Å; F240-F259 HydrophobicContact CB-CD1 3.91Å; F240-F259 HydrophobicContact CB-CD2 3.74Å; F240-F259 HydrophobicContact CB-CE1 4.23Å; F240-F259 HydrophobicContact CB-CE2 4.08Å; F240-F259 HydrophobicContact CB-CG 3.61Å; F240-F259 HydrophobicContact CB-CZ 4.3Å; F240-F259 HydrophobicContact CD2-CB 4.26Å; F240-F259 HydrophobicContact CG-CB 4.4Å; F240-F259 HydrophobicContact CG-CG 4.47Å; F240-F259 VanDerWaalsContact O-CE2 3.31Å; F240-F259 WeakPolarHBondContact O-CE2 3.09Å; F240-F259 WeakPolarHBondContact O-CZ 3.33Å
241	Q	70.1	Confident	85.1	Confident	100 Å²	100	56 Å²	56	47%	0.467	28%	0.276	S	S	.	.			trans	-117.2	-23	178.9	-67.6	-171	-10.1	0	0	113.4
242	K	75.8	Confident	85.2	Confident	143 Å²	143	50.8 Å²	50.8	62%	0.622	26%	0.257	S	S	*	.	S	Bend	trans	-109.1	151.1	177.8	-67.9	-177.1	-179.3	178.7	0	110.2	T244 F259	K242-T244 HydrophobicContact CB-CG2 4.5Å; K242-T244 WeakPolarHBondContact O-CG2 3.39Å; K242-T244 PolarHBondContact O-N 3.15Å; K242-T244 PolarHBondContact O-OG1 3.29Å; K242-F259 WeakPolarHBondContact O-CD1 3.26Å
243	T	77.9	Confident	85.4	Confident	51 Å²	51	50.8 Å²	50.8	31%	0.313	26%	0.257	S	S	.	.			trans	-56.4	113.5	172	-54.6	0	0	0	0	109.9	F259 I268	T243-F259 CarbonylContact C-O 3.59Å; T243-F259 WeakPolarHBondContact CA-O 3.28Å; T243-F259 WeakPolarHBondContact CG2-O 3.17Å; T243-I268 HydrophobicContact CG2-CD1 4.15Å
244	T	82.8	Confident	85.6	Confident	45 Å²	45	51 Å²	51	28%	0.276	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	150.3	-175.5	51.3	0	0	0	0	110.3	K242 F259	K242-T244 HydrophobicContact CB-CG2 4.5Å; K242-T244 WeakPolarHBondContact O-CG2 3.39Å; K242-T244 PolarHBondContact O-N 3.15Å; K242-T244 PolarHBondContact O-OG1 3.29Å; T244-F259 PolarHBondContact N-O 3.03Å; T244-F259 PolarHBondContact O-N 3.38Å
245	Q	86.9	Confident	86	Confident	103 Å²	103	49.7 Å²	49.7	48%	0.481	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	136.2	166.8	-179.6	-172.6	-46	0	0	107.4	D247 V257 F258	Q245-D247 PolarHBondContact NE2-OD1 3.06Å; Q245-V257 WeakPolarHBondContact CA-O 3.48Å; Q245-F258 HydrophobicContact CB-CD1 4.34Å; Q245-F258 HydrophobicContact CB-CE1 4.39Å; Q245-F258 HydrophobicContact CG-CD1 4.14Å; Q245-F258 HydrophobicContact CG-CE1 3.87Å; Q245-F258 HydrophobicContact CG-CZ 4.25Å
246	F	89.3	Confident	86.4	Confident	22 Å²	22	46.4 Å²	46.4	10%	0.096	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	132.6	173.4	174.5	-96.4	0	0	0	109.1	N188 L191 T192 T248 L255 K256 V257	N188-F246 HydrophobicContact CB-CD2 3.87Å; N188-F246 HydrophobicContact CB-CE2 3.63Å; N188-F246 HydrophobicContact CB-CZ 4.49Å; N188-F246 VanDerWaalsContact CG-CD2 3.44Å; N188-F246 WeakPolarHBondContact O-CZ 3.36Å; N188-F246 VanDerWaalsContact OD1-CD2 3.3Å; N188-F246 WeakPolarHBondContact OD1-CD2 3.39Å; L191-F246 HydrophobicContact CB-CD1 4.23Å; L191-F246 HydrophobicContact CB-CE1 3.47Å; L191-F246 VanDerWaalsContact CB-CE1 3.47Å; L191-F246 HydrophobicContact CB-CZ 3.84Å; L191-F246 HydrophobicContact CD1-CD1 3.75Å; L191-F246 HydrophobicContact CD1-CE1 3.88Å; L191-F246 HydrophobicContact CD1-CG 4.39Å; L191-F246 HydrophobicContact CG-CE1 4.32Å; T192-F246 WeakPolarHBondContact OG1-CZ 3.24Å; F246-T248 HydrophobicContact CE1-CG2 3.59Å; F246-T248 HydrophobicContact CZ-CG2 3.89Å; F246-L255 HydrophobicContact CE1-CD2 4.37Å; F246-K256 CarbonylContact O-C 3.41Å; F246-K256 WeakPolarHBondContact O-CA 3.29Å; F246-V257 PolarHBondContact N-O 2.6Å; F246-V257 PolarHBondContact O-N 2.01Å
247	D	90.9	Very high	86.7	Confident	91 Å²	91	46.4 Å²	46.4	49%	0.487	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	139.7	174	50.8	-86.3	0	0	0	110.5	Q245 L255 K256	Q245-D247 PolarHBondContact NE2-OD1 3.06Å; D247-L255 WeakPolarHBondContact CA-O 3.44Å; D247-K256 HydrophobicContact CB-CB 4.45Å; D247-K256 HydrophobicContact CB-CG 4.13Å
248	T	92.4	Very high	86.9	Confident	20 Å²	20	46.9 Å²	46.9	12%	0.123	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	133.5	176.3	-168.6	0	0	0	0	109.7	V195 F246 L255	V195-T248 HydrophobicContact CB-CG2 3.97Å; V195-T248 HydrophobicContact CG1-CG2 4.18Å; V195-T248 HydrophobicContact CG2-CG2 3.66Å; F246-T248 HydrophobicContact CE1-CG2 3.59Å; F246-T248 HydrophobicContact CZ-CG2 3.89Å; T248-L255 HydrophobicContact CG2-CB 4.07Å; T248-L255 HydrophobicContact CG2-CD2 4.31Å; T248-L255 PolarHBondContact N-O 2.94Å; T248-L255 PolarHBondContact O-N 3.49Å
249	N	92.4	Very high	87.3	Confident	100 Å²	100	41.8 Å²	41.8	54%	0.535	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	140.4	-173.7	-59.2	-7.3	0	0	0	109.3	A254	N249-A254 HydrophobicContact CB-CB 4.41Å
250	S	91.9	Very high	87.8	Confident	39 Å²	39	41.4 Å²	41.4	27%	0.273	22%	0.216	S	C	.	.			trans	-124.9	-170	168.5	-67.2	0	0	0	0	109.3	N199 I253	N199-S250 WeakPolarHBondContact OD1-CB 3.5Å; S250-I253 CarbonylContact C-O 3.43Å; S250-I253 WeakPolarHBondContact CA-O 3.49Å; S250-I253 PolarHBondContact N-O 3.41Å
251	T	89.6	Confident	88	Confident	85 Å²	85	43.7 Å²	43.7	52%	0.521	23%	0.228	S	C	.	.	S	Bend	trans	-66.8	-43.6	-171.7	55.8	0	0	0	0	113.4	N199 Q203	N199-T251 PolarHBondContact ND2-OG1 3.43Å; N199-T251 PolarHBondContact OD1-N 3.22Å; N199-T251 PolarHBondContact OD1-OG1 3.25Å; N199-T251 VanDerWaalsContact OD1-OG1 3.14Å; Q203-T251 PolarHBondContact NE2-OG1 3.47Å; Q203-T251 VanDerWaalsContact NE2-OG1 3.15Å
252	D	91.6	Very high	88.1	Confident	16 Å²	16	39.2 Å²	39.2	9%	0.086	21%	0.208	C	C	.	.	S	Bend	trans	-123.6	-1	-175.2	-79.3	-70.4	0	0	0	113.9	N199 V202 Q203 Y302 K303 S304	N199-D252 PolarHBondContact OD1-N 3.45Å; V202-D252 HydrophobicContact CG2-CB 4.15Å; Q203-D252 WeakPolarHBondContact CA-OD2 3.23Å; D252-Y302 CarbonylContact O-C 3.52Å; D252-Y302 WeakPolarHBondContact O-CA 3.35Å; D252-K303 HydrophobicContact CB-CB 4.45Å; D252-K303 PolarHBondContact O-N 2.97Å; D252-S304 VanDerWaalsContact OD1-CB 3.24Å; D252-S304 WeakPolarHBondContact OD1-CB 3.41Å; D252-S304 PolarHBondContact OD1-OG 2.95Å
253	I	94.6	Very high	87.8	Confident	2 Å²	2	36 Å²	36	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	139.4	173.6	-176.3	171.9	0	0	0	111.2	V195 V198 N199 V202 S250 L300 Y301 Y302	V195-I253 HydrophobicContact CG1-CG1 4.45Å; V195-I253 HydrophobicContact CG1-CG2 3.75Å; V198-I253 HydrophobicContact CB-CD1 4.05Å; V198-I253 HydrophobicContact CG1-CD1 3.54Å; N199-I253 HydrophobicContact CB-CG2 3.63Å; V202-I253 HydrophobicContact CG2-CB 4.22Å; V202-I253 HydrophobicContact CG2-CG2 4.38Å; S250-I253 CarbonylContact C-O 3.43Å; S250-I253 WeakPolarHBondContact CA-O 3.49Å; S250-I253 PolarHBondContact N-O 3.41Å; I253-L300 HydrophobicContact CD1-CD2 4.32Å; I253-Y301 CarbonylContact C-O 3.53Å; I253-Y301 VanDerWaalsContact CA-O 3.24Å; I253-Y301 WeakPolarHBondContact CA-O 3.35Å; I253-Y302 HydrophobicContact CB-CD1 4.47Å; I253-Y302 HydrophobicContact CD1-CD1 4.21Å; I253-Y302 HydrophobicContact CD1-CE1 3.63Å; I253-Y302 HydrophobicContact CG1-CD1 4.26Å; I253-Y302 HydrophobicContact CG1-CE1 4.15Å
254	A	95.7	Very high	87.5	Confident	3 Å²	3	39 Å²	39	3%	0.025	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	143.5	169.5	0	0	0	0	0	110.4	N249 V274 L300 Y301	N249-A254 HydrophobicContact CB-CB 4.41Å; A254-V274 HydrophobicContact CB-CG1 4.25Å; A254-V274 HydrophobicContact CB-CG2 4.02Å; A254-L300 WeakPolarHBondContact O-CA 3Å; A254-Y301 HydrophobicContact CB-CD1 4.28Å; A254-Y301 PolarHBondContact N-O 3.25Å; A254-Y301 PolarHBondContact O-N 3.08Å
255	L	95.9	Very high	86.8	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	131.9	-179	171.6	68.1	0	0	0	109.7	L191 V195 T233 F246 D247 T248 V257 F299 L300	L191-L255 HydrophobicContact CB-CD2 4.26Å; L191-L255 HydrophobicContact CD2-CD2 3.99Å; V195-L255 HydrophobicContact CG2-CB 3.6Å; V195-L255 HydrophobicContact CG2-CD2 3.61Å; V195-L255 HydrophobicContact CG2-CG 4.23Å; T233-L255 HydrophobicContact CG2-CD1 3.55Å; T233-L255 HydrophobicContact CG2-CD2 4.2Å; T233-L255 HydrophobicContact CG2-CG 4.5Å; F246-L255 HydrophobicContact CE1-CD2 4.37Å; D247-L255 WeakPolarHBondContact CA-O 3.44Å; T248-L255 HydrophobicContact CG2-CB 4.07Å; T248-L255 HydrophobicContact CG2-CD2 4.31Å; T248-L255 PolarHBondContact N-O 2.94Å; T248-L255 PolarHBondContact O-N 3.49Å; L255-V257 HydrophobicContact CD1-CG2 3.83Å; L255-V257 HydrophobicContact CD2-CG2 4.27Å; L255-V257 HydrophobicContact CG-CG2 4.05Å; L255-F299 WeakPolarHBondContact CA-O 2.98Å; L255-F299 WeakPolarHBondContact CD1-O 3.31Å; L255-L300 HydrophobicContact CB-CD2 4.16Å; L255-L300 HydrophobicContact CD1-CD2 3.54Å; L255-L300 HydrophobicContact CD1-CG 3.97Å; L255-L300 HydrophobicContact CG-CD2 4.37Å
256	K	94.3	Very high	85.7	Confident	26 Å²	26	41 Å²	41	11%	0.113	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	126.3	170.8	-170.1	171.3	-172	-168.8	0	110.5	F246 D247 F258 H271 M272 F299	F246-K256 CarbonylContact O-C 3.41Å; F246-K256 WeakPolarHBondContact O-CA 3.29Å; D247-K256 HydrophobicContact CB-CB 4.45Å; D247-K256 HydrophobicContact CB-CG 4.13Å; K256-F258 HydrophobicContact CD-CE2 3.85Å; K256-F258 HydrophobicContact CD-CZ 4.16Å; K256-F258 VanDerWaalsContact CE-CZ 3.41Å; K256-F258 HydrophobicContact CG-CD2 4.42Å; K256-F258 HydrophobicContact CG-CE2 3.82Å; K256-F258 HydrophobicContact CG-CZ 4.42Å; K256-H271 WeakPolarHBondContact CD-O 3.24Å; K256-H271 WeakPolarHBondContact CE-O 3.39Å; K256-H271 PolarHBondContact NZ-O 2.72Å; K256-M272 HydrophobicContact CB-CG 4.19Å; K256-M272 HydrophobicContact CB-SD 3.49Å; K256-M272 WeakPolarHBondContact CB-SD 3.49Å; K256-M272 HydrophobicContact CD-CB 4.23Å; K256-M272 HydrophobicContact CD-CG 4.18Å; K256-F299 HydrophobicContact CB-CB 4.35Å; K256-F299 PolarHBondContact N-O 2.98Å; K256-F299 PolarHBondContact O-N 3.25Å
257	V	92.4	Very high	84.6	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.012	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	132.7	-178	-177.9	0	0	0	0	109.4	T233 Q245 F246 L255 V297 A298	T233-V257 HydrophobicContact CG2-CG2 3.7Å; Q245-V257 WeakPolarHBondContact CA-O 3.48Å; F246-V257 PolarHBondContact N-O 2.6Å; F246-V257 PolarHBondContact O-N 2.01Å; L255-V257 HydrophobicContact CD1-CG2 3.83Å; L255-V257 HydrophobicContact CD2-CG2 4.27Å; L255-V257 HydrophobicContact CG-CG2 4.05Å; V257-V297 CarbonylContact C-O 3.55Å; V257-V297 WeakPolarHBondContact CA-O 3.44Å; V257-A298 HydrophobicContact CG2-CB 4.33Å
258	F	89.3	Confident	83.8	Confident	10 Å²	10	46 Å²	46	4%	0.044	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	121.1	169.5	-67.8	-96	0	0	0	108.8	Q245 K256 I260 P270 H271 A296 V297 F299	Q245-F258 HydrophobicContact CB-CD1 4.34Å; Q245-F258 HydrophobicContact CB-CE1 4.39Å; Q245-F258 HydrophobicContact CG-CD1 4.14Å; Q245-F258 HydrophobicContact CG-CE1 3.87Å; Q245-F258 HydrophobicContact CG-CZ 4.25Å; K256-F258 HydrophobicContact CD-CE2 3.85Å; K256-F258 HydrophobicContact CD-CZ 4.16Å; K256-F258 VanDerWaalsContact CE-CZ 3.41Å; K256-F258 HydrophobicContact CG-CD2 4.42Å; K256-F258 HydrophobicContact CG-CE2 3.82Å; K256-F258 HydrophobicContact CG-CZ 4.42Å; F258-I260 HydrophobicContact CB-CD1 4.09Å; F258-I260 HydrophobicContact CB-CG1 4.18Å; F258-P270 HydrophobicContact CB-CB 4.47Å; F258-P270 HydrophobicContact CD2-CB 3.89Å; F258-P270 HydrophobicContact CE2-CB 4.2Å; F258-P270 HydrophobicContact CG-CB 4.09Å; F258-H271 WeakPolarHBondContact CE2-O 3.31Å; F258-A296 CarbonylContact O-C 3.52Å; F258-A296 WeakPolarHBondContact O-CA 3.38Å; F258-V297 HydrophobicContact CB-CB 4.37Å; F258-V297 PolarHBondContact N-O 2.87Å; F258-V297 PolarHBondContact O-N 3Å; F258-F299 HydrophobicContact CD2-CD2 4.06Å; F258-F299 AromaticContact CD2-CE2 3.74Å; F258-F299 HydrophobicContact CD2-CE2 3.74Å; F258-F299 HydrophobicContact CE2-CD2 4.07Å; F258-F299 AromaticContact CE2-CE2 3.79Å; F258-F299 HydrophobicContact CE2-CE2 3.79Å
259	F	87.8	Confident	83.3	Confident	7 Å²	7	49.9 Å²	49.9	3%	0.031	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	119.9	166.7	-174.7	-91.4	0	0	0	108.6	S237 F240 K242 T243 T244 N294 V295 A296	S237-F259 VanDerWaalsContact O-CD2 3.27Å; S237-F259 WeakPolarHBondContact O-CD2 3.24Å; F240-F259 HydrophobicContact CB-CB 4.02Å; F240-F259 HydrophobicContact CB-CD1 3.91Å; F240-F259 HydrophobicContact CB-CD2 3.74Å; F240-F259 HydrophobicContact CB-CE1 4.23Å; F240-F259 HydrophobicContact CB-CE2 4.08Å; F240-F259 HydrophobicContact CB-CG 3.61Å; F240-F259 HydrophobicContact CB-CZ 4.3Å; F240-F259 HydrophobicContact CD2-CB 4.26Å; F240-F259 HydrophobicContact CG-CB 4.4Å; F240-F259 HydrophobicContact CG-CG 4.47Å; F240-F259 VanDerWaalsContact O-CE2 3.31Å; F240-F259 WeakPolarHBondContact O-CE2 3.09Å; F240-F259 WeakPolarHBondContact O-CZ 3.33Å; K242-F259 WeakPolarHBondContact O-CD1 3.26Å; T243-F259 CarbonylContact C-O 3.59Å; T243-F259 WeakPolarHBondContact CA-O 3.28Å; T243-F259 WeakPolarHBondContact CG2-O 3.17Å; T244-F259 PolarHBondContact N-O 3.03Å; T244-F259 PolarHBondContact O-N 3.38Å; F259-N294 HydrophobicContact CE1-CB 4.42Å; F259-N294 HydrophobicContact CE2-CB 4.05Å; F259-N294 HydrophobicContact CZ-CB 3.66Å; F259-N294 WeakPolarHBondContact CZ-ND2 3.49Å; F259-V295 CarbonylContact C-O 3.31Å; F259-V295 WeakPolarHBondContact CA-O 3.24Å; F259-A296 HydrophobicContact CD2-CB 4.33Å
260	I	84.7	Confident	83	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	130.9	-170.6	-56.9	174.2	0	0	0	109.2	F258 M265 I268 P270 V295	F258-I260 HydrophobicContact CB-CD1 4.09Å; F258-I260 HydrophobicContact CB-CG1 4.18Å; I260-M265 HydrophobicContact CB-SD 4.33Å; I260-M265 HydrophobicContact CG2-CB 3.87Å; I260-M265 HydrophobicContact CG2-CG 4.15Å; I260-M265 HydrophobicContact CG2-SD 4.07Å; I260-I268 HydrophobicContact CD1-CB 4.22Å; I260-I268 HydrophobicContact CD1-CG2 3.72Å; I260-P270 HydrophobicContact CD1-CG 3.86Å; I260-V295 PolarHBondContact N-O 3.38Å; I260-V295 PolarHBondContact O-N 3.15Å
261	D	81.6	Confident	83	Confident	52 Å²	52	46.7 Å²	46.7	28%	0.278	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	136.4	167.3	-176.6	-35.1	0	0	0	109	S263 K264	D261-S263 PolarHBondContact O-N 2.96Å; D261-S263 PolarHBondContact OD1-N 2.99Å; D261-S263 VanDerWaalsContact OD1-N 3.07Å; D261-S263 PolarHBondContact OD1-OG 3.3Å; D261-K264 PolarHBondContact O-N 3.43Å
262	S	73.3	Confident	83.1	Confident	6 Å²	6	42.8 Å²	42.8	4%	0.042	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.7	-28.7	176.8	60.6	0	0	0	0	116	G293 Y348	S262-G293 WeakPolarHBondContact CA-O 3.41Å; S262-G293 WeakPolarHBondContact CB-O 3.39Å; S262-G293 PolarHBondContact N-O 3.11Å; S262-G293 PolarHBondContact OG-N 3.34Å; S262-G293 PolarHBondContact OG-O 3.2Å; S262-G293 VanDerWaalsContact OG-O 3.07Å; S262-Y348 WeakPolarHBondContact CA-OH 3.24Å
263	S	68.7	Low	83.2	Confident	74 Å²	74	46.9 Å²	46.9	52%	0.517	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-30	178.8	56.6	0	0	0	0	113.7	D261	D261-S263 PolarHBondContact O-N 2.96Å; D261-S263 PolarHBondContact OD1-N 2.99Å; D261-S263 VanDerWaalsContact OD1-N 3.07Å; D261-S263 PolarHBondContact OD1-OG 3.3Å
264	K	70.7	Confident	83	Confident	116 Å²	116	47.7 Å²	47.7	50%	0.504	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-6.2	-172.3	-65.2	-174.6	-180	-179.5	0	114.6	D261 K266 H267 I268	D261-K264 PolarHBondContact O-N 3.43Å; K264-K266 VanDerWaalsContact C-N 3.28Å; K264-K266 PolarHBondContact O-N 2.76Å; K264-H267 PolarHBondContact O-N 2.93Å; K264-I268 HydrophobicContact CB-CD1 4.24Å
265	M	68.8	Low	82.5	Confident	10 Å²	10	52.4 Å²	52.4	5%	0.049	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-22.6	-172.1	-159.8	138.3	163.1	0	0	114.7	I260 H267 P283 V295 M340 Y348	I260-M265 HydrophobicContact CB-SD 4.33Å; I260-M265 HydrophobicContact CG2-CB 3.87Å; I260-M265 HydrophobicContact CG2-CG 4.15Å; I260-M265 HydrophobicContact CG2-SD 4.07Å; M265-H267 PolarHBondContact O-N 2.95Å; M265-P283 HydrophobicContact CE-CB 3.46Å; M265-P283 VanDerWaalsContact CE-CB 3.46Å; M265-P283 HydrophobicContact CE-CG 3.18Å; M265-P283 HydrophobicContact CG-CG 4.32Å; M265-V295 HydrophobicContact CE-CB 4.27Å; M265-V295 HydrophobicContact CE-CG1 3.98Å; M265-V295 HydrophobicContact CE-CG2 4.23Å; M265-V295 HydrophobicContact SD-CB 3.98Å; M265-V295 HydrophobicContact SD-CG1 4.34Å; M265-V295 HydrophobicContact SD-CG2 3.89Å; M265-M340 HydrophobicContact CE-SD 4.33Å; M265-Y348 HydrophobicContact CB-CE1 4.32Å; M265-Y348 WeakPolarHBondContact CB-OH 3.39Å; M265-Y348 HydrophobicContact CE-CD1 3.83Å; M265-Y348 HydrophobicContact CE-CD2 4.18Å; M265-Y348 HydrophobicContact CE-CE1 3.68Å; M265-Y348 HydrophobicContact CE-CE2 4.05Å; M265-Y348 HydrophobicContact CE-CG 4.09Å; M265-Y348 HydrophobicContact CG-CE1 3.9Å; M265-Y348 HydrophobicContact SD-CD1 4.39Å; M265-Y348 HydrophobicContact SD-CD2 4.48Å; M265-Y348 HydrophobicContact SD-CE1 3.66Å; M265-Y348 HydrophobicContact SD-CE2 3.77Å; M265-Y348 PolarHBondContact SD-OH 2.97Å
266	K	64	Low	82	Confident	180 Å²	180	54.6 Å²	54.6	78%	0.783	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-22.8	175.8	-77.3	-175.4	177	-179.5	0	113.9	K264	K264-K266 VanDerWaalsContact C-N 3.28Å; K264-K266 PolarHBondContact O-N 2.76Å
267	H	66.6	Low	81.9	Confident	165 Å²	165	53.4 Å²	53.4	76%	0.764	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	-10	-174.9	-60.5	-65.2	0	0	0	113.4	K264 M265	K264-H267 PolarHBondContact O-N 2.93Å; M265-H267 PolarHBondContact O-N 2.95Å
268	I	74.3	Confident	82	Confident	52 Å²	52	57.2 Å²	57.2	27%	0.267	29%	0.291	S	S	.	.			trans	-112.3	117.7	-177.4	-60.1	174.1	0	0	0	107.7	T243 I260 K264 P270	T243-I268 HydrophobicContact CG2-CD1 4.15Å; I260-I268 HydrophobicContact CD1-CB 4.22Å; I260-I268 HydrophobicContact CD1-CG2 3.72Å; K264-I268 HydrophobicContact CB-CD1 4.24Å; I268-P270 WeakPolarHBondContact O-CD 3.37Å
269	H	81.2	Confident	82.2	Confident	102 Å²	102	56.7 Å²	56.7	47%	0.472	29%	0.289	S	S	.	.			trans	-100.9	103.5	174.1	-61.1	-58.9	0	0	0	109.3	H271 F282	H269-H271 PolarHBondContact O-N 2.72Å; H269-H271 PolarHBondContact O-ND1 2.71Å; H269-F282 AromaticContact ND1-CD1 3.76Å; H269-F282 AromaticContact ND1-CE1 3.87Å
270	P	86.8	Confident	82.3	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.292	C	S	.	.			trans	-64.3	127.7	179.1	-17	31.5	0	0	0	109.6	F258 I260 I268 I281 V297 F299	F258-P270 HydrophobicContact CB-CB 4.47Å; F258-P270 HydrophobicContact CD2-CB 3.89Å; F258-P270 HydrophobicContact CE2-CB 4.2Å; F258-P270 HydrophobicContact CG-CB 4.09Å; I260-P270 HydrophobicContact CD1-CG 3.86Å; I268-P270 WeakPolarHBondContact O-CD 3.37Å; P270-I281 HydrophobicContact CB-CD1 4.19Å; P270-I281 HydrophobicContact CB-CG1 3.94Å; P270-I281 HydrophobicContact CG-CD1 4.21Å; P270-I281 HydrophobicContact CG-CG1 4.07Å; P270-I281 PolarHBondContact O-N 3.12Å; P270-V297 HydrophobicContact CB-CB 4.37Å; P270-V297 HydrophobicContact CB-CG1 4.12Å; P270-V297 HydrophobicContact CB-CG2 4.5Å; P270-V297 HydrophobicContact CG-CG2 4.23Å; P270-F299 HydrophobicContact CB-CE2 3.73Å; P270-F299 HydrophobicContact CB-CZ 3.87Å
271	H	91	Very high	82.5	Confident	72 Å²	72	57.2 Å²	57.2	33%	0.333	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	156.3	-179.2	66.8	-83.3	0	0	0	110.7	K256 F258 H269 Y278 I279 N280	K256-H271 WeakPolarHBondContact CD-O 3.24Å; K256-H271 WeakPolarHBondContact CE-O 3.39Å; K256-H271 PolarHBondContact NZ-O 2.72Å; F258-H271 WeakPolarHBondContact CE2-O 3.31Å; H269-H271 PolarHBondContact O-N 2.72Å; H269-H271 PolarHBondContact O-ND1 2.71Å; H271-Y278 HydrophobicContact CB-CE2 4.01Å; H271-I279 CarbonylContact C-O 3.55Å; H271-I279 WeakPolarHBondContact CA-O 3.1Å; H271-I279 WeakPolarHBondContact CB-O 3.31Å; H271-N280 HydrophobicContact CB-CB 4.02Å
272	M	92.5	Very high	82.4	Confident	3 Å²	3	58.8 Å²	58.8	2%	0.015	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	138.9	173.1	-173.7	159.8	109.5	0	0	110.1	K256 V274 Y278 I279 F299 Y301	K256-M272 HydrophobicContact CB-CG 4.19Å; K256-M272 HydrophobicContact CB-SD 3.49Å; K256-M272 WeakPolarHBondContact CB-SD 3.49Å; K256-M272 HydrophobicContact CD-CB 4.23Å; K256-M272 HydrophobicContact CD-CG 4.18Å; M272-V274 HydrophobicContact CE-CG2 3.87Å; M272-V274 HydrophobicContact CG-CG2 3.91Å; M272-V274 HydrophobicContact SD-CG2 4.3Å; M272-Y278 WeakPolarHBondContact O-CA 3.16Å; M272-I279 HydrophobicContact CB-CG2 3.86Å; M272-I279 PolarHBondContact N-O 2.04Å; M272-I279 PolarHBondContact O-N 3.02Å; M272-F299 HydrophobicContact CB-CB 3.88Å; M272-F299 HydrophobicContact CB-CD1 4.22Å; M272-F299 HydrophobicContact CB-CD2 4.37Å; M272-F299 HydrophobicContact CB-CG 3.92Å; M272-F299 HydrophobicContact CE-CB 4.24Å; M272-F299 HydrophobicContact CG-CB 4.32Å; M272-F299 HydrophobicContact SD-CB 3.43Å; M272-F299 WeakPolarHBondContact SD-CB 3.38Å; M272-F299 HydrophobicContact SD-CG 4.44Å; M272-Y301 HydrophobicContact CE-CG 4.17Å
273	N	92.9	Very high	82.5	Confident	101 Å²	101	59.5 Å²	59.5	54%	0.54	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	119.3	173.6	-175	-15.6	0	0	0	107.9	D277 Y278	N273-D277 CarbonylContact C-O 3.57Å; N273-D277 VanDerWaalsContact CA-O 3.26Å; N273-D277 WeakPolarHBondContact CA-O 3.29Å; N273-D277 PolarHBondContact OD1-O 2.84Å; N273-Y278 HydrophobicContact CB-CD2 4.23Å
274	V	91.6	Very high	82.9	Confident	19 Å²	19	61.4 Å²	61.4	12%	0.115	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	127.7	178.6	-179.7	0	0	0	0	108	A254 M272 G276 D277 Y301	A254-V274 HydrophobicContact CB-CG1 4.25Å; A254-V274 HydrophobicContact CB-CG2 4.02Å; M272-V274 HydrophobicContact CE-CG2 3.87Å; M272-V274 HydrophobicContact CG-CG2 3.91Å; M272-V274 HydrophobicContact SD-CG2 4.3Å; V274-G276 PolarHBondContact O-N 3.48Å; V274-D277 PolarHBondContact N-O 3.1Å; V274-D277 WeakPolarHBondContact O-CB 3.28Å; V274-D277 PolarHBondContact O-N 3.48Å; V274-Y301 HydrophobicContact CB-CD1 4.22Å; V274-Y301 HydrophobicContact CB-CE1 4.35Å; V274-Y301 HydrophobicContact CB-CG 4.36Å; V274-Y301 HydrophobicContact CG1-CD1 3.75Å; V274-Y301 HydrophobicContact CG1-CE1 3.68Å; V274-Y301 HydrophobicContact CG1-CG 4.38Å
275	D	85.1	Confident	83	Confident	102 Å²	102	60.1 Å²	60.1	55%	0.545	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.7	25.9	177.8	-67.3	-18	0	0	0	115.5	D277 K303	D275-D277 VanDerWaalsContact C-N 3.31Å; D275-K303 WeakPolarHBondContact OD2-CE 3.4Å; D275-K303 IonicContact OD2-NZ 2.66Å; D275-K303 PolarHBondContact OD2-NZ 2.93Å
276	G	84.8	Confident	83.2	Confident	46 Å²	46	63 Å²	63	47%	0.474	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.1	-9.7	-176.8	0	0	0	0	0	114.2	V274	V274-G276 PolarHBondContact O-N 3.48Å
277	D	91.7	Very high	83	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	133.4	173.8	-66.6	-8	0	0	0	109.9	N273 V274 D275 Y301 S334 T356 L357 S358	N273-D277 CarbonylContact C-O 3.57Å; N273-D277 VanDerWaalsContact CA-O 3.26Å; N273-D277 WeakPolarHBondContact CA-O 3.29Å; N273-D277 PolarHBondContact OD1-O 2.84Å; V274-D277 PolarHBondContact N-O 3.1Å; V274-D277 WeakPolarHBondContact O-CB 3.28Å; V274-D277 PolarHBondContact O-N 3.48Å; D275-D277 VanDerWaalsContact C-N 3.31Å; D277-Y301 HydrophobicContact CB-CE2 3.97Å; D277-Y301 VanDerWaalsContact OD2-CE2 3.29Å; D277-Y301 WeakPolarHBondContact OD2-CE2 3.44Å; D277-Y301 PolarHBondContact OD2-OH 3.3Å; D277-S334 PolarHBondContact OD2-OG 3.45Å; D277-T356 WeakPolarHBondContact CA-O 3.07Å; D277-L357 HydrophobicContact CB-CD2 3.71Å; D277-S358 VanDerWaalsContact OD1-CB 3.26Å; D277-S358 WeakPolarHBondContact OD1-CB 3.34Å; D277-S358 PolarHBondContact OD1-N 3.37Å; D277-S358 PolarHBondContact OD1-OG 3.19Å
278	Y	93.8	Very high	82.6	Confident	82 Å²	82	55.8 Å²	55.8	32%	0.322	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	136.2	-171.3	177.7	-100.1	0	0	0	111.6	H271 M272 N273 N280 F355 T356	H271-Y278 HydrophobicContact CB-CE2 4.01Å; M272-Y278 WeakPolarHBondContact O-CA 3.16Å; N273-Y278 HydrophobicContact CB-CD2 4.23Å; Y278-N280 HydrophobicContact CE1-CB 3.81Å; Y278-N280 WeakPolarHBondContact CE1-ND2 3.2Å; Y278-N280 WeakPolarHBondContact OH-CB 3.26Å; Y278-N280 PolarHBondContact OH-ND2 2.97Å; Y278-F355 CarbonylContact O-C 3.57Å; Y278-F355 WeakPolarHBondContact O-CA 3.4Å; Y278-T356 PolarHBondContact N-O 3.41Å; Y278-T356 PolarHBondContact O-N 2.86Å
279	I	93.7	Very high	81.9	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	138.9	170.6	-175.2	164.7	0	0	0	109.9	H271 M272 F299 I336 V338 I353 F355 F409	H271-I279 CarbonylContact C-O 3.55Å; H271-I279 WeakPolarHBondContact CA-O 3.1Å; H271-I279 WeakPolarHBondContact CB-O 3.31Å; M272-I279 HydrophobicContact CB-CG2 3.86Å; M272-I279 PolarHBondContact N-O 2.04Å; M272-I279 PolarHBondContact O-N 3.02Å; I279-F299 HydrophobicContact CG1-CE1 4.24Å; I279-F299 HydrophobicContact CG2-CD1 3.54Å; I279-F299 HydrophobicContact CG2-CE1 3.81Å; I279-I336 HydrophobicContact CB-CD1 3.75Å; I279-I336 HydrophobicContact CB-CG1 4.38Å; I279-I336 HydrophobicContact CD1-CG1 4.35Å; I279-I336 HydrophobicContact CD1-CG2 4.32Å; I279-I336 HydrophobicContact CG2-CD1 3.39Å; I279-I336 HydrophobicContact CG2-CG1 3.98Å; I279-V338 HydrophobicContact CD1-CB 4.08Å; I279-V338 HydrophobicContact CD1-CG1 3.85Å; I279-I353 HydrophobicContact CD1-CG2 4Å; I279-I353 HydrophobicContact CG1-CG2 4.03Å; I279-F355 HydrophobicContact CB-CB 3.99Å; I279-F355 HydrophobicContact CD1-CB 4.23Å; I279-F355 HydrophobicContact CG1-CB 3.95Å; I279-F409 HydrophobicContact CD1-CD2 4.45Å
280	N	90	Very high	80.8	Confident	18 Å²	18	60.6 Å²	60.6	10%	0.096	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	156.2	172.8	65.8	7.5	0	0	0	111.6	H271 Y278 T354	H271-N280 HydrophobicContact CB-CB 4.02Å; Y278-N280 HydrophobicContact CE1-CB 3.81Å; Y278-N280 WeakPolarHBondContact CE1-ND2 3.2Å; Y278-N280 WeakPolarHBondContact OH-CB 3.26Å; Y278-N280 PolarHBondContact OH-ND2 2.97Å; N280-T354 PolarHBondContact N-O 3.3Å; N280-T354 PolarHBondContact O-N 2.84Å; N280-T354 PolarHBondContact OD1-O 2.79Å; N280-T354 PolarHBondContact OD1-OG1 2.79Å
281	I	88.4	Confident	79.5	Confident	0 Å²	0	63 Å²	63	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	145.3	175.6	66.4	168.5	0	0	0	110.9	P270 P283 V297 F299 V338 I353	P270-I281 HydrophobicContact CB-CD1 4.19Å; P270-I281 HydrophobicContact CB-CG1 3.94Å; P270-I281 HydrophobicContact CG-CD1 4.21Å; P270-I281 HydrophobicContact CG-CG1 4.07Å; P270-I281 PolarHBondContact O-N 3.12Å; I281-P283 WeakPolarHBondContact O-CD 3.32Å; I281-V297 HydrophobicContact CD1-CB 4.35Å; I281-V297 HydrophobicContact CD1-CG1 3.46Å; I281-V297 VanDerWaalsContact CD1-CG1 3.46Å; I281-V297 HydrophobicContact CD1-CG2 3.93Å; I281-V297 HydrophobicContact CG1-CG1 4.5Å; I281-F299 HydrophobicContact CD1-CZ 4.4Å; I281-F299 HydrophobicContact CG1-CZ 4.19Å; I281-F299 HydrophobicContact CG2-CE1 4.25Å; I281-F299 HydrophobicContact CG2-CZ 4.41Å; I281-V338 HydrophobicContact CD1-CG2 4.31Å; I281-V338 HydrophobicContact CG2-CG1 4.23Å; I281-V338 HydrophobicContact CG2-CG2 3.85Å; I281-I353 HydrophobicContact CG2-CD1 4.37Å; I281-I353 HydrophobicContact CG2-CG1 3.91Å; I281-I353 HydrophobicContact CG2-CG2 4.28Å
282	F	81.4	Confident	78.5	Confident	85 Å²	85	66.1 Å²	66.1	37%	0.373	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	82.6	174.9	-61	-80.5	0	0	0	109.2	H269	H269-F282 AromaticContact ND1-CD1 3.76Å; H269-F282 AromaticContact ND1-CE1 3.87Å
283	P	75.3	Confident	77.7	Confident	22 Å²	22	66.3 Å²	66.3	14%	0.143	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	131.4	-178.9	28.6	-31.4	0	0	0	110.3	M265 I281 Y348	M265-P283 HydrophobicContact CE-CB 3.46Å; M265-P283 VanDerWaalsContact CE-CB 3.46Å; M265-P283 HydrophobicContact CE-CG 3.18Å; M265-P283 HydrophobicContact CG-CG 4.32Å; I281-P283 WeakPolarHBondContact O-CD 3.32Å; P283-Y348 HydrophobicContact CB-CD1 4.02Å; P283-Y348 HydrophobicContact CB-CG 4.49Å
284	K	76.2	Confident	77.1	Confident	114 Å²	114	64.5 Å²	64.5	50%	0.496	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	121.6	-178.8	-167.1	175.5	-170.7	169.5	0	109.8	K286 Y348 E349 E351	K284-K286 PolarHBondContact O-N 3.09Å; K284-Y348 WeakPolarHBondContact O-CA 3.44Å; K284-E349 WeakPolarHBondContact CB-O 3.48Å; K284-E349 PolarHBondContact N-O 2.78Å; K284-E349 PolarHBondContact O-N 3.22Å; K284-E351 IonicContact NZ-OE1 3.97Å; K284-E351 PolarHBondContact NZ-OE1 2.91Å
285	R	73.2	Confident	76.8	Confident	88 Å²	88	63.6 Å²	63.6	33%	0.332	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	131.8	178.4	-173.4	175.2	174.5	164.2	-0	110	Y289 S291 Y348	R285-Y289 PolarHBondContact NH2-O 3.35Å; R285-S291 PolarHBondContact NH2-O 3.16Å; R285-Y348 HydrophobicContact CB-CD1 4.13Å; R285-Y348 HydrophobicContact CB-CE1 3.76Å; R285-Y348 HydrophobicContact CG-CE1 4.31Å
286	K	72	Confident	76.9	Confident	72 Å²	72	58.9 Å²	58.9	31%	0.313	33%	0.327	S	S	.	.			trans	-71.6	131.5	174.8	-74.8	-167.7	176	-176.6	0	110.6	K284 A288 Y289 L347 E349	K284-K286 PolarHBondContact O-N 3.09Å; K286-A288 PolarHBondContact O-N 3.2Å; K286-A288 VanDerWaalsContact O-N 3.15Å; K286-Y289 PolarHBondContact O-N 3.43Å; K286-L347 PolarHBondContact N-O 2.99Å; K286-E349 VanDerWaalsContact CE-OE2 3.32Å; K286-E349 WeakPolarHBondContact CE-OE2 3.02Å; K286-E349 HydrophobicContact CG-CB 4.01Å
287	A	61	Low	77.2	Confident	101 Å²	101	56.7 Å²	56.7	84%	0.835	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-18.1	-175.8	0	0	0	0	0	114.4	Y289	A287-Y289 VanDerWaalsContact C-N 3.35Å; A287-Y289 PolarHBondContact O-N 3.14Å
288	A	58.6	Low	77.3	Confident	91 Å²	91	56.7 Å²	56.7	75%	0.752	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-14.5	-176.7	0	0	0	0	0	114.9	K286	K286-A288 PolarHBondContact O-N 3.2Å; K286-A288 VanDerWaalsContact O-N 3.15Å
289	Y	59.2	Low	77.3	Confident	102 Å²	102	52.8 Å²	52.8	40%	0.4	29%	0.29	S	S	.	.			trans	-114.1	103	-174.4	-77.8	-83.6	0	0	0	112.8	R285 K286 A287 S291	R285-Y289 PolarHBondContact NH2-O 3.35Å; K286-Y289 PolarHBondContact O-N 3.43Å; A287-Y289 VanDerWaalsContact C-N 3.35Å; A287-Y289 PolarHBondContact O-N 3.14Å; Y289-S291 VanDerWaalsContact C-N 3.3Å
290	N	56.8	Low	77.4	Confident	154 Å²	154	52.8 Å²	52.8	82%	0.824	29%	0.29	S	S	*	.			trans	-81.4	-2.4	173.1	-77.8	-13.2	0	0	0	114
291	S	60.8	Low	77.7	Confident	51 Å²	51	52.5 Å²	52.5	36%	0.357	29%	0.287	S	S	.	.	S	Bend	trans	-73.6	139.5	179.7	52	0	0	0	0	112.3	R285 Y289	R285-S291 PolarHBondContact NH2-O 3.16Å; Y289-S291 VanDerWaalsContact C-N 3.3Å
292	N	69.7	Low	78	Confident	137 Å²	137	52.5 Å²	52.5	73%	0.733	29%	0.288	S	S	*	.			trans	-64.4	138.4	163.8	-67.2	-11.5	0	0	0	109
293	G	75.4	Confident	78.5	Confident	6 Å²	6	52.5 Å²	52.5	6%	0.062	29%	0.287	C	S	.	.			trans	-151.2	170.3	-179.5	0	0	0	0	0	111.8	S262 N343	S262-G293 WeakPolarHBondContact CA-O 3.41Å; S262-G293 WeakPolarHBondContact CB-O 3.39Å; S262-G293 PolarHBondContact N-O 3.11Å; S262-G293 PolarHBondContact OG-N 3.34Å; S262-G293 PolarHBondContact OG-O 3.2Å; S262-G293 VanDerWaalsContact OG-O 3.07Å; G293-N343 VanDerWaalsContact CA-O 3.25Å; G293-N343 WeakPolarHBondContact CA-O 3.38Å
294	N	80.6	Confident	79.2	Confident	63 Å²	63	51.6 Å²	51.6	34%	0.337	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	146.1	179.9	-63.9	-6.8	0	0	0	109.7	F259 N343	F259-N294 HydrophobicContact CE1-CB 4.42Å; F259-N294 HydrophobicContact CE2-CB 4.05Å; F259-N294 HydrophobicContact CZ-CB 3.66Å; F259-N294 WeakPolarHBondContact CZ-ND2 3.49Å; N294-N343 PolarHBondContact N-O 3.42Å; N294-N343 PolarHBondContact O-N 3.42Å
295	V	85.9	Confident	79.9	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	133.1	175.7	-177.5	0	0	0	0	110.1	F259 I260 M265 V297 M340 S341 Y348	F259-V295 CarbonylContact C-O 3.31Å; F259-V295 WeakPolarHBondContact CA-O 3.24Å; I260-V295 PolarHBondContact N-O 3.38Å; I260-V295 PolarHBondContact O-N 3.15Å; M265-V295 HydrophobicContact CE-CB 4.27Å; M265-V295 HydrophobicContact CE-CG1 3.98Å; M265-V295 HydrophobicContact CE-CG2 4.23Å; M265-V295 HydrophobicContact SD-CB 3.98Å; M265-V295 HydrophobicContact SD-CG1 4.34Å; M265-V295 HydrophobicContact SD-CG2 3.89Å; V295-V297 HydrophobicContact CG1-CG2 3.97Å; V295-M340 HydrophobicContact CG1-CG 3.5Å; V295-M340 HydrophobicContact CG1-SD 3.66Å; V295-S341 WeakPolarHBondContact CA-O 3.42Å; V295-Y348 HydrophobicContact CB-CE2 4.44Å; V295-Y348 HydrophobicContact CG2-CD2 3.47Å; V295-Y348 VanDerWaalsContact CG2-CD2 3.47Å; V295-Y348 HydrophobicContact CG2-CE2 3.11Å
296	A	87.8	Confident	80.5	Confident	3 Å²	3	42 Å²	42	3%	0.025	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	129.8	163.5	0	0	0	0	0	109.5	S237 F258 F259 M340 S341	S237-A296 WeakPolarHBondContact OG-CB 3.13Å; F258-A296 CarbonylContact O-C 3.52Å; F258-A296 WeakPolarHBondContact O-CA 3.38Å; F259-A296 HydrophobicContact CD2-CB 4.33Å; A296-M340 CarbonylContact O-C 3.55Å; A296-M340 VanDerWaalsContact O-CA 3.32Å; A296-M340 WeakPolarHBondContact O-CA 3.44Å; A296-S341 PolarHBondContact N-O 2.98Å; A296-S341 PolarHBondContact O-N 3.35Å
297	V	90.2	Very high	81.1	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	123.9	171.1	-178.4	0	0	0	0	107.4	V257 F258 P270 I281 V295 F299 V338 S339 M340	V257-V297 CarbonylContact C-O 3.55Å; V257-V297 WeakPolarHBondContact CA-O 3.44Å; F258-V297 HydrophobicContact CB-CB 4.37Å; F258-V297 PolarHBondContact N-O 2.87Å; F258-V297 PolarHBondContact O-N 3Å; P270-V297 HydrophobicContact CB-CB 4.37Å; P270-V297 HydrophobicContact CB-CG1 4.12Å; P270-V297 HydrophobicContact CB-CG2 4.5Å; P270-V297 HydrophobicContact CG-CG2 4.23Å; I281-V297 HydrophobicContact CD1-CB 4.35Å; I281-V297 HydrophobicContact CD1-CG1 3.46Å; I281-V297 VanDerWaalsContact CD1-CG1 3.46Å; I281-V297 HydrophobicContact CD1-CG2 3.93Å; I281-V297 HydrophobicContact CG1-CG1 4.5Å; V295-V297 HydrophobicContact CG1-CG2 3.97Å; V297-F299 HydrophobicContact CG1-CD2 4.19Å; V297-F299 HydrophobicContact CG1-CE2 3.54Å; V297-F299 HydrophobicContact CG1-CZ 3.76Å; V297-V338 HydrophobicContact CG1-CG2 3.97Å; V297-S339 WeakPolarHBondContact CA-O 2.93Å; V297-M340 HydrophobicContact CG2-CG 4.1Å; V297-M340 HydrophobicContact CG2-SD 4.3Å
298	A	92.7	Very high	82.3	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.008	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	132.4	177.5	0	0	0	0	0	110.1	T233 L234 V257 V338 S339	T233-A298 HydrophobicContact CG2-CB 3.63Å; L234-A298 HydrophobicContact CD2-CB 4.12Å; V257-A298 HydrophobicContact CG2-CB 4.33Å; A298-V338 WeakPolarHBondContact O-CA 3.39Å; A298-S339 PolarHBondContact N-O 3.01Å; A298-S339 PolarHBondContact O-N 3.38Å
299	F	95	Very high	83.6	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	126.7	172.8	-62.4	-85.8	0	0	0	109	L255 K256 F258 P270 M272 I279 I281 V297 S337 V338	L255-F299 WeakPolarHBondContact CA-O 2.98Å; L255-F299 WeakPolarHBondContact CD1-O 3.31Å; K256-F299 HydrophobicContact CB-CB 4.35Å; K256-F299 PolarHBondContact N-O 2.98Å; K256-F299 PolarHBondContact O-N 3.25Å; F258-F299 HydrophobicContact CD2-CD2 4.06Å; F258-F299 AromaticContact CD2-CE2 3.74Å; F258-F299 HydrophobicContact CD2-CE2 3.74Å; F258-F299 HydrophobicContact CE2-CD2 4.07Å; F258-F299 AromaticContact CE2-CE2 3.79Å; F258-F299 HydrophobicContact CE2-CE2 3.79Å; P270-F299 HydrophobicContact CB-CE2 3.73Å; P270-F299 HydrophobicContact CB-CZ 3.87Å; M272-F299 HydrophobicContact CB-CB 3.88Å; M272-F299 HydrophobicContact CB-CD1 4.22Å; M272-F299 HydrophobicContact CB-CD2 4.37Å; M272-F299 HydrophobicContact CB-CG 3.92Å; M272-F299 HydrophobicContact CE-CB 4.24Å; M272-F299 HydrophobicContact CG-CB 4.32Å; M272-F299 HydrophobicContact SD-CB 3.43Å; M272-F299 WeakPolarHBondContact SD-CB 3.38Å; M272-F299 HydrophobicContact SD-CG 4.44Å; I279-F299 HydrophobicContact CG1-CE1 4.24Å; I279-F299 HydrophobicContact CG2-CD1 3.54Å; I279-F299 HydrophobicContact CG2-CE1 3.81Å; I281-F299 HydrophobicContact CD1-CZ 4.4Å; I281-F299 HydrophobicContact CG1-CZ 4.19Å; I281-F299 HydrophobicContact CG2-CE1 4.25Å; I281-F299 HydrophobicContact CG2-CZ 4.41Å; V297-F299 HydrophobicContact CG1-CD2 4.19Å; V297-F299 HydrophobicContact CG1-CE2 3.54Å; V297-F299 HydrophobicContact CG1-CZ 3.76Å; F299-S337 WeakPolarHBondContact CA-O 3.38Å; F299-V338 HydrophobicContact CD1-CB 3.81Å; F299-V338 HydrophobicContact CD1-CG2 3.82Å; F299-V338 HydrophobicContact CE1-CB 3.84Å; F299-V338 HydrophobicContact CE1-CG2 3.5Å; F299-V338 HydrophobicContact CZ-CG2 4.05Å
300	L	95.6	Very high	84.5	Confident	1 Å²	1	26.1 Å²	26.1	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	135.4	175.1	-73.5	159.9	0	0	0	108.9	V229 E230 I253 A254 L255 Y302 I336 S337	V229-L300 HydrophobicContact CG1-CD1 3.82Å; V229-L300 HydrophobicContact CG1-CD2 3.74Å; V229-L300 HydrophobicContact CG1-CG 4.46Å; E230-L300 HydrophobicContact CB-CD1 4.43Å; I253-L300 HydrophobicContact CD1-CD2 4.32Å; A254-L300 WeakPolarHBondContact O-CA 3Å; L255-L300 HydrophobicContact CB-CD2 4.16Å; L255-L300 HydrophobicContact CD1-CD2 3.54Å; L255-L300 HydrophobicContact CD1-CG 3.97Å; L255-L300 HydrophobicContact CG-CD2 4.37Å; L300-Y302 HydrophobicContact CB-CE2 4.06Å; L300-I336 CarbonylContact O-C 3.43Å; L300-S337 WeakPolarHBondContact CB-OG 3.39Å; L300-S337 PolarHBondContact N-O 3.47Å; L300-S337 PolarHBondContact O-N 2.97Å; L300-S337 PolarHBondContact O-OG 2.86Å
301	Y	96.1	Very high	84.9	Confident	11 Å²	11	22.2 Å²	22.2	4%	0.043	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	130	177.5	169.7	-93.3	0	0	0	109.8	I253 A254 M272 V274 D277 K303 S334 I336	I253-Y301 CarbonylContact C-O 3.53Å; I253-Y301 VanDerWaalsContact CA-O 3.24Å; I253-Y301 WeakPolarHBondContact CA-O 3.35Å; A254-Y301 HydrophobicContact CB-CD1 4.28Å; A254-Y301 PolarHBondContact N-O 3.25Å; A254-Y301 PolarHBondContact O-N 3.08Å; M272-Y301 HydrophobicContact CE-CG 4.17Å; V274-Y301 HydrophobicContact CB-CD1 4.22Å; V274-Y301 HydrophobicContact CB-CE1 4.35Å; V274-Y301 HydrophobicContact CB-CG 4.36Å; V274-Y301 HydrophobicContact CG1-CD1 3.75Å; V274-Y301 HydrophobicContact CG1-CE1 3.68Å; V274-Y301 HydrophobicContact CG1-CG 4.38Å; D277-Y301 HydrophobicContact CB-CE2 3.97Å; D277-Y301 VanDerWaalsContact OD2-CE2 3.29Å; D277-Y301 WeakPolarHBondContact OD2-CE2 3.44Å; D277-Y301 PolarHBondContact OD2-OH 3.3Å; Y301-K303 HydrophobicContact CE1-CB 3.87Å; Y301-K303 HydrophobicContact CE1-CG 4.37Å; Y301-S334 VanDerWaalsContact CE2-CB 3.42Å; Y301-S334 VanDerWaalsContact CE2-OG 3.31Å; Y301-S334 WeakPolarHBondContact CE2-OG 3.29Å; Y301-I336 HydrophobicContact CD2-CB 4.49Å; Y301-I336 HydrophobicContact CD2-CD1 4.27Å; Y301-I336 HydrophobicContact CD2-CG1 4.42Å
302	Y	95.3	Very high	84.7	Confident	1 Å²	1	20.7 Å²	20.7	0%	0.004	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	115	177.5	-57.9	-89.4	0	0	0	109.1	V198 V202 M226 D252 I253 L300 I305 S334 V335	V198-Y302 HydrophobicContact CG1-CE1 4.41Å; V202-Y302 HydrophobicContact CG1-CD1 4.15Å; V202-Y302 HydrophobicContact CG1-CE1 4.32Å; M226-Y302 HydrophobicContact CG-CE2 4.3Å; D252-Y302 CarbonylContact O-C 3.52Å; D252-Y302 WeakPolarHBondContact O-CA 3.35Å; I253-Y302 HydrophobicContact CB-CD1 4.47Å; I253-Y302 HydrophobicContact CD1-CD1 4.21Å; I253-Y302 HydrophobicContact CD1-CE1 3.63Å; I253-Y302 HydrophobicContact CG1-CD1 4.26Å; I253-Y302 HydrophobicContact CG1-CE1 4.15Å; L300-Y302 HydrophobicContact CB-CE2 4.06Å; Y302-I305 VanDerWaalsContact CB-CD1 3.44Å; Y302-I305 HydrophobicContact CD1-CD1 3.9Å; Y302-I305 HydrophobicContact CD1-CG2 4.46Å; Y302-I305 HydrophobicContact CD2-CD1 3.86Å; Y302-I305 HydrophobicContact CG-CD1 3.48Å; Y302-I305 VanDerWaalsContact CG-CD1 3.48Å; Y302-I305 HydrophobicContact CG-CG1 4.16Å; Y302-S334 WeakPolarHBondContact O-CB 3.44Å; Y302-V335 PolarHBondContact N-O 3.15Å; Y302-V335 PolarHBondContact O-N 2.83Å
303	K	92.2	Very high	83.6	Confident	84 Å²	84	19.4 Å²	19.4	37%	0.365	11%	0.11	S	C	.	.	S	Bend	trans	-72.4	-41.8	-171.7	-172.5	169.6	-175	153.9	0	112.9	D252 D275 Y301	D252-K303 HydrophobicContact CB-CB 4.45Å; D252-K303 PolarHBondContact O-N 2.97Å; D275-K303 WeakPolarHBondContact OD2-CE 3.4Å; D275-K303 IonicContact OD2-NZ 2.66Å; D275-K303 PolarHBondContact OD2-NZ 2.93Å; Y301-K303 HydrophobicContact CE1-CB 3.87Å; Y301-K303 HydrophobicContact CE1-CG 4.37Å
304	S	88.8	Confident	82	Confident	3 Å²	3	24.7 Å²	24.7	2%	0.021	14%	0.137	C	C	.	.	S	Bend	trans	-114.5	-13.5	-166	-65.4	0	0	0	0	115.4	R204 F207 D252 G306 P307	R204-S304 PolarHBondContact NH1-OG 2.96Å; R204-S304 VanDerWaalsContact NH1-OG 3.15Å; F207-S304 VanDerWaalsContact CE2-O 3.25Å; F207-S304 WeakPolarHBondContact CE2-O 3.4Å; F207-S304 WeakPolarHBondContact CZ-O 3.38Å; D252-S304 VanDerWaalsContact OD1-CB 3.24Å; D252-S304 WeakPolarHBondContact OD1-CB 3.41Å; D252-S304 PolarHBondContact OD1-OG 2.95Å; S304-G306 VanDerWaalsContact C-N 3.29Å; S304-G306 PolarHBondContact O-N 3.08Å; S304-P307 WeakPolarHBondContact O-CD 3.26Å
305	I	90.8	Very high	80.4	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.133	C	C	.	.			trans	-71.5	-14.8	-169	71.2	174.5	0	0	0	115.4	V202 M226 Y302 P307 L308 L309 V335	V202-I305 HydrophobicContact CB-CG2 3.6Å; V202-I305 HydrophobicContact CG1-CG2 3.74Å; M226-I305 HydrophobicContact CE-CD1 4.39Å; M226-I305 HydrophobicContact CG-CD1 4.33Å; M226-I305 HydrophobicContact SD-CD1 3.72Å; Y302-I305 VanDerWaalsContact CB-CD1 3.44Å; Y302-I305 HydrophobicContact CD1-CD1 3.9Å; Y302-I305 HydrophobicContact CD1-CG2 4.46Å; Y302-I305 HydrophobicContact CD2-CD1 3.86Å; Y302-I305 HydrophobicContact CG-CD1 3.48Å; Y302-I305 VanDerWaalsContact CG-CD1 3.48Å; Y302-I305 HydrophobicContact CG-CG1 4.16Å; I305-P307 VanDerWaalsContact C-CD 3.49Å; I305-L308 WeakPolarHBondContact O-CB 3.05Å; I305-L308 PolarHBondContact O-N 3.21Å; I305-L309 HydrophobicContact CD1-CD1 4.42Å; I305-V335 HydrophobicContact CD1-CB 4.21Å; I305-V335 HydrophobicContact CD1-CG2 4.27Å; I305-V335 HydrophobicContact CG1-CB 4.12Å; I305-V335 HydrophobicContact CG1-CG2 3.83Å
306	G	86.9	Confident	78.5	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.01	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-46.9	-49	-175.1	0	0	0	0	0	114.3	S304 L308 L309 V331	S304-G306 VanDerWaalsContact C-N 3.29Å; S304-G306 PolarHBondContact O-N 3.08Å; G306-L308 VanDerWaalsContact C-N 3.3Å; G306-L308 PolarHBondContact O-N 3.11Å; G306-L309 PolarHBondContact O-N 2.83Å; G306-L309 VanDerWaalsContact O-N 3.15Å; G306-V331 WeakPolarHBondContact O-CB 3.41Å; G306-V331 WeakPolarHBondContact O-CG2 3.08Å
307	P	84	Confident	76	Confident	23 Å²	23	36.8 Å²	36.8	15%	0.149	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-68.3	-20.8	178.7	-19.4	33.6	0	0	0	115.4	S304 I305 L309 S310 F315	S304-P307 WeakPolarHBondContact O-CD 3.26Å; I305-P307 VanDerWaalsContact C-CD 3.49Å; P307-L309 PolarHBondContact O-N 3.38Å; P307-S310 PolarHBondContact O-N 3.33Å; P307-S310 PolarHBondContact O-OG 3.03Å; P307-F315 HydrophobicContact CB-CD2 3.41Å; P307-F315 VanDerWaalsContact CB-CD2 3.41Å; P307-F315 HydrophobicContact CB-CE2 3.08Å; P307-F315 HydrophobicContact CB-CG 4.3Å; P307-F315 HydrophobicContact CB-CZ 3.73Å; P307-F315 HydrophobicContact CG-CD2 4.23Å; P307-F315 HydrophobicContact CG-CE2 3.39Å; P307-F315 HydrophobicContact CG-CZ 3.8Å
308	L	86.8	Confident	73.2	Confident	6 Å²	6	45.8 Å²	45.8	3%	0.031	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-70.7	-21.7	174.5	-62	176.8	0	0	0	111.8	F207 W210 R218 L222 I305 G306	F207-L308 HydrophobicContact CB-CD2 4.38Å; F207-L308 HydrophobicContact CD1-CD1 3.78Å; F207-L308 HydrophobicContact CD1-CD2 4.27Å; F207-L308 HydrophobicContact CD1-CG 4.29Å; F207-L308 HydrophobicContact CD2-CD1 4.46Å; F207-L308 HydrophobicContact CD2-CD2 3.89Å; F207-L308 HydrophobicContact CD2-CG 4.1Å; F207-L308 HydrophobicContact CE1-CD1 3.44Å; F207-L308 VanDerWaalsContact CE1-CD1 3.44Å; F207-L308 HydrophobicContact CE1-CG 4.07Å; F207-L308 HydrophobicContact CE2-CD1 4.16Å; F207-L308 HydrophobicContact CE2-CD2 4.16Å; F207-L308 HydrophobicContact CE2-CG 3.84Å; F207-L308 HydrophobicContact CG-CD1 4.28Å; F207-L308 HydrophobicContact CG-CD2 3.94Å; F207-L308 HydrophobicContact CG-CG 4.31Å; F207-L308 HydrophobicContact CZ-CD1 3.63Å; F207-L308 HydrophobicContact CZ-CD2 4.46Å; F207-L308 HydrophobicContact CZ-CG 3.81Å; W210-L308 HydrophobicContact CB-CD1 4.39Å; W210-L308 HydrophobicContact CB-CD2 3.83Å; W210-L308 HydrophobicContact CG-CD1 4.07Å; W210-L308 HydrophobicContact CG-CD2 4.4Å; R218-L308 PolarHBondContact NE-O 3.19Å; L222-L308 HydrophobicContact CD2-CB 3.59Å; L222-L308 HydrophobicContact CD2-CD1 4.25Å; I305-L308 WeakPolarHBondContact O-CB 3.05Å; I305-L308 PolarHBondContact O-N 3.21Å; G306-L308 VanDerWaalsContact C-N 3.3Å; G306-L308 PolarHBondContact O-N 3.11Å
309	L	86.4	Confident	70.5	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-94.3	-2.5	178.4	-63.9	167.8	0	0	0	113.2	L222 M226 I305 G306 P307 V335 W373 W384	L222-L309 HydrophobicContact CD2-CD1 4.41Å; L222-L309 HydrophobicContact CD2-CD2 3.59Å; L222-L309 HydrophobicContact CD2-CG 3.67Å; L222-L309 HydrophobicContact CG-CD2 4.14Å; M226-L309 HydrophobicContact SD-CD1 4.22Å; I305-L309 HydrophobicContact CD1-CD1 4.42Å; G306-L309 PolarHBondContact O-N 2.83Å; G306-L309 VanDerWaalsContact O-N 3.15Å; P307-L309 PolarHBondContact O-N 3.38Å; L309-V335 HydrophobicContact CD1-CG2 4.3Å; L309-W373 HydrophobicContact CB-CE3 4.49Å; L309-W373 HydrophobicContact CB-CH2 4.27Å; L309-W373 HydrophobicContact CB-CZ3 4.02Å; L309-W373 HydrophobicContact CD2-CD2 4.3Å; L309-W373 HydrophobicContact CD2-CE3 4.37Å; L309-W373 HydrophobicContact CD2-CH2 3.71Å; L309-W373 HydrophobicContact CD2-CZ2 3.62Å; L309-W373 HydrophobicContact CD2-CZ3 4.1Å; L309-W384 HydrophobicContact CB-CZ2 3.82Å; L309-W384 HydrophobicContact CD1-CH2 4.25Å; L309-W384 HydrophobicContact CD1-CZ2 3.69Å; L309-W384 HydrophobicContact CG-CZ2 4.39Å; L309-W384 PolarHBondContact O-NE1 3.15Å
310	S	78	Confident	67.5	Low	4 Å²	4	60.5 Å²	60.5	3%	0.028	32%	0.316	C	S	.	.	S	Bend	trans	-75.8	169	177.2	59.3	0	0	0	0	112.8	R219 P307	R219-S310 PolarHBondContact NH2-O 2.82Å; R219-S310 VanDerWaalsContact NH2-O 3.15Å; P307-S310 PolarHBondContact O-N 3.33Å; P307-S310 PolarHBondContact O-OG 3.03Å
311	S	64.1	Low	64.8	Low	72 Å²	72	68.2 Å²	68.2	50%	0.503	36%	0.358	S	S	.	.	S	Bend	trans	-88.9	-13.5	-176	-146.1	0	0	0	0	116.7	R219	R219-S311 PolarHBondContact NH2-OG 3.37Å; R219-S311 VanDerWaalsContact NH2-OG 3.11Å
312	S	57.1	Low	61.7	Low	18 Å²	18	77.7 Å²	77.7	13%	0.126	40%	0.395	C	S	.	.			trans	-91.9	142.5	-177.3	54.8	0	0	0	0	113.7	E328	S312-E328 WeakPolarHBondContact CB-OE1 3.38Å
313	D	45.5	Very low	58.9	Low	111 Å²	111	85 Å²	85	59%	0.594	43%	0.434	S	S	*	.	S	Bend	trans	-77.1	-14.4	-176.3	-79.4	-34.6	0	0	0	113.9	V215	V215-D313 WeakPolarHBondContact CG2-OD1 3.28Å
314	N	41.7	Very low	56	Low	116 Å²	116	87.7 Å²	87.7	62%	0.62	45%	0.452	S	S	*	.			trans	-119.4	80.9	-171.4	-76.4	-43.9	0	0	0	112.7
315	F	47.6	Very low	53.7	Low	57 Å²	57	92.8 Å²	92.8	25%	0.25	49%	0.488	C	S	.	.	S	Bend	trans	-76.1	-25.8	179.1	177.6	-113	0	0	0	114	F207 P307	F207-F315 HydrophobicContact CD2-CE1 4.04Å; P307-F315 HydrophobicContact CB-CD2 3.41Å; P307-F315 VanDerWaalsContact CB-CD2 3.41Å; P307-F315 HydrophobicContact CB-CE2 3.08Å; P307-F315 HydrophobicContact CB-CG 4.3Å; P307-F315 HydrophobicContact CB-CZ 3.73Å; P307-F315 HydrophobicContact CG-CD2 4.23Å; P307-F315 HydrophobicContact CG-CE2 3.39Å; P307-F315 HydrophobicContact CG-CZ 3.8Å
316	L	45.3	Very low	51.3	Low	134 Å²	134	101 Å²	101	70%	0.702	53%	0.526	S	S	*	.	S	Bend	trans	-96.7	-4.1	-170.8	-68.8	-177.3	0	0	0	116.2
317	L	35.3	Very low	49.5	Very low	130 Å²	130	108 Å²	108	68%	0.681	56%	0.559	S	S	*	*			trans	-94.2	124.4	178.6	-74.2	164.6	0	0	0	111.5
318	K	32	Very low	48.2	Very low	189 Å²	189	111.8 Å²	111.8	82%	0.822	57%	0.574	S	S	*	*			trans	-50.9	152.4	164.2	-75.9	177.2	177.8	175.5	0	109.7	Q320	K318-Q320 PolarHBondContact O-N 3.26Å
319	P	35	Very low	47.1	Very low	134 Å²	134	115.3 Å²	115.3	87%	0.87	59%	0.591	S	S	*	*			trans	-63.6	99.8	-177.8	27.1	-32.8	0	0	0	109.6
320	Q	33.3	Very low	46.8	Very low	175 Å²	175	119 Å²	119	82%	0.818	61%	0.605	S	S	*	*			trans	-93.7	132	159.7	-85.3	-174.5	-18.9	0	0	107.6	K318 Y322	K318-Q320 PolarHBondContact O-N 3.26Å; Q320-Y322 PolarHBondContact O-N 2.58Å
321	N	38.7	Very low	47.2	Very low	164 Å²	164	119 Å²	119	88%	0.877	61%	0.605	S	S	*	*			trans	-46	106.4	175.9	-78.1	-18.7	0	0	0	110.9
322	Y	31	Very low	48.3	Very low	210 Å²	210	116.8 Å²	116.8	82%	0.824	59%	0.587	S	S	*	*			trans	-137.1	103.4	153.3	-113.2	-90.3	0	0	0	107.4	Q320 N324	Q320-Y322 PolarHBondContact O-N 2.58Å; Y322-N324 PolarHBondContact O-N 3.45Å
323	D	37.3	Very low	49.9	Very low	155 Å²	155	116.5 Å²	116.5	83%	0.829	59%	0.585	S	S	*	*			trans	-53.9	113.2	150.8	-90.4	-37.3	0	0	0	106.4
324	N	31.2	Very low	52.2	Low	139 Å²	139	111.5 Å²	111.5	74%	0.743	56%	0.559	S	S	*	*			trans	-174.8	115.8	140.3	-85.2	-24.1	0	0	0	109.4	Y322 E326	Y322-N324 PolarHBondContact O-N 3.45Å; N324-E326 PolarHBondContact O-N 3.22Å
325	S	39.9	Very low	54.7	Low	110 Å²	110	106 Å²	106	77%	0.769	53%	0.529	S	S	*	.			trans	6.4	103.8	151	55.9	0	0	0	0	118.4
326	E	39.8	Very low	57	Low	173 Å²	173	103.3 Å²	103.3	81%	0.808	52%	0.518	S	S	*	.				-162.4	141.9	129.2	-106.2	172.2	-161.9	0	0	107.7	N324 E328	N324-E326 PolarHBondContact O-N 3.22Å; E326-E328 PolarHBondContact O-N 2.97Å
327	E	48.6	Very low	59.3	Low	149 Å²	149	97.2 Å²	97.2	70%	0.696	49%	0.486	S	S	*	.			trans	-67.3	81.1	176.8	-70.9	178.9	159.9	0	0	109.1	E329	E327-E329 PolarHBondContact O-N 3.01Å
328	E	57	Low	62.1	Low	101 Å²	101	91.1 Å²	91.1	47%	0.472	45%	0.454	S	S	.	.			trans	-74.8	98.2	-177.5	-75.7	-165.9	173.1	0	0	111.1	S312 E326 R330	S312-E328 WeakPolarHBondContact CB-OE1 3.38Å; E326-E328 PolarHBondContact O-N 2.97Å; E328-R330 PolarHBondContact O-N 3.22Å; E328-R330 VanDerWaalsContact O-N 3.09Å
329	E	64.3	Low	65	Low	80 Å²	80	82.4 Å²	82.4	37%	0.374	42%	0.417	S	S	.	.			trans	-65.2	103.3	165.4	-76.3	-167.7	172.3	0	0	110.4	E327 L412	E327-E329 PolarHBondContact O-N 3.01Å; E329-L412 HydrophobicContact CB-CD2 3.94Å; E329-L412 HydrophobicContact CG-CD2 4.44Å
330	R	80.1	Confident	67.5	Low	79 Å²	79	77.6 Å²	77.6	30%	0.298	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	126.5	179.3	-171.3	173.9	-177.5	156.3	6.5	111.1	E328 I332 L412 M413	E328-R330 PolarHBondContact O-N 3.22Å; E328-R330 VanDerWaalsContact O-N 3.09Å; R330-I332 PolarHBondContact O-N 2.99Å; R330-L412 CarbonylContact O-C 3.49Å; R330-L412 WeakPolarHBondContact O-CA 3.46Å; R330-M413 PolarHBondContact N-O 2.82Å; R330-M413 PolarHBondContact O-N 2.91Å
331	V	86.6	Confident	70	Confident	4 Å²	4	70.4 Å²	70.4	2%	0.024	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	123.4	172.6	-172.3	0	0	0	0	109.3	G306 W384 A410 L412	G306-V331 WeakPolarHBondContact O-CB 3.41Å; G306-V331 WeakPolarHBondContact O-CG2 3.08Å; V331-W384 HydrophobicContact CG2-CD2 4.45Å; V331-W384 HydrophobicContact CG2-CZ2 3.67Å; V331-W384 VanDerWaalsContact CG2-NE1 3.34Å; V331-A410 HydrophobicContact CG1-CB 3.72Å; V331-L412 HydrophobicContact CG2-CD2 4.5Å; V331-L412 HydrophobicContact CG2-CG 4.18Å
332	I	86.7	Confident	72.2	Confident	24 Å²	24	63.6 Å²	63.6	12%	0.123	32%	0.318	C	S	.	.			trans	-114.7	-8.5	-174.4	55.8	165.3	0	0	0	114.2	R330 H359 I362 I411 M413	R330-I332 PolarHBondContact O-N 2.99Å; I332-H359 HydrophobicContact CB-CB 4.44Å; I332-H359 HydrophobicContact CD1-CB 3.91Å; I332-H359 HydrophobicContact CG1-CB 4.01Å; I332-I362 HydrophobicContact CD1-CD1 3.39Å; I332-I362 HydrophobicContact CD1-CG1 3.75Å; I332-I411 HydrophobicContact CD1-CG2 4.11Å; I332-I411 HydrophobicContact CG1-CB 4.37Å; I332-I411 HydrophobicContact CG1-CG2 4.16Å; I332-I411 VanDerWaalsContact CG1-O 3.3Å; I332-I411 WeakPolarHBondContact CG1-O 3.5Å; I332-I411 PolarHBondContact N-O 3.33Å; I332-M413 HydrophobicContact CD1-CB 4.2Å; I332-M413 HydrophobicContact CG1-CB 4.49Å; I332-M413 HydrophobicContact CG2-CB 3.76Å
333	S	91.1	Very high	74.4	Confident	12 Å²	12	59.3 Å²	59.3	8%	0.084	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-109.2	176.8	175.7	69.8	0	0	0	0	112.3	S358 I411	S333-S358 WeakPolarHBondContact CB-O 3.26Å; S333-I411 PolarHBondContact OG-N 3.36Å
334	S	93.2	Very high	76.4	Confident	7 Å²	7	53.5 Å²	53.5	5%	0.049	28%	0.279	C	S	.	.			trans	-61.4	165.7	158.1	59.5	0	0	0	0	111.3	D277 Y301 Y302	D277-S334 PolarHBondContact OD2-OG 3.45Å; Y301-S334 VanDerWaalsContact CE2-CB 3.42Å; Y301-S334 VanDerWaalsContact CE2-OG 3.31Å; Y301-S334 WeakPolarHBondContact CE2-OG 3.29Å; Y302-S334 WeakPolarHBondContact O-CB 3.44Å
335	V	94.8	Very high	78.3	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	122.3	173.3	-179.1	0	0	0	0	108.6	M226 Y302 I305 L309 W384 H408 F409 A410	M226-V335 HydrophobicContact CE-CG1 4.09Å; Y302-V335 PolarHBondContact N-O 3.15Å; Y302-V335 PolarHBondContact O-N 2.83Å; I305-V335 HydrophobicContact CD1-CB 4.21Å; I305-V335 HydrophobicContact CD1-CG2 4.27Å; I305-V335 HydrophobicContact CG1-CB 4.12Å; I305-V335 HydrophobicContact CG1-CG2 3.83Å; L309-V335 HydrophobicContact CD1-CG2 4.3Å; V335-W384 HydrophobicContact CG2-CH2 4.31Å; V335-H408 HydrophobicContact CG1-CB 3.98Å; V335-F409 WeakPolarHBondContact CA-O 3.43Å; V335-A410 HydrophobicContact CG2-CB 4.28Å
336	I	95.4	Very high	79.7	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	144.5	178.9	-161.8	159.2	0	0	0	110.2	I279 L300 Y301 L357 H408 F409	I279-I336 HydrophobicContact CB-CD1 3.75Å; I279-I336 HydrophobicContact CB-CG1 4.38Å; I279-I336 HydrophobicContact CD1-CG1 4.35Å; I279-I336 HydrophobicContact CD1-CG2 4.32Å; I279-I336 HydrophobicContact CG2-CD1 3.39Å; I279-I336 HydrophobicContact CG2-CG1 3.98Å; L300-I336 CarbonylContact O-C 3.43Å; Y301-I336 HydrophobicContact CD2-CB 4.49Å; Y301-I336 HydrophobicContact CD2-CD1 4.27Å; Y301-I336 HydrophobicContact CD2-CG1 4.42Å; I336-L357 HydrophobicContact CB-CD2 4.16Å; I336-L357 HydrophobicContact CD1-CD2 4.37Å; I336-L357 HydrophobicContact CG2-CD1 4.09Å; I336-L357 HydrophobicContact CG2-CD2 3.87Å; I336-L357 HydrophobicContact CG2-CG 4.39Å; I336-H408 CarbonylContact O-C 3.59Å; I336-F409 HydrophobicContact CG2-CB 4.09Å; I336-F409 PolarHBondContact N-O 3.08Å; I336-F409 PolarHBondContact O-N 3.24Å
337	S	94.9	Very high	81.2	Confident	5 Å²	5	44.3 Å²	44.3	4%	0.035	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	153.3	179.3	58.3	0	0	0	0	112	F299 L300 T407 H408	F299-S337 WeakPolarHBondContact CA-O 3.38Å; L300-S337 WeakPolarHBondContact CB-OG 3.39Å; L300-S337 PolarHBondContact N-O 3.47Å; L300-S337 PolarHBondContact O-N 2.97Å; L300-S337 PolarHBondContact O-OG 2.86Å; S337-T407 WeakPolarHBondContact CA-O 3.49Å; S337-T407 WeakPolarHBondContact CB-O 3.35Å; S337-H408 WeakPolarHBondContact CB-ND1 3.42Å; S337-H408 PolarHBondContact OG-ND1 2.99Å
338	V	93.3	Very high	82.3	Confident	2 Å²	2	38.1 Å²	38.1	1%	0.012	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	134.8	175	56.5	0	0	0	0	108.8	I279 I281 V297 A298 F299 I353 M406 F409	I279-V338 HydrophobicContact CD1-CB 4.08Å; I279-V338 HydrophobicContact CD1-CG1 3.85Å; I281-V338 HydrophobicContact CD1-CG2 4.31Å; I281-V338 HydrophobicContact CG2-CG1 4.23Å; I281-V338 HydrophobicContact CG2-CG2 3.85Å; V297-V338 HydrophobicContact CG1-CG2 3.97Å; A298-V338 WeakPolarHBondContact O-CA 3.39Å; F299-V338 HydrophobicContact CD1-CB 3.81Å; F299-V338 HydrophobicContact CD1-CG2 3.82Å; F299-V338 HydrophobicContact CE1-CB 3.84Å; F299-V338 HydrophobicContact CE1-CG2 3.5Å; F299-V338 HydrophobicContact CZ-CG2 4.05Å; V338-I353 HydrophobicContact CG1-CD1 3.5Å; V338-I353 VanDerWaalsContact CG1-CD1 3.5Å; V338-I353 HydrophobicContact CG1-CG1 4.46Å; V338-I353 HydrophobicContact CG1-CG2 4.35Å; V338-M406 HydrophobicContact CG1-CG 4.26Å; V338-M406 WeakPolarHBondContact O-CB 3.5Å; V338-F409 HydrophobicContact CG1-CE2 4.17Å
339	S	91.8	Very high	82.9	Confident	6 Å²	6	38.6 Å²	38.6	4%	0.042	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	151.8	175.1	66.1	0	0	0	0	110.3	E230 V297 A298	E230-S339 WeakPolarHBondContact CG-OG 3.4Å; E230-S339 WeakPolarHBondContact OE1-CB 3.32Å; V297-S339 WeakPolarHBondContact CA-O 2.93Å; A298-S339 PolarHBondContact N-O 3.01Å; A298-S339 PolarHBondContact O-N 3.38Å
340	M	88.6	Confident	83.1	Confident	34 Å²	34	36.3 Å²	36.3	17%	0.167	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	133.6	-175.9	-175.5	175.8	63.9	0	0	110.5	M265 V295 A296 V297 L350 M406	M265-M340 HydrophobicContact CE-SD 4.33Å; V295-M340 HydrophobicContact CG1-CG 3.5Å; V295-M340 HydrophobicContact CG1-SD 3.66Å; A296-M340 CarbonylContact O-C 3.55Å; A296-M340 VanDerWaalsContact O-CA 3.32Å; A296-M340 WeakPolarHBondContact O-CA 3.44Å; V297-M340 HydrophobicContact CG2-CG 4.1Å; V297-M340 HydrophobicContact CG2-SD 4.3Å; M340-L350 HydrophobicContact CE-CD1 4.43Å; M340-M406 HydrophobicContact CB-CE 4.14Å; M340-M406 HydrophobicContact CB-SD 3.56Å; M340-M406 VanDerWaalsContact CB-SD 3.56Å; M340-M406 HydrophobicContact CE-CE 4.17Å; M340-M406 HydrophobicContact CE-SD 4.47Å
341	S	86.5	Confident	82.6	Confident	24 Å²	24	37.9 Å²	37.9	17%	0.168	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	125.1	170.8	173.4	0	0	0	0	109	Q238 V295 A296	Q238-S341 PolarHBondContact NE2-OG 3.08Å; V295-S341 WeakPolarHBondContact CA-O 3.42Å; A296-S341 PolarHBondContact N-O 2.98Å; A296-S341 PolarHBondContact O-N 3.35Å
342	S	83.4	Confident	82.2	Confident	21 Å²	21	41.7 Å²	41.7	15%	0.147	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	142.5	175.5	53.8	0	0	0	0	110.7	P344 P345	S342-P344 CarbonylContact C-O 3.46Å; S342-P344 CarbonylContact O-C 3.58Å; S342-P344 VanDerWaalsContact O-C 3.31Å; S342-P344 PolarHBondContact OG-O 2.83Å; S342-P345 WeakPolarHBondContact O-CA 3.34Å
343	N	78.8	Confident	82.3	Confident	119 Å²	119	40.5 Å²	40.5	64%	0.636	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.5	108.6	170.4	-173.4	11.9	0	0	0	108.3	G293 N294	G293-N343 VanDerWaalsContact CA-O 3.25Å; G293-N343 WeakPolarHBondContact CA-O 3.38Å; N294-N343 PolarHBondContact N-O 3.42Å; N294-N343 PolarHBondContact O-N 3.42Å
344	P	79.4	Confident	82.3	Confident	33 Å²	33	42.1 Å²	42.1	21%	0.214	22%	0.223	C	C	.	.	S	Bend	cis	-71.6	152.1	4.2	28.6	-36.7	0	0	0	115.3	S342 M346 L347	S342-P344 CarbonylContact C-O 3.46Å; S342-P344 CarbonylContact O-C 3.58Å; S342-P344 VanDerWaalsContact O-C 3.31Å; S342-P344 PolarHBondContact OG-O 2.83Å; P344-M346 PolarHBondContact O-N 2.98Å; P344-L347 HydrophobicContact CG-CD1 3.88Å; P344-L347 PolarHBondContact O-N 3.37Å
345	P	71	Confident	82.3	Confident	101 Å²	101	41.8 Å²	41.8	66%	0.656	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	117.6	177.7	28.6	-31.6	0	0	0	109.2	S342	S342-P345 WeakPolarHBondContact O-CA 3.34Å
346	M	69.2	Low	82.3	Confident	128 Å²	128	43.6 Å²	43.6	63%	0.631	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	105.9	9.1	-171	-62	-168.3	170.8	0	0	116.2	P344 Y348	P344-M346 PolarHBondContact O-N 2.98Å; M346-Y348 PolarHBondContact O-N 3.03Å
347	L	69.9	Low	82.2	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.232	C	C	.	.	S	Bend	trans	-60.8	-29.3	174.1	-158.7	86.1	0	0	0	112.9	K286 P344	K286-L347 PolarHBondContact N-O 2.99Å; P344-L347 HydrophobicContact CG-CD1 3.88Å; P344-L347 PolarHBondContact O-N 3.37Å
348	Y	72.3	Confident	82.1	Confident	19 Å²	19	45.2 Å²	45.2	8%	0.075	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	142.5	-176.3	-69	-87.2	0	0	0	112.7	S262 M265 P283 K284 R285 V295 M346	S262-Y348 WeakPolarHBondContact CA-OH 3.24Å; M265-Y348 HydrophobicContact CB-CE1 4.32Å; M265-Y348 WeakPolarHBondContact CB-OH 3.39Å; M265-Y348 HydrophobicContact CE-CD1 3.83Å; M265-Y348 HydrophobicContact CE-CD2 4.18Å; M265-Y348 HydrophobicContact CE-CE1 3.68Å; M265-Y348 HydrophobicContact CE-CE2 4.05Å; M265-Y348 HydrophobicContact CE-CG 4.09Å; M265-Y348 HydrophobicContact CG-CE1 3.9Å; M265-Y348 HydrophobicContact SD-CD1 4.39Å; M265-Y348 HydrophobicContact SD-CD2 4.48Å; M265-Y348 HydrophobicContact SD-CE1 3.66Å; M265-Y348 HydrophobicContact SD-CE2 3.77Å; M265-Y348 PolarHBondContact SD-OH 2.97Å; P283-Y348 HydrophobicContact CB-CD1 4.02Å; P283-Y348 HydrophobicContact CB-CG 4.49Å; K284-Y348 WeakPolarHBondContact O-CA 3.44Å; R285-Y348 HydrophobicContact CB-CD1 4.13Å; R285-Y348 HydrophobicContact CB-CE1 3.76Å; R285-Y348 HydrophobicContact CG-CE1 4.31Å; V295-Y348 HydrophobicContact CB-CE2 4.44Å; V295-Y348 HydrophobicContact CG2-CD2 3.47Å; V295-Y348 VanDerWaalsContact CG2-CD2 3.47Å; V295-Y348 HydrophobicContact CG2-CE2 3.11Å; M346-Y348 PolarHBondContact O-N 3.03Å
349	E	69.6	Low	81.8	Confident	111 Å²	111	45.9 Å²	45.9	52%	0.519	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	138.5	167.1	-167.4	167.6	174.2	0	0	108.9	K284 K286	K284-E349 WeakPolarHBondContact CB-O 3.48Å; K284-E349 PolarHBondContact N-O 2.78Å; K284-E349 PolarHBondContact O-N 3.22Å; K286-E349 VanDerWaalsContact CE-OE2 3.32Å; K286-E349 WeakPolarHBondContact CE-OE2 3.02Å; K286-E349 HydrophobicContact CG-CB 4.01Å
350	L	69.4	Low	81.2	Confident	32 Å²	32	53.1 Å²	53.1	17%	0.168	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	123.7	-179.9	-146.9	82.6	0	0	0	108.6	M340 I353 M406	M340-L350 HydrophobicContact CE-CD1 4.43Å; L350-I353 HydrophobicContact CD2-CD1 3.44Å; L350-I353 VanDerWaalsContact CD2-CD1 3.44Å; L350-I353 HydrophobicContact CD2-CG1 3.53Å; L350-I353 HydrophobicContact CG-CG1 4.36Å; L350-M406 HydrophobicContact CD1-CE 4.32Å; L350-M406 HydrophobicContact CD1-CG 4.4Å; L350-M406 HydrophobicContact CD1-SD 3.98Å; L350-M406 HydrophobicContact CD2-CE 4.49Å; L350-M406 HydrophobicContact CD2-CG 3.7Å; L350-M406 HydrophobicContact CD2-SD 4.31Å
351	E	68.2	Low	80.6	Confident	112 Å²	112	58.3 Å²	58.3	52%	0.523	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	-67.1	-179.3	-155.1	158.9	-137.5	0	0	109.8	K284	K284-E351 IonicContact NZ-OE1 3.97Å; K284-E351 PolarHBondContact NZ-OE1 2.91Å
352	K	77.9	Confident	79.6	Confident	84 Å²	84	58.1 Å²	58.1	37%	0.365	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	144.9	167	-62.1	-167.5	177	-165.2	0	110.5	E390 R402	K352-E390 IonicContact NZ-OE1 2.59Å; K352-E390 IonicContact NZ-OE2 3.14Å; K352-R402 HydrophobicContact CB-CG 3.77Å; K352-R402 VanDerWaalsContact CD-CD 3.47Å; K352-R402 HydrophobicContact CD-CG 3.79Å; K352-R402 HydrophobicContact CG-CG 4.29Å
353	I	88.6	Confident	78.6	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	133.5	172.4	-63.7	171.7	0	0	0	108.3	I279 I281 V338 L350 F355 R402 C403 H405 M406 F409	I279-I353 HydrophobicContact CD1-CG2 4Å; I279-I353 HydrophobicContact CG1-CG2 4.03Å; I281-I353 HydrophobicContact CG2-CD1 4.37Å; I281-I353 HydrophobicContact CG2-CG1 3.91Å; I281-I353 HydrophobicContact CG2-CG2 4.28Å; V338-I353 HydrophobicContact CG1-CD1 3.5Å; V338-I353 VanDerWaalsContact CG1-CD1 3.5Å; V338-I353 HydrophobicContact CG1-CG1 4.46Å; V338-I353 HydrophobicContact CG1-CG2 4.35Å; L350-I353 HydrophobicContact CD2-CD1 3.44Å; L350-I353 VanDerWaalsContact CD2-CD1 3.44Å; L350-I353 HydrophobicContact CD2-CG1 3.53Å; L350-I353 HydrophobicContact CG-CG1 4.36Å; I353-F355 HydrophobicContact CG2-CD1 4.46Å; I353-R402 CarbonylContact O-C 3.59Å; I353-R402 VanDerWaalsContact O-CA 3.23Å; I353-R402 WeakPolarHBondContact O-CA 3.38Å; I353-C403 PolarHBondContact N-O 2.98Å; I353-C403 PolarHBondContact O-N 3.08Å; I353-H405 WeakPolarHBondContact CD1-O 3.44Å; I353-M406 HydrophobicContact CD1-CB 4.45Å; I353-M406 HydrophobicContact CD1-CG 3.64Å; I353-F409 HydrophobicContact CD1-CE2 4.43Å; I353-F409 HydrophobicContact CD1-CZ 4.4Å; I353-F409 HydrophobicContact CG2-CE2 4.48Å
354	T	91.5	Very high	77.6	Confident	45 Å²	45	62.6 Å²	62.6	28%	0.276	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	132.1	171.4	39.5	0	0	0	0	110.7	N280 C401 R402	N280-T354 PolarHBondContact N-O 3.3Å; N280-T354 PolarHBondContact O-N 2.84Å; N280-T354 PolarHBondContact OD1-O 2.79Å; N280-T354 PolarHBondContact OD1-OG1 2.79Å; T354-C401 WeakPolarHBondContact CA-O 3.46Å; T354-R402 HydrophobicContact CG2-CB 3.97Å; T354-R402 HydrophobicContact CG2-CG 3.8Å
355	F	94.3	Very high	76.4	Confident	1 Å²	1	69.6 Å²	69.6	0%	0.004	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	150.2	176.2	64.2	-96.6	0	0	0	111	Y278 I279 I353 L357 S400 C401 F409 I411	Y278-F355 CarbonylContact O-C 3.57Å; Y278-F355 WeakPolarHBondContact O-CA 3.4Å; I279-F355 HydrophobicContact CB-CB 3.99Å; I279-F355 HydrophobicContact CD1-CB 4.23Å; I279-F355 HydrophobicContact CG1-CB 3.95Å; I353-F355 HydrophobicContact CG2-CD1 4.46Å; F355-L357 HydrophobicContact CD2-CD1 4.12Å; F355-L357 HydrophobicContact CD2-CG 3.93Å; F355-L357 HydrophobicContact CE2-CD1 4.1Å; F355-L357 HydrophobicContact CE2-CG 4.34Å; F355-S400 CarbonylContact O-C 3.59Å; F355-S400 VanDerWaalsContact O-CA 3.28Å; F355-S400 WeakPolarHBondContact O-CA 3.12Å; F355-C401 HydrophobicContact CD1-CB 4.29Å; F355-C401 HydrophobicContact CD2-CB 4.08Å; F355-C401 HydrophobicContact CE1-CB 3.74Å; F355-C401 HydrophobicContact CE2-CB 3.51Å; F355-C401 HydrophobicContact CG-CB 4.45Å; F355-C401 HydrophobicContact CZ-CB 3.31Å; F355-C401 PolarHBondContact N-O 3.48Å; F355-C401 VanDerWaalsContact N-O 3.08Å; F355-C401 PolarHBondContact O-N 3.35Å; F355-F409 HydrophobicContact CD1-CB 4.29Å; F355-F409 HydrophobicContact CD1-CD1 4.46Å; F355-F409 HydrophobicContact CD1-CD2 4.11Å; F355-F409 HydrophobicContact CD1-CG 4.03Å; F355-F409 HydrophobicContact CE1-CB 3.67Å; F355-F409 AromaticContact CE1-CD1 3.55Å; F355-F409 HydrophobicContact CE1-CD1 3.55Å; F355-F409 AromaticContact CE1-CD2 3.96Å; F355-F409 HydrophobicContact CE1-CD2 3.96Å; F355-F409 HydrophobicContact CE1-CE1 4.16Å; F355-F409 AromaticContact CE1-CG 3.43Å; F355-F409 HydrophobicContact CE1-CG 3.43Å; F355-F409 VanDerWaalsContact CE1-CG 3.43Å; F355-F409 HydrophobicContact CE2-CB 4.03Å; F355-F409 HydrophobicContact CZ-CB 3.51Å; F355-F409 AromaticContact CZ-CD1 3.94Å; F355-F409 HydrophobicContact CZ-CD1 3.94Å; F355-F409 AromaticContact CZ-CG 3.8Å; F355-F409 HydrophobicContact CZ-CG 3.8Å; F355-I411 HydrophobicContact CE2-CD1 3.98Å
356	T	94.3	Very high	76.2	Confident	38 Å²	38	69.3 Å²	69.3	23%	0.233	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	120.9	175.3	-59	0	0	0	0	107.8	D277 Y278 H398 T399 S400	D277-T356 WeakPolarHBondContact CA-O 3.07Å; Y278-T356 PolarHBondContact N-O 3.41Å; Y278-T356 PolarHBondContact O-N 2.86Å; T356-H398 HydrophobicContact CG2-CB 4.31Å; T356-T399 WeakPolarHBondContact CA-O 3.47Å; T356-S400 WeakPolarHBondContact CG2-OG 3.25Å; T356-S400 PolarHBondContact OG1-OG 3.02Å
357	L	94.3	Very high	76.3	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	135.9	177.8	-61.7	179.2	0	0	0	110	D277 I336 F355 H398 T399 I411	D277-L357 HydrophobicContact CB-CD2 3.71Å; I336-L357 HydrophobicContact CB-CD2 4.16Å; I336-L357 HydrophobicContact CD1-CD2 4.37Å; I336-L357 HydrophobicContact CG2-CD1 4.09Å; I336-L357 HydrophobicContact CG2-CD2 3.87Å; I336-L357 HydrophobicContact CG2-CG 4.39Å; F355-L357 HydrophobicContact CD2-CD1 4.12Å; F355-L357 HydrophobicContact CD2-CG 3.93Å; F355-L357 HydrophobicContact CE2-CD1 4.1Å; F355-L357 HydrophobicContact CE2-CG 4.34Å; L357-H398 WeakPolarHBondContact O-CA 3.49Å; L357-T399 PolarHBondContact N-O 2.97Å; L357-T399 PolarHBondContact O-N 3.47Å; L357-I411 HydrophobicContact CB-CG1 3.96Å; L357-I411 HydrophobicContact CD1-CG1 4.16Å
358	S	91.4	Very high	77.1	Confident	39 Å²	39	70.9 Å²	70.9	27%	0.273	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	142.6	165.3	66.1	0	0	0	0	109.8	D277 S333 T397	D277-S358 VanDerWaalsContact OD1-CB 3.26Å; D277-S358 WeakPolarHBondContact OD1-CB 3.34Å; D277-S358 PolarHBondContact OD1-N 3.37Å; D277-S358 PolarHBondContact OD1-OG 3.19Å; S333-S358 WeakPolarHBondContact CB-O 3.26Å; S358-T397 CarbonylContact C-O 3.57Å; S358-T397 VanDerWaalsContact CA-O 3.28Å; S358-T397 WeakPolarHBondContact CA-O 3.2Å
359	H	86.4	Confident	77.8	Confident	17 Å²	17	72.4 Å²	72.4	8%	0.079	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-143.3	163.8	-180	58.7	77.2	0	0	0	110.7	I332 I362 E396 T397 H398 T399	I332-H359 HydrophobicContact CB-CB 4.44Å; I332-H359 HydrophobicContact CD1-CB 3.91Å; I332-H359 HydrophobicContact CG1-CB 4.01Å; H359-I362 VanDerWaalsContact CE1-CD1 3.42Å; H359-I362 WeakPolarHBondContact CE1-CD1 3.48Å; H359-E396 PolarHBondContact CE1-O 3.19Å; H359-T397 PolarHBondContact N-O 3.12Å; H359-H398 VanDerWaalsContact NE2-C 3.33Å; H359-H398 PolarHBondContact NE2-N 2.91Å; H359-T399 PolarHBondContact CD2-OG1 3.36Å; H359-T399 VanDerWaalsContact CD2-OG1 3.3Å; H359-T399 PolarHBondContact NE2-OG1 3.19Å
360	R	80.4	Confident	78.8	Confident	157 Å²	157	67.4 Å²	67.4	59%	0.592	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-58.8	145.7	173.8	-66.6	-174.8	-178.5	-173.5	-0.1	110.2	I362	R360-I362 WeakPolarHBondContact O-CG1 3.21Å; R360-I362 PolarHBondContact O-N 3.07Å; R360-I362 VanDerWaalsContact O-N 3.12Å
361	K	75.3	Confident	79.9	Confident	143 Å²	143	65.9 Å²	65.9	62%	0.622	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-55	118.9	179.3	-176.6	166.6	173.5	147.1	0	110.1	E396	K361-E396 WeakPolarHBondContact CA-O 3.43Å; K361-E396 VanDerWaalsContact CE-OE2 3.22Å; K361-E396 WeakPolarHBondContact CE-OE2 3.32Å; K361-E396 IonicContact NZ-OE1 3.31Å; K361-E396 PolarHBondContact NZ-OE1 3.34Å; K361-E396 IonicContact NZ-OE2 2.92Å; K361-E396 PolarHBondContact NZ-OE2 3.1Å
362	I	66.1	Low	81.1	Confident	20 Å²	20	61.2 Å²	61.2	10%	0.103	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-87.6	137.2	179.8	-52.5	178.3	0	0	0	108	I332 H359 R360 Y366 M413	I332-I362 HydrophobicContact CD1-CD1 3.39Å; I332-I362 HydrophobicContact CD1-CG1 3.75Å; H359-I362 VanDerWaalsContact CE1-CD1 3.42Å; H359-I362 WeakPolarHBondContact CE1-CD1 3.48Å; R360-I362 WeakPolarHBondContact O-CG1 3.21Å; R360-I362 PolarHBondContact O-N 3.07Å; R360-I362 VanDerWaalsContact O-N 3.12Å; I362-Y366 WeakPolarHBondContact CG2-O 3.47Å; I362-M413 HydrophobicContact CG2-SD 4.41Å
363	T	62	Low	81.8	Confident	85 Å²	85	57.4 Å²	57.4	52%	0.521	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-82.1	149.5	169.8	57.8	0	0	0	0	109.4	R365 Y366	T363-R365 PolarHBondContact O-N 2.61Å; T363-Y366 PolarHBondContact O-N 3.36Å; T363-Y366 WeakPolarHBondContact OG1-CD2 3.35Å
364	D	58.2	Low	82	Confident	150 Å²	150	61 Å²	61	80%	0.802	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-12.5	-175.8	-66.1	-29.6	0	0	0	115.9
365	R	54.1	Low	82	Confident	180 Å²	180	60.8 Å²	60.8	68%	0.679	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-21.7	175.9	-65.2	-169.2	-171.9	-172.3	5.9	114.1	T363	T363-R365 PolarHBondContact O-N 2.61Å
366	Y	66.4	Low	81.8	Confident	95 Å²	95	63 Å²	63	37%	0.373	30%	0.3	S	S	.	.	S	Bend	trans	-115.9	145.7	-174	-56.4	-83	0	0	0	111.6	I362 T363 M413	I362-Y366 WeakPolarHBondContact CG2-O 3.47Å; T363-Y366 PolarHBondContact O-N 3.36Å; T363-Y366 WeakPolarHBondContact OG1-CD2 3.35Å; Y366-M413 HydrophobicContact CD1-CE 3.96Å; Y366-M413 HydrophobicContact CD1-CG 3.88Å; Y366-M413 HydrophobicContact CD1-SD 3.98Å; Y366-M413 HydrophobicContact CD2-CE 4.28Å; Y366-M413 HydrophobicContact CD2-CG 4.49Å; Y366-M413 HydrophobicContact CD2-SD 3.75Å; Y366-M413 HydrophobicContact CE1-CE 4.06Å; Y366-M413 HydrophobicContact CE2-CE 4.37Å; Y366-M413 HydrophobicContact CE2-SD 4.37Å; Y366-M413 HydrophobicContact CG-CE 4.08Å; Y366-M413 HydrophobicContact CG-CG 3.68Å; Y366-M413 HydrophobicContact CG-SD 3.53Å; Y366-M413 VanDerWaalsContact CG-SD 3.53Å
367	K	72.7	Confident	81.5	Confident	144 Å²	144	64.5 Å²	64.5	63%	0.626	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.8	142.9	175.6	-68.2	179.9	-178.4	170.2	0	110.3	S414	K367-S414 PolarHBondContact N-O 3.1Å; K367-S414 PolarHBondContact O-N 3.24Å; K367-S414 VanDerWaalsContact O-N 3.17Å
368	S	85.6	Confident	81.1	Confident	17 Å²	17	71.8 Å²	71.8	12%	0.119	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	130.1	167.3	49.4	0	0	0	0	109.7	S394 T399 L412	S368-S394 PolarHBondContact OG-OG 3.2Å; S368-T399 WeakPolarHBondContact CB-OG1 3.43Å; S368-L412 WeakPolarHBondContact CA-O 3.46Å
369	L	87.4	Confident	80.7	Confident	51 Å²	51	74.3 Å²	74.3	27%	0.267	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	128.3	176.2	-169.9	93.1	0	0	0	108.7	A371 I411 L412	L369-A371 HydrophobicContact CD2-CB 4.35Å; L369-I411 WeakPolarHBondContact O-CA 3.3Å; L369-L412 HydrophobicContact CB-CB 4.34Å; L369-L412 PolarHBondContact N-O 3.01Å; L369-L412 PolarHBondContact O-N 2.04Å
370	C	91.1	Very high	80.9	Confident	6 Å²	6	74.7 Å²	74.7	4%	0.041	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	119.9	168.7	-58.6	0	0	0	0	108.9	S386 C389 L391 C401	C370-S386 WeakPolarHBondContact O-CB 3.43Å; C370-C389 HydrophobicContact CB-CB 4.14Å; C370-L391 VanDerWaalsContact SG-CD1 3.58Å; C370-C401 HydrophobicContact CB-CB 3.65Å; C370-C401 WeakPolarHBondContact CB-SG 3.43Å; C370-C401 WeakPolarHBondContact SG-CB 3.42Å; C370-C401 CovalentContact SG-SG 2.01Å; C370-C401 PolarHBondContact SG-SG 2.98Å
371	A	91.9	Very high	81.2	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	167.8	177	0	0	0	0	0	112.5	L369 W384 S385 F409 A410 L412	L369-A371 HydrophobicContact CD2-CB 4.35Å; A371-W384 HydrophobicContact CB-CB 4.47Å; A371-W384 HydrophobicContact CB-CE3 4.12Å; A371-S385 CarbonylContact C-O 3.6Å; A371-S385 WeakPolarHBondContact CA-O 3.38Å; A371-S385 VanDerWaalsContact CB-O 3.26Å; A371-S385 WeakPolarHBondContact CB-O 3.45Å; A371-F409 WeakPolarHBondContact O-CA 3.43Å; A371-A410 PolarHBondContact N-O 3.23Å; A371-A410 VanDerWaalsContact N-O 3.08Å; A371-A410 PolarHBondContact O-N 2.77Å; A371-A410 VanDerWaalsContact O-O 3.09Å; A371-L412 HydrophobicContact CB-CD1 3.33Å
372	F	93.3	Very high	81.6	Confident	14 Å²	14	64.7 Å²	64.7	6%	0.061	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	155.4	172.8	71.9	-79.6	0	0	0	111.5	N374 W384 S385 E387 H405 T407 H408 F409	F372-N374 HydrophobicContact CD2-CB 4.24Å; F372-N374 HydrophobicContact CE2-CB 3.62Å; F372-N374 HydrophobicContact CZ-CB 4.16Å; F372-N374 PolarHBondContact O-N 2.9Å; F372-W384 WeakPolarHBondContact O-CA 3.49Å; F372-S385 WeakPolarHBondContact CD1-O 3.45Å; F372-S385 WeakPolarHBondContact CE1-O 3.43Å; F372-S385 PolarHBondContact N-O 3.34Å; F372-S385 PolarHBondContact O-N 3.49Å; F372-E387 HydrophobicContact CE1-CB 4.22Å; F372-E387 WeakPolarHBondContact CE1-O 3.25Å; F372-H405 AromaticContact CD1-CE1 3.3Å; F372-H405 WeakPolarHBondContact CD1-CE1 3.49Å; F372-H405 AromaticContact CD1-NE2 3.34Å; F372-H405 VanDerWaalsContact CD1-NE2 3.34Å; F372-H405 WeakPolarHBondContact CD1-NE2 3.29Å; F372-H405 AromaticContact CD2-CE1 3.63Å; F372-H405 AromaticContact CE1-CE1 3.77Å; F372-H405 AromaticContact CE1-NE2 3.35Å; F372-H405 VanDerWaalsContact CE1-NE2 3.35Å; F372-H405 WeakPolarHBondContact CE1-NE2 3.28Å; F372-H405 AromaticContact CG-CE1 3.24Å; F372-H405 WeakPolarHBondContact CG-CE1 3.46Å; F372-H405 AromaticContact CG-NE2 3.75Å; F372-H405 AromaticContact CZ-NE2 3.71Å; F372-T407 WeakPolarHBondContact CB-OG1 3.31Å; F372-T407 HydrophobicContact CD2-CG2 3.84Å; F372-T407 HydrophobicContact CE2-CG2 4.38Å; F372-H408 CarbonylContact C-O 3.25Å; F372-H408 WeakPolarHBondContact CA-O 3.37Å; F372-H408 WeakPolarHBondContact CB-O 3.26Å; F372-F409 HydrophobicContact CB-CD1 3.77Å; F372-F409 HydrophobicContact CB-CE1 3.96Å
373	W	93.2	Very high	82.7	Confident	3 Å²	3	67.5 Å²	67.5	1%	0.011	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	103.6	175.8	-167.1	-112.1	0	0	0	109.2	R219 T223 L309 Y375 G382 W384 H408	R219-W373 HydrophobicContact CB-CZ2 4.38Å; R219-W373 HydrophobicContact CG-CH2 4.08Å; R219-W373 HydrophobicContact CG-CZ2 4.38Å; T223-W373 PolarHBondContact OG1-NE1 3.44Å; L309-W373 HydrophobicContact CB-CE3 4.49Å; L309-W373 HydrophobicContact CB-CH2 4.27Å; L309-W373 HydrophobicContact CB-CZ3 4.02Å; L309-W373 HydrophobicContact CD2-CD2 4.3Å; L309-W373 HydrophobicContact CD2-CE3 4.37Å; L309-W373 HydrophobicContact CD2-CH2 3.71Å; L309-W373 HydrophobicContact CD2-CZ2 3.62Å; L309-W373 HydrophobicContact CD2-CZ3 4.1Å; W373-Y375 AromaticContact CD1-CD1 3.61Å; W373-G382 VanDerWaalsContact CH2-O 3.31Å; W373-G382 WeakPolarHBondContact CH2-O 3.3Å; W373-G382 VanDerWaalsContact CZ2-C 3.44Å; W373-G382 WeakPolarHBondContact CZ2-O 3.4Å; W373-W384 HydrophobicContact CB-CE3 4.35Å; W373-W384 HydrophobicContact CB-CH2 4.24Å; W373-W384 HydrophobicContact CB-CZ3 3.99Å; W373-W384 AromaticContact CE3-CD1 3.88Å; W373-W384 AromaticContact CE3-CD2 3.56Å; W373-W384 HydrophobicContact CE3-CD2 3.56Å; W373-W384 AromaticContact CE3-CE2 3.38Å; W373-W384 HydrophobicContact CE3-CE3 4.1Å; W373-W384 AromaticContact CE3-CG 3.87Å; W373-W384 HydrophobicContact CE3-CG 3.87Å; W373-W384 HydrophobicContact CE3-CH2 4.26Å; W373-W384 AromaticContact CE3-CZ2 3.77Å; W373-W384 HydrophobicContact CE3-CZ2 3.77Å; W373-W384 HydrophobicContact CE3-CZ3 4.42Å; W373-W384 AromaticContact CE3-NE1 3.59Å; W373-W384 AromaticContact CZ3-CD1 3.55Å; W373-W384 HydrophobicContact CZ3-CD2 4.05Å; W373-W384 AromaticContact CZ3-CE2 3.67Å; W373-W384 AromaticContact CZ3-CG 3.97Å; W373-W384 HydrophobicContact CZ3-CG 3.97Å; W373-W384 HydrophobicContact CZ3-CZ2 4.29Å; W373-W384 AromaticContact CZ3-NE1 3.33Å; W373-W384 VanDerWaalsContact CZ3-NE1 3.33Å; W373-H408 HydrophobicContact CB-CB 4.13Å; W373-H408 PolarHBondContact N-O 2.63Å
374	N	91.9	Very high	84	Confident	75 Å²	75	64.7 Å²	64.7	40%	0.401	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	117.6	175.8	-175	10.5	0	0	0	109.1	F372 G382 T383	F372-N374 HydrophobicContact CD2-CB 4.24Å; F372-N374 HydrophobicContact CE2-CB 3.62Å; F372-N374 HydrophobicContact CZ-CB 4.16Å; F372-N374 PolarHBondContact O-N 2.9Å; N374-G382 CarbonylContact O-C 3.55Å; N374-G382 WeakPolarHBondContact O-CA 3.39Å; N374-T383 WeakPolarHBondContact CB-O 3.33Å; N374-T383 PolarHBondContact N-O 2.99Å; N374-T383 PolarHBondContact O-N 3.29Å
375	Y	92.5	Very high	85.4	Confident	41 Å²	41	58.9 Å²	58.9	16%	0.161	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	152.4	180	70.4	-84.6	0	0	0	111.9	T223 H227 W373 M380 N381	T223-Y375 HydrophobicContact CG2-CD1 4.07Å; T223-Y375 HydrophobicContact CG2-CD2 3.52Å; T223-Y375 HydrophobicContact CG2-CE2 4.1Å; T223-Y375 HydrophobicContact CG2-CG 3.5Å; T223-Y375 VanDerWaalsContact CG2-CG 3.5Å; H227-Y375 HydrophobicContact CB-CE2 4.13Å; H227-Y375 AromaticContact ND1-CE2 3.68Å; H227-Y375 AromaticContact ND1-CZ 3.76Å; H227-Y375 PolarHBondContact ND1-OH 3.5Å; W373-Y375 AromaticContact CD1-CD1 3.61Å; Y375-M380 HydrophobicContact CD2-SD 4.45Å; Y375-M380 HydrophobicContact CE2-SD 4.38Å; Y375-N381 VanDerWaalsContact CA-O 3.27Å; Y375-N381 WeakPolarHBondContact CA-O 3.38Å; Y375-N381 WeakPolarHBondContact CB-O 3.27Å
376	S	90	Very high	87	Confident	49 Å²	49	53 Å²	53	34%	0.343	29%	0.287	S	S	.	.			trans	-88.9	125.9	172	179.2	0	0	0	0	110.4	D378 T379 M380 N381	S376-D378 PolarHBondContact O-N 3.41Å; S376-D378 VanDerWaalsContact O-N 3.17Å; S376-T379 PolarHBondContact O-N 3.06Å; S376-M380 WeakPolarHBondContact O-CA 2.77Å; S376-M380 PolarHBondContact O-N 2.79Å; S376-N381 PolarHBondContact N-O 3.46Å
377	P	87	Confident	88	Confident	69 Å²	69	55.5 Å²	55.5	45%	0.448	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-21.1	178.1	-24.5	34.5	0	0	0	114.8	M380	P377-M380 WeakPolarHBondContact O-CE 3.34Å
378	D	85.4	Confident	88.5	Confident	153 Å²	153	50.2 Å²	50.2	82%	0.818	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-39.6	-177.7	-61	-43.4	0	0	0	112.1	S376	S376-D378 PolarHBondContact O-N 3.41Å; S376-D378 VanDerWaalsContact O-N 3.17Å
379	T	84.9	Confident	88.7	Confident	92 Å²	92	50.3 Å²	50.3	56%	0.564	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-15.5	-177.4	61.2	0	0	0	0	113.3	S376 N381	S376-T379 PolarHBondContact O-N 3.06Å; T379-N381 PolarHBondContact O-N 3.36Å; T379-N381 PolarHBondContact OG1-N 3.39Å
380	M	89.6	Confident	88.8	Confident	24 Å²	24	52.3 Å²	52.3	12%	0.118	30%	0.296	C	S	.	.			trans	54.5	17.7	-171.2	-57.9	-62.4	175.9	0	0	113.9	T220 T223 K224 H227 Y375 S376 P377	T220-M380 HydrophobicContact CG2-CB 4.02Å; T223-M380 WeakPolarHBondContact CB-O 3.42Å; T223-M380 HydrophobicContact CG2-CB 4.49Å; K224-M380 HydrophobicContact CB-CB 4.41Å; K224-M380 HydrophobicContact CB-CG 4.14Å; K224-M380 HydrophobicContact CG-CG 4.31Å; H227-M380 HydrophobicContact CB-CE 4.46Å; H227-M380 HydrophobicContact CB-SD 4.22Å; H227-M380 WeakPolarHBondContact CD2-CE 2.98Å; Y375-M380 HydrophobicContact CD2-SD 4.45Å; Y375-M380 HydrophobicContact CE2-SD 4.38Å; S376-M380 WeakPolarHBondContact O-CA 2.77Å; S376-M380 PolarHBondContact O-N 2.79Å; P377-M380 WeakPolarHBondContact O-CE 3.34Å
381	N	86.3	Confident	88.7	Confident	88 Å²	88	56.3 Å²	56.3	47%	0.471	32%	0.317	S	S	.	.			trans	-84.8	132.4	173.9	-165.8	11.8	0	0	0	109.1	Y375 S376 T379	Y375-N381 VanDerWaalsContact CA-O 3.27Å; Y375-N381 WeakPolarHBondContact CA-O 3.38Å; Y375-N381 WeakPolarHBondContact CB-O 3.27Å; S376-N381 PolarHBondContact N-O 3.46Å; T379-N381 PolarHBondContact O-N 3.36Å; T379-N381 PolarHBondContact OG1-N 3.39Å
382	G	84.9	Confident	88.5	Confident	2 Å²	2	59.8 Å²	59.8	2%	0.021	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	152.3	-172.6	0	0	0	0	0	114	W373 N374	W373-G382 VanDerWaalsContact CH2-O 3.31Å; W373-G382 WeakPolarHBondContact CH2-O 3.3Å; W373-G382 VanDerWaalsContact CZ2-C 3.44Å; W373-G382 WeakPolarHBondContact CZ2-O 3.4Å; N374-G382 CarbonylContact O-C 3.55Å; N374-G382 WeakPolarHBondContact O-CA 3.39Å
383	T	89	Confident	88.3	Confident	79 Å²	79	65.3 Å²	65.3	49%	0.485	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	151.5	179.2	57	0	0	0	0	110.2	N374	N374-T383 WeakPolarHBondContact CB-O 3.33Å; N374-T383 PolarHBondContact N-O 2.99Å; N374-T383 PolarHBondContact O-N 3.29Å
384	W	89.6	Confident	87.8	Confident	26 Å²	26	67.4 Å²	67.4	10%	0.098	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	139.1	171.1	-67.4	107.5	0	0	0	110.7	L309 V331 V335 A371 F372 W373 A410 L412	L309-W384 HydrophobicContact CB-CZ2 3.82Å; L309-W384 HydrophobicContact CD1-CH2 4.25Å; L309-W384 HydrophobicContact CD1-CZ2 3.69Å; L309-W384 HydrophobicContact CG-CZ2 4.39Å; L309-W384 PolarHBondContact O-NE1 3.15Å; V331-W384 HydrophobicContact CG2-CD2 4.45Å; V331-W384 HydrophobicContact CG2-CZ2 3.67Å; V331-W384 VanDerWaalsContact CG2-NE1 3.34Å; V335-W384 HydrophobicContact CG2-CH2 4.31Å; A371-W384 HydrophobicContact CB-CB 4.47Å; A371-W384 HydrophobicContact CB-CE3 4.12Å; F372-W384 WeakPolarHBondContact O-CA 3.49Å; W373-W384 HydrophobicContact CB-CE3 4.35Å; W373-W384 HydrophobicContact CB-CH2 4.24Å; W373-W384 HydrophobicContact CB-CZ3 3.99Å; W373-W384 AromaticContact CE3-CD1 3.88Å; W373-W384 AromaticContact CE3-CD2 3.56Å; W373-W384 HydrophobicContact CE3-CD2 3.56Å; W373-W384 AromaticContact CE3-CE2 3.38Å; W373-W384 HydrophobicContact CE3-CE3 4.1Å; W373-W384 AromaticContact CE3-CG 3.87Å; W373-W384 HydrophobicContact CE3-CG 3.87Å; W373-W384 HydrophobicContact CE3-CH2 4.26Å; W373-W384 AromaticContact CE3-CZ2 3.77Å; W373-W384 HydrophobicContact CE3-CZ2 3.77Å; W373-W384 HydrophobicContact CE3-CZ3 4.42Å; W373-W384 AromaticContact CE3-NE1 3.59Å; W373-W384 AromaticContact CZ3-CD1 3.55Å; W373-W384 HydrophobicContact CZ3-CD2 4.05Å; W373-W384 AromaticContact CZ3-CE2 3.67Å; W373-W384 AromaticContact CZ3-CG 3.97Å; W373-W384 HydrophobicContact CZ3-CG 3.97Å; W373-W384 HydrophobicContact CZ3-CZ2 4.29Å; W373-W384 AromaticContact CZ3-NE1 3.33Å; W373-W384 VanDerWaalsContact CZ3-NE1 3.33Å; W384-A410 HydrophobicContact CH2-CB 3.47Å; W384-A410 VanDerWaalsContact CH2-CB 3.47Å; W384-A410 HydrophobicContact CZ2-CB 4.18Å; W384-A410 HydrophobicContact CZ3-CB 3.66Å; W384-L412 HydrophobicContact CB-CD2 3.81Å; W384-L412 HydrophobicContact CD2-CD1 4.08Å; W384-L412 HydrophobicContact CD2-CD2 4.28Å; W384-L412 HydrophobicContact CE3-CD1 4.09Å; W384-L412 HydrophobicContact CG-CD1 4.33Å; W384-L412 HydrophobicContact CG-CD2 3.71Å
385	S	86.8	Confident	87.4	Confident	28 Å²	28	67.7 Å²	67.7	20%	0.196	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	147.2	173.4	176.4	0	0	0	0	110.1	A371 F372 E387	A371-S385 CarbonylContact C-O 3.6Å; A371-S385 WeakPolarHBondContact CA-O 3.38Å; A371-S385 VanDerWaalsContact CB-O 3.26Å; A371-S385 WeakPolarHBondContact CB-O 3.45Å; F372-S385 WeakPolarHBondContact CD1-O 3.45Å; F372-S385 WeakPolarHBondContact CE1-O 3.43Å; F372-S385 PolarHBondContact N-O 3.34Å; F372-S385 PolarHBondContact O-N 3.49Å; S385-E387 WeakPolarHBondContact OG-CB 3.33Å; S385-E387 PolarHBondContact OG-N 3.21Å
386	S	88.5	Confident	87	Confident	57 Å²	57	70.1 Å²	70.1	40%	0.399	39%	0.389	S	S	.	.			trans	-101	3	174.4	51.8	0	0	0	0	113.2	C370 G388 C389	C370-S386 WeakPolarHBondContact O-CB 3.43Å; S386-G388 PolarHBondContact O-N 3.42Å; S386-C389 PolarHBondContact O-N 3.09Å; S386-C389 VanDerWaalsContact O-N 3.17Å
387	E	87.1	Confident	86.8	Confident	147 Å²	147	70.6 Å²	70.6	69%	0.687	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	129.3	-177.4	-167.3	179.1	176.8	0	0	112.5	F372 S385 C389 H405	F372-E387 HydrophobicContact CE1-CB 4.22Å; F372-E387 WeakPolarHBondContact CE1-O 3.25Å; S385-E387 WeakPolarHBondContact OG-CB 3.33Å; S385-E387 PolarHBondContact OG-N 3.21Å; E387-C389 PolarHBondContact O-N 3.36Å; E387-H405 PolarHBondContact O-NE2 3.28Å
388	G	82.8	Confident	86.9	Confident	33 Å²	33	70.7 Å²	70.7	34%	0.34	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	5.4	-179.1	0	0	0	0	0	115.1	S386 C403 N404	S386-G388 PolarHBondContact O-N 3.42Å; G388-C403 VanDerWaalsContact O-CA 3.3Å; G388-C403 WeakPolarHBondContact O-CA 3.35Å; G388-N404 WeakPolarHBondContact CA-OD1 2.92Å; G388-N404 PolarHBondContact O-N 3.14Å; G388-N404 VanDerWaalsContact O-N 3.14Å; G388-N404 PolarHBondContact O-OD1 3.4Å
389	C	89.3	Confident	87.2	Confident	19 Å²	19	63.4 Å²	63.4	13%	0.128	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	130.7	175.4	-72.5	0	0	0	0	111.8	C370 S386 E387 R402 C403	C370-C389 HydrophobicContact CB-CB 4.14Å; S386-C389 PolarHBondContact O-N 3.09Å; S386-C389 VanDerWaalsContact O-N 3.17Å; E387-C389 PolarHBondContact O-N 3.36Å; C389-R402 CarbonylContact C-O 3.57Å; C389-R402 WeakPolarHBondContact CA-O 3.38Å; C389-C403 VanDerWaalsContact CA-SG 3.6Å; C389-C403 HydrophobicContact CB-CB 4.18Å; C389-C403 WeakPolarHBondContact CB-SG 3.28Å; C389-C403 WeakPolarHBondContact SG-CB 3.44Å; C389-C403 CovalentContact SG-SG 2.04Å; C389-C403 PolarHBondContact SG-SG 3.36Å
390	E	89.9	Confident	87.6	Confident	93 Å²	93	59.9 Å²	59.9	44%	0.435	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	134.6	179.8	-65.5	168.9	-172.7	0	0	110.2	K352 T392 C401 R402	K352-E390 IonicContact NZ-OE1 2.59Å; K352-E390 IonicContact NZ-OE2 3.14Å; E390-T392 PolarHBondContact O-N 3.29Å; E390-C401 CarbonylContact O-C 3.49Å; E390-C401 WeakPolarHBondContact O-CA 3.34Å; E390-R402 PolarHBondContact N-O 2.75Å; E390-R402 PolarHBondContact O-N 3.07Å; E390-R402 IonicContact OE2-CZ 2.62Å; E390-R402 IonicContact OE2-NE 3.27Å; E390-R402 PolarHBondContact OE2-NE 3.19Å; E390-R402 IonicContact OE2-NH2 3.35Å; E390-R402 PolarHBondContact OE2-NH2 3.35Å
391	L	89	Confident	87.8	Confident	91 Å²	91	58.7 Å²	58.7	48%	0.476	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	123.5	170.1	-175.5	71.9	0	0	0	109.6	C370 T399	C370-L391 VanDerWaalsContact SG-CD1 3.58Å; L391-T399 HydrophobicContact CD1-CG2 3.37Å
392	T	88.3	Confident	88.1	Confident	73 Å²	73	58.9 Å²	58.9	45%	0.448	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	-44.5	177.8	55.5	0	0	0	0	112	E390 S400 R402	E390-T392 PolarHBondContact O-N 3.29Å; T392-S400 PolarHBondContact N-O 3.02Å; T392-S400 VanDerWaalsContact OG1-CB 3.29Å; T392-S400 WeakPolarHBondContact OG1-CB 3.44Å; T392-S400 PolarHBondContact OG1-O 2.98Å; T392-R402 HydrophobicContact CG2-CB 3.59Å
393	Y	87.3	Confident	88.4	Confident	129 Å²	129	58.9 Å²	58.9	51%	0.506	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	144	-179.5	174.4	-102.3	0	0	0	109.6	N395 S400	Y393-N395 HydrophobicContact CE1-CB 3.93Å; Y393-N395 PolarHBondContact OH-ND2 3.17Å; Y393-S400 PolarHBondContact N-O 3.25Å; Y393-S400 PolarHBondContact O-N 3.02Å
394	S	84.4	Confident	88.4	Confident	48 Å²	48	59.7 Å²	59.7	34%	0.336	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	137.1	172.9	-167	0	0	0	0	109.5	S368 T399	S368-S394 PolarHBondContact OG-OG 3.2Å; S394-T399 PolarHBondContact OG-OG1 3.37Å; S394-T399 VanDerWaalsContact OG-OG1 3.08Å
395	N	83.8	Confident	88.4	Confident	81 Å²	81	60.4 Å²	60.4	43%	0.433	32%	0.318	S	S	.	.			trans	-123.3	-178.7	169.6	-161.6	-8.1	0	0	0	109	Y393 T397 H398	Y393-N395 HydrophobicContact CE1-CB 3.93Å; Y393-N395 PolarHBondContact OH-ND2 3.17Å; N395-T397 PolarHBondContact O-N 2.9Å; N395-H398 PolarHBondContact N-O 3.28Å
396	E	82.5	Confident	88.4	Confident	91 Å²	91	62.1 Å²	62.1	43%	0.425	32%	0.324	S	S	.	.	S	Bend	trans	-60.5	-29.4	178.8	-65.6	-168.7	158.9	0	0	113.4	H359 K361	H359-E396 PolarHBondContact CE1-O 3.19Å; K361-E396 WeakPolarHBondContact CA-O 3.43Å; K361-E396 VanDerWaalsContact CE-OE2 3.22Å; K361-E396 WeakPolarHBondContact CE-OE2 3.32Å; K361-E396 IonicContact NZ-OE1 3.31Å; K361-E396 PolarHBondContact NZ-OE1 3.34Å; K361-E396 IonicContact NZ-OE2 2.92Å; K361-E396 PolarHBondContact NZ-OE2 3.1Å
397	T	85.6	Confident	88.5	Confident	60 Å²	60	60.9 Å²	60.9	37%	0.368	31%	0.314	S	S	.	.	S	Bend	trans	-121.2	-16.2	-171.2	55.8	0	0	0	0	114.3	S358 H359 N395	S358-T397 CarbonylContact C-O 3.57Å; S358-T397 VanDerWaalsContact CA-O 3.28Å; S358-T397 WeakPolarHBondContact CA-O 3.2Å; H359-T397 PolarHBondContact N-O 3.12Å; N395-T397 PolarHBondContact O-N 2.9Å
398	H	90.3	Very high	88.9	Confident	70 Å²	70	54 Å²	54	32%	0.324	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	137.7	-176.1	-66.9	75.7	0	0	0	110.3	T356 L357 H359 N395	T356-H398 HydrophobicContact CG2-CB 4.31Å; L357-H398 WeakPolarHBondContact O-CA 3.49Å; H359-H398 VanDerWaalsContact NE2-C 3.33Å; H359-H398 PolarHBondContact NE2-N 2.91Å; N395-H398 PolarHBondContact N-O 3.28Å
399	T	91.1	Very high	89.5	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	131.4	174.7	-66.7	0	0	0	0	109.5	T356 L357 H359 S368 L391 S394 I411	T356-T399 WeakPolarHBondContact CA-O 3.47Å; L357-T399 PolarHBondContact N-O 2.97Å; L357-T399 PolarHBondContact O-N 3.47Å; H359-T399 PolarHBondContact CD2-OG1 3.36Å; H359-T399 VanDerWaalsContact CD2-OG1 3.3Å; H359-T399 PolarHBondContact NE2-OG1 3.19Å; S368-T399 WeakPolarHBondContact CB-OG1 3.43Å; L391-T399 HydrophobicContact CD1-CG2 3.37Å; S394-T399 PolarHBondContact OG-OG1 3.37Å; S394-T399 VanDerWaalsContact OG-OG1 3.08Å; T399-I411 HydrophobicContact CG2-CD1 3.72Å; T399-I411 HydrophobicContact CG2-CG1 4.35Å; T399-I411 HydrophobicContact CG2-CG2 4.31Å
400	S	93.1	Very high	89.7	Confident	18 Å²	18	51.5 Å²	51.5	13%	0.126	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	134.4	175.4	-58	0	0	0	0	110.8	F355 T356 T392 Y393	F355-S400 CarbonylContact O-C 3.59Å; F355-S400 VanDerWaalsContact O-CA 3.28Å; F355-S400 WeakPolarHBondContact O-CA 3.12Å; T356-S400 WeakPolarHBondContact CG2-OG 3.25Å; T356-S400 PolarHBondContact OG1-OG 3.02Å; T392-S400 PolarHBondContact N-O 3.02Å; T392-S400 VanDerWaalsContact OG1-CB 3.29Å; T392-S400 WeakPolarHBondContact OG1-CB 3.44Å; T392-S400 PolarHBondContact OG1-O 2.98Å; Y393-S400 PolarHBondContact N-O 3.25Å; Y393-S400 PolarHBondContact O-N 3.02Å
401	C	93.5	Very high	89.7	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	156	-174.3	-60.8	0	0	0	0	111	T354 F355 C370 E390 I411	T354-C401 WeakPolarHBondContact CA-O 3.46Å; F355-C401 HydrophobicContact CD1-CB 4.29Å; F355-C401 HydrophobicContact CD2-CB 4.08Å; F355-C401 HydrophobicContact CE1-CB 3.74Å; F355-C401 HydrophobicContact CE2-CB 3.51Å; F355-C401 HydrophobicContact CG-CB 4.45Å; F355-C401 HydrophobicContact CZ-CB 3.31Å; F355-C401 PolarHBondContact N-O 3.48Å; F355-C401 VanDerWaalsContact N-O 3.08Å; F355-C401 PolarHBondContact O-N 3.35Å; C370-C401 HydrophobicContact CB-CB 3.65Å; C370-C401 WeakPolarHBondContact CB-SG 3.43Å; C370-C401 WeakPolarHBondContact SG-CB 3.42Å; C370-C401 CovalentContact SG-SG 2.01Å; C370-C401 PolarHBondContact SG-SG 2.98Å; E390-C401 CarbonylContact O-C 3.49Å; E390-C401 WeakPolarHBondContact O-CA 3.34Å; C401-I411 WeakPolarHBondContact SG-CD1 3.03Å
402	R	92.4	Very high	89.7	Confident	91 Å²	91	42.8 Å²	42.8	34%	0.343	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	116.5	176.9	-173.6	171	69.9	-179	-0.8	110.8	K352 I353 T354 C389 E390 T392	K352-R402 HydrophobicContact CB-CG 3.77Å; K352-R402 VanDerWaalsContact CD-CD 3.47Å; K352-R402 HydrophobicContact CD-CG 3.79Å; K352-R402 HydrophobicContact CG-CG 4.29Å; I353-R402 CarbonylContact O-C 3.59Å; I353-R402 VanDerWaalsContact O-CA 3.23Å; I353-R402 WeakPolarHBondContact O-CA 3.38Å; T354-R402 HydrophobicContact CG2-CB 3.97Å; T354-R402 HydrophobicContact CG2-CG 3.8Å; C389-R402 CarbonylContact C-O 3.57Å; C389-R402 WeakPolarHBondContact CA-O 3.38Å; E390-R402 PolarHBondContact N-O 2.75Å; E390-R402 PolarHBondContact O-N 3.07Å; E390-R402 IonicContact OE2-CZ 2.62Å; E390-R402 IonicContact OE2-NE 3.27Å; E390-R402 PolarHBondContact OE2-NE 3.19Å; E390-R402 IonicContact OE2-NH2 3.35Å; E390-R402 PolarHBondContact OE2-NH2 3.35Å; T392-R402 HydrophobicContact CG2-CB 3.59Å
403	C	91.5	Very high	89.3	Confident	2 Å²	2	41 Å²	41	1%	0.014	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	158.3	-178.4	-56.5	0	0	0	0	112.3	I353 G388 C389 F409	I353-C403 PolarHBondContact N-O 2.98Å; I353-C403 PolarHBondContact O-N 3.08Å; G388-C403 VanDerWaalsContact O-CA 3.3Å; G388-C403 WeakPolarHBondContact O-CA 3.35Å; C389-C403 VanDerWaalsContact CA-SG 3.6Å; C389-C403 HydrophobicContact CB-CB 4.18Å; C389-C403 WeakPolarHBondContact CB-SG 3.28Å; C389-C403 WeakPolarHBondContact SG-CB 3.44Å; C389-C403 CovalentContact SG-SG 2.04Å; C389-C403 PolarHBondContact SG-SG 3.36Å; C403-F409 HydrophobicContact CB-CD1 4.48Å; C403-F409 HydrophobicContact CB-CE1 3.63Å; C403-F409 HydrophobicContact CB-CZ 4.05Å; C403-F409 VanDerWaalsContact SG-CE1 3.53Å
404	N	89.8	Confident	88.2	Confident	96 Å²	96	36.3 Å²	36.3	51%	0.513	19%	0.19	S	C	.	.	S	Bend	trans	-105.6	5.1	-177.5	68	-8.8	0	0	0	114.8	G388	G388-N404 WeakPolarHBondContact CA-OD1 2.92Å; G388-N404 PolarHBondContact O-N 3.14Å; G388-N404 VanDerWaalsContact O-N 3.14Å; G388-N404 PolarHBondContact O-OD1 3.4Å
405	H	88.5	Confident	86.9	Confident	41 Å²	41	36 Å²	36	19%	0.19	19%	0.187	C	C	.	.	S	Bend	trans	-132.6	165.5	-178.9	52.9	61.6	0	0	0	110.5	I353 F372 E387 T407 F409	I353-H405 WeakPolarHBondContact CD1-O 3.44Å; F372-H405 AromaticContact CD1-CE1 3.3Å; F372-H405 WeakPolarHBondContact CD1-CE1 3.49Å; F372-H405 AromaticContact CD1-NE2 3.34Å; F372-H405 VanDerWaalsContact CD1-NE2 3.34Å; F372-H405 WeakPolarHBondContact CD1-NE2 3.29Å; F372-H405 AromaticContact CD2-CE1 3.63Å; F372-H405 AromaticContact CE1-CE1 3.77Å; F372-H405 AromaticContact CE1-NE2 3.35Å; F372-H405 VanDerWaalsContact CE1-NE2 3.35Å; F372-H405 WeakPolarHBondContact CE1-NE2 3.28Å; F372-H405 AromaticContact CG-CE1 3.24Å; F372-H405 WeakPolarHBondContact CG-CE1 3.46Å; F372-H405 AromaticContact CG-NE2 3.75Å; F372-H405 AromaticContact CZ-NE2 3.71Å; E387-H405 PolarHBondContact O-NE2 3.28Å; H405-T407 PolarHBondContact CE1-OG1 3.2Å; H405-T407 VanDerWaalsContact CE1-OG1 3.32Å; H405-T407 PolarHBondContact ND1-OG1 3.25Å; H405-T407 VanDerWaalsContact ND1-OG1 3.1Å; H405-F409 AromaticContact CE1-CE1 3.67Å; H405-F409 AromaticContact ND1-CE1 3.79Å; H405-F409 AromaticContact ND1-CZ 3.99Å; H405-F409 VanDerWaalsContact O-CZ 3.32Å; H405-F409 WeakPolarHBondContact O-CZ 3.42Å
406	M	88.2	Confident	85.1	Confident	65 Å²	65	33.1 Å²	33.1	32%	0.32	18%	0.177	S	C	.	.			trans	-106	107.7	179.1	-78.8	177.3	-67.7	0	0	109	V338 M340 L350 I353	V338-M406 HydrophobicContact CG1-CG 4.26Å; V338-M406 WeakPolarHBondContact O-CB 3.5Å; M340-M406 HydrophobicContact CB-CE 4.14Å; M340-M406 HydrophobicContact CB-SD 3.56Å; M340-M406 VanDerWaalsContact CB-SD 3.56Å; M340-M406 HydrophobicContact CE-CE 4.17Å; M340-M406 HydrophobicContact CE-SD 4.47Å; L350-M406 HydrophobicContact CD1-CE 4.32Å; L350-M406 HydrophobicContact CD1-CG 4.4Å; L350-M406 HydrophobicContact CD1-SD 3.98Å; L350-M406 HydrophobicContact CD2-CE 4.49Å; L350-M406 HydrophobicContact CD2-CG 3.7Å; L350-M406 HydrophobicContact CD2-SD 4.31Å; I353-M406 HydrophobicContact CD1-CB 4.45Å; I353-M406 HydrophobicContact CD1-CG 3.64Å
407	T	91.3	Very high	83.3	Confident	31 Å²	31	34.4 Å²	34.4	19%	0.19	19%	0.193	C	C	.	.	S	Bend	trans	-150.4	-171.2	-174.8	55.3	0	0	0	0	110.4	S337 F372 H405 F409	S337-T407 WeakPolarHBondContact CA-O 3.49Å; S337-T407 WeakPolarHBondContact CB-O 3.35Å; F372-T407 WeakPolarHBondContact CB-OG1 3.31Å; F372-T407 HydrophobicContact CD2-CG2 3.84Å; F372-T407 HydrophobicContact CE2-CG2 4.38Å; H405-T407 PolarHBondContact CE1-OG1 3.2Å; H405-T407 VanDerWaalsContact CE1-OG1 3.32Å; H405-T407 PolarHBondContact ND1-OG1 3.25Å; H405-T407 VanDerWaalsContact ND1-OG1 3.1Å; T407-F409 WeakPolarHBondContact O-CD2 3.38Å; T407-F409 VanDerWaalsContact O-CE2 3.3Å; T407-F409 WeakPolarHBondContact O-CE2 3.36Å; T407-F409 WeakPolarHBondContact OG1-CE1 3.36Å; T407-F409 WeakPolarHBondContact OG1-CZ 3.33Å
408	H	94	Very high	81.3	Confident	2 Å²	2	34.9 Å²	34.9	1%	0.009	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	121.9	168.2	-50.6	-86.5	0	0	0	110.6	M226 E230 V335 I336 S337 F372 W373	M226-H408 HydrophobicContact CE-CB 3.56Å; M226-H408 VanDerWaalsContact CE-ND1 3.3Å; M226-H408 WeakPolarHBondContact CE-ND1 3.42Å; E230-H408 IonicContact OE2-NE2 3.99Å; V335-H408 HydrophobicContact CG1-CB 3.98Å; I336-H408 CarbonylContact O-C 3.59Å; S337-H408 WeakPolarHBondContact CB-ND1 3.42Å; S337-H408 PolarHBondContact OG-ND1 2.99Å; F372-H408 CarbonylContact C-O 3.25Å; F372-H408 WeakPolarHBondContact CA-O 3.37Å; F372-H408 WeakPolarHBondContact CB-O 3.26Å; W373-H408 HydrophobicContact CB-CB 4.13Å; W373-H408 PolarHBondContact N-O 2.63Å
409	F	94.9	Very high	79.4	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	148.4	-175.6	-56.8	-71.6	0	0	0	112.1	I279 V335 I336 V338 I353 F355 A371 F372 C403 H405 T407	I279-F409 HydrophobicContact CD1-CD2 4.45Å; V335-F409 WeakPolarHBondContact CA-O 3.43Å; I336-F409 HydrophobicContact CG2-CB 4.09Å; I336-F409 PolarHBondContact N-O 3.08Å; I336-F409 PolarHBondContact O-N 3.24Å; V338-F409 HydrophobicContact CG1-CE2 4.17Å; I353-F409 HydrophobicContact CD1-CE2 4.43Å; I353-F409 HydrophobicContact CD1-CZ 4.4Å; I353-F409 HydrophobicContact CG2-CE2 4.48Å; F355-F409 HydrophobicContact CD1-CB 4.29Å; F355-F409 HydrophobicContact CD1-CD1 4.46Å; F355-F409 HydrophobicContact CD1-CD2 4.11Å; F355-F409 HydrophobicContact CD1-CG 4.03Å; F355-F409 HydrophobicContact CE1-CB 3.67Å; F355-F409 AromaticContact CE1-CD1 3.55Å; F355-F409 HydrophobicContact CE1-CD1 3.55Å; F355-F409 AromaticContact CE1-CD2 3.96Å; F355-F409 HydrophobicContact CE1-CD2 3.96Å; F355-F409 HydrophobicContact CE1-CE1 4.16Å; F355-F409 AromaticContact CE1-CG 3.43Å; F355-F409 HydrophobicContact CE1-CG 3.43Å; F355-F409 VanDerWaalsContact CE1-CG 3.43Å; F355-F409 HydrophobicContact CE2-CB 4.03Å; F355-F409 HydrophobicContact CZ-CB 3.51Å; F355-F409 AromaticContact CZ-CD1 3.94Å; F355-F409 HydrophobicContact CZ-CD1 3.94Å; F355-F409 AromaticContact CZ-CG 3.8Å; F355-F409 HydrophobicContact CZ-CG 3.8Å; A371-F409 WeakPolarHBondContact O-CA 3.43Å; F372-F409 HydrophobicContact CB-CD1 3.77Å; F372-F409 HydrophobicContact CB-CE1 3.96Å; C403-F409 HydrophobicContact CB-CD1 4.48Å; C403-F409 HydrophobicContact CB-CE1 3.63Å; C403-F409 HydrophobicContact CB-CZ 4.05Å; C403-F409 VanDerWaalsContact SG-CE1 3.53Å; H405-F409 AromaticContact CE1-CE1 3.67Å; H405-F409 AromaticContact ND1-CE1 3.79Å; H405-F409 AromaticContact ND1-CZ 3.99Å; H405-F409 VanDerWaalsContact O-CZ 3.32Å; H405-F409 WeakPolarHBondContact O-CZ 3.42Å; T407-F409 WeakPolarHBondContact O-CD2 3.38Å; T407-F409 VanDerWaalsContact O-CE2 3.3Å; T407-F409 WeakPolarHBondContact O-CE2 3.36Å; T407-F409 WeakPolarHBondContact OG1-CE1 3.36Å; T407-F409 WeakPolarHBondContact OG1-CZ 3.33Å
410	A	93.8	Very high	77.5	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	167.4	169.2	0	0	0	0	0	110.9	V331 V335 A371 W384 L412	V331-A410 HydrophobicContact CG1-CB 3.72Å; V335-A410 HydrophobicContact CG2-CB 4.28Å; A371-A410 PolarHBondContact N-O 3.23Å; A371-A410 VanDerWaalsContact N-O 3.08Å; A371-A410 PolarHBondContact O-N 2.77Å; A371-A410 VanDerWaalsContact O-O 3.09Å; W384-A410 HydrophobicContact CH2-CB 3.47Å; W384-A410 VanDerWaalsContact CH2-CB 3.47Å; W384-A410 HydrophobicContact CZ2-CB 4.18Å; W384-A410 HydrophobicContact CZ3-CB 3.66Å; A410-L412 HydrophobicContact CB-CD1 4.46Å
411	I	91.6	Very high	75.6	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	126.1	170.6	-50.4	-56.7	0	0	0	108.6	I332 S333 F355 L357 L369 T399 C401	I332-I411 HydrophobicContact CD1-CG2 4.11Å; I332-I411 HydrophobicContact CG1-CB 4.37Å; I332-I411 HydrophobicContact CG1-CG2 4.16Å; I332-I411 VanDerWaalsContact CG1-O 3.3Å; I332-I411 WeakPolarHBondContact CG1-O 3.5Å; I332-I411 PolarHBondContact N-O 3.33Å; S333-I411 PolarHBondContact OG-N 3.36Å; F355-I411 HydrophobicContact CE2-CD1 3.98Å; L357-I411 HydrophobicContact CB-CG1 3.96Å; L357-I411 HydrophobicContact CD1-CG1 4.16Å; L369-I411 WeakPolarHBondContact O-CA 3.3Å; T399-I411 HydrophobicContact CG2-CD1 3.72Å; T399-I411 HydrophobicContact CG2-CG1 4.35Å; T399-I411 HydrophobicContact CG2-CG2 4.31Å; C401-I411 WeakPolarHBondContact SG-CD1 3.03Å
412	L	87.3	Confident	73.6	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	151.1	175.1	-69.6	77.2	0	0	0	110.6	E329 R330 V331 S368 L369 A371 W384 A410	E329-L412 HydrophobicContact CB-CD2 3.94Å; E329-L412 HydrophobicContact CG-CD2 4.44Å; R330-L412 CarbonylContact O-C 3.49Å; R330-L412 WeakPolarHBondContact O-CA 3.46Å; V331-L412 HydrophobicContact CG2-CD2 4.5Å; V331-L412 HydrophobicContact CG2-CG 4.18Å; S368-L412 WeakPolarHBondContact CA-O 3.46Å; L369-L412 HydrophobicContact CB-CB 4.34Å; L369-L412 PolarHBondContact N-O 3.01Å; L369-L412 PolarHBondContact O-N 2.04Å; A371-L412 HydrophobicContact CB-CD1 3.33Å; W384-L412 HydrophobicContact CB-CD2 3.81Å; W384-L412 HydrophobicContact CD2-CD1 4.08Å; W384-L412 HydrophobicContact CD2-CD2 4.28Å; W384-L412 HydrophobicContact CE3-CD1 4.09Å; W384-L412 HydrophobicContact CG-CD1 4.33Å; W384-L412 HydrophobicContact CG-CD2 3.71Å; A410-L412 HydrophobicContact CB-CD1 4.46Å
413	M	80.3	Confident	72	Confident	37 Å²	37	45.5 Å²	45.5	18%	0.182	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	120.3	166.2	-167.4	175.1	72.8	0	0	107.4	R330 I332 I362 Y366	R330-M413 PolarHBondContact N-O 2.82Å; R330-M413 PolarHBondContact O-N 2.91Å; I332-M413 HydrophobicContact CD1-CB 4.2Å; I332-M413 HydrophobicContact CG1-CB 4.49Å; I332-M413 HydrophobicContact CG2-CB 3.76Å; I362-M413 HydrophobicContact CG2-SD 4.41Å; Y366-M413 HydrophobicContact CD1-CE 3.96Å; Y366-M413 HydrophobicContact CD1-CG 3.88Å; Y366-M413 HydrophobicContact CD1-SD 3.98Å; Y366-M413 HydrophobicContact CD2-CE 4.28Å; Y366-M413 HydrophobicContact CD2-CG 4.49Å; Y366-M413 HydrophobicContact CD2-SD 3.75Å; Y366-M413 HydrophobicContact CE1-CE 4.06Å; Y366-M413 HydrophobicContact CE2-CE 4.37Å; Y366-M413 HydrophobicContact CE2-SD 4.37Å; Y366-M413 HydrophobicContact CG-CE 4.08Å; Y366-M413 HydrophobicContact CG-CG 3.68Å; Y366-M413 HydrophobicContact CG-SD 3.53Å; Y366-M413 VanDerWaalsContact CG-SD 3.53Å
414	S	64.4	Low	70.7	Confident	30 Å²	30	51.6 Å²	51.6	21%	0.21	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	130.1	171.2	174.7	0	0	0	0	108.8	K367 G416	K367-S414 PolarHBondContact N-O 3.1Å; K367-S414 PolarHBondContact O-N 3.24Å; K367-S414 VanDerWaalsContact O-N 3.17Å; S414-G416 PolarHBondContact O-N 2.94Å
415	S	57.3	Low	69.7	Low	41 Å²	41	51.3 Å²	51.3	29%	0.287	28%	0.282	S	S	.	.			trans	-67.2	90.2	159.2	53.6	0	0	0	0	107
416	G	46.1	Very low	69.1	Low	21 Å²	21	53.2 Å²	53.2	22%	0.216	29%	0.293	C	S	.	.			trans	-56.2	155.7	167	0	0	0	0	0	109.1	S414 S418	S414-G416 PolarHBondContact O-N 2.94Å; G416-S418 PolarHBondContact O-N 2.86Å
417	P	44.5	Very low	68.3	Low	118 Å²	118	51.3 Å²	51.3	77%	0.766	28%	0.284	S	S	*	.			trans	-67.7	70.1	167	28.4	-32.4	0	0	0	108.2	I419	P417-I419 PolarHBondContact O-N 2.99Å
418	S	44	Very low	67.5	Low	70 Å²	70	51.1 Å²	51.1	49%	0.49	28%	0.283	S	S	.	.			trans	-80.5	104.5	168.5	60.7	0	0	0	0	105.1	G416 G420	G416-S418 PolarHBondContact O-N 2.86Å; S418-G420 PolarHBondContact O-N 2.02Å
419	I	50.7	Low	66.9	Low	65 Å²	65	58.9 Å²	58.9	33%	0.333	31%	0.312	S	S	.	.			trans	-35.7	111.8	145	-63.5	164.5	0	0	0	105.1	P417 I421 D423	P417-I419 PolarHBondContact O-N 2.99Å; I419-I421 PolarHBondContact O-N 2.04Å; I419-D423 HydrophobicContact CG2-CB 3.67Å
420	G	49.9	Very low	66.3	Low	24 Å²	24	61.7 Å²	61.7	25%	0.247	33%	0.326	C	S	.	.			trans	-52.4	143.4	-169.9	0	0	0	0	0	109	S418 K422 D423 Y424	S418-G420 PolarHBondContact O-N 2.02Å; G420-K422 CarbonylContact O-C 3.56Å; G420-K422 PolarHBondContact O-N 2.76Å; G420-D423 CarbonylContact O-C 3.45Å; G420-D423 WeakPolarHBondContact O-CA 3.08Å; G420-D423 PolarHBondContact O-N 2.99Å; G420-Y424 PolarHBondContact O-N 2.99Å
421	I	52.8	Low	65.8	Low	105 Å²	105	62.8 Å²	62.8	54%	0.538	33%	0.333	S	S	.	.	H	α-helix	trans	-51.4	-27.9	177.5	-62.8	168.3	0	0	0	110.7	I419 N425	I419-I421 PolarHBondContact O-N 2.04Å; I421-N425 VanDerWaalsContact O-CB 3.28Å; I421-N425 WeakPolarHBondContact O-CB 3.47Å; I421-N425 PolarHBondContact O-N 3.24Å; I421-N425 VanDerWaalsContact O-N 3.12Å; I421-N425 PolarHBondContact O-ND2 2.98Å
422	K	52.9	Low	65.4	Low	158 Å²	158	65.2 Å²	65.2	69%	0.687	34%	0.344	S	S	*	.	H	α-helix	trans	-64.3	-54.2	167.8	-67.9	-173.3	177.6	-176.2	0	113.1	G420 Y424 N425 I426	G420-K422 CarbonylContact O-C 3.56Å; G420-K422 PolarHBondContact O-N 2.76Å; K422-Y424 PolarHBondContact O-N 3.4Å; K422-N425 PolarHBondContact O-N 3.01Å; K422-I426 WeakPolarHBondContact O-CB 3.48Å; K422-I426 WeakPolarHBondContact O-CD1 3.41Å; K422-I426 WeakPolarHBondContact O-CG1 3.11Å; K422-I426 PolarHBondContact O-N 3.33Å
423	D	58.3	Low	65.4	Low	49 Å²	49	70.8 Å²	70.8	26%	0.262	37%	0.374	S	S	.	.	H	α-helix	trans	-61.3	-40.4	178.1	-64.9	-53.2	0	0	0	112.4	I419 G420 I426 L427 Y647	I419-D423 HydrophobicContact CG2-CB 3.67Å; G420-D423 CarbonylContact O-C 3.45Å; G420-D423 WeakPolarHBondContact O-CA 3.08Å; G420-D423 PolarHBondContact O-N 2.99Å; D423-I426 PolarHBondContact O-N 3.01Å; D423-L427 WeakPolarHBondContact O-CB 3.39Å; D423-L427 PolarHBondContact O-N 3.44Å; D423-Y647 HydrophobicContact CB-CE2 4.41Å; D423-Y647 PolarHBondContact OD1-OH 3.42Å
424	Y	65.3	Low	65.7	Low	131 Å²	131	69.4 Å²	69.4	51%	0.514	37%	0.369	S	S	.	.	H	α-helix	trans	-63.4	-45.3	176.2	177.3	-96.5	0	0	0	111.6	G420 K422 L427 T428	G420-Y424 PolarHBondContact O-N 2.99Å; K422-Y424 PolarHBondContact O-N 3.4Å; Y424-L427 PolarHBondContact O-N 3.36Å; Y424-T428 VanDerWaalsContact O-CB 3.29Å; Y424-T428 WeakPolarHBondContact O-CB 3.01Å; Y424-T428 PolarHBondContact O-N 3.02Å; Y424-T428 PolarHBondContact O-OG1 3.02Å
425	N	67.9	Low	66.8	Low	90 Å²	90	68.7 Å²	68.7	48%	0.481	36%	0.362	S	S	.	.	H	α-helix	trans	-66.4	-40	177.6	-73	-14.9	0	0	0	111.5	I421 K422 R429	I421-N425 VanDerWaalsContact O-CB 3.28Å; I421-N425 WeakPolarHBondContact O-CB 3.47Å; I421-N425 PolarHBondContact O-N 3.24Å; I421-N425 VanDerWaalsContact O-N 3.12Å; I421-N425 PolarHBondContact O-ND2 2.98Å; K422-N425 PolarHBondContact O-N 3.01Å; N425-R429 VanDerWaalsContact O-CG 3.24Å; N425-R429 WeakPolarHBondContact O-CG 3.32Å; N425-R429 PolarHBondContact O-N 3.39Å; N425-R429 VanDerWaalsContact O-N 3.08Å
426	I	75.3	Confident	68.4	Low	81 Å²	81	70.7 Å²	70.7	42%	0.415	37%	0.369	S	S	.	.	H	α-helix	trans	-64.4	-49.4	175.8	-69.4	163.5	0	0	0	110.1	K422 D423 T428 R429 I430 Y647	K422-I426 WeakPolarHBondContact O-CB 3.48Å; K422-I426 WeakPolarHBondContact O-CD1 3.41Å; K422-I426 WeakPolarHBondContact O-CG1 3.11Å; K422-I426 PolarHBondContact O-N 3.33Å; D423-I426 PolarHBondContact O-N 3.01Å; I426-T428 VanDerWaalsContact C-N 3.32Å; I426-T428 PolarHBondContact O-N 3.49Å; I426-R429 PolarHBondContact O-N 3.36Å; I426-R429 VanDerWaalsContact O-N 3.17Å; I426-I430 HydrophobicContact CG2-CD1 3.7Å; I426-I430 HydrophobicContact CG2-CG1 4.38Å; I426-I430 VanDerWaalsContact O-CG1 3.31Å; I426-I430 WeakPolarHBondContact O-CG1 3.36Å; I426-I430 PolarHBondContact O-N 3.44Å; I426-Y647 HydrophobicContact CG2-CE1 4.32Å
427	L	71.8	Confident	70.5	Confident	24 Å²	24	73.7 Å²	73.7	13%	0.126	38%	0.379	C	S	.	.	H	α-helix	trans	-61.4	-42.2	-179.5	-161.9	70.5	0	0	0	111.2	D423 Y424 R429 I430 T431 A646 Y647 T650	D423-L427 WeakPolarHBondContact O-CB 3.39Å; D423-L427 PolarHBondContact O-N 3.44Å; Y424-L427 PolarHBondContact O-N 3.36Å; L427-R429 VanDerWaalsContact C-N 3.35Å; L427-R429 PolarHBondContact O-N 2.94Å; L427-I430 PolarHBondContact O-N 3.41Å; L427-T431 PolarHBondContact O-N 2.97Å; L427-T431 PolarHBondContact O-OG1 2.91Å; L427-A646 HydrophobicContact CD2-CB 4.22Å; L427-Y647 HydrophobicContact CD1-CD1 3.73Å; L427-Y647 HydrophobicContact CD1-CE1 3.98Å; L427-Y647 HydrophobicContact CD1-CG 4.22Å; L427-T650 VanDerWaalsContact CD1-CB 3.44Å; L427-T650 HydrophobicContact CD1-CG2 3.51Å; L427-T650 WeakPolarHBondContact CD1-OG1 3.17Å; L427-T650 HydrophobicContact CG-CG2 3.96Å; L427-T650 WeakPolarHBondContact CG-OG1 3.25Å
428	T	74.3	Confident	72.7	Confident	28 Å²	28	68 Å²	68	17%	0.172	34%	0.343	C	S	.	.	H	α-helix	trans	-62.5	-41.6	176.6	-56.8	0	0	0	0	111.3	Y424 I426 T431 Q432 I481	Y424-T428 VanDerWaalsContact O-CB 3.29Å; Y424-T428 WeakPolarHBondContact O-CB 3.01Å; Y424-T428 PolarHBondContact O-N 3.02Å; Y424-T428 PolarHBondContact O-OG1 3.02Å; I426-T428 VanDerWaalsContact C-N 3.32Å; I426-T428 PolarHBondContact O-N 3.49Å; T428-T431 VanDerWaalsContact C-OG1 3.27Å; T428-T431 VanDerWaalsContact CA-OG1 3.23Å; T428-T431 WeakPolarHBondContact CA-OG1 3.37Å; T428-T431 PolarHBondContact O-N 3.35Å; T428-T431 PolarHBondContact O-OG1 3.18Å; T428-Q432 WeakPolarHBondContact O-CB 3.39Å; T428-Q432 WeakPolarHBondContact O-CG 3.37Å; T428-Q432 PolarHBondContact O-N 3.29Å; T428-I481 HydrophobicContact CG2-CD1 4.3Å
429	R	80.8	Confident	75	Confident	165 Å²	165	65.7 Å²	65.7	62%	0.623	32%	0.324	S	S	*	.	H	α-helix	trans	-66.9	-40.8	175.7	-70	-61.9	-174.8	-166.3	5.5	112.4	N425 I426 L427 Q432 L433	N425-R429 VanDerWaalsContact O-CG 3.24Å; N425-R429 WeakPolarHBondContact O-CG 3.32Å; N425-R429 PolarHBondContact O-N 3.39Å; N425-R429 VanDerWaalsContact O-N 3.08Å; I426-R429 PolarHBondContact O-N 3.36Å; I426-R429 VanDerWaalsContact O-N 3.17Å; L427-R429 VanDerWaalsContact C-N 3.35Å; L427-R429 PolarHBondContact O-N 2.94Å; R429-Q432 PolarHBondContact O-N 2.9Å; R429-L433 PolarHBondContact O-N 2.89Å
430	I	83.1	Confident	77	Confident	58 Å²	58	67.2 Å²	67.2	30%	0.297	33%	0.332	S	S	.	.	H	α-helix	trans	-61.8	-46.8	174.4	-67.2	168.8	0	0	0	110.1	I426 L427 Q432 G434 Y647 T650	I426-I430 HydrophobicContact CG2-CD1 3.7Å; I426-I430 HydrophobicContact CG2-CG1 4.38Å; I426-I430 VanDerWaalsContact O-CG1 3.31Å; I426-I430 WeakPolarHBondContact O-CG1 3.36Å; I426-I430 PolarHBondContact O-N 3.44Å; L427-I430 PolarHBondContact O-N 3.41Å; I430-Q432 PolarHBondContact O-N 3.1Å; I430-G434 PolarHBondContact O-N 3.44Å; I430-Y647 HydrophobicContact CD1-CE1 4.35Å; I430-T650 HydrophobicContact CB-CG2 4.43Å; I430-T650 HydrophobicContact CG2-CG2 3.95Å
431	T	82.8	Confident	78.9	Confident	23 Å²	23	66.9 Å²	66.9	14%	0.141	33%	0.326	C	S	.	.	H	α-helix	trans	-60.6	-43.1	175.7	39	0	0	0	0	112.3	L427 T428 I435 T650	L427-T431 PolarHBondContact O-N 2.97Å; L427-T431 PolarHBondContact O-OG1 2.91Å; T428-T431 VanDerWaalsContact C-OG1 3.27Å; T428-T431 VanDerWaalsContact CA-OG1 3.23Å; T428-T431 WeakPolarHBondContact CA-OG1 3.37Å; T428-T431 PolarHBondContact O-N 3.35Å; T428-T431 PolarHBondContact O-OG1 3.18Å; T431-I435 VanDerWaalsContact O-CB 3.29Å; T431-I435 WeakPolarHBondContact O-CB 3.39Å; T431-I435 WeakPolarHBondContact O-CD1 3.44Å; T431-I435 WeakPolarHBondContact O-CG1 3.46Å; T431-I435 PolarHBondContact O-N 3.33Å; T431-T650 HydrophobicContact CG2-CG2 3.43Å; T431-T650 VanDerWaalsContact CG2-CG2 3.43Å
432	Q	84.1	Confident	80.7	Confident	52 Å²	52	61.9 Å²	61.9	24%	0.243	30%	0.3	C	S	.	.	H	α-helix	trans	-62.3	-50.1	-179.7	-78.6	177.6	-14.8	0	0	111.7	T428 R429 I430 I436	T428-Q432 WeakPolarHBondContact O-CB 3.39Å; T428-Q432 WeakPolarHBondContact O-CG 3.37Å; T428-Q432 PolarHBondContact O-N 3.29Å; R429-Q432 PolarHBondContact O-N 2.9Å; I430-Q432 PolarHBondContact O-N 3.1Å; Q432-I436 WeakPolarHBondContact O-CD1 3.28Å; Q432-I436 VanDerWaalsContact O-CG1 3.23Å; Q432-I436 WeakPolarHBondContact O-CG1 3.19Å; Q432-I436 PolarHBondContact O-N 2.86Å
433	L	87.5	Confident	82.5	Confident	117 Å²	117	56.5 Å²	56.5	61%	0.613	29%	0.285	S	S	*	.	H	α-helix	trans	-66.5	-43.4	179.2	-69.6	172.5	0	0	0	111.7	R429 I436 I437	R429-L433 PolarHBondContact O-N 2.89Å; L433-I436 PolarHBondContact O-N 2.7Å; L433-I437 WeakPolarHBondContact O-CG1 3.45Å; L433-I437 PolarHBondContact O-N 2.78Å; L433-I437 VanDerWaalsContact O-N 3.14Å
434	G	86.3	Confident	83.9	Confident	8 Å²	8	57.7 Å²	57.7	8%	0.082	29%	0.291	C	S	.	.	H	α-helix	trans	-60.5	-48.1	179.2	0	0	0	0	0	113.1	I430 I436 I437 S438	I430-G434 PolarHBondContact O-N 3.44Å; G434-I436 PolarHBondContact O-N 3.46Å; G434-I437 PolarHBondContact O-N 3.05Å; G434-S438 WeakPolarHBondContact O-CB 3.42Å; G434-S438 PolarHBondContact O-N 2.9Å
435	I	87.2	Confident	85	Confident	15 Å²	15	51.4 Å²	51.4	8%	0.077	27%	0.266	C	S	.	.	H	α-helix	trans	-64.7	-39	179.4	-68.7	169.1	0	0	0	111.2	T431 I437 S438 L439 E474 F477 L478	T431-I435 VanDerWaalsContact O-CB 3.29Å; T431-I435 WeakPolarHBondContact O-CB 3.39Å; T431-I435 WeakPolarHBondContact O-CD1 3.44Å; T431-I435 WeakPolarHBondContact O-CG1 3.46Å; T431-I435 PolarHBondContact O-N 3.33Å; I435-I437 PolarHBondContact O-N 2.87Å; I435-S438 PolarHBondContact O-N 3.42Å; I435-L439 HydrophobicContact CG2-CD1 3.9Å; I435-L439 HydrophobicContact CG2-CG 4.16Å; I435-L439 WeakPolarHBondContact O-CB 3.36Å; I435-L439 VanDerWaalsContact O-CG 3.25Å; I435-L439 WeakPolarHBondContact O-CG 3.43Å; I435-L439 PolarHBondContact O-N 3.49Å; I435-E474 HydrophobicContact CG2-CB 4.26Å; I435-F477 HydrophobicContact CD1-CD1 3.5Å; I435-F477 HydrophobicContact CD1-CE1 3.71Å; I435-L478 HydrophobicContact CG2-CB 4.33Å
436	I	90.1	Very high	85.9	Confident	82 Å²	82	48.7 Å²	48.7	42%	0.421	25%	0.251	S	S	.	.	H	α-helix	trans	-61.1	-46.1	176.3	-69	165.6	0	0	0	110.9	Q432 L433 G434 L439 I440	Q432-I436 WeakPolarHBondContact O-CD1 3.28Å; Q432-I436 VanDerWaalsContact O-CG1 3.23Å; Q432-I436 WeakPolarHBondContact O-CG1 3.19Å; Q432-I436 PolarHBondContact O-N 2.86Å; L433-I436 PolarHBondContact O-N 2.7Å; G434-I436 PolarHBondContact O-N 3.46Å; I436-L439 PolarHBondContact O-N 2.81Å; I436-I440 HydrophobicContact CG2-CD1 4.18Å; I436-I440 WeakPolarHBondContact O-CG1 3.47Å; I436-I440 PolarHBondContact O-N 3.47Å; I436-I440 VanDerWaalsContact O-N 3.12Å
437	I	90.6	Very high	86.5	Confident	84 Å²	84	50.7 Å²	50.7	43%	0.431	26%	0.257	S	S	.	.	H	α-helix	trans	-62.4	-46.1	177.2	-65.8	167.2	0	0	0	110.3	L433 G434 I435 L439 I440 C441	L433-I437 WeakPolarHBondContact O-CG1 3.45Å; L433-I437 PolarHBondContact O-N 2.78Å; L433-I437 VanDerWaalsContact O-N 3.14Å; G434-I437 PolarHBondContact O-N 3.05Å; I435-I437 PolarHBondContact O-N 2.87Å; I437-L439 PolarHBondContact O-N 3.49Å; I437-I440 PolarHBondContact O-N 3.26Å; I437-C441 PolarHBondContact O-N 3.4Å; I437-C441 PolarHBondContact O-SG 3.25Å
438	S	91.5	Very high	87	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-57.6	-45.7	177.3	-174.2	0	0	0	0	112.1	G434 I435 I440 C441 L442 E474 G657	G434-S438 WeakPolarHBondContact O-CB 3.42Å; G434-S438 PolarHBondContact O-N 2.9Å; I435-S438 PolarHBondContact O-N 3.42Å; S438-I440 PolarHBondContact O-N 3.4Å; S438-C441 PolarHBondContact O-N 2.89Å; S438-L442 WeakPolarHBondContact O-CB 3.48Å; S438-L442 WeakPolarHBondContact O-CG 3.48Å; S438-L442 PolarHBondContact O-N 3.28Å; S438-E474 WeakPolarHBondContact CB-OE2 3.45Å; S438-E474 VanDerWaalsContact OG-CD 3.31Å; S438-E474 PolarHBondContact OG-OE1 3Å; S438-E474 PolarHBondContact OG-OE2 3.32Å; S438-G657 WeakPolarHBondContact OG-CA 3.42Å; S438-G657 PolarHBondContact OG-N 2.89Å
439	L	91.7	Very high	87.4	Confident	20 Å²	20	49 Å²	49	11%	0.105	25%	0.246	C	C	.	.	H	α-helix	trans	-61.1	-41.8	177.1	-75.3	172	0	0	0	112.4	I435 I436 I437 L442 A443 F471 E474 L475 L478	I435-L439 HydrophobicContact CG2-CD1 3.9Å; I435-L439 HydrophobicContact CG2-CG 4.16Å; I435-L439 WeakPolarHBondContact O-CB 3.36Å; I435-L439 VanDerWaalsContact O-CG 3.25Å; I435-L439 WeakPolarHBondContact O-CG 3.43Å; I435-L439 PolarHBondContact O-N 3.49Å; I436-L439 PolarHBondContact O-N 2.81Å; I437-L439 PolarHBondContact O-N 3.49Å; L439-L442 PolarHBondContact O-N 2.89Å; L439-A443 VanDerWaalsContact O-CB 3.23Å; L439-A443 WeakPolarHBondContact O-CB 3.25Å; L439-A443 PolarHBondContact O-N 2.89Å; L439-F471 HydrophobicContact CB-CE2 4.35Å; L439-F471 HydrophobicContact CD2-CD2 3.56Å; L439-F471 HydrophobicContact CD2-CE2 3.67Å; L439-F471 HydrophobicContact CD2-CG 4.23Å; L439-F471 HydrophobicContact CD2-CZ 4.42Å; L439-E474 HydrophobicContact CD2-CB 3.83Å; L439-E474 HydrophobicContact CG-CB 4.35Å; L439-L475 HydrophobicContact CD2-CB 4.44Å; L439-L478 HydrophobicContact CD1-CD2 4.04Å
440	I	92.8	Very high	87.5	Confident	97 Å²	97	49.7 Å²	49.7	50%	0.497	25%	0.249	S	C	.	.	H	α-helix	trans	-62.9	-47.2	176	-66.7	166.3	0	0	0	110.2	I436 I437 S438 L442 A443 I444	I436-I440 HydrophobicContact CG2-CD1 4.18Å; I436-I440 WeakPolarHBondContact O-CG1 3.47Å; I436-I440 PolarHBondContact O-N 3.47Å; I436-I440 VanDerWaalsContact O-N 3.12Å; I437-I440 PolarHBondContact O-N 3.26Å; S438-I440 PolarHBondContact O-N 3.4Å; I440-L442 PolarHBondContact O-N 3.45Å; I440-A443 PolarHBondContact O-N 3.32Å; I440-I444 HydrophobicContact CG2-CD1 4.02Å; I440-I444 WeakPolarHBondContact O-CG1 3.34Å; I440-I444 PolarHBondContact O-N 3.36Å
441	C	90.6	Very high	87.4	Confident	18 Å²	18	52.9 Å²	52.9	12%	0.122	26%	0.261	C	S	.	.	H	α-helix	trans	-61.4	-44.2	178.4	-72.2	0	0	0	0	112.6	I437 S438 I444 C445 F661	I437-C441 PolarHBondContact O-N 3.4Å; I437-C441 PolarHBondContact O-SG 3.25Å; S438-C441 PolarHBondContact O-N 2.89Å; C441-I444 PolarHBondContact O-N 3.42Å; C441-C445 WeakPolarHBondContact O-CB 3.18Å; C441-C445 PolarHBondContact O-N 3.25Å; C441-F661 HydrophobicContact CB-CB 3.89Å; C441-F661 HydrophobicContact CB-CG 4.3Å
442	L	90.1	Very high	87	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-67.2	-37.3	177.1	-71.4	174.1	0	0	0	111.8	S438 L439 I440 C445 I446 C467 L470 F471 I660	S438-L442 WeakPolarHBondContact O-CB 3.48Å; S438-L442 WeakPolarHBondContact O-CG 3.48Å; S438-L442 PolarHBondContact O-N 3.28Å; L439-L442 PolarHBondContact O-N 2.89Å; I440-L442 PolarHBondContact O-N 3.45Å; L442-C445 WeakPolarHBondContact O-CB 3.35Å; L442-C445 PolarHBondContact O-N 3.09Å; L442-I446 VanDerWaalsContact O-CG1 3.28Å; L442-I446 WeakPolarHBondContact O-CG1 3.42Å; L442-I446 PolarHBondContact O-N 3.38Å; L442-C467 HydrophobicContact CD2-CB 4.3Å; L442-L470 HydrophobicContact CD1-CB 4.23Å; L442-F471 HydrophobicContact CB-CB 4.45Å; L442-F471 HydrophobicContact CB-CD2 4.24Å; L442-F471 HydrophobicContact CD1-CB 4.48Å; L442-I660 HydrophobicContact CD2-CB 4.47Å; L442-I660 HydrophobicContact CD2-CG2 4.21Å
443	A	90.9	Very high	86.2	Confident	44 Å²	44	54.4 Å²	54.4	36%	0.364	28%	0.275	S	S	.	.	H	α-helix	trans	-63.4	-44.6	175.5	0	0	0	0	0	111.9	L439 I440 C445 I446 F447 F471	L439-A443 VanDerWaalsContact O-CB 3.23Å; L439-A443 WeakPolarHBondContact O-CB 3.25Å; L439-A443 PolarHBondContact O-N 2.89Å; I440-A443 PolarHBondContact O-N 3.32Å; A443-C445 VanDerWaalsContact C-N 3.32Å; A443-C445 PolarHBondContact O-N 3.24Å; A443-I446 PolarHBondContact O-N 3.3Å; A443-F447 WeakPolarHBondContact O-CB 3.38Å; A443-F447 PolarHBondContact O-N 3.4Å; A443-F471 HydrophobicContact CB-CE2 4.24Å
444	I	88.3	Confident	85.2	Confident	74 Å²	74	57 Å²	57	38%	0.379	28%	0.284	S	S	.	.	H	α-helix	trans	-60.7	-44.6	173.8	-64.4	166.5	0	0	0	109.8	I440 C441 I446 F447 T448 F661	I440-I444 HydrophobicContact CG2-CD1 4.02Å; I440-I444 WeakPolarHBondContact O-CG1 3.34Å; I440-I444 PolarHBondContact O-N 3.36Å; C441-I444 PolarHBondContact O-N 3.42Å; I444-I446 PolarHBondContact O-N 3.22Å; I444-F447 PolarHBondContact O-N 3.36Å; I444-T448 PolarHBondContact O-N 3.34Å; I444-T448 PolarHBondContact O-OG1 3.03Å; I444-F661 HydrophobicContact CB-CE2 4.27Å; I444-F661 HydrophobicContact CG2-CD2 4.35Å; I444-F661 HydrophobicContact CG2-CE2 3.61Å; I444-F661 HydrophobicContact CG2-CZ 4.23Å
445	C	86.4	Confident	84.3	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-58.6	-46.3	177.8	-173.4	0	0	0	0	112.6	C441 L442 A443 T448 F449 C467 F661	C441-C445 WeakPolarHBondContact O-CB 3.18Å; C441-C445 PolarHBondContact O-N 3.25Å; L442-C445 WeakPolarHBondContact O-CB 3.35Å; L442-C445 PolarHBondContact O-N 3.09Å; A443-C445 VanDerWaalsContact C-N 3.32Å; A443-C445 PolarHBondContact O-N 3.24Å; C445-T448 PolarHBondContact O-N 2.64Å; C445-F449 VanDerWaalsContact O-CD2 3.28Å; C445-F449 WeakPolarHBondContact O-CD2 3.19Å; C445-F449 PolarHBondContact O-N 3.32Å; C445-F449 VanDerWaalsContact O-N 3.16Å; C445-F449 WeakPolarHBondContact SG-CE2 3.07Å; C445-C467 VanDerWaalsContact SG-SG 3.65Å; C445-F661 HydrophobicContact CB-CD2 4.31Å
446	I	88.2	Confident	83.5	Confident	32 Å²	32	63 Å²	63	16%	0.164	31%	0.31	C	S	.	.	H	α-helix	trans	-63.2	-45.6	176.5	-67.6	164.1	0	0	0	110.4	L442 A443 I444 T448 F449 W450 C467 C468 F471	L442-I446 VanDerWaalsContact O-CG1 3.28Å; L442-I446 WeakPolarHBondContact O-CG1 3.42Å; L442-I446 PolarHBondContact O-N 3.38Å; A443-I446 PolarHBondContact O-N 3.3Å; I444-I446 PolarHBondContact O-N 3.22Å; I446-T448 VanDerWaalsContact C-N 3.35Å; I446-T448 PolarHBondContact O-N 2.97Å; I446-F449 PolarHBondContact O-N 3.29Å; I446-W450 PolarHBondContact O-N 3.38Å; I446-C467 HydrophobicContact CG1-CB 3.98Å; I446-C468 HydrophobicContact CD1-CB 4.5Å; I446-F471 HydrophobicContact CD1-CB 4Å; I446-F471 HydrophobicContact CD1-CG 4.21Å
447	F	87.4	Confident	82.9	Confident	124 Å²	124	62.2 Å²	62.2	54%	0.544	31%	0.312	S	S	.	.	H	α-helix	trans	-58.8	-45.7	178.5	179.4	-97.7	0	0	0	111.5	A443 I444 F449 W450 F451	A443-F447 WeakPolarHBondContact O-CB 3.38Å; A443-F447 PolarHBondContact O-N 3.4Å; I444-F447 PolarHBondContact O-N 3.36Å; F447-F449 PolarHBondContact O-N 3.1Å; F447-W450 PolarHBondContact O-N 3.04Å; F447-W450 VanDerWaalsContact O-N 3.14Å; F447-F451 HydrophobicContact CE1-CB 4.17Å; F447-F451 HydrophobicContact CE1-CD2 4.45Å; F447-F451 HydrophobicContact CE1-CG 4.24Å; F447-F451 HydrophobicContact CE2-CD2 4.4Å; F447-F451 HydrophobicContact CZ-CB 4.2Å; F447-F451 AromaticContact CZ-CD2 3.86Å; F447-F451 HydrophobicContact CZ-CD2 3.86Å; F447-F451 HydrophobicContact CZ-CG 4.1Å; F447-F451 VanDerWaalsContact O-CB 3.28Å; F447-F451 WeakPolarHBondContact O-CB 3.43Å; F447-F451 PolarHBondContact O-N 2.96Å
448	T	83.3	Confident	82.3	Confident	2 Å²	2	59.8 Å²	59.8	1%	0.012	30%	0.302	C	S	.	.	H	α-helix	trans	-57.5	-46.7	176.2	-58	0	0	0	0	111.5	I444 C445 I446 W450 F452 I671 Y675	I444-T448 PolarHBondContact O-N 3.34Å; I444-T448 PolarHBondContact O-OG1 3.03Å; C445-T448 PolarHBondContact O-N 2.64Å; I446-T448 VanDerWaalsContact C-N 3.35Å; I446-T448 PolarHBondContact O-N 2.97Å; T448-W450 VanDerWaalsContact C-N 3.29Å; T448-W450 PolarHBondContact O-N 3.32Å; T448-F452 HydrophobicContact CG2-CD2 3.76Å; T448-F452 HydrophobicContact CG2-CE2 3.91Å; T448-F452 VanDerWaalsContact O-CD2 3.23Å; T448-F452 WeakPolarHBondContact O-CD2 3.4Å; T448-F452 PolarHBondContact O-N 3.46Å; T448-I671 HydrophobicContact CG2-CG2 4.16Å; T448-Y675 HydrophobicContact CG2-CE2 3.99Å; T448-Y675 WeakPolarHBondContact CG2-OH 3.48Å; T448-Y675 PolarHBondContact OG1-OH 3.25Å
449	F	82.7	Confident	81.6	Confident	13 Å²	13	62.9 Å²	62.9	6%	0.057	31%	0.313	C	S	.	.	H	α-helix	trans	-70.7	-22.8	178.8	-64.7	-38.6	0	0	0	114.2	C445 I446 F447 T460 H463 K464 L664 I671	C445-F449 VanDerWaalsContact O-CD2 3.28Å; C445-F449 WeakPolarHBondContact O-CD2 3.19Å; C445-F449 PolarHBondContact O-N 3.32Å; C445-F449 VanDerWaalsContact O-N 3.16Å; C445-F449 WeakPolarHBondContact SG-CE2 3.07Å; I446-F449 PolarHBondContact O-N 3.29Å; F447-F449 PolarHBondContact O-N 3.1Å; F449-T460 HydrophobicContact CD1-CG2 4.43Å; F449-T460 HydrophobicContact CE1-CG2 4.26Å; F449-H463 HydrophobicContact CE2-CB 3.98Å; F449-H463 HydrophobicContact CZ-CB 4.27Å; F449-K464 HydrophobicContact CB-CB 4.46Å; F449-K464 HydrophobicContact CB-CG 4.49Å; F449-K464 HydrophobicContact CD2-CB 4.47Å; F449-L664 HydrophobicContact CZ-CB 4.26Å; F449-I671 HydrophobicContact CE1-CD1 3.7Å; F449-I671 HydrophobicContact CZ-CD1 4.44Å
450	W	82.3	Confident	81.1	Confident	181 Å²	181	63 Å²	63	69%	0.686	32%	0.315	S	S	*	.	H	α-helix	trans	-82.6	-44.8	175	-110.7	24.5	0	0	0	113	I446 F447 T448	I446-W450 PolarHBondContact O-N 3.38Å; F447-W450 PolarHBondContact O-N 3.04Å; F447-W450 VanDerWaalsContact O-N 3.14Å; T448-W450 VanDerWaalsContact C-N 3.29Å; T448-W450 PolarHBondContact O-N 3.32Å
451	F	80.2	Confident	80.7	Confident	124 Å²	124	59.4 Å²	59.4	54%	0.544	30%	0.297	S	S	.	.	H	α-helix	trans	-71.4	-40.7	-173	-170.8	-100.5	0	0	0	112	F447 S453 L678	F447-F451 HydrophobicContact CE1-CB 4.17Å; F447-F451 HydrophobicContact CE1-CD2 4.45Å; F447-F451 HydrophobicContact CE1-CG 4.24Å; F447-F451 HydrophobicContact CE2-CD2 4.4Å; F447-F451 HydrophobicContact CZ-CB 4.2Å; F447-F451 AromaticContact CZ-CD2 3.86Å; F447-F451 HydrophobicContact CZ-CD2 3.86Å; F447-F451 HydrophobicContact CZ-CG 4.1Å; F447-F451 VanDerWaalsContact O-CB 3.28Å; F447-F451 WeakPolarHBondContact O-CB 3.43Å; F447-F451 PolarHBondContact O-N 2.96Å; F451-S453 PolarHBondContact O-N 2.74Å; F451-L678 HydrophobicContact CE1-CD1 4.15Å
452	F	75.3	Confident	80.5	Confident	27 Å²	27	58.7 Å²	58.7	12%	0.118	29%	0.292	C	S	.	.			trans	-85.7	78.8	179.4	-63.7	-69.6	0	0	0	111.5	T448 E454 I455 Y675 L678	T448-F452 HydrophobicContact CG2-CD2 3.76Å; T448-F452 HydrophobicContact CG2-CE2 3.91Å; T448-F452 VanDerWaalsContact O-CD2 3.23Å; T448-F452 WeakPolarHBondContact O-CD2 3.4Å; T448-F452 PolarHBondContact O-N 3.46Å; F452-E454 PolarHBondContact O-N 2.94Å; F452-E454 VanDerWaalsContact O-N 3.16Å; F452-I455 HydrophobicContact CB-CB 4.16Å; F452-I455 HydrophobicContact CB-CD1 3.35Å; F452-I455 HydrophobicContact CB-CG1 3.72Å; F452-I455 HydrophobicContact CD1-CD1 4.35Å; F452-I455 HydrophobicContact CD2-CD1 4.08Å; F452-I455 HydrophobicContact CG-CD1 3.7Å; F452-I455 PolarHBondContact O-N 3.37Å; F452-Y675 HydrophobicContact CE2-CE1 4.35Å; F452-L678 HydrophobicContact CE1-CB 4.45Å; F452-L678 HydrophobicContact CE1-CD1 3.99Å; F452-L678 HydrophobicContact CZ-CB 4.46Å; F452-L678 HydrophobicContact CZ-CD1 4.24Å; F452-L678 HydrophobicContact CZ-CD2 4.26Å
453	S	66.1	Low	80.2	Confident	81 Å²	81	59.2 Å²	59.2	57%	0.566	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-55.5	-29.1	175.8	-174.7	0	0	0	0	113	F451 I455 Q456	F451-S453 PolarHBondContact O-N 2.74Å; S453-I455 VanDerWaalsContact C-N 3.27Å; S453-I455 PolarHBondContact O-N 2.94Å; S453-Q456 WeakPolarHBondContact O-CB 3.31Å; S453-Q456 WeakPolarHBondContact O-CG 2.99Å; S453-Q456 PolarHBondContact O-N 3.44Å
454	E	67.3	Low	80	Confident	170 Å²	170	59.7 Å²	59.7	79%	0.794	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-70.8	-18.8	178.5	-66	-171.5	160.5	0	0	113.5	F452	F452-E454 PolarHBondContact O-N 2.94Å; F452-E454 VanDerWaalsContact O-N 3.16Å
455	I	68.2	Low	80.1	Confident	29 Å²	29	56.7 Å²	56.7	15%	0.149	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-92.9	2.2	-178.9	-53	173.4	0	0	0	111.4	F452 S453 S457 T460 I671 E674	F452-I455 HydrophobicContact CB-CB 4.16Å; F452-I455 HydrophobicContact CB-CD1 3.35Å; F452-I455 HydrophobicContact CB-CG1 3.72Å; F452-I455 HydrophobicContact CD1-CD1 4.35Å; F452-I455 HydrophobicContact CD2-CD1 4.08Å; F452-I455 HydrophobicContact CG-CD1 3.7Å; F452-I455 PolarHBondContact O-N 3.37Å; S453-I455 VanDerWaalsContact C-N 3.27Å; S453-I455 PolarHBondContact O-N 2.94Å; I455-S457 PolarHBondContact O-N 3.3Å; I455-S457 VanDerWaalsContact O-N 3.13Å; I455-T460 HydrophobicContact CG2-CG2 4.17Å; I455-T460 PolarHBondContact O-OG1 3.36Å; I455-I671 HydrophobicContact CD1-CG1 4.48Å; I455-E674 HydrophobicContact CD1-CB 3.75Å; I455-E674 HydrophobicContact CD1-CG 3.58Å; I455-E674 HydrophobicContact CG1-CG 3.87Å
456	Q	70.6	Confident	80.2	Confident	120 Å²	120	56.8 Å²	56.8	56%	0.561	27%	0.274	S	S	*	.			trans	-68.2	113.6	-177.7	-70.9	-174.3	8.2	0	0	111.8	S453	S453-Q456 WeakPolarHBondContact O-CB 3.31Å; S453-Q456 WeakPolarHBondContact O-CG 2.99Å; S453-Q456 PolarHBondContact O-N 3.44Å
457	S	77.1	Confident	80.3	Confident	66 Å²	66	55.2 Å²	55.2	46%	0.462	27%	0.266	S	S	.	.			trans	-136.4	156.6	178.8	178	0	0	0	0	107.8	I455 R459 T460 T461	I455-S457 PolarHBondContact O-N 3.3Å; I455-S457 VanDerWaalsContact O-N 3.13Å; S457-R459 PolarHBondContact O-N 3.24Å; S457-T460 PolarHBondContact N-OG1 3.09Å; S457-T460 PolarHBondContact O-N 3.38Å; S457-T460 PolarHBondContact O-OG1 3.32Å; S457-T461 PolarHBondContact O-N 2.68Å; S457-T461 PolarHBondContact O-OG1 3.13Å
458	T	77.8	Confident	80.6	Confident	34 Å²	34	51.5 Å²	51.5	21%	0.209	25%	0.254	C	S	.	.	H	α-helix	trans	-49	-36.3	173.7	-51.7	0	0	0	0	112.2	I462 F533	T458-I462 HydrophobicContact CG2-CD1 4.43Å; T458-I462 WeakPolarHBondContact O-CD1 3.22Å; T458-I462 VanDerWaalsContact O-CG1 3.32Å; T458-I462 WeakPolarHBondContact O-CG1 3.17Å; T458-I462 PolarHBondContact O-N 3.12Å; T458-I462 VanDerWaalsContact O-N 3.13Å; T458-F533 HydrophobicContact CG2-CD2 4.49Å; T458-F533 HydrophobicContact CG2-CE2 4.24Å
459	R	76.8	Confident	81	Confident	65 Å²	65	51.5 Å²	51.5	25%	0.245	25%	0.254	C	S	.	.	H	α-helix	trans	-66.7	-49.5	175.6	178.2	-170.6	-63.1	-115.9	-5	113.4	S457 T461 I462 H463 C616	S457-R459 PolarHBondContact O-N 3.24Å; R459-T461 PolarHBondContact O-N 3.03Å; R459-I462 WeakPolarHBondContact O-CB 3.42Å; R459-I462 PolarHBondContact O-N 3.27Å; R459-I462 VanDerWaalsContact O-N 3.12Å; R459-H463 WeakPolarHBondContact CG-NE2 3.3Å; R459-H463 PolarHBondContact O-CD2 3.21Å; R459-H463 PolarHBondContact O-N 3.4Å; R459-C616 VanDerWaalsContact NH1-CB 3.32Å; R459-C616 PolarHBondContact NH1-SG 2.88Å; R459-C616 PolarHBondContact NH2-SG 3.31Å
460	T	79.8	Confident	81.4	Confident	22 Å²	22	51 Å²	51	14%	0.135	25%	0.252	C	S	.	.	H	α-helix	trans	-69.4	-27.1	-178.1	47.8	0	0	0	0	110.8	F449 I455 S457 K464	F449-T460 HydrophobicContact CD1-CG2 4.43Å; F449-T460 HydrophobicContact CE1-CG2 4.26Å; I455-T460 HydrophobicContact CG2-CG2 4.17Å; I455-T460 PolarHBondContact O-OG1 3.36Å; S457-T460 PolarHBondContact N-OG1 3.09Å; S457-T460 PolarHBondContact O-N 3.38Å; S457-T460 PolarHBondContact O-OG1 3.32Å; T460-K464 VanDerWaalsContact O-CB 3.26Å; T460-K464 WeakPolarHBondContact O-CB 3.42Å; T460-K464 PolarHBondContact O-N 3.09Å
461	T	84.8	Confident	82	Confident	22 Å²	22	45 Å²	45	14%	0.135	23%	0.231	C	C	.	.	H	α-helix	trans	-64.1	-44.5	167	-55.7	0	0	0	0	112.6	S457 R459 K464 N465 Y534	S457-T461 PolarHBondContact O-N 2.68Å; S457-T461 PolarHBondContact O-OG1 3.13Å; R459-T461 PolarHBondContact O-N 3.03Å; T461-K464 WeakPolarHBondContact O-CB 3.31Å; T461-K464 PolarHBondContact O-N 2.7Å; T461-N465 PolarHBondContact O-N 2.77Å; T461-N465 PolarHBondContact O-ND2 3.44Å; T461-N465 VanDerWaalsContact O-ND2 3.1Å; T461-Y534 HydrophobicContact CG2-CE2 4.03Å; T461-Y534 WeakPolarHBondContact CG2-OH 3.48Å
462	I	86.3	Confident	82.6	Confident	3 Å²	3	42 Å²	42	2%	0.015	22%	0.221	C	C	.	.	H	α-helix	trans	-60.3	-49.4	175.2	-69.1	161	0	0	0	110.4	T458 R459 K464 N465 L466 W507 I510 E511 H514 F533	T458-I462 HydrophobicContact CG2-CD1 4.43Å; T458-I462 WeakPolarHBondContact O-CD1 3.22Å; T458-I462 VanDerWaalsContact O-CG1 3.32Å; T458-I462 WeakPolarHBondContact O-CG1 3.17Å; T458-I462 PolarHBondContact O-N 3.12Å; T458-I462 VanDerWaalsContact O-N 3.13Å; R459-I462 WeakPolarHBondContact O-CB 3.42Å; R459-I462 PolarHBondContact O-N 3.27Å; R459-I462 VanDerWaalsContact O-N 3.12Å; I462-K464 VanDerWaalsContact C-N 3.33Å; I462-K464 PolarHBondContact O-N 3.39Å; I462-N465 PolarHBondContact O-N 2.98Å; I462-L466 PolarHBondContact O-N 3.07Å; I462-W507 HydrophobicContact CB-CE3 4.49Å; I462-W507 HydrophobicContact CG1-CE3 4.37Å; I462-W507 HydrophobicContact CG1-CZ3 4.18Å; I462-W507 HydrophobicContact CG2-CE3 4.21Å; I462-I510 HydrophobicContact CD1-CG2 3.88Å; I462-I510 HydrophobicContact CG1-CG2 4.06Å; I462-E511 HydrophobicContact CG2-CB 3.91Å; I462-E511 HydrophobicContact CG2-CG 4.45Å; I462-H514 HydrophobicContact CD1-CB 3.99Å; I462-F533 HydrophobicContact CD1-CD2 4.43Å; I462-F533 HydrophobicContact CD1-CE2 4.25Å
463	H	84.4	Confident	83.4	Confident	11 Å²	11	40.7 Å²	40.7	5%	0.051	22%	0.215	C	C	.	.	H	α-helix	trans	-62.3	-38	177.2	-63.2	-36.3	0	0	0	112.5	F449 R459 N465 L466 C467 E511 L664	F449-H463 HydrophobicContact CE2-CB 3.98Å; F449-H463 HydrophobicContact CZ-CB 4.27Å; R459-H463 WeakPolarHBondContact CG-NE2 3.3Å; R459-H463 PolarHBondContact O-CD2 3.21Å; R459-H463 PolarHBondContact O-N 3.4Å; H463-N465 PolarHBondContact O-N 2.9Å; H463-L466 PolarHBondContact O-N 2.89Å; H463-C467 WeakPolarHBondContact O-CB 3.31Å; H463-C467 PolarHBondContact O-N 3.15Å; H463-C467 PolarHBondContact O-SG 3.36Å; H463-E511 IonicContact CE1-OE1 2.66Å; H463-E511 PolarHBondContact CE1-OE1 2.61Å; H463-E511 VanDerWaalsContact CE1-OE1 3.31Å; H463-E511 IonicContact CE1-OE2 3.33Å; H463-E511 PolarHBondContact CE1-OE2 3.13Å; H463-E511 IonicContact ND1-OE2 3.85Å; H463-E511 PolarHBondContact ND1-OE2 3.19Å; H463-L664 HydrophobicContact CB-CD1 4.09Å
464	K	87.6	Confident	84.5	Confident	54 Å²	54	37.7 Å²	37.7	24%	0.235	19%	0.192	C	C	.	.	H	α-helix	trans	-58.5	-47.1	174.7	-172.1	-173.4	81.1	179.5	0	111.4	F449 T460 T461 I462 C468	F449-K464 HydrophobicContact CB-CB 4.46Å; F449-K464 HydrophobicContact CB-CG 4.49Å; F449-K464 HydrophobicContact CD2-CB 4.47Å; T460-K464 VanDerWaalsContact O-CB 3.26Å; T460-K464 WeakPolarHBondContact O-CB 3.42Å; T460-K464 PolarHBondContact O-N 3.09Å; T461-K464 WeakPolarHBondContact O-CB 3.31Å; T461-K464 PolarHBondContact O-N 2.7Å; I462-K464 VanDerWaalsContact C-N 3.33Å; I462-K464 PolarHBondContact O-N 3.39Å; K464-C468 WeakPolarHBondContact O-CB 3.47Å; K464-C468 PolarHBondContact O-N 3.33Å
465	N	89.9	Confident	85.7	Confident	11 Å²	11	33 Å²	33	6%	0.059	17%	0.172	C	C	.	.	H	α-helix	trans	-70.6	-34.6	-179.6	-62.8	-37.5	0	0	0	112.2	T461 I462 H463 S469 W507 Y534	T461-N465 PolarHBondContact O-N 2.77Å; T461-N465 PolarHBondContact O-ND2 3.44Å; T461-N465 VanDerWaalsContact O-ND2 3.1Å; I462-N465 PolarHBondContact O-N 2.98Å; H463-N465 PolarHBondContact O-N 2.9Å; N465-S469 WeakPolarHBondContact O-CB 3.38Å; N465-S469 PolarHBondContact O-N 3.42Å; N465-S469 PolarHBondContact O-OG 3.48Å; N465-W507 HydrophobicContact CB-CD2 3.69Å; N465-W507 HydrophobicContact CB-CE3 4.08Å; N465-W507 HydrophobicContact CB-CG 4.17Å; N465-W507 HydrophobicContact CB-CH2 4.21Å; N465-W507 HydrophobicContact CB-CZ2 3.82Å; N465-W507 HydrophobicContact CB-CZ3 4.32Å; N465-W507 WeakPolarHBondContact ND2-CH2 3.39Å; N465-W507 WeakPolarHBondContact ND2-CZ2 3.21Å; N465-Y534 PolarHBondContact ND2-OH 2.63Å; N465-Y534 PolarHBondContact OD1-OH 3.32Å
466	L	88.9	Confident	86.8	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-61.3	-53.1	172	178.4	64.7	0	0	0	111.1	I462 H463 C468 S469 L470 A504 W507	I462-L466 PolarHBondContact O-N 3.07Å; H463-L466 PolarHBondContact O-N 2.89Å; L466-C468 VanDerWaalsContact C-N 3.32Å; L466-C468 PolarHBondContact O-N 2.92Å; L466-S469 PolarHBondContact O-N 3.17Å; L466-L470 HydrophobicContact CD1-CD1 4.33Å; L466-L470 HydrophobicContact CG-CD1 4.37Å; L466-L470 PolarHBondContact O-N 3.44Å; L466-A504 HydrophobicContact CD1-CB 4.16Å; L466-A504 VanDerWaalsContact CD1-O 3.24Å; L466-A504 WeakPolarHBondContact CD1-O 3.43Å; L466-W507 HydrophobicContact CB-CB 4.24Å; L466-W507 HydrophobicContact CD1-CB 4.3Å
467	C	90.4	Very high	87.6	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.2	-39	178.3	-66.7	0	0	0	0	112	L442 C445 I446 H463 L470 F471	L442-C467 HydrophobicContact CD2-CB 4.3Å; C445-C467 VanDerWaalsContact SG-SG 3.65Å; I446-C467 HydrophobicContact CG1-CB 3.98Å; H463-C467 WeakPolarHBondContact O-CB 3.31Å; H463-C467 PolarHBondContact O-N 3.15Å; H463-C467 PolarHBondContact O-SG 3.36Å; C467-L470 PolarHBondContact O-N 3.19Å; C467-F471 VanDerWaalsContact O-CB 3.25Å; C467-F471 WeakPolarHBondContact O-CB 3.37Å; C467-F471 PolarHBondContact O-N 3.46Å
468	C	92.3	Very high	88.1	Confident	45 Å²	45	29.5 Å²	29.5	30%	0.304	15%	0.15	S	C	.	.	H	α-helix	trans	-65	-41.2	176.7	-175.8	0	0	0	0	112.2	I446 K464 L466 F471 L472	I446-C468 HydrophobicContact CD1-CB 4.5Å; K464-C468 WeakPolarHBondContact O-CB 3.47Å; K464-C468 PolarHBondContact O-N 3.33Å; L466-C468 VanDerWaalsContact C-N 3.32Å; L466-C468 PolarHBondContact O-N 2.92Å; C468-F471 PolarHBondContact O-N 2.94Å; C468-L472 WeakPolarHBondContact O-CG 3.1Å; C468-L472 PolarHBondContact O-N 3Å
469	S	92.4	Very high	88.4	Confident	2 Å²	2	31.4 Å²	31.4	1%	0.014	16%	0.161	C	C	.	.	H	α-helix	trans	-66.7	-41.4	178.2	-55.1	0	0	0	0	111.8	N465 L466 A473	N465-S469 WeakPolarHBondContact O-CB 3.38Å; N465-S469 PolarHBondContact O-N 3.42Å; N465-S469 PolarHBondContact O-OG 3.48Å; L466-S469 PolarHBondContact O-N 3.17Å; S469-A473 WeakPolarHBondContact O-CB 3.25Å; S469-A473 PolarHBondContact O-N 2.92Å
470	L	91.2	Very high	88.6	Confident	2 Å²	2	28.6 Å²	28.6	1%	0.01	15%	0.152	C	C	.	.	H	α-helix	trans	-67.5	-42	175.4	-71.6	173.1	0	0	0	112.5	L442 L466 C467 L472 A473 E474 A504 L627 I660	L442-L470 HydrophobicContact CD1-CB 4.23Å; L466-L470 HydrophobicContact CD1-CD1 4.33Å; L466-L470 HydrophobicContact CG-CD1 4.37Å; L466-L470 PolarHBondContact O-N 3.44Å; C467-L470 PolarHBondContact O-N 3.19Å; L470-L472 VanDerWaalsContact C-N 3.34Å; L470-L472 PolarHBondContact O-N 3.45Å; L470-A473 PolarHBondContact O-N 3.38Å; L470-E474 WeakPolarHBondContact O-CB 3.41Å; L470-E474 WeakPolarHBondContact O-CG 3.32Å; L470-E474 PolarHBondContact O-N 2.81Å; L470-A504 HydrophobicContact CD2-CB 3.67Å; L470-A504 HydrophobicContact CG-CB 3.95Å; L470-L627 HydrophobicContact CD1-CD2 4.48Å; L470-L627 HydrophobicContact CD2-CD2 4.4Å; L470-I660 HydrophobicContact CD1-CD1 3.51Å
471	F	94	Very high	88.3	Confident	56 Å²	56	29.9 Å²	29.9	25%	0.246	16%	0.158	C	C	.	.	H	α-helix	trans	-58.6	-45.8	175.5	177.1	-91.5	0	0	0	111.8	L439 L442 A443 I446 C467 C468 L475	L439-F471 HydrophobicContact CB-CE2 4.35Å; L439-F471 HydrophobicContact CD2-CD2 3.56Å; L439-F471 HydrophobicContact CD2-CE2 3.67Å; L439-F471 HydrophobicContact CD2-CG 4.23Å; L439-F471 HydrophobicContact CD2-CZ 4.42Å; L442-F471 HydrophobicContact CB-CB 4.45Å; L442-F471 HydrophobicContact CB-CD2 4.24Å; L442-F471 HydrophobicContact CD1-CB 4.48Å; A443-F471 HydrophobicContact CB-CE2 4.24Å; I446-F471 HydrophobicContact CD1-CB 4Å; I446-F471 HydrophobicContact CD1-CG 4.21Å; C467-F471 VanDerWaalsContact O-CB 3.25Å; C467-F471 WeakPolarHBondContact O-CB 3.37Å; C467-F471 PolarHBondContact O-N 3.46Å; C468-F471 PolarHBondContact O-N 2.94Å; F471-L475 HydrophobicContact CE1-CD2 4.39Å; F471-L475 VanDerWaalsContact O-CB 3.28Å; F471-L475 WeakPolarHBondContact O-CB 3.14Å; F471-L475 PolarHBondContact O-N 2.94Å
472	L	93.6	Very high	87.4	Confident	61 Å²	61	35.5 Å²	35.5	32%	0.319	19%	0.187	S	C	.	.	H	α-helix	trans	-66.2	-39.1	176.9	-70.2	171.6	0	0	0	112	C468 L470 V476 F500	C468-L472 WeakPolarHBondContact O-CG 3.1Å; C468-L472 PolarHBondContact O-N 3Å; L470-L472 VanDerWaalsContact C-N 3.34Å; L470-L472 PolarHBondContact O-N 3.45Å; L472-V476 WeakPolarHBondContact O-CB 3.32Å; L472-V476 WeakPolarHBondContact O-CG2 3.37Å; L472-V476 PolarHBondContact O-N 3.34Å; L472-F500 HydrophobicContact CB-CD1 4Å; L472-F500 HydrophobicContact CB-CD2 4.31Å; L472-F500 HydrophobicContact CB-CE1 3.88Å; L472-F500 HydrophobicContact CB-CE2 4.2Å; L472-F500 HydrophobicContact CB-CG 4.24Å; L472-F500 HydrophobicContact CB-CZ 3.99Å; L472-F500 HydrophobicContact CD1-CD1 4.36Å; L472-F500 HydrophobicContact CD1-CE1 3.66Å; L472-F500 HydrophobicContact CD1-CZ 4.05Å; L472-F500 HydrophobicContact CG-CE1 4.4Å
473	A	91.5	Very high	86.4	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.7	-49.2	175.2	0	0	0	0	0	112	S469 L470 L475 V476 F477 L497 F500 F501	S469-A473 WeakPolarHBondContact O-CB 3.25Å; S469-A473 PolarHBondContact O-N 2.92Å; L470-A473 PolarHBondContact O-N 3.38Å; A473-L475 PolarHBondContact O-N 3.42Å; A473-V476 PolarHBondContact O-N 3.04Å; A473-F477 WeakPolarHBondContact O-CB 3.37Å; A473-F477 PolarHBondContact O-N 3.2Å; A473-L497 WeakPolarHBondContact O-CD2 3.35Å; A473-F500 HydrophobicContact CB-CB 3.74Å; A473-F501 HydrophobicContact CB-CD1 4.08Å; A473-F501 HydrophobicContact CB-CE1 3.84Å; A473-F501 HydrophobicContact CB-CE2 4.34Å; A473-F501 HydrophobicContact CB-CG 4.43Å; A473-F501 HydrophobicContact CB-CZ 3.99Å
474	E	90.3	Very high	85.5	Confident	17 Å²	17	40.9 Å²	40.9	8%	0.079	22%	0.218	C	C	.	.	H	α-helix	trans	-64.5	-38.9	179.9	-74.2	178.4	-155.7	0	0	112	I435 S438 L439 L470 F477 L478	I435-E474 HydrophobicContact CG2-CB 4.26Å; S438-E474 WeakPolarHBondContact CB-OE2 3.45Å; S438-E474 VanDerWaalsContact OG-CD 3.31Å; S438-E474 PolarHBondContact OG-OE1 3Å; S438-E474 PolarHBondContact OG-OE2 3.32Å; L439-E474 HydrophobicContact CD2-CB 3.83Å; L439-E474 HydrophobicContact CG-CB 4.35Å; L470-E474 WeakPolarHBondContact O-CB 3.41Å; L470-E474 WeakPolarHBondContact O-CG 3.32Å; L470-E474 PolarHBondContact O-N 2.81Å; E474-F477 PolarHBondContact O-N 3.43Å; E474-L478 WeakPolarHBondContact O-CB 3.3Å; E474-L478 PolarHBondContact O-N 3.46Å
475	L	90.8	Very high	84.3	Confident	71 Å²	71	44.2 Å²	44.2	37%	0.372	24%	0.243	S	C	.	.	H	α-helix	trans	-63.9	-47	175.3	-177.4	68.2	0	0	0	111.7	L439 F471 A473 F477 L478 V479	L439-L475 HydrophobicContact CD2-CB 4.44Å; F471-L475 HydrophobicContact CE1-CD2 4.39Å; F471-L475 VanDerWaalsContact O-CB 3.28Å; F471-L475 WeakPolarHBondContact O-CB 3.14Å; F471-L475 PolarHBondContact O-N 2.94Å; A473-L475 PolarHBondContact O-N 3.42Å; L475-F477 VanDerWaalsContact C-N 3.28Å; L475-F477 PolarHBondContact O-N 3.23Å; L475-L478 PolarHBondContact O-N 3.32Å; L475-V479 WeakPolarHBondContact O-CG2 3.42Å; L475-V479 PolarHBondContact O-N 3.32Å; L475-V479 VanDerWaalsContact O-N 3.07Å
476	V	91.4	Very high	83.8	Confident	21 Å²	21	48.7 Å²	48.7	13%	0.127	27%	0.267	C	S	.	.	H	α-helix	trans	-62.9	-37.8	177.1	172.3	0	0	0	0	110.6	L472 A473 V479 G480 I493 L496 L497 F500	L472-V476 WeakPolarHBondContact O-CB 3.32Å; L472-V476 WeakPolarHBondContact O-CG2 3.37Å; L472-V476 PolarHBondContact O-N 3.34Å; A473-V476 PolarHBondContact O-N 3.04Å; V476-V479 PolarHBondContact O-N 3.44Å; V476-G480 PolarHBondContact O-N 3.38Å; V476-I493 HydrophobicContact CG1-CD1 3.87Å; V476-I493 HydrophobicContact CG1-CG2 4Å; V476-L496 HydrophobicContact CG1-CB 4.13Å; V476-L497 HydrophobicContact CB-CD2 3.83Å; V476-L497 HydrophobicContact CB-CG 4.39Å; V476-L497 HydrophobicContact CG1-CD1 4.44Å; V476-L497 HydrophobicContact CG1-CD2 3.67Å; V476-L497 HydrophobicContact CG1-CG 3.67Å; V476-F500 HydrophobicContact CG2-CD2 4.43Å; V476-F500 HydrophobicContact CG2-CE2 4.17Å
477	F	88.4	Confident	83.4	Confident	70 Å²	70	56.2 Å²	56.2	31%	0.307	30%	0.299	S	S	.	.	H	α-helix	trans	-66.3	-42	177.9	-175.3	-91.9	0	0	0	111.4	I435 A473 E474 L475 V479 G480 I481 L497	I435-F477 HydrophobicContact CD1-CD1 3.5Å; I435-F477 HydrophobicContact CD1-CE1 3.71Å; A473-F477 WeakPolarHBondContact O-CB 3.37Å; A473-F477 PolarHBondContact O-N 3.2Å; E474-F477 PolarHBondContact O-N 3.43Å; L475-F477 VanDerWaalsContact C-N 3.28Å; L475-F477 PolarHBondContact O-N 3.23Å; F477-V479 VanDerWaalsContact C-N 3.35Å; F477-V479 PolarHBondContact O-N 3.37Å; F477-G480 PolarHBondContact O-N 3.24Å; F477-I481 HydrophobicContact CE1-CD1 4.32Å; F477-I481 PolarHBondContact O-N 3.37Å; F477-I481 VanDerWaalsContact O-N 3.1Å; F477-L497 HydrophobicContact CB-CD2 3.87Å; F477-L497 HydrophobicContact CD2-CD1 4.24Å
478	L	86.9	Confident	83.1	Confident	52 Å²	52	62.6 Å²	62.6	27%	0.272	33%	0.333	S	S	.	.	H	α-helix	trans	-62.2	-40.2	176	-175.1	65.2	0	0	0	112.2	I435 L439 E474 L475 G480 I481	I435-L478 HydrophobicContact CG2-CB 4.33Å; L439-L478 HydrophobicContact CD1-CD2 4.04Å; E474-L478 WeakPolarHBondContact O-CB 3.3Å; E474-L478 PolarHBondContact O-N 3.46Å; L475-L478 PolarHBondContact O-N 3.32Å; L478-G480 VanDerWaalsContact C-N 3.35Å; L478-I481 WeakPolarHBondContact O-CG2 3.17Å
479	V	85.1	Confident	82.7	Confident	74 Å²	74	64.3 Å²	64.3	45%	0.448	34%	0.335	S	S	.	.	H	α-helix	trans	-67.7	-36.7	174.8	173.4	0	0	0	0	111.4	L475 V476 F477 T483 F489	L475-V479 WeakPolarHBondContact O-CG2 3.42Å; L475-V479 PolarHBondContact O-N 3.32Å; L475-V479 VanDerWaalsContact O-N 3.07Å; V476-V479 PolarHBondContact O-N 3.44Å; F477-V479 VanDerWaalsContact C-N 3.35Å; F477-V479 PolarHBondContact O-N 3.37Å; V479-T483 PolarHBondContact O-OG1 3.16Å; V479-F489 HydrophobicContact CG1-CZ 4.17Å
480	G	79.4	Confident	82.4	Confident	6 Å²	6	64.5 Å²	64.5	6%	0.062	34%	0.336	C	S	.	.	H	α-helix	trans	-75.1	-20.5	-177.3	0	0	0	0	0	115.8	V476 F477 L478 N482	V476-G480 PolarHBondContact O-N 3.38Å; F477-G480 PolarHBondContact O-N 3.24Å; L478-G480 VanDerWaalsContact C-N 3.35Å; G480-N482 VanDerWaalsContact C-N 3.3Å; G480-N482 PolarHBondContact O-N 3.23Å
481	I	74.1	Confident	82.2	Confident	49 Å²	49	65.8 Å²	65.8	25%	0.251	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-25.3	-171.3	-155.8	168.5	0	0	0	114	T428 F477 L478	T428-I481 HydrophobicContact CG2-CD1 4.3Å; F477-I481 HydrophobicContact CE1-CD1 4.32Å; F477-I481 PolarHBondContact O-N 3.37Å; F477-I481 VanDerWaalsContact O-N 3.1Å; L478-I481 WeakPolarHBondContact O-CG2 3.17Å
482	N	65.9	Low	82.1	Confident	140 Å²	140	67.5 Å²	67.5	75%	0.749	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.6	5.8	-169.3	-160.9	45.8	0	0	0	114.3	G480	G480-N482 VanDerWaalsContact C-N 3.3Å; G480-N482 PolarHBondContact O-N 3.23Å
483	T	65.8	Low	81.9	Confident	47 Å²	47	65.1 Å²	65.1	29%	0.288	34%	0.344	S	S	.	.			trans	-124.4	63.6	-167	46.5	0	0	0	0	112.4	V479 T485 F489	V479-T483 PolarHBondContact O-OG1 3.16Å; T483-T485 VanDerWaalsContact C-N 3.35Å; T483-T485 PolarHBondContact O-N 2.98Å; T483-F489 VanDerWaalsContact OG1-CE1 3.31Å; T483-F489 WeakPolarHBondContact OG1-CE1 3.46Å
484	N	64.4	Low	81.8	Confident	80 Å²	80	65.1 Å²	65.1	43%	0.428	34%	0.344	S	S	.	.			trans	-87.3	7.7	-176.8	-65.8	-14.4	0	0	0	114.8	K560	N484-K560 PolarHBondContact ND2-O 3.33Å
485	T	64	Low	81.9	Confident	124 Å²	124	65 Å²	65	76%	0.761	35%	0.348	S	S	*	.	S	Bend	trans	-80.1	-30.7	-168.9	52.4	0	0	0	0	113.8	T483	T483-T485 VanDerWaalsContact C-N 3.35Å; T483-T485 PolarHBondContact O-N 2.98Å
486	N	78.9	Confident	82	Confident	105 Å²	105	65 Å²	65	56%	0.561	35%	0.347	S	S	*	.			trans	-116	112.5	-175.8	-73.3	-33.5	0	0	0	111.4	L488 F489 C490	N486-L488 VanDerWaalsContact C-N 3.26Å; N486-L488 PolarHBondContact O-N 3.39Å; N486-F489 HydrophobicContact CB-CB 3.82Å; N486-F489 WeakPolarHBondContact O-CB 3.32Å; N486-F489 PolarHBondContact O-N 2.96Å; N486-F489 VanDerWaalsContact O-N 3.1Å; N486-C490 WeakPolarHBondContact O-CB 3.29Å; N486-C490 PolarHBondContact O-N 2.88Å
487	K	79.9	Confident	82	Confident	158 Å²	158	64.1 Å²	64.1	69%	0.687	34%	0.342	S	S	*	.	H	α-helix	trans	-56.2	-38.4	179.3	-173.4	173.4	-178.9	174.9	0	113	S491	K487-S491 WeakPolarHBondContact O-CB 3.29Å; K487-S491 PolarHBondContact O-N 3.49Å
488	L	83.7	Confident	82.2	Confident	134 Å²	134	60.8 Å²	60.8	70%	0.702	33%	0.327	S	S	*	.	H	α-helix	trans	-64.5	-44.8	177.4	-176.9	66.4	0	0	0	111.8	N486 S491 I492	N486-L488 VanDerWaalsContact C-N 3.26Å; N486-L488 PolarHBondContact O-N 3.39Å; L488-S491 PolarHBondContact O-N 3.33Å; L488-I492 HydrophobicContact CG-CD1 4.22Å; L488-I492 WeakPolarHBondContact O-CG1 3.44Å; L488-I492 PolarHBondContact O-N 3.14Å; L488-I492 VanDerWaalsContact O-N 3.08Å
489	F	85.2	Confident	82.6	Confident	82 Å²	82	61.1 Å²	61.1	36%	0.36	33%	0.325	S	S	.	.	H	α-helix	trans	-62.4	-46.2	178.3	-175.6	-98.3	0	0	0	111.1	V479 T483 N486 S491 I492 I493	V479-F489 HydrophobicContact CG1-CZ 4.17Å; T483-F489 VanDerWaalsContact OG1-CE1 3.31Å; T483-F489 WeakPolarHBondContact OG1-CE1 3.46Å; N486-F489 HydrophobicContact CB-CB 3.82Å; N486-F489 WeakPolarHBondContact O-CB 3.32Å; N486-F489 PolarHBondContact O-N 2.96Å; N486-F489 VanDerWaalsContact O-N 3.1Å; F489-S491 VanDerWaalsContact C-N 3.3Å; F489-S491 PolarHBondContact O-N 3.01Å; F489-I492 PolarHBondContact O-N 3.2Å; F489-I493 HydrophobicContact CD1-CG1 4.13Å; F489-I493 HydrophobicContact CE1-CD1 4.23Å; F489-I493 HydrophobicContact CE1-CG1 3.79Å; F489-I493 HydrophobicContact CZ-CD1 4.07Å; F489-I493 HydrophobicContact CZ-CG1 4.08Å; F489-I493 WeakPolarHBondContact O-CG1 3.12Å; F489-I493 PolarHBondContact O-N 3.05Å
490	C	86	Confident	83.1	Confident	5 Å²	5	59 Å²	59	3%	0.034	31%	0.31	C	S	.	.	H	α-helix	trans	-60.8	-37.7	178	-162.9	0	0	0	0	112.7	N486 A494 C562	N486-C490 WeakPolarHBondContact O-CB 3.29Å; N486-C490 PolarHBondContact O-N 2.88Å; C490-A494 WeakPolarHBondContact O-CB 3.2Å; C490-A494 PolarHBondContact O-N 3.41Å; C490-C562 WeakPolarHBondContact CA-SG 3.33Å; C490-C562 HydrophobicContact CB-CB 4.06Å; C490-C562 WeakPolarHBondContact CB-SG 3.22Å; C490-C562 WeakPolarHBondContact SG-CA 3.2Å; C490-C562 WeakPolarHBondContact SG-CB 3.45Å; C490-C562 CovalentContact SG-SG 2.04Å; C490-C562 PolarHBondContact SG-SG 3.18Å
491	S	87.8	Confident	83.6	Confident	30 Å²	30	59.9 Å²	59.9	21%	0.21	31%	0.312	C	S	.	.	H	α-helix	trans	-67.7	-42.7	176	-165.5	0	0	0	0	112.5	K487 L488 F489 A494 G495 Y556	K487-S491 WeakPolarHBondContact O-CB 3.29Å; K487-S491 PolarHBondContact O-N 3.49Å; L488-S491 PolarHBondContact O-N 3.33Å; F489-S491 VanDerWaalsContact C-N 3.3Å; F489-S491 PolarHBondContact O-N 3.01Å; S491-A494 PolarHBondContact O-N 3.21Å; S491-G495 PolarHBondContact O-N 3.15Å; S491-Y556 WeakPolarHBondContact CA-O 3.2Å; S491-Y556 VanDerWaalsContact CB-O 3.25Å; S491-Y556 WeakPolarHBondContact CB-O 3.25Å; S491-Y556 VanDerWaalsContact OG-CB 3.29Å; S491-Y556 WeakPolarHBondContact OG-CB 3.48Å; S491-Y556 PolarHBondContact OG-O 3.06Å
492	I	90.1	Very high	84.4	Confident	91 Å²	91	57.8 Å²	57.8	47%	0.467	30%	0.302	S	S	.	.	H	α-helix	trans	-63.2	-45.8	176.1	-67	166.4	0	0	0	110.6	L488 F489 A494 G495 L496	L488-I492 HydrophobicContact CG-CD1 4.22Å; L488-I492 WeakPolarHBondContact O-CG1 3.44Å; L488-I492 PolarHBondContact O-N 3.14Å; L488-I492 VanDerWaalsContact O-N 3.08Å; F489-I492 PolarHBondContact O-N 3.2Å; I492-A494 PolarHBondContact O-N 3.13Å; I492-G495 PolarHBondContact O-N 2.66Å; I492-L496 HydrophobicContact CG2-CD1 4.05Å; I492-L496 HydrophobicContact CG2-CG 4.4Å; I492-L496 WeakPolarHBondContact O-CG 3.31Å; I492-L496 PolarHBondContact O-N 3.37Å
493	I	90.7	Very high	85.7	Confident	12 Å²	12	51.1 Å²	51.1	6%	0.062	27%	0.266	C	S	.	.	H	α-helix	trans	-58.8	-47.2	176.6	-68.5	-66.9	0	0	0	110.8	V476 F489 G495 L496 L497 C562	V476-I493 HydrophobicContact CG1-CD1 3.87Å; V476-I493 HydrophobicContact CG1-CG2 4Å; F489-I493 HydrophobicContact CD1-CG1 4.13Å; F489-I493 HydrophobicContact CE1-CD1 4.23Å; F489-I493 HydrophobicContact CE1-CG1 3.79Å; F489-I493 HydrophobicContact CZ-CD1 4.07Å; F489-I493 HydrophobicContact CZ-CG1 4.08Å; F489-I493 WeakPolarHBondContact O-CG1 3.12Å; F489-I493 PolarHBondContact O-N 3.05Å; I493-G495 VanDerWaalsContact C-N 3.29Å; I493-G495 PolarHBondContact O-N 2.98Å; I493-L496 PolarHBondContact O-N 2.82Å; I493-L497 HydrophobicContact CG2-CD1 3.87Å; I493-L497 HydrophobicContact CG2-CG 4.42Å; I493-L497 VanDerWaalsContact O-CG 3.31Å; I493-L497 WeakPolarHBondContact O-CG 3.36Å; I493-L497 PolarHBondContact O-N 3.4Å; I493-C562 HydrophobicContact CG2-CB 4.28Å
494	A	89.5	Confident	86.9	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60	-39.2	176.7	0	0	0	0	0	112.3	C490 S491 I492 H498 Y556	C490-A494 WeakPolarHBondContact O-CB 3.2Å; C490-A494 PolarHBondContact O-N 3.41Å; S491-A494 PolarHBondContact O-N 3.21Å; I492-A494 PolarHBondContact O-N 3.13Å; A494-H498 WeakPolarHBondContact O-CB 3.24Å; A494-H498 PolarHBondContact O-N 3.49Å; A494-Y556 HydrophobicContact CB-CD1 4.13Å
495	G	91.9	Very high	88.1	Confident	15 Å²	15	45.2 Å²	45.2	16%	0.155	23%	0.233	C	C	.	.	H	α-helix	trans	-64	-46.9	175.1	0	0	0	0	0	113.4	S491 I492 I493 H498 Y499	S491-G495 PolarHBondContact O-N 3.15Å; I492-G495 PolarHBondContact O-N 2.66Å; I493-G495 VanDerWaalsContact C-N 3.29Å; I493-G495 PolarHBondContact O-N 2.98Å; G495-H498 PolarHBondContact O-N 3.27Å; G495-Y499 PolarHBondContact O-N 3.4Å; G495-Y499 VanDerWaalsContact O-N 3.1Å
496	L	92.9	Very high	89.4	Confident	70 Å²	70	39.4 Å²	39.4	37%	0.366	20%	0.197	S	C	.	.	H	α-helix	trans	-62.6	-43.6	177.8	-72.8	174.2	0	0	0	111.6	V476 I492 I493 Y499 F500	V476-L496 HydrophobicContact CG1-CB 4.13Å; I492-L496 HydrophobicContact CG2-CD1 4.05Å; I492-L496 HydrophobicContact CG2-CG 4.4Å; I492-L496 WeakPolarHBondContact O-CG 3.31Å; I492-L496 PolarHBondContact O-N 3.37Å; I493-L496 PolarHBondContact O-N 2.82Å; L496-Y499 PolarHBondContact O-N 3.48Å; L496-F500 HydrophobicContact CB-CD2 4.39Å; L496-F500 HydrophobicContact CB-CE2 4.21Å; L496-F500 HydrophobicContact CD2-CE2 4.29Å; L496-F500 WeakPolarHBondContact O-CD2 3.18Å; L496-F500 PolarHBondContact O-N 3.47Å
497	L	91.4	Very high	90	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-65	-43	177.9	-66.4	166.6	0	0	0	112.2	A473 V476 F477 I493 Y499 F500 F501 W563	A473-L497 WeakPolarHBondContact O-CD2 3.35Å; V476-L497 HydrophobicContact CB-CD2 3.83Å; V476-L497 HydrophobicContact CB-CG 4.39Å; V476-L497 HydrophobicContact CG1-CD1 4.44Å; V476-L497 HydrophobicContact CG1-CD2 3.67Å; V476-L497 HydrophobicContact CG1-CG 3.67Å; F477-L497 HydrophobicContact CB-CD2 3.87Å; F477-L497 HydrophobicContact CD2-CD1 4.24Å; I493-L497 HydrophobicContact CG2-CD1 3.87Å; I493-L497 HydrophobicContact CG2-CG 4.42Å; I493-L497 VanDerWaalsContact O-CG 3.31Å; I493-L497 WeakPolarHBondContact O-CG 3.36Å; I493-L497 PolarHBondContact O-N 3.4Å; L497-Y499 PolarHBondContact O-N 2.93Å; L497-F500 PolarHBondContact O-N 2.95Å; L497-F501 HydrophobicContact CB-CD2 4.28Å; L497-F501 HydrophobicContact CB-CE2 4.28Å; L497-F501 HydrophobicContact CD2-CE2 4.1Å; L497-F501 WeakPolarHBondContact O-CD2 3.36Å; L497-F501 PolarHBondContact O-N 2.92Å; L497-W563 HydrophobicContact CB-CE3 4.12Å; L497-W563 HydrophobicContact CB-CH2 4.13Å; L497-W563 HydrophobicContact CB-CZ3 3.33Å; L497-W563 HydrophobicContact CD1-CE3 3.8Å; L497-W563 HydrophobicContact CD1-CZ3 3.75Å; L497-W563 HydrophobicContact CG-CZ3 4.1Å
498	H	92.5	Very high	90.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-54.2	-45.4	175.1	-169.3	178.8	0	0	0	110.8	A494 G495 L502 V545 Y556 L564 S573 F574	A494-H498 WeakPolarHBondContact O-CB 3.24Å; A494-H498 PolarHBondContact O-N 3.49Å; G495-H498 PolarHBondContact O-N 3.27Å; H498-L502 VanDerWaalsContact CD2-CD1 3.47Å; H498-L502 WeakPolarHBondContact CD2-CD1 3.47Å; H498-L502 WeakPolarHBondContact NE2-CD1 3.4Å; H498-L502 WeakPolarHBondContact O-CB 3.48Å; H498-L502 WeakPolarHBondContact O-CG 3.22Å; H498-L502 PolarHBondContact O-N 3.01Å; H498-V545 HydrophobicContact CB-CG2 4.25Å; H498-Y556 HydrophobicContact CB-CE1 4.28Å; H498-Y556 AromaticContact ND1-CE1 3.71Å; H498-Y556 AromaticContact ND1-CZ 3.71Å; H498-Y556 PolarHBondContact ND1-OH 2.91Å; H498-L564 HydrophobicContact CB-CD1 4.01Å; H498-S573 PolarHBondContact CE1-OG 3.28Å; H498-F574 AromaticContact CD2-CD2 3.71Å
499	Y	95.1	Very high	90.5	Very high	59 Å²	59	21.2 Å²	21.2	23%	0.231	11%	0.108	C	C	.	.	H	α-helix	trans	-64.5	-51.4	177.8	174.6	-103.4	0	0	0	113.1	G495 L496 L497 F501 L502 A503 Y538 P541 A542	G495-Y499 PolarHBondContact O-N 3.4Å; G495-Y499 VanDerWaalsContact O-N 3.1Å; L496-Y499 PolarHBondContact O-N 3.48Å; L497-Y499 PolarHBondContact O-N 2.93Å; Y499-F501 PolarHBondContact O-N 3.42Å; Y499-L502 PolarHBondContact O-N 2.91Å; Y499-A503 WeakPolarHBondContact O-CB 3.34Å; Y499-A503 PolarHBondContact O-N 3.36Å; Y499-Y538 WeakPolarHBondContact OH-CD1 3.37Å; Y499-P541 HydrophobicContact CD2-CB 3.91Å; Y499-P541 HydrophobicContact CE2-CB 3.94Å; Y499-A542 HydrophobicContact CD2-CB 4.48Å; Y499-A542 HydrophobicContact CE2-CB 3.92Å
500	F	95	Very high	90.6	Very high	30 Å²	30	17.4 Å²	17.4	13%	0.132	9%	0.092	C	C	.	.	H	α-helix	trans	-67.1	-37	-174.8	-70.7	-58.6	0	0	0	113.2	L472 A473 V476 L496 L497 A503 A504	L472-F500 HydrophobicContact CB-CD1 4Å; L472-F500 HydrophobicContact CB-CD2 4.31Å; L472-F500 HydrophobicContact CB-CE1 3.88Å; L472-F500 HydrophobicContact CB-CE2 4.2Å; L472-F500 HydrophobicContact CB-CG 4.24Å; L472-F500 HydrophobicContact CB-CZ 3.99Å; L472-F500 HydrophobicContact CD1-CD1 4.36Å; L472-F500 HydrophobicContact CD1-CE1 3.66Å; L472-F500 HydrophobicContact CD1-CZ 4.05Å; L472-F500 HydrophobicContact CG-CE1 4.4Å; A473-F500 HydrophobicContact CB-CB 3.74Å; V476-F500 HydrophobicContact CG2-CD2 4.43Å; V476-F500 HydrophobicContact CG2-CE2 4.17Å; L496-F500 HydrophobicContact CB-CD2 4.39Å; L496-F500 HydrophobicContact CB-CE2 4.21Å; L496-F500 HydrophobicContact CD2-CE2 4.29Å; L496-F500 WeakPolarHBondContact O-CD2 3.18Å; L496-F500 PolarHBondContact O-N 3.47Å; L497-F500 PolarHBondContact O-N 2.95Å; F500-A503 PolarHBondContact O-N 3Å; F500-A504 PolarHBondContact O-N 2.94Å
501	F	91.3	Very high	90.5	Very high	24 Å²	24	17.8 Å²	17.8	11%	0.105	9%	0.093	C	C	.	.	H	α-helix	trans	-67.9	-42.2	175.4	-75	-58.4	0	0	0	112.2	A473 L497 Y499 A503 A504 F505 W563 F574 W631	A473-F501 HydrophobicContact CB-CD1 4.08Å; A473-F501 HydrophobicContact CB-CE1 3.84Å; A473-F501 HydrophobicContact CB-CE2 4.34Å; A473-F501 HydrophobicContact CB-CG 4.43Å; A473-F501 HydrophobicContact CB-CZ 3.99Å; L497-F501 HydrophobicContact CB-CD2 4.28Å; L497-F501 HydrophobicContact CB-CE2 4.28Å; L497-F501 HydrophobicContact CD2-CE2 4.1Å; L497-F501 WeakPolarHBondContact O-CD2 3.36Å; L497-F501 PolarHBondContact O-N 2.92Å; Y499-F501 PolarHBondContact O-N 3.42Å; F501-A503 VanDerWaalsContact C-N 3.31Å; F501-A503 PolarHBondContact O-N 3.48Å; F501-A504 WeakPolarHBondContact O-CB 2.98Å; F501-A504 PolarHBondContact O-N 3.4Å; F501-F505 WeakPolarHBondContact O-CD2 3.36Å; F501-F505 PolarHBondContact O-N 2.75Å; F501-F505 VanDerWaalsContact O-N 3.09Å; F501-W563 AromaticContact CD2-CH2 3.71Å; F501-W563 HydrophobicContact CD2-CH2 3.71Å; F501-W563 HydrophobicContact CD2-CZ3 4.1Å; F501-W563 AromaticContact CE2-CH2 3.98Å; F501-W563 HydrophobicContact CE2-CH2 3.98Å; F501-W563 AromaticContact CE2-CZ3 3.99Å; F501-W563 HydrophobicContact CE2-CZ3 3.99Å; F501-F574 HydrophobicContact CB-CE2 3.9Å; F501-F574 HydrophobicContact CB-CZ 4.3Å; F501-W631 HydrophobicContact CB-CZ2 4.27Å; F501-W631 HydrophobicContact CD1-CH2 4.3Å; F501-W631 AromaticContact CD1-CZ2 3.58Å; F501-W631 HydrophobicContact CD1-CZ2 3.58Å; F501-W631 HydrophobicContact CD2-CH2 4.27Å; F501-W631 HydrophobicContact CD2-CZ2 4.34Å; F501-W631 AromaticContact CE1-CZ2 3.89Å; F501-W631 HydrophobicContact CE1-CZ2 3.89Å; F501-W631 HydrophobicContact CG-CH2 4.14Å; F501-W631 AromaticContact CG-CZ2 3.83Å; F501-W631 HydrophobicContact CG-CZ2 3.83Å; F501-W631 HydrophobicContact CZ-CZ2 4.38Å
502	L	91.3	Very high	90.3	Very high	5 Å²	5	16.4 Å²	16.4	3%	0.026	8%	0.084	C	C	.	.	H	α-helix	trans	-64.1	-36.5	173.5	-75.8	178.3	0	0	0	112.3	H498 Y499 F505 A506 P541 V544 V545 F574 P577	H498-L502 VanDerWaalsContact CD2-CD1 3.47Å; H498-L502 WeakPolarHBondContact CD2-CD1 3.47Å; H498-L502 WeakPolarHBondContact NE2-CD1 3.4Å; H498-L502 WeakPolarHBondContact O-CB 3.48Å; H498-L502 WeakPolarHBondContact O-CG 3.22Å; H498-L502 PolarHBondContact O-N 3.01Å; Y499-L502 PolarHBondContact O-N 2.91Å; L502-F505 PolarHBondContact O-N 2.87Å; L502-A506 WeakPolarHBondContact O-CB 3.16Å; L502-A506 PolarHBondContact O-N 3.31Å; L502-P541 HydrophobicContact CB-CB 3.85Å; L502-P541 HydrophobicContact CB-CG 4.31Å; L502-V544 HydrophobicContact CD1-CB 4.21Å; L502-V544 HydrophobicContact CD1-CG1 3.81Å; L502-V545 HydrophobicContact CD1-CG2 4.1Å; L502-F574 HydrophobicContact CD2-CD2 3.92Å; L502-F574 HydrophobicContact CD2-CE2 4.08Å; L502-F574 HydrophobicContact CG-CD2 3.94Å; L502-F574 HydrophobicContact CG-CE2 4.16Å; L502-P577 HydrophobicContact CD2-CB 4.15Å
503	A	93.3	Very high	89.9	Confident	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-63.5	-40.6	173.5	0	0	0	0	0	112.1	Y499 F500 F501 F505 A506 W507 Y538 P541	Y499-A503 WeakPolarHBondContact O-CB 3.34Å; Y499-A503 PolarHBondContact O-N 3.36Å; F500-A503 PolarHBondContact O-N 3Å; F501-A503 VanDerWaalsContact C-N 3.31Å; F501-A503 PolarHBondContact O-N 3.48Å; A503-F505 PolarHBondContact O-N 2.92Å; A503-A506 PolarHBondContact O-N 3.36Å; A503-W507 PolarHBondContact O-N 3.43Å; A503-Y538 HydrophobicContact CB-CD1 4.37Å; A503-Y538 HydrophobicContact CB-CE1 4.48Å; A503-P541 HydrophobicContact CB-CB 4.41Å; A503-P541 HydrophobicContact CB-CG 4.03Å
504	A	91	Very high	89.4	Confident	1 Å²	1	14.9 Å²	14.9	1%	0.008	8%	0.076	C	C	.	.	H	α-helix	trans	-60.2	-44	173.9	0	0	0	0	0	111.8	L466 L470 F500 F501 W507 M508	L466-A504 HydrophobicContact CD1-CB 4.16Å; L466-A504 VanDerWaalsContact CD1-O 3.24Å; L466-A504 WeakPolarHBondContact CD1-O 3.43Å; L470-A504 HydrophobicContact CD2-CB 3.67Å; L470-A504 HydrophobicContact CG-CB 3.95Å; F500-A504 PolarHBondContact O-N 2.94Å; F501-A504 WeakPolarHBondContact O-CB 2.98Å; F501-A504 PolarHBondContact O-N 3.4Å; A504-W507 PolarHBondContact O-N 3.39Å; A504-M508 PolarHBondContact O-N 2.95Å
505	F	88.9	Confident	88.8	Confident	2 Å²	2	15.1 Å²	15.1	1%	0.009	8%	0.077	C	C	.	.	H	α-helix	trans	-63.5	-40.9	174.1	-76.7	-64.6	0	0	0	112.9	F501 L502 A503 M508 C509 F574 A578 I581 I582 W631	F501-F505 WeakPolarHBondContact O-CD2 3.36Å; F501-F505 PolarHBondContact O-N 2.75Å; F501-F505 VanDerWaalsContact O-N 3.09Å; L502-F505 PolarHBondContact O-N 2.87Å; A503-F505 PolarHBondContact O-N 2.92Å; F505-M508 HydrophobicContact CD1-CE 4.13Å; F505-M508 HydrophobicContact CE1-CE 4.39Å; F505-M508 PolarHBondContact O-N 3.1Å; F505-C509 PolarHBondContact O-N 3.19Å; F505-F574 HydrophobicContact CE2-CE2 4.45Å; F505-F574 HydrophobicContact CE2-CZ 4.01Å; F505-A578 HydrophobicContact CD2-CB 4.19Å; F505-A578 HydrophobicContact CE2-CB 4.03Å; F505-A578 HydrophobicContact CZ-CB 4.34Å; F505-I581 HydrophobicContact CB-CD1 4.08Å; F505-I581 HydrophobicContact CB-CG2 4.21Å; F505-I581 WeakPolarHBondContact O-CG2 3.48Å; F505-I582 HydrophobicContact CD1-CG1 4.4Å; F505-I582 HydrophobicContact CE1-CD1 3.93Å; F505-I582 HydrophobicContact CE1-CG1 4.13Å; F505-I582 HydrophobicContact CZ-CD1 4.48Å; F505-W631 HydrophobicContact CE2-CD2 4.17Å; F505-W631 AromaticContact CE2-CE2 3.93Å; F505-W631 HydrophobicContact CE2-CG 4.29Å; F505-W631 HydrophobicContact CE2-CZ2 4.43Å; F505-W631 AromaticContact CE2-NE1 3.93Å; F505-W631 HydrophobicContact CZ-CB 4.19Å; F505-W631 AromaticContact CZ-CD1 3.37Å; F505-W631 AromaticContact CZ-CD2 3.91Å; F505-W631 HydrophobicContact CZ-CD2 3.91Å; F505-W631 AromaticContact CZ-CE2 3.89Å; F505-W631 AromaticContact CZ-CG 3.54Å; F505-W631 HydrophobicContact CZ-CG 3.54Å; F505-W631 AromaticContact CZ-NE1 3.54Å
506	A	91.3	Very high	88.2	Confident	2 Å²	2	18.4 Å²	18.4	2%	0.017	9%	0.085	C	C	.	.	H	α-helix	trans	-63	-42.9	177	0	0	0	0	0	111.9	L502 A503 C509 I510 P541	L502-A506 WeakPolarHBondContact O-CB 3.16Å; L502-A506 PolarHBondContact O-N 3.31Å; A503-A506 PolarHBondContact O-N 3.36Å; A506-C509 VanDerWaalsContact O-CB 3.28Å; A506-C509 WeakPolarHBondContact O-CB 3.41Å; A506-C509 PolarHBondContact O-N 3.47Å; A506-I510 WeakPolarHBondContact O-CG1 3.01Å; A506-I510 PolarHBondContact O-N 3.07Å; A506-P541 HydrophobicContact CB-CG 4.06Å
507	W	91.4	Very high	87.5	Confident	1 Å²	1	17 Å²	17	0%	0.004	8%	0.078	C	C	.	.	H	α-helix	trans	-66.6	-35.4	175.8	-79.8	109.9	0	0	0	113.1	I462 N465 L466 A503 A504 I510 E511 F533 Y534 Y538	I462-W507 HydrophobicContact CB-CE3 4.49Å; I462-W507 HydrophobicContact CG1-CE3 4.37Å; I462-W507 HydrophobicContact CG1-CZ3 4.18Å; I462-W507 HydrophobicContact CG2-CE3 4.21Å; N465-W507 HydrophobicContact CB-CD2 3.69Å; N465-W507 HydrophobicContact CB-CE3 4.08Å; N465-W507 HydrophobicContact CB-CG 4.17Å; N465-W507 HydrophobicContact CB-CH2 4.21Å; N465-W507 HydrophobicContact CB-CZ2 3.82Å; N465-W507 HydrophobicContact CB-CZ3 4.32Å; N465-W507 WeakPolarHBondContact ND2-CH2 3.39Å; N465-W507 WeakPolarHBondContact ND2-CZ2 3.21Å; L466-W507 HydrophobicContact CB-CB 4.24Å; L466-W507 HydrophobicContact CD1-CB 4.3Å; A503-W507 PolarHBondContact O-N 3.43Å; A504-W507 PolarHBondContact O-N 3.39Å; W507-I510 HydrophobicContact CD2-CD1 4.17Å; W507-I510 HydrophobicContact CE3-CB 4.44Å; W507-I510 HydrophobicContact CE3-CD1 3.73Å; W507-I510 HydrophobicContact CE3-CG2 4.45Å; W507-I510 HydrophobicContact CH2-CD1 4.48Å; W507-I510 HydrophobicContact CZ3-CD1 3.92Å; W507-I510 HydrophobicContact CZ3-CG2 4.47Å; W507-I510 PolarHBondContact O-N 3.21Å; W507-E511 PolarHBondContact O-N 3.1Å; W507-F533 HydrophobicContact CZ3-CB 4.42Å; W507-Y534 HydrophobicContact CH2-CD1 4.17Å; W507-Y534 HydrophobicContact CH2-CD2 4.07Å; W507-Y534 HydrophobicContact CH2-CE1 4.29Å; W507-Y534 HydrophobicContact CH2-CE2 4.17Å; W507-Y534 HydrophobicContact CH2-CG 4.08Å; W507-Y534 HydrophobicContact CZ2-CD1 4.14Å; W507-Y534 HydrophobicContact CZ2-CE1 4.32Å; W507-Y534 HydrophobicContact CZ2-CG 4.41Å; W507-Y538 AromaticContact CE2-CE2 3.79Å; W507-Y538 AromaticContact CZ2-CD2 3.85Å; W507-Y538 HydrophobicContact CZ2-CD2 3.85Å; W507-Y538 AromaticContact CZ2-CE2 3.47Å; W507-Y538 HydrophobicContact CZ2-CE2 3.47Å; W507-Y538 VanDerWaalsContact CZ2-CE2 3.47Å; W507-Y538 AromaticContact NE1-CD2 3.99Å; W507-Y538 AromaticContact NE1-CE1 3.61Å; W507-Y538 AromaticContact NE1-CE2 3.53Å; W507-Y538 AromaticContact NE1-CZ 3.32Å; W507-Y538 VanDerWaalsContact NE1-CZ 3.32Å
508	M	87	Confident	86.7	Confident	7 Å²	7	20.3 Å²	20.3	3%	0.034	10%	0.095	C	C	.	.	H	α-helix	trans	-65.9	-38.4	170.2	-174.9	-156.8	-54.5	0	0	112	A504 F505 I510 E511 G512 L624 L627	A504-M508 PolarHBondContact O-N 2.95Å; F505-M508 HydrophobicContact CD1-CE 4.13Å; F505-M508 HydrophobicContact CE1-CE 4.39Å; F505-M508 PolarHBondContact O-N 3.1Å; M508-I510 VanDerWaalsContact C-N 3.33Å; M508-I510 PolarHBondContact O-N 3.45Å; M508-E511 WeakPolarHBondContact O-CB 3.38Å; M508-E511 PolarHBondContact O-N 3.25Å; M508-E511 VanDerWaalsContact O-N 3.16Å; M508-G512 PolarHBondContact O-N 3.45Å; M508-L624 HydrophobicContact SD-CD1 4.18Å; M508-L627 HydrophobicContact CE-CB 3.16Å; M508-L627 HydrophobicContact CE-CD1 3.98Å; M508-L627 HydrophobicContact CE-CD2 3.28Å; M508-L627 HydrophobicContact CE-CG 3.61Å; M508-L627 HydrophobicContact SD-CB 4.49Å
509	C	86.6	Confident	85.7	Confident	7 Å²	7	21.9 Å²	21.9	5%	0.047	10%	0.104	C	C	.	.	H	α-helix	trans	-58.9	-46	173	-163.5	0	0	0	0	111.9	F505 A506 E511 G512 I513 I581 N585	F505-C509 PolarHBondContact O-N 3.19Å; A506-C509 VanDerWaalsContact O-CB 3.28Å; A506-C509 WeakPolarHBondContact O-CB 3.41Å; A506-C509 PolarHBondContact O-N 3.47Å; C509-E511 VanDerWaalsContact C-N 3.27Å; C509-E511 PolarHBondContact O-N 2.62Å; C509-G512 PolarHBondContact O-N 3.32Å; C509-I513 WeakPolarHBondContact O-CG1 3.45Å; C509-I513 PolarHBondContact O-N 3.44Å; C509-I581 HydrophobicContact CB-CG2 3.7Å; C509-N585 WeakPolarHBondContact CA-ND2 3.28Å; C509-N585 WeakPolarHBondContact CA-OD1 3.35Å
510	I	87.9	Confident	84.8	Confident	3 Å²	3	21.2 Å²	21.2	2%	0.015	11%	0.106	C	C	.	.	H	α-helix	trans	-60	-39.8	174.9	-66.9	165.2	0	0	0	110.6	I462 A506 W507 M508 I513 H514 F533 F536	I462-I510 HydrophobicContact CD1-CG2 3.88Å; I462-I510 HydrophobicContact CG1-CG2 4.06Å; A506-I510 WeakPolarHBondContact O-CG1 3.01Å; A506-I510 PolarHBondContact O-N 3.07Å; W507-I510 HydrophobicContact CD2-CD1 4.17Å; W507-I510 HydrophobicContact CE3-CB 4.44Å; W507-I510 HydrophobicContact CE3-CD1 3.73Å; W507-I510 HydrophobicContact CE3-CG2 4.45Å; W507-I510 HydrophobicContact CH2-CD1 4.48Å; W507-I510 HydrophobicContact CZ3-CD1 3.92Å; W507-I510 HydrophobicContact CZ3-CG2 4.47Å; W507-I510 PolarHBondContact O-N 3.21Å; M508-I510 VanDerWaalsContact C-N 3.33Å; M508-I510 PolarHBondContact O-N 3.45Å; I510-I513 PolarHBondContact O-N 2.88Å; I510-H514 WeakPolarHBondContact O-CB 3.23Å; I510-H514 PolarHBondContact O-N 2.71Å; I510-F533 HydrophobicContact CD1-CB 4.34Å; I510-F533 WeakPolarHBondContact CD1-O 3.49Å; I510-F533 HydrophobicContact CG2-CB 4.16Å; I510-F533 HydrophobicContact CG2-CD1 3.74Å; I510-F533 HydrophobicContact CG2-CD2 3.88Å; I510-F533 HydrophobicContact CG2-CE1 3.93Å; I510-F533 HydrophobicContact CG2-CE2 4.07Å; I510-F533 HydrophobicContact CG2-CG 3.68Å; I510-F533 HydrophobicContact CG2-CZ 4.06Å; I510-F536 HydrophobicContact CD1-CD1 3.95Å; I510-F536 HydrophobicContact CG1-CD1 3.77Å; I510-F536 HydrophobicContact CG1-CE1 4.33Å
511	E	83.7	Confident	83.3	Confident	12 Å²	12	22.5 Å²	22.5	6%	0.056	13%	0.128	C	C	.	.	H	α-helix	trans	-60.1	-47	175	-170.5	-175.6	150.9	0	0	112.1	I462 H463 W507 M508 C509 H514 L515 L623	I462-E511 HydrophobicContact CG2-CB 3.91Å; I462-E511 HydrophobicContact CG2-CG 4.45Å; H463-E511 IonicContact CE1-OE1 2.66Å; H463-E511 PolarHBondContact CE1-OE1 2.61Å; H463-E511 VanDerWaalsContact CE1-OE1 3.31Å; H463-E511 IonicContact CE1-OE2 3.33Å; H463-E511 PolarHBondContact CE1-OE2 3.13Å; H463-E511 IonicContact ND1-OE2 3.85Å; H463-E511 PolarHBondContact ND1-OE2 3.19Å; W507-E511 PolarHBondContact O-N 3.1Å; M508-E511 WeakPolarHBondContact O-CB 3.38Å; M508-E511 PolarHBondContact O-N 3.25Å; M508-E511 VanDerWaalsContact O-N 3.16Å; C509-E511 VanDerWaalsContact C-N 3.27Å; C509-E511 PolarHBondContact O-N 2.62Å; E511-H514 PolarHBondContact O-N 2.68Å; E511-L515 WeakPolarHBondContact O-CB 3.29Å; E511-L515 PolarHBondContact O-N 2.96Å; E511-L623 WeakPolarHBondContact OE1-CD1 3.2Å
512	G	82.6	Confident	82.3	Confident	1 Å²	1	25.2 Å²	25.2	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-60.6	-46.1	176.9	0	0	0	0	0	112.6	M508 C509 L515 Y516	M508-G512 PolarHBondContact O-N 3.45Å; C509-G512 PolarHBondContact O-N 3.32Å; G512-L515 PolarHBondContact O-N 2.85Å; G512-Y516 PolarHBondContact O-N 3.49Å
513	I	82.8	Confident	80.7	Confident	60 Å²	60	33.3 Å²	33.3	31%	0.308	19%	0.188	S	C	.	.	H	α-helix	trans	-65.7	-43.2	177.1	-66.1	167.5	0	0	0	111.2	C509 I510 L515 Y516 L517	C509-I513 WeakPolarHBondContact O-CG1 3.45Å; C509-I513 PolarHBondContact O-N 3.44Å; I510-I513 PolarHBondContact O-N 2.88Å; I513-L515 VanDerWaalsContact C-N 3.32Å; I513-L515 PolarHBondContact O-N 3.14Å; I513-Y516 WeakPolarHBondContact O-CB 3.37Å; I513-Y516 PolarHBondContact O-N 3.04Å; I513-L517 HydrophobicContact CG2-CD1 4.14Å; I513-L517 HydrophobicContact CG2-CG 4.39Å; I513-L517 WeakPolarHBondContact O-CG 3.34Å; I513-L517 PolarHBondContact O-N 2.93Å
514	H	80.6	Confident	79.4	Confident	11 Å²	11	36.6 Å²	36.6	5%	0.051	20%	0.201	C	C	.	.	H	α-helix	trans	-62.1	-41.4	178.3	175.5	-103.5	0	0	0	111.4	I462 I510 E511 L517 I518 F533	I462-H514 HydrophobicContact CD1-CB 3.99Å; I510-H514 WeakPolarHBondContact O-CB 3.23Å; I510-H514 PolarHBondContact O-N 2.71Å; E511-H514 PolarHBondContact O-N 2.68Å; H514-L517 PolarHBondContact O-N 3.4Å; H514-I518 VanDerWaalsContact CE1-CD1 3.41Å; H514-I518 WeakPolarHBondContact CE1-CD1 3.34Å; H514-I518 WeakPolarHBondContact O-CG1 3.19Å; H514-I518 PolarHBondContact O-N 3.45Å; H514-I518 VanDerWaalsContact O-N 3.15Å; H514-F533 HydrophobicContact CB-CZ 4.32Å
515	L	76.6	Confident	78.4	Confident	5 Å²	5	42.3 Å²	42.3	3%	0.026	23%	0.232	C	C	.	.	H	α-helix	trans	-62.9	-43.2	173.4	-178.3	58.2	0	0	0	111.8	E511 G512 I513 L517 I518 V519 F589 I592 C616 A620	E511-L515 WeakPolarHBondContact O-CB 3.29Å; E511-L515 PolarHBondContact O-N 2.96Å; G512-L515 PolarHBondContact O-N 2.85Å; I513-L515 VanDerWaalsContact C-N 3.32Å; I513-L515 PolarHBondContact O-N 3.14Å; L515-L517 PolarHBondContact O-N 3.48Å; L515-I518 PolarHBondContact O-N 2.96Å; L515-V519 HydrophobicContact CD1-CG2 4.37Å; L515-V519 WeakPolarHBondContact O-CG2 3.38Å; L515-V519 PolarHBondContact O-N 3.45Å; L515-V519 VanDerWaalsContact O-N 3.1Å; L515-F589 HydrophobicContact CD2-CD1 4.41Å; L515-F589 HydrophobicContact CD2-CE1 3.71Å; L515-F589 HydrophobicContact CD2-CZ 4.38Å; L515-I592 HydrophobicContact CB-CD1 4.18Å; L515-I592 HydrophobicContact CD2-CD1 3.93Å; L515-I592 HydrophobicContact CG-CD1 3.75Å; L515-C616 WeakPolarHBondContact CD1-SG 3.12Å; L515-A620 HydrophobicContact CD2-CB 3.73Å
516	Y	79.6	Confident	77.4	Confident	84 Å²	84	49.7 Å²	49.7	33%	0.329	26%	0.264	S	S	.	.	H	α-helix	trans	-59	-46.2	176.5	171	-100.3	0	0	0	111.8	G512 I513 I518 V519 V520 V591 I592	G512-Y516 PolarHBondContact O-N 3.49Å; I513-Y516 WeakPolarHBondContact O-CB 3.37Å; I513-Y516 PolarHBondContact O-N 3.04Å; Y516-I518 VanDerWaalsContact C-N 3.35Å; Y516-I518 PolarHBondContact O-N 3.29Å; Y516-V519 PolarHBondContact O-N 2.86Å; Y516-V520 HydrophobicContact CD1-CG2 4.48Å; Y516-V520 HydrophobicContact CD2-CG2 3.97Å; Y516-V520 HydrophobicContact CE1-CG2 4.11Å; Y516-V520 HydrophobicContact CE2-CG2 3.53Å; Y516-V520 HydrophobicContact CG-CG2 4.42Å; Y516-V520 WeakPolarHBondContact O-CG2 3.48Å; Y516-V520 PolarHBondContact O-N 2.84Å; Y516-V591 HydrophobicContact CD2-CG1 4.38Å; Y516-V591 HydrophobicContact CE2-CB 4.31Å; Y516-V591 HydrophobicContact CE2-CG1 3.75Å; Y516-I592 HydrophobicContact CD2-CG1 4.35Å
517	L	78.3	Confident	76.2	Confident	41 Å²	41	52 Å²	52	22%	0.215	29%	0.288	C	S	.	.	H	α-helix	trans	-63	-38.5	179	-69.4	173.6	0	0	0	112.7	I513 H514 L515 G521 Y524 L529	I513-L517 HydrophobicContact CG2-CD1 4.14Å; I513-L517 HydrophobicContact CG2-CG 4.39Å; I513-L517 WeakPolarHBondContact O-CG 3.34Å; I513-L517 PolarHBondContact O-N 2.93Å; H514-L517 PolarHBondContact O-N 3.4Å; L515-L517 PolarHBondContact O-N 3.48Å; L517-G521 PolarHBondContact O-N 2.98Å; L517-Y524 HydrophobicContact CB-CD1 4.37Å; L517-Y524 HydrophobicContact CB-CE1 3.8Å; L517-Y524 HydrophobicContact CD1-CE1 4.47Å; L517-L529 HydrophobicContact CD1-CD2 4.19Å
518	I	74.4	Confident	75.1	Confident	71 Å²	71	58.6 Å²	58.6	36%	0.364	32%	0.317	S	S	.	.	H	α-helix	trans	-62.2	-46.1	174.4	-70.2	169.4	0	0	0	110.9	H514 L515 Y516 G521	H514-I518 VanDerWaalsContact CE1-CD1 3.41Å; H514-I518 WeakPolarHBondContact CE1-CD1 3.34Å; H514-I518 WeakPolarHBondContact O-CG1 3.19Å; H514-I518 PolarHBondContact O-N 3.45Å; H514-I518 VanDerWaalsContact O-N 3.15Å; L515-I518 PolarHBondContact O-N 2.96Å; Y516-I518 VanDerWaalsContact C-N 3.35Å; Y516-I518 PolarHBondContact O-N 3.29Å; I518-G521 PolarHBondContact O-N 3.18Å
519	V	71.9	Confident	74.4	Confident	34 Å²	34	59.7 Å²	59.7	21%	0.206	32%	0.323	C	S	.	.	H	α-helix	trans	-71.5	-32.3	-177.3	172.5	0	0	0	0	112	L515 Y516 G521 I592 K595 V596	L515-V519 HydrophobicContact CD1-CG2 4.37Å; L515-V519 WeakPolarHBondContact O-CG2 3.38Å; L515-V519 PolarHBondContact O-N 3.45Å; L515-V519 VanDerWaalsContact O-N 3.1Å; Y516-V519 PolarHBondContact O-N 2.86Å; V519-G521 VanDerWaalsContact C-N 3.26Å; V519-G521 PolarHBondContact O-N 3.5Å; V519-I592 HydrophobicContact CG1-CG2 4.46Å; V519-I592 HydrophobicContact CG2-CG2 4.06Å; V519-K595 HydrophobicContact CG1-CB 4.43Å; V519-K595 HydrophobicContact CG1-CD 4.3Å; V519-K595 HydrophobicContact CG1-CG 4.47Å; V519-V596 HydrophobicContact CG1-CG2 4.27Å
520	V	75.7	Confident	73.7	Confident	44 Å²	44	62.4 Å²	62.4	27%	0.267	33%	0.334	S	S	.	.	H	α-helix	trans	-75.6	-18.3	176.8	178.2	0	0	0	0	112.4	Y516 V522 K595	Y516-V520 HydrophobicContact CD1-CG2 4.48Å; Y516-V520 HydrophobicContact CD2-CG2 3.97Å; Y516-V520 HydrophobicContact CE1-CG2 4.11Å; Y516-V520 HydrophobicContact CE2-CG2 3.53Å; Y516-V520 HydrophobicContact CG-CG2 4.42Å; Y516-V520 WeakPolarHBondContact O-CG2 3.48Å; Y516-V520 PolarHBondContact O-N 2.84Å; V520-V522 HydrophobicContact CG1-CG2 3.87Å; V520-K595 HydrophobicContact CG2-CD 4.41Å
521	G	63.7	Low	73.4	Confident	58 Å²	58	69.5 Å²	69.5	60%	0.598	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	27.8	171.5	0	0	0	0	0	113.5	L517 I518 V519 I523	L517-G521 PolarHBondContact O-N 2.98Å; I518-G521 PolarHBondContact O-N 3.18Å; V519-G521 VanDerWaalsContact C-N 3.26Å; V519-G521 PolarHBondContact O-N 3.5Å; G521-I523 PolarHBondContact O-N 3.3Å
522	V	70.2	Confident	73.3	Confident	81 Å²	81	71.8 Å²	71.8	49%	0.491	38%	0.378	S	S	.	.			trans	-79	121.1	174.2	-173.1	0	0	0	0	108.2	V520 Y524	V520-V522 HydrophobicContact CG1-CG2 3.87Å; V522-Y524 WeakPolarHBondContact O-CD1 3.41Å; V522-Y524 PolarHBondContact O-N 3.2Å
523	I	58.4	Low	73.5	Confident	175 Å²	175	72.5 Å²	72.5	90%	0.897	38%	0.381	S	S	*	.			trans	-73.6	106.9	174	-60.1	167	0	0	0	107.4	G521	G521-I523 PolarHBondContact O-N 3.3Å
524	Y	65.2	Low	73.7	Confident	68 Å²	68	73.3 Å²	73.3	27%	0.267	38%	0.38	S	S	.	.			trans	-115.3	154.2	179	57	-98.8	0	0	0	111.9	L517 V522 K526 L529	L517-Y524 HydrophobicContact CB-CD1 4.37Å; L517-Y524 HydrophobicContact CB-CE1 3.8Å; L517-Y524 HydrophobicContact CD1-CE1 4.47Å; V522-Y524 WeakPolarHBondContact O-CD1 3.41Å; V522-Y524 PolarHBondContact O-N 3.2Å; Y524-K526 PolarHBondContact O-N 3.49Å; Y524-L529 HydrophobicContact CD2-CB 4.28Å; Y524-L529 HydrophobicContact CD2-CD2 3.49Å; Y524-L529 VanDerWaalsContact CD2-CD2 3.49Å; Y524-L529 HydrophobicContact CD2-CG 4.49Å; Y524-L529 HydrophobicContact CE2-CD2 3.23Å; Y524-L529 HydrophobicContact CE2-CG 4.49Å; Y524-L529 HydrophobicContact CG-CD2 4.25Å
525	N	69.7	Low	74	Confident	122 Å²	122	76.8 Å²	76.8	65%	0.652	40%	0.398	S	S	*	.			trans	-71.1	112.8	177.5	-171.8	-6.4	0	0	0	110.8	G527 F528 L529	N525-G527 VanDerWaalsContact C-N 3.32Å; N525-G527 PolarHBondContact O-N 2.9Å; N525-G527 PolarHBondContact OD1-N 3.42Å; N525-F528 HydrophobicContact CB-CB 4.31Å; N525-F528 PolarHBondContact O-N 3.22Å; N525-L529 PolarHBondContact O-N 3.1Å
526	K	67.8	Low	74.6	Confident	157 Å²	157	81.1 Å²	81.1	68%	0.683	42%	0.417	S	S	*	.	H	α-helix	trans	-59.4	-36.7	-175.2	-67.6	-179.4	-179.9	174.8	0	113.3	Y524 H530	Y524-K526 PolarHBondContact O-N 3.49Å; K526-H530 PolarHBondContact O-N 3.47Å
527	G	67.1	Low	75.1	Confident	51 Å²	51	77.1 Å²	77.1	53%	0.526	40%	0.402	S	S	.	.	H	α-helix	trans	-73	-41.4	-177.1	0	0	0	0	0	113.6	N525 H530 K531	N525-G527 VanDerWaalsContact C-N 3.32Å; N525-G527 PolarHBondContact O-N 2.9Å; N525-G527 PolarHBondContact OD1-N 3.42Å; G527-H530 PolarHBondContact O-N 3.01Å; G527-K531 PolarHBondContact O-N 3.33Å
528	F	68.4	Low	75.8	Confident	138 Å²	138	78 Å²	78	61%	0.605	40%	0.403	S	S	*	.	H	α-helix	trans	-64.7	-42.8	178	179.6	-105	0	0	0	111.8	N525 N532	N525-F528 HydrophobicContact CB-CB 4.31Å; N525-F528 PolarHBondContact O-N 3.22Å; F528-N532 WeakPolarHBondContact CE1-ND2 3.4Å; F528-N532 VanDerWaalsContact CZ-ND2 3.25Å; F528-N532 WeakPolarHBondContact CZ-ND2 3.44Å; F528-N532 PolarHBondContact O-N 3.15Å
529	L	71.1	Confident	76.6	Confident	31 Å²	31	79.5 Å²	79.5	16%	0.162	41%	0.411	C	S	.	.	H	α-helix	trans	-68.4	-37.1	-179.2	-165.8	68.5	0	0	0	112.2	L517 Y524 N525 K531 N532 F533	L517-L529 HydrophobicContact CD1-CD2 4.19Å; Y524-L529 HydrophobicContact CD2-CB 4.28Å; Y524-L529 HydrophobicContact CD2-CD2 3.49Å; Y524-L529 VanDerWaalsContact CD2-CD2 3.49Å; Y524-L529 HydrophobicContact CD2-CG 4.49Å; Y524-L529 HydrophobicContact CE2-CD2 3.23Å; Y524-L529 HydrophobicContact CE2-CG 4.49Å; Y524-L529 HydrophobicContact CG-CD2 4.25Å; N525-L529 PolarHBondContact O-N 3.1Å; L529-K531 PolarHBondContact O-N 2.94Å; L529-N532 PolarHBondContact O-N 3.39Å; L529-F533 HydrophobicContact CD1-CD1 4.24Å; L529-F533 HydrophobicContact CD1-CE1 3.6Å; L529-F533 HydrophobicContact CD1-CZ 3.79Å; L529-F533 HydrophobicContact CD2-CE1 4.05Å; L529-F533 HydrophobicContact CD2-CE2 3.67Å; L529-F533 HydrophobicContact CD2-CZ 3.33Å; L529-F533 HydrophobicContact CG-CD1 4.17Å; L529-F533 HydrophobicContact CG-CD2 4.19Å; L529-F533 HydrophobicContact CG-CE1 3.6Å; L529-F533 HydrophobicContact CG-CE2 3.62Å; L529-F533 HydrophobicContact CG-CG 4.46Å; L529-F533 HydrophobicContact CG-CZ 3.33Å; L529-F533 WeakPolarHBondContact O-CG 3.19Å; L529-F533 PolarHBondContact O-N 3.43Å
530	H	73.1	Confident	77.6	Confident	63 Å²	63	80.1 Å²	80.1	29%	0.292	42%	0.416	S	S	.	.	H	α-helix	trans	-62.7	-44	179.1	-160	-89.1	0	0	0	111.9	K526 G527 N532 F533 Y534	K526-H530 PolarHBondContact O-N 3.47Å; G527-H530 PolarHBondContact O-N 3.01Å; H530-N532 PolarHBondContact O-N 3.06Å; H530-F533 PolarHBondContact O-N 2.82Å; H530-Y534 AromaticContact CE1-CE2 3.36Å; H530-Y534 WeakPolarHBondContact CE1-CE2 3.26Å; H530-Y534 AromaticContact ND1-CD2 3.94Å; H530-Y534 AromaticContact ND1-CE2 3.73Å; H530-Y534 WeakPolarHBondContact O-CD2 3.24Å; H530-Y534 PolarHBondContact O-N 2.87Å
531	K	80.3	Confident	78.4	Confident	152 Å²	152	78.1 Å²	78.1	66%	0.661	41%	0.405	S	S	*	.	H	α-helix	trans	-63.8	-41.4	176.3	-169.7	177	179.1	-179.1	0	111.7	G527 L529 Y534 I535	G527-K531 PolarHBondContact O-N 3.33Å; L529-K531 PolarHBondContact O-N 2.94Å; K531-Y534 PolarHBondContact O-N 3.44Å; K531-I535 HydrophobicContact CG-CD1 4.37Å; K531-I535 WeakPolarHBondContact O-CG1 3.49Å; K531-I535 PolarHBondContact O-N 3.34Å
532	N	82.8	Confident	79.9	Confident	61 Å²	61	77.3 Å²	77.3	33%	0.326	39%	0.392	S	S	.	.	H	α-helix	trans	-69.6	-32.7	180	-67.7	-3.8	0	0	0	112.8	F528 L529 H530 I535 F536	F528-N532 WeakPolarHBondContact CE1-ND2 3.4Å; F528-N532 VanDerWaalsContact CZ-ND2 3.25Å; F528-N532 WeakPolarHBondContact CZ-ND2 3.44Å; F528-N532 PolarHBondContact O-N 3.15Å; L529-N532 PolarHBondContact O-N 3.39Å; H530-N532 PolarHBondContact O-N 3.06Å; N532-I535 PolarHBondContact O-N 3.38Å; N532-F536 WeakPolarHBondContact O-CB 3.46Å; N532-F536 PolarHBondContact O-N 2.85Å
533	F	86.3	Confident	81.1	Confident	16 Å²	16	77.9 Å²	77.9	7%	0.07	40%	0.396	C	S	.	.	H	α-helix	trans	-63.4	-41.8	174	-72	-18.4	0	0	0	112.7	T458 I462 W507 I510 H514 L529 H530 F536 G537	T458-F533 HydrophobicContact CG2-CD2 4.49Å; T458-F533 HydrophobicContact CG2-CE2 4.24Å; I462-F533 HydrophobicContact CD1-CD2 4.43Å; I462-F533 HydrophobicContact CD1-CE2 4.25Å; W507-F533 HydrophobicContact CZ3-CB 4.42Å; I510-F533 HydrophobicContact CD1-CB 4.34Å; I510-F533 WeakPolarHBondContact CD1-O 3.49Å; I510-F533 HydrophobicContact CG2-CB 4.16Å; I510-F533 HydrophobicContact CG2-CD1 3.74Å; I510-F533 HydrophobicContact CG2-CD2 3.88Å; I510-F533 HydrophobicContact CG2-CE1 3.93Å; I510-F533 HydrophobicContact CG2-CE2 4.07Å; I510-F533 HydrophobicContact CG2-CG 3.68Å; I510-F533 HydrophobicContact CG2-CZ 4.06Å; H514-F533 HydrophobicContact CB-CZ 4.32Å; L529-F533 HydrophobicContact CD1-CD1 4.24Å; L529-F533 HydrophobicContact CD1-CE1 3.6Å; L529-F533 HydrophobicContact CD1-CZ 3.79Å; L529-F533 HydrophobicContact CD2-CE1 4.05Å; L529-F533 HydrophobicContact CD2-CE2 3.67Å; L529-F533 HydrophobicContact CD2-CZ 3.33Å; L529-F533 HydrophobicContact CG-CD1 4.17Å; L529-F533 HydrophobicContact CG-CD2 4.19Å; L529-F533 HydrophobicContact CG-CE1 3.6Å; L529-F533 HydrophobicContact CG-CE2 3.62Å; L529-F533 HydrophobicContact CG-CG 4.46Å; L529-F533 HydrophobicContact CG-CZ 3.33Å; L529-F533 WeakPolarHBondContact O-CG 3.19Å; L529-F533 PolarHBondContact O-N 3.43Å; H530-F533 PolarHBondContact O-N 2.82Å; F533-F536 PolarHBondContact O-N 2.99Å; F533-G537 PolarHBondContact O-N 3.27Å
534	Y	86.7	Confident	82.7	Confident	76 Å²	76	71.5 Å²	71.5	30%	0.298	37%	0.365	S	S	.	.	H	α-helix	trans	-66.3	-40	176.2	-87.8	-92.3	0	0	0	112.5	T461 N465 W507 H530 K531 Y538	T461-Y534 HydrophobicContact CG2-CE2 4.03Å; T461-Y534 WeakPolarHBondContact CG2-OH 3.48Å; N465-Y534 PolarHBondContact ND2-OH 2.63Å; N465-Y534 PolarHBondContact OD1-OH 3.32Å; W507-Y534 HydrophobicContact CH2-CD1 4.17Å; W507-Y534 HydrophobicContact CH2-CD2 4.07Å; W507-Y534 HydrophobicContact CH2-CE1 4.29Å; W507-Y534 HydrophobicContact CH2-CE2 4.17Å; W507-Y534 HydrophobicContact CH2-CG 4.08Å; W507-Y534 HydrophobicContact CZ2-CD1 4.14Å; W507-Y534 HydrophobicContact CZ2-CE1 4.32Å; W507-Y534 HydrophobicContact CZ2-CG 4.41Å; H530-Y534 AromaticContact CE1-CE2 3.36Å; H530-Y534 WeakPolarHBondContact CE1-CE2 3.26Å; H530-Y534 AromaticContact ND1-CD2 3.94Å; H530-Y534 AromaticContact ND1-CE2 3.73Å; H530-Y534 WeakPolarHBondContact O-CD2 3.24Å; H530-Y534 PolarHBondContact O-N 2.87Å; K531-Y534 PolarHBondContact O-N 3.44Å; Y534-Y538 HydrophobicContact CD1-CD2 4.28Å; Y534-Y538 HydrophobicContact CD1-CE2 4.12Å; Y534-Y538 HydrophobicContact CE1-CE2 4.32Å; Y534-Y538 PolarHBondContact O-N 3.11Å
535	I	87.9	Confident	84.1	Confident	84 Å²	84	69.2 Å²	69.2	43%	0.431	36%	0.358	S	S	.	.	H	α-helix	trans	-61	-52.7	174.2	-65.7	168.6	0	0	0	109	K531 N532 G537 L539	K531-I535 HydrophobicContact CG-CD1 4.37Å; K531-I535 WeakPolarHBondContact O-CG1 3.49Å; K531-I535 PolarHBondContact O-N 3.34Å; N532-I535 PolarHBondContact O-N 3.38Å; I535-G537 PolarHBondContact O-N 3.31Å; I535-L539 HydrophobicContact CG2-CB 4.39Å; I535-L539 HydrophobicContact CG2-CD2 3.86Å; I535-L539 WeakPolarHBondContact O-CA 3.44Å; I535-L539 WeakPolarHBondContact O-CB 3.25Å; I535-L539 PolarHBondContact O-N 3.29Å
536	F	88.8	Confident	85.2	Confident	96 Å²	96	65.3 Å²	65.3	42%	0.421	35%	0.346	S	S	.	.	H	α-helix	trans	-63.8	-44.1	-178.6	-174.7	-102	0	0	0	113.2	I510 N532 F533 Y538 S540	I510-F536 HydrophobicContact CD1-CD1 3.95Å; I510-F536 HydrophobicContact CG1-CD1 3.77Å; I510-F536 HydrophobicContact CG1-CE1 4.33Å; N532-F536 WeakPolarHBondContact O-CB 3.46Å; N532-F536 PolarHBondContact O-N 2.85Å; F533-F536 PolarHBondContact O-N 2.99Å; F536-Y538 PolarHBondContact O-N 3.35Å; F536-S540 WeakPolarHBondContact O-CB 3.24Å; F536-S540 PolarHBondContact O-N 3.42Å
537	G	89.3	Confident	86.4	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-65.8	-33.4	-173.4	0	0	0	0	0	114.6	F533 I535 P541	F533-G537 PolarHBondContact O-N 3.27Å; I535-G537 PolarHBondContact O-N 3.31Å; G537-P541 WeakPolarHBondContact O-CD 3.37Å; G537-P541 WeakPolarHBondContact O-CG 3.29Å
538	Y	93.1	Very high	87.5	Confident	61 Å²	61	62.4 Å²	62.4	24%	0.239	32%	0.321	C	S	.	.	H	α-helix	trans	-109.5	-32.9	-179.1	-69.5	-64.4	0	0	0	114	Y499 A503 W507 Y534 F536 A542	Y499-Y538 WeakPolarHBondContact OH-CD1 3.37Å; A503-Y538 HydrophobicContact CB-CD1 4.37Å; A503-Y538 HydrophobicContact CB-CE1 4.48Å; W507-Y538 AromaticContact CE2-CE2 3.79Å; W507-Y538 AromaticContact CZ2-CD2 3.85Å; W507-Y538 HydrophobicContact CZ2-CD2 3.85Å; W507-Y538 AromaticContact CZ2-CE2 3.47Å; W507-Y538 HydrophobicContact CZ2-CE2 3.47Å; W507-Y538 VanDerWaalsContact CZ2-CE2 3.47Å; W507-Y538 AromaticContact NE1-CD2 3.99Å; W507-Y538 AromaticContact NE1-CE1 3.61Å; W507-Y538 AromaticContact NE1-CE2 3.53Å; W507-Y538 AromaticContact NE1-CZ 3.32Å; W507-Y538 VanDerWaalsContact NE1-CZ 3.32Å; Y534-Y538 HydrophobicContact CD1-CD2 4.28Å; Y534-Y538 HydrophobicContact CD1-CE2 4.12Å; Y534-Y538 HydrophobicContact CE1-CE2 4.32Å; Y534-Y538 PolarHBondContact O-N 3.11Å; F536-Y538 PolarHBondContact O-N 3.35Å; Y538-A542 WeakPolarHBondContact O-CB 3.32Å; Y538-A542 PolarHBondContact O-N 3.48Å
539	L	92.2	Very high	88.6	Confident	101 Å²	101	57.7 Å²	57.7	53%	0.529	31%	0.307	S	S	.	.	H	α-helix	trans	-73.6	-39.3	-179.2	-170.2	60.7	0	0	0	112.1	I535 A542 V543	I535-L539 HydrophobicContact CG2-CB 4.39Å; I535-L539 HydrophobicContact CG2-CD2 3.86Å; I535-L539 WeakPolarHBondContact O-CA 3.44Å; I535-L539 WeakPolarHBondContact O-CB 3.25Å; I535-L539 PolarHBondContact O-N 3.29Å; L539-A542 WeakPolarHBondContact O-CB 3.49Å; L539-A542 PolarHBondContact O-N 3.06Å; L539-V543 HydrophobicContact CD1-CG2 4.46Å; L539-V543 HydrophobicContact CG-CG2 4.37Å; L539-V543 WeakPolarHBondContact O-CG2 3.32Å; L539-V543 PolarHBondContact O-N 2.91Å
540	S	91.3	Very high	89.4	Confident	47 Å²	47	60.1 Å²	60.1	33%	0.329	33%	0.332	S	S	.	.	H	α-helix	trans	-59.5	-50.7	180	172	0	0	0	0	112.1	F536 A542 V543 V544	F536-S540 WeakPolarHBondContact O-CB 3.24Å; F536-S540 PolarHBondContact O-N 3.42Å; S540-A542 VanDerWaalsContact C-N 3.32Å; S540-A542 PolarHBondContact O-N 3.45Å; S540-V543 PolarHBondContact O-N 2.68Å; S540-V544 PolarHBondContact O-N 3.39Å
541	P	94.1	Very high	90.1	Very high	3 Å²	3	63.2 Å²	63.2	2%	0.019	35%	0.35	C	S	.	.	H	α-helix	trans	-58.1	-39.6	172.5	-24.4	32.5	0	0	0	113.9	Y499 L502 A503 A506 G537 V543 V544 V545	Y499-P541 HydrophobicContact CD2-CB 3.91Å; Y499-P541 HydrophobicContact CE2-CB 3.94Å; L502-P541 HydrophobicContact CB-CB 3.85Å; L502-P541 HydrophobicContact CB-CG 4.31Å; A503-P541 HydrophobicContact CB-CB 4.41Å; A503-P541 HydrophobicContact CB-CG 4.03Å; A506-P541 HydrophobicContact CB-CG 4.06Å; G537-P541 WeakPolarHBondContact O-CD 3.37Å; G537-P541 WeakPolarHBondContact O-CG 3.29Å; P541-V543 VanDerWaalsContact C-N 3.34Å; P541-V543 PolarHBondContact O-N 3.39Å; P541-V544 PolarHBondContact O-N 3.35Å; P541-V545 WeakPolarHBondContact O-CG2 3.35Å; P541-V545 PolarHBondContact O-N 3.09Å
542	A	94.8	Very high	90.2	Very high	41 Å²	41	56.1 Å²	56.1	34%	0.339	32%	0.32	S	S	.	.	H	α-helix	trans	-63.6	-40	179.9	0	0	0	0	0	112	Y499 Y538 L539 S540 G546	Y499-A542 HydrophobicContact CD2-CB 4.48Å; Y499-A542 HydrophobicContact CE2-CB 3.92Å; Y538-A542 WeakPolarHBondContact O-CB 3.32Å; Y538-A542 PolarHBondContact O-N 3.48Å; L539-A542 WeakPolarHBondContact O-CB 3.49Å; L539-A542 PolarHBondContact O-N 3.06Å; S540-A542 VanDerWaalsContact C-N 3.32Å; S540-A542 PolarHBondContact O-N 3.45Å; A542-G546 PolarHBondContact O-N 3.01Å
543	V	94.3	Very high	90.3	Very high	93 Å²	93	60.2 Å²	60.2	56%	0.564	33%	0.332	S	S	*	.	H	α-helix	trans	-64.9	-45.7	176.9	171.4	0	0	0	0	111	L539 S540 P541 G546 F547	L539-V543 HydrophobicContact CD1-CG2 4.46Å; L539-V543 HydrophobicContact CG-CG2 4.37Å; L539-V543 WeakPolarHBondContact O-CG2 3.32Å; L539-V543 PolarHBondContact O-N 2.91Å; S540-V543 PolarHBondContact O-N 2.68Å; P541-V543 VanDerWaalsContact C-N 3.34Å; P541-V543 PolarHBondContact O-N 3.39Å; V543-G546 PolarHBondContact O-N 2.98Å; V543-F547 WeakPolarHBondContact O-CB 3.49Å; V543-F547 PolarHBondContact O-N 3.23Å
544	V	92.9	Very high	90	Very high	40 Å²	40	68 Å²	68	24%	0.242	36%	0.361	C	S	.	.	H	α-helix	trans	-60.5	-52.1	178.1	174.8	0	0	0	0	110.5	L502 S540 P541 G546 F547 S548 P577	L502-V544 HydrophobicContact CD1-CB 4.21Å; L502-V544 HydrophobicContact CD1-CG1 3.81Å; S540-V544 PolarHBondContact O-N 3.39Å; P541-V544 PolarHBondContact O-N 3.35Å; V544-G546 VanDerWaalsContact C-N 3.33Å; V544-G546 PolarHBondContact O-N 3.12Å; V544-F547 PolarHBondContact O-N 2.85Å; V544-S548 WeakPolarHBondContact O-CB 3.46Å; V544-S548 PolarHBondContact O-N 3.05Å; V544-S548 PolarHBondContact O-OG 2.91Å; V544-P577 HydrophobicContact CG1-CG 4.17Å
545	V	93.8	Very high	89.8	Confident	20 Å²	20	68.1 Å²	68.1	12%	0.121	36%	0.361	C	S	.	.	H	α-helix	trans	-64.9	-38.4	-179.3	175.5	0	0	0	0	111.6	H498 L502 P541 S548 A549	H498-V545 HydrophobicContact CB-CG2 4.25Å; L502-V545 HydrophobicContact CD1-CG2 4.1Å; P541-V545 WeakPolarHBondContact O-CG2 3.35Å; P541-V545 PolarHBondContact O-N 3.09Å; V545-S548 PolarHBondContact O-N 2.93Å; V545-A549 VanDerWaalsContact O-CB 3.26Å; V545-A549 WeakPolarHBondContact O-CB 3.33Å; V545-A549 PolarHBondContact O-N 3.13Å
546	G	93.1	Very high	89.7	Confident	40 Å²	40	64.6 Å²	64.6	41%	0.412	34%	0.343	S	S	.	.	H	α-helix	trans	-62.7	-44.8	177.1	0	0	0	0	0	112.5	A542 V543 V544 A549 A550	A542-G546 PolarHBondContact O-N 3.01Å; V543-G546 PolarHBondContact O-N 2.98Å; V544-G546 VanDerWaalsContact C-N 3.33Å; V544-G546 PolarHBondContact O-N 3.12Å; G546-A549 PolarHBondContact O-N 3.41Å; G546-A550 WeakPolarHBondContact O-CB 3.4Å; G546-A550 PolarHBondContact O-N 2.95Å
547	F	93.1	Very high	89	Confident	137 Å²	137	60.4 Å²	60.4	60%	0.601	33%	0.327	S	S	*	.	H	α-helix	trans	-63.8	-43.6	175.6	-173.1	-101.9	0	0	0	111.6	V543 V544 A550 L551	V543-F547 WeakPolarHBondContact O-CB 3.49Å; V543-F547 PolarHBondContact O-N 3.23Å; V544-F547 PolarHBondContact O-N 2.85Å; F547-A550 PolarHBondContact O-N 3.48Å; F547-L551 HydrophobicContact CD1-CD1 3.84Å; F547-L551 HydrophobicContact CE1-CD1 3.25Å; F547-L551 HydrophobicContact CE1-CG 4.25Å; F547-L551 HydrophobicContact CE2-CD1 4.27Å; F547-L551 HydrophobicContact CZ-CD1 3.51Å; F547-L551 HydrophobicContact CZ-CG 4.31Å; F547-L551 WeakPolarHBondContact O-CG 3.15Å; F547-L551 PolarHBondContact O-N 3.41Å
548	S	91.3	Very high	88.1	Confident	11 Å²	11	63 Å²	63	8%	0.077	34%	0.343	C	S	.	.	H	α-helix	trans	-67.7	-36	178.7	-57.3	0	0	0	0	113.2	V544 V545 G552 S573	V544-S548 WeakPolarHBondContact O-CB 3.46Å; V544-S548 PolarHBondContact O-N 3.05Å; V544-S548 PolarHBondContact O-OG 2.91Å; V545-S548 PolarHBondContact O-N 2.93Å; S548-G552 WeakPolarHBondContact O-CA 3.38Å; S548-G552 PolarHBondContact O-N 2.76Å; S548-S573 WeakPolarHBondContact CB-OG 3.38Å; S548-S573 PolarHBondContact OG-OG 3.46Å
549	A	90.3	Very high	86.7	Confident	39 Å²	39	66.3 Å²	66.3	32%	0.322	37%	0.369	S	S	.	.	H	α-helix	trans	-67.8	-40.4	172.8	0	0	0	0	0	111.7	V545 G546 L551 G552 Y553 Y556	V545-A549 VanDerWaalsContact O-CB 3.26Å; V545-A549 WeakPolarHBondContact O-CB 3.33Å; V545-A549 PolarHBondContact O-N 3.13Å; G546-A549 PolarHBondContact O-N 3.41Å; A549-L551 PolarHBondContact O-N 2.7Å; A549-G552 PolarHBondContact O-N 3.43Å; A549-Y553 WeakPolarHBondContact O-CB 3.13Å; A549-Y553 PolarHBondContact O-N 3.18Å; A549-Y556 HydrophobicContact CB-CE2 4.26Å
550	A	89	Confident	85.2	Confident	82 Å²	82	69 Å²	69	68%	0.678	38%	0.377	S	S	*	.	H	α-helix	trans	-63.2	-40.6	177.7	0	0	0	0	0	112.5	G546 F547	G546-A550 WeakPolarHBondContact O-CB 3.4Å; G546-A550 PolarHBondContact O-N 2.95Å; F547-A550 PolarHBondContact O-N 3.48Å
551	L	87.3	Confident	84.2	Confident	127 Å²	127	70.7 Å²	70.7	67%	0.665	39%	0.385	S	S	*	.	H	α-helix	trans	-81	-25.9	178.3	-66	-178.3	0	0	0	113.7	F547 A549	F547-L551 HydrophobicContact CD1-CD1 3.84Å; F547-L551 HydrophobicContact CE1-CD1 3.25Å; F547-L551 HydrophobicContact CE1-CG 4.25Å; F547-L551 HydrophobicContact CE2-CD1 4.27Å; F547-L551 HydrophobicContact CZ-CD1 3.51Å; F547-L551 HydrophobicContact CZ-CG 4.31Å; F547-L551 WeakPolarHBondContact O-CG 3.15Å; F547-L551 PolarHBondContact O-N 3.41Å; A549-L551 PolarHBondContact O-N 2.7Å
552	G	81.6	Confident	83.6	Confident	4 Å²	4	71 Å²	71	4%	0.041	39%	0.388	C	S	.	.	H	α-helix	trans	-147.8	31.6	-159.5	0	0	0	0	0	116.3	S548 A549 R554 Y555	S548-G552 WeakPolarHBondContact O-CA 3.38Å; S548-G552 PolarHBondContact O-N 2.76Å; A549-G552 PolarHBondContact O-N 3.43Å; G552-R554 PolarHBondContact O-N 2.98Å; G552-Y555 PolarHBondContact O-N 3.1Å
553	Y	84.4	Confident	83.1	Confident	146 Å²	146	71.7 Å²	71.7	57%	0.573	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-51.8	-28.5	-178.8	79.6	-84.4	0	0	0	114.7	A549 Y555	A549-Y553 WeakPolarHBondContact O-CB 3.13Å; A549-Y553 PolarHBondContact O-N 3.18Å; Y553-Y555 VanDerWaalsContact C-N 3.29Å; Y553-Y555 PolarHBondContact O-N 3.32Å
554	R	80.1	Confident	82.5	Confident	180 Å²	180	67.5 Å²	67.5	68%	0.679	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-71.8	-19.8	179.2	-64.2	-175.5	-179.8	-177.4	-0.2	114.1	G552	G552-R554 PolarHBondContact O-N 2.98Å
555	Y	83.7	Confident	81.9	Confident	78 Å²	78	66.1 Å²	66.1	31%	0.306	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-92.6	-0.3	-177.8	-57.5	-70.6	0	0	0	113	G552 Y553 S565 F570	G552-Y555 PolarHBondContact O-N 3.1Å; Y553-Y555 VanDerWaalsContact C-N 3.29Å; Y553-Y555 PolarHBondContact O-N 3.32Å; Y555-S565 WeakPolarHBondContact O-CB 3.17Å; Y555-S565 PolarHBondContact O-N 3.05Å; Y555-F570 HydrophobicContact CD2-CD2 4.16Å; Y555-F570 HydrophobicContact CD2-CG 4.4Å; Y555-F570 HydrophobicContact CG-CB 4.42Å; Y555-F570 HydrophobicContact CG-CD2 4.41Å; Y555-F570 HydrophobicContact CG-CG 4.19Å
556	Y	84.8	Confident	80.9	Confident	10 Å²	10	69.7 Å²	69.7	4%	0.039	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-86.5	111.1	170.6	-79.4	-94.9	0	0	0	110.7	S491 A494 H498 A549 L564 F570	S491-Y556 WeakPolarHBondContact CA-O 3.2Å; S491-Y556 VanDerWaalsContact CB-O 3.25Å; S491-Y556 WeakPolarHBondContact CB-O 3.25Å; S491-Y556 VanDerWaalsContact OG-CB 3.29Å; S491-Y556 WeakPolarHBondContact OG-CB 3.48Å; S491-Y556 PolarHBondContact OG-O 3.06Å; A494-Y556 HydrophobicContact CB-CD1 4.13Å; H498-Y556 HydrophobicContact CB-CE1 4.28Å; H498-Y556 AromaticContact ND1-CE1 3.71Å; H498-Y556 AromaticContact ND1-CZ 3.71Å; H498-Y556 PolarHBondContact ND1-OH 2.91Å; A549-Y556 HydrophobicContact CB-CE2 4.26Å; Y556-L564 HydrophobicContact CE1-CD1 4.5Å; Y556-F570 HydrophobicContact CD2-CE1 4.01Å; Y556-F570 AromaticContact CD2-CZ 4Å; Y556-F570 HydrophobicContact CD2-CZ 4Å; Y556-F570 AromaticContact CE2-CE1 3.78Å; Y556-F570 HydrophobicContact CE2-CE1 3.78Å; Y556-F570 AromaticContact CE2-CZ 3.49Å; Y556-F570 HydrophobicContact CE2-CZ 3.49Å; Y556-F570 VanDerWaalsContact CE2-CZ 3.49Å
557	G	75	Confident	79.7	Confident	9 Å²	9	74 Å²	74	9%	0.093	38%	0.379	C	S	.	.	S	Bend	trans	88.8	129.8	180	0	0	0	0	0	112.8	W563	G557-W563 VanDerWaalsContact CA-O 3.31Å; G557-W563 WeakPolarHBondContact CA-O 3.48Å; G557-W563 PolarHBondContact N-O 3.49Å; G557-W563 VanDerWaalsContact N-O 3.1Å
558	T	70.1	Confident	78.7	Confident	53 Å²	53	73.8 Å²	73.8	33%	0.325	38%	0.384	S	S	.	.			trans	-109.5	169.5	175.9	71.2	0	0	0	0	110.9	K560 V561	T558-K560 PolarHBondContact O-N 3.42Å; T558-K560 PolarHBondContact OG1-N 2.89Å; T558-V561 PolarHBondContact N-O 3.46Å; T558-V561 VanDerWaalsContact N-O 3.07Å; T558-V561 PolarHBondContact OG1-N 2.96Å; T558-V561 PolarHBondContact OG1-O 2.89Å
559	T	63.1	Low	78.1	Confident	131 Å²	131	78.8 Å²	78.8	80%	0.804	41%	0.41	S	S	*	.	S	Bend	trans	-71.4	-9.5	175.6	52.2	0	0	0	0	113.6
560	K	60.3	Low	77.8	Confident	158 Å²	158	78.2 Å²	78.2	69%	0.687	40%	0.4	S	S	*	.	S	Bend	trans	-112.1	-35.8	-176.2	-63.6	178.6	-178.2	169.7	0	113.1	N484 T558	N484-K560 PolarHBondContact ND2-O 3.33Å; T558-K560 PolarHBondContact O-N 3.42Å; T558-K560 PolarHBondContact OG1-N 2.89Å
561	V	71.4	Confident	77.6	Confident	83 Å²	83	75 Å²	75	50%	0.503	37%	0.372	S	S	.	.			trans	-145.6	140.4	-177.1	-177.2	0	0	0	0	110.6	T558 W563	T558-V561 PolarHBondContact N-O 3.46Å; T558-V561 VanDerWaalsContact N-O 3.07Å; T558-V561 PolarHBondContact OG1-N 2.96Å; T558-V561 PolarHBondContact OG1-O 2.89Å; V561-W563 HydrophobicContact CG1-CB 4.09Å; V561-W563 PolarHBondContact O-N 3.47Å
562	C	81.1	Confident	77.5	Confident	10 Å²	10	76.2 Å²	76.2	7%	0.068	37%	0.367	C	S	.	.	S	Bend	trans	-81	64.8	174.9	-60.9	0	0	0	0	113.2	C490 I493	C490-C562 WeakPolarHBondContact CA-SG 3.33Å; C490-C562 HydrophobicContact CB-CB 4.06Å; C490-C562 WeakPolarHBondContact CB-SG 3.22Å; C490-C562 WeakPolarHBondContact SG-CA 3.2Å; C490-C562 WeakPolarHBondContact SG-CB 3.45Å; C490-C562 CovalentContact SG-SG 2.04Å; C490-C562 PolarHBondContact SG-SG 3.18Å; I493-C562 HydrophobicContact CG2-CB 4.28Å
563	W	84.4	Confident	77.9	Confident	54 Å²	54	77.1 Å²	77.1	21%	0.205	37%	0.373	C	S	.	.	S	Bend	trans	-138.6	175.8	175.7	-168.8	-110.1	0	0	0	111.7	L497 F501 G557 V561	L497-W563 HydrophobicContact CB-CE3 4.12Å; L497-W563 HydrophobicContact CB-CH2 4.13Å; L497-W563 HydrophobicContact CB-CZ3 3.33Å; L497-W563 HydrophobicContact CD1-CE3 3.8Å; L497-W563 HydrophobicContact CD1-CZ3 3.75Å; L497-W563 HydrophobicContact CG-CZ3 4.1Å; F501-W563 AromaticContact CD2-CH2 3.71Å; F501-W563 HydrophobicContact CD2-CH2 3.71Å; F501-W563 HydrophobicContact CD2-CZ3 4.1Å; F501-W563 AromaticContact CE2-CH2 3.98Å; F501-W563 HydrophobicContact CE2-CH2 3.98Å; F501-W563 AromaticContact CE2-CZ3 3.99Å; F501-W563 HydrophobicContact CE2-CZ3 3.99Å; G557-W563 VanDerWaalsContact CA-O 3.31Å; G557-W563 WeakPolarHBondContact CA-O 3.48Å; G557-W563 PolarHBondContact N-O 3.49Å; G557-W563 VanDerWaalsContact N-O 3.1Å; V561-W563 HydrophobicContact CG1-CB 4.09Å; V561-W563 PolarHBondContact O-N 3.47Å
564	L	82.3	Confident	78.1	Confident	6 Å²	6	70.4 Å²	70.4	3%	0.031	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-59.8	137.1	172.9	-79.3	77.8	0	0	0	110.8	H498 Y556 F570 I571 F574	H498-L564 HydrophobicContact CB-CD1 4.01Å; Y556-L564 HydrophobicContact CE1-CD1 4.5Å; L564-F570 HydrophobicContact CB-CD1 4.47Å; L564-F570 HydrophobicContact CD2-CD1 4.05Å; L564-F570 HydrophobicContact CD2-CE1 3.87Å; L564-F570 HydrophobicContact CG-CD1 4.36Å; L564-F570 HydrophobicContact CG-CE1 4.14Å; L564-I571 HydrophobicContact CB-CD1 3.98Å; L564-F574 HydrophobicContact CD2-CB 4.33Å
565	S	78.9	Confident	78.4	Confident	10 Å²	10	62.6 Å²	62.6	7%	0.07	32%	0.319	C	S	.	.			trans	-66.9	140.8	172.8	-171	0	0	0	0	111.5	Y555 E567	Y555-S565 WeakPolarHBondContact O-CB 3.17Å; Y555-S565 PolarHBondContact O-N 3.05Å; S565-E567 VanDerWaalsContact C-N 3.28Å; S565-E567 WeakPolarHBondContact OG-CB 3.44Å; S565-E567 WeakPolarHBondContact OG-CG 3.23Å; S565-E567 PolarHBondContact OG-N 3.26Å
566	T	72.8	Confident	78.6	Confident	95 Å²	95	60.1 Å²	60.1	58%	0.583	32%	0.317	S	S	*	.			trans	-83.1	-7.9	170.7	50.7	0	0	0	0	112.5
567	E	69.3	Low	78.8	Confident	132 Å²	132	61.5 Å²	61.5	62%	0.617	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-64.9	143.5	176.6	-64.5	176.3	179.7	0	0	111.2	S565 N569 F570	S565-E567 VanDerWaalsContact C-N 3.28Å; S565-E567 WeakPolarHBondContact OG-CB 3.44Å; S565-E567 WeakPolarHBondContact OG-CG 3.23Å; S565-E567 PolarHBondContact OG-N 3.26Å; E567-N569 PolarHBondContact O-N 2.9Å; E567-N569 VanDerWaalsContact O-N 3.16Å; E567-F570 PolarHBondContact O-N 2.69Å
568	N	72.4	Confident	79.3	Confident	132 Å²	132	61.3 Å²	61.3	71%	0.706	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	57	28.6	175.5	-144.8	29.1	0	0	0	114.9	F570	N568-F570 PolarHBondContact O-N 3.2Å; N568-F570 VanDerWaalsContact O-N 3.13Å
569	N	77.2	Confident	80	Confident	116 Å²	116	61.8 Å²	61.8	62%	0.62	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	59.3	19.9	-179.4	-64.6	-40.2	0	0	0	114.5	E567 I571 W572	E567-N569 PolarHBondContact O-N 2.9Å; E567-N569 VanDerWaalsContact O-N 3.16Å; N569-I571 PolarHBondContact O-N 3.23Å; N569-W572 WeakPolarHBondContact O-CB 3.24Å; N569-W572 PolarHBondContact O-N 3.44Å; N569-W572 VanDerWaalsContact O-N 3.08Å
570	F	84.9	Confident	81.2	Confident	27 Å²	27	60.9 Å²	60.9	12%	0.118	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-28.8	-177.7	-172.3	-106.1	0	0	0	113.1	Y555 Y556 L564 E567 N568 W572 S573	Y555-F570 HydrophobicContact CD2-CD2 4.16Å; Y555-F570 HydrophobicContact CD2-CG 4.4Å; Y555-F570 HydrophobicContact CG-CB 4.42Å; Y555-F570 HydrophobicContact CG-CD2 4.41Å; Y555-F570 HydrophobicContact CG-CG 4.19Å; Y556-F570 HydrophobicContact CD2-CE1 4.01Å; Y556-F570 AromaticContact CD2-CZ 4Å; Y556-F570 HydrophobicContact CD2-CZ 4Å; Y556-F570 AromaticContact CE2-CE1 3.78Å; Y556-F570 HydrophobicContact CE2-CE1 3.78Å; Y556-F570 AromaticContact CE2-CZ 3.49Å; Y556-F570 HydrophobicContact CE2-CZ 3.49Å; Y556-F570 VanDerWaalsContact CE2-CZ 3.49Å; L564-F570 HydrophobicContact CB-CD1 4.47Å; L564-F570 HydrophobicContact CD2-CD1 4.05Å; L564-F570 HydrophobicContact CD2-CE1 3.87Å; L564-F570 HydrophobicContact CG-CD1 4.36Å; L564-F570 HydrophobicContact CG-CE1 4.14Å; E567-F570 PolarHBondContact O-N 2.69Å; N568-F570 PolarHBondContact O-N 3.2Å; N568-F570 VanDerWaalsContact O-N 3.13Å; F570-W572 PolarHBondContact O-N 2.99Å; F570-W572 VanDerWaalsContact O-N 3.11Å; F570-S573 WeakPolarHBondContact O-CB 3.29Å; F570-S573 PolarHBondContact O-N 2.89Å
571	I	83.8	Confident	82.4	Confident	15 Å²	15	54.7 Å²	54.7	8%	0.077	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-25.4	175.4	-164.9	63.6	0	0	0	113.6	L564 N569 S573 F574 I575	L564-I571 HydrophobicContact CB-CD1 3.98Å; N569-I571 PolarHBondContact O-N 3.23Å; I571-S573 PolarHBondContact O-N 2.85Å; I571-F574 PolarHBondContact O-N 2.72Å; I571-I575 HydrophobicContact CG1-CD1 3.73Å; I571-I575 HydrophobicContact CG1-CG1 4.2Å; I571-I575 HydrophobicContact CG2-CD1 4.23Å; I571-I575 PolarHBondContact O-N 3.48Å; I571-I575 VanDerWaalsContact O-N 3.14Å
572	W	86.1	Confident	83	Confident	151 Å²	151	52.1 Å²	52.1	57%	0.572	28%	0.277	S	S	*	.	H	α-helix	trans	-65.1	-20	176.1	-82	98	0	0	0	113.7	N569 F570 F574 I575 G576	N569-W572 WeakPolarHBondContact O-CB 3.24Å; N569-W572 PolarHBondContact O-N 3.44Å; N569-W572 VanDerWaalsContact O-N 3.08Å; F570-W572 PolarHBondContact O-N 2.99Å; F570-W572 VanDerWaalsContact O-N 3.11Å; W572-F574 PolarHBondContact O-N 2.75Å; W572-I575 HydrophobicContact CE3-CB 4.29Å; W572-I575 HydrophobicContact CE3-CG2 4.13Å; W572-I575 HydrophobicContact CZ3-CG2 3.99Å; W572-G576 PolarHBondContact O-N 3.4Å
573	S	88.9	Confident	83.2	Confident	24 Å²	24	56.2 Å²	56.2	17%	0.168	30%	0.297	C	S	.	.	H	α-helix	trans	-57.3	-28.9	169.6	172.7	0	0	0	0	112.9	H498 S548 F570 I571 P577	H498-S573 PolarHBondContact CE1-OG 3.28Å; S548-S573 WeakPolarHBondContact CB-OG 3.38Å; S548-S573 PolarHBondContact OG-OG 3.46Å; F570-S573 WeakPolarHBondContact O-CB 3.29Å; F570-S573 PolarHBondContact O-N 2.89Å; I571-S573 PolarHBondContact O-N 2.85Å; S573-P577 WeakPolarHBondContact O-CD 3.28Å; S573-P577 WeakPolarHBondContact O-CG 3.28Å
574	F	88.4	Confident	83.2	Confident	5 Å²	5	56.7 Å²	56.7	2%	0.022	31%	0.306	C	S	.	.	H	α-helix	trans	-97.6	-49.1	178.1	169.4	-99.9	0	0	0	111	H498 F501 L502 F505 L564 I571 W572 G576 P577 A578 W631	H498-F574 AromaticContact CD2-CD2 3.71Å; F501-F574 HydrophobicContact CB-CE2 3.9Å; F501-F574 HydrophobicContact CB-CZ 4.3Å; L502-F574 HydrophobicContact CD2-CD2 3.92Å; L502-F574 HydrophobicContact CD2-CE2 4.08Å; L502-F574 HydrophobicContact CG-CD2 3.94Å; L502-F574 HydrophobicContact CG-CE2 4.16Å; F505-F574 HydrophobicContact CE2-CE2 4.45Å; F505-F574 HydrophobicContact CE2-CZ 4.01Å; L564-F574 HydrophobicContact CD2-CB 4.33Å; I571-F574 PolarHBondContact O-N 2.72Å; W572-F574 PolarHBondContact O-N 2.75Å; F574-G576 PolarHBondContact O-N 2.77Å; F574-P577 WeakPolarHBondContact O-CD 3.45Å; F574-A578 WeakPolarHBondContact O-CB 3.13Å; F574-A578 PolarHBondContact O-N 3.08Å; F574-W631 HydrophobicContact CD1-CZ3 4.38Å; F574-W631 AromaticContact CE1-CE3 3.64Å; F574-W631 HydrophobicContact CE1-CE3 3.64Å; F574-W631 AromaticContact CE1-CH2 3.75Å; F574-W631 HydrophobicContact CE1-CH2 3.75Å; F574-W631 AromaticContact CE1-CZ3 3.19Å; F574-W631 HydrophobicContact CE1-CZ3 3.19Å; F574-W631 HydrophobicContact CE2-CH2 4.47Å; F574-W631 HydrophobicContact CZ-CD2 4.4Å; F574-W631 AromaticContact CZ-CE3 3.87Å; F574-W631 HydrophobicContact CZ-CE3 3.87Å; F574-W631 AromaticContact CZ-CH2 3.41Å; F574-W631 HydrophobicContact CZ-CH2 3.41Å; F574-W631 VanDerWaalsContact CZ-CH2 3.41Å; F574-W631 AromaticContact CZ-CZ2 3.98Å; F574-W631 HydrophobicContact CZ-CZ2 3.98Å; F574-W631 AromaticContact CZ-CZ3 3.36Å; F574-W631 HydrophobicContact CZ-CZ3 3.36Å
575	I	86.8	Confident	83.2	Confident	16 Å²	16	56.4 Å²	56.4	8%	0.082	30%	0.304	C	S	.	.	H	α-helix	trans	-63	-42.5	-174.6	-64	175.5	0	0	0	111.2	I571 W572 A578 C579 V635	I571-I575 HydrophobicContact CG1-CD1 3.73Å; I571-I575 HydrophobicContact CG1-CG1 4.2Å; I571-I575 HydrophobicContact CG2-CD1 4.23Å; I571-I575 PolarHBondContact O-N 3.48Å; I571-I575 VanDerWaalsContact O-N 3.14Å; W572-I575 HydrophobicContact CE3-CB 4.29Å; W572-I575 HydrophobicContact CE3-CG2 4.13Å; W572-I575 HydrophobicContact CZ3-CG2 3.99Å; I575-A578 PolarHBondContact O-N 3.31Å; I575-C579 WeakPolarHBondContact O-CB 3.33Å; I575-C579 PolarHBondContact O-N 3.12Å; I575-C579 PolarHBondContact O-SG 3.46Å; I575-C579 VanDerWaalsContact O-SG 3.36Å; I575-V635 HydrophobicContact CD1-CG2 4.46Å; I575-V635 HydrophobicContact CG2-CG2 4.13Å
576	G	88.1	Confident	83.4	Confident	26 Å²	26	60.1 Å²	60.1	27%	0.268	32%	0.323	S	S	.	.	H	α-helix	trans	-57.8	-58.1	-178.5	0	0	0	0	0	113	W572 F574 A578 C579 L580	W572-G576 PolarHBondContact O-N 3.4Å; F574-G576 PolarHBondContact O-N 2.77Å; G576-A578 VanDerWaalsContact C-N 3.32Å; G576-A578 PolarHBondContact O-N 3.38Å; G576-C579 PolarHBondContact O-N 2.85Å; G576-L580 PolarHBondContact O-N 3.2Å
577	P	89.1	Confident	84	Confident	38 Å²	38	60.9 Å²	60.9	25%	0.247	32%	0.323	C	S	.	.	H	α-helix	trans	-57.9	-40.2	175.8	-27.7	36.2	0	0	0	113.7	L502 V544 S573 F574 L580 I581	L502-P577 HydrophobicContact CD2-CB 4.15Å; V544-P577 HydrophobicContact CG1-CG 4.17Å; S573-P577 WeakPolarHBondContact O-CD 3.28Å; S573-P577 WeakPolarHBondContact O-CG 3.28Å; F574-P577 WeakPolarHBondContact O-CD 3.45Å; P577-L580 PolarHBondContact O-N 3.04Å; P577-I581 VanDerWaalsContact O-CG1 3.28Å; P577-I581 WeakPolarHBondContact O-CG1 3.36Å; P577-I581 PolarHBondContact O-N 2.94Å
578	A	86.1	Confident	84.5	Confident	6 Å²	6	55.3 Å²	55.3	5%	0.05	30%	0.299	C	S	.	.	H	α-helix	trans	-63.5	-46.7	178.5	0	0	0	0	0	112.1	F505 F574 I575 G576 L580 I581 I582	F505-A578 HydrophobicContact CD2-CB 4.19Å; F505-A578 HydrophobicContact CE2-CB 4.03Å; F505-A578 HydrophobicContact CZ-CB 4.34Å; F574-A578 WeakPolarHBondContact O-CB 3.13Å; F574-A578 PolarHBondContact O-N 3.08Å; I575-A578 PolarHBondContact O-N 3.31Å; G576-A578 VanDerWaalsContact C-N 3.32Å; G576-A578 PolarHBondContact O-N 3.38Å; A578-L580 PolarHBondContact O-N 2.97Å; A578-I581 PolarHBondContact O-N 3.12Å; A578-I582 VanDerWaalsContact O-CG1 3.3Å; A578-I582 WeakPolarHBondContact O-CG1 3.43Å; A578-I582 PolarHBondContact O-N 3.47Å
579	C	85.6	Confident	84.7	Confident	63 Å²	63	49.7 Å²	49.7	43%	0.426	27%	0.269	S	S	.	.	H	α-helix	trans	-61.5	-41.9	176.3	-73.3	0	0	0	0	112.2	I575 G576 I581 I582 L583	I575-C579 WeakPolarHBondContact O-CB 3.33Å; I575-C579 PolarHBondContact O-N 3.12Å; I575-C579 PolarHBondContact O-SG 3.46Å; I575-C579 VanDerWaalsContact O-SG 3.36Å; G576-C579 PolarHBondContact O-N 2.85Å; C579-I581 PolarHBondContact O-N 3.14Å; C579-I582 PolarHBondContact O-N 3.06Å; C579-L583 WeakPolarHBondContact O-CB 3.36Å; C579-L583 PolarHBondContact O-N 2.83Å
580	L	87.4	Confident	84.9	Confident	111 Å²	111	46.1 Å²	46.1	58%	0.581	26%	0.259	S	S	*	.	H	α-helix	trans	-60.6	-45	176.3	-177.4	70.6	0	0	0	111.5	G576 P577 A578 L583 V584	G576-L580 PolarHBondContact O-N 3.2Å; P577-L580 PolarHBondContact O-N 3.04Å; A578-L580 PolarHBondContact O-N 2.97Å; L580-L583 PolarHBondContact O-N 3.09Å; L580-V584 WeakPolarHBondContact O-CG2 3.32Å; L580-V584 PolarHBondContact O-N 2.8Å
581	I	85.9	Confident	84.7	Confident	29 Å²	29	48 Å²	48	15%	0.149	27%	0.273	C	S	.	.	H	α-helix	trans	-63.8	-45.5	178.7	-71.1	165.8	0	0	0	111.2	F505 C509 P577 A578 C579 L583 V584 N585	F505-I581 HydrophobicContact CB-CD1 4.08Å; F505-I581 HydrophobicContact CB-CG2 4.21Å; F505-I581 WeakPolarHBondContact O-CG2 3.48Å; C509-I581 HydrophobicContact CB-CG2 3.7Å; P577-I581 VanDerWaalsContact O-CG1 3.28Å; P577-I581 WeakPolarHBondContact O-CG1 3.36Å; P577-I581 PolarHBondContact O-N 2.94Å; A578-I581 PolarHBondContact O-N 3.12Å; C579-I581 PolarHBondContact O-N 3.14Å; I581-L583 VanDerWaalsContact C-N 3.31Å; I581-L583 PolarHBondContact O-N 2.99Å; I581-V584 PolarHBondContact O-N 3.42Å; I581-N585 PolarHBondContact O-N 3.16Å
582	I	82.8	Confident	84.3	Confident	29 Å²	29	47.5 Å²	47.5	15%	0.149	27%	0.27	C	S	.	.	H	α-helix	trans	-60.6	-43.1	177.4	-68.3	167.4	0	0	0	110.4	F505 A578 C579 N585 L586	F505-I582 HydrophobicContact CD1-CG1 4.4Å; F505-I582 HydrophobicContact CE1-CD1 3.93Å; F505-I582 HydrophobicContact CE1-CG1 4.13Å; F505-I582 HydrophobicContact CZ-CD1 4.48Å; A578-I582 VanDerWaalsContact O-CG1 3.3Å; A578-I582 WeakPolarHBondContact O-CG1 3.43Å; A578-I582 PolarHBondContact O-N 3.47Å; C579-I582 PolarHBondContact O-N 3.06Å; I582-N585 PolarHBondContact O-N 2.97Å; I582-L586 HydrophobicContact CG2-CD1 3.97Å; I582-L586 HydrophobicContact CG2-CG 4.42Å; I582-L586 WeakPolarHBondContact O-CG 3.03Å; I582-L586 PolarHBondContact O-N 3.4Å
583	L	85.9	Confident	83.8	Confident	96 Å²	96	45 Å²	45	50%	0.503	27%	0.267	S	S	.	.	H	α-helix	trans	-60.4	-48.1	177.1	179.2	65.4	0	0	0	112	C579 L580 I581 N585 L586 L587	C579-L583 WeakPolarHBondContact O-CB 3.36Å; C579-L583 PolarHBondContact O-N 2.83Å; L580-L583 PolarHBondContact O-N 3.09Å; I581-L583 VanDerWaalsContact C-N 3.31Å; I581-L583 PolarHBondContact O-N 2.99Å; L583-N585 VanDerWaalsContact C-N 3.29Å; L583-N585 PolarHBondContact O-N 3.29Å; L583-L586 PolarHBondContact O-N 2.74Å; L583-L587 HydrophobicContact CG-CD1 4.42Å; L583-L587 WeakPolarHBondContact O-CG 3.42Å; L583-L587 PolarHBondContact O-N 2.04Å
584	V	85.3	Confident	83.4	Confident	63 Å²	63	50.8 Å²	50.8	38%	0.382	29%	0.286	S	S	.	.	H	α-helix	trans	-58.9	-42.9	177.6	169.8	0	0	0	0	111	L580 I581 L587 A588	L580-V584 WeakPolarHBondContact O-CG2 3.32Å; L580-V584 PolarHBondContact O-N 2.8Å; I581-V584 PolarHBondContact O-N 3.42Å; V584-L587 PolarHBondContact O-N 3.38Å; V584-A588 PolarHBondContact O-N 2.93Å
585	N	81.6	Confident	82.7	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-62.7	-47.6	176	-81.4	-25.1	0	0	0	112.1	C509 I581 I582 L583 L587 A588 F589 L624	C509-N585 WeakPolarHBondContact CA-ND2 3.28Å; C509-N585 WeakPolarHBondContact CA-OD1 3.35Å; I581-N585 PolarHBondContact O-N 3.16Å; I582-N585 PolarHBondContact O-N 2.97Å; L583-N585 VanDerWaalsContact C-N 3.29Å; L583-N585 PolarHBondContact O-N 3.29Å; N585-L587 VanDerWaalsContact C-N 3.28Å; N585-L587 PolarHBondContact O-N 3.41Å; N585-A588 PolarHBondContact O-N 3.21Å; N585-A588 VanDerWaalsContact O-N 3.15Å; N585-F589 WeakPolarHBondContact O-CD2 2.96Å; N585-F589 PolarHBondContact O-N 2.84Å; N585-L624 HydrophobicContact CB-CD1 3.7Å
586	L	83.1	Confident	82	Confident	88 Å²	88	56 Å²	56	46%	0.461	31%	0.312	S	S	.	.	H	α-helix	trans	-57.1	-41.9	177.7	-74.9	168.3	0	0	0	112	I582 L583 F589 G590 L624	I582-L586 HydrophobicContact CG2-CD1 3.97Å; I582-L586 HydrophobicContact CG2-CG 4.42Å; I582-L586 WeakPolarHBondContact O-CG 3.03Å; I582-L586 PolarHBondContact O-N 3.4Å; L583-L586 PolarHBondContact O-N 2.74Å; L586-F589 PolarHBondContact O-N 2.7Å; L586-G590 PolarHBondContact O-N 2.97Å; L586-L624 HydrophobicContact CD2-CD2 3.64Å; L586-L624 HydrophobicContact CD2-CG 4.46Å; L586-L624 HydrophobicContact CG-CD2 4.33Å
587	L	85.3	Confident	81.2	Confident	111 Å²	111	62.2 Å²	62.2	58%	0.581	33%	0.332	S	S	*	.	H	α-helix	trans	-63.8	-46.2	175.3	-67.9	175.1	0	0	0	111.8	L583 V584 N585 F589 G590 V591	L583-L587 HydrophobicContact CG-CD1 4.42Å; L583-L587 WeakPolarHBondContact O-CG 3.42Å; L583-L587 PolarHBondContact O-N 2.04Å; V584-L587 PolarHBondContact O-N 3.38Å; N585-L587 VanDerWaalsContact C-N 3.28Å; N585-L587 PolarHBondContact O-N 3.41Å; L587-F589 VanDerWaalsContact C-N 3.33Å; L587-F589 PolarHBondContact O-N 3.08Å; L587-G590 PolarHBondContact O-N 3.35Å; L587-V591 WeakPolarHBondContact O-CG2 3.25Å; L587-V591 PolarHBondContact O-N 2.97Å
588	A	79.1	Confident	80.4	Confident	15 Å²	15	68.6 Å²	68.6	12%	0.124	35%	0.351	C	S	.	.	H	α-helix	trans	-59	-44.3	176.9	0	0	0	0	0	111.6	V584 N585 V591 I592	V584-A588 PolarHBondContact O-N 2.93Å; N585-A588 PolarHBondContact O-N 3.21Å; N585-A588 VanDerWaalsContact O-N 3.15Å; A588-V591 PolarHBondContact O-N 3Å; A588-I592 WeakPolarHBondContact O-CD1 3.45Å; A588-I592 VanDerWaalsContact O-CG1 3.25Å; A588-I592 WeakPolarHBondContact O-CG1 2.97Å; A588-I592 PolarHBondContact O-N 2.96Å
589	F	76.8	Confident	79.4	Confident	15 Å²	15	74.5 Å²	74.5	7%	0.066	38%	0.377	C	S	.	.	H	α-helix	trans	-63.6	-41.2	174.9	-82.7	-72.8	0	0	0	112.9	L515 N585 L586 L587 V591 I592 I593 A620 L624	L515-F589 HydrophobicContact CD2-CD1 4.41Å; L515-F589 HydrophobicContact CD2-CE1 3.71Å; L515-F589 HydrophobicContact CD2-CZ 4.38Å; N585-F589 WeakPolarHBondContact O-CD2 2.96Å; N585-F589 PolarHBondContact O-N 2.84Å; L586-F589 PolarHBondContact O-N 2.7Å; L587-F589 VanDerWaalsContact C-N 3.33Å; L587-F589 PolarHBondContact O-N 3.08Å; F589-V591 VanDerWaalsContact C-N 3.3Å; F589-V591 PolarHBondContact O-N 3.48Å; F589-I592 HydrophobicContact CD1-CD1 4.33Å; F589-I592 WeakPolarHBondContact O-CB 3.25Å; F589-I592 PolarHBondContact O-N 3.12Å; F589-I593 WeakPolarHBondContact O-CG1 3.44Å; F589-I593 PolarHBondContact O-N 3.28Å; F589-A620 HydrophobicContact CE1-CB 3.73Å; F589-A620 HydrophobicContact CZ-CB 3.66Å; F589-A620 WeakPolarHBondContact CZ-O 3.22Å; F589-L624 HydrophobicContact CD2-CD1 4.4Å; F589-L624 HydrophobicContact CD2-CD2 3.38Å; F589-L624 HydrophobicContact CD2-CG 4.3Å; F589-L624 HydrophobicContact CE2-CB 4Å; F589-L624 HydrophobicContact CE2-CD1 4.18Å; F589-L624 HydrophobicContact CE2-CD2 3.71Å; F589-L624 HydrophobicContact CE2-CG 4.18Å; F589-L624 HydrophobicContact CG-CD2 4.09Å; F589-L624 HydrophobicContact CZ-CB 4.44Å
590	G	81.4	Confident	78.2	Confident	40 Å²	40	74.7 Å²	74.7	41%	0.412	38%	0.377	S	S	.	.	H	α-helix	trans	-57.4	-44.1	175.3	0	0	0	0	0	112.1	L586 L587 I593 Y594	L586-G590 PolarHBondContact O-N 2.97Å; L587-G590 PolarHBondContact O-N 3.35Å; G590-I593 PolarHBondContact O-N 3.3Å; G590-Y594 WeakPolarHBondContact O-CB 3.27Å; G590-Y594 PolarHBondContact O-N 3.46Å
591	V	81.1	Confident	77	Confident	67 Å²	67	73.5 Å²	73.5	41%	0.406	38%	0.382	S	S	.	.	H	α-helix	trans	-67	-40.3	176.1	179.6	0	0	0	0	111.7	Y516 L587 A588 F589 Y594 K595	Y516-V591 HydrophobicContact CD2-CG1 4.38Å; Y516-V591 HydrophobicContact CE2-CB 4.31Å; Y516-V591 HydrophobicContact CE2-CG1 3.75Å; L587-V591 WeakPolarHBondContact O-CG2 3.25Å; L587-V591 PolarHBondContact O-N 2.97Å; A588-V591 PolarHBondContact O-N 3Å; F589-V591 VanDerWaalsContact C-N 3.3Å; F589-V591 PolarHBondContact O-N 3.48Å; V591-Y594 PolarHBondContact O-N 3.49Å; V591-K595 WeakPolarHBondContact O-CB 3.28Å; V591-K595 PolarHBondContact O-N 3.03Å
592	I	76.3	Confident	75.6	Confident	5 Å²	5	75.1 Å²	75.1	3%	0.026	41%	0.406	C	S	.	.	H	α-helix	trans	-59	-51	175	-70	157.3	0	0	0	110.3	L515 Y516 V519 A588 F589 Y594 K595 V596	L515-I592 HydrophobicContact CB-CD1 4.18Å; L515-I592 HydrophobicContact CD2-CD1 3.93Å; L515-I592 HydrophobicContact CG-CD1 3.75Å; Y516-I592 HydrophobicContact CD2-CG1 4.35Å; V519-I592 HydrophobicContact CG1-CG2 4.46Å; V519-I592 HydrophobicContact CG2-CG2 4.06Å; A588-I592 WeakPolarHBondContact O-CD1 3.45Å; A588-I592 VanDerWaalsContact O-CG1 3.25Å; A588-I592 WeakPolarHBondContact O-CG1 2.97Å; A588-I592 PolarHBondContact O-N 2.96Å; F589-I592 HydrophobicContact CD1-CD1 4.33Å; F589-I592 WeakPolarHBondContact O-CB 3.25Å; F589-I592 PolarHBondContact O-N 3.12Å; I592-Y594 PolarHBondContact O-N 3.02Å; I592-K595 PolarHBondContact O-N 2.83Å; I592-V596 HydrophobicContact CG2-CG2 4.13Å; I592-V596 WeakPolarHBondContact O-CB 3.31Å; I592-V596 WeakPolarHBondContact O-CG2 3.33Å; I592-V596 PolarHBondContact O-N 2.98Å
593	I	74.5	Confident	74.3	Confident	98 Å²	98	79.5 Å²	79.5	50%	0.503	43%	0.429	S	S	.	.	H	α-helix	trans	-61	-46.9	-179.9	-68.5	171.5	0	0	0	110.3	F589 G590 K595 V596 F597	F589-I593 WeakPolarHBondContact O-CG1 3.44Å; F589-I593 PolarHBondContact O-N 3.28Å; G590-I593 PolarHBondContact O-N 3.3Å; I593-K595 VanDerWaalsContact C-N 3.34Å; I593-K595 PolarHBondContact O-N 2.88Å; I593-V596 PolarHBondContact O-N 3.02Å; I593-F597 VanDerWaalsContact O-CB 3.28Å; I593-F597 WeakPolarHBondContact O-CB 3.44Å; I593-F597 PolarHBondContact O-N 2.99Å
594	Y	81.8	Confident	72.6	Confident	145 Å²	145	84.9 Å²	84.9	57%	0.569	45%	0.449	S	S	*	.	H	α-helix	trans	-56.5	-47.6	177.4	173.4	-98.4	0	0	0	111.8	G590 V591 I592 R598	G590-Y594 WeakPolarHBondContact O-CB 3.27Å; G590-Y594 PolarHBondContact O-N 3.46Å; V591-Y594 PolarHBondContact O-N 3.49Å; I592-Y594 PolarHBondContact O-N 3.02Å; Y594-R598 VanDerWaalsContact O-CB 3.29Å; Y594-R598 WeakPolarHBondContact O-CB 3.19Å; Y594-R598 PolarHBondContact O-N 3.46Å
595	K	73.7	Confident	71	Confident	85 Å²	85	86 Å²	86	37%	0.37	46%	0.457	S	S	.	.	H	α-helix	trans	-69.6	-39.8	-178.9	-165.9	167.7	178.2	169.4	0	112.1	V519 V520 V591 I592 I593 H599	V519-K595 HydrophobicContact CG1-CB 4.43Å; V519-K595 HydrophobicContact CG1-CD 4.3Å; V519-K595 HydrophobicContact CG1-CG 4.47Å; V520-K595 HydrophobicContact CG2-CD 4.41Å; V591-K595 WeakPolarHBondContact O-CB 3.28Å; V591-K595 PolarHBondContact O-N 3.03Å; I592-K595 PolarHBondContact O-N 2.83Å; I593-K595 VanDerWaalsContact C-N 3.34Å; I593-K595 PolarHBondContact O-N 2.88Å; K595-H599 VanDerWaalsContact O-CB 3.27Å; K595-H599 WeakPolarHBondContact O-CB 3.25Å; K595-H599 PolarHBondContact O-N 3.4Å
596	V	71.4	Confident	69.4	Low	46 Å²	46	93.9 Å²	93.9	28%	0.279	49%	0.494	S	S	.	.	H	α-helix	trans	-64.4	-44.5	175.5	169.8	0	0	0	0	111	V519 I592 I593 H599 T600	V519-V596 HydrophobicContact CG1-CG2 4.27Å; I592-V596 HydrophobicContact CG2-CG2 4.13Å; I592-V596 WeakPolarHBondContact O-CB 3.31Å; I592-V596 WeakPolarHBondContact O-CG2 3.33Å; I592-V596 PolarHBondContact O-N 2.98Å; I593-V596 PolarHBondContact O-N 3.02Å; V596-H599 PolarHBondContact O-N 3.4Å; V596-T600 WeakPolarHBondContact O-CB 3.43Å; V596-T600 PolarHBondContact O-N 3.19Å; V596-T600 PolarHBondContact O-OG1 2.94Å
597	F	71.1	Confident	68.1	Low	157 Å²	157	94.6 Å²	94.6	69%	0.689	50%	0.502	S	S	*	.	H	α-helix	trans	-65.4	-45.8	178.6	-167.9	-96.1	0	0	0	111.4	I593 H599 T600 A601	I593-F597 VanDerWaalsContact O-CB 3.28Å; I593-F597 WeakPolarHBondContact O-CB 3.44Å; I593-F597 PolarHBondContact O-N 2.99Å; F597-H599 VanDerWaalsContact C-N 3.32Å; F597-H599 PolarHBondContact O-N 3.07Å; F597-T600 PolarHBondContact O-N 3.13Å; F597-A601 PolarHBondContact O-N 3.43Å; F597-A601 VanDerWaalsContact O-N 3.08Å
598	R	71.6	Confident	66.4	Low	172 Å²	172	93.6 Å²	93.6	65%	0.649	50%	0.504	S	S	*	.	H	α-helix	trans	-61.6	-38.5	176.5	-171.9	178	177.4	-178.8	-2.7	112.5	Y594	Y594-R598 VanDerWaalsContact O-CB 3.29Å; Y594-R598 WeakPolarHBondContact O-CB 3.19Å; Y594-R598 PolarHBondContact O-N 3.46Å
599	H	65.9	Low	65.1	Low	129 Å²	129	96.7 Å²	96.7	60%	0.597	52%	0.524	S	S	*	.	H	α-helix	trans	-73.1	-30.6	177.5	-165.5	-76.5	0	0	0	112.6	K595 V596 F597	K595-H599 VanDerWaalsContact O-CB 3.27Å; K595-H599 WeakPolarHBondContact O-CB 3.25Å; K595-H599 PolarHBondContact O-N 3.4Å; V596-H599 PolarHBondContact O-N 3.4Å; F597-H599 VanDerWaalsContact C-N 3.32Å; F597-H599 PolarHBondContact O-N 3.07Å
600	T	59.4	Low	64.2	Low	68 Å²	68	99.2 Å²	99.2	42%	0.417	54%	0.535	S	S	.	.	H	α-helix	trans	-73.7	-29.6	176.8	-52.5	0	0	0	0	111.9	V596 F597 G602 F610	V596-T600 WeakPolarHBondContact O-CB 3.43Å; V596-T600 PolarHBondContact O-N 3.19Å; V596-T600 PolarHBondContact O-OG1 2.94Å; F597-T600 PolarHBondContact O-N 3.13Å; T600-G602 VanDerWaalsContact C-N 3.29Å; T600-G602 PolarHBondContact O-N 3.5Å; T600-F610 HydrophobicContact CG2-CE2 4.39Å; T600-F610 HydrophobicContact CG2-CZ 4.03Å; T600-F610 WeakPolarHBondContact OG1-CE2 3.41Å
601	A	62.4	Low	63.2	Low	85 Å²	85	101.7 Å²	101.7	70%	0.702	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-13	178	0	0	0	0	0	114.4	F597	F597-A601 PolarHBondContact O-N 3.43Å; F597-A601 VanDerWaalsContact O-N 3.08Å
602	G	57.5	Low	62	Low	63 Å²	63	102.6 Å²	102.6	65%	0.649	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	-14.3	-170.4	0	0	0	0	0	117.6	T600	T600-G602 VanDerWaalsContact C-N 3.29Å; T600-G602 PolarHBondContact O-N 3.5Å
603	L	55.3	Low	61.3	Low	121 Å²	121	105.7 Å²	105.7	63%	0.634	55%	0.554	S	S	*	*	S	Bend	trans	-143.5	139.6	-171	-83.2	154	0	0	0	112.6
604	K	49.3	Very low	60.9	Low	210 Å²	210	109.7 Å²	109.7	91%	0.913	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-65.6	125.7	165.2	-85.3	-179.4	176.2	177.2	0	108.7
605	P	51.8	Low	59.9	Low	86 Å²	86	104.8 Å²	104.8	56%	0.558	55%	0.55	S	S	*	*	P	Polyproline II helix	trans	-89.5	137	-168.1	26.6	-18.6	0	0	0	112.8	V607	P605-V607 PolarHBondContact O-N 3.01Å
606	E	48.4	Very low	59.4	Low	166 Å²	166	101.6 Å²	101.6	78%	0.776	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-66.7	122.9	152.7	-76.4	-172.7	160.9	0	0	108.7	S608	E606-S608 VanDerWaalsContact C-N 3.33Å; E606-S608 PolarHBondContact O-N 3.22Å
607	V	56.5	Low	59.1	Low	103 Å²	103	100.9 Å²	100.9	62%	0.624	54%	0.537	S	S	*	.	H	α-helix	trans	-68.9	-25.5	-160.9	-174.7	0	0	0	0	113.5	P605 E611	P605-V607 PolarHBondContact O-N 3.01Å; V607-E611 WeakPolarHBondContact O-CG 3.25Å
608	S	49.1	Very low	59.1	Low	89 Å²	89	100.6 Å²	100.6	62%	0.622	53%	0.531	S	S	*	.	H	α-helix	trans	-84.8	-36.3	-168.2	60.8	0	0	0	0	115.7	E606	E606-S608 VanDerWaalsContact C-N 3.33Å; E606-S608 PolarHBondContact O-N 3.22Å
609	C	51.6	Low	58.9	Low	80 Å²	80	93.1 Å²	93.1	54%	0.541	51%	0.508	S	S	.	.	H	α-helix	trans	-74.9	-37.1	179	-173.7	0	0	0	0	111.5	N612 I613	C609-N612 PolarHBondContact O-N 3.49Å; C609-I613 WeakPolarHBondContact O-CG1 3.17Å; C609-I613 PolarHBondContact O-N 3.29Å
610	F	58.8	Low	59	Low	69 Å²	69	87.2 Å²	87.2	30%	0.303	48%	0.481	S	S	.	.	H	α-helix	trans	-68.3	-37.5	-179.1	-170.2	-103.3	0	0	0	112.9	T600 N612 I613 R614	T600-F610 HydrophobicContact CG2-CE2 4.39Å; T600-F610 HydrophobicContact CG2-CZ 4.03Å; T600-F610 WeakPolarHBondContact OG1-CE2 3.41Å; F610-N612 PolarHBondContact O-N 3.3Å; F610-I613 PolarHBondContact O-N 3.01Å; F610-R614 WeakPolarHBondContact O-CB 3.33Å; F610-R614 PolarHBondContact O-N 3.26Å
611	E	58.7	Low	59.5	Low	92 Å²	92	87 Å²	87	43%	0.43	48%	0.477	S	S	.	.	H	α-helix	trans	-62	-41.1	176.6	-82.2	-170.6	179.1	0	0	112.9	V607 S615 R669	V607-E611 WeakPolarHBondContact O-CG 3.25Å; E611-S615 WeakPolarHBondContact O-CB 3.35Å; E611-S615 PolarHBondContact O-N 3.39Å; E611-R669 IonicContact OE2-NH1 3.38Å; E611-R669 PolarHBondContact OE2-NH1 3.17Å
612	N	57.5	Low	59.9	Low	86 Å²	86	83.7 Å²	83.7	46%	0.46	45%	0.45	S	S	.	.	H	α-helix	trans	-68	-39.5	179.4	-99.5	-31.5	0	0	0	112.3	C609 F610 C616	C609-N612 PolarHBondContact O-N 3.49Å; F610-N612 PolarHBondContact O-N 3.3Å; N612-C616 WeakPolarHBondContact O-CB 3.36Å; N612-C616 PolarHBondContact O-N 2.87Å; N612-C616 VanDerWaalsContact O-N 3.1Å
613	I	61.8	Low	60.6	Low	69 Å²	69	80.8 Å²	80.8	35%	0.354	42%	0.42	S	S	.	.	H	α-helix	trans	-69.8	-41	177.7	-64.9	170.2	0	0	0	110.7	C609 F610 C616 A617	C609-I613 WeakPolarHBondContact O-CG1 3.17Å; C609-I613 PolarHBondContact O-N 3.29Å; F610-I613 PolarHBondContact O-N 3.01Å; I613-C616 WeakPolarHBondContact O-CB 3.38Å; I613-C616 PolarHBondContact O-N 3.27Å; I613-A617 WeakPolarHBondContact O-CB 3.5Å; I613-A617 PolarHBondContact O-N 3.28Å
614	R	65.5	Low	61.4	Low	183 Å²	183	75.5 Å²	75.5	69%	0.691	39%	0.392	S	S	*	.	H	α-helix	trans	-64.3	-44.3	176.8	-175.2	178.4	-177.5	175.1	1.6	112.5	F610 C616 A617 R618	F610-R614 WeakPolarHBondContact O-CB 3.33Å; F610-R614 PolarHBondContact O-N 3.26Å; R614-C616 VanDerWaalsContact C-N 3.31Å; R614-C616 PolarHBondContact O-N 3.32Å; R614-A617 PolarHBondContact O-N 2.85Å; R614-R618 WeakPolarHBondContact O-CB 3.36Å; R614-R618 PolarHBondContact O-N 3.3Å
615	S	61	Low	62.6	Low	42 Å²	42	71.1 Å²	71.1	29%	0.294	37%	0.373	S	S	.	.	H	α-helix	trans	-62.8	-40.9	176.9	-171.3	0	0	0	0	111.5	E611 R618 G619	E611-S615 WeakPolarHBondContact O-CB 3.35Å; E611-S615 PolarHBondContact O-N 3.39Å; S615-R618 PolarHBondContact O-N 3.28Å; S615-G619 PolarHBondContact O-N 3.45Å; S615-G619 VanDerWaalsContact O-N 3.14Å
616	C	62.3	Low	63.8	Low	18 Å²	18	68.3 Å²	68.3	12%	0.122	35%	0.353	C	S	.	.	H	α-helix	trans	-61.6	-48.9	174	150.7	0	0	0	0	113.2	R459 L515 N612 I613 R614 R618 G619 A620	R459-C616 VanDerWaalsContact NH1-CB 3.32Å; R459-C616 PolarHBondContact NH1-SG 2.88Å; R459-C616 PolarHBondContact NH2-SG 3.31Å; L515-C616 WeakPolarHBondContact CD1-SG 3.12Å; N612-C616 WeakPolarHBondContact O-CB 3.36Å; N612-C616 PolarHBondContact O-N 2.87Å; N612-C616 VanDerWaalsContact O-N 3.1Å; I613-C616 WeakPolarHBondContact O-CB 3.38Å; I613-C616 PolarHBondContact O-N 3.27Å; R614-C616 VanDerWaalsContact C-N 3.31Å; R614-C616 PolarHBondContact O-N 3.32Å; C616-R618 VanDerWaalsContact C-N 3.29Å; C616-R618 PolarHBondContact O-N 3.24Å; C616-G619 PolarHBondContact O-N 3.44Å; C616-A620 PolarHBondContact O-N 3.46Å; C616-A620 VanDerWaalsContact O-N 3.12Å
617	A	66.2	Low	65.1	Low	31 Å²	31	60.5 Å²	60.5	26%	0.256	32%	0.317	S	S	.	.	H	α-helix	trans	-64.6	-36.5	-179.9	0	0	0	0	0	111.4	I613 R614 L621	I613-A617 WeakPolarHBondContact O-CB 3.5Å; I613-A617 PolarHBondContact O-N 3.28Å; R614-A617 PolarHBondContact O-N 2.85Å; A617-L621 WeakPolarHBondContact O-CB 3.49Å; A617-L621 PolarHBondContact O-N 3.03Å
618	R	71.1	Confident	66	Low	150 Å²	150	56 Å²	56	57%	0.566	29%	0.291	S	S	*	.	H	α-helix	trans	-63	-41.7	174.8	-173.9	175.3	65.9	170.4	1.9	112.5	R614 S615 C616 A622	R614-R618 WeakPolarHBondContact O-CB 3.36Å; R614-R618 PolarHBondContact O-N 3.3Å; S615-R618 PolarHBondContact O-N 3.28Å; C616-R618 VanDerWaalsContact C-N 3.29Å; C616-R618 PolarHBondContact O-N 3.24Å; R618-A622 WeakPolarHBondContact O-CB 3.3Å; R618-A622 PolarHBondContact O-N 3.17Å
619	G	66.6	Low	67.5	Low	16 Å²	16	54.2 Å²	54.2	17%	0.165	28%	0.276	C	S	.	.	H	α-helix	trans	-66.2	-46.9	177.2	0	0	0	0	0	112.9	S615 C616 L621 A622 L623	S615-G619 PolarHBondContact O-N 3.45Å; S615-G619 VanDerWaalsContact O-N 3.14Å; C616-G619 PolarHBondContact O-N 3.44Å; G619-L621 PolarHBondContact O-N 3.35Å; G619-A622 PolarHBondContact O-N 2.93Å; G619-L623 WeakPolarHBondContact O-CG 3.33Å; G619-L623 PolarHBondContact O-N 2.87Å
620	A	67.7	Low	69.1	Low	4 Å²	4	50.6 Å²	50.6	3%	0.033	25%	0.252	C	S	.	.	H	α-helix	trans	-67.6	-35.5	179.7	0	0	0	0	0	112.3	L515 F589 C616 L623 L624	L515-A620 HydrophobicContact CD2-CB 3.73Å; F589-A620 HydrophobicContact CE1-CB 3.73Å; F589-A620 HydrophobicContact CZ-CB 3.66Å; F589-A620 WeakPolarHBondContact CZ-O 3.22Å; C616-A620 PolarHBondContact O-N 3.46Å; C616-A620 VanDerWaalsContact O-N 3.12Å; A620-L623 PolarHBondContact O-N 3.44Å; A620-L624 WeakPolarHBondContact O-CB 3.35Å; A620-L624 PolarHBondContact O-N 2.88Å
621	L	70.2	Confident	70.2	Confident	64 Å²	64	48.9 Å²	48.9	34%	0.335	24%	0.243	S	C	.	.	H	α-helix	trans	-65.5	-43.5	172.7	-171.7	71.4	0	0	0	111.6	A617 G619 L623 L624 F625	A617-L621 WeakPolarHBondContact O-CB 3.49Å; A617-L621 PolarHBondContact O-N 3.03Å; G619-L621 PolarHBondContact O-N 3.35Å; L621-L623 VanDerWaalsContact C-N 3.34Å; L621-L623 PolarHBondContact O-N 3.31Å; L621-L624 PolarHBondContact O-N 2.9Å; L621-F625 HydrophobicContact CD1-CD2 4.13Å; L621-F625 HydrophobicContact CD1-CE2 3.66Å; L621-F625 HydrophobicContact CD2-CE2 4.42Å; L621-F625 HydrophobicContact CG-CD2 3.95Å; L621-F625 HydrophobicContact CG-CE2 3.82Å; L621-F625 VanDerWaalsContact O-CD2 3.25Å; L621-F625 WeakPolarHBondContact O-CD2 3.28Å; L621-F625 PolarHBondContact O-N 3.41Å
622	A	72	Confident	71.4	Confident	16 Å²	16	49.5 Å²	49.5	13%	0.132	25%	0.248	C	C	.	.	H	α-helix	trans	-62	-42.3	176.4	0	0	0	0	0	111.6	R618 G619 F625 L626 F663	R618-A622 WeakPolarHBondContact O-CB 3.3Å; R618-A622 PolarHBondContact O-N 3.17Å; G619-A622 PolarHBondContact O-N 2.93Å; A622-F625 PolarHBondContact O-N 2.84Å; A622-L626 WeakPolarHBondContact O-CB 3.47Å; A622-L626 WeakPolarHBondContact O-CD1 3.26Å; A622-L626 WeakPolarHBondContact O-CG 3.49Å; A622-L626 PolarHBondContact O-N 3.47Å; A622-F663 HydrophobicContact CB-CD1 3.87Å; A622-F663 HydrophobicContact CB-CD2 4.08Å; A622-F663 HydrophobicContact CB-CE1 3.81Å; A622-F663 HydrophobicContact CB-CE2 4.02Å; A622-F663 HydrophobicContact CB-CG 4.02Å; A622-F663 HydrophobicContact CB-CZ 3.89Å
623	L	70.2	Confident	72.8	Confident	2 Å²	2	48.2 Å²	48.2	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-65.9	-39	177.3	-71.1	168.6	0	0	0	112.9	E511 G619 A620 L621 L626 L627 I660 L664	E511-L623 WeakPolarHBondContact OE1-CD1 3.2Å; G619-L623 WeakPolarHBondContact O-CG 3.33Å; G619-L623 PolarHBondContact O-N 2.87Å; A620-L623 PolarHBondContact O-N 3.44Å; L621-L623 VanDerWaalsContact C-N 3.34Å; L621-L623 PolarHBondContact O-N 3.31Å; L623-L626 PolarHBondContact O-N 3.35Å; L623-L627 PolarHBondContact O-N 2.88Å; L623-L627 VanDerWaalsContact O-N 3.11Å; L623-I660 HydrophobicContact CD2-CG1 3.88Å; L623-I660 HydrophobicContact CD2-CG2 4.46Å; L623-L664 HydrophobicContact CD1-CD1 4.5Å; L623-L664 HydrophobicContact CD1-CD2 3.85Å; L623-L664 HydrophobicContact CD1-CG 4.31Å
624	L	72.8	Confident	73.6	Confident	9 Å²	9	45.3 Å²	45.3	5%	0.047	23%	0.226	C	C	.	.	H	α-helix	trans	-61.9	-45.8	174.4	-177.3	70.8	0	0	0	111.5	M508 N585 L586 F589 A620 L621 G628	M508-L624 HydrophobicContact SD-CD1 4.18Å; N585-L624 HydrophobicContact CB-CD1 3.7Å; L586-L624 HydrophobicContact CD2-CD2 3.64Å; L586-L624 HydrophobicContact CD2-CG 4.46Å; L586-L624 HydrophobicContact CG-CD2 4.33Å; F589-L624 HydrophobicContact CD2-CD1 4.4Å; F589-L624 HydrophobicContact CD2-CD2 3.38Å; F589-L624 HydrophobicContact CD2-CG 4.3Å; F589-L624 HydrophobicContact CE2-CB 4Å; F589-L624 HydrophobicContact CE2-CD1 4.18Å; F589-L624 HydrophobicContact CE2-CD2 3.71Å; F589-L624 HydrophobicContact CE2-CG 4.18Å; F589-L624 HydrophobicContact CG-CD2 4.09Å; F589-L624 HydrophobicContact CZ-CB 4.44Å; A620-L624 WeakPolarHBondContact O-CB 3.35Å; A620-L624 PolarHBondContact O-N 2.88Å; L621-L624 PolarHBondContact O-N 2.9Å; L624-G628 WeakPolarHBondContact O-CA 3.37Å; L624-G628 PolarHBondContact O-N 3.13Å
625	F	75.2	Confident	74.3	Confident	119 Å²	119	39 Å²	39	52%	0.522	21%	0.208	S	C	.	.	H	α-helix	trans	-69	-40.2	177.5	-81.5	-68.8	0	0	0	111.9	L621 A622 G628 T629	L621-F625 HydrophobicContact CD1-CD2 4.13Å; L621-F625 HydrophobicContact CD1-CE2 3.66Å; L621-F625 HydrophobicContact CD2-CE2 4.42Å; L621-F625 HydrophobicContact CG-CD2 3.95Å; L621-F625 HydrophobicContact CG-CE2 3.82Å; L621-F625 VanDerWaalsContact O-CD2 3.25Å; L621-F625 WeakPolarHBondContact O-CD2 3.28Å; L621-F625 PolarHBondContact O-N 3.41Å; A622-F625 PolarHBondContact O-N 2.84Å; F625-G628 PolarHBondContact O-N 2.01Å; F625-T629 VanDerWaalsContact O-CB 3.24Å; F625-T629 WeakPolarHBondContact O-CB 3.45Å; F625-T629 WeakPolarHBondContact O-CG2 3.38Å; F625-T629 PolarHBondContact O-N 3.42Å; F625-T629 PolarHBondContact O-OG1 3.23Å
626	L	76.6	Confident	75.2	Confident	27 Å²	27	40.4 Å²	40.4	14%	0.141	21%	0.212	C	C	.	.	H	α-helix	trans	-60.1	-51.7	179.4	-78.2	163.5	0	0	0	112.5	A622 L623 T629 T630 F659 F663	A622-L626 WeakPolarHBondContact O-CB 3.47Å; A622-L626 WeakPolarHBondContact O-CD1 3.26Å; A622-L626 WeakPolarHBondContact O-CG 3.49Å; A622-L626 PolarHBondContact O-N 3.47Å; L623-L626 PolarHBondContact O-N 3.35Å; L626-T629 PolarHBondContact O-OG1 2.04Å; L626-T630 VanDerWaalsContact O-CG2 3.25Å; L626-T630 WeakPolarHBondContact O-CG2 3.46Å; L626-T630 PolarHBondContact O-N 2.87Å; L626-T630 PolarHBondContact O-OG1 3.4Å; L626-F659 HydrophobicContact CD1-CB 3.65Å; L626-F659 HydrophobicContact CD2-CB 3.56Å; L626-F659 HydrophobicContact CD2-CD2 3.58Å; L626-F659 HydrophobicContact CD2-CE2 4.41Å; L626-F659 HydrophobicContact CD2-CG 3.67Å; L626-F659 HydrophobicContact CG-CB 4.27Å; L626-F663 HydrophobicContact CD1-CD2 3.79Å; L626-F663 HydrophobicContact CD1-CE2 4.01Å
627	L	75.1	Confident	76	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-79.6	-26.5	176.5	-85.2	92.3	0	0	0	113.3	L470 M508 L623 T630 W631 I660	L470-L627 HydrophobicContact CD1-CD2 4.48Å; L470-L627 HydrophobicContact CD2-CD2 4.4Å; M508-L627 HydrophobicContact CE-CB 3.16Å; M508-L627 HydrophobicContact CE-CD1 3.98Å; M508-L627 HydrophobicContact CE-CD2 3.28Å; M508-L627 HydrophobicContact CE-CG 3.61Å; M508-L627 HydrophobicContact SD-CB 4.49Å; L623-L627 PolarHBondContact O-N 2.88Å; L623-L627 VanDerWaalsContact O-N 3.11Å; L627-T630 PolarHBondContact O-OG1 3.14Å; L627-W631 VanDerWaalsContact O-CD1 3.22Å; L627-I660 HydrophobicContact CD1-CD1 4.22Å
628	G	76.7	Confident	76.3	Confident	7 Å²	7	44.2 Å²	44.2	7%	0.072	23%	0.227	C	C	.	.	H	α-helix	trans	-67.1	-46.1	175.5	0	0	0	0	0	111.7	L624 F625 I632	L624-G628 WeakPolarHBondContact O-CA 3.37Å; L624-G628 PolarHBondContact O-N 3.13Å; F625-G628 PolarHBondContact O-N 2.01Å; G628-I632 WeakPolarHBondContact O-CB 3.28Å; G628-I632 WeakPolarHBondContact O-CD1 3.23Å; G628-I632 WeakPolarHBondContact O-CG1 3.25Å; G628-I632 PolarHBondContact O-N 2.85Å
629	T	79.8	Confident	76.2	Confident	52 Å²	52	41.7 Å²	41.7	32%	0.319	23%	0.228	S	C	.	.	H	α-helix	trans	-69.8	-40.2	-177.8	54.2	0	0	0	0	113.1	F625 L626 W631 I632 F633	F625-T629 VanDerWaalsContact O-CB 3.24Å; F625-T629 WeakPolarHBondContact O-CB 3.45Å; F625-T629 WeakPolarHBondContact O-CG2 3.38Å; F625-T629 PolarHBondContact O-N 3.42Å; F625-T629 PolarHBondContact O-OG1 3.23Å; L626-T629 PolarHBondContact O-OG1 2.04Å; T629-W631 VanDerWaalsContact C-N 3.28Å; T629-W631 PolarHBondContact O-N 3Å; T629-I632 PolarHBondContact O-N 3.23Å; T629-F633 VanDerWaalsContact O-CD2 3.26Å; T629-F633 WeakPolarHBondContact O-CD2 3.29Å; T629-F633 WeakPolarHBondContact O-CG 3.38Å; T629-F633 PolarHBondContact O-N 3.37Å
630	T	85.4	Confident	76.2	Confident	4 Å²	4	46.3 Å²	46.3	3%	0.025	25%	0.245	C	C	.	.	H	α-helix	trans	-58.4	-42.3	177.3	52.4	0	0	0	0	111.4	L626 L627 G634 F649 Q656	L626-T630 VanDerWaalsContact O-CG2 3.25Å; L626-T630 WeakPolarHBondContact O-CG2 3.46Å; L626-T630 PolarHBondContact O-N 2.87Å; L626-T630 PolarHBondContact O-OG1 3.4Å; L627-T630 PolarHBondContact O-OG1 3.14Å; T630-G634 PolarHBondContact O-N 2.79Å; T630-F649 VanDerWaalsContact O-CD2 3.29Å; T630-F649 WeakPolarHBondContact O-CD2 3.31Å; T630-Q656 PolarHBondContact OG1-OE1 3.23Å
631	W	82.9	Confident	76.2	Confident	33 Å²	33	50.5 Å²	50.5	13%	0.125	28%	0.28	C	S	.	.	H	α-helix	trans	-84.3	-25.5	-179	-71.4	92.4	0	0	0	114.1	F501 F505 F574 L627 T629 F633 G634 V635	F501-W631 HydrophobicContact CB-CZ2 4.27Å; F501-W631 HydrophobicContact CD1-CH2 4.3Å; F501-W631 AromaticContact CD1-CZ2 3.58Å; F501-W631 HydrophobicContact CD1-CZ2 3.58Å; F501-W631 HydrophobicContact CD2-CH2 4.27Å; F501-W631 HydrophobicContact CD2-CZ2 4.34Å; F501-W631 AromaticContact CE1-CZ2 3.89Å; F501-W631 HydrophobicContact CE1-CZ2 3.89Å; F501-W631 HydrophobicContact CG-CH2 4.14Å; F501-W631 AromaticContact CG-CZ2 3.83Å; F501-W631 HydrophobicContact CG-CZ2 3.83Å; F501-W631 HydrophobicContact CZ-CZ2 4.38Å; F505-W631 HydrophobicContact CE2-CD2 4.17Å; F505-W631 AromaticContact CE2-CE2 3.93Å; F505-W631 HydrophobicContact CE2-CG 4.29Å; F505-W631 HydrophobicContact CE2-CZ2 4.43Å; F505-W631 AromaticContact CE2-NE1 3.93Å; F505-W631 HydrophobicContact CZ-CB 4.19Å; F505-W631 AromaticContact CZ-CD1 3.37Å; F505-W631 AromaticContact CZ-CD2 3.91Å; F505-W631 HydrophobicContact CZ-CD2 3.91Å; F505-W631 AromaticContact CZ-CE2 3.89Å; F505-W631 AromaticContact CZ-CG 3.54Å; F505-W631 HydrophobicContact CZ-CG 3.54Å; F505-W631 AromaticContact CZ-NE1 3.54Å; F574-W631 HydrophobicContact CD1-CZ3 4.38Å; F574-W631 AromaticContact CE1-CE3 3.64Å; F574-W631 HydrophobicContact CE1-CE3 3.64Å; F574-W631 AromaticContact CE1-CH2 3.75Å; F574-W631 HydrophobicContact CE1-CH2 3.75Å; F574-W631 AromaticContact CE1-CZ3 3.19Å; F574-W631 HydrophobicContact CE1-CZ3 3.19Å; F574-W631 HydrophobicContact CE2-CH2 4.47Å; F574-W631 HydrophobicContact CZ-CD2 4.4Å; F574-W631 AromaticContact CZ-CE3 3.87Å; F574-W631 HydrophobicContact CZ-CE3 3.87Å; F574-W631 AromaticContact CZ-CH2 3.41Å; F574-W631 HydrophobicContact CZ-CH2 3.41Å; F574-W631 VanDerWaalsContact CZ-CH2 3.41Å; F574-W631 AromaticContact CZ-CZ2 3.98Å; F574-W631 HydrophobicContact CZ-CZ2 3.98Å; F574-W631 AromaticContact CZ-CZ3 3.36Å; F574-W631 HydrophobicContact CZ-CZ3 3.36Å; L627-W631 VanDerWaalsContact O-CD1 3.22Å; T629-W631 VanDerWaalsContact C-N 3.28Å; T629-W631 PolarHBondContact O-N 3Å; W631-F633 VanDerWaalsContact C-N 3.34Å; W631-G634 PolarHBondContact O-N 2.91Å; W631-V635 WeakPolarHBondContact O-CG2 3.37Å; W631-V635 PolarHBondContact O-N 3.41Å
632	I	83	Confident	76.4	Confident	105 Å²	105	49.8 Å²	49.8	54%	0.538	28%	0.28	S	S	.	.	H	α-helix	trans	-59.5	-46.7	165.8	-74.3	164	0	0	0	110	G628 T629 G634 V635 L636	G628-I632 WeakPolarHBondContact O-CB 3.28Å; G628-I632 WeakPolarHBondContact O-CD1 3.23Å; G628-I632 WeakPolarHBondContact O-CG1 3.25Å; G628-I632 PolarHBondContact O-N 2.85Å; T629-I632 PolarHBondContact O-N 3.23Å; I632-G634 VanDerWaalsContact C-N 3.29Å; I632-G634 PolarHBondContact O-N 3.13Å; I632-V635 PolarHBondContact O-N 3.09Å; I632-L636 VanDerWaalsContact O-CB 3.32Å; I632-L636 WeakPolarHBondContact O-CB 3.23Å; I632-L636 PolarHBondContact O-N 2.98Å
633	F	85.9	Confident	76.4	Confident	59 Å²	59	51.9 Å²	51.9	26%	0.259	29%	0.291	S	S	.	.	H	α-helix	trans	-65	-33.6	174.5	-64.2	-40.8	0	0	0	112.4	T629 W631 L636 H637 L648 F649	T629-F633 VanDerWaalsContact O-CD2 3.26Å; T629-F633 WeakPolarHBondContact O-CD2 3.29Å; T629-F633 WeakPolarHBondContact O-CG 3.38Å; T629-F633 PolarHBondContact O-N 3.37Å; W631-F633 VanDerWaalsContact C-N 3.34Å; F633-L636 PolarHBondContact O-N 3.38Å; F633-H637 VanDerWaalsContact O-CB 3.31Å; F633-H637 WeakPolarHBondContact O-CB 3.38Å; F633-H637 PolarHBondContact O-N 2.89Å; F633-L648 HydrophobicContact CD2-CB 4.37Å; F633-L648 HydrophobicContact CE1-CD1 4.42Å; F633-L648 HydrophobicContact CG-CB 4.31Å; F633-F649 HydrophobicContact CB-CB 4.27Å
634	G	80.3	Confident	76.8	Confident	9 Å²	9	56.4 Å²	56.4	9%	0.093	32%	0.319	C	S	.	.	H	α-helix	trans	-63.4	-46.7	173.8	0	0	0	0	0	112.9	T630 W631 I632 H637 V638 F649	T630-G634 PolarHBondContact O-N 2.79Å; W631-G634 PolarHBondContact O-N 2.91Å; I632-G634 VanDerWaalsContact C-N 3.29Å; I632-G634 PolarHBondContact O-N 3.13Å; G634-H637 PolarHBondContact O-N 3.47Å; G634-V638 WeakPolarHBondContact O-CG2 3.22Å; G634-V638 PolarHBondContact O-N 3.02Å; G634-F649 VanDerWaalsContact CA-CE2 3.44Å; G634-F649 VanDerWaalsContact N-CD2 3.34Å
635	V	79.1	Confident	77.1	Confident	50 Å²	50	56.6 Å²	56.6	30%	0.303	32%	0.32	S	S	.	.	H	α-helix	trans	-64.8	-43.3	174.9	173.4	0	0	0	0	110.5	I575 W631 I632 H637 V638 V639	I575-V635 HydrophobicContact CD1-CG2 4.46Å; I575-V635 HydrophobicContact CG2-CG2 4.13Å; W631-V635 WeakPolarHBondContact O-CG2 3.37Å; W631-V635 PolarHBondContact O-N 3.41Å; I632-V635 PolarHBondContact O-N 3.09Å; V635-H637 VanDerWaalsContact C-N 3.26Å; V635-H637 PolarHBondContact O-N 3.36Å; V635-V638 PolarHBondContact O-N 3.42Å; V635-V638 VanDerWaalsContact O-N 3.1Å; V635-V639 HydrophobicContact CG1-CG2 4.21Å; V635-V639 WeakPolarHBondContact O-CG2 2.99Å; V635-V639 PolarHBondContact O-N 3.47Å
636	L	79.9	Confident	77.3	Confident	71 Å²	71	51.1 Å²	51.1	37%	0.372	30%	0.297	S	S	.	.	H	α-helix	trans	-60.4	-37.9	177.1	-168.2	69.9	0	0	0	111.7	I632 F633 V639 H640 T645	I632-L636 VanDerWaalsContact O-CB 3.32Å; I632-L636 WeakPolarHBondContact O-CB 3.23Å; I632-L636 PolarHBondContact O-N 2.98Å; F633-L636 PolarHBondContact O-N 3.38Å; L636-V639 PolarHBondContact O-N 3.48Å; L636-H640 WeakPolarHBondContact O-CA 2.87Å; L636-H640 WeakPolarHBondContact O-CB 3.46Å; L636-H640 PolarHBondContact O-N 3.4Å; L636-T645 HydrophobicContact CD2-CG2 3.95Å; L636-T645 HydrophobicContact CG-CG2 4.06Å
637	H	79	Confident	77.7	Confident	56 Å²	56	52.9 Å²	52.9	26%	0.259	30%	0.302	S	S	.	.	H	α-helix	trans	-67.1	-37.6	174.6	-179.4	57	0	0	0	112.8	F633 G634 V635 H640 T645	F633-H637 VanDerWaalsContact O-CB 3.31Å; F633-H637 WeakPolarHBondContact O-CB 3.38Å; F633-H637 PolarHBondContact O-N 2.89Å; G634-H637 PolarHBondContact O-N 3.47Å; V635-H637 VanDerWaalsContact C-N 3.26Å; V635-H637 PolarHBondContact O-N 3.36Å; H637-H640 CarbonylContact O-C 3.49Å; H637-T645 PolarHBondContact ND1-OG1 2.86Å; H637-T645 VanDerWaalsContact ND1-OG1 3.15Å
638	V	72.1	Confident	78.2	Confident	73 Å²	73	56.4 Å²	56.4	44%	0.442	32%	0.321	S	S	.	.	H	α-helix	trans	-69	-35.7	175.8	172.2	0	0	0	0	111.6	G634 V635	G634-V638 WeakPolarHBondContact O-CG2 3.22Å; G634-V638 PolarHBondContact O-N 3.02Å; V635-V638 PolarHBondContact O-N 3.42Å; V635-V638 VanDerWaalsContact O-N 3.1Å
639	V	69.3	Low	78.7	Confident	97 Å²	97	58.6 Å²	58.6	59%	0.588	33%	0.329	S	S	*	.	H	α-helix	trans	-81.4	-41.8	-179.9	175.1	0	0	0	0	112	V635 L636	V635-V639 HydrophobicContact CG1-CG2 4.21Å; V635-V639 WeakPolarHBondContact O-CG2 2.99Å; V635-V639 PolarHBondContact O-N 3.47Å; L636-V639 PolarHBondContact O-N 3.48Å
640	H	67.4	Low	78.9	Confident	114 Å²	114	56.7 Å²	56.7	53%	0.528	32%	0.317	S	S	.	.	S	Bend	trans	-121.5	98.5	179.8	-61.5	-44.7	0	0	0	108	L636 H637 S642 T645	L636-H640 WeakPolarHBondContact O-CA 2.87Å; L636-H640 WeakPolarHBondContact O-CB 3.46Å; L636-H640 PolarHBondContact O-N 3.4Å; H637-H640 CarbonylContact O-C 3.49Å; H640-S642 PolarHBondContact O-N 3.1Å; H640-T645 PolarHBondContact O-OG1 3.14Å
641	A	68.1	Low	78.9	Confident	91 Å²	91	59.2 Å²	59.2	75%	0.752	33%	0.332	S	S	*	.			trans	-69.2	62.7	-179.1	0	0	0	0	0	112.4
642	S	73.7	Confident	79	Confident	49 Å²	49	59 Å²	59	34%	0.343	34%	0.336	S	S	.	.			trans	-104.3	143	-176	169.6	0	0	0	0	111.7	H640 V644 T645 A646	H640-S642 PolarHBondContact O-N 3.1Å; S642-V644 VanDerWaalsContact C-N 3.29Å; S642-V644 PolarHBondContact O-N 3.43Å; S642-V644 PolarHBondContact OG-N 2.92Å; S642-T645 PolarHBondContact N-OG1 3.47Å; S642-T645 PolarHBondContact O-N 3.23Å; S642-T645 PolarHBondContact O-OG1 3.45Å; S642-A646 PolarHBondContact O-N 3Å; S642-A646 VanDerWaalsContact O-N 3.13Å
643	V	72.9	Confident	79	Confident	60 Å²	60	55.8 Å²	55.8	36%	0.364	32%	0.319	S	S	.	.	H	α-helix	trans	-59	-41.1	176.7	179.8	0	0	0	0	111.3	T645 A646 Y647	V643-T645 VanDerWaalsContact C-N 3.34Å; V643-T645 PolarHBondContact O-N 3.46Å; V643-A646 WeakPolarHBondContact O-CB 3.07Å; V643-A646 PolarHBondContact O-N 3.25Å; V643-Y647 HydrophobicContact CG1-CD2 3.75Å; V643-Y647 HydrophobicContact CG1-CE2 3.6Å; V643-Y647 WeakPolarHBondContact O-CD2 3.21Å; V643-Y647 PolarHBondContact O-N 3.41Å; V643-Y647 VanDerWaalsContact O-N 3.09Å
644	V	78.6	Confident	79	Confident	97 Å²	97	53.2 Å²	53.2	59%	0.588	31%	0.31	S	S	*	.	H	α-helix	trans	-62.3	-43.8	179.4	179.8	0	0	0	0	110.8	S642 A646 Y647 L648	S642-V644 VanDerWaalsContact C-N 3.29Å; S642-V644 PolarHBondContact O-N 3.43Å; S642-V644 PolarHBondContact OG-N 2.92Å; V644-A646 VanDerWaalsContact C-N 3.3Å; V644-A646 PolarHBondContact O-N 3.34Å; V644-Y647 PolarHBondContact O-N 3.4Å; V644-L648 HydrophobicContact CG1-CD1 4.1Å; V644-L648 HydrophobicContact CG1-CG 4.48Å; V644-L648 WeakPolarHBondContact O-CG 3.48Å; V644-L648 PolarHBondContact O-N 3.24Å
645	T	79.1	Confident	79.2	Confident	13 Å²	13	57 Å²	57	8%	0.08	32%	0.323	C	S	.	.	H	α-helix	trans	-65.2	-33.8	178.7	64.2	0	0	0	0	112.3	L636 H637 H640 S642 V643 F649	L636-T645 HydrophobicContact CD2-CG2 3.95Å; L636-T645 HydrophobicContact CG-CG2 4.06Å; H637-T645 PolarHBondContact ND1-OG1 2.86Å; H637-T645 VanDerWaalsContact ND1-OG1 3.15Å; H640-T645 PolarHBondContact O-OG1 3.14Å; S642-T645 PolarHBondContact N-OG1 3.47Å; S642-T645 PolarHBondContact O-N 3.23Å; S642-T645 PolarHBondContact O-OG1 3.45Å; V643-T645 VanDerWaalsContact C-N 3.34Å; V643-T645 PolarHBondContact O-N 3.46Å; T645-F649 VanDerWaalsContact O-CB 3.29Å; T645-F649 WeakPolarHBondContact O-CB 3.47Å; T645-F649 PolarHBondContact O-N 2.89Å
646	A	78.6	Confident	79.6	Confident	5 Å²	5	54.8 Å²	54.8	4%	0.041	31%	0.31	C	S	.	.	H	α-helix	trans	-66.1	-46.7	175.4	0	0	0	0	0	111.8	L427 S642 V643 V644 F649 T650	L427-A646 HydrophobicContact CD2-CB 4.22Å; S642-A646 PolarHBondContact O-N 3Å; S642-A646 VanDerWaalsContact O-N 3.13Å; V643-A646 WeakPolarHBondContact O-CB 3.07Å; V643-A646 PolarHBondContact O-N 3.25Å; V644-A646 VanDerWaalsContact C-N 3.3Å; V644-A646 PolarHBondContact O-N 3.34Å; A646-F649 PolarHBondContact O-N 3.26Å; A646-T650 WeakPolarHBondContact O-CB 3.4Å; A646-T650 PolarHBondContact O-N 3.44Å; A646-T650 PolarHBondContact O-OG1 3.47Å
647	Y	84.6	Confident	80	Confident	63 Å²	63	51.4 Å²	51.4	25%	0.247	29%	0.292	C	S	.	.	H	α-helix	trans	-62.3	-44.9	176.5	-84.1	-75.3	0	0	0	112.1	D423 I426 L427 I430 V643 V644 F649 T650 V651	D423-Y647 HydrophobicContact CB-CE2 4.41Å; D423-Y647 PolarHBondContact OD1-OH 3.42Å; I426-Y647 HydrophobicContact CG2-CE1 4.32Å; L427-Y647 HydrophobicContact CD1-CD1 3.73Å; L427-Y647 HydrophobicContact CD1-CE1 3.98Å; L427-Y647 HydrophobicContact CD1-CG 4.22Å; I430-Y647 HydrophobicContact CD1-CE1 4.35Å; V643-Y647 HydrophobicContact CG1-CD2 3.75Å; V643-Y647 HydrophobicContact CG1-CE2 3.6Å; V643-Y647 WeakPolarHBondContact O-CD2 3.21Å; V643-Y647 PolarHBondContact O-N 3.41Å; V643-Y647 VanDerWaalsContact O-N 3.09Å; V644-Y647 PolarHBondContact O-N 3.4Å; Y647-F649 PolarHBondContact O-N 3.39Å; Y647-T650 PolarHBondContact O-N 3.02Å; Y647-V651 WeakPolarHBondContact O-CB 3.05Å; Y647-V651 VanDerWaalsContact O-CG2 3.29Å; Y647-V651 WeakPolarHBondContact O-CG2 3.42Å; Y647-V651 PolarHBondContact O-N 3.16Å
648	L	86.6	Confident	80.4	Confident	77 Å²	77	51.7 Å²	51.7	40%	0.403	29%	0.294	S	S	.	.	H	α-helix	trans	-61.2	-44.4	177.3	-71.8	174.8	0	0	0	111.8	F633 V644 S652	F633-L648 HydrophobicContact CD2-CB 4.37Å; F633-L648 HydrophobicContact CE1-CD1 4.42Å; F633-L648 HydrophobicContact CG-CB 4.31Å; V644-L648 HydrophobicContact CG1-CD1 4.1Å; V644-L648 HydrophobicContact CG1-CG 4.48Å; V644-L648 WeakPolarHBondContact O-CG 3.48Å; V644-L648 PolarHBondContact O-N 3.24Å; L648-S652 VanDerWaalsContact O-CB 3.24Å; L648-S652 WeakPolarHBondContact O-CB 3.31Å; L648-S652 PolarHBondContact O-N 3.16Å; L648-S652 PolarHBondContact O-OG 3.46Å
649	F	85.9	Confident	81.1	Confident	53 Å²	53	52 Å²	52	23%	0.232	29%	0.29	C	S	.	.	H	α-helix	trans	-61.9	-49.5	176.3	175.8	-109.8	0	0	0	111.8	T630 F633 G634 T645 A646 Y647 S652 N653	T630-F649 VanDerWaalsContact O-CD2 3.29Å; T630-F649 WeakPolarHBondContact O-CD2 3.31Å; F633-F649 HydrophobicContact CB-CB 4.27Å; G634-F649 VanDerWaalsContact CA-CE2 3.44Å; G634-F649 VanDerWaalsContact N-CD2 3.34Å; T645-F649 VanDerWaalsContact O-CB 3.29Å; T645-F649 WeakPolarHBondContact O-CB 3.47Å; T645-F649 PolarHBondContact O-N 2.89Å; A646-F649 PolarHBondContact O-N 3.26Å; Y647-F649 PolarHBondContact O-N 3.39Å; F649-S652 PolarHBondContact O-N 3.27Å; F649-N653 WeakPolarHBondContact CD2-ND2 3.49Å; F649-N653 WeakPolarHBondContact CE2-ND2 3.34Å; F649-N653 WeakPolarHBondContact CZ-ND2 3.37Å; F649-N653 PolarHBondContact O-N 3.49Å; F649-N653 PolarHBondContact O-ND2 3.03Å
650	T	84.1	Confident	81.9	Confident	11 Å²	11	47.3 Å²	47.3	7%	0.067	26%	0.262	C	S	.	.	H	α-helix	trans	-63.7	-46.7	-178.6	-71.1	0	0	0	0	112.7	L427 I430 T431 A646 Y647 S652 N653 A654	L427-T650 VanDerWaalsContact CD1-CB 3.44Å; L427-T650 HydrophobicContact CD1-CG2 3.51Å; L427-T650 WeakPolarHBondContact CD1-OG1 3.17Å; L427-T650 HydrophobicContact CG-CG2 3.96Å; L427-T650 WeakPolarHBondContact CG-OG1 3.25Å; I430-T650 HydrophobicContact CB-CG2 4.43Å; I430-T650 HydrophobicContact CG2-CG2 3.95Å; T431-T650 HydrophobicContact CG2-CG2 3.43Å; T431-T650 VanDerWaalsContact CG2-CG2 3.43Å; A646-T650 WeakPolarHBondContact O-CB 3.4Å; A646-T650 PolarHBondContact O-N 3.44Å; A646-T650 PolarHBondContact O-OG1 3.47Å; Y647-T650 PolarHBondContact O-N 3.02Å; T650-S652 VanDerWaalsContact C-N 3.35Å; T650-N653 PolarHBondContact O-N 3.5Å; T650-A654 WeakPolarHBondContact O-CB 3.18Å; T650-A654 PolarHBondContact O-N 3Å
651	V	85.4	Confident	82.8	Confident	57 Å²	57	44 Å²	44	35%	0.345	25%	0.246	S	C	.	.	H	α-helix	trans	-64.9	-41.6	179.9	170.8	0	0	0	0	110.7	Y647 N653 A654 F655	Y647-V651 WeakPolarHBondContact O-CB 3.05Å; Y647-V651 VanDerWaalsContact O-CG2 3.29Å; Y647-V651 WeakPolarHBondContact O-CG2 3.42Å; Y647-V651 PolarHBondContact O-N 3.16Å; V651-N653 PolarHBondContact O-N 3.47Å; V651-A654 PolarHBondContact O-N 3.25Å; V651-F655 HydrophobicContact CG1-CD2 3.89Å; V651-F655 HydrophobicContact CG1-CE2 3.91Å; V651-F655 VanDerWaalsContact O-CD2 3.3Å; V651-F655 WeakPolarHBondContact O-CD2 3.22Å; V651-F655 PolarHBondContact O-N 3.45Å
652	S	85.6	Confident	83.6	Confident	30 Å²	30	43.1 Å²	43.1	21%	0.21	23%	0.228	C	C	.	.	H	α-helix	trans	-64.1	-41.6	179.2	-56.2	0	0	0	0	111.7	L648 F649 T650 Q656	L648-S652 VanDerWaalsContact O-CB 3.24Å; L648-S652 WeakPolarHBondContact O-CB 3.31Å; L648-S652 PolarHBondContact O-N 3.16Å; L648-S652 PolarHBondContact O-OG 3.46Å; F649-S652 PolarHBondContact O-N 3.27Å; T650-S652 VanDerWaalsContact C-N 3.35Å; S652-Q656 PolarHBondContact O-N 2.82Å
653	N	83.4	Confident	83.9	Confident	36 Å²	36	43.5 Å²	43.5	19%	0.193	22%	0.224	C	C	.	.	H	α-helix	trans	-68.3	-39.2	175.3	-77.7	-65.2	0	0	0	112.6	F649 T650 V651 F655 Q656	F649-N653 WeakPolarHBondContact CD2-ND2 3.49Å; F649-N653 WeakPolarHBondContact CE2-ND2 3.34Å; F649-N653 WeakPolarHBondContact CZ-ND2 3.37Å; F649-N653 PolarHBondContact O-N 3.49Å; F649-N653 PolarHBondContact O-ND2 3.03Å; T650-N653 PolarHBondContact O-N 3.5Å; V651-N653 PolarHBondContact O-N 3.47Å; N653-F655 VanDerWaalsContact C-N 3.26Å; N653-F655 PolarHBondContact O-N 3.14Å; N653-Q656 WeakPolarHBondContact O-CB 3.23Å; N653-Q656 PolarHBondContact O-N 3.14Å; N653-Q656 VanDerWaalsContact O-N 3.17Å
654	A	85.6	Confident	84.1	Confident	6 Å²	6	41.3 Å²	41.3	5%	0.05	21%	0.21	C	C	.	.	H	α-helix	trans	-58.1	-37	179.1	0	0	0	0	0	113	T650 V651	T650-A654 WeakPolarHBondContact O-CB 3.18Å; T650-A654 PolarHBondContact O-N 3Å; V651-A654 PolarHBondContact O-N 3.25Å
655	F	85.1	Confident	84.2	Confident	87 Å²	87	36.8 Å²	36.8	38%	0.382	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-0.7	-179.7	-68.2	-63.3	0	0	0	114.2	V651 N653 G657 M658 F659	V651-F655 HydrophobicContact CG1-CD2 3.89Å; V651-F655 HydrophobicContact CG1-CE2 3.91Å; V651-F655 VanDerWaalsContact O-CD2 3.3Å; V651-F655 WeakPolarHBondContact O-CD2 3.22Å; V651-F655 PolarHBondContact O-N 3.45Å; N653-F655 VanDerWaalsContact C-N 3.26Å; N653-F655 PolarHBondContact O-N 3.14Å; F655-G657 PolarHBondContact O-N 3.25Å; F655-M658 HydrophobicContact CB-CE 4.23Å; F655-M658 HydrophobicContact CD1-CE 3.41Å; F655-M658 VanDerWaalsContact CD1-CE 3.41Å; F655-M658 HydrophobicContact CD1-SD 3.96Å; F655-M658 HydrophobicContact CE1-CE 4.08Å; F655-M658 HydrophobicContact CE1-SD 4.4Å; F655-M658 HydrophobicContact CG-CE 4.13Å; F655-M658 WeakPolarHBondContact O-CB 3.46Å; F655-M658 PolarHBondContact O-N 3.39Å; F655-F659 HydrophobicContact CB-CD2 3.9Å; F655-F659 HydrophobicContact CB-CE2 3.59Å; F655-F659 HydrophobicContact CB-CZ 4.48Å; F655-F659 WeakPolarHBondContact O-CD2 3.41Å; F655-F659 PolarHBondContact O-N 3.04Å
656	Q	87.6	Confident	84.1	Confident	5 Å²	5	39.3 Å²	39.3	2%	0.023	20%	0.197	C	C	.	.	H	α-helix	trans	-58.9	-53.2	-174.1	-173.7	-178.4	-48.1	0	0	112.2	T630 S652 N653 M658 F659 I660	T630-Q656 PolarHBondContact OG1-OE1 3.23Å; S652-Q656 PolarHBondContact O-N 2.82Å; N653-Q656 WeakPolarHBondContact O-CB 3.23Å; N653-Q656 PolarHBondContact O-N 3.14Å; N653-Q656 VanDerWaalsContact O-N 3.17Å; Q656-M658 VanDerWaalsContact C-N 3.31Å; Q656-M658 PolarHBondContact O-N 2.98Å; Q656-F659 PolarHBondContact O-N 3.45Å; Q656-I660 HydrophobicContact CG-CD1 4.16Å; Q656-I660 WeakPolarHBondContact O-CG1 3.37Å; Q656-I660 PolarHBondContact O-N 3.01Å
657	G	87.3	Confident	83.8	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-66	-31.2	179.6	0	0	0	0	0	113.7	S438 F655 I660 F661	S438-G657 WeakPolarHBondContact OG-CA 3.42Å; S438-G657 PolarHBondContact OG-N 2.89Å; F655-G657 PolarHBondContact O-N 3.25Å; G657-I660 PolarHBondContact O-N 3.12Å; G657-F661 PolarHBondContact O-N 2.9Å
658	M	87.8	Confident	83.3	Confident	61 Å²	61	40.8 Å²	40.8	30%	0.3	21%	0.211	S	C	.	.	H	α-helix	trans	-63.9	-46.3	174.1	-175.6	-174.2	75.5	0	0	111.5	F655 Q656 I660 F661 L662	F655-M658 HydrophobicContact CB-CE 4.23Å; F655-M658 HydrophobicContact CD1-CE 3.41Å; F655-M658 VanDerWaalsContact CD1-CE 3.41Å; F655-M658 HydrophobicContact CD1-SD 3.96Å; F655-M658 HydrophobicContact CE1-CE 4.08Å; F655-M658 HydrophobicContact CE1-SD 4.4Å; F655-M658 HydrophobicContact CG-CE 4.13Å; F655-M658 WeakPolarHBondContact O-CB 3.46Å; F655-M658 PolarHBondContact O-N 3.39Å; Q656-M658 VanDerWaalsContact C-N 3.31Å; Q656-M658 PolarHBondContact O-N 2.98Å; M658-I660 VanDerWaalsContact C-N 3.34Å; M658-I660 PolarHBondContact O-N 2.73Å; M658-F661 PolarHBondContact O-N 3.4Å; M658-L662 PolarHBondContact O-N 3.3Å
659	F	86.3	Confident	82.5	Confident	79 Å²	79	43.8 Å²	43.8	35%	0.346	22%	0.217	S	C	.	.	H	α-helix	trans	-64.5	-39.6	176.5	-73.6	-58.8	0	0	0	112	L626 F655 Q656 F661 L662 F663	L626-F659 HydrophobicContact CD1-CB 3.65Å; L626-F659 HydrophobicContact CD2-CB 3.56Å; L626-F659 HydrophobicContact CD2-CD2 3.58Å; L626-F659 HydrophobicContact CD2-CE2 4.41Å; L626-F659 HydrophobicContact CD2-CG 3.67Å; L626-F659 HydrophobicContact CG-CB 4.27Å; F655-F659 HydrophobicContact CB-CD2 3.9Å; F655-F659 HydrophobicContact CB-CE2 3.59Å; F655-F659 HydrophobicContact CB-CZ 4.48Å; F655-F659 WeakPolarHBondContact O-CD2 3.41Å; F655-F659 PolarHBondContact O-N 3.04Å; Q656-F659 PolarHBondContact O-N 3.45Å; F659-F661 VanDerWaalsContact C-N 3.35Å; F659-F661 PolarHBondContact O-N 3.45Å; F659-L662 PolarHBondContact O-N 3.36Å; F659-F663 HydrophobicContact CB-CD2 4.49Å; F659-F663 VanDerWaalsContact O-CD2 3.25Å; F659-F663 WeakPolarHBondContact O-CD2 3.34Å; F659-F663 PolarHBondContact O-N 2.98Å
660	I	85.4	Confident	81.8	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58.4	-47.6	175.2	-68.6	170.5	0	0	0	110.5	L442 L470 L623 L627 Q656 G657 M658 L662 F663 L664	L442-I660 HydrophobicContact CD2-CB 4.47Å; L442-I660 HydrophobicContact CD2-CG2 4.21Å; L470-I660 HydrophobicContact CD1-CD1 3.51Å; L623-I660 HydrophobicContact CD2-CG1 3.88Å; L623-I660 HydrophobicContact CD2-CG2 4.46Å; L627-I660 HydrophobicContact CD1-CD1 4.22Å; Q656-I660 HydrophobicContact CG-CD1 4.16Å; Q656-I660 WeakPolarHBondContact O-CG1 3.37Å; Q656-I660 PolarHBondContact O-N 3.01Å; G657-I660 PolarHBondContact O-N 3.12Å; M658-I660 VanDerWaalsContact C-N 3.34Å; M658-I660 PolarHBondContact O-N 2.73Å; I660-L662 PolarHBondContact O-N 3.27Å; I660-F663 PolarHBondContact O-N 3.18Å; I660-L664 HydrophobicContact CG2-CD1 3.61Å; I660-L664 HydrophobicContact CG2-CG 4.28Å; I660-L664 VanDerWaalsContact O-CB 3.22Å; I660-L664 WeakPolarHBondContact O-CB 3.44Å; I660-L664 WeakPolarHBondContact O-CG 3.36Å; I660-L664 PolarHBondContact O-N 3.31Å
661	F	87.1	Confident	81.4	Confident	45 Å²	45	47 Å²	47	20%	0.197	23%	0.23	C	C	.	.	H	α-helix	trans	-59.8	-43.8	175.8	169.9	-105.5	0	0	0	112.4	C441 I444 C445 G657 M658 F659 C665 V666	C441-F661 HydrophobicContact CB-CB 3.89Å; C441-F661 HydrophobicContact CB-CG 4.3Å; I444-F661 HydrophobicContact CB-CE2 4.27Å; I444-F661 HydrophobicContact CG2-CD2 4.35Å; I444-F661 HydrophobicContact CG2-CE2 3.61Å; I444-F661 HydrophobicContact CG2-CZ 4.23Å; C445-F661 HydrophobicContact CB-CD2 4.31Å; G657-F661 PolarHBondContact O-N 2.9Å; M658-F661 PolarHBondContact O-N 3.4Å; F659-F661 VanDerWaalsContact C-N 3.35Å; F659-F661 PolarHBondContact O-N 3.45Å; F661-C665 HydrophobicContact CD2-CB 3.77Å; F661-C665 HydrophobicContact CE2-CB 3.72Å; F661-C665 WeakPolarHBondContact O-CA 3.28Å; F661-C665 VanDerWaalsContact O-CB 3.31Å; F661-C665 WeakPolarHBondContact O-CB 3.35Å; F661-C665 PolarHBondContact O-N 2.91Å; F661-V666 HydrophobicContact CD1-CG2 4.16Å; F661-V666 HydrophobicContact CE1-CG2 3.59Å; F661-V666 HydrophobicContact CZ-CG2 3.82Å; F661-V666 PolarHBondContact O-N 3.04Å
662	L	84.2	Confident	80.9	Confident	71 Å²	71	48.9 Å²	48.9	37%	0.372	24%	0.235	S	C	.	.	I	π-helix	trans	-63.2	-45.7	179.6	-175.2	139.8	0	0	0	112	M658 F659 I660 V666 L667	M658-L662 PolarHBondContact O-N 3.3Å; F659-L662 PolarHBondContact O-N 3.36Å; I660-L662 PolarHBondContact O-N 3.27Å; L662-V666 WeakPolarHBondContact O-CB 3.37Å; L662-V666 PolarHBondContact O-N 3.48Å; L662-L667 HydrophobicContact CD2-CD1 3.5Å; L662-L667 VanDerWaalsContact CD2-CD1 3.5Å; L662-L667 HydrophobicContact CD2-CG 4.06Å; L662-L667 WeakPolarHBondContact O-CB 3.13Å; L662-L667 WeakPolarHBondContact O-CG 3.26Å; L662-L667 PolarHBondContact O-N 2.71Å
663	F	81.1	Confident	80.5	Confident	58 Å²	58	51.6 Å²	51.6	25%	0.254	25%	0.245	S	C	.	.	I	π-helix	trans	-74.8	-41.3	-180	-78.4	-70.5	0	0	0	113.4	A622 L626 F659 I660 L667	A622-F663 HydrophobicContact CB-CD1 3.87Å; A622-F663 HydrophobicContact CB-CD2 4.08Å; A622-F663 HydrophobicContact CB-CE1 3.81Å; A622-F663 HydrophobicContact CB-CE2 4.02Å; A622-F663 HydrophobicContact CB-CG 4.02Å; A622-F663 HydrophobicContact CB-CZ 3.89Å; L626-F663 HydrophobicContact CD1-CD2 3.79Å; L626-F663 HydrophobicContact CD1-CE2 4.01Å; F659-F663 HydrophobicContact CB-CD2 4.49Å; F659-F663 VanDerWaalsContact O-CD2 3.25Å; F659-F663 WeakPolarHBondContact O-CD2 3.34Å; F659-F663 PolarHBondContact O-N 2.98Å; I660-F663 PolarHBondContact O-N 3.18Å; F663-L667 HydrophobicContact CD1-CD1 3.55Å; F663-L667 HydrophobicContact CE1-CD1 3.71Å; F663-L667 HydrophobicContact CG-CD1 4.33Å
664	L	77.8	Confident	80.1	Confident	14 Å²	14	51.5 Å²	51.5	7%	0.073	24%	0.243	C	C	.	.	I	π-helix	trans	-83.1	-39	-174.6	-71.7	-177	0	0	0	113.4	F449 H463 L623 I660 S668 I671	F449-L664 HydrophobicContact CZ-CB 4.26Å; H463-L664 HydrophobicContact CB-CD1 4.09Å; L623-L664 HydrophobicContact CD1-CD1 4.5Å; L623-L664 HydrophobicContact CD1-CD2 3.85Å; L623-L664 HydrophobicContact CD1-CG 4.31Å; I660-L664 HydrophobicContact CG2-CD1 3.61Å; I660-L664 HydrophobicContact CG2-CG 4.28Å; I660-L664 VanDerWaalsContact O-CB 3.22Å; I660-L664 WeakPolarHBondContact O-CB 3.44Å; I660-L664 WeakPolarHBondContact O-CG 3.36Å; I660-L664 PolarHBondContact O-N 3.31Å; L664-S668 WeakPolarHBondContact O-CB 3.43Å; L664-I671 WeakPolarHBondContact O-CD1 3.44Å
665	C	78.9	Confident	79.7	Confident	1 Å²	1	54 Å²	54	1%	0.007	25%	0.252	C	S	.	.	I	π-helix	trans	-101.4	-51.8	-176.4	-64.1	0	0	0	0	112.2	F661 I671	F661-C665 HydrophobicContact CD2-CB 3.77Å; F661-C665 HydrophobicContact CE2-CB 3.72Å; F661-C665 WeakPolarHBondContact O-CA 3.28Å; F661-C665 VanDerWaalsContact O-CB 3.31Å; F661-C665 WeakPolarHBondContact O-CB 3.35Å; F661-C665 PolarHBondContact O-N 2.91Å; C665-I671 WeakPolarHBondContact O-CG2 3.37Å
666	V	78.6	Confident	79.3	Confident	66 Å²	66	57.4 Å²	57.4	40%	0.4	26%	0.263	S	S	.	.	I	π-helix	trans	-76.6	-44.6	-170.9	-179.8	0	0	0	0	112.3	F661 L662 S668 Q672	F661-V666 HydrophobicContact CD1-CG2 4.16Å; F661-V666 HydrophobicContact CE1-CG2 3.59Å; F661-V666 HydrophobicContact CZ-CG2 3.82Å; F661-V666 PolarHBondContact O-N 3.04Å; L662-V666 WeakPolarHBondContact O-CB 3.37Å; L662-V666 PolarHBondContact O-N 3.48Å; V666-S668 VanDerWaalsContact C-N 3.35Å; V666-Q672 VanDerWaalsContact O-CD 3.32Å; V666-Q672 VanDerWaalsContact O-CG 3.26Å; V666-Q672 WeakPolarHBondContact O-CG 3.49Å; V666-Q672 PolarHBondContact O-NE2 2.91Å
667	L	71.8	Confident	78.7	Confident	67 Å²	67	62.9 Å²	62.9	35%	0.351	28%	0.284	S	S	.	.	S	Bend	trans	-85.5	-5.8	-177.9	-71.1	175.5	0	0	0	114	L662 F663 R669	L662-L667 HydrophobicContact CD2-CD1 3.5Å; L662-L667 VanDerWaalsContact CD2-CD1 3.5Å; L662-L667 HydrophobicContact CD2-CG 4.06Å; L662-L667 WeakPolarHBondContact O-CB 3.13Å; L662-L667 WeakPolarHBondContact O-CG 3.26Å; L662-L667 PolarHBondContact O-N 2.71Å; F663-L667 HydrophobicContact CD1-CD1 3.55Å; F663-L667 HydrophobicContact CE1-CD1 3.71Å; F663-L667 HydrophobicContact CG-CD1 4.33Å; L667-R669 PolarHBondContact O-N 3.42Å
668	S	73.6	Confident	77.9	Confident	33 Å²	33	66 Å²	66	23%	0.231	30%	0.3	C	S	.	.			trans	-81.3	106.7	179.7	179.4	0	0	0	0	110.4	L664 V666 K670 I671 Q672	L664-S668 WeakPolarHBondContact O-CB 3.43Å; V666-S668 VanDerWaalsContact C-N 3.35Å; S668-K670 PolarHBondContact O-N 3Å; S668-I671 PolarHBondContact O-N 2.86Å; S668-Q672 WeakPolarHBondContact O-CG 3.45Å; S668-Q672 PolarHBondContact O-N 3.33Å
669	R	69.9	Low	77.2	Confident	140 Å²	140	70 Å²	70	53%	0.528	32%	0.316	S	S	.	.	H	α-helix	trans	-52.2	-39.8	-178.8	-166.3	176.6	179.2	175.4	2.6	113.2	E611 L667 I671 Q672 E673	E611-R669 IonicContact OE2-NH1 3.38Å; E611-R669 PolarHBondContact OE2-NH1 3.17Å; L667-R669 PolarHBondContact O-N 3.42Å; R669-I671 VanDerWaalsContact C-N 3.29Å; R669-I671 PolarHBondContact O-N 2.7Å; R669-Q672 PolarHBondContact O-N 2.91Å; R669-E673 IonicContact NE-OE1 3.33Å; R669-E673 WeakPolarHBondContact O-CG 3.25Å; R669-E673 PolarHBondContact O-N 2.92Å
670	K	71.8	Confident	76.3	Confident	127 Å²	127	73.4 Å²	73.4	55%	0.552	33%	0.331	S	S	*	.	H	α-helix	trans	-60.8	-38.2	176.1	-69.1	-172	177.1	-173.1	0	112.7	S668 E674	S668-K670 PolarHBondContact O-N 3Å; K670-E674 WeakPolarHBondContact O-CG 3.43Å; K670-E674 PolarHBondContact O-N 3.35Å
671	I	74.9	Confident	75.2	Confident	5 Å²	5	79.3 Å²	79.3	3%	0.026	36%	0.362	C	S	.	.	H	α-helix	trans	-81	-36.1	-178.9	-66.9	172.6	0	0	0	110.2	T448 F449 I455 L664 C665 S668 R669 E673 E674 Y675	T448-I671 HydrophobicContact CG2-CG2 4.16Å; F449-I671 HydrophobicContact CE1-CD1 3.7Å; F449-I671 HydrophobicContact CZ-CD1 4.44Å; I455-I671 HydrophobicContact CD1-CG1 4.48Å; L664-I671 WeakPolarHBondContact O-CD1 3.44Å; C665-I671 WeakPolarHBondContact O-CG2 3.37Å; S668-I671 PolarHBondContact O-N 2.86Å; R669-I671 VanDerWaalsContact C-N 3.29Å; R669-I671 PolarHBondContact O-N 2.7Å; I671-E673 VanDerWaalsContact C-N 3.3Å; I671-E673 PolarHBondContact O-N 3.27Å; I671-E674 PolarHBondContact O-N 3.42Å; I671-Y675 HydrophobicContact CG2-CD2 3.43Å; I671-Y675 VanDerWaalsContact CG2-CD2 3.43Å; I671-Y675 HydrophobicContact CG2-CE2 3.31Å; I671-Y675 VanDerWaalsContact O-CD2 3.24Å; I671-Y675 WeakPolarHBondContact O-CD2 3.49Å; I671-Y675 PolarHBondContact O-N 3.38Å
672	Q	76	Confident	74.1	Confident	95 Å²	95	81.2 Å²	81.2	44%	0.444	38%	0.377	S	S	.	.	H	α-helix	trans	-57.8	-42.3	171.5	-69.3	179.9	-24.8	0	0	112.1	V666 S668 R669 Y675 Y676	V666-Q672 VanDerWaalsContact O-CD 3.32Å; V666-Q672 VanDerWaalsContact O-CG 3.26Å; V666-Q672 WeakPolarHBondContact O-CG 3.49Å; V666-Q672 PolarHBondContact O-NE2 2.91Å; S668-Q672 WeakPolarHBondContact O-CG 3.45Å; S668-Q672 PolarHBondContact O-N 3.33Å; R669-Q672 PolarHBondContact O-N 2.91Å; Q672-Y675 PolarHBondContact O-N 2.66Å; Q672-Y676 VanDerWaalsContact O-CB 3.25Å; Q672-Y676 WeakPolarHBondContact O-CB 3.36Å; Q672-Y676 PolarHBondContact O-N 3.38Å
673	E	76.3	Confident	72.7	Confident	88 Å²	88	83 Å²	83	41%	0.411	39%	0.393	S	S	.	.	H	α-helix	trans	-63.3	-41	177.5	-75	169.8	-164.4	0	0	112	R669 I671 Y676 R677	R669-E673 IonicContact NE-OE1 3.33Å; R669-E673 WeakPolarHBondContact O-CG 3.25Å; R669-E673 PolarHBondContact O-N 2.92Å; I671-E673 VanDerWaalsContact C-N 3.3Å; I671-E673 PolarHBondContact O-N 3.27Å; E673-Y676 PolarHBondContact O-N 2.9Å; E673-R677 WeakPolarHBondContact O-CG 3.39Å; E673-R677 PolarHBondContact O-N 3.41Å
674	E	75.6	Confident	71.2	Confident	33 Å²	33	86.2 Å²	86.2	15%	0.154	42%	0.421	C	S	.	.	H	α-helix	trans	-74.5	-37.6	177.3	-63.3	-54	150.5	0	0	113	I455 K670 I671 Y676 R677 L678	I455-E674 HydrophobicContact CD1-CB 3.75Å; I455-E674 HydrophobicContact CD1-CG 3.58Å; I455-E674 HydrophobicContact CG1-CG 3.87Å; K670-E674 WeakPolarHBondContact O-CG 3.43Å; K670-E674 PolarHBondContact O-N 3.35Å; I671-E674 PolarHBondContact O-N 3.42Å; E674-Y676 VanDerWaalsContact C-N 3.29Å; E674-Y676 PolarHBondContact O-N 3.48Å; E674-R677 PolarHBondContact O-N 2.86Å; E674-R677 IonicContact OE1-CZ 2.72Å; E674-R677 IonicContact OE1-NH1 3.38Å; E674-R677 PolarHBondContact OE1-NH1 3.34Å; E674-R677 IonicContact OE1-NH2 3.76Å; E674-R677 WeakPolarHBondContact OE2-CD 3.22Å; E674-R677 IonicContact OE2-NH1 2.68Å; E674-R677 PolarHBondContact OE2-NH1 2.87Å; E674-L678 WeakPolarHBondContact O-CB 3.24Å; E674-L678 PolarHBondContact O-N 3.49Å
675	Y	77.8	Confident	69.8	Low	60 Å²	60	90.5 Å²	90.5	24%	0.235	45%	0.451	C	S	.	.	H	α-helix	trans	-58.8	-44.6	168.7	-87.4	-65.3	0	0	0	110.6	T448 F452 I671 Q672 R677 L678 F679	T448-Y675 HydrophobicContact CG2-CE2 3.99Å; T448-Y675 WeakPolarHBondContact CG2-OH 3.48Å; T448-Y675 PolarHBondContact OG1-OH 3.25Å; F452-Y675 HydrophobicContact CE2-CE1 4.35Å; I671-Y675 HydrophobicContact CG2-CD2 3.43Å; I671-Y675 VanDerWaalsContact CG2-CD2 3.43Å; I671-Y675 HydrophobicContact CG2-CE2 3.31Å; I671-Y675 VanDerWaalsContact O-CD2 3.24Å; I671-Y675 WeakPolarHBondContact O-CD2 3.49Å; I671-Y675 PolarHBondContact O-N 3.38Å; Q672-Y675 PolarHBondContact O-N 2.66Å; Y675-R677 PolarHBondContact O-N 2.84Å; Y675-L678 WeakPolarHBondContact O-CB 3.49Å; Y675-L678 PolarHBondContact O-N 3.45Å; Y675-F679 HydrophobicContact CD1-CE2 4.22Å; Y675-F679 WeakPolarHBondContact O-CB 3.47Å; Y675-F679 WeakPolarHBondContact O-CD2 3.07Å; Y675-F679 PolarHBondContact O-N 2.84Å
676	Y	76.4	Confident	68.2	Low	157 Å²	157	98.3 Å²	98.3	62%	0.616	49%	0.485	S	S	*	.	H	α-helix	trans	-62.7	-40.6	177	-178.4	-97.1	0	0	0	112	Q672 E673 E674 F679 K680	Q672-Y676 VanDerWaalsContact O-CB 3.25Å; Q672-Y676 WeakPolarHBondContact O-CB 3.36Å; Q672-Y676 PolarHBondContact O-N 3.38Å; E673-Y676 PolarHBondContact O-N 2.9Å; E674-Y676 VanDerWaalsContact C-N 3.29Å; E674-Y676 PolarHBondContact O-N 3.48Å; Y676-F679 PolarHBondContact O-N 3.35Å; Y676-K680 HydrophobicContact CE1-CD 4.24Å; Y676-K680 VanDerWaalsContact O-CB 3.22Å; Y676-K680 WeakPolarHBondContact O-CB 3.43Å; Y676-K680 PolarHBondContact O-N 3.43Å
677	R	75.1	Confident	66.5	Low	121 Å²	121	98.7 Å²	98.7	46%	0.457	50%	0.503	S	S	.	.	H	α-helix	trans	-63.7	-42.1	172.9	-75	-177.6	-166.5	156.2	12.4	112.2	E673 E674 Y675 K680 N681	E673-R677 WeakPolarHBondContact O-CG 3.39Å; E673-R677 PolarHBondContact O-N 3.41Å; E674-R677 PolarHBondContact O-N 2.86Å; E674-R677 IonicContact OE1-CZ 2.72Å; E674-R677 IonicContact OE1-NH1 3.38Å; E674-R677 PolarHBondContact OE1-NH1 3.34Å; E674-R677 IonicContact OE1-NH2 3.76Å; E674-R677 WeakPolarHBondContact OE2-CD 3.22Å; E674-R677 IonicContact OE2-NH1 2.68Å; E674-R677 PolarHBondContact OE2-NH1 2.87Å; Y675-R677 PolarHBondContact O-N 2.84Å; R677-K680 PolarHBondContact O-N 2.88Å; R677-N681 WeakPolarHBondContact O-CB 3.21Å; R677-N681 PolarHBondContact O-N 2.84Å; R677-N681 PolarHBondContact O-ND2 3.26Å
678	L	70.4	Confident	65.2	Low	66 Å²	66	101.6 Å²	101.6	35%	0.346	53%	0.528	S	S	.	.	H	α-helix	trans	-60.5	-49.8	174.5	-168.8	93.6	0	0	0	110.6	F451 F452 E674 Y675 K680 N681 V682	F451-L678 HydrophobicContact CE1-CD1 4.15Å; F452-L678 HydrophobicContact CE1-CB 4.45Å; F452-L678 HydrophobicContact CE1-CD1 3.99Å; F452-L678 HydrophobicContact CZ-CB 4.46Å; F452-L678 HydrophobicContact CZ-CD1 4.24Å; F452-L678 HydrophobicContact CZ-CD2 4.26Å; E674-L678 WeakPolarHBondContact O-CB 3.24Å; E674-L678 PolarHBondContact O-N 3.49Å; Y675-L678 WeakPolarHBondContact O-CB 3.49Å; Y675-L678 PolarHBondContact O-N 3.45Å; L678-K680 VanDerWaalsContact C-N 3.29Å; L678-K680 PolarHBondContact O-N 3.47Å; L678-N681 CarbonylContact O-C 3.58Å; L678-N681 PolarHBondContact O-N 3.1Å; L678-V682 WeakPolarHBondContact O-CG2 3.36Å; L678-V682 PolarHBondContact O-N 3.18Å; L678-V682 VanDerWaalsContact O-N 3.1Å
679	F	72.1	Confident	63.7	Low	145 Å²	145	107 Å²	107	64%	0.636	55%	0.553	S	S	*	*	H	α-helix	trans	-64.2	-31.4	178.2	-80.1	-65.7	0	0	0	113.1	Y675 Y676	Y675-F679 HydrophobicContact CD1-CE2 4.22Å; Y675-F679 WeakPolarHBondContact O-CB 3.47Å; Y675-F679 WeakPolarHBondContact O-CD2 3.07Å; Y675-F679 PolarHBondContact O-N 2.84Å; Y676-F679 PolarHBondContact O-N 3.35Å
680	K	67.3	Low	62.2	Low	150 Å²	150	114.7 Å²	114.7	65%	0.652	58%	0.582	S	S	*	*	H	α-helix	trans	-75.9	-31.8	174.9	-170.9	177.6	179.6	-178.4	0	112.8	Y676 R677 L678	Y676-K680 HydrophobicContact CE1-CD 4.24Å; Y676-K680 VanDerWaalsContact O-CB 3.22Å; Y676-K680 WeakPolarHBondContact O-CB 3.43Å; Y676-K680 PolarHBondContact O-N 3.43Å; R677-K680 PolarHBondContact O-N 2.88Å; L678-K680 VanDerWaalsContact C-N 3.29Å; L678-K680 PolarHBondContact O-N 3.47Å
681	N	63.5	Low	61.7	Low	124 Å²	124	114.1 Å²	114.1	66%	0.663	58%	0.583	S	S	*	*	S	Bend	trans	-92.5	4.7	-178.5	-69.5	-11.4	0	0	0	113.8	R677 L678 P683	R677-N681 WeakPolarHBondContact O-CB 3.21Å; R677-N681 PolarHBondContact O-N 2.84Å; R677-N681 PolarHBondContact O-ND2 3.26Å; L678-N681 CarbonylContact O-C 3.58Å; L678-N681 PolarHBondContact O-N 3.1Å; N681-P683 VanDerWaalsContact O-CD 3.25Å; N681-P683 WeakPolarHBondContact O-CD 3.25Å
682	V	62.4	Low	61	Low	84 Å²	84	119.8 Å²	119.8	51%	0.509	61%	0.613	S	S	.	*			trans	-94	96.9	164.1	176.2	0	0	0	0	107.7	L678	L678-V682 WeakPolarHBondContact O-CG2 3.36Å; L678-V682 PolarHBondContact O-N 3.18Å; L678-V682 VanDerWaalsContact O-N 3.1Å
683	P	55.6	Low	60.2	Low	108 Å²	108	121.2 Å²	121.2	70%	0.701	62%	0.622	S	S	*	*			trans	-74.4	140.2	168.8	4.2	16.1	0	0	0	107.8	N681	N681-P683 VanDerWaalsContact O-CD 3.25Å; N681-P683 WeakPolarHBondContact O-CD 3.25Å
684	C	50.3	Low	59.2	Low	126 Å²	126	123.1 Å²	123.1	85%	0.851	64%	0.635	S	S	*	*	S	Bend	trans	97	12.5	161.1	-55.9	0	0	0	0	121.9
685	C	46.8	Very low	58.2	Low	105 Å²	105	128.8 Å²	128.8	71%	0.709	67%	0.665	S	S	*	*	S	Bend	trans	-105.7	-9.4	172.3	-96.1	0	0	0	0	117.3
686	F	46.2	Very low	56.9	Low	164 Å²	164	133.3 Å²	133.3	72%	0.719	69%	0.693	S	S	*	*	S	Bend	trans	-104.8	4.3	178.8	-96.5	-81	0	0	0	115.3	C688 L689	F686-C688 PolarHBondContact O-N 3.38Å; F686-L689 HydrophobicContact CD1-CB 4.23Å; F686-L689 HydrophobicContact CE1-CB 4.49Å
687	G	43.9	Very low	55.5	Low	75 Å²	75	131.6 Å²	131.6	77%	0.773	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	-10.7	172.4	0	0	0	0	0	114.8
688	C	43.1	Very low	54	Low	128 Å²	128	132.5 Å²	132.5	87%	0.865	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	2.7	-179.9	-102.8	0	0	0	0	114.2	F686	F686-C688 PolarHBondContact O-N 3.38Å
689	L	42.9	Very low	52.6	Low	146 Å²	146	138 Å²	138	76%	0.764	75%	0.748	S	S	*	*			trans	-121.3	37.3	-178.1	-116.6	139.7	0	0	0	111.6	F686	F686-L689 HydrophobicContact CD1-CB 4.23Å; F686-L689 HydrophobicContact CE1-CB 4.49Å
690	R	37.4	Very low	50.9	Low	301 Å²	301	137.4 Å²	137.4	100%	1.136	76%	0.759	S	S	*	*			trans	-122.6	0	163.3	-171	175.3	-172	167.8	3.2	110

Retrieved 690 of 690 residues in 2987.5 ms (Link to these results)

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