A0A077ZE30_TRITR Loading...

ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase

AlphaFold DB , UniProt , Accession A0A077ZE30, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 739 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	30.7	Very low	32.5	Very low	240 Å²	240	171.5 Å²	171.5	100%	1.182	87%	0.866	S	S	*	*				0	131	0	-77.6	-77.9	-173.6	0	0	107
2	P	42.3	Very low	32.4	Very low	127 Å²	127	162.5 Å²	162.5	83%	0.825	85%	0.849	S	S	*	*			cis	-105.6	151.8	3.7	33.9	-20.9	0	0	0	113.8
3	K	29.8	Very low	32	Very low	203 Å²	203	162.8 Å²	162.8	88%	0.883	85%	0.849	S	S	*	*			trans	-85.6	130.1	172.5	-71.1	177.3	173.8	-179.7	0	109.1
4	G	38	Very low	32.1	Very low	78 Å²	78	163.4 Å²	163.4	80%	0.804	85%	0.853	S	S	*	*			trans	-116.7	107.1	169.3	0	0	0	0	0	110.2
5	H	28.5	Very low	32	Very low	181 Å²	181	164.3 Å²	164.3	84%	0.838	85%	0.851	S	S	*	*			trans	-70.5	135.5	167.8	-76.8	-29.8	0	0	0	110.1
6	R	33	Very low	32	Very low	245 Å²	245	163.8 Å²	163.8	93%	0.925	85%	0.85	S	S	*	*			trans	-124.9	115.7	157.3	-85.6	-172.6	174.9	179.9	-1.3	108.6
7	E	27	Very low	32	Very low	188 Å²	188	163.2 Å²	163.2	88%	0.879	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-62.2	140.6	171.8	-68.3	169.3	143.8	0	0	110.7
8	I	32.5	Very low	32	Very low	164 Å²	164	157.7 Å²	157.7	84%	0.841	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-98.8	121.1	169.3	-62.7	173.2	0	0	0	107.2
9	V	30.7	Very low	32	Very low	114 Å²	114	155.6 Å²	155.6	69%	0.691	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-84.3	132.2	173.6	-177.9	0	0	0	0	108.9
10	P	30.2	Very low	31.9	Very low	118 Å²	118	154.1 Å²	154.1	77%	0.766	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-92.4	117.4	173.7	33	-26.1	0	0	0	110.8
11	Y	35.1	Very low	32	Very low	228 Å²	228	153.6 Å²	153.6	89%	0.894	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-83.9	133.3	154.6	-84.9	-93.3	0	0	0	106.7
12	G	31.3	Very low	32.1	Very low	64 Å²	64	151.5 Å²	151.5	66%	0.66	82%	0.816	S	S	*	*			cis	130.6	92.7	27.8	0	0	0	0	0	105.4	L14	G12-L14 PolarHBondContact O-N 2.87Å
13	I	27.4	Very low	31.4	Very low	167 Å²	167	149 Å²	149	86%	0.856	81%	0.813	S	S	*	*			trans	-66.7	121.6	-177.4	-62.3	170.3	0	0	0	108.5
14	L	33.2	Very low	31.6	Very low	171 Å²	171	150.6 Å²	150.6	90%	0.895	81%	0.814	S	S	*	*			trans	-113.3	124	163.1	-88.6	164.1	0	0	0	108.8	G12	G12-L14 PolarHBondContact O-N 2.87Å
15	E	29.9	Very low	31.5	Very low	176 Å²	176	155.5 Å²	155.5	82%	0.822	81%	0.813	S	S	*	*			trans	-64.5	133.5	-177	-62.4	172.4	149.7	0	0	111.6
16	D	32.4	Very low	31.7	Very low	157 Å²	157	154.5 Å²	154.5	84%	0.84	81%	0.808	S	S	*	*			trans	-103.6	117	171.1	-166.8	12.5	0	0	0	109.5
17	N	32.5	Very low	31.8	Very low	153 Å²	153	147.3 Å²	147.3	82%	0.818	80%	0.796	S	S	*	*			trans	-112.6	100.5	173.8	-98.9	-30.3	0	0	0	109.2
18	G	31.4	Very low	32	Very low	65 Å²	65	146.8 Å²	146.8	67%	0.67	79%	0.791	S	S	*	*			trans	89.2	101.9	140	0	0	0	0	0	118
19	S	31.6	Very low	32.2	Very low	117 Å²	117	145.1 Å²	145.1	82%	0.818	78%	0.779	S	S	*	*				179.8	150.4	104.7	38.1	0	0	0	0	112.2
20	P	31.4	Very low	32.3	Very low	125 Å²	125	148 Å²	148	81%	0.812	78%	0.779	S	S	*	*			trans	-105.2	118.1	-159	34.3	-22.5	0	0	0	112
21	I	33.1	Very low	32.4	Very low	144 Å²	144	144.4 Å²	144.4	74%	0.738	76%	0.763	S	S	*	*			trans	-141.9	127.8	167.3	-42	-178.7	0	0	0	110.5
22	F	33.5	Very low	32.7	Very low	197 Å²	197	136.5 Å²	136.5	86%	0.864	75%	0.745	S	S	*	*			trans	83.5	82.5	170.2	-71.7	-74.7	0	0	0	119.3	R24	F22-R24 PolarHBondContact O-N 3.21Å
23	G	27.5	Very low	33.3	Very low	74 Å²	74	136.4 Å²	136.4	76%	0.763	74%	0.738	S	S	*	*			trans	-65.7	120.2	154.4	0	0	0	0	0	112.2
24	R	33.4	Very low	34.1	Very low	236 Å²	236	135.1 Å²	135.1	89%	0.891	73%	0.727	S	S	*	*			trans	178	9.6	150.1	-105.8	-179.9	-165	-171.6	5.4	115.3	F22	F22-R24 PolarHBondContact O-N 3.21Å
25	K	35.7	Very low	35.1	Very low	181 Å²	181	132.4 Å²	132.4	79%	0.787	71%	0.709	S	S	*	*	S	Bend	trans	-92.7	-18.7	-174.9	-80.4	-174.2	173.8	-178.4	0	117	S27	K25-S27 PolarHBondContact O-N 3.08Å
26	H	33.9	Very low	36.4	Very low	160 Å²	160	129.4 Å²	129.4	74%	0.741	70%	0.698	S	S	*	*	H	α-helix	trans	-79.2	-10.1	-172.9	-82.5	-51	0	0	0	116.8	E29	H26-E29 IonicContact ND1-OE2 2.63Å
27	S	34.1	Very low	37.8	Very low	95 Å²	95	127.3 Å²	127.3	66%	0.664	68%	0.683	S	S	*	*	H	α-helix	trans	-84	-19.9	175.3	55.8	0	0	0	0	113.7	K25	K25-S27 PolarHBondContact O-N 3.08Å
28	F	31.4	Very low	39.4	Very low	177 Å²	177	124 Å²	124	78%	0.776	67%	0.668	S	S	*	*	H	α-helix	trans	-82.9	-38.2	-177.6	-130.2	-93.1	0	0	0	112.1	G31 A32	F28-G31 PolarHBondContact O-N 3.3Å; F28-A32 PolarHBondContact O-N 3.46Å; F28-A32 VanDerWaalsContact O-N 3.1Å
29	E	35.5	Very low	41	Very low	128 Å²	128	124.3 Å²	124.3	60%	0.598	65%	0.652	S	S	*	*	H	α-helix	trans	-67.5	-37.7	178.4	-73.5	174.3	159.8	0	0	112.9	H26 G31 A33	H26-E29 IonicContact ND1-OE2 2.63Å; E29-G31 VanDerWaalsContact C-N 3.33Å; E29-G31 PolarHBondContact O-N 2.87Å; E29-A33 PolarHBondContact O-N 3.43Å; E29-A33 VanDerWaalsContact O-N 3.12Å
30	Y	33.2	Very low	42.8	Very low	175 Å²	175	123.2 Å²	123.2	69%	0.686	64%	0.637	S	S	*	*	H	α-helix	trans	-69.8	-30	177	-120.9	-87.1	0	0	0	112.9	K34	Y30-K34 PolarHBondContact O-N 3.21Å
31	G	32.4	Very low	44.8	Very low	42 Å²	42	121.6 Å²	121.6	43%	0.433	62%	0.621	S	S	.	*	H	α-helix	trans	-71.7	-45.9	174.7	0	0	0	0	0	112.3	F28 E29 K34 H35	F28-G31 PolarHBondContact O-N 3.3Å; E29-G31 VanDerWaalsContact C-N 3.33Å; E29-G31 PolarHBondContact O-N 2.87Å; G31-K34 PolarHBondContact O-N 3.4Å; G31-H35 WeakPolarHBondContact O-CB 3.5Å; G31-H35 PolarHBondContact O-N 2.88Å
32	A	42.1	Very low	46.9	Very low	62 Å²	62	118.9 Å²	118.9	51%	0.512	61%	0.611	S	S	.	*	H	α-helix	trans	-62	-43.3	178.1	0	0	0	0	0	112.2	F28 K34 H35 L36	F28-A32 PolarHBondContact O-N 3.46Å; F28-A32 VanDerWaalsContact O-N 3.1Å; A32-K34 PolarHBondContact O-N 3.36Å; A32-H35 PolarHBondContact O-N 2.83Å; A32-L36 WeakPolarHBondContact O-CB 3.49Å; A32-L36 PolarHBondContact O-N 2.98Å
33	A	43.8	Very low	48.9	Very low	63 Å²	63	111.6 Å²	111.6	52%	0.521	58%	0.584	S	S	.	*	H	α-helix	trans	-64.9	-39.8	178	0	0	0	0	0	113.1	E29 H37	E29-A33 PolarHBondContact O-N 3.43Å; E29-A33 VanDerWaalsContact O-N 3.12Å; A33-H37 PolarHBondContact O-N 2.92Å; A33-H37 VanDerWaalsContact O-N 3.09Å
34	K	44.1	Very low	51.5	Low	140 Å²	140	114.3 Å²	114.3	61%	0.609	58%	0.575	S	S	*	*	H	α-helix	trans	-67.9	-38.2	175.1	-84.1	-173.2	176	-179	0	112.6	Y30 G31 A32 H37 T38	Y30-K34 PolarHBondContact O-N 3.21Å; G31-K34 PolarHBondContact O-N 3.4Å; A32-K34 PolarHBondContact O-N 3.36Å; K34-H37 PolarHBondContact O-N 2.95Å; K34-T38 PolarHBondContact O-N 2.97Å; K34-T38 VanDerWaalsContact O-N 3.08Å; K34-T38 PolarHBondContact O-OG1 3.41Å
35	H	53.9	Low	54.1	Low	114 Å²	114	109.9 Å²	109.9	53%	0.528	56%	0.564	S	S	.	*	H	α-helix	trans	-61.8	-50.6	176.4	-162.6	-82.3	0	0	0	110.5	G31 A32 H37 T38 E39	G31-H35 WeakPolarHBondContact O-CB 3.5Å; G31-H35 PolarHBondContact O-N 2.88Å; A32-H35 PolarHBondContact O-N 2.83Å; H35-H37 VanDerWaalsContact C-N 3.33Å; H35-H37 PolarHBondContact O-N 3.28Å; H35-T38 PolarHBondContact O-N 3.27Å; H35-T38 VanDerWaalsContact O-N 3.12Å; H35-E39 IonicContact CE1-OE1 3.08Å; H35-E39 PolarHBondContact CE1-OE1 3.42Å; H35-E39 IonicContact CE1-OE2 3.31Å; H35-E39 PolarHBondContact CE1-OE2 3.23Å; H35-E39 VanDerWaalsContact CE1-OE2 3.31Å; H35-E39 IonicContact ND1-OE1 3.5Å; H35-E39 PolarHBondContact ND1-OE1 3.34Å; H35-E39 IonicContact ND1-OE2 2.81Å; H35-E39 PolarHBondContact ND1-OE2 3.24Å; H35-E39 PolarHBondContact O-N 3.26Å
36	L	58.2	Low	56.6	Low	112 Å²	112	104.1 Å²	104.1	59%	0.586	54%	0.544	S	S	*	.	H	α-helix	trans	-58.7	-41.7	178.6	-161.5	77.5	0	0	0	112.3	A32 L40	A32-L36 WeakPolarHBondContact O-CB 3.49Å; A32-L36 PolarHBondContact O-N 2.98Å; L36-L40 WeakPolarHBondContact O-CB 3.36Å; L36-L40 PolarHBondContact O-N 3.21Å
37	H	61.7	Low	59.3	Low	113 Å²	113	98.2 Å²	98.2	52%	0.523	52%	0.518	S	S	.	.	H	α-helix	trans	-65.3	-40.6	177.3	-172.2	75.6	0	0	0	112.6	A33 K34 H35 L40 L41	A33-H37 PolarHBondContact O-N 2.92Å; A33-H37 VanDerWaalsContact O-N 3.09Å; K34-H37 PolarHBondContact O-N 2.95Å; H35-H37 VanDerWaalsContact C-N 3.33Å; H35-H37 PolarHBondContact O-N 3.28Å; H37-L40 PolarHBondContact O-N 3.46Å; H37-L41 WeakPolarHBondContact O-CG 3.28Å; H37-L41 PolarHBondContact O-N 3.4Å; H37-L41 VanDerWaalsContact O-N 3.12Å
38	T	66	Low	62	Low	83 Å²	83	100.5 Å²	100.5	51%	0.509	52%	0.516	S	S	.	.	H	α-helix	trans	-66.2	-43.6	179.3	-55.6	0	0	0	0	110.7	K34 H35 L41 V42	K34-T38 PolarHBondContact O-N 2.97Å; K34-T38 VanDerWaalsContact O-N 3.08Å; K34-T38 PolarHBondContact O-OG1 3.41Å; H35-T38 PolarHBondContact O-N 3.27Å; H35-T38 VanDerWaalsContact O-N 3.12Å; T38-L41 PolarHBondContact O-N 3.24Å; T38-V42 WeakPolarHBondContact O-CG2 3.36Å; T38-V42 PolarHBondContact O-N 3.09Å
39	E	64.5	Low	64.9	Low	72 Å²	72	94 Å²	94	34%	0.336	50%	0.499	S	S	.	.	H	α-helix	trans	-65	-40.7	177.5	-71.9	178.8	134.8	0	0	112.4	H35 L41 V42 S43	H35-E39 IonicContact CE1-OE1 3.08Å; H35-E39 PolarHBondContact CE1-OE1 3.42Å; H35-E39 IonicContact CE1-OE2 3.31Å; H35-E39 PolarHBondContact CE1-OE2 3.23Å; H35-E39 VanDerWaalsContact CE1-OE2 3.31Å; H35-E39 IonicContact ND1-OE1 3.5Å; H35-E39 PolarHBondContact ND1-OE1 3.34Å; H35-E39 IonicContact ND1-OE2 2.81Å; H35-E39 PolarHBondContact ND1-OE2 3.24Å; H35-E39 PolarHBondContact O-N 3.26Å; E39-L41 VanDerWaalsContact C-N 3.32Å; E39-L41 PolarHBondContact O-N 3.16Å; E39-V42 PolarHBondContact O-N 2.95Å; E39-S43 WeakPolarHBondContact O-CB 3.43Å; E39-S43 PolarHBondContact O-N 3.31Å
40	L	69.6	Low	67.7	Low	94 Å²	94	91.7 Å²	91.7	49%	0.492	49%	0.487	S	S	.	.	H	α-helix	trans	-60.1	-41.8	174.6	-164.9	87.4	0	0	0	111.7	L36 H37 S43 K44	L36-L40 WeakPolarHBondContact O-CB 3.36Å; L36-L40 PolarHBondContact O-N 3.21Å; H37-L40 PolarHBondContact O-N 3.46Å; L40-S43 PolarHBondContact O-N 3.49Å; L40-K44 WeakPolarHBondContact O-CB 3.36Å; L40-K44 WeakPolarHBondContact O-CG 3.41Å; L40-K44 PolarHBondContact O-N 3.49Å
41	L	73.2	Confident	70.6	Confident	92 Å²	92	84.7 Å²	84.7	48%	0.482	46%	0.461	S	S	.	.	H	α-helix	trans	-65.5	-42.5	176.3	-73	173.4	0	0	0	112	H37 T38 E39 S43 K44 H45	H37-L41 WeakPolarHBondContact O-CG 3.28Å; H37-L41 PolarHBondContact O-N 3.4Å; H37-L41 VanDerWaalsContact O-N 3.12Å; T38-L41 PolarHBondContact O-N 3.24Å; E39-L41 VanDerWaalsContact C-N 3.32Å; E39-L41 PolarHBondContact O-N 3.16Å; L41-S43 VanDerWaalsContact C-N 3.35Å; L41-K44 PolarHBondContact O-N 3.21Å; L41-H45 WeakPolarHBondContact O-CB 3.34Å; L41-H45 PolarHBondContact O-N 2.85Å
42	V	76.9	Confident	73.6	Confident	87 Å²	87	86 Å²	86	53%	0.527	46%	0.458	S	S	.	.	H	α-helix	trans	-62.5	-42.9	175.9	171.7	0	0	0	0	110.8	T38 E39 H45 T46	T38-V42 WeakPolarHBondContact O-CG2 3.36Å; T38-V42 PolarHBondContact O-N 3.09Å; E39-V42 PolarHBondContact O-N 2.95Å; V42-H45 PolarHBondContact O-N 2.95Å; V42-T46 WeakPolarHBondContact O-CB 3.32Å; V42-T46 PolarHBondContact O-N 2.95Å; V42-T46 PolarHBondContact O-OG1 3.46Å
43	S	76	Confident	76.2	Confident	43 Å²	43	88.9 Å²	88.9	30%	0.301	46%	0.459	S	S	.	.	H	α-helix	trans	-60.4	-48.8	176	-175.6	0	0	0	0	111.4	E39 L40 L41 H45 T46 L47 I93	E39-S43 WeakPolarHBondContact O-CB 3.43Å; E39-S43 PolarHBondContact O-N 3.31Å; L40-S43 PolarHBondContact O-N 3.49Å; L41-S43 VanDerWaalsContact C-N 3.35Å; S43-H45 PolarHBondContact O-N 3.15Å; S43-T46 PolarHBondContact O-N 3.37Å; S43-L47 WeakPolarHBondContact O-CB 3.38Å; S43-L47 PolarHBondContact O-N 3.34Å; S43-I93 WeakPolarHBondContact OG-CG2 3.38Å
44	K	82.5	Confident	78.7	Confident	131 Å²	131	86.5 Å²	86.5	57%	0.57	44%	0.437	S	S	*	.	H	α-helix	trans	-59.9	-43.1	176.3	-75.6	-179.7	178.6	-176.7	0	112.9	L40 L41 K48	L40-K44 WeakPolarHBondContact O-CB 3.36Å; L40-K44 WeakPolarHBondContact O-CG 3.41Å; L40-K44 PolarHBondContact O-N 3.49Å; L41-K44 PolarHBondContact O-N 3.21Å; K44-K48 WeakPolarHBondContact O-CB 3.39Å; K44-K48 PolarHBondContact O-N 3.22Å
45	H	87.2	Confident	81.2	Confident	143 Å²	143	82 Å²	82	66%	0.662	42%	0.418	S	S	*	.	H	α-helix	trans	-66.1	-42	177.4	-175.6	-88.4	0	0	0	111.7	L41 V42 S43 K48 G49	L41-H45 WeakPolarHBondContact O-CB 3.34Å; L41-H45 PolarHBondContact O-N 2.85Å; V42-H45 PolarHBondContact O-N 2.95Å; S43-H45 PolarHBondContact O-N 3.15Å; H45-K48 PolarHBondContact O-N 2.98Å; H45-G49 PolarHBondContact O-N 3.23Å
46	T	88.1	Confident	83.2	Confident	60 Å²	60	85.3 Å²	85.3	37%	0.368	43%	0.426	S	S	.	.	H	α-helix	trans	-63.1	-44.9	177	-56.7	0	0	0	0	111.2	V42 S43 G49 K50 I93	V42-T46 WeakPolarHBondContact O-CB 3.32Å; V42-T46 PolarHBondContact O-N 2.95Å; V42-T46 PolarHBondContact O-OG1 3.46Å; S43-T46 PolarHBondContact O-N 3.37Å; T46-G49 PolarHBondContact O-N 3.1Å; T46-K50 HydrophobicContact CG2-CG 4.42Å; T46-K50 WeakPolarHBondContact O-CB 3.45Å; T46-K50 VanDerWaalsContact O-CG 3.31Å; T46-K50 WeakPolarHBondContact O-CG 3.37Å; T46-K50 PolarHBondContact O-N 3.45Å; T46-I93 HydrophobicContact CG2-CD1 3.88Å
47	L	90	Very high	85	Confident	36 Å²	36	82.5 Å²	82.5	19%	0.188	41%	0.411	C	S	.	.	H	α-helix	trans	-57.1	-51	174.7	177	62.5	0	0	0	111.1	S43 G49 K50 M51 I93 D96 L97	S43-L47 WeakPolarHBondContact O-CB 3.38Å; S43-L47 PolarHBondContact O-N 3.34Å; L47-G49 PolarHBondContact O-N 2.85Å; L47-K50 PolarHBondContact O-N 3.13Å; L47-M51 HydrophobicContact CD1-CE 4.47Å; L47-M51 VanDerWaalsContact O-CB 3.24Å; L47-M51 WeakPolarHBondContact O-CB 3.39Å; L47-M51 PolarHBondContact O-N 2.9Å; L47-I93 HydrophobicContact CB-CD1 4.26Å; L47-I93 HydrophobicContact CB-CG2 4.47Å; L47-I93 HydrophobicContact CD1-CB 4.37Å; L47-I93 HydrophobicContact CD1-CD1 4.42Å; L47-D96 HydrophobicContact CD1-CB 4.11Å; L47-D96 HydrophobicContact CD2-CB 3.88Å; L47-L97 HydrophobicContact CD1-CB 3.66Å; L47-L97 HydrophobicContact CD1-CD1 4.14Å; L47-L97 HydrophobicContact CD1-CG 4.47Å
48	K	92.1	Very high	86.6	Confident	144 Å²	144	77.1 Å²	77.1	63%	0.626	39%	0.386	S	S	*	.	H	α-helix	trans	-59.6	-44.4	178.5	-172.2	176.2	-176.8	176.7	0	112.5	K44 H45 N52	K44-K48 WeakPolarHBondContact O-CB 3.39Å; K44-K48 PolarHBondContact O-N 3.22Å; H45-K48 PolarHBondContact O-N 2.98Å; K48-N52 VanDerWaalsContact O-CG 3.32Å; K48-N52 PolarHBondContact O-N 2.87Å; K48-N52 VanDerWaalsContact O-N 3.1Å
49	G	92.7	Very high	88.1	Confident	41 Å²	41	76.2 Å²	76.2	42%	0.423	38%	0.378	S	S	.	.	H	α-helix	trans	-64.2	-42.7	178.5	0	0	0	0	0	113	H45 T46 L47 K53	H45-G49 PolarHBondContact O-N 3.23Å; T46-G49 PolarHBondContact O-N 3.1Å; L47-G49 PolarHBondContact O-N 2.85Å; G49-K53 PolarHBondContact O-N 2.9Å
50	K	93.6	Very high	89.5	Confident	79 Å²	79	80.6 Å²	80.6	34%	0.343	39%	0.392	S	S	.	.	H	α-helix	trans	-68.6	-41.9	176.9	-72.9	-81.9	-177	157.6	0	112	T46 L47 K53 F54 I93 L97	T46-K50 HydrophobicContact CG2-CG 4.42Å; T46-K50 WeakPolarHBondContact O-CB 3.45Å; T46-K50 VanDerWaalsContact O-CG 3.31Å; T46-K50 WeakPolarHBondContact O-CG 3.37Å; T46-K50 PolarHBondContact O-N 3.45Å; L47-K50 PolarHBondContact O-N 3.13Å; K50-K53 PolarHBondContact O-N 2.91Å; K50-F54 WeakPolarHBondContact O-CB 3.46Å; K50-F54 PolarHBondContact O-N 3.31Å; K50-I93 HydrophobicContact CB-CD1 4.42Å; K50-I93 HydrophobicContact CG-CD1 4.22Å; K50-L97 HydrophobicContact CB-CD1 4.1Å; K50-L97 HydrophobicContact CB-CD2 3.92Å
51	M	94.9	Very high	90.7	Very high	28 Å²	28	76.1 Å²	76.1	14%	0.138	37%	0.368	C	S	.	.	H	α-helix	trans	-55.5	-54	175.9	-172.3	65.1	74.4	0	0	110.6	L47 K53 F54 Q55 L97 L101	L47-M51 HydrophobicContact CD1-CE 4.47Å; L47-M51 VanDerWaalsContact O-CB 3.24Å; L47-M51 WeakPolarHBondContact O-CB 3.39Å; L47-M51 PolarHBondContact O-N 2.9Å; M51-K53 VanDerWaalsContact C-N 3.29Å; M51-K53 PolarHBondContact O-N 3.03Å; M51-F54 PolarHBondContact O-N 2.82Å; M51-F54 VanDerWaalsContact O-N 3.13Å; M51-Q55 HydrophobicContact CG-CG 4.42Å; M51-Q55 WeakPolarHBondContact O-CB 3.31Å; M51-Q55 WeakPolarHBondContact O-CG 3.5Å; M51-Q55 PolarHBondContact O-N 2.94Å; M51-L97 HydrophobicContact CB-CD1 4.02Å; M51-L97 HydrophobicContact CE-CD1 3.85Å; M51-L97 WeakPolarHBondContact CE-O 3.36Å; M51-L97 HydrophobicContact SD-CD1 4.02Å; M51-L101 HydrophobicContact SD-CD2 3.47Å; M51-L101 WeakPolarHBondContact SD-CD2 3.45Å; M51-L101 HydrophobicContact SD-CG 3.7Å
52	N	94.9	Very high	91.7	Very high	68 Å²	68	72.4 Å²	72.4	36%	0.364	35%	0.349	S	S	.	.	H	α-helix	trans	-58.3	-39.4	178.2	-71.1	-13.8	0	0	0	112.7	K48 R56	K48-N52 VanDerWaalsContact O-CG 3.32Å; K48-N52 PolarHBondContact O-N 2.87Å; K48-N52 VanDerWaalsContact O-N 3.1Å; N52-R56 WeakPolarHBondContact O-CG 3.48Å; N52-R56 PolarHBondContact O-N 3.27Å
53	K	95.7	Very high	92.5	Very high	124 Å²	124	71.6 Å²	71.6	54%	0.539	35%	0.347	S	S	.	.	H	α-helix	trans	-65.8	-44.5	177.6	-179.1	-179.9	177.3	178	0	111.3	G49 K50 M51 L57	G49-K53 PolarHBondContact O-N 2.9Å; K50-K53 PolarHBondContact O-N 2.91Å; M51-K53 VanDerWaalsContact C-N 3.29Å; M51-K53 PolarHBondContact O-N 3.03Å; K53-L57 WeakPolarHBondContact O-CG 3.32Å; K53-L57 PolarHBondContact O-N 3.1Å
54	F	96.3	Very high	93.4	Very high	13 Å²	13	71 Å²	71	6%	0.057	34%	0.341	C	S	.	.	H	α-helix	trans	-74.1	-36	-177.5	-74.3	-5.5	0	0	0	112.3	K50 M51 R56 L57 I58 V83 L97 L101	K50-F54 WeakPolarHBondContact O-CB 3.46Å; K50-F54 PolarHBondContact O-N 3.31Å; M51-F54 PolarHBondContact O-N 2.82Å; M51-F54 VanDerWaalsContact O-N 3.13Å; F54-R56 PolarHBondContact O-N 3.2Å; F54-L57 HydrophobicContact CD1-CD1 4.1Å; F54-L57 PolarHBondContact O-N 3.48Å; F54-L57 VanDerWaalsContact O-N 3.1Å; F54-I58 WeakPolarHBondContact O-CG1 3.37Å; F54-I58 PolarHBondContact O-N 3.32Å; F54-V83 HydrophobicContact CB-CG1 3.81Å; F54-V83 HydrophobicContact CD1-CG1 4.27Å; F54-V83 HydrophobicContact CD2-CG1 4.29Å; F54-V83 HydrophobicContact CG-CG1 3.9Å; F54-L97 HydrophobicContact CD2-CD1 4.29Å; F54-L97 HydrophobicContact CD2-CD2 3.83Å; F54-L97 HydrophobicContact CD2-CG 4.22Å; F54-L97 HydrophobicContact CE2-CD2 3.74Å; F54-L101 HydrophobicContact CB-CD1 3.69Å; F54-L101 HydrophobicContact CB-CD2 3.86Å; F54-L101 HydrophobicContact CB-CG 4.44Å; F54-L101 HydrophobicContact CD2-CD1 3.75Å; F54-L101 HydrophobicContact CG-CD1 4.21Å
55	Q	96.7	Very high	93.9	Very high	46 Å²	46	65.3 Å²	65.3	22%	0.215	32%	0.316	C	S	.	.	H	α-helix	trans	-55.8	-48.4	170.5	-73.8	174.5	-21.8	0	0	111.8	M51 L57 I58 D59 L101 Y104	M51-Q55 HydrophobicContact CG-CG 4.42Å; M51-Q55 WeakPolarHBondContact O-CB 3.31Å; M51-Q55 WeakPolarHBondContact O-CG 3.5Å; M51-Q55 PolarHBondContact O-N 2.94Å; Q55-L57 VanDerWaalsContact C-N 3.25Å; Q55-L57 PolarHBondContact O-N 3.4Å; Q55-I58 WeakPolarHBondContact O-CA 3.33Å; Q55-I58 WeakPolarHBondContact O-CB 3.39Å; Q55-I58 PolarHBondContact O-N 2.75Å; Q55-D59 PolarHBondContact O-N 2.84Å; Q55-L101 HydrophobicContact CG-CD2 3.9Å; Q55-Y104 HydrophobicContact CB-CD1 4.4Å; Q55-Y104 HydrophobicContact CB-CE1 4.03Å; Q55-Y104 HydrophobicContact CG-CD1 3.83Å; Q55-Y104 HydrophobicContact CG-CD2 4.25Å; Q55-Y104 HydrophobicContact CG-CE1 3.93Å; Q55-Y104 HydrophobicContact CG-CE2 4.37Å; Q55-Y104 HydrophobicContact CG-CG 3.98Å
56	R	96.2	Very high	94	Very high	183 Å²	183	63.2 Å²	63.2	69%	0.691	32%	0.318	S	S	*	.	H	α-helix	trans	-60	-33.7	176	-68.4	175.1	-168.1	174.1	2.9	113.6	N52 F54 R60	N52-R56 WeakPolarHBondContact O-CG 3.48Å; N52-R56 PolarHBondContact O-N 3.27Å; F54-R56 PolarHBondContact O-N 3.2Å; R56-R60 WeakPolarHBondContact O-CB 3.34Å; R56-R60 PolarHBondContact O-N 2.97Å; R56-R60 VanDerWaalsContact O-N 3.15Å
57	L	96.4	Very high	94.2	Very high	53 Å²	53	65 Å²	65	28%	0.277	32%	0.324	S	S	.	.	H	α-helix	trans	-73.5	-35.9	176	-68.9	175.9	0	0	0	111.5	K53 F54 Q55 R60 A61 V83	K53-L57 WeakPolarHBondContact O-CG 3.32Å; K53-L57 PolarHBondContact O-N 3.1Å; F54-L57 HydrophobicContact CD1-CD1 4.1Å; F54-L57 PolarHBondContact O-N 3.48Å; F54-L57 VanDerWaalsContact O-N 3.1Å; Q55-L57 VanDerWaalsContact C-N 3.25Å; Q55-L57 PolarHBondContact O-N 3.4Å; L57-R60 PolarHBondContact O-N 3.38Å; L57-A61 WeakPolarHBondContact O-CB 3.38Å; L57-A61 PolarHBondContact O-N 3.01Å; L57-V83 HydrophobicContact CB-CG2 3.81Å; L57-V83 HydrophobicContact CD1-CG2 4.06Å
58	I	96.1	Very high	94	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-61.9	-49.3	171.9	-70.4	173.1	0	0	0	109.7	F54 Q55 R60 A61 V62 L80 V83 L101 Y104 I105 F110	F54-I58 WeakPolarHBondContact O-CG1 3.37Å; F54-I58 PolarHBondContact O-N 3.32Å; Q55-I58 WeakPolarHBondContact O-CA 3.33Å; Q55-I58 WeakPolarHBondContact O-CB 3.39Å; Q55-I58 PolarHBondContact O-N 2.75Å; I58-R60 VanDerWaalsContact C-N 3.29Å; I58-R60 PolarHBondContact O-N 3.42Å; I58-A61 CarbonylContact O-C 3.6Å; I58-A61 WeakPolarHBondContact O-CA 3.49Å; I58-A61 WeakPolarHBondContact O-CB 3.26Å; I58-A61 PolarHBondContact O-N 3.31Å; I58-V62 HydrophobicContact CG2-CG2 4.32Å; I58-V62 WeakPolarHBondContact O-CG2 3.49Å; I58-V62 PolarHBondContact O-N 2.9Å; I58-L80 HydrophobicContact CB-CD2 4.06Å; I58-L80 HydrophobicContact CG1-CD2 3.92Å; I58-L80 HydrophobicContact CG2-CD2 3.81Å; I58-V83 HydrophobicContact CD1-CG1 4.48Å; I58-V83 HydrophobicContact CG1-CG1 4.12Å; I58-L101 HydrophobicContact CD1-CB 4.24Å; I58-L101 HydrophobicContact CD1-CD2 3.78Å; I58-L101 HydrophobicContact CD1-CG 4.41Å; I58-Y104 HydrophobicContact CD1-CD1 4.4Å; I58-Y104 HydrophobicContact CG2-CD1 4.35Å; I58-Y104 HydrophobicContact CG2-CE1 4.16Å; I58-I105 HydrophobicContact CD1-CD1 4.18Å; I58-I105 HydrophobicContact CD1-CG1 4.15Å; I58-I105 HydrophobicContact CG2-CG1 4.24Å; I58-F110 HydrophobicContact CG2-CD2 3.82Å; I58-F110 HydrophobicContact CG2-CE2 3.9Å
59	D	96.1	Very high	94	Very high	63 Å²	63	62.3 Å²	62.3	34%	0.337	33%	0.329	S	S	.	.	H	α-helix	trans	-56.8	-43.7	178	-64.9	-30.7	0	0	0	112.1	Q55 A61 V62 S63 Y104	Q55-D59 PolarHBondContact O-N 2.84Å; D59-A61 VanDerWaalsContact C-N 3.31Å; D59-A61 PolarHBondContact O-N 3.08Å; D59-V62 PolarHBondContact O-N 2.81Å; D59-S63 PolarHBondContact O-N 2.99Å; D59-Y104 PolarHBondContact OD1-OH 3.36Å; D59-Y104 PolarHBondContact OD2-OH 3.24Å
60	R	94.6	Very high	94	Very high	165 Å²	165	62.8 Å²	62.8	62%	0.623	32%	0.324	S	S	*	.	H	α-helix	trans	-63.7	-37.1	174.6	-180	178.2	176.2	-179.5	-0.4	112.3	R56 L57 I58 S63 L64	R56-R60 WeakPolarHBondContact O-CB 3.34Å; R56-R60 PolarHBondContact O-N 2.97Å; R56-R60 VanDerWaalsContact O-N 3.15Å; L57-R60 PolarHBondContact O-N 3.38Å; I58-R60 VanDerWaalsContact C-N 3.29Å; I58-R60 PolarHBondContact O-N 3.42Å; R60-S63 PolarHBondContact O-OG 2.85Å; R60-L64 PolarHBondContact O-N 3Å
61	A	95.3	Very high	94.1	Very high	0 Å²	0	65 Å²	65	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-70.7	-39.2	178.7	0	0	0	0	0	111.2	L57 I58 D59 S63 L64 L65 L79 L80	L57-A61 WeakPolarHBondContact O-CB 3.38Å; L57-A61 PolarHBondContact O-N 3.01Å; I58-A61 CarbonylContact O-C 3.6Å; I58-A61 WeakPolarHBondContact O-CA 3.49Å; I58-A61 WeakPolarHBondContact O-CB 3.26Å; I58-A61 PolarHBondContact O-N 3.31Å; D59-A61 VanDerWaalsContact C-N 3.31Å; D59-A61 PolarHBondContact O-N 3.08Å; A61-S63 VanDerWaalsContact C-N 3.34Å; A61-L64 WeakPolarHBondContact O-CB 3.38Å; A61-L64 PolarHBondContact O-N 3.24Å; A61-L65 PolarHBondContact O-N 2.82Å; A61-L79 HydrophobicContact CB-CB 4.01Å; A61-L79 HydrophobicContact CB-CD2 3.76Å; A61-L79 HydrophobicContact CB-CG 3.9Å; A61-L80 HydrophobicContact CB-CD1 4.47Å; A61-L80 HydrophobicContact CB-CD2 3.7Å; A61-L80 HydrophobicContact CB-CG 3.59Å
62	V	93.9	Very high	94.1	Very high	14 Å²	14	64.4 Å²	64.4	9%	0.085	34%	0.338	C	S	.	.	H	α-helix	trans	-64.7	-38.5	175.6	174.6	0	0	0	0	111.2	I58 D59 L64 L65 S66 F110	I58-V62 HydrophobicContact CG2-CG2 4.32Å; I58-V62 WeakPolarHBondContact O-CG2 3.49Å; I58-V62 PolarHBondContact O-N 2.9Å; D59-V62 PolarHBondContact O-N 2.81Å; V62-L64 PolarHBondContact O-N 3.29Å; V62-L65 WeakPolarHBondContact O-CA 3.32Å; V62-L65 VanDerWaalsContact O-CB 3.31Å; V62-L65 WeakPolarHBondContact O-CB 3.22Å; V62-L65 PolarHBondContact O-N 3.08Å; V62-S66 PolarHBondContact O-N 3.12Å; V62-S66 VanDerWaalsContact O-N 3.09Å; V62-S66 PolarHBondContact O-OG 3.5Å; V62-F110 HydrophobicContact CB-CD1 4.42Å; V62-F110 HydrophobicContact CB-CE1 4.3Å; V62-F110 HydrophobicContact CB-CZ 4.38Å; V62-F110 HydrophobicContact CG1-CD1 3.78Å; V62-F110 HydrophobicContact CG1-CE1 3.69Å; V62-F110 HydrophobicContact CG1-CG 4.42Å; V62-F110 HydrophobicContact CG1-CZ 4.23Å; V62-F110 HydrophobicContact CG2-CB 4.26Å; V62-F110 HydrophobicContact CG2-CD1 3.91Å; V62-F110 HydrophobicContact CG2-CD2 3.69Å; V62-F110 HydrophobicContact CG2-CE1 4.13Å; V62-F110 HydrophobicContact CG2-CE2 3.91Å; V62-F110 HydrophobicContact CG2-CG 3.69Å; V62-F110 HydrophobicContact CG2-CZ 4.12Å
63	S	94.1	Very high	94.1	Very high	70 Å²	70	61.8 Å²	61.8	49%	0.49	32%	0.324	S	S	.	.	H	α-helix	trans	-62.5	-29.2	175.8	73.2	0	0	0	0	113.2	D59 R60 A61 S66	D59-S63 PolarHBondContact O-N 2.99Å; R60-S63 PolarHBondContact O-OG 2.85Å; A61-S63 VanDerWaalsContact C-N 3.34Å; S63-S66 PolarHBondContact O-N 3.45Å
64	L	93.5	Very high	94.1	Very high	31 Å²	31	57.4 Å²	57.4	16%	0.162	31%	0.308	C	S	.	.	H	α-helix	trans	-69.3	-37.4	170.5	-65.4	172.6	0	0	0	112.2	R60 A61 V62 S66 I67 S72 E75	R60-L64 PolarHBondContact O-N 3Å; A61-L64 WeakPolarHBondContact O-CB 3.38Å; A61-L64 PolarHBondContact O-N 3.24Å; V62-L64 PolarHBondContact O-N 3.29Å; L64-S66 VanDerWaalsContact C-N 3.26Å; L64-S66 PolarHBondContact O-N 2.94Å; L64-I67 HydrophobicContact CD2-CD1 3.96Å; L64-I67 WeakPolarHBondContact O-CB 3.45Å; L64-I67 PolarHBondContact O-N 3.38Å; L64-S72 WeakPolarHBondContact O-CB 3.48Å; L64-E75 HydrophobicContact CD1-CG 4.1Å
65	L	93.1	Very high	94.1	Very high	11 Å²	11	62.4 Å²	62.4	6%	0.058	33%	0.332	C	S	.	.	H	α-helix	trans	-61.2	-38.8	175.3	-55.2	-177.5	0	0	0	111	A61 V62 I67 G68 I73 L80 L114 L117	A61-L65 PolarHBondContact O-N 2.82Å; V62-L65 WeakPolarHBondContact O-CA 3.32Å; V62-L65 VanDerWaalsContact O-CB 3.31Å; V62-L65 WeakPolarHBondContact O-CB 3.22Å; V62-L65 PolarHBondContact O-N 3.08Å; L65-I67 PolarHBondContact O-N 3.5Å; L65-G68 PolarHBondContact O-N 3.27Å; L65-G68 VanDerWaalsContact O-N 3.16Å; L65-I73 HydrophobicContact CD2-CB 4.47Å; L65-I73 HydrophobicContact CD2-CG2 4.16Å; L65-I73 WeakPolarHBondContact CD2-O 3.31Å; L65-L80 HydrophobicContact CD1-CD1 4Å; L65-L114 HydrophobicContact CD1-CD2 4.22Å; L65-L117 HydrophobicContact CD1-CD1 4.29Å; L65-L117 HydrophobicContact CD2-CD1 4.35Å
66	S	90.4	Very high	94.1	Very high	99 Å²	99	60.2 Å²	60.2	69%	0.692	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-16.8	179.5	-52.6	0	0	0	0	114.4	V62 S63 L64 G68	V62-S66 PolarHBondContact O-N 3.12Å; V62-S66 VanDerWaalsContact O-N 3.09Å; V62-S66 PolarHBondContact O-OG 3.5Å; S63-S66 PolarHBondContact O-N 3.45Å; L64-S66 VanDerWaalsContact C-N 3.26Å; L64-S66 PolarHBondContact O-N 2.94Å; S66-G68 PolarHBondContact O-N 2.9Å
67	I	91.2	Very high	94.1	Very high	96 Å²	96	51.6 Å²	51.6	49%	0.492	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-28.2	175.1	-58.4	174.3	0	0	0	110.9	L64 L65 N69	L64-I67 HydrophobicContact CD2-CD1 3.96Å; L64-I67 WeakPolarHBondContact O-CB 3.45Å; L64-I67 PolarHBondContact O-N 3.38Å; L65-I67 PolarHBondContact O-N 3.5Å; I67-N69 VanDerWaalsContact C-N 3.29Å; I67-N69 VanDerWaalsContact CG2-ND2 3.32Å; I67-N69 WeakPolarHBondContact CG2-ND2 3.17Å; I67-N69 PolarHBondContact O-N 2.9Å
68	G	85.7	Confident	94.1	Very high	53 Å²	53	51.4 Å²	51.4	55%	0.546	30%	0.296	S	S	.	.			trans	80.2	-7.5	170.3	0	0	0	0	0	116.5	L65 S66	L65-G68 PolarHBondContact O-N 3.27Å; L65-G68 VanDerWaalsContact O-N 3.16Å; S66-G68 PolarHBondContact O-N 2.9Å
69	N	92.1	Very high	94.1	Very high	72 Å²	72	53 Å²	53	39%	0.385	30%	0.304	S	S	.	.	S	Bend	trans	-84.1	152.8	171.9	80.1	61.5	0	0	0	111.3	I67 N71 S72 I73	I67-N69 VanDerWaalsContact C-N 3.29Å; I67-N69 VanDerWaalsContact CG2-ND2 3.32Å; I67-N69 WeakPolarHBondContact CG2-ND2 3.17Å; I67-N69 PolarHBondContact O-N 2.9Å; N69-N71 VanDerWaalsContact C-N 3.33Å; N69-N71 PolarHBondContact O-N 3.4Å; N69-N71 PolarHBondContact OD1-N 2.87Å; N69-N71 VanDerWaalsContact OD1-N 3.08Å; N69-S72 PolarHBondContact ND2-OG 2.93Å; N69-S72 PolarHBondContact O-N 3.29Å; N69-S72 PolarHBondContact OD1-N 3.24Å; N69-S72 PolarHBondContact OD1-OG 2.91Å; N69-I73 VanDerWaalsContact O-CG1 3.28Å; N69-I73 WeakPolarHBondContact O-CG1 3.42Å; N69-I73 PolarHBondContact O-N 3.3Å
70	V	93.6	Very high	94.1	Very high	50 Å²	50	50.1 Å²	50.1	30%	0.303	29%	0.289	S	S	.	.	H	α-helix	trans	-57	-43.4	-174.6	175.7	0	0	0	0	112.4	I73 C74 T124 Q126 V127	V70-I73 PolarHBondContact O-N 2.92Å; V70-C74 WeakPolarHBondContact O-CB 3.38Å; V70-C74 PolarHBondContact O-N 3.21Å; V70-C74 PolarHBondContact O-SG 2.92Å; V70-T124 HydrophobicContact CG2-CG2 4.09Å; V70-Q126 HydrophobicContact CG1-CB 4.42Å; V70-V127 HydrophobicContact CG1-CG2 4.13Å; V70-V127 HydrophobicContact CG2-CG2 4.34Å
71	N	94.6	Very high	94.1	Very high	125 Å²	125	43.4 Å²	43.4	67%	0.668	27%	0.268	S	S	*	.	H	α-helix	trans	-66	-46.2	-177	-67.6	-25.4	0	0	0	111.8	N69 C74 E75	N69-N71 VanDerWaalsContact C-N 3.33Å; N69-N71 PolarHBondContact O-N 3.4Å; N69-N71 PolarHBondContact OD1-N 2.87Å; N69-N71 VanDerWaalsContact OD1-N 3.08Å; N71-C74 PolarHBondContact O-N 3.28Å; N71-E75 WeakPolarHBondContact O-CB 3.49Å; N71-E75 PolarHBondContact O-N 3.31Å
72	S	95.4	Very high	94	Very high	17 Å²	17	51.7 Å²	51.7	12%	0.119	30%	0.3	C	S	.	.	H	α-helix	trans	-66.4	-38	178.1	-60.2	0	0	0	0	111.8	L64 N69 E75 G76	L64-S72 WeakPolarHBondContact O-CB 3.48Å; N69-S72 PolarHBondContact ND2-OG 2.93Å; N69-S72 PolarHBondContact O-N 3.29Å; N69-S72 PolarHBondContact OD1-N 3.24Å; N69-S72 PolarHBondContact OD1-OG 2.91Å; S72-E75 PolarHBondContact O-N 2.94Å; S72-G76 PolarHBondContact O-N 3.15Å
73	I	95.4	Very high	94.1	Very high	12 Å²	12	51.3 Å²	51.3	6%	0.062	30%	0.297	C	S	.	.	H	α-helix	trans	-62.3	-50.4	173.4	-68.9	165.5	0	0	0	110.4	L65 N69 V70 E75 G76 C77 L117 V127	L65-I73 HydrophobicContact CD2-CB 4.47Å; L65-I73 HydrophobicContact CD2-CG2 4.16Å; L65-I73 WeakPolarHBondContact CD2-O 3.31Å; N69-I73 VanDerWaalsContact O-CG1 3.28Å; N69-I73 WeakPolarHBondContact O-CG1 3.42Å; N69-I73 PolarHBondContact O-N 3.3Å; V70-I73 PolarHBondContact O-N 2.92Å; I73-E75 VanDerWaalsContact C-N 3.32Å; I73-E75 PolarHBondContact O-N 2.89Å; I73-G76 PolarHBondContact O-N 3.45Å; I73-C77 WeakPolarHBondContact O-CB 3.47Å; I73-C77 PolarHBondContact O-N 2.8Å; I73-C77 PolarHBondContact O-SG 3.29Å; I73-C77 VanDerWaalsContact O-SG 3.4Å; I73-L117 HydrophobicContact CD1-CD2 4.05Å; I73-L117 HydrophobicContact CG2-CD1 4.1Å; I73-L117 HydrophobicContact CG2-CD2 4.35Å; I73-V127 HydrophobicContact CB-CG2 4.43Å; I73-V127 HydrophobicContact CD1-CG2 4.48Å; I73-V127 HydrophobicContact CG2-CB 4.47Å; I73-V127 HydrophobicContact CG2-CG1 3.89Å; I73-V127 HydrophobicContact CG2-CG2 4.02Å
74	C	95.3	Very high	94.1	Very high	32 Å²	32	48 Å²	48	22%	0.216	27%	0.274	C	S	.	.	H	α-helix	trans	-62.2	-38.9	179.4	-71.3	0	0	0	0	112.2	V70 N71 A78	V70-C74 WeakPolarHBondContact O-CB 3.38Å; V70-C74 PolarHBondContact O-N 3.21Å; V70-C74 PolarHBondContact O-SG 2.92Å; N71-C74 PolarHBondContact O-N 3.28Å; C74-A78 VanDerWaalsContact O-CB 3.26Å; C74-A78 WeakPolarHBondContact O-CB 3.44Å; C74-A78 PolarHBondContact O-N 3.17Å
75	E	96.1	Very high	93.9	Very high	119 Å²	119	51.5 Å²	51.5	56%	0.556	29%	0.288	S	S	*	.	H	α-helix	trans	-65.2	-45.8	175.2	-172.1	-178.7	175.9	0	0	111.8	L64 N71 S72 I73 A78 L79	L64-E75 HydrophobicContact CD1-CG 4.1Å; N71-E75 WeakPolarHBondContact O-CB 3.49Å; N71-E75 PolarHBondContact O-N 3.31Å; S72-E75 PolarHBondContact O-N 2.94Å; I73-E75 VanDerWaalsContact C-N 3.32Å; I73-E75 PolarHBondContact O-N 2.89Å; E75-A78 PolarHBondContact O-N 3.14Å; E75-L79 PolarHBondContact O-N 2.97Å
76	G	96.8	Very high	93.9	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-59.1	-48.4	175	0	0	0	0	0	112	S72 I73 A78 L79 L80	S72-G76 PolarHBondContact O-N 3.15Å; I73-G76 PolarHBondContact O-N 3.45Å; G76-A78 PolarHBondContact O-N 3.08Å; G76-L79 PolarHBondContact O-N 2.8Å; G76-L80 WeakPolarHBondContact O-CG 3.43Å; G76-L80 PolarHBondContact O-N 3.18Å
77	C	96.9	Very high	93.9	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.007	27%	0.269	C	S	.	.	H	α-helix	trans	-61.3	-42.1	175.5	-72.2	0	0	0	0	112.3	I73 L79 L80 A81 A130 V134	I73-C77 WeakPolarHBondContact O-CB 3.47Å; I73-C77 PolarHBondContact O-N 2.8Å; I73-C77 PolarHBondContact O-SG 3.29Å; I73-C77 VanDerWaalsContact O-SG 3.4Å; C77-L79 VanDerWaalsContact C-N 3.3Å; C77-L79 PolarHBondContact O-N 3.12Å; C77-L80 PolarHBondContact O-N 2.81Å; C77-A81 WeakPolarHBondContact O-CB 3.4Å; C77-A81 PolarHBondContact O-N 3.44Å; C77-A130 HydrophobicContact CB-CB 3.73Å; C77-V134 HydrophobicContact CB-CG2 3.78Å; C77-V134 WeakPolarHBondContact O-CG2 3.24Å
78	A	95.5	Very high	93.8	Very high	50 Å²	50	46.5 Å²	46.5	41%	0.413	26%	0.255	S	S	.	.	H	α-helix	trans	-64.1	-36.2	177.4	0	0	0	0	0	112.3	C74 E75 G76 R82	C74-A78 VanDerWaalsContact O-CB 3.26Å; C74-A78 WeakPolarHBondContact O-CB 3.44Å; C74-A78 PolarHBondContact O-N 3.17Å; E75-A78 PolarHBondContact O-N 3.14Å; G76-A78 PolarHBondContact O-N 3.08Å; A78-R82 WeakPolarHBondContact O-CB 3.13Å; A78-R82 PolarHBondContact O-N 2.97Å; A78-R82 VanDerWaalsContact O-N 3.15Å
79	L	96.2	Very high	93.8	Very high	33 Å²	33	46.3 Å²	46.3	17%	0.173	24%	0.243	C	C	.	.	H	α-helix	trans	-67.5	-46.7	173.8	-178.6	58.2	0	0	0	111.2	A61 E75 G76 C77 R82 V83	A61-L79 HydrophobicContact CB-CB 4.01Å; A61-L79 HydrophobicContact CB-CD2 3.76Å; A61-L79 HydrophobicContact CB-CG 3.9Å; E75-L79 PolarHBondContact O-N 2.97Å; G76-L79 PolarHBondContact O-N 2.8Å; C77-L79 VanDerWaalsContact C-N 3.3Å; C77-L79 PolarHBondContact O-N 3.12Å; L79-R82 PolarHBondContact O-N 3.11Å; L79-V83 HydrophobicContact CD1-CG2 4.28Å; L79-V83 WeakPolarHBondContact O-CG2 3.45Å; L79-V83 PolarHBondContact O-N 3.29Å
80	L	96.6	Very high	93.6	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.016	23%	0.229	C	C	.	.	H	α-helix	trans	-56.9	-51.9	176.2	-75	173.3	0	0	0	111.8	I58 A61 L65 G76 C77 R82 V83 L84 L114 V134	I58-L80 HydrophobicContact CB-CD2 4.06Å; I58-L80 HydrophobicContact CG1-CD2 3.92Å; I58-L80 HydrophobicContact CG2-CD2 3.81Å; A61-L80 HydrophobicContact CB-CD1 4.47Å; A61-L80 HydrophobicContact CB-CD2 3.7Å; A61-L80 HydrophobicContact CB-CG 3.59Å; L65-L80 HydrophobicContact CD1-CD1 4Å; G76-L80 WeakPolarHBondContact O-CG 3.43Å; G76-L80 PolarHBondContact O-N 3.18Å; C77-L80 PolarHBondContact O-N 2.81Å; L80-R82 VanDerWaalsContact C-N 3.25Å; L80-R82 PolarHBondContact O-N 2.78Å; L80-V83 PolarHBondContact O-N 3.42Å; L80-V83 VanDerWaalsContact O-N 3.14Å; L80-L84 WeakPolarHBondContact O-CG 3.48Å; L80-L84 PolarHBondContact O-N 3.12Å; L80-L114 HydrophobicContact CD1-CD2 4.17Å; L80-V134 HydrophobicContact CB-CG1 3.8Å; L80-V134 HydrophobicContact CB-CG2 3.9Å; L80-V134 HydrophobicContact CD1-CG1 4.1Å
81	A	94.5	Very high	93	Very high	23 Å²	23	46 Å²	46	19%	0.19	25%	0.246	C	C	.	.	H	α-helix	trans	-58.8	-38.8	179.5	0	0	0	0	0	111.7	C77 K85 V134	C77-A81 WeakPolarHBondContact O-CB 3.4Å; C77-A81 PolarHBondContact O-N 3.44Å; A81-K85 WeakPolarHBondContact O-CB 3.12Å; A81-K85 PolarHBondContact O-N 3.4Å; A81-V134 HydrophobicContact CB-CG2 4.19Å
82	R	94	Very high	92.1	Very high	174 Å²	174	46.6 Å²	46.6	66%	0.657	24%	0.242	S	C	*	.	H	α-helix	trans	-67.5	-41.7	176.9	-167.9	-174.4	-53.6	158.6	6.5	112.3	A78 L79 L80 S86	A78-R82 WeakPolarHBondContact O-CB 3.13Å; A78-R82 PolarHBondContact O-N 2.97Å; A78-R82 VanDerWaalsContact O-N 3.15Å; L79-R82 PolarHBondContact O-N 3.11Å; L80-R82 VanDerWaalsContact C-N 3.25Å; L80-R82 PolarHBondContact O-N 2.78Å; R82-S86 VanDerWaalsContact O-CB 3.24Å; R82-S86 WeakPolarHBondContact O-CB 3.21Å; R82-S86 PolarHBondContact O-N 3Å
83	V	95.3	Very high	91.5	Very high	7 Å²	7	46.1 Å²	46.1	4%	0.042	24%	0.238	C	C	.	.	H	α-helix	trans	-64	-48.1	177.8	172.3	0	0	0	0	110.4	F54 L57 I58 L79 L80 S86 S87	F54-V83 HydrophobicContact CB-CG1 3.81Å; F54-V83 HydrophobicContact CD1-CG1 4.27Å; F54-V83 HydrophobicContact CD2-CG1 4.29Å; F54-V83 HydrophobicContact CG-CG1 3.9Å; L57-V83 HydrophobicContact CB-CG2 3.81Å; L57-V83 HydrophobicContact CD1-CG2 4.06Å; I58-V83 HydrophobicContact CD1-CG1 4.48Å; I58-V83 HydrophobicContact CG1-CG1 4.12Å; L79-V83 HydrophobicContact CD1-CG2 4.28Å; L79-V83 WeakPolarHBondContact O-CG2 3.45Å; L79-V83 PolarHBondContact O-N 3.29Å; L80-V83 PolarHBondContact O-N 3.42Å; L80-V83 VanDerWaalsContact O-N 3.14Å; V83-S86 CarbonylContact O-C 3.57Å; V83-S86 WeakPolarHBondContact O-CB 3.45Å; V83-S86 PolarHBondContact O-N 3.5Å; V83-S87 PolarHBondContact O-N 3.4Å
84	L	93.8	Very high	91.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.7	-45.1	178.6	-70.6	167.9	0	0	0	112.1	L80 S86 S87 W88 L101 I105 V134 E137 C138	L80-L84 WeakPolarHBondContact O-CG 3.48Å; L80-L84 PolarHBondContact O-N 3.12Å; L84-S86 PolarHBondContact O-N 3Å; L84-S87 WeakPolarHBondContact CA-OG 3.27Å; L84-S87 PolarHBondContact O-N 2.97Å; L84-S87 VanDerWaalsContact O-N 3.1Å; L84-S87 PolarHBondContact O-OG 3.49Å; L84-W88 PolarHBondContact O-N 3.01Å; L84-W88 VanDerWaalsContact O-N 3.07Å; L84-L101 HydrophobicContact CD2-CB 4.22Å; L84-I105 HydrophobicContact CD1-CD1 3.91Å; L84-I105 HydrophobicContact CD2-CD1 3.81Å; L84-I105 HydrophobicContact CG-CD1 4.25Å; L84-V134 HydrophobicContact CD1-CG1 4.09Å; L84-E137 HydrophobicContact CB-CB 3.84Å; L84-E137 HydrophobicContact CD1-CB 3.97Å; L84-C138 HydrophobicContact CD1-CB 3.83Å
85	K	90.5	Very high	90.5	Very high	104 Å²	104	46.2 Å²	46.2	45%	0.452	24%	0.241	S	C	.	.	H	α-helix	trans	-61.8	-36.3	174.4	-171.7	171.8	-176.6	174.2	0	112.1	A81 T89	A81-K85 WeakPolarHBondContact O-CB 3.12Å; A81-K85 PolarHBondContact O-N 3.4Å; K85-T89 WeakPolarHBondContact O-CG2 3.31Å; K85-T89 PolarHBondContact O-N 3.34Å; K85-T89 PolarHBondContact O-OG1 3.38Å
86	S	91.6	Very high	90	Very high	49 Å²	49	45.4 Å²	45.4	34%	0.343	24%	0.24	S	C	.	.	H	α-helix	trans	-68.9	-31.8	175.2	-171.7	0	0	0	0	112.6	R82 V83 L84 T89 T90	R82-S86 VanDerWaalsContact O-CB 3.24Å; R82-S86 WeakPolarHBondContact O-CB 3.21Å; R82-S86 PolarHBondContact O-N 3Å; V83-S86 CarbonylContact O-C 3.57Å; V83-S86 WeakPolarHBondContact O-CB 3.45Å; V83-S86 PolarHBondContact O-N 3.5Å; L84-S86 PolarHBondContact O-N 3Å; S86-T89 WeakPolarHBondContact CA-OG1 3.37Å; S86-T89 PolarHBondContact O-OG1 3.33Å; S86-T90 PolarHBondContact O-N 3.09Å; S86-T90 PolarHBondContact O-OG1 3.47Å
87	S	92.1	Very high	89.7	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-68	-46.3	174	55.7	0	0	0	0	111.3	V83 L84 T89 T90 G94 A98	V83-S87 PolarHBondContact O-N 3.4Å; L84-S87 WeakPolarHBondContact CA-OG 3.27Å; L84-S87 PolarHBondContact O-N 2.97Å; L84-S87 VanDerWaalsContact O-N 3.1Å; L84-S87 PolarHBondContact O-OG 3.49Å; S87-T89 PolarHBondContact O-N 3.1Å; S87-T90 PolarHBondContact O-N 3.36Å; S87-T90 VanDerWaalsContact O-N 3.12Å; S87-G94 CarbonylContact O-C 3.59Å; S87-G94 WeakPolarHBondContact O-CA 3.24Å; S87-A98 WeakPolarHBondContact OG-CB 3.47Å
88	W	87.4	Confident	89.5	Confident	52 Å²	52	45.3 Å²	45.3	20%	0.197	24%	0.24	C	C	.	.	H	α-helix	trans	-59.7	-28.9	177.3	-69.2	119.2	0	0	0	113.2	L84 A98 H99 E137 Y301 Q305	L84-W88 PolarHBondContact O-N 3.01Å; L84-W88 VanDerWaalsContact O-N 3.07Å; W88-A98 HydrophobicContact CD2-CB 3.23Å; W88-A98 HydrophobicContact CE3-CB 3.33Å; W88-A98 HydrophobicContact CG-CB 3.84Å; W88-A98 HydrophobicContact CH2-CB 3.69Å; W88-A98 HydrophobicContact CZ2-CB 3.63Å; W88-A98 HydrophobicContact CZ3-CB 3.55Å; W88-H99 AromaticContact CH2-CE1 3.64Å; W88-H99 AromaticContact CH2-ND1 3.87Å; W88-H99 AromaticContact CH2-NE2 3.89Å; W88-H99 AromaticContact CZ3-CE1 3.69Å; W88-H99 AromaticContact CZ3-ND1 3.91Å; W88-E137 PolarHBondContact NE1-O 3.12Å; W88-E137 VanDerWaalsContact NE1-O 3.14Å; W88-Y301 HydrophobicContact CB-CD2 4.2Å; W88-Y301 HydrophobicContact CB-CE2 4.19Å; W88-Q305 WeakPolarHBondContact O-CG 3.47Å; W88-Q305 PolarHBondContact O-NE2 3.32Å
89	T	86.4	Confident	89.3	Confident	50 Å²	50	46 Å²	46	31%	0.307	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	2.8	-178.8	48.5	0	0	0	0	114	K85 S86 S87 P91 Y301	K85-T89 WeakPolarHBondContact O-CG2 3.31Å; K85-T89 PolarHBondContact O-N 3.34Å; K85-T89 PolarHBondContact O-OG1 3.38Å; S86-T89 WeakPolarHBondContact CA-OG1 3.37Å; S86-T89 PolarHBondContact O-OG1 3.33Å; S87-T89 PolarHBondContact O-N 3.1Å; T89-P91 WeakPolarHBondContact O-CD 3.21Å; T89-Y301 HydrophobicContact CG2-CD2 4.18Å; T89-Y301 HydrophobicContact CG2-CG 4.28Å
90	T	87	Confident	89.2	Confident	15 Å²	15	45.5 Å²	45.5	9%	0.092	24%	0.237	C	C	.	.	S	Bend	trans	-72.1	124.2	179.8	-62.4	0	0	0	0	110.1	S86 S87 I93 G94 L97 Q305	S86-T90 PolarHBondContact O-N 3.09Å; S86-T90 PolarHBondContact O-OG1 3.47Å; S87-T90 PolarHBondContact O-N 3.36Å; S87-T90 VanDerWaalsContact O-N 3.12Å; T90-I93 HydrophobicContact CG2-CD1 3.99Å; T90-I93 HydrophobicContact CG2-CG1 3.64Å; T90-G94 WeakPolarHBondContact O-CA 3.22Å; T90-G94 PolarHBondContact O-N 3.36Å; T90-L97 HydrophobicContact CG2-CD2 4.35Å; T90-Q305 PolarHBondContact O-NE2 3.12Å; T90-Q305 VanDerWaalsContact O-NE2 3.08Å
91	P	81.3	Confident	89.1	Confident	100 Å²	100	45.3 Å²	45.3	65%	0.649	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	144.4	-178.3	-25.3	34.7	0	0	0	113	T89 I93	T89-P91 WeakPolarHBondContact O-CD 3.21Å; P91-I93 PolarHBondContact O-N 2.76Å
92	K	77	Confident	89.2	Confident	138 Å²	138	44.2 Å²	44.2	60%	0.6	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.4	-35.9	177.4	-57.5	-169	172.3	-156.3	0	117.1	E345	K92-E345 IonicContact NZ-OE1 2.92Å
93	I	83	Confident	89.3	Confident	6 Å²	6	38.2 Å²	38.2	3%	0.031	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.9	4.8	-175.1	60.7	162.1	0	0	0	113.6	S43 T46 L47 K50 T90 P91 S95 D96 L97	S43-I93 WeakPolarHBondContact OG-CG2 3.38Å; T46-I93 HydrophobicContact CG2-CD1 3.88Å; L47-I93 HydrophobicContact CB-CD1 4.26Å; L47-I93 HydrophobicContact CB-CG2 4.47Å; L47-I93 HydrophobicContact CD1-CB 4.37Å; L47-I93 HydrophobicContact CD1-CD1 4.42Å; K50-I93 HydrophobicContact CB-CD1 4.42Å; K50-I93 HydrophobicContact CG-CD1 4.22Å; T90-I93 HydrophobicContact CG2-CD1 3.99Å; T90-I93 HydrophobicContact CG2-CG1 3.64Å; P91-I93 PolarHBondContact O-N 2.76Å; I93-S95 PolarHBondContact O-N 2.79Å; I93-D96 PolarHBondContact O-N 2.94Å; I93-L97 WeakPolarHBondContact O-CB 3.4Å; I93-L97 PolarHBondContact O-N 3.21Å
94	G	85.8	Confident	89.3	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.7	-40.1	-168.7	0	0	0	0	0	113.8	S87 T90 A98	S87-G94 CarbonylContact O-C 3.59Å; S87-G94 WeakPolarHBondContact O-CA 3.24Å; T90-G94 WeakPolarHBondContact O-CA 3.22Å; T90-G94 PolarHBondContact O-N 3.36Å; G94-A98 VanDerWaalsContact O-CB 3.24Å; G94-A98 WeakPolarHBondContact O-CB 3.36Å; G94-A98 PolarHBondContact O-N 2.92Å
95	S	83	Confident	89.5	Confident	47 Å²	47	40.5 Å²	40.5	33%	0.329	22%	0.216	S	C	.	.	H	α-helix	trans	-60.6	-56	176.6	-176.5	0	0	0	0	111.7	I93 L97 A98 H99	I93-S95 PolarHBondContact O-N 2.79Å; S95-L97 VanDerWaalsContact C-N 3.31Å; S95-L97 PolarHBondContact O-N 2.96Å; S95-A98 PolarHBondContact O-N 2.82Å; S95-H99 PolarHBondContact O-N 3.04Å; S95-H99 PolarHBondContact O-ND1 3.44Å; S95-H99 PolarHBondContact OG-CE1 3.05Å; S95-H99 PolarHBondContact OG-ND1 3.31Å
96	D	85.3	Confident	89.7	Confident	101 Å²	101	37.7 Å²	37.7	54%	0.54	20%	0.202	S	C	.	.	H	α-helix	trans	-62.7	-39.9	-178.4	-62.7	-18.9	0	0	0	111.7	L47 I93 G100	L47-D96 HydrophobicContact CD1-CB 4.11Å; L47-D96 HydrophobicContact CD2-CB 3.88Å; I93-D96 PolarHBondContact O-N 2.94Å; D96-G100 PolarHBondContact O-N 3.44Å
97	L	91.6	Very high	90	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.4	-46	177.3	-179.1	58.9	0	0	0	111.2	L47 K50 M51 F54 T90 I93 S95 L101	L47-L97 HydrophobicContact CD1-CB 3.66Å; L47-L97 HydrophobicContact CD1-CD1 4.14Å; L47-L97 HydrophobicContact CD1-CG 4.47Å; K50-L97 HydrophobicContact CB-CD1 4.1Å; K50-L97 HydrophobicContact CB-CD2 3.92Å; M51-L97 HydrophobicContact CB-CD1 4.02Å; M51-L97 HydrophobicContact CE-CD1 3.85Å; M51-L97 WeakPolarHBondContact CE-O 3.36Å; M51-L97 HydrophobicContact SD-CD1 4.02Å; F54-L97 HydrophobicContact CD2-CD1 4.29Å; F54-L97 HydrophobicContact CD2-CD2 3.83Å; F54-L97 HydrophobicContact CD2-CG 4.22Å; F54-L97 HydrophobicContact CE2-CD2 3.74Å; T90-L97 HydrophobicContact CG2-CD2 4.35Å; I93-L97 WeakPolarHBondContact O-CB 3.4Å; I93-L97 PolarHBondContact O-N 3.21Å; S95-L97 VanDerWaalsContact C-N 3.31Å; S95-L97 PolarHBondContact O-N 2.96Å; L97-L101 HydrophobicContact CD1-CD1 4.33Å; L97-L101 HydrophobicContact CG-CD1 4.35Å; L97-L101 VanDerWaalsContact O-CG 3.27Å; L97-L101 WeakPolarHBondContact O-CG 3.42Å; L97-L101 PolarHBondContact O-N 3.43Å; L97-L101 VanDerWaalsContact O-N 3.11Å
98	A	91.4	Very high	90.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-71.3	-41.6	-177.2	0	0	0	0	0	112.6	S87 W88 G94 S95 L101 C102	S87-A98 WeakPolarHBondContact OG-CB 3.47Å; W88-A98 HydrophobicContact CD2-CB 3.23Å; W88-A98 HydrophobicContact CE3-CB 3.33Å; W88-A98 HydrophobicContact CG-CB 3.84Å; W88-A98 HydrophobicContact CH2-CB 3.69Å; W88-A98 HydrophobicContact CZ2-CB 3.63Å; W88-A98 HydrophobicContact CZ3-CB 3.55Å; G94-A98 VanDerWaalsContact O-CB 3.24Å; G94-A98 WeakPolarHBondContact O-CB 3.36Å; G94-A98 PolarHBondContact O-N 2.92Å; S95-A98 PolarHBondContact O-N 2.82Å; A98-L101 PolarHBondContact O-N 3.45Å; A98-C102 PolarHBondContact O-N 3.37Å; A98-C102 PolarHBondContact O-SG 3.19Å
99	H	91.4	Very high	90.4	Very high	64 Å²	64	42 Å²	42	30%	0.296	24%	0.236	S	C	.	.	H	α-helix	trans	-60.8	-46.8	175.1	-72.4	93.3	0	0	0	111.2	W88 S95 L101 C102 D103	W88-H99 AromaticContact CH2-CE1 3.64Å; W88-H99 AromaticContact CH2-ND1 3.87Å; W88-H99 AromaticContact CH2-NE2 3.89Å; W88-H99 AromaticContact CZ3-CE1 3.69Å; W88-H99 AromaticContact CZ3-ND1 3.91Å; S95-H99 PolarHBondContact O-N 3.04Å; S95-H99 PolarHBondContact O-ND1 3.44Å; S95-H99 PolarHBondContact OG-CE1 3.05Å; S95-H99 PolarHBondContact OG-ND1 3.31Å; H99-L101 VanDerWaalsContact C-N 3.27Å; H99-L101 PolarHBondContact O-N 3.46Å; H99-C102 WeakPolarHBondContact O-CB 3.45Å; H99-C102 PolarHBondContact O-N 2.69Å; H99-D103 PolarHBondContact O-N 3.21Å
100	G	93.6	Very high	90.9	Very high	22 Å²	22	41.3 Å²	41.3	23%	0.227	23%	0.228	C	C	.	.	H	α-helix	trans	-63.2	-30.6	177.5	0	0	0	0	0	113.8	D96 Y104	D96-G100 PolarHBondContact O-N 3.44Å; G100-Y104 WeakPolarHBondContact O-CB 3.42Å; G100-Y104 PolarHBondContact O-N 3.04Å
101	L	96.2	Very high	91.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-74.1	-35.2	171.8	-68.4	173.3	0	0	0	112.9	M51 F54 Q55 I58 L84 L97 A98 H99 D103 Y104 I105	M51-L101 HydrophobicContact SD-CD2 3.47Å; M51-L101 WeakPolarHBondContact SD-CD2 3.45Å; M51-L101 HydrophobicContact SD-CG 3.7Å; F54-L101 HydrophobicContact CB-CD1 3.69Å; F54-L101 HydrophobicContact CB-CD2 3.86Å; F54-L101 HydrophobicContact CB-CG 4.44Å; F54-L101 HydrophobicContact CD2-CD1 3.75Å; F54-L101 HydrophobicContact CG-CD1 4.21Å; Q55-L101 HydrophobicContact CG-CD2 3.9Å; I58-L101 HydrophobicContact CD1-CB 4.24Å; I58-L101 HydrophobicContact CD1-CD2 3.78Å; I58-L101 HydrophobicContact CD1-CG 4.41Å; L84-L101 HydrophobicContact CD2-CB 4.22Å; L97-L101 HydrophobicContact CD1-CD1 4.33Å; L97-L101 HydrophobicContact CG-CD1 4.35Å; L97-L101 VanDerWaalsContact O-CG 3.27Å; L97-L101 WeakPolarHBondContact O-CG 3.42Å; L97-L101 PolarHBondContact O-N 3.43Å; L97-L101 VanDerWaalsContact O-N 3.11Å; A98-L101 PolarHBondContact O-N 3.45Å; H99-L101 VanDerWaalsContact C-N 3.27Å; H99-L101 PolarHBondContact O-N 3.46Å; L101-D103 VanDerWaalsContact C-N 3.34Å; L101-Y104 PolarHBondContact O-N 3.49Å; L101-I105 VanDerWaalsContact O-CG1 3.31Å; L101-I105 WeakPolarHBondContact O-CG1 3.5Å; L101-I105 PolarHBondContact O-N 3.47Å
102	C	95.3	Very high	92	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63.8	-42.2	173.7	-65.7	0	0	0	0	111.1	A98 H99 I105 R106 N143	A98-C102 PolarHBondContact O-N 3.37Å; A98-C102 PolarHBondContact O-SG 3.19Å; H99-C102 WeakPolarHBondContact O-CB 3.45Å; H99-C102 PolarHBondContact O-N 2.69Å; C102-I105 PolarHBondContact O-N 3.01Å; C102-R106 PolarHBondContact O-N 3.13Å; C102-N143 PolarHBondContact O-ND2 3.45Å
103	D	95.7	Very high	92.8	Very high	47 Å²	47	34.4 Å²	34.4	25%	0.251	19%	0.194	S	C	.	.	H	α-helix	trans	-63.6	-44.5	174	-69.4	-34.7	0	0	0	110.8	H99 L101 I105 R106 D107	H99-D103 PolarHBondContact O-N 3.21Å; L101-D103 VanDerWaalsContact C-N 3.34Å; D103-I105 VanDerWaalsContact C-N 3.33Å; D103-I105 PolarHBondContact O-N 3.41Å; D103-R106 PolarHBondContact O-N 3.27Å; D103-R106 VanDerWaalsContact O-N 3.09Å; D103-R106 IonicContact OD1-CZ 3.59Å; D103-R106 VanDerWaalsContact OD1-CZ 3.27Å; D103-R106 IonicContact OD1-NH1 3.49Å; D103-R106 PolarHBondContact OD1-NH1 3.1Å; D103-R106 IonicContact OD1-NH2 2.83Å; D103-R106 PolarHBondContact OD1-NH2 2.95Å; D103-D107 WeakPolarHBondContact O-CB 3.24Å; D103-D107 PolarHBondContact O-N 3.48Å
104	Y	96.7	Very high	93.5	Very high	53 Å²	53	34.1 Å²	34.1	21%	0.208	19%	0.192	C	C	.	.	H	α-helix	trans	-58.2	-41.6	175.5	-179	-106.9	0	0	0	113.4	Q55 I58 D59 G100 L101 R106 S108 F110	Q55-Y104 HydrophobicContact CB-CD1 4.4Å; Q55-Y104 HydrophobicContact CB-CE1 4.03Å; Q55-Y104 HydrophobicContact CG-CD1 3.83Å; Q55-Y104 HydrophobicContact CG-CD2 4.25Å; Q55-Y104 HydrophobicContact CG-CE1 3.93Å; Q55-Y104 HydrophobicContact CG-CE2 4.37Å; Q55-Y104 HydrophobicContact CG-CG 3.98Å; I58-Y104 HydrophobicContact CD1-CD1 4.4Å; I58-Y104 HydrophobicContact CG2-CD1 4.35Å; I58-Y104 HydrophobicContact CG2-CE1 4.16Å; D59-Y104 PolarHBondContact OD1-OH 3.36Å; D59-Y104 PolarHBondContact OD2-OH 3.24Å; G100-Y104 WeakPolarHBondContact O-CB 3.42Å; G100-Y104 PolarHBondContact O-N 3.04Å; L101-Y104 PolarHBondContact O-N 3.49Å; Y104-R106 VanDerWaalsContact C-N 3.32Å; Y104-R106 PolarHBondContact O-N 3.38Å; Y104-S108 VanDerWaalsContact CE2-OG 3.31Å; Y104-S108 WeakPolarHBondContact CE2-OG 3.25Å; Y104-S108 WeakPolarHBondContact O-CB 3.4Å; Y104-S108 PolarHBondContact O-N 3.38Å; Y104-S108 PolarHBondContact O-OG 2.69Å; Y104-F110 HydrophobicContact CE1-CE2 4.02Å
105	I	96.5	Very high	94	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-61.6	-39.6	175.7	-74.4	170.5	0	0	0	111.3	I58 L84 L101 C102 D103 F110 L111 L114 C138	I58-I105 HydrophobicContact CD1-CD1 4.18Å; I58-I105 HydrophobicContact CD1-CG1 4.15Å; I58-I105 HydrophobicContact CG2-CG1 4.24Å; L84-I105 HydrophobicContact CD1-CD1 3.91Å; L84-I105 HydrophobicContact CD2-CD1 3.81Å; L84-I105 HydrophobicContact CG-CD1 4.25Å; L101-I105 VanDerWaalsContact O-CG1 3.31Å; L101-I105 WeakPolarHBondContact O-CG1 3.5Å; L101-I105 PolarHBondContact O-N 3.47Å; C102-I105 PolarHBondContact O-N 3.01Å; D103-I105 VanDerWaalsContact C-N 3.33Å; D103-I105 PolarHBondContact O-N 3.41Å; I105-F110 HydrophobicContact CG2-CB 4.06Å; I105-F110 WeakPolarHBondContact O-CA 3.27Å; I105-F110 WeakPolarHBondContact O-CB 3.42Å; I105-F110 PolarHBondContact O-N 3.37Å; I105-L111 HydrophobicContact CG2-CB 4.21Å; I105-L111 PolarHBondContact O-N 3.44Å; I105-L111 VanDerWaalsContact O-N 3.07Å; I105-L114 HydrophobicContact CG2-CD1 4.35Å; I105-C138 HydrophobicContact CD1-CB 4.09Å
106	R	96.4	Very high	94.6	Very high	45 Å²	45	38.1 Å²	38.1	17%	0.17	21%	0.206	C	C	.	.	H	α-helix	trans	-70.4	-53.6	176.4	179.8	-169.2	61.7	-124.9	2.2	111.1	C102 D103 Y104 S108 G109 L111 N143 Y146	C102-R106 PolarHBondContact O-N 3.13Å; D103-R106 PolarHBondContact O-N 3.27Å; D103-R106 VanDerWaalsContact O-N 3.09Å; D103-R106 IonicContact OD1-CZ 3.59Å; D103-R106 VanDerWaalsContact OD1-CZ 3.27Å; D103-R106 IonicContact OD1-NH1 3.49Å; D103-R106 PolarHBondContact OD1-NH1 3.1Å; D103-R106 IonicContact OD1-NH2 2.83Å; D103-R106 PolarHBondContact OD1-NH2 2.95Å; Y104-R106 VanDerWaalsContact C-N 3.32Å; Y104-R106 PolarHBondContact O-N 3.38Å; R106-S108 PolarHBondContact O-N 3.14Å; R106-G109 PolarHBondContact O-N 3.1Å; R106-L111 HydrophobicContact CB-CD2 4.32Å; R106-L111 HydrophobicContact CG-CD2 4.3Å; R106-N143 WeakPolarHBondContact CB-OD1 3.2Å; R106-N143 WeakPolarHBondContact CD-OD1 3.38Å; R106-N143 PolarHBondContact NH1-OD1 2.73Å; R106-Y146 HydrophobicContact CG-CD2 4.09Å; R106-Y146 HydrophobicContact CG-CE2 4.4Å; R106-Y146 HydrophobicContact CG-CG 4.24Å
107	D	96.1	Very high	95.1	Very high	121 Å²	121	34.8 Å²	34.8	65%	0.647	19%	0.188	S	C	*	.	H	α-helix	trans	-67.5	-23.2	-172	-60.2	-10.4	0	0	0	112.3	D103	D103-D107 WeakPolarHBondContact O-CB 3.24Å; D103-D107 PolarHBondContact O-N 3.48Å
108	S	94.9	Very high	95.3	Very high	46 Å²	46	34.8 Å²	34.8	32%	0.322	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	0.7	173.6	-50.7	0	0	0	0	114.1	Y104 R106 F110	Y104-S108 VanDerWaalsContact CE2-OG 3.31Å; Y104-S108 WeakPolarHBondContact CE2-OG 3.25Å; Y104-S108 WeakPolarHBondContact O-CB 3.4Å; Y104-S108 PolarHBondContact O-N 3.38Å; Y104-S108 PolarHBondContact O-OG 2.69Å; R106-S108 PolarHBondContact O-N 3.14Å; S108-F110 VanDerWaalsContact C-N 3.27Å; S108-F110 PolarHBondContact O-N 3.07Å
109	G	94.7	Very high	95.6	Very high	26 Å²	26	36.1 Å²	36.1	27%	0.268	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	11.2	-178.2	0	0	0	0	0	114.9	R106 L111 T113	R106-G109 PolarHBondContact O-N 3.1Å; G109-L111 VanDerWaalsContact C-N 3.34Å; G109-T113 PolarHBondContact O-N 3.08Å; G109-T113 PolarHBondContact O-OG1 3.19Å
110	F	95.3	Very high	95.7	Very high	34 Å²	34	36.9 Å²	36.9	15%	0.149	20%	0.198	C	C	.	.	H	α-helix	trans	-75.3	-27.4	179.8	-56.1	-26	0	0	0	111.9	I58 V62 Y104 I105 S108 T113 L114	I58-F110 HydrophobicContact CG2-CD2 3.82Å; I58-F110 HydrophobicContact CG2-CE2 3.9Å; V62-F110 HydrophobicContact CB-CD1 4.42Å; V62-F110 HydrophobicContact CB-CE1 4.3Å; V62-F110 HydrophobicContact CB-CZ 4.38Å; V62-F110 HydrophobicContact CG1-CD1 3.78Å; V62-F110 HydrophobicContact CG1-CE1 3.69Å; V62-F110 HydrophobicContact CG1-CG 4.42Å; V62-F110 HydrophobicContact CG1-CZ 4.23Å; V62-F110 HydrophobicContact CG2-CB 4.26Å; V62-F110 HydrophobicContact CG2-CD1 3.91Å; V62-F110 HydrophobicContact CG2-CD2 3.69Å; V62-F110 HydrophobicContact CG2-CE1 4.13Å; V62-F110 HydrophobicContact CG2-CE2 3.91Å; V62-F110 HydrophobicContact CG2-CG 3.69Å; V62-F110 HydrophobicContact CG2-CZ 4.12Å; Y104-F110 HydrophobicContact CE1-CE2 4.02Å; I105-F110 HydrophobicContact CG2-CB 4.06Å; I105-F110 WeakPolarHBondContact O-CA 3.27Å; I105-F110 WeakPolarHBondContact O-CB 3.42Å; I105-F110 PolarHBondContact O-N 3.37Å; S108-F110 VanDerWaalsContact C-N 3.27Å; S108-F110 PolarHBondContact O-N 3.07Å; F110-T113 WeakPolarHBondContact O-CB 3.47Å; F110-T113 PolarHBondContact O-N 3.05Å; F110-L114 WeakPolarHBondContact O-CG 3.49Å; F110-L114 PolarHBondContact O-N 3.46Å
111	L	96.2	Very high	95.6	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-59.5	-45.3	173.3	-176	57.3	0	0	0	111.5	I105 R106 G109 T113 L114 L115 L135 N143 Y146	I105-L111 HydrophobicContact CG2-CB 4.21Å; I105-L111 PolarHBondContact O-N 3.44Å; I105-L111 VanDerWaalsContact O-N 3.07Å; R106-L111 HydrophobicContact CB-CD2 4.32Å; R106-L111 HydrophobicContact CG-CD2 4.3Å; G109-L111 VanDerWaalsContact C-N 3.34Å; L111-T113 VanDerWaalsContact C-N 3.31Å; L111-T113 PolarHBondContact O-N 3.46Å; L111-L114 PolarHBondContact O-N 3.3Å; L111-L115 HydrophobicContact CG-CD1 4.23Å; L111-L115 WeakPolarHBondContact O-CG 3.27Å; L111-L115 PolarHBondContact O-N 3.45Å; L111-L135 HydrophobicContact CD1-CD2 3.75Å; L111-N143 HydrophobicContact CD2-CB 4.1Å; L111-Y146 HydrophobicContact CD2-CD1 3.7Å; L111-Y146 HydrophobicContact CD2-CE1 4.26Å; L111-Y146 HydrophobicContact CD2-CG 4.35Å
112	D	95.6	Very high	95.4	Very high	55 Å²	55	51.9 Å²	51.9	29%	0.294	26%	0.263	S	S	.	.	H	α-helix	trans	-62.8	-39.2	177	-60.5	-63.4	0	0	0	112	L114 L115 Q116 Y146	D112-L114 VanDerWaalsContact C-N 3.34Å; D112-L114 PolarHBondContact O-N 3.43Å; D112-L115 PolarHBondContact O-N 3.31Å; D112-Q116 WeakPolarHBondContact O-CB 3.5Å; D112-Q116 PolarHBondContact O-N 3.22Å; D112-Y146 PolarHBondContact OD1-OH 3.29Å; D112-Y146 PolarHBondContact OD2-OH 2.87Å
113	T	95.2	Very high	95.3	Very high	52 Å²	52	52.9 Å²	52.9	32%	0.319	27%	0.27	S	S	.	.	H	α-helix	trans	-61	-44.2	175.2	-57.1	0	0	0	0	111.1	G109 F110 L111 Q116 L117	G109-T113 PolarHBondContact O-N 3.08Å; G109-T113 PolarHBondContact O-OG1 3.19Å; F110-T113 WeakPolarHBondContact O-CB 3.47Å; F110-T113 PolarHBondContact O-N 3.05Å; L111-T113 VanDerWaalsContact C-N 3.31Å; L111-T113 PolarHBondContact O-N 3.46Å; T113-Q116 PolarHBondContact O-N 3.01Å; T113-L117 HydrophobicContact CG2-CD1 4.5Å; T113-L117 WeakPolarHBondContact O-CG 3.45Å; T113-L117 PolarHBondContact O-N 3.14Å
114	L	96	Very high	95.3	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-66.8	-41.8	177.8	-70.2	167.5	0	0	0	112	L65 L80 I105 F110 L111 D112 L117 F118 V134 L135	L65-L114 HydrophobicContact CD1-CD2 4.22Å; L80-L114 HydrophobicContact CD1-CD2 4.17Å; I105-L114 HydrophobicContact CG2-CD1 4.35Å; F110-L114 WeakPolarHBondContact O-CG 3.49Å; F110-L114 PolarHBondContact O-N 3.46Å; L111-L114 PolarHBondContact O-N 3.3Å; D112-L114 VanDerWaalsContact C-N 3.34Å; D112-L114 PolarHBondContact O-N 3.43Å; L114-L117 PolarHBondContact O-N 3.25Å; L114-F118 WeakPolarHBondContact O-CB 3.02Å; L114-F118 PolarHBondContact O-N 2.92Å; L114-V134 HydrophobicContact CD1-CB 4.37Å; L114-V134 HydrophobicContact CD1-CG1 3.58Å; L114-V134 HydrophobicContact CD2-CB 4.12Å; L114-V134 HydrophobicContact CD2-CG1 4Å; L114-V134 HydrophobicContact CG-CG1 4.46Å; L114-L135 HydrophobicContact CB-CD2 3.88Å; L114-L135 HydrophobicContact CB-CG 4.31Å
115	L	96.4	Very high	95.2	Very high	2 Å²	2	55 Å²	55	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-61.2	-46.3	174.5	-73.8	171.2	0	0	0	110.7	L111 D112 L117 F118 L119 L135 L147 V156	L111-L115 HydrophobicContact CG-CD1 4.23Å; L111-L115 WeakPolarHBondContact O-CG 3.27Å; L111-L115 PolarHBondContact O-N 3.45Å; D112-L115 PolarHBondContact O-N 3.31Å; L115-L117 PolarHBondContact O-N 3.14Å; L115-F118 PolarHBondContact O-N 3.06Å; L115-F118 VanDerWaalsContact O-N 3.15Å; L115-L119 HydrophobicContact CB-CD1 4.36Å; L115-L119 VanDerWaalsContact O-CB 3.26Å; L115-L119 WeakPolarHBondContact O-CB 3.46Å; L115-L119 WeakPolarHBondContact O-CG 3.34Å; L115-L119 PolarHBondContact O-N 2.95Å; L115-L135 HydrophobicContact CD2-CD1 4.18Å; L115-L135 HydrophobicContact CD2-CD2 4.07Å; L115-L135 HydrophobicContact CG-CD2 4.25Å; L115-L147 HydrophobicContact CD2-CD1 4.15Å; L115-V156 HydrophobicContact CD2-CG2 4.24Å
116	Q	95.3	Very high	95.1	Very high	129 Å²	129	61.1 Å²	61.1	60%	0.603	32%	0.315	S	S	*	.	H	α-helix	trans	-58.8	-46.7	176.3	-171.9	-178.3	8.2	0	0	111.3	D112 T113 F118 L119 H120	D112-Q116 WeakPolarHBondContact O-CB 3.5Å; D112-Q116 PolarHBondContact O-N 3.22Å; T113-Q116 PolarHBondContact O-N 3.01Å; Q116-F118 VanDerWaalsContact C-N 3.3Å; Q116-F118 PolarHBondContact O-N 3.36Å; Q116-L119 PolarHBondContact O-N 3.17Å; Q116-H120 WeakPolarHBondContact O-CB 3.24Å; Q116-H120 PolarHBondContact O-N 3.47Å
117	L	95.8	Very high	95.1	Very high	30 Å²	30	59.2 Å²	59.2	16%	0.157	31%	0.309	C	S	.	.	H	α-helix	trans	-59.7	-39.8	176.7	-72.9	172.3	0	0	0	112.3	L65 I73 T113 L114 L115 S123 V127	L65-L117 HydrophobicContact CD1-CD1 4.29Å; L65-L117 HydrophobicContact CD2-CD1 4.35Å; I73-L117 HydrophobicContact CD1-CD2 4.05Å; I73-L117 HydrophobicContact CG2-CD1 4.1Å; I73-L117 HydrophobicContact CG2-CD2 4.35Å; T113-L117 HydrophobicContact CG2-CD1 4.5Å; T113-L117 WeakPolarHBondContact O-CG 3.45Å; T113-L117 PolarHBondContact O-N 3.14Å; L114-L117 PolarHBondContact O-N 3.25Å; L115-L117 PolarHBondContact O-N 3.14Å; L117-S123 WeakPolarHBondContact O-CB 3.37Å; L117-S123 PolarHBondContact O-OG 3.4Å; L117-V127 HydrophobicContact CB-CG1 4.24Å; L117-V127 HydrophobicContact CD2-CG1 4.24Å
118	F	96.9	Very high	95.2	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-72.4	-44.7	179.6	-174.1	-105.9	0	0	0	113	L114 L115 Q116 K128 S131 L135 V156 V159 M163 L175	L114-F118 WeakPolarHBondContact O-CB 3.02Å; L114-F118 PolarHBondContact O-N 2.92Å; L115-F118 PolarHBondContact O-N 3.06Å; L115-F118 VanDerWaalsContact O-N 3.15Å; Q116-F118 VanDerWaalsContact C-N 3.3Å; Q116-F118 PolarHBondContact O-N 3.36Å; F118-K128 HydrophobicContact CD2-CB 4.37Å; F118-K128 VanDerWaalsContact CD2-O 3.26Å; F118-K128 WeakPolarHBondContact CD2-O 3.31Å; F118-K128 WeakPolarHBondContact CE2-O 3.41Å; F118-S131 WeakPolarHBondContact CA-OG 3.48Å; F118-S131 WeakPolarHBondContact CB-OG 3.39Å; F118-S131 PolarHBondContact N-OG 2.8Å; F118-L135 HydrophobicContact CB-CD1 3.81Å; F118-L135 HydrophobicContact CD1-CD1 4.19Å; F118-L135 HydrophobicContact CD2-CD1 4.4Å; F118-L135 HydrophobicContact CG-CD1 3.87Å; F118-V156 HydrophobicContact CE1-CG1 4.16Å; F118-V159 HydrophobicContact CD1-CG1 4.36Å; F118-V159 HydrophobicContact CE1-CB 3.95Å; F118-V159 HydrophobicContact CE1-CG1 3.77Å; F118-V159 HydrophobicContact CE2-CG1 4.31Å; F118-V159 HydrophobicContact CZ-CB 4.32Å; F118-V159 HydrophobicContact CZ-CG1 3.74Å; F118-M163 HydrophobicContact CE2-SD 4.12Å; F118-M163 HydrophobicContact CZ-SD 4.13Å; F118-L175 HydrophobicContact CE1-CD1 3.96Å; F118-L175 HydrophobicContact CE2-CD1 3.7Å; F118-L175 HydrophobicContact CZ-CD1 3.34Å
119	L	96.7	Very high	95.3	Very high	28 Å²	28	53.8 Å²	53.8	15%	0.147	28%	0.275	C	S	.	.	H	α-helix	trans	-82.8	-26.3	-171.8	-64.3	176.9	0	0	0	113.3	L115 Q116 E155 V156 V159	L115-L119 HydrophobicContact CB-CD1 4.36Å; L115-L119 VanDerWaalsContact O-CB 3.26Å; L115-L119 WeakPolarHBondContact O-CB 3.46Å; L115-L119 WeakPolarHBondContact O-CG 3.34Å; L115-L119 PolarHBondContact O-N 2.95Å; Q116-L119 PolarHBondContact O-N 3.17Å; L119-E155 HydrophobicContact CD1-CB 4Å; L119-E155 HydrophobicContact CD2-CB 3.77Å; L119-E155 HydrophobicContact CG-CB 4.46Å; L119-V156 HydrophobicContact CD2-CB 4.43Å; L119-V156 HydrophobicContact CD2-CG2 3.84Å; L119-V159 HydrophobicContact CD2-CG2 4.01Å
120	H	94.6	Very high	95.4	Very high	81 Å²	81	53.4 Å²	53.4	38%	0.375	27%	0.27	S	S	.	.			trans	-62.2	128.3	-171.5	-168.7	-91.3	0	0	0	112	Q116 R122 S123	Q116-H120 WeakPolarHBondContact O-CB 3.24Å; Q116-H120 PolarHBondContact O-N 3.47Å; H120-R122 PolarHBondContact ND1-N 3.07Å; H120-R122 PolarHBondContact O-N 3.09Å; H120-R122 VanDerWaalsContact O-N 3.12Å; H120-S123 WeakPolarHBondContact O-CB 3.41Å; H120-S123 PolarHBondContact O-N 2.96Å; H120-S123 PolarHBondContact O-OG 3.34Å
121	P	91.8	Very high	95.4	Very high	113 Å²	113	51.8 Å²	51.8	73%	0.734	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-30.8	-175	-28.6	35.2	0	0	0	114.6
122	R	91.6	Very high	95.5	Very high	224 Å²	224	51.7 Å²	51.7	85%	0.845	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-4.2	-179.8	-55	-176	179.3	165.5	-0.9	114.3	H120 T124	H120-R122 PolarHBondContact ND1-N 3.07Å; H120-R122 PolarHBondContact O-N 3.09Å; H120-R122 VanDerWaalsContact O-N 3.12Å; R122-T124 PolarHBondContact O-N 2.92Å
123	S	93.3	Very high	95.4	Very high	21 Å²	21	51.6 Å²	51.6	15%	0.147	26%	0.261	C	S	.	.			trans	-65	132.2	176	-67.7	0	0	0	0	110	L117 H120 K128	L117-S123 WeakPolarHBondContact O-CB 3.37Å; L117-S123 PolarHBondContact O-OG 3.4Å; H120-S123 WeakPolarHBondContact O-CB 3.41Å; H120-S123 PolarHBondContact O-N 2.96Å; H120-S123 PolarHBondContact O-OG 3.34Å; S123-K128 WeakPolarHBondContact O-CE 3.22Å
124	T	95.1	Very high	95.5	Very high	60 Å²	60	49.1 Å²	49.1	37%	0.368	25%	0.246	S	C	.	.			trans	-65.8	158.2	176.9	66.6	0	0	0	0	110.6	V70 R122 Q126 V127 K128	V70-T124 HydrophobicContact CG2-CG2 4.09Å; R122-T124 PolarHBondContact O-N 2.92Å; T124-Q126 PolarHBondContact O-N 3.28Å; T124-V127 PolarHBondContact O-N 3.43Å; T124-V127 WeakPolarHBondContact OG1-CG2 3.31Å; T124-V127 PolarHBondContact OG1-N 3.38Å; T124-K128 PolarHBondContact O-N 3.4Å
125	D	94.8	Very high	95.6	Very high	85 Å²	85	49.2 Å²	49.2	46%	0.455	25%	0.247	S	C	.	.	H	α-helix	trans	-54.9	-37.2	175.5	-78.9	-7.3	0	0	0	112.3	K128 V129 K168	D125-K128 PolarHBondContact O-N 2.96Å; D125-V129 WeakPolarHBondContact O-CB 3.28Å; D125-V129 VanDerWaalsContact O-CG2 3.27Å; D125-V129 WeakPolarHBondContact O-CG2 3.39Å; D125-V129 PolarHBondContact O-N 3.24Å; D125-K168 HydrophobicContact CB-CD 3.97Å; D125-K168 IonicContact OD1-NZ 3.56Å; D125-K168 WeakPolarHBondContact OD2-CD 3.35Å; D125-K168 WeakPolarHBondContact OD2-CE 3.33Å; D125-K168 IonicContact OD2-NZ 2.79Å; D125-K168 PolarHBondContact OD2-NZ 3.49Å
126	Q	95.4	Very high	95.4	Very high	129 Å²	129	49.5 Å²	49.5	60%	0.603	25%	0.248	S	C	*	.	H	α-helix	trans	-63.1	-44	176.1	-68.6	178.9	-10.4	0	0	112.1	V70 T124 A130	V70-Q126 HydrophobicContact CG1-CB 4.42Å; T124-Q126 PolarHBondContact O-N 3.28Å; Q126-A130 VanDerWaalsContact O-CB 3.25Å; Q126-A130 WeakPolarHBondContact O-CB 3.47Å; Q126-A130 PolarHBondContact O-N 3.1Å
127	V	96.5	Very high	95.3	Very high	5 Å²	5	44.6 Å²	44.6	3%	0.03	23%	0.225	C	C	.	.	H	α-helix	trans	-65.6	-45.9	177.2	169.9	0	0	0	0	110.5	V70 I73 L117 T124 V129 A130 S131	V70-V127 HydrophobicContact CG1-CG2 4.13Å; V70-V127 HydrophobicContact CG2-CG2 4.34Å; I73-V127 HydrophobicContact CB-CG2 4.43Å; I73-V127 HydrophobicContact CD1-CG2 4.48Å; I73-V127 HydrophobicContact CG2-CB 4.47Å; I73-V127 HydrophobicContact CG2-CG1 3.89Å; I73-V127 HydrophobicContact CG2-CG2 4.02Å; L117-V127 HydrophobicContact CB-CG1 4.24Å; L117-V127 HydrophobicContact CD2-CG1 4.24Å; T124-V127 PolarHBondContact O-N 3.43Å; T124-V127 WeakPolarHBondContact OG1-CG2 3.31Å; T124-V127 PolarHBondContact OG1-N 3.38Å; V127-V129 PolarHBondContact O-N 3Å; V127-A130 PolarHBondContact O-N 3.38Å; V127-S131 PolarHBondContact O-N 3.29Å; V127-S131 PolarHBondContact O-OG 2.93Å
128	K	96.6	Very high	95.2	Very high	33 Å²	33	43.1 Å²	43.1	14%	0.143	22%	0.218	C	C	.	.	H	α-helix	trans	-62	-41.5	178.6	-68.2	-175.8	177	177	0	112.4	F118 S123 T124 D125 S131 G132 V159 M163	F118-K128 HydrophobicContact CD2-CB 4.37Å; F118-K128 VanDerWaalsContact CD2-O 3.26Å; F118-K128 WeakPolarHBondContact CD2-O 3.31Å; F118-K128 WeakPolarHBondContact CE2-O 3.41Å; S123-K128 WeakPolarHBondContact O-CE 3.22Å; T124-K128 PolarHBondContact O-N 3.4Å; D125-K128 PolarHBondContact O-N 2.96Å; K128-S131 PolarHBondContact O-OG 3.21Å; K128-G132 WeakPolarHBondContact O-CA 3.19Å; K128-G132 PolarHBondContact O-N 3.05Å; K128-V159 HydrophobicContact CD-CG1 4.17Å; K128-M163 HydrophobicContact CB-CE 4.35Å
129	V	96.8	Very high	95.1	Very high	20 Å²	20	43.7 Å²	43.7	12%	0.121	22%	0.221	C	C	.	.	H	α-helix	trans	-64	-46	174.4	168.8	0	0	0	0	110.5	D125 V127 L133 M163 D167 K168	D125-V129 WeakPolarHBondContact O-CB 3.28Å; D125-V129 VanDerWaalsContact O-CG2 3.27Å; D125-V129 WeakPolarHBondContact O-CG2 3.39Å; D125-V129 PolarHBondContact O-N 3.24Å; V127-V129 PolarHBondContact O-N 3Å; V129-L133 HydrophobicContact CG1-CD1 4.13Å; V129-L133 VanDerWaalsContact O-CG 3.24Å; V129-L133 WeakPolarHBondContact O-CG 3.04Å; V129-L133 PolarHBondContact O-N 3.25Å; V129-M163 HydrophobicContact CG2-CE 3.8Å; V129-D167 HydrophobicContact CG1-CB 4.38Å; V129-K168 HydrophobicContact CG2-CB 4.38Å; V129-K168 HydrophobicContact CG2-CG 3.75Å
130	A	96.8	Very high	94.8	Very high	18 Å²	18	42.6 Å²	42.6	15%	0.149	22%	0.215	C	C	.	.	H	α-helix	trans	-65.7	-48.8	-177.8	0	0	0	0	0	112.5	C77 Q126 V127 L133 V134	C77-A130 HydrophobicContact CB-CB 3.73Å; Q126-A130 VanDerWaalsContact O-CB 3.25Å; Q126-A130 WeakPolarHBondContact O-CB 3.47Å; Q126-A130 PolarHBondContact O-N 3.1Å; V127-A130 PolarHBondContact O-N 3.38Å; A130-L133 PolarHBondContact O-N 2.79Å; A130-V134 PolarHBondContact O-N 2.91Å
131	S	96.9	Very high	94.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-67.6	-39.7	177.3	62.9	0	0	0	0	111.9	F118 V127 K128 L133 V134 L135	F118-S131 WeakPolarHBondContact CA-OG 3.48Å; F118-S131 WeakPolarHBondContact CB-OG 3.39Å; F118-S131 PolarHBondContact N-OG 2.8Å; V127-S131 PolarHBondContact O-N 3.29Å; V127-S131 PolarHBondContact O-OG 2.93Å; K128-S131 PolarHBondContact O-OG 3.21Å; S131-L133 VanDerWaalsContact C-N 3.32Å; S131-L133 PolarHBondContact O-N 2.99Å; S131-V134 WeakPolarHBondContact O-CB 3.3Å; S131-V134 PolarHBondContact O-N 3.1Å; S131-V134 VanDerWaalsContact O-N 3.1Å; S131-L135 WeakPolarHBondContact O-CG 3.33Å; S131-L135 PolarHBondContact O-N 3.01Å
132	G	96.7	Very high	94.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59.6	-39.4	175.9	0	0	0	0	0	113	K128 V134 L135 V136	K128-G132 WeakPolarHBondContact O-CA 3.19Å; K128-G132 PolarHBondContact O-N 3.05Å; G132-V134 VanDerWaalsContact C-N 3.33Å; G132-V134 PolarHBondContact O-N 3.28Å; G132-L135 WeakPolarHBondContact O-CB 3.39Å; G132-L135 PolarHBondContact O-N 3.18Å; G132-V136 WeakPolarHBondContact O-CG2 3.26Å; G132-V136 PolarHBondContact O-N 3.26Å
133	L	95	Very high	94.8	Very high	53 Å²	53	28 Å²	28	28%	0.277	16%	0.16	S	C	.	.	H	α-helix	trans	-66.5	-33.4	175.1	-72.1	171.5	0	0	0	112.8	V129 A130 S131 T171	V129-L133 HydrophobicContact CG1-CD1 4.13Å; V129-L133 VanDerWaalsContact O-CG 3.24Å; V129-L133 WeakPolarHBondContact O-CG 3.04Å; V129-L133 PolarHBondContact O-N 3.25Å; A130-L133 PolarHBondContact O-N 2.79Å; S131-L133 VanDerWaalsContact C-N 3.32Å; S131-L133 PolarHBondContact O-N 2.99Å; L133-T171 HydrophobicContact CG-CG2 4.4Å
134	V	96.9	Very high	94.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-68.6	-44.7	173.2	-178.2	0	0	0	0	110.4	C77 L80 A81 L84 L114 A130 S131 G132 V136 E137 C138	C77-V134 HydrophobicContact CB-CG2 3.78Å; C77-V134 WeakPolarHBondContact O-CG2 3.24Å; L80-V134 HydrophobicContact CB-CG1 3.8Å; L80-V134 HydrophobicContact CB-CG2 3.9Å; L80-V134 HydrophobicContact CD1-CG1 4.1Å; A81-V134 HydrophobicContact CB-CG2 4.19Å; L84-V134 HydrophobicContact CD1-CG1 4.09Å; L114-V134 HydrophobicContact CD1-CB 4.37Å; L114-V134 HydrophobicContact CD1-CG1 3.58Å; L114-V134 HydrophobicContact CD2-CB 4.12Å; L114-V134 HydrophobicContact CD2-CG1 4Å; L114-V134 HydrophobicContact CG-CG1 4.46Å; A130-V134 PolarHBondContact O-N 2.91Å; S131-V134 WeakPolarHBondContact O-CB 3.3Å; S131-V134 PolarHBondContact O-N 3.1Å; S131-V134 VanDerWaalsContact O-N 3.1Å; G132-V134 VanDerWaalsContact C-N 3.33Å; G132-V134 PolarHBondContact O-N 3.28Å; V134-V136 VanDerWaalsContact C-N 3.27Å; V134-V136 PolarHBondContact O-N 3.35Å; V134-E137 PolarHBondContact O-N 3.37Å; V134-C138 PolarHBondContact O-N 3.45Å; V134-C138 VanDerWaalsContact O-N 3.08Å; V134-C138 PolarHBondContact O-SG 3.5Å
135	L	96.9	Very high	94.9	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.016	16%	0.156	C	C	.	.	H	α-helix	trans	-54.6	-44.2	176.8	-72.6	172.5	0	0	0	111.2	L111 L114 L115 F118 S131 G132 E137 C138 L139 L175	L111-L135 HydrophobicContact CD1-CD2 3.75Å; L114-L135 HydrophobicContact CB-CD2 3.88Å; L114-L135 HydrophobicContact CB-CG 4.31Å; L115-L135 HydrophobicContact CD2-CD1 4.18Å; L115-L135 HydrophobicContact CD2-CD2 4.07Å; L115-L135 HydrophobicContact CG-CD2 4.25Å; F118-L135 HydrophobicContact CB-CD1 3.81Å; F118-L135 HydrophobicContact CD1-CD1 4.19Å; F118-L135 HydrophobicContact CD2-CD1 4.4Å; F118-L135 HydrophobicContact CG-CD1 3.87Å; S131-L135 WeakPolarHBondContact O-CG 3.33Å; S131-L135 PolarHBondContact O-N 3.01Å; G132-L135 WeakPolarHBondContact O-CB 3.39Å; G132-L135 PolarHBondContact O-N 3.18Å; L135-E137 VanDerWaalsContact C-N 3.28Å; L135-E137 PolarHBondContact O-N 3.08Å; L135-C138 PolarHBondContact O-N 2.73Å; L135-L139 WeakPolarHBondContact O-CB 3.37Å; L135-L139 WeakPolarHBondContact O-CG 3.43Å; L135-L139 PolarHBondContact O-N 3.36Å; L135-L175 HydrophobicContact CB-CD2 3.75Å
136	V	93.7	Very high	95	Very high	8 Å²	8	27.5 Å²	27.5	5%	0.048	15%	0.145	C	C	.	.	H	α-helix	trans	-54.2	-43.2	176.2	171.3	0	0	0	0	112.4	G132 V134 S174 L175 S178	G132-V136 WeakPolarHBondContact O-CG2 3.26Å; G132-V136 PolarHBondContact O-N 3.26Å; V134-V136 VanDerWaalsContact C-N 3.27Å; V134-V136 PolarHBondContact O-N 3.35Å; V136-S174 WeakPolarHBondContact CG2-OG 3.21Å; V136-L175 HydrophobicContact CG2-CB 4.49Å; V136-L175 HydrophobicContact CG2-CD2 3.71Å; V136-L175 HydrophobicContact CG2-CG 3.76Å; V136-S178 PolarHBondContact O-OG 3.37Å
137	E	92.5	Very high	94.9	Very high	25 Å²	25	21.5 Å²	21.5	12%	0.117	12%	0.117	C	C	.	.	H	α-helix	trans	-80.5	-19	-176.7	-60.6	-66.2	161.7	0	0	113.5	L84 W88 V134 L135 Y301	L84-E137 HydrophobicContact CB-CB 3.84Å; L84-E137 HydrophobicContact CD1-CB 3.97Å; W88-E137 PolarHBondContact NE1-O 3.12Å; W88-E137 VanDerWaalsContact NE1-O 3.14Å; V134-E137 PolarHBondContact O-N 3.37Å; L135-E137 VanDerWaalsContact C-N 3.28Å; L135-E137 PolarHBondContact O-N 3.08Å; E137-Y301 PolarHBondContact OE1-OH 2.72Å; E137-Y301 PolarHBondContact OE2-OH 2.86Å
138	C	94.1	Very high	94.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-107.9	-0.5	-179.3	76.4	0	0	0	0	115.2	L84 I105 V134 L135 S140 N143	L84-C138 HydrophobicContact CD1-CB 3.83Å; I105-C138 HydrophobicContact CD1-CB 4.09Å; V134-C138 PolarHBondContact O-N 3.45Å; V134-C138 VanDerWaalsContact O-N 3.08Å; V134-C138 PolarHBondContact O-SG 3.5Å; L135-C138 PolarHBondContact O-N 2.73Å; C138-S140 VanDerWaalsContact C-N 3.25Å; C138-S140 PolarHBondContact O-N 3.18Å; C138-N143 WeakPolarHBondContact O-CB 3.46Å; C138-N143 PolarHBondContact O-ND2 3.13Å
139	L	93.6	Very high	94.6	Very high	11 Å²	11	27.3 Å²	27.3	6%	0.058	15%	0.147	C	C	.	.			trans	-75.5	74.8	173.6	-77.6	168.9	0	0	0	110.8	L135 R144 L147 L175 L179	L135-L139 WeakPolarHBondContact O-CB 3.37Å; L135-L139 WeakPolarHBondContact O-CG 3.43Å; L135-L139 PolarHBondContact O-N 3.36Å; L139-R144 HydrophobicContact CB-CG 4.17Å; L139-R144 HydrophobicContact CD2-CG 4.12Å; L139-R144 PolarHBondContact O-NH1 2.73Å; L139-L147 HydrophobicContact CD2-CD1 3.84Å; L139-L175 HydrophobicContact CD1-CD2 4.1Å; L139-L179 HydrophobicContact CD1-CD2 4.5Å
140	S	91.4	Very high	94.5	Very high	5 Å²	5	29.7 Å²	29.7	4%	0.035	16%	0.159	C	C	.	.			trans	-67.1	175.4	164.4	68.3	0	0	0	0	111.5	C138 S142 N143 R144	C138-S140 VanDerWaalsContact C-N 3.25Å; C138-S140 PolarHBondContact O-N 3.18Å; S140-S142 PolarHBondContact O-N 3Å; S140-N143 PolarHBondContact O-N 3.27Å; S140-N143 PolarHBondContact OG-N 3.12Å; S140-R144 WeakPolarHBondContact O-CG 3.11Å; S140-R144 PolarHBondContact O-N 3.03Å
141	S	90.1	Very high	94.3	Very high	66 Å²	66	35.1 Å²	35.1	46%	0.462	19%	0.186	S	C	.	.	H	α-helix	trans	-55.3	-50.9	174.9	42.9	0	0	0	0	111.5	N143 R144 E145	S141-N143 VanDerWaalsContact C-N 3.33Å; S141-N143 PolarHBondContact O-N 2.76Å; S141-R144 VanDerWaalsContact CA-NH2 3.32Å; S141-R144 VanDerWaalsContact N-NH2 3.16Å; S141-R144 PolarHBondContact O-N 3.37Å; S141-E145 PolarHBondContact O-N 2.74Å
142	S	92.7	Very high	94.3	Very high	46 Å²	46	37 Å²	37	32%	0.322	20%	0.195	S	C	.	.	H	α-helix	trans	-65.8	-32.8	179.1	-52.8	0	0	0	0	113	S140 E145 Y146	S140-S142 PolarHBondContact O-N 3Å; S142-E145 PolarHBondContact O-N 3.13Å; S142-Y146 WeakPolarHBondContact O-CB 3.33Å; S142-Y146 PolarHBondContact O-N 2.94Å
143	N	95.7	Very high	94.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-76.5	-28	176.8	-70.2	-0.6	0	0	0	112.7	C102 R106 L111 C138 S140 S141 L147	C102-N143 PolarHBondContact O-ND2 3.45Å; R106-N143 WeakPolarHBondContact CB-OD1 3.2Å; R106-N143 WeakPolarHBondContact CD-OD1 3.38Å; R106-N143 PolarHBondContact NH1-OD1 2.73Å; L111-N143 HydrophobicContact CD2-CB 4.1Å; C138-N143 WeakPolarHBondContact O-CB 3.46Å; C138-N143 PolarHBondContact O-ND2 3.13Å; S140-N143 PolarHBondContact O-N 3.27Å; S140-N143 PolarHBondContact OG-N 3.12Å; S141-N143 VanDerWaalsContact C-N 3.33Å; S141-N143 PolarHBondContact O-N 2.76Å; N143-L147 WeakPolarHBondContact O-CB 3.42Å; N143-L147 PolarHBondContact O-N 3.04Å; N143-L147 VanDerWaalsContact O-N 3.07Å
144	R	95.2	Very high	94.2	Very high	17 Å²	17	39.5 Å²	39.5	6%	0.064	21%	0.205	C	C	.	.	H	α-helix	trans	-67.9	-45.4	168.6	-74.4	-174.8	-70.4	-89.7	-13.8	111.4	L139 S140 S141 Y146 L147 V148 S178 K181 Y182	L139-R144 HydrophobicContact CB-CG 4.17Å; L139-R144 HydrophobicContact CD2-CG 4.12Å; L139-R144 PolarHBondContact O-NH1 2.73Å; S140-R144 WeakPolarHBondContact O-CG 3.11Å; S140-R144 PolarHBondContact O-N 3.03Å; S141-R144 VanDerWaalsContact CA-NH2 3.32Å; S141-R144 VanDerWaalsContact N-NH2 3.16Å; S141-R144 PolarHBondContact O-N 3.37Å; R144-Y146 VanDerWaalsContact C-N 3.31Å; R144-Y146 PolarHBondContact O-N 3.34Å; R144-L147 PolarHBondContact O-N 3.32Å; R144-V148 WeakPolarHBondContact O-CG2 3.2Å; R144-V148 PolarHBondContact O-N 2.8Å; R144-S178 WeakPolarHBondContact CD-O 3.33Å; R144-K181 PolarHBondContact NE-O 3.44Å; R144-Y182 HydrophobicContact CB-CD2 4.01Å; R144-Y182 HydrophobicContact CB-CG 4.17Å
145	E	94.9	Very high	94.2	Very high	79 Å²	79	44 Å²	44	37%	0.369	23%	0.226	S	C	.	.	H	α-helix	trans	-56	-48.2	173.9	178.7	171.9	-165.7	0	0	111	S141 S142 L147 V148 Q149 Y182	S141-E145 PolarHBondContact O-N 2.74Å; S142-E145 PolarHBondContact O-N 3.13Å; E145-L147 PolarHBondContact O-N 3.31Å; E145-V148 PolarHBondContact O-N 3.46Å; E145-Q149 HydrophobicContact CG-CG 4.25Å; E145-Q149 VanDerWaalsContact CG-NE2 3.26Å; E145-Q149 WeakPolarHBondContact O-CB 3.44Å; E145-Q149 WeakPolarHBondContact O-CG 3.27Å; E145-Q149 PolarHBondContact O-N 2.92Å; E145-Q149 PolarHBondContact OE1-NE2 3.15Å; E145-Y182 HydrophobicContact CB-CE2 3.73Å; E145-Y182 HydrophobicContact CG-CE2 4.41Å
146	Y	95.9	Very high	94.2	Very high	60 Å²	60	44 Å²	44	24%	0.235	23%	0.226	C	C	.	.	H	α-helix	trans	-56.7	-46.9	176.1	-175.4	-88.2	0	0	0	112.5	R106 L111 D112 S142 R144 V148 Q149 N150	R106-Y146 HydrophobicContact CG-CD2 4.09Å; R106-Y146 HydrophobicContact CG-CE2 4.4Å; R106-Y146 HydrophobicContact CG-CG 4.24Å; L111-Y146 HydrophobicContact CD2-CD1 3.7Å; L111-Y146 HydrophobicContact CD2-CE1 4.26Å; L111-Y146 HydrophobicContact CD2-CG 4.35Å; D112-Y146 PolarHBondContact OD1-OH 3.29Å; D112-Y146 PolarHBondContact OD2-OH 2.87Å; S142-Y146 WeakPolarHBondContact O-CB 3.33Å; S142-Y146 PolarHBondContact O-N 2.94Å; R144-Y146 VanDerWaalsContact C-N 3.31Å; R144-Y146 PolarHBondContact O-N 3.34Å; Y146-V148 VanDerWaalsContact C-N 3.31Å; Y146-V148 PolarHBondContact O-N 3.25Å; Y146-Q149 PolarHBondContact O-N 3.18Å; Y146-N150 WeakPolarHBondContact CD1-ND2 3.37Å; Y146-N150 WeakPolarHBondContact CD2-ND2 3.47Å; Y146-N150 VanDerWaalsContact CE1-ND2 3.33Å; Y146-N150 WeakPolarHBondContact CE1-ND2 3.48Å; Y146-N150 VanDerWaalsContact CE2-ND2 3.31Å; Y146-N150 WeakPolarHBondContact CE2-ND2 3.48Å; Y146-N150 WeakPolarHBondContact O-CB 3.26Å; Y146-N150 PolarHBondContact O-N 3.01Å; Y146-N150 PolarHBondContact O-ND2 3.37Å
147	L	94.7	Very high	94.3	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.016	22%	0.224	C	C	.	.	H	α-helix	trans	-60.1	-41.3	178.6	-174.4	159	0	0	0	111.8	L115 L139 N143 R144 E145 H152 L153 V156 L179	L115-L147 HydrophobicContact CD2-CD1 4.15Å; L139-L147 HydrophobicContact CD2-CD1 3.84Å; N143-L147 WeakPolarHBondContact O-CB 3.42Å; N143-L147 PolarHBondContact O-N 3.04Å; N143-L147 VanDerWaalsContact O-N 3.07Å; R144-L147 PolarHBondContact O-N 3.32Å; E145-L147 PolarHBondContact O-N 3.31Å; L147-H152 HydrophobicContact CD2-CB 4.18Å; L147-H152 HydrophobicContact CG-CB 4.01Å; L147-H152 PolarHBondContact O-N 2.7Å; L147-H152 VanDerWaalsContact O-N 3.1Å; L147-L153 HydrophobicContact CD2-CB 4.11Å; L147-L153 HydrophobicContact CD2-CD1 4.12Å; L147-V156 HydrophobicContact CD1-CG2 4.36Å; L147-L179 HydrophobicContact CD1-CD2 4.19Å; L147-L179 HydrophobicContact CD2-CD2 4.23Å
148	V	93.5	Very high	94.5	Very high	39 Å²	39	46.5 Å²	46.5	24%	0.236	24%	0.24	C	C	.	.	H	α-helix	trans	-71.3	-45.6	179.1	174.3	0	0	0	0	111.3	R144 E145 Y146 N150 N151 L153 Y182	R144-V148 WeakPolarHBondContact O-CG2 3.2Å; R144-V148 PolarHBondContact O-N 2.8Å; E145-V148 PolarHBondContact O-N 3.46Å; Y146-V148 VanDerWaalsContact C-N 3.31Å; Y146-V148 PolarHBondContact O-N 3.25Å; V148-N150 VanDerWaalsContact C-N 3.27Å; V148-N150 PolarHBondContact O-N 2.98Å; V148-N151 PolarHBondContact O-N 2.82Å; V148-N151 VanDerWaalsContact O-N 3.14Å; V148-L153 HydrophobicContact CG2-CD1 4.34Å; V148-L153 HydrophobicContact CG2-CD2 4.45Å; V148-Y182 HydrophobicContact CB-CE1 4.07Å; V148-Y182 HydrophobicContact CG1-CE1 4.14Å; V148-Y182 HydrophobicContact CG2-CD1 3.9Å; V148-Y182 HydrophobicContact CG2-CE1 3.85Å
149	Q	93.5	Very high	94.7	Very high	121 Å²	121	47.6 Å²	47.6	57%	0.565	25%	0.247	S	C	*	.	H	α-helix	trans	-64.1	-31.2	-179.9	-73.3	177.5	-1.8	0	0	112.8	E145 Y146 N151	E145-Q149 HydrophobicContact CG-CG 4.25Å; E145-Q149 VanDerWaalsContact CG-NE2 3.26Å; E145-Q149 WeakPolarHBondContact O-CB 3.44Å; E145-Q149 WeakPolarHBondContact O-CG 3.27Å; E145-Q149 PolarHBondContact O-N 2.92Å; E145-Q149 PolarHBondContact OE1-NE2 3.15Å; Y146-Q149 PolarHBondContact O-N 3.18Å; Q149-N151 VanDerWaalsContact C-N 3.31Å; Q149-N151 PolarHBondContact O-N 3Å
150	N	94.2	Very high	94.8	Very high	69 Å²	69	47 Å²	47	37%	0.369	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	15.4	176.9	-67.6	-69.8	0	0	0	113.8	Y146 V148 H152	Y146-N150 WeakPolarHBondContact CD1-ND2 3.37Å; Y146-N150 WeakPolarHBondContact CD2-ND2 3.47Å; Y146-N150 VanDerWaalsContact CE1-ND2 3.33Å; Y146-N150 WeakPolarHBondContact CE1-ND2 3.48Å; Y146-N150 VanDerWaalsContact CE2-ND2 3.31Å; Y146-N150 WeakPolarHBondContact CE2-ND2 3.48Å; Y146-N150 WeakPolarHBondContact O-CB 3.26Å; Y146-N150 PolarHBondContact O-N 3.01Å; Y146-N150 PolarHBondContact O-ND2 3.37Å; V148-N150 VanDerWaalsContact C-N 3.27Å; V148-N150 PolarHBondContact O-N 2.98Å; N150-H152 PolarHBondContact O-N 3.38Å
151	N	93.1	Very high	95.1	Very high	133 Å²	133	50.6 Å²	50.6	71%	0.711	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	20.8	175.4	-59.9	-55.8	0	0	0	116.1	V148 Q149 L153	V148-N151 PolarHBondContact O-N 2.82Å; V148-N151 VanDerWaalsContact O-N 3.14Å; Q149-N151 VanDerWaalsContact C-N 3.31Å; Q149-N151 PolarHBondContact O-N 3Å; N151-L153 VanDerWaalsContact C-N 3.32Å; N151-L153 PolarHBondContact O-N 3.18Å
152	H	94.9	Very high	95.3	Very high	40 Å²	40	51 Å²	51	19%	0.185	27%	0.266	C	S	.	.	H	α-helix	trans	-81.4	-9.3	178.7	-68.5	-53.8	0	0	0	113.8	L147 N150 E154 E155 V156	L147-H152 HydrophobicContact CD2-CB 4.18Å; L147-H152 HydrophobicContact CG-CB 4.01Å; L147-H152 PolarHBondContact O-N 2.7Å; L147-H152 VanDerWaalsContact O-N 3.1Å; N150-H152 PolarHBondContact O-N 3.38Å; H152-E154 PolarHBondContact O-N 3.33Å; H152-E155 IonicContact CE1-OE2 3.44Å; H152-E155 IonicContact CG-OE2 3.03Å; H152-E155 IonicContact ND1-OE2 2.82Å; H152-E155 PolarHBondContact ND1-OE2 3.4Å; H152-E155 PolarHBondContact O-N 3.42Å; H152-V156 VanDerWaalsContact O-CG2 3.31Å; H152-V156 WeakPolarHBondContact O-CG2 3.16Å; H152-V156 PolarHBondContact O-N 3.31Å
153	L	95	Very high	95.4	Very high	16 Å²	16	49.1 Å²	49.1	8%	0.084	25%	0.252	C	S	.	.	H	α-helix	trans	-56.8	-49.3	-175.1	-173.3	68.1	0	0	0	112.4	L147 V148 N151 V156 V157 L179 R189 L190	L147-L153 HydrophobicContact CD2-CB 4.11Å; L147-L153 HydrophobicContact CD2-CD1 4.12Å; V148-L153 HydrophobicContact CG2-CD1 4.34Å; V148-L153 HydrophobicContact CG2-CD2 4.45Å; N151-L153 VanDerWaalsContact C-N 3.32Å; N151-L153 PolarHBondContact O-N 3.18Å; L153-V156 PolarHBondContact O-N 2.9Å; L153-V157 WeakPolarHBondContact O-CG2 3.49Å; L153-V157 PolarHBondContact O-N 3.18Å; L153-V157 VanDerWaalsContact O-N 3.09Å; L153-L179 HydrophobicContact CD1-CD1 4.33Å; L153-L179 HydrophobicContact CD1-CD2 4.16Å; L153-R189 HydrophobicContact CD2-CB 4.45Å; L153-R189 HydrophobicContact CD2-CG 4.13Å; L153-L190 HydrophobicContact CD1-CD2 3.81Å; L153-L190 HydrophobicContact CD1-CG 4.3Å; L153-L190 HydrophobicContact CG-CD2 4.25Å
154	E	95.8	Very high	95.3	Very high	89 Å²	89	55.8 Å²	55.8	42%	0.416	28%	0.281	S	S	.	.	H	α-helix	trans	-68.7	-38.6	-178.1	-175.7	163.7	163.1	0	0	112.2	H152 V157 N158 R189 L193	H152-E154 PolarHBondContact O-N 3.33Å; E154-V157 PolarHBondContact O-N 3.27Å; E154-N158 WeakPolarHBondContact O-CB 3.4Å; E154-N158 VanDerWaalsContact O-CG 3.26Å; E154-N158 PolarHBondContact O-N 2.9Å; E154-N158 PolarHBondContact O-ND2 2.64Å; E154-R189 IonicContact OE2-CZ 2.89Å; E154-R189 IonicContact OE2-NH2 2.75Å; E154-R189 PolarHBondContact OE2-NH2 3.34Å; E154-L193 HydrophobicContact CB-CD1 4.14Å; E154-L193 HydrophobicContact CG-CD1 4.22Å; E154-L193 HydrophobicContact CG-CD2 3.87Å
155	E	96.2	Very high	95.2	Very high	94 Å²	94	62 Å²	62	44%	0.439	31%	0.311	S	S	.	.	H	α-helix	trans	-62.6	-45.2	176.9	-57	-176.4	116.9	0	0	111.3	L119 H152 V157 N158 V159	L119-E155 HydrophobicContact CD1-CB 4Å; L119-E155 HydrophobicContact CD2-CB 3.77Å; L119-E155 HydrophobicContact CG-CB 4.46Å; H152-E155 IonicContact CE1-OE2 3.44Å; H152-E155 IonicContact CG-OE2 3.03Å; H152-E155 IonicContact ND1-OE2 2.82Å; H152-E155 PolarHBondContact ND1-OE2 3.4Å; H152-E155 PolarHBondContact O-N 3.42Å; E155-V157 PolarHBondContact O-N 3.33Å; E155-N158 PolarHBondContact O-N 3.35Å; E155-V159 PolarHBondContact O-N 3.05Å; E155-V159 VanDerWaalsContact O-N 3.12Å
156	V	96.9	Very high	95.1	Very high	3 Å²	3	61 Å²	61	2%	0.018	32%	0.322	C	S	.	.	H	α-helix	trans	-61.7	-44.8	176.8	171.1	0	0	0	0	110.7	L115 F118 L119 L147 H152 L153 N158 V159 C160 L179	L115-V156 HydrophobicContact CD2-CG2 4.24Å; F118-V156 HydrophobicContact CE1-CG1 4.16Å; L119-V156 HydrophobicContact CD2-CB 4.43Å; L119-V156 HydrophobicContact CD2-CG2 3.84Å; L147-V156 HydrophobicContact CD1-CG2 4.36Å; H152-V156 VanDerWaalsContact O-CG2 3.31Å; H152-V156 WeakPolarHBondContact O-CG2 3.16Å; H152-V156 PolarHBondContact O-N 3.31Å; L153-V156 PolarHBondContact O-N 2.9Å; V156-N158 VanDerWaalsContact C-N 3.33Å; V156-N158 PolarHBondContact O-N 3.13Å; V156-V159 PolarHBondContact O-N 2.99Å; V156-C160 WeakPolarHBondContact O-CB 3.34Å; V156-C160 PolarHBondContact O-N 3.48Å; V156-C160 PolarHBondContact O-SG 2.9Å; V156-C160 VanDerWaalsContact O-SG 3.37Å; V156-L179 HydrophobicContact CG1-CD1 4Å
157	V	97.1	Very high	95	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-60.7	-43.5	178.3	176.3	0	0	0	0	111	L153 E154 E155 V159 C160 K161 F176 L190 L193	L153-V157 WeakPolarHBondContact O-CG2 3.49Å; L153-V157 PolarHBondContact O-N 3.18Å; L153-V157 VanDerWaalsContact O-N 3.09Å; E154-V157 PolarHBondContact O-N 3.27Å; E155-V157 PolarHBondContact O-N 3.33Å; V157-V159 PolarHBondContact O-N 3.49Å; V157-C160 PolarHBondContact O-N 3.16Å; V157-K161 HydrophobicContact CG1-CD 3.81Å; V157-K161 HydrophobicContact CG1-CG 4.29Å; V157-K161 WeakPolarHBondContact O-CG 3.44Å; V157-K161 PolarHBondContact O-N 2.89Å; V157-F176 HydrophobicContact CB-CE1 4.25Å; V157-F176 HydrophobicContact CG1-CE1 4.11Å; V157-F176 HydrophobicContact CG1-CZ 4.12Å; V157-F176 HydrophobicContact CG2-CE1 3.9Å; V157-L190 HydrophobicContact CG2-CD2 3.52Å; V157-L193 HydrophobicContact CB-CB 4.4Å; V157-L193 HydrophobicContact CB-CD1 4.31Å; V157-L193 HydrophobicContact CG1-CB 3.72Å; V157-L193 HydrophobicContact CG2-CB 4.49Å; V157-L193 HydrophobicContact CG2-CD1 4Å
158	N	96.3	Very high	95	Very high	86 Å²	86	64.8 Å²	64.8	46%	0.46	34%	0.343	S	S	.	.	H	α-helix	trans	-61.9	-43.3	179.8	-74.7	-29.8	0	0	0	112.3	E154 E155 V156	E154-N158 WeakPolarHBondContact O-CB 3.4Å; E154-N158 VanDerWaalsContact O-CG 3.26Å; E154-N158 PolarHBondContact O-N 2.9Å; E154-N158 PolarHBondContact O-ND2 2.64Å; E155-N158 PolarHBondContact O-N 3.35Å; V156-N158 VanDerWaalsContact C-N 3.33Å; V156-N158 PolarHBondContact O-N 3.13Å
159	V	97	Very high	95.2	Very high	22 Å²	22	63.3 Å²	63.3	13%	0.133	33%	0.334	C	S	.	.	H	α-helix	trans	-65.4	-46.2	175.1	176.2	0	0	0	0	110.9	F118 L119 K128 E155 V156 V157 K161 A162 M163	F118-V159 HydrophobicContact CD1-CG1 4.36Å; F118-V159 HydrophobicContact CE1-CB 3.95Å; F118-V159 HydrophobicContact CE1-CG1 3.77Å; F118-V159 HydrophobicContact CE2-CG1 4.31Å; F118-V159 HydrophobicContact CZ-CB 4.32Å; F118-V159 HydrophobicContact CZ-CG1 3.74Å; L119-V159 HydrophobicContact CD2-CG2 4.01Å; K128-V159 HydrophobicContact CD-CG1 4.17Å; E155-V159 PolarHBondContact O-N 3.05Å; E155-V159 VanDerWaalsContact O-N 3.12Å; V156-V159 PolarHBondContact O-N 2.99Å; V157-V159 PolarHBondContact O-N 3.49Å; V159-K161 VanDerWaalsContact C-N 3.33Å; V159-K161 PolarHBondContact O-N 3.24Å; V159-A162 PolarHBondContact O-N 2.94Å; V159-A162 VanDerWaalsContact O-N 3.15Å; V159-M163 HydrophobicContact CG1-SD 4.26Å; V159-M163 WeakPolarHBondContact O-CG 3.3Å
160	C	97.2	Very high	95.3	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-58.8	-40.1	178.7	-77.2	0	0	0	0	112.8	V156 V157 A162 M163 F176 H198	V156-C160 WeakPolarHBondContact O-CB 3.34Å; V156-C160 PolarHBondContact O-N 3.48Å; V156-C160 PolarHBondContact O-SG 2.9Å; V156-C160 VanDerWaalsContact O-SG 3.37Å; V157-C160 PolarHBondContact O-N 3.16Å; C160-A162 PolarHBondContact O-N 3.23Å; C160-M163 WeakPolarHBondContact O-CB 3.27Å; C160-M163 PolarHBondContact O-N 2.92Å; C160-F176 HydrophobicContact CB-CD2 4.43Å; C160-F176 HydrophobicContact CB-CE1 4.14Å; C160-F176 HydrophobicContact CB-CE2 3.55Å; C160-F176 HydrophobicContact CB-CZ 3.38Å; C160-H198 PolarHBondContact O-CE1 2.99Å; C160-H198 PolarHBondContact O-NE2 3.05Å
161	K	96.4	Very high	95.4	Very high	80 Å²	80	56.4 Å²	56.4	35%	0.348	30%	0.298	S	S	.	.	H	α-helix	trans	-64.8	-23.5	178.6	-75.1	172.3	69.3	179	0	114.1	V157 V159 M163 K164 L193	V157-K161 HydrophobicContact CG1-CD 3.81Å; V157-K161 HydrophobicContact CG1-CG 4.29Å; V157-K161 WeakPolarHBondContact O-CG 3.44Å; V157-K161 PolarHBondContact O-N 2.89Å; V159-K161 VanDerWaalsContact C-N 3.33Å; V159-K161 PolarHBondContact O-N 3.24Å; K161-M163 VanDerWaalsContact C-N 3.34Å; K161-K164 WeakPolarHBondContact O-CE 3.46Å; K161-L193 WeakPolarHBondContact CD-O 3.29Å; K161-L193 PolarHBondContact NZ-O 3Å
162	A	95.4	Very high	95.7	Very high	75 Å²	75	50 Å²	50	62%	0.62	26%	0.264	S	S	*	.	H	α-helix	trans	-80.7	-16.1	174	0	0	0	0	0	112.8	V159 C160 K164	V159-A162 PolarHBondContact O-N 2.94Å; V159-A162 VanDerWaalsContact O-N 3.15Å; C160-A162 PolarHBondContact O-N 3.23Å; A162-K164 PolarHBondContact O-N 2.79Å
163	M	95.2	Very high	95.8	Very high	6 Å²	6	48.1 Å²	48.1	3%	0.03	26%	0.255	C	S	.	.			trans	-89.5	77.3	-175.9	-68.6	-179.9	89.4	0	0	111.1	F118 K128 V129 V159 C160 K161 K168 L169 S172	F118-M163 HydrophobicContact CE2-SD 4.12Å; F118-M163 HydrophobicContact CZ-SD 4.13Å; K128-M163 HydrophobicContact CB-CE 4.35Å; V129-M163 HydrophobicContact CG2-CE 3.8Å; V159-M163 HydrophobicContact CG1-SD 4.26Å; V159-M163 WeakPolarHBondContact O-CG 3.3Å; C160-M163 WeakPolarHBondContact O-CB 3.27Å; C160-M163 PolarHBondContact O-N 2.92Å; K161-M163 VanDerWaalsContact C-N 3.34Å; M163-K168 HydrophobicContact CB-CB 3.77Å; M163-K168 HydrophobicContact CE-CB 3.75Å; M163-K168 HydrophobicContact CE-CG 4.03Å; M163-K168 HydrophobicContact CG-CB 4.06Å; M163-L169 VanDerWaalsContact O-CA 3.25Å; M163-L169 WeakPolarHBondContact O-CA 3.44Å; M163-S172 PolarHBondContact O-OG 3.09Å
164	K	93.3	Very high	95.8	Very high	140 Å²	140	47.4 Å²	47.4	61%	0.609	25%	0.251	S	S	*	.			trans	-97.2	-9.4	-168.5	-63.2	-175.7	-179.5	-179.1	0	116.8	K161 A162	K161-K164 WeakPolarHBondContact O-CE 3.46Å; A162-K164 PolarHBondContact O-N 2.79Å
165	E	92.2	Very high	95.9	Very high	146 Å²	146	43.2 Å²	43.2	68%	0.682	23%	0.232	S	C	*	.	S	Bend	trans	-135.9	151.9	-170.7	-68.5	173.5	-169.5	0	0	113.4	D167 K168 L169	E165-D167 PolarHBondContact O-N 3.37Å; E165-K168 WeakPolarHBondContact O-CB 3.38Å; E165-K168 PolarHBondContact O-N 2.87Å; E165-K168 VanDerWaalsContact O-N 3.12Å; E165-L169 PolarHBondContact O-N 3.28Å; E165-L169 VanDerWaalsContact O-N 3.08Å
166	G	92.5	Very high	96	Very high	58 Å²	58	38.8 Å²	38.8	60%	0.598	21%	0.211	S	C	*	.	H	α-helix	trans	52.9	-134	171.3	0	0	0	0	0	114.4	K168 L169 R170	G166-K168 PolarHBondContact O-N 3.21Å; G166-L169 PolarHBondContact O-N 3.01Å; G166-R170 PolarHBondContact O-N 3.41Å
167	D	94.3	Very high	95.9	Very high	86 Å²	86	39.1 Å²	39.1	46%	0.46	21%	0.212	S	C	.	.	H	α-helix	trans	-65	-28.4	178.6	-78	-15	0	0	0	112.8	V129 E165 R170 T171	V129-D167 HydrophobicContact CG1-CB 4.38Å; E165-D167 PolarHBondContact O-N 3.37Å; D167-R170 PolarHBondContact O-N 3.02Å; D167-R170 IonicContact OD1-CZ 3.78Å; D167-R170 IonicContact OD1-NH1 3.61Å; D167-R170 PolarHBondContact OD1-NH1 2.83Å; D167-R170 IonicContact OD1-NH2 3.01Å; D167-R170 PolarHBondContact OD1-NH2 3.38Å; D167-R170 IonicContact OD2-NH2 2.76Å; D167-T171 PolarHBondContact O-N 3.44Å; D167-T171 PolarHBondContact O-OG1 3.32Å
168	K	95.9	Very high	95.8	Very high	57 Å²	57	39.5 Å²	39.5	25%	0.248	22%	0.215	C	C	.	.	H	α-helix	trans	-63.6	-48.1	176.3	-60.8	-173.4	-73.3	-170.6	0	110.8	D125 V129 M163 E165 G166 R170 T171 S172	D125-K168 HydrophobicContact CB-CD 3.97Å; D125-K168 IonicContact OD1-NZ 3.56Å; D125-K168 WeakPolarHBondContact OD2-CD 3.35Å; D125-K168 WeakPolarHBondContact OD2-CE 3.33Å; D125-K168 IonicContact OD2-NZ 2.79Å; D125-K168 PolarHBondContact OD2-NZ 3.49Å; V129-K168 HydrophobicContact CG2-CB 4.38Å; V129-K168 HydrophobicContact CG2-CG 3.75Å; M163-K168 HydrophobicContact CB-CB 3.77Å; M163-K168 HydrophobicContact CE-CB 3.75Å; M163-K168 HydrophobicContact CE-CG 4.03Å; M163-K168 HydrophobicContact CG-CB 4.06Å; E165-K168 WeakPolarHBondContact O-CB 3.38Å; E165-K168 PolarHBondContact O-N 2.87Å; E165-K168 VanDerWaalsContact O-N 3.12Å; G166-K168 PolarHBondContact O-N 3.21Å; K168-R170 VanDerWaalsContact C-N 3.32Å; K168-R170 PolarHBondContact O-N 3.26Å; K168-T171 PolarHBondContact O-N 2.77Å; K168-S172 PolarHBondContact O-N 3.12Å
169	L	96.8	Very high	95.8	Very high	8 Å²	8	35.5 Å²	35.5	4%	0.042	19%	0.193	C	C	.	.	H	α-helix	trans	-56.1	-49.2	175.7	-175.7	62.8	0	0	0	110.7	M163 E165 G166 T171 S172 V173 A202 A205 T206 T211	M163-L169 VanDerWaalsContact O-CA 3.25Å; M163-L169 WeakPolarHBondContact O-CA 3.44Å; E165-L169 PolarHBondContact O-N 3.28Å; E165-L169 VanDerWaalsContact O-N 3.08Å; G166-L169 PolarHBondContact O-N 3.01Å; L169-T171 VanDerWaalsContact C-N 3.35Å; L169-T171 PolarHBondContact O-N 3.43Å; L169-S172 PolarHBondContact O-N 2.92Å; L169-S172 PolarHBondContact O-OG 3.33Å; L169-V173 HydrophobicContact CD1-CG2 4.23Å; L169-V173 HydrophobicContact CG-CG2 4.39Å; L169-V173 VanDerWaalsContact O-CG2 3.29Å; L169-V173 WeakPolarHBondContact O-CG2 3.23Å; L169-V173 PolarHBondContact O-N 2.81Å; L169-A202 HydrophobicContact CD1-CB 3.71Å; L169-A202 HydrophobicContact CD2-CB 4.17Å; L169-A202 HydrophobicContact CG-CB 4.13Å; L169-A205 HydrophobicContact CD2-CB 4.45Å; L169-T206 HydrophobicContact CD2-CG2 4.14Å; L169-T211 HydrophobicContact CD2-CG2 4.46Å; L169-T211 HydrophobicContact CG-CG2 4.39Å
170	R	96.3	Very high	95.8	Very high	45 Å²	45	34.4 Å²	34.4	17%	0.17	19%	0.187	C	C	.	.	H	α-helix	trans	-56.3	-47.6	179	-173.4	177.9	66.4	-136.3	-3.5	112.1	G166 D167 K168 V173 S174 K210 Y214	G166-R170 PolarHBondContact O-N 3.41Å; D167-R170 PolarHBondContact O-N 3.02Å; D167-R170 IonicContact OD1-CZ 3.78Å; D167-R170 IonicContact OD1-NH1 3.61Å; D167-R170 PolarHBondContact OD1-NH1 2.83Å; D167-R170 IonicContact OD1-NH2 3.01Å; D167-R170 PolarHBondContact OD1-NH2 3.38Å; D167-R170 IonicContact OD2-NH2 2.76Å; K168-R170 VanDerWaalsContact C-N 3.32Å; K168-R170 PolarHBondContact O-N 3.26Å; R170-V173 PolarHBondContact O-N 3.24Å; R170-S174 PolarHBondContact O-N 3.31Å; R170-S174 PolarHBondContact O-OG 3.49Å; R170-S174 VanDerWaalsContact O-OG 3.13Å; R170-K210 HydrophobicContact CG-CB 4.44Å; R170-Y214 HydrophobicContact CG-CD2 4.02Å; R170-Y214 HydrophobicContact CG-CE2 3.93Å
171	T	96.8	Very high	95.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.9	-42.7	179	-61.1	0	0	0	0	112	L133 D167 K168 L169 V173 S174 L175	L133-T171 HydrophobicContact CG-CG2 4.4Å; D167-T171 PolarHBondContact O-N 3.44Å; D167-T171 PolarHBondContact O-OG1 3.32Å; K168-T171 PolarHBondContact O-N 2.77Å; L169-T171 VanDerWaalsContact C-N 3.35Å; L169-T171 PolarHBondContact O-N 3.43Å; T171-V173 PolarHBondContact O-N 3.19Å; T171-S174 VanDerWaalsContact CA-OG 3.3Å; T171-S174 WeakPolarHBondContact CA-OG 3.28Å; T171-S174 PolarHBondContact O-N 3.1Å; T171-S174 PolarHBondContact O-OG 2.82Å; T171-L175 HydrophobicContact CG2-CD1 4.25Å; T171-L175 PolarHBondContact O-N 3.3Å
172	S	97.6	Very high	95.3	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62.5	-43.5	178.5	70.6	0	0	0	0	112.7	M163 K168 L169 L175 F176 H198	M163-S172 PolarHBondContact O-OG 3.09Å; K168-S172 PolarHBondContact O-N 3.12Å; L169-S172 PolarHBondContact O-N 2.92Å; L169-S172 PolarHBondContact O-OG 3.33Å; S172-L175 PolarHBondContact O-N 2.92Å; S172-F176 VanDerWaalsContact O-CD2 3.26Å; S172-F176 WeakPolarHBondContact O-CD2 3.27Å; S172-F176 PolarHBondContact O-N 3.48Å; S172-H198 PolarHBondContact OG-NE2 2.94Å
173	V	97.8	Very high	95.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-65.5	-40.8	177.8	176.3	0	0	0	0	110.4	L169 R170 T171 L175 F176 E177 I199 A202 T211 A215	L169-V173 HydrophobicContact CD1-CG2 4.23Å; L169-V173 HydrophobicContact CG-CG2 4.39Å; L169-V173 VanDerWaalsContact O-CG2 3.29Å; L169-V173 WeakPolarHBondContact O-CG2 3.23Å; L169-V173 PolarHBondContact O-N 2.81Å; R170-V173 PolarHBondContact O-N 3.24Å; T171-V173 PolarHBondContact O-N 3.19Å; V173-L175 VanDerWaalsContact C-N 3.34Å; V173-L175 PolarHBondContact O-N 3.27Å; V173-F176 PolarHBondContact O-N 3.34Å; V173-E177 WeakPolarHBondContact O-CB 3.48Å; V173-E177 PolarHBondContact O-N 3.38Å; V173-I199 HydrophobicContact CB-CD1 4.14Å; V173-I199 HydrophobicContact CG1-CD1 3.7Å; V173-I199 HydrophobicContact CG2-CD1 4.16Å; V173-A202 HydrophobicContact CG2-CB 3.59Å; V173-T211 HydrophobicContact CB-CG2 4.41Å; V173-T211 HydrophobicContact CG1-CG2 4.44Å; V173-T211 HydrophobicContact CG2-CG2 4.06Å; V173-A215 HydrophobicContact CG1-CB 3.97Å
174	S	96	Very high	95.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-66.8	-31.9	175.6	55.3	0	0	0	0	113.6	V136 R170 T171 E177 S178	V136-S174 WeakPolarHBondContact CG2-OG 3.21Å; R170-S174 PolarHBondContact O-N 3.31Å; R170-S174 PolarHBondContact O-OG 3.49Å; R170-S174 VanDerWaalsContact O-OG 3.13Å; T171-S174 VanDerWaalsContact CA-OG 3.3Å; T171-S174 WeakPolarHBondContact CA-OG 3.28Å; T171-S174 PolarHBondContact O-N 3.1Å; T171-S174 PolarHBondContact O-OG 2.82Å; S174-E177 WeakPolarHBondContact O-CB 3.46Å; S174-S178 PolarHBondContact O-N 3.05Å; S174-S178 PolarHBondContact O-OG 3.5Å
175	L	97.2	Very high	95.2	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.01	19%	0.186	C	C	.	.	H	α-helix	trans	-69.3	-45.7	174.6	-79.9	168	0	0	0	111.3	F118 L135 V136 L139 T171 S172 V173 E177 S178 L179	F118-L175 HydrophobicContact CE1-CD1 3.96Å; F118-L175 HydrophobicContact CE2-CD1 3.7Å; F118-L175 HydrophobicContact CZ-CD1 3.34Å; L135-L175 HydrophobicContact CB-CD2 3.75Å; V136-L175 HydrophobicContact CG2-CB 4.49Å; V136-L175 HydrophobicContact CG2-CD2 3.71Å; V136-L175 HydrophobicContact CG2-CG 3.76Å; L139-L175 HydrophobicContact CD1-CD2 4.1Å; T171-L175 HydrophobicContact CG2-CD1 4.25Å; T171-L175 PolarHBondContact O-N 3.3Å; S172-L175 PolarHBondContact O-N 2.92Å; V173-L175 VanDerWaalsContact C-N 3.34Å; V173-L175 PolarHBondContact O-N 3.27Å; L175-E177 VanDerWaalsContact C-N 3.28Å; L175-E177 PolarHBondContact O-N 3.15Å; L175-S178 PolarHBondContact O-N 2.91Å; L175-L179 WeakPolarHBondContact O-CG 3.44Å; L175-L179 PolarHBondContact O-N 2.99Å
176	F	97.8	Very high	95.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.8	-39.1	174.3	-73.5	-46.3	0	0	0	112.2	V157 C160 S172 V173 S178 L179 F180 A195 H198 I199	V157-F176 HydrophobicContact CB-CE1 4.25Å; V157-F176 HydrophobicContact CG1-CE1 4.11Å; V157-F176 HydrophobicContact CG1-CZ 4.12Å; V157-F176 HydrophobicContact CG2-CE1 3.9Å; C160-F176 HydrophobicContact CB-CD2 4.43Å; C160-F176 HydrophobicContact CB-CE1 4.14Å; C160-F176 HydrophobicContact CB-CE2 3.55Å; C160-F176 HydrophobicContact CB-CZ 3.38Å; S172-F176 VanDerWaalsContact O-CD2 3.26Å; S172-F176 WeakPolarHBondContact O-CD2 3.27Å; S172-F176 PolarHBondContact O-N 3.48Å; V173-F176 PolarHBondContact O-N 3.34Å; F176-S178 VanDerWaalsContact C-N 3.32Å; F176-S178 PolarHBondContact O-N 2.79Å; F176-L179 HydrophobicContact CD1-CD1 4.33Å; F176-L179 PolarHBondContact O-N 2.89Å; F176-L179 VanDerWaalsContact O-N 3.17Å; F176-F180 HydrophobicContact CB-CD2 4.4Å; F176-F180 HydrophobicContact CB-CE2 4Å; F176-F180 WeakPolarHBondContact O-CD2 3.45Å; F176-F180 WeakPolarHBondContact O-CG 3.43Å; F176-F180 PolarHBondContact O-N 3.04Å; F176-A195 HydrophobicContact CD1-CB 3.68Å; F176-A195 HydrophobicContact CE1-CB 3.51Å; F176-A195 HydrophobicContact CG-CB 4.3Å; F176-A195 HydrophobicContact CZ-CB 3.97Å; F176-H198 AromaticContact CD2-CD2 3.91Å; F176-H198 HydrophobicContact CE2-CB 4.03Å; F176-H198 AromaticContact CE2-CD2 3.49Å; F176-H198 VanDerWaalsContact CE2-CD2 3.49Å; F176-H198 WeakPolarHBondContact CE2-CD2 3.48Å; F176-H198 AromaticContact CE2-CG 3.91Å; F176-I199 HydrophobicContact CB-CD1 3.88Å; F176-I199 HydrophobicContact CB-CG1 4.42Å; F176-I199 HydrophobicContact CD2-CD1 4.12Å; F176-I199 HydrophobicContact CG-CD1 4.44Å
177	E	95.9	Very high	95.4	Very high	11 Å²	11	26.1 Å²	26.1	5%	0.051	13%	0.127	C	C	.	.	H	α-helix	trans	-54.1	-47.7	172.7	178.7	-96.4	146.1	0	0	112.5	V173 S174 L175 L217 A218 N221 R302	V173-E177 WeakPolarHBondContact O-CB 3.48Å; V173-E177 PolarHBondContact O-N 3.38Å; S174-E177 WeakPolarHBondContact O-CB 3.46Å; L175-E177 VanDerWaalsContact C-N 3.28Å; L175-E177 PolarHBondContact O-N 3.15Å; E177-L217 HydrophobicContact CG-CB 3.95Å; E177-L217 HydrophobicContact CG-CD2 4.02Å; E177-L217 HydrophobicContact CG-CG 3.67Å; E177-L217 VanDerWaalsContact OE1-CD2 3.22Å; E177-L217 WeakPolarHBondContact OE1-CD2 3.45Å; E177-L217 WeakPolarHBondContact OE1-CG 3.44Å; E177-A218 HydrophobicContact CB-CB 3.88Å; E177-A218 HydrophobicContact CG-CB 4.39Å; E177-N221 PolarHBondContact O-ND2 3.48Å; E177-R302 IonicContact OE1-CZ 2.73Å; E177-R302 IonicContact OE1-NH1 3.27Å; E177-R302 PolarHBondContact OE1-NH1 3.14Å; E177-R302 IonicContact OE2-CZ 3.48Å; E177-R302 VanDerWaalsContact OE2-CZ 3.27Å; E177-R302 IonicContact OE2-NH1 2.87Å; E177-R302 PolarHBondContact OE2-NH1 3.35Å; E177-R302 IonicContact OE2-NH2 3.37Å; E177-R302 PolarHBondContact OE2-NH2 3.46Å
178	S	94.2	Very high	95.5	Very high	7 Å²	7	23.1 Å²	23.1	5%	0.049	11%	0.113	C	C	.	.	H	α-helix	trans	-64.6	-43.2	175.5	-67.6	0	0	0	0	112	V136 R144 S174 L175 F176 K181	V136-S178 PolarHBondContact O-OG 3.37Å; R144-S178 WeakPolarHBondContact CD-O 3.33Å; S174-S178 PolarHBondContact O-N 3.05Å; S174-S178 PolarHBondContact O-OG 3.5Å; L175-S178 PolarHBondContact O-N 2.91Å; F176-S178 VanDerWaalsContact C-N 3.32Å; F176-S178 PolarHBondContact O-N 2.79Å; S178-K181 WeakPolarHBondContact O-CB 3.43Å; S178-K181 PolarHBondContact O-N 3.4Å
179	L	96.3	Very high	95.5	Very high	2 Å²	2	25 Å²	25	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-67.4	-34.3	-176.5	-70.6	172.8	0	0	0	113.3	L139 L147 L153 V156 L175 F176 K181 L190	L139-L179 HydrophobicContact CD1-CD2 4.5Å; L147-L179 HydrophobicContact CD1-CD2 4.19Å; L147-L179 HydrophobicContact CD2-CD2 4.23Å; L153-L179 HydrophobicContact CD1-CD1 4.33Å; L153-L179 HydrophobicContact CD1-CD2 4.16Å; V156-L179 HydrophobicContact CG1-CD1 4Å; L175-L179 WeakPolarHBondContact O-CG 3.44Å; L175-L179 PolarHBondContact O-N 2.99Å; F176-L179 HydrophobicContact CD1-CD1 4.33Å; F176-L179 PolarHBondContact O-N 2.89Å; F176-L179 VanDerWaalsContact O-N 3.17Å; L179-K181 PolarHBondContact O-N 3.48Å; L179-L190 HydrophobicContact CB-CD1 3.98Å; L179-L190 HydrophobicContact CD1-CD2 4.43Å
180	F	96.3	Very high	95.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-7.3	177.7	-70.7	-49.6	0	0	0	114.3	F176 N187 L190 A195 I199 A218 N221 L222 Y225	F176-F180 HydrophobicContact CB-CD2 4.4Å; F176-F180 HydrophobicContact CB-CE2 4Å; F176-F180 WeakPolarHBondContact O-CD2 3.45Å; F176-F180 WeakPolarHBondContact O-CG 3.43Å; F176-F180 PolarHBondContact O-N 3.04Å; F180-N187 WeakPolarHBondContact CA-OD1 3.33Å; F180-N187 WeakPolarHBondContact CD1-OD1 3.17Å; F180-N187 PolarHBondContact O-ND2 3.01Å; F180-N187 PolarHBondContact O-OD1 2.8Å; F180-L190 HydrophobicContact CD1-CB 4.37Å; F180-L190 HydrophobicContact CD1-CD1 3.68Å; F180-L190 HydrophobicContact CE1-CB 3.78Å; F180-L190 HydrophobicContact CE1-CD1 3.88Å; F180-L190 HydrophobicContact CE1-CG 4.43Å; F180-A195 HydrophobicContact CE1-CB 4.37Å; F180-A195 HydrophobicContact CZ-CB 3.92Å; F180-I199 HydrophobicContact CE2-CG1 4.13Å; F180-A218 HydrophobicContact CD2-CB 3.88Å; F180-A218 HydrophobicContact CE2-CB 4.19Å; F180-N221 HydrophobicContact CB-CB 3.94Å; F180-L222 HydrophobicContact CB-CB 4.3Å; F180-L222 HydrophobicContact CD1-CB 4.17Å; F180-L222 HydrophobicContact CD1-CD1 3.66Å; F180-L222 HydrophobicContact CD1-CG 4.32Å; F180-L222 HydrophobicContact CD2-CB 4.32Å; F180-L222 HydrophobicContact CE1-CD1 3.82Å; F180-L222 HydrophobicContact CE1-CD2 4.11Å; F180-L222 HydrophobicContact CE1-CG 4.39Å; F180-L222 HydrophobicContact CG-CB 4.04Å; F180-L222 HydrophobicContact CG-CD1 4.37Å; F180-L222 HydrophobicContact CZ-CD2 4.18Å; F180-Y225 WeakPolarHBondContact O-CB 3.37Å
181	K	92.5	Very high	95.6	Very high	47 Å²	47	23.1 Å²	23.1	20%	0.204	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	35.9	-180	-160	-162.6	170.4	-175.1	0	113	R144 S178 L179 Y225	R144-K181 PolarHBondContact NE-O 3.44Å; S178-K181 WeakPolarHBondContact O-CB 3.43Å; S178-K181 PolarHBondContact O-N 3.4Å; L179-K181 PolarHBondContact O-N 3.48Å; K181-Y225 HydrophobicContact CB-CE2 4.39Å; K181-Y225 HydrophobicContact CG-CD2 4.45Å; K181-Y225 HydrophobicContact CG-CE1 4.46Å; K181-Y225 HydrophobicContact CG-CE2 3.63Å
182	Y	92.2	Very high	95.5	Very high	67 Å²	67	28.9 Å²	28.9	26%	0.263	14%	0.139	S	C	.	.	S	Bend	trans	-114.7	-79.1	-179.1	-179.2	-126.7	0	0	0	113.2	R144 E145 V148	R144-Y182 HydrophobicContact CB-CD2 4.01Å; R144-Y182 HydrophobicContact CB-CG 4.17Å; E145-Y182 HydrophobicContact CB-CE2 3.73Å; E145-Y182 HydrophobicContact CG-CE2 4.41Å; V148-Y182 HydrophobicContact CB-CE1 4.07Å; V148-Y182 HydrophobicContact CG1-CE1 4.14Å; V148-Y182 HydrophobicContact CG2-CD1 3.9Å; V148-Y182 HydrophobicContact CG2-CE1 3.85Å
183	S	92.4	Very high	95.5	Very high	25 Å²	25	29.7 Å²	29.7	18%	0.175	14%	0.143	C	C	.	.			trans	-149.5	163.6	-176.4	90.9	0	0	0	0	111.8	E185 S186 N187	S183-E185 VanDerWaalsContact C-N 3.34Å; S183-E185 VanDerWaalsContact CB-OE2 3.28Å; S183-E185 WeakPolarHBondContact CB-OE2 3.33Å; S183-E185 PolarHBondContact O-N 3.17Å; S183-E185 PolarHBondContact OG-N 2.98Å; S183-E185 PolarHBondContact OG-OE2 3.14Å; S183-S186 PolarHBondContact O-N 3.1Å; S183-S186 PolarHBondContact OG-N 3.15Å; S183-N187 WeakPolarHBondContact O-CB 3.32Å; S183-N187 VanDerWaalsContact O-CG 3.31Å; S183-N187 PolarHBondContact O-N 3.07Å
184	V	93.6	Very high	95.5	Very high	46 Å²	46	30 Å²	30	28%	0.279	15%	0.147	S	C	.	.	H	α-helix	trans	-60.8	-44	176.8	177.7	0	0	0	0	110.9	S186 N187 A188 Y225 D227	V184-S186 PolarHBondContact O-N 3.29Å; V184-N187 PolarHBondContact O-N 3.43Å; V184-A188 PolarHBondContact O-N 3.46Å; V184-Y225 WeakPolarHBondContact CA-O 3.19Å; V184-D227 HydrophobicContact CG1-CB 3.76Å; V184-D227 VanDerWaalsContact CG1-CG 3.47Å
185	E	93.9	Very high	95.6	Very high	140 Å²	140	30 Å²	30	65%	0.654	15%	0.147	S	C	*	.	H	α-helix	trans	-64.5	-41.1	-179	-55.6	76.2	-167.5	0	0	111.6	S183 N187 A188 R189	S183-E185 VanDerWaalsContact C-N 3.34Å; S183-E185 VanDerWaalsContact CB-OE2 3.28Å; S183-E185 WeakPolarHBondContact CB-OE2 3.33Å; S183-E185 PolarHBondContact O-N 3.17Å; S183-E185 PolarHBondContact OG-N 2.98Å; S183-E185 PolarHBondContact OG-OE2 3.14Å; E185-N187 VanDerWaalsContact C-N 3.34Å; E185-A188 PolarHBondContact O-N 2.86Å; E185-R189 PolarHBondContact O-N 3.32Å; E185-R189 VanDerWaalsContact O-N 3.15Å
186	S	94.1	Very high	95.6	Very high	6 Å²	6	30 Å²	30	4%	0.042	15%	0.147	C	C	.	.	H	α-helix	trans	-66.1	-38.8	175.8	-175.9	0	0	0	0	111.5	S183 V184 R189 L190	S183-S186 PolarHBondContact O-N 3.1Å; S183-S186 PolarHBondContact OG-N 3.15Å; V184-S186 PolarHBondContact O-N 3.29Å; S186-R189 PolarHBondContact O-N 3.21Å; S186-L190 WeakPolarHBondContact O-CB 3.42Å; S186-L190 VanDerWaalsContact O-CG 3.28Å; S186-L190 WeakPolarHBondContact O-CG 3.5Å; S186-L190 PolarHBondContact O-N 3.01Å
187	N	96.4	Very high	95.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-66.2	-40.7	176.9	-75.8	-11.3	0	0	0	112.4	F180 S183 V184 E185 R189 L190 I191 L222 Y225	F180-N187 WeakPolarHBondContact CA-OD1 3.33Å; F180-N187 WeakPolarHBondContact CD1-OD1 3.17Å; F180-N187 PolarHBondContact O-ND2 3.01Å; F180-N187 PolarHBondContact O-OD1 2.8Å; S183-N187 WeakPolarHBondContact O-CB 3.32Å; S183-N187 VanDerWaalsContact O-CG 3.31Å; S183-N187 PolarHBondContact O-N 3.07Å; V184-N187 PolarHBondContact O-N 3.43Å; E185-N187 VanDerWaalsContact C-N 3.34Å; N187-R189 VanDerWaalsContact C-N 3.31Å; N187-R189 PolarHBondContact O-N 3.39Å; N187-L190 PolarHBondContact O-N 3.03Å; N187-I191 VanDerWaalsContact O-CG1 3.32Å; N187-I191 WeakPolarHBondContact O-CG1 3.38Å; N187-I191 PolarHBondContact O-N 3.36Å; N187-L222 HydrophobicContact CB-CD1 3.76Å; N187-Y225 VanDerWaalsContact ND2-CB 3.28Å; N187-Y225 WeakPolarHBondContact ND2-CB 3.44Å; N187-Y225 PolarHBondContact ND2-O 3.25Å
188	A	95.8	Very high	95.6	Very high	22 Å²	22	33.3 Å²	33.3	18%	0.182	16%	0.164	C	C	.	.	H	α-helix	trans	-55.8	-47.6	171.7	0	0	0	0	0	111.1	V184 E185 I191 E192	V184-A188 PolarHBondContact O-N 3.46Å; E185-A188 PolarHBondContact O-N 2.86Å; A188-I191 PolarHBondContact O-N 2.87Å; A188-E192 WeakPolarHBondContact O-CG 3.46Å; A188-E192 PolarHBondContact O-N 3.21Å; A188-E192 VanDerWaalsContact O-N 3.11Å
189	R	95.9	Very high	95.8	Very high	97 Å²	97	33 Å²	33	37%	0.366	16%	0.162	S	C	.	.	H	α-helix	trans	-65.2	-41.5	178	-175.9	58.1	180	162.9	0.4	112.8	L153 E154 E185 S186 N187 I191 E192 L193	L153-R189 HydrophobicContact CD2-CB 4.45Å; L153-R189 HydrophobicContact CD2-CG 4.13Å; E154-R189 IonicContact OE2-CZ 2.89Å; E154-R189 IonicContact OE2-NH2 2.75Å; E154-R189 PolarHBondContact OE2-NH2 3.34Å; E185-R189 PolarHBondContact O-N 3.32Å; E185-R189 VanDerWaalsContact O-N 3.15Å; S186-R189 PolarHBondContact O-N 3.21Å; N187-R189 VanDerWaalsContact C-N 3.31Å; N187-R189 PolarHBondContact O-N 3.39Å; R189-I191 VanDerWaalsContact C-N 3.33Å; R189-I191 PolarHBondContact O-N 3.42Å; R189-E192 IonicContact NH1-OE2 3.99Å; R189-E192 PolarHBondContact NH1-OE2 2.98Å; R189-E192 PolarHBondContact O-N 3.37Å; R189-L193 HydrophobicContact CG-CD1 3.99Å; R189-L193 HydrophobicContact CG-CG 4.42Å; R189-L193 VanDerWaalsContact O-CG 3.28Å; R189-L193 WeakPolarHBondContact O-CG 3.25Å; R189-L193 PolarHBondContact O-N 3.26Å
190	L	97.3	Very high	95.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62	-40.2	177.2	-76.4	169.4	0	0	0	111.7	L153 V157 L179 F180 S186 N187 L193 G194 A195	L153-L190 HydrophobicContact CD1-CD2 3.81Å; L153-L190 HydrophobicContact CD1-CG 4.3Å; L153-L190 HydrophobicContact CG-CD2 4.25Å; V157-L190 HydrophobicContact CG2-CD2 3.52Å; L179-L190 HydrophobicContact CB-CD1 3.98Å; L179-L190 HydrophobicContact CD1-CD2 4.43Å; F180-L190 HydrophobicContact CD1-CB 4.37Å; F180-L190 HydrophobicContact CD1-CD1 3.68Å; F180-L190 HydrophobicContact CE1-CB 3.78Å; F180-L190 HydrophobicContact CE1-CD1 3.88Å; F180-L190 HydrophobicContact CE1-CG 4.43Å; S186-L190 WeakPolarHBondContact O-CB 3.42Å; S186-L190 VanDerWaalsContact O-CG 3.28Å; S186-L190 WeakPolarHBondContact O-CG 3.5Å; S186-L190 PolarHBondContact O-N 3.01Å; N187-L190 PolarHBondContact O-N 3.03Å; L190-L193 PolarHBondContact O-N 2.7Å; L190-G194 PolarHBondContact O-N 3.15Å; L190-A195 HydrophobicContact CB-CB 4.05Å; L190-A195 HydrophobicContact CD2-CB 4.24Å; L190-A195 WeakPolarHBondContact O-CB 3.47Å; L190-A195 PolarHBondContact O-N 3.4Å
191	I	97	Very high	95.7	Very high	13 Å²	13	36 Å²	36	7%	0.067	19%	0.186	C	C	.	.	H	α-helix	trans	-61.8	-48	174.4	-68.5	168.1	0	0	0	110.1	N187 A188 R189 L193 G194 L196 L222 C230 K233	N187-I191 VanDerWaalsContact O-CG1 3.32Å; N187-I191 WeakPolarHBondContact O-CG1 3.38Å; N187-I191 PolarHBondContact O-N 3.36Å; A188-I191 PolarHBondContact O-N 2.87Å; R189-I191 VanDerWaalsContact C-N 3.33Å; R189-I191 PolarHBondContact O-N 3.42Å; I191-L193 VanDerWaalsContact C-N 3.3Å; I191-L193 PolarHBondContact O-N 3.01Å; I191-G194 PolarHBondContact O-N 3.36Å; I191-L196 HydrophobicContact CG1-CB 4.36Å; I191-L196 HydrophobicContact CG1-CD2 4.49Å; I191-L222 HydrophobicContact CD1-CD1 4.17Å; I191-L222 HydrophobicContact CG1-CD1 4.43Å; I191-L222 HydrophobicContact CG1-CD2 4.47Å; I191-C230 HydrophobicContact CD1-CB 4.17Å; I191-K233 HydrophobicContact CD1-CB 4.41Å; I191-K233 HydrophobicContact CG2-CB 4.12Å; I191-K233 HydrophobicContact CG2-CD 4.08Å
192	E	96.3	Very high	95.8	Very high	121 Å²	121	33.8 Å²	33.8	57%	0.565	18%	0.177	S	C	*	.	H	α-helix	trans	-59.9	-38.3	178.4	-71.9	171.9	-175.6	0	0	113.2	A188 R189 G194	A188-E192 WeakPolarHBondContact O-CG 3.46Å; A188-E192 PolarHBondContact O-N 3.21Å; A188-E192 VanDerWaalsContact O-N 3.11Å; R189-E192 IonicContact NH1-OE2 3.99Å; R189-E192 PolarHBondContact NH1-OE2 2.98Å; R189-E192 PolarHBondContact O-N 3.37Å; E192-G194 PolarHBondContact O-N 3.44Å
193	L	96.9	Very high	95.9	Very high	17 Å²	17	30.7 Å²	30.7	9%	0.089	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-6	177.3	-67.1	172.5	0	0	0	113	E154 V157 K161 R189 L190 I191	E154-L193 HydrophobicContact CB-CD1 4.14Å; E154-L193 HydrophobicContact CG-CD1 4.22Å; E154-L193 HydrophobicContact CG-CD2 3.87Å; V157-L193 HydrophobicContact CB-CB 4.4Å; V157-L193 HydrophobicContact CB-CD1 4.31Å; V157-L193 HydrophobicContact CG1-CB 3.72Å; V157-L193 HydrophobicContact CG2-CB 4.49Å; V157-L193 HydrophobicContact CG2-CD1 4Å; K161-L193 WeakPolarHBondContact CD-O 3.29Å; K161-L193 PolarHBondContact NZ-O 3Å; R189-L193 HydrophobicContact CG-CD1 3.99Å; R189-L193 HydrophobicContact CG-CG 4.42Å; R189-L193 VanDerWaalsContact O-CG 3.28Å; R189-L193 WeakPolarHBondContact O-CG 3.25Å; R189-L193 PolarHBondContact O-N 3.26Å; L190-L193 PolarHBondContact O-N 2.7Å; I191-L193 VanDerWaalsContact C-N 3.3Å; I191-L193 PolarHBondContact O-N 3.01Å
194	G	97	Very high	95.8	Very high	8 Å²	8	32 Å²	32	8%	0.082	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	23.4	177.4	0	0	0	0	0	114.3	L190 I191 E192 H198	L190-G194 PolarHBondContact O-N 3.15Å; I191-G194 PolarHBondContact O-N 3.36Å; E192-G194 PolarHBondContact O-N 3.44Å; G194-H198 PolarHBondContact O-N 2.82Å
195	A	97.9	Very high	95.6	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.8	-42.3	174.8	0	0	0	0	0	111.5	F176 F180 L190 H198 I199	F176-A195 HydrophobicContact CD1-CB 3.68Å; F176-A195 HydrophobicContact CE1-CB 3.51Å; F176-A195 HydrophobicContact CG-CB 4.3Å; F176-A195 HydrophobicContact CZ-CB 3.97Å; F180-A195 HydrophobicContact CE1-CB 4.37Å; F180-A195 HydrophobicContact CZ-CB 3.92Å; L190-A195 HydrophobicContact CB-CB 4.05Å; L190-A195 HydrophobicContact CD2-CB 4.24Å; L190-A195 WeakPolarHBondContact O-CB 3.47Å; L190-A195 PolarHBondContact O-N 3.4Å; A195-H198 WeakPolarHBondContact O-CB 3.29Å; A195-H198 PolarHBondContact O-N 3.18Å; A195-I199 WeakPolarHBondContact O-CG1 3.48Å; A195-I199 PolarHBondContact O-N 3.17Å; A195-I199 VanDerWaalsContact O-N 3.12Å
196	L	97.7	Very high	95.4	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-61.3	-46.7	176.8	177.4	56.8	0	0	0	111.5	I191 H198 I199 L200 L219 L222 M234 K237 V239	I191-L196 HydrophobicContact CG1-CB 4.36Å; I191-L196 HydrophobicContact CG1-CD2 4.49Å; L196-H198 PolarHBondContact O-N 2.85Å; L196-I199 PolarHBondContact O-N 3.24Å; L196-I199 VanDerWaalsContact O-N 3.11Å; L196-L200 HydrophobicContact CD1-CD1 4.34Å; L196-L200 HydrophobicContact CD1-CD2 4.41Å; L196-L200 HydrophobicContact CD1-CG 4.16Å; L196-L200 HydrophobicContact CG-CD1 4.31Å; L196-L200 WeakPolarHBondContact O-CG 3.45Å; L196-L200 PolarHBondContact O-N 3.2Å; L196-L219 HydrophobicContact CD1-CD2 3.75Å; L196-L222 HydrophobicContact CD1-CD2 3.93Å; L196-L222 HydrophobicContact CD2-CD2 4.4Å; L196-M234 HydrophobicContact CD2-CG 4.15Å; L196-K237 HydrophobicContact CD2-CB 4.14Å; L196-K237 HydrophobicContact CD2-CG 4.07Å; L196-V239 HydrophobicContact CD1-CG2 3.91Å; L196-V239 HydrophobicContact CD2-CG2 4.13Å; L196-V239 HydrophobicContact CG-CG2 4.48Å
197	D	97.3	Very high	94.9	Very high	65 Å²	65	32.4 Å²	32.4	35%	0.348	19%	0.186	S	C	.	.	H	α-helix	trans	-57	-39	176.7	-64.6	-77.9	0	0	0	112.2	L200 A201 K237	D197-L200 PolarHBondContact O-N 3.48Å; D197-A201 WeakPolarHBondContact O-CB 3.17Å; D197-A201 PolarHBondContact O-N 3.44Å; D197-K237 WeakPolarHBondContact OD1-CE 3.36Å; D197-K237 IonicContact OD1-NZ 2.93Å; D197-K237 PolarHBondContact OD1-NZ 3.47Å; D197-K237 IonicContact OD2-NZ 3.69Å; D197-K237 PolarHBondContact OD2-NZ 2.92Å
198	H	97.7	Very high	94.7	Very high	15 Å²	15	34.5 Å²	34.5	7%	0.069	20%	0.201	C	C	.	.	H	α-helix	trans	-65.2	-41.2	176.7	-171.5	84.7	0	0	0	112.5	C160 S172 F176 G194 A195 L196 A201 A202	C160-H198 PolarHBondContact O-CE1 2.99Å; C160-H198 PolarHBondContact O-NE2 3.05Å; S172-H198 PolarHBondContact OG-NE2 2.94Å; F176-H198 AromaticContact CD2-CD2 3.91Å; F176-H198 HydrophobicContact CE2-CB 4.03Å; F176-H198 AromaticContact CE2-CD2 3.49Å; F176-H198 VanDerWaalsContact CE2-CD2 3.49Å; F176-H198 WeakPolarHBondContact CE2-CD2 3.48Å; F176-H198 AromaticContact CE2-CG 3.91Å; G194-H198 PolarHBondContact O-N 2.82Å; A195-H198 WeakPolarHBondContact O-CB 3.29Å; A195-H198 PolarHBondContact O-N 3.18Å; L196-H198 PolarHBondContact O-N 2.85Å; H198-A201 PolarHBondContact O-N 3.43Å; H198-A202 WeakPolarHBondContact O-CB 3.41Å; H198-A202 PolarHBondContact O-N 3.16Å
199	I	97.6	Very high	94.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.7	-45.6	175.2	-63.2	-66.7	0	0	0	111	V173 F176 F180 A195 L196 A201 A202 C203 A215 A218 L219	V173-I199 HydrophobicContact CB-CD1 4.14Å; V173-I199 HydrophobicContact CG1-CD1 3.7Å; V173-I199 HydrophobicContact CG2-CD1 4.16Å; F176-I199 HydrophobicContact CB-CD1 3.88Å; F176-I199 HydrophobicContact CB-CG1 4.42Å; F176-I199 HydrophobicContact CD2-CD1 4.12Å; F176-I199 HydrophobicContact CG-CD1 4.44Å; F180-I199 HydrophobicContact CE2-CG1 4.13Å; A195-I199 WeakPolarHBondContact O-CG1 3.48Å; A195-I199 PolarHBondContact O-N 3.17Å; A195-I199 VanDerWaalsContact O-N 3.12Å; L196-I199 PolarHBondContact O-N 3.24Å; L196-I199 VanDerWaalsContact O-N 3.11Å; I199-A201 PolarHBondContact O-N 3.04Å; I199-A202 VanDerWaalsContact O-CB 3.31Å; I199-A202 WeakPolarHBondContact O-CB 3.39Å; I199-A202 PolarHBondContact O-N 3.07Å; I199-A202 VanDerWaalsContact O-N 3.12Å; I199-C203 PolarHBondContact O-N 3.34Å; I199-C203 PolarHBondContact O-SG 3.28Å; I199-C203 VanDerWaalsContact O-SG 3.38Å; I199-A215 HydrophobicContact CG2-CB 4.07Å; I199-A218 HydrophobicContact CD1-CB 4.08Å; I199-L219 HydrophobicContact CG2-CD2 4.18Å; I199-L219 HydrophobicContact CG2-CG 4.15Å
200	L	96.3	Very high	94.4	Very high	11 Å²	11	41.7 Å²	41.7	6%	0.058	23%	0.226	C	C	.	.	H	α-helix	trans	-65.4	-40.6	179.8	-61	-177	0	0	0	111.5	L196 D197 A202 C203 K204 L219 K237 V239 W242	L196-L200 HydrophobicContact CD1-CD1 4.34Å; L196-L200 HydrophobicContact CD1-CD2 4.41Å; L196-L200 HydrophobicContact CD1-CG 4.16Å; L196-L200 HydrophobicContact CG-CD1 4.31Å; L196-L200 WeakPolarHBondContact O-CG 3.45Å; L196-L200 PolarHBondContact O-N 3.2Å; D197-L200 PolarHBondContact O-N 3.48Å; L200-A202 VanDerWaalsContact C-N 3.29Å; L200-A202 PolarHBondContact O-N 2.89Å; L200-C203 WeakPolarHBondContact O-CB 3.14Å; L200-C203 PolarHBondContact O-N 2.85Å; L200-K204 PolarHBondContact O-N 2.98Å; L200-L219 HydrophobicContact CD2-CD2 4.48Å; L200-K237 HydrophobicContact CD1-CB 3.96Å; L200-V239 HydrophobicContact CD1-CG2 4.32Å; L200-V239 HydrophobicContact CD2-CG2 4.34Å; L200-W242 HydrophobicContact CD2-CB 3.84Å; L200-W242 HydrophobicContact CD2-CD2 4.46Å; L200-W242 HydrophobicContact CD2-CG 3.74Å
201	A	94.3	Very high	94.3	Very high	55 Å²	55	41.9 Å²	41.9	46%	0.455	23%	0.227	S	C	.	.	H	α-helix	trans	-61.5	-37.6	171.9	0	0	0	0	0	112	D197 H198 I199 K204 A205	D197-A201 WeakPolarHBondContact O-CB 3.17Å; D197-A201 PolarHBondContact O-N 3.44Å; H198-A201 PolarHBondContact O-N 3.43Å; I199-A201 PolarHBondContact O-N 3.04Å; A201-K204 WeakPolarHBondContact O-CB 3.38Å; A201-K204 PolarHBondContact O-N 3.02Å; A201-A205 VanDerWaalsContact O-CB 3.3Å; A201-A205 WeakPolarHBondContact O-CB 3.2Å; A201-A205 PolarHBondContact O-N 3.43Å
202	A	95.1	Very high	94.2	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.008	22%	0.224	C	C	.	.	H	α-helix	trans	-63.2	-42.5	175.4	0	0	0	0	0	112.2	L169 V173 H198 I199 L200 K204 A205 T206 T211	L169-A202 HydrophobicContact CD1-CB 3.71Å; L169-A202 HydrophobicContact CD2-CB 4.17Å; L169-A202 HydrophobicContact CG-CB 4.13Å; V173-A202 HydrophobicContact CG2-CB 3.59Å; H198-A202 WeakPolarHBondContact O-CB 3.41Å; H198-A202 PolarHBondContact O-N 3.16Å; I199-A202 VanDerWaalsContact O-CB 3.31Å; I199-A202 WeakPolarHBondContact O-CB 3.39Å; I199-A202 PolarHBondContact O-N 3.07Å; I199-A202 VanDerWaalsContact O-N 3.12Å; L200-A202 VanDerWaalsContact C-N 3.29Å; L200-A202 PolarHBondContact O-N 2.89Å; A202-K204 PolarHBondContact O-N 3.33Å; A202-A205 PolarHBondContact O-N 3.48Å; A202-T206 PolarHBondContact O-N 3.44Å; A202-T211 HydrophobicContact CB-CG2 4.45Å
203	C	93.4	Very high	94.2	Very high	2 Å²	2	38 Å²	38	1%	0.014	21%	0.207	C	C	.	.	H	α-helix	trans	-58.4	-33.2	175.2	-66	0	0	0	0	112.4	I199 L200 W242 L245	I199-C203 PolarHBondContact O-N 3.34Å; I199-C203 PolarHBondContact O-SG 3.28Å; I199-C203 VanDerWaalsContact O-SG 3.38Å; L200-C203 WeakPolarHBondContact O-CB 3.14Å; L200-C203 PolarHBondContact O-N 2.85Å; C203-W242 HydrophobicContact CB-CE3 4.24Å; C203-L245 HydrophobicContact CB-CD2 4.44Å
204	K	91	Very high	94.2	Very high	51 Å²	51	39.1 Å²	39.1	22%	0.222	21%	0.21	C	C	.	.	H	α-helix	trans	-79	-36.7	177.6	-172.2	-178.1	-178.5	179.1	0	113.5	L200 A201 A202 W242 Q671 E672	L200-K204 PolarHBondContact O-N 2.98Å; A201-K204 WeakPolarHBondContact O-CB 3.38Å; A201-K204 PolarHBondContact O-N 3.02Å; A202-K204 PolarHBondContact O-N 3.33Å; K204-W242 HydrophobicContact CB-CH2 3.95Å; K204-W242 HydrophobicContact CB-CZ3 4.02Å; K204-W242 HydrophobicContact CD-CH2 4.22Å; K204-W242 HydrophobicContact CG-CH2 4.23Å; K204-Q671 PolarHBondContact O-NE2 3.15Å; K204-E672 IonicContact NZ-OE1 3.07Å; K204-E672 PolarHBondContact NZ-OE1 2.92Å
205	A	89.3	Confident	94.2	Very high	68 Å²	68	38.8 Å²	38.8	56%	0.562	21%	0.206	S	C	*	.	H	α-helix	trans	-83	-15.9	-168.6	0	0	0	0	0	114.7	L169 A201 A202	L169-A205 HydrophobicContact CD2-CB 4.45Å; A201-A205 VanDerWaalsContact O-CB 3.3Å; A201-A205 WeakPolarHBondContact O-CB 3.2Å; A201-A205 PolarHBondContact O-N 3.43Å; A202-A205 PolarHBondContact O-N 3.48Å
206	T	88.5	Confident	94.2	Very high	38 Å²	38	38.8 Å²	38.8	23%	0.233	21%	0.206	C	C	.	.			trans	-144.4	160.1	-176	-166.7	0	0	0	0	112.4	L169 A202 C208 T211 F212	L169-T206 HydrophobicContact CD2-CG2 4.14Å; A202-T206 PolarHBondContact O-N 3.44Å; T206-C208 HydrophobicContact CG2-CB 4.15Å; T206-C208 VanDerWaalsContact OG1-CB 3.28Å; T206-C208 WeakPolarHBondContact OG1-CB 3.44Å; T206-C208 PolarHBondContact OG1-N 3.06Å; T206-C208 VanDerWaalsContact OG1-N 3.1Å; T206-T211 HydrophobicContact CG2-CG2 3.74Å; T206-F212 HydrophobicContact CG2-CE1 4.4Å; T206-F212 WeakPolarHBondContact O-CE1 3.36Å; T206-F212 WeakPolarHBondContact O-CZ 3.46Å
207	T	85	Confident	94	Very high	95 Å²	95	38.8 Å²	38.8	58%	0.583	21%	0.206	S	C	*	.			trans	-112.9	13.2	166.7	56.5	0	0	0	0	111.3	R209 Q557	T207-R209 PolarHBondContact O-N 3.5Å; T207-R209 VanDerWaalsContact O-N 3.15Å; T207-Q557 HydrophobicContact CG2-CG 3.7Å
208	C	91.4	Very high	94.1	Very high	45 Å²	45	35.7 Å²	35.7	30%	0.304	19%	0.19	S	C	.	.			trans	-63.2	115.5	-179	177.8	0	0	0	0	111.2	T206 K210 T211 F212	T206-C208 HydrophobicContact CG2-CB 4.15Å; T206-C208 VanDerWaalsContact OG1-CB 3.28Å; T206-C208 WeakPolarHBondContact OG1-CB 3.44Å; T206-C208 PolarHBondContact OG1-N 3.06Å; T206-C208 VanDerWaalsContact OG1-N 3.1Å; C208-K210 VanDerWaalsContact C-N 3.26Å; C208-K210 PolarHBondContact O-N 3.37Å; C208-K210 VanDerWaalsContact O-N 3.13Å; C208-T211 PolarHBondContact O-N 3.3Å; C208-F212 PolarHBondContact O-N 2.75Å
209	R	92.6	Very high	94.1	Very high	149 Å²	149	35 Å²	35	56%	0.562	19%	0.187	S	C	*	.	H	α-helix	trans	-43.8	-48	177.7	-178.1	-176.6	-178.3	-172.5	10.4	113.5	T207 F212 R213 D251	T207-R209 PolarHBondContact O-N 3.5Å; T207-R209 VanDerWaalsContact O-N 3.15Å; R209-F212 PolarHBondContact O-N 3.18Å; R209-R213 WeakPolarHBondContact O-CG 3.44Å; R209-R213 PolarHBondContact O-N 3.27Å; R209-D251 HydrophobicContact CG-CB 3.99Å; R209-D251 IonicContact CZ-OD1 2.72Å; R209-D251 IonicContact NE-OD1 3.99Å; R209-D251 PolarHBondContact NE-OD1 2.97Å; R209-D251 IonicContact NH2-OD1 3.24Å; R209-D251 PolarHBondContact NH2-OD1 3.15Å
210	K	93	Very high	94	Very high	121 Å²	121	35 Å²	35	53%	0.526	19%	0.187	S	C	.	.	H	α-helix	trans	-66.9	-42.7	-177.9	-67.7	-176.2	-179.8	176.2	0	112	R170 C208 F212 R213 Y214	R170-K210 HydrophobicContact CG-CB 4.44Å; C208-K210 VanDerWaalsContact C-N 3.26Å; C208-K210 PolarHBondContact O-N 3.37Å; C208-K210 VanDerWaalsContact O-N 3.13Å; K210-F212 VanDerWaalsContact C-N 3.29Å; K210-F212 PolarHBondContact O-N 3.37Å; K210-R213 PolarHBondContact O-N 3.4Å; K210-Y214 HydrophobicContact CB-CE2 4.47Å; K210-Y214 WeakPolarHBondContact O-CD2 3.31Å; K210-Y214 PolarHBondContact O-N 2.79Å; K210-Y214 VanDerWaalsContact O-N 3.16Å
211	T	95.3	Very high	94	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.018	18%	0.184	C	C	.	.	H	α-helix	trans	-62.7	-40.5	177.6	-53.2	0	0	0	0	110.6	L169 V173 A202 T206 C208 Y214 A215	L169-T211 HydrophobicContact CD2-CG2 4.46Å; L169-T211 HydrophobicContact CG-CG2 4.39Å; V173-T211 HydrophobicContact CB-CG2 4.41Å; V173-T211 HydrophobicContact CG1-CG2 4.44Å; V173-T211 HydrophobicContact CG2-CG2 4.06Å; A202-T211 HydrophobicContact CB-CG2 4.45Å; T206-T211 HydrophobicContact CG2-CG2 3.74Å; C208-T211 PolarHBondContact O-N 3.3Å; T211-Y214 PolarHBondContact O-N 2.95Å; T211-A215 WeakPolarHBondContact O-CB 3.26Å; T211-A215 PolarHBondContact O-N 3.13Å
212	F	95.6	Very high	94.2	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.009	16%	0.162	C	C	.	.	H	α-helix	trans	-63.5	-42.9	176.1	-85.4	19	0	0	0	113.2	T206 C208 R209 K210 Y214 A215 S216 L246 T254 Q557	T206-F212 HydrophobicContact CG2-CE1 4.4Å; T206-F212 WeakPolarHBondContact O-CE1 3.36Å; T206-F212 WeakPolarHBondContact O-CZ 3.46Å; C208-F212 PolarHBondContact O-N 2.75Å; R209-F212 PolarHBondContact O-N 3.18Å; K210-F212 VanDerWaalsContact C-N 3.29Å; K210-F212 PolarHBondContact O-N 3.37Å; F212-Y214 VanDerWaalsContact C-N 3.34Å; F212-Y214 PolarHBondContact O-N 3.21Å; F212-A215 PolarHBondContact O-N 2.74Å; F212-S216 WeakPolarHBondContact O-CB 3.22Å; F212-S216 PolarHBondContact O-N 2.93Å; F212-S216 PolarHBondContact O-OG 3.19Å; F212-L246 HydrophobicContact CB-CD2 4.14Å; F212-L246 HydrophobicContact CD1-CD2 4.06Å; F212-L246 HydrophobicContact CD2-CD2 3.9Å; F212-L246 HydrophobicContact CE1-CD2 4.4Å; F212-L246 HydrophobicContact CE2-CD2 4.26Å; F212-L246 HydrophobicContact CG-CD2 3.78Å; F212-T254 HydrophobicContact CB-CG2 3.87Å; F212-T254 HydrophobicContact CD2-CG2 4.46Å; F212-Q557 VanDerWaalsContact CZ-NE2 3.31Å
213	R	95.5	Very high	94.2	Very high	52 Å²	52	31.9 Å²	31.9	20%	0.196	16%	0.162	C	C	.	.	H	α-helix	trans	-55.8	-47.8	172.7	-73.4	-178.8	175.9	-154.4	-10.2	112.3	R209 K210 S216 L217 D251 V253 T254	R209-R213 WeakPolarHBondContact O-CG 3.44Å; R209-R213 PolarHBondContact O-N 3.27Å; K210-R213 PolarHBondContact O-N 3.4Å; R213-S216 PolarHBondContact O-OG 3.19Å; R213-L217 WeakPolarHBondContact O-CB 3.46Å; R213-L217 PolarHBondContact O-N 3.47Å; R213-L217 VanDerWaalsContact O-N 3.07Å; R213-D251 WeakPolarHBondContact CG-OD2 3.36Å; R213-D251 IonicContact CZ-OD1 3.05Å; R213-D251 IonicContact CZ-OD2 3.16Å; R213-D251 IonicContact NE-OD1 2.74Å; R213-D251 PolarHBondContact NE-OD1 3.03Å; R213-D251 IonicContact NE-OD2 2.76Å; R213-D251 PolarHBondContact NE-OD2 2.94Å; R213-D251 IonicContact NH2-OD1 3.94Å; R213-D251 PolarHBondContact NH2-OD1 3.41Å; R213-D251 IonicContact NH2-OD2 2.73Å; R213-D251 PolarHBondContact NH2-OD2 3.42Å; R213-V253 HydrophobicContact CG-CB 4.26Å; R213-V253 HydrophobicContact CG-CG1 4.1Å; R213-T254 WeakPolarHBondContact CG-OG1 2.99Å; R213-T254 PolarHBondContact N-OG1 3.05Å
214	Y	96	Very high	94.3	Very high	40 Å²	40	32.7 Å²	32.7	16%	0.157	17%	0.166	C	C	.	.	H	α-helix	trans	-66.4	-40.9	178.4	-65.7	-57.8	0	0	0	111.8	R170 K210 T211 F212 L217 A218	R170-Y214 HydrophobicContact CG-CD2 4.02Å; R170-Y214 HydrophobicContact CG-CE2 3.93Å; K210-Y214 HydrophobicContact CB-CE2 4.47Å; K210-Y214 WeakPolarHBondContact O-CD2 3.31Å; K210-Y214 PolarHBondContact O-N 2.79Å; K210-Y214 VanDerWaalsContact O-N 3.16Å; T211-Y214 PolarHBondContact O-N 2.95Å; F212-Y214 VanDerWaalsContact C-N 3.34Å; F212-Y214 PolarHBondContact O-N 3.21Å; Y214-L217 PolarHBondContact O-N 3.31Å; Y214-A218 WeakPolarHBondContact O-CB 3.33Å; Y214-A218 PolarHBondContact O-N 3.06Å
215	A	97.6	Very high	94.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.4	-45.4	177.8	0	0	0	0	0	112.1	V173 I199 T211 F212 L217 A218 L219	V173-A215 HydrophobicContact CG1-CB 3.97Å; I199-A215 HydrophobicContact CG2-CB 4.07Å; T211-A215 WeakPolarHBondContact O-CB 3.26Å; T211-A215 PolarHBondContact O-N 3.13Å; F212-A215 PolarHBondContact O-N 2.74Å; A215-L217 VanDerWaalsContact C-N 3.33Å; A215-L217 PolarHBondContact O-N 3.24Å; A215-A218 WeakPolarHBondContact O-CB 3.48Å; A215-A218 PolarHBondContact O-N 3Å; A215-L219 WeakPolarHBondContact O-CG 3.1Å; A215-L219 PolarHBondContact O-N 3.33Å
216	S	97.2	Very high	94.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.8	-39.9	177.4	55.6	0	0	0	0	112.1	F212 R213 A220 T254	F212-S216 WeakPolarHBondContact O-CB 3.22Å; F212-S216 PolarHBondContact O-N 2.93Å; F212-S216 PolarHBondContact O-OG 3.19Å; R213-S216 PolarHBondContact O-OG 3.19Å; S216-A220 WeakPolarHBondContact O-CB 3.42Å; S216-A220 PolarHBondContact O-N 2.81Å; S216-T254 WeakPolarHBondContact CB-O 3.21Å
217	L	95.6	Very high	94.9	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.01	15%	0.146	C	C	.	.	H	α-helix	trans	-74.5	-35.4	177.7	179.5	52.7	0	0	0	112.3	E177 R213 Y214 A215 L219 A220 N221 Y257	E177-L217 HydrophobicContact CG-CB 3.95Å; E177-L217 HydrophobicContact CG-CD2 4.02Å; E177-L217 HydrophobicContact CG-CG 3.67Å; E177-L217 VanDerWaalsContact OE1-CD2 3.22Å; E177-L217 WeakPolarHBondContact OE1-CD2 3.45Å; E177-L217 WeakPolarHBondContact OE1-CG 3.44Å; R213-L217 WeakPolarHBondContact O-CB 3.46Å; R213-L217 PolarHBondContact O-N 3.47Å; R213-L217 VanDerWaalsContact O-N 3.07Å; Y214-L217 PolarHBondContact O-N 3.31Å; A215-L217 VanDerWaalsContact C-N 3.33Å; A215-L217 PolarHBondContact O-N 3.24Å; L217-L219 VanDerWaalsContact C-N 3.33Å; L217-L219 PolarHBondContact O-N 2.93Å; L217-A220 PolarHBondContact O-N 3.49Å; L217-N221 WeakPolarHBondContact O-CB 3.48Å; L217-N221 VanDerWaalsContact O-CG 3.31Å; L217-N221 PolarHBondContact O-N 3.02Å; L217-Y257 HydrophobicContact CB-CD1 4.42Å; L217-Y257 HydrophobicContact CB-CD2 3.91Å; L217-Y257 HydrophobicContact CB-CE2 4.2Å; L217-Y257 HydrophobicContact CB-CG 4.01Å; L217-Y257 HydrophobicContact CD1-CD1 3.69Å; L217-Y257 HydrophobicContact CD1-CE1 3.62Å; L217-Y257 HydrophobicContact CD1-CE2 4.47Å; L217-Y257 HydrophobicContact CD1-CG 4.17Å; L217-Y257 HydrophobicContact CD2-CE1 4.39Å; L217-Y257 HydrophobicContact CD2-CE2 4.04Å; L217-Y257 HydrophobicContact CG-CE1 4.46Å; L217-Y257 HydrophobicContact CG-CE2 4.49Å
218	A	97.5	Very high	95.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-58	-46.7	171	0	0	0	0	0	111.1	E177 F180 I199 Y214 A215 N221 L222	E177-A218 HydrophobicContact CB-CB 3.88Å; E177-A218 HydrophobicContact CG-CB 4.39Å; F180-A218 HydrophobicContact CD2-CB 3.88Å; F180-A218 HydrophobicContact CE2-CB 4.19Å; I199-A218 HydrophobicContact CD1-CB 4.08Å; Y214-A218 WeakPolarHBondContact O-CB 3.33Å; Y214-A218 PolarHBondContact O-N 3.06Å; A215-A218 WeakPolarHBondContact O-CB 3.48Å; A215-A218 PolarHBondContact O-N 3Å; A218-N221 PolarHBondContact O-N 3.38Å; A218-L222 VanDerWaalsContact O-CB 3.32Å; A218-L222 WeakPolarHBondContact O-CB 3.49Å; A218-L222 PolarHBondContact O-N 2.98Å
219	L	98	Very high	95.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-66.4	-38.6	176.9	-67.1	175	0	0	0	112	L196 I199 L200 A215 L217 L222 S223 V239 L243 L246 A261	L196-L219 HydrophobicContact CD1-CD2 3.75Å; I199-L219 HydrophobicContact CG2-CD2 4.18Å; I199-L219 HydrophobicContact CG2-CG 4.15Å; L200-L219 HydrophobicContact CD2-CD2 4.48Å; A215-L219 WeakPolarHBondContact O-CG 3.1Å; A215-L219 PolarHBondContact O-N 3.33Å; L217-L219 VanDerWaalsContact C-N 3.33Å; L217-L219 PolarHBondContact O-N 2.93Å; L219-L222 PolarHBondContact O-N 2.66Å; L219-S223 WeakPolarHBondContact O-CB 3.33Å; L219-S223 PolarHBondContact O-N 2.98Å; L219-S223 PolarHBondContact O-OG 3.29Å; L219-V239 HydrophobicContact CD1-CG1 4.43Å; L219-V239 HydrophobicContact CD2-CG1 4.02Å; L219-V239 HydrophobicContact CD2-CG2 4.5Å; L219-L243 HydrophobicContact CB-CD2 4.09Å; L219-L243 HydrophobicContact CD1-CD2 3.73Å; L219-L243 HydrophobicContact CD1-CG 4.29Å; L219-L246 HydrophobicContact CD1-CD1 3.82Å; L219-A261 HydrophobicContact CB-CB 4.38Å
220	A	96.8	Very high	95.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-63.2	-48.4	174.7	0	0	0	0	0	112	S216 L217 L222 S223 M224 L260 A261	S216-A220 WeakPolarHBondContact O-CB 3.42Å; S216-A220 PolarHBondContact O-N 2.81Å; L217-A220 PolarHBondContact O-N 3.49Å; A220-L222 VanDerWaalsContact C-N 3.33Å; A220-L222 PolarHBondContact O-N 3.41Å; A220-S223 PolarHBondContact O-N 3.41Å; A220-M224 WeakPolarHBondContact O-CE 3.33Å; A220-M224 WeakPolarHBondContact O-CG 3.26Å; A220-M224 PolarHBondContact O-N 3.45Å; A220-L260 HydrophobicContact CB-CB 4.43Å; A220-L260 HydrophobicContact CB-CD2 4.25Å; A220-L260 HydrophobicContact CB-CG 4.3Å; A220-A261 HydrophobicContact CB-CB 4.03Å
221	N	96	Very high	95.8	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-58.9	-47.1	175.5	-71.1	-20.4	0	0	0	110.2	E177 F180 L217 A218 S223 M224 Y225	E177-N221 PolarHBondContact O-ND2 3.48Å; F180-N221 HydrophobicContact CB-CB 3.94Å; L217-N221 WeakPolarHBondContact O-CB 3.48Å; L217-N221 VanDerWaalsContact O-CG 3.31Å; L217-N221 PolarHBondContact O-N 3.02Å; A218-N221 PolarHBondContact O-N 3.38Å; N221-S223 VanDerWaalsContact C-N 3.33Å; N221-S223 PolarHBondContact O-N 3.24Å; N221-M224 PolarHBondContact O-N 2.94Å; N221-Y225 WeakPolarHBondContact O-CB 3.49Å; N221-Y225 VanDerWaalsContact O-CD2 3.31Å; N221-Y225 WeakPolarHBondContact O-CD2 3.22Å; N221-Y225 PolarHBondContact O-N 3.02Å
222	L	97.3	Very high	95.8	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-59.9	-42.4	177.5	-177.5	60.1	0	0	0	111.7	F180 N187 I191 L196 A218 L219 A220 M224 S226 M234	F180-L222 HydrophobicContact CB-CB 4.3Å; F180-L222 HydrophobicContact CD1-CB 4.17Å; F180-L222 HydrophobicContact CD1-CD1 3.66Å; F180-L222 HydrophobicContact CD1-CG 4.32Å; F180-L222 HydrophobicContact CD2-CB 4.32Å; F180-L222 HydrophobicContact CE1-CD1 3.82Å; F180-L222 HydrophobicContact CE1-CD2 4.11Å; F180-L222 HydrophobicContact CE1-CG 4.39Å; F180-L222 HydrophobicContact CG-CB 4.04Å; F180-L222 HydrophobicContact CG-CD1 4.37Å; F180-L222 HydrophobicContact CZ-CD2 4.18Å; N187-L222 HydrophobicContact CB-CD1 3.76Å; I191-L222 HydrophobicContact CD1-CD1 4.17Å; I191-L222 HydrophobicContact CG1-CD1 4.43Å; I191-L222 HydrophobicContact CG1-CD2 4.47Å; L196-L222 HydrophobicContact CD1-CD2 3.93Å; L196-L222 HydrophobicContact CD2-CD2 4.4Å; A218-L222 VanDerWaalsContact O-CB 3.32Å; A218-L222 WeakPolarHBondContact O-CB 3.49Å; A218-L222 PolarHBondContact O-N 2.98Å; L219-L222 PolarHBondContact O-N 2.66Å; A220-L222 VanDerWaalsContact C-N 3.33Å; A220-L222 PolarHBondContact O-N 3.41Å; L222-M224 PolarHBondContact O-N 3.5Å; L222-S226 WeakPolarHBondContact O-CB 3.36Å; L222-S226 PolarHBondContact O-N 2.95Å; L222-S226 PolarHBondContact O-OG 3.07Å; L222-M234 HydrophobicContact CB-CE 4.26Å; L222-M234 HydrophobicContact CD2-CE 3.9Å; L222-M234 HydrophobicContact CD2-CG 4.06Å; L222-M234 HydrophobicContact CD2-SD 3.97Å; L222-M234 HydrophobicContact CG-CE 3.92Å; L222-M234 HydrophobicContact CG-CG 4.39Å; L222-M234 HydrophobicContact CG-SD 3.73Å
223	S	96.6	Very high	95.9	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.007	12%	0.121	C	C	.	.	H	α-helix	trans	-63.4	-39.6	178.1	-65.6	0	0	0	0	113.3	L219 A220 N221 Q231 M234 L265	L219-S223 WeakPolarHBondContact O-CB 3.33Å; L219-S223 PolarHBondContact O-N 2.98Å; L219-S223 PolarHBondContact O-OG 3.29Å; A220-S223 PolarHBondContact O-N 3.41Å; N221-S223 VanDerWaalsContact C-N 3.33Å; N221-S223 PolarHBondContact O-N 3.24Å; S223-Q231 PolarHBondContact O-NE2 3.41Å; S223-M234 VanDerWaalsContact OG-CE 3.26Å; S223-M234 WeakPolarHBondContact OG-CE 3.47Å; S223-L265 WeakPolarHBondContact OG-CG 3.31Å
224	M	94.4	Very high	96	Very high	19 Å²	19	23 Å²	23	9%	0.094	11%	0.112	C	C	.	.	H	α-helix	trans	-80.8	-36	-178.1	-67.2	-178.6	-61	0	0	113.3	A220 N221 L222 S226 L260 A264 W311 L314 L315	A220-M224 WeakPolarHBondContact O-CE 3.33Å; A220-M224 WeakPolarHBondContact O-CG 3.26Å; A220-M224 PolarHBondContact O-N 3.45Å; N221-M224 PolarHBondContact O-N 2.94Å; L222-M224 PolarHBondContact O-N 3.5Å; M224-S226 VanDerWaalsContact C-N 3.29Å; M224-S226 PolarHBondContact O-N 2.82Å; M224-L260 HydrophobicContact CE-CD2 4.23Å; M224-L260 HydrophobicContact SD-CD1 4.43Å; M224-L260 HydrophobicContact SD-CD2 4.22Å; M224-L260 HydrophobicContact SD-CG 4.39Å; M224-A264 HydrophobicContact CG-CB 3.88Å; M224-W311 HydrophobicContact CE-CZ2 3.57Å; M224-W311 HydrophobicContact SD-CZ2 4.07Å; M224-L314 HydrophobicContact CB-CB 4.44Å; M224-L314 HydrophobicContact CB-CD1 4.27Å; M224-L315 HydrophobicContact SD-CD2 4.18Å
225	Y	94.8	Very high	96	Very high	30 Å²	30	22.7 Å²	22.7	12%	0.118	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	29.2	-179.5	-70.6	-96.8	0	0	0	112.1	F180 K181 V184 N187 N221 W311 L314	F180-Y225 WeakPolarHBondContact O-CB 3.37Å; K181-Y225 HydrophobicContact CB-CE2 4.39Å; K181-Y225 HydrophobicContact CG-CD2 4.45Å; K181-Y225 HydrophobicContact CG-CE1 4.46Å; K181-Y225 HydrophobicContact CG-CE2 3.63Å; V184-Y225 WeakPolarHBondContact CA-O 3.19Å; N187-Y225 VanDerWaalsContact ND2-CB 3.28Å; N187-Y225 WeakPolarHBondContact ND2-CB 3.44Å; N187-Y225 PolarHBondContact ND2-O 3.25Å; N221-Y225 WeakPolarHBondContact O-CB 3.49Å; N221-Y225 VanDerWaalsContact O-CD2 3.31Å; N221-Y225 WeakPolarHBondContact O-CD2 3.22Å; N221-Y225 PolarHBondContact O-N 3.02Å; Y225-W311 AromaticContact CE2-CD1 4Å; Y225-L314 HydrophobicContact CD1-CD1 3.93Å; Y225-L314 HydrophobicContact CD2-CD1 3.76Å; Y225-L314 HydrophobicContact CE1-CD1 3.56Å; Y225-L314 HydrophobicContact CE2-CD1 3.38Å; Y225-L314 HydrophobicContact CG-CD1 4.02Å
226	S	93.8	Very high	95.9	Very high	13 Å²	13	26.4 Å²	26.4	9%	0.091	14%	0.144	C	C	.	.			trans	-124.6	147.5	179.2	-76.3	0	0	0	0	111.6	L222 M224 C230	L222-S226 WeakPolarHBondContact O-CB 3.36Å; L222-S226 PolarHBondContact O-N 2.95Å; L222-S226 PolarHBondContact O-OG 3.07Å; M224-S226 VanDerWaalsContact C-N 3.29Å; M224-S226 PolarHBondContact O-N 2.82Å; S226-C230 WeakPolarHBondContact OG-CB 3.42Å
227	D	93.8	Very high	95.8	Very high	71 Å²	71	30.3 Å²	30.3	38%	0.38	16%	0.161	S	C	.	.			trans	-84.3	-176.4	166.1	65.3	0.4	0	0	0	111.6	V184 E229 C230 Q231	V184-D227 HydrophobicContact CG1-CB 3.76Å; V184-D227 VanDerWaalsContact CG1-CG 3.47Å; D227-E229 VanDerWaalsContact C-N 3.31Å; D227-E229 PolarHBondContact O-N 3.05Å; D227-E229 PolarHBondContact OD1-N 3.43Å; D227-C230 PolarHBondContact O-N 3.01Å; D227-C230 WeakPolarHBondContact OD1-CB 3.41Å; D227-C230 PolarHBondContact OD1-N 3.26Å; D227-C230 PolarHBondContact OD1-SG 3.18Å; D227-Q231 WeakPolarHBondContact O-CB 3.31Å; D227-Q231 VanDerWaalsContact O-CG 3.28Å; D227-Q231 WeakPolarHBondContact O-CG 3.45Å; D227-Q231 PolarHBondContact O-N 3.08Å
228	S	93.4	Very high	95.8	Very high	32 Å²	32	33.4 Å²	33.4	22%	0.224	18%	0.177	C	C	.	.	H	α-helix	trans	-61.6	-37.7	-178.8	-154.5	0	0	0	0	112.8	Q231 Q232 N268 E270	S228-Q231 PolarHBondContact O-N 3.42Å; S228-Q232 WeakPolarHBondContact O-CB 3.44Å; S228-Q232 VanDerWaalsContact O-CG 3.29Å; S228-Q232 WeakPolarHBondContact O-CG 3.34Å; S228-Q232 PolarHBondContact O-N 2.94Å; S228-N268 PolarHBondContact OG-ND2 3.17Å; S228-E270 VanDerWaalsContact OG-CD 3.23Å; S228-E270 PolarHBondContact OG-OE2 3.12Å
229	E	94.5	Very high	95.8	Very high	106 Å²	106	33.4 Å²	33.4	50%	0.495	18%	0.177	S	C	.	.	H	α-helix	trans	-65.2	-46.8	-180	-168.5	-166.4	140.6	0	0	111.2	D227 Q231 Q232 K233	D227-E229 VanDerWaalsContact C-N 3.31Å; D227-E229 PolarHBondContact O-N 3.05Å; D227-E229 PolarHBondContact OD1-N 3.43Å; E229-Q231 VanDerWaalsContact C-N 3.33Å; E229-Q231 PolarHBondContact O-N 3.41Å; E229-Q232 WeakPolarHBondContact O-CB 3.45Å; E229-Q232 PolarHBondContact O-N 3.23Å; E229-K233 PolarHBondContact O-N 3.15Å; E229-K233 VanDerWaalsContact OE1-CE 3.24Å; E229-K233 WeakPolarHBondContact OE1-CE 3.45Å; E229-K233 IonicContact OE1-NZ 3.38Å; E229-K233 PolarHBondContact OE1-NZ 2.76Å
230	C	95.7	Very high	95.7	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.007	18%	0.178	C	C	.	.	H	α-helix	trans	-62.2	-41.4	176	-70.2	0	0	0	0	111.5	I191 S226 D227 Q232 K233 M234	I191-C230 HydrophobicContact CD1-CB 4.17Å; S226-C230 WeakPolarHBondContact OG-CB 3.42Å; D227-C230 PolarHBondContact O-N 3.01Å; D227-C230 WeakPolarHBondContact OD1-CB 3.41Å; D227-C230 PolarHBondContact OD1-N 3.26Å; D227-C230 PolarHBondContact OD1-SG 3.18Å; C230-Q232 PolarHBondContact O-N 3.07Å; C230-K233 WeakPolarHBondContact O-CB 3.49Å; C230-K233 PolarHBondContact O-N 3.34Å; C230-M234 WeakPolarHBondContact O-CG 3.2Å; C230-M234 PolarHBondContact O-N 3.44Å
231	Q	96.4	Very high	95.5	Very high	15 Å²	15	34.5 Å²	34.5	7%	0.07	18%	0.183	C	C	.	.	H	α-helix	trans	-64.7	-38.3	175.6	-70.2	176.9	-3.3	0	0	112.1	S223 D227 S228 E229 K233 M234 I235 L265 N268 V271	S223-Q231 PolarHBondContact O-NE2 3.41Å; D227-Q231 WeakPolarHBondContact O-CB 3.31Å; D227-Q231 VanDerWaalsContact O-CG 3.28Å; D227-Q231 WeakPolarHBondContact O-CG 3.45Å; D227-Q231 PolarHBondContact O-N 3.08Å; S228-Q231 PolarHBondContact O-N 3.42Å; E229-Q231 VanDerWaalsContact C-N 3.33Å; E229-Q231 PolarHBondContact O-N 3.41Å; Q231-K233 VanDerWaalsContact C-N 3.32Å; Q231-K233 PolarHBondContact O-N 3.32Å; Q231-M234 WeakPolarHBondContact O-CA 3.21Å; Q231-M234 VanDerWaalsContact O-CB 3.3Å; Q231-M234 WeakPolarHBondContact O-CB 3.49Å; Q231-M234 PolarHBondContact O-N 3.42Å; Q231-M234 VanDerWaalsContact O-N 3.09Å; Q231-I235 WeakPolarHBondContact O-CG1 3.44Å; Q231-I235 PolarHBondContact O-N 2.97Å; Q231-L265 HydrophobicContact CB-CD2 4.24Å; Q231-L265 HydrophobicContact CG-CD2 3.96Å; Q231-N268 PolarHBondContact OE1-ND2 3.44Å; Q231-V271 HydrophobicContact CB-CG1 4.41Å
232	Q	95.9	Very high	95.5	Very high	98 Å²	98	35.4 Å²	35.4	46%	0.458	19%	0.186	S	C	.	.	H	α-helix	trans	-61.5	-38.9	172.2	-73.8	176.5	8.4	0	0	111.8	S228 E229 C230 M234 I235 A236 E270 V271	S228-Q232 WeakPolarHBondContact O-CB 3.44Å; S228-Q232 VanDerWaalsContact O-CG 3.29Å; S228-Q232 WeakPolarHBondContact O-CG 3.34Å; S228-Q232 PolarHBondContact O-N 2.94Å; E229-Q232 WeakPolarHBondContact O-CB 3.45Å; E229-Q232 PolarHBondContact O-N 3.23Å; C230-Q232 PolarHBondContact O-N 3.07Å; Q232-M234 VanDerWaalsContact C-N 3.3Å; Q232-M234 PolarHBondContact O-N 3.01Å; Q232-I235 PolarHBondContact O-N 3.03Å; Q232-A236 PolarHBondContact O-N 3.38Å; Q232-E270 PolarHBondContact NE2-OE2 3.3Å; Q232-V271 HydrophobicContact CG-CG1 4.32Å
233	K	96.1	Very high	95.5	Very high	53 Å²	53	35.4 Å²	35.4	23%	0.23	19%	0.186	C	C	.	.	H	α-helix	trans	-62.4	-36.8	172.2	-67.3	172.6	-173.9	164.9	0	111.7	I191 E229 C230 Q231 A236 K237	I191-K233 HydrophobicContact CD1-CB 4.41Å; I191-K233 HydrophobicContact CG2-CB 4.12Å; I191-K233 HydrophobicContact CG2-CD 4.08Å; E229-K233 PolarHBondContact O-N 3.15Å; E229-K233 VanDerWaalsContact OE1-CE 3.24Å; E229-K233 WeakPolarHBondContact OE1-CE 3.45Å; E229-K233 IonicContact OE1-NZ 3.38Å; E229-K233 PolarHBondContact OE1-NZ 2.76Å; C230-K233 WeakPolarHBondContact O-CB 3.49Å; C230-K233 PolarHBondContact O-N 3.34Å; Q231-K233 VanDerWaalsContact C-N 3.32Å; Q231-K233 PolarHBondContact O-N 3.32Å; K233-A236 PolarHBondContact O-N 3.22Å; K233-K237 WeakPolarHBondContact O-CG 3.41Å; K233-K237 PolarHBondContact O-N 3.15Å
234	M	97.5	Very high	95.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-64.4	-41.6	172.5	-62.5	173.8	74.5	0	0	112	L196 L222 S223 C230 Q231 Q232 K237 N238 V239 L265	L196-M234 HydrophobicContact CD2-CG 4.15Å; L222-M234 HydrophobicContact CB-CE 4.26Å; L222-M234 HydrophobicContact CD2-CE 3.9Å; L222-M234 HydrophobicContact CD2-CG 4.06Å; L222-M234 HydrophobicContact CD2-SD 3.97Å; L222-M234 HydrophobicContact CG-CE 3.92Å; L222-M234 HydrophobicContact CG-CG 4.39Å; L222-M234 HydrophobicContact CG-SD 3.73Å; S223-M234 VanDerWaalsContact OG-CE 3.26Å; S223-M234 WeakPolarHBondContact OG-CE 3.47Å; C230-M234 WeakPolarHBondContact O-CG 3.2Å; C230-M234 PolarHBondContact O-N 3.44Å; Q231-M234 WeakPolarHBondContact O-CA 3.21Å; Q231-M234 VanDerWaalsContact O-CB 3.3Å; Q231-M234 WeakPolarHBondContact O-CB 3.49Å; Q231-M234 PolarHBondContact O-N 3.42Å; Q231-M234 VanDerWaalsContact O-N 3.09Å; Q232-M234 VanDerWaalsContact C-N 3.3Å; Q232-M234 PolarHBondContact O-N 3.01Å; M234-K237 CarbonylContact O-C 3.55Å; M234-K237 PolarHBondContact O-N 2.95Å; M234-N238 PolarHBondContact O-N 3.32Å; M234-V239 HydrophobicContact CB-CB 4.12Å; M234-V239 HydrophobicContact CB-CG2 3.83Å; M234-V239 HydrophobicContact CE-CB 4.5Å; M234-V239 HydrophobicContact CE-CG1 3.88Å; M234-V239 HydrophobicContact CE-CG2 4.45Å; M234-V239 HydrophobicContact CG-CG2 4.43Å; M234-V239 WeakPolarHBondContact O-CB 3.15Å; M234-V239 VanDerWaalsContact O-CG2 3.25Å; M234-V239 WeakPolarHBondContact O-CG2 3.46Å; M234-V239 PolarHBondContact O-N 3.41Å; M234-V239 VanDerWaalsContact O-N 3.1Å; M234-L265 HydrophobicContact CE-CD1 4.44Å; M234-L265 HydrophobicContact CE-CD2 4.14Å; M234-L265 HydrophobicContact SD-CD2 4.01Å
235	I	96.6	Very high	95.4	Very high	34 Å²	34	34.7 Å²	34.7	17%	0.174	18%	0.183	C	C	.	.	H	α-helix	trans	-64	-43.1	175.1	-62.1	-51.1	0	0	0	111.3	Q231 Q232 K237 N238 P240 V271 A274 V275	Q231-I235 WeakPolarHBondContact O-CG1 3.44Å; Q231-I235 PolarHBondContact O-N 2.97Å; Q232-I235 PolarHBondContact O-N 3.03Å; I235-K237 PolarHBondContact O-N 3.33Å; I235-K237 VanDerWaalsContact O-N 3.12Å; I235-N238 WeakPolarHBondContact O-CA 3.11Å; I235-N238 PolarHBondContact O-N 3.11Å; I235-P240 HydrophobicContact CD1-CG 3.46Å; I235-P240 VanDerWaalsContact CD1-CG 3.46Å; I235-V271 HydrophobicContact CD1-CB 4.01Å; I235-V271 HydrophobicContact CD1-CG1 4.38Å; I235-V271 HydrophobicContact CG1-CB 3.7Å; I235-V271 HydrophobicContact CG1-CG1 3.55Å; I235-A274 HydrophobicContact CD1-CB 4.06Å; I235-A274 HydrophobicContact CG1-CB 4.36Å; I235-A274 HydrophobicContact CG2-CB 3.51Å; I235-V275 HydrophobicContact CD1-CG2 4.25Å
236	A	95.7	Very high	95.4	Very high	79 Å²	79	33.3 Å²	33.3	65%	0.653	18%	0.177	S	C	*	.	H	α-helix	trans	-60.5	-22.8	176.7	0	0	0	0	0	113.1	Q232 K233	Q232-A236 PolarHBondContact O-N 3.38Å; K233-A236 PolarHBondContact O-N 3.22Å
237	K	95.5	Very high	95.4	Very high	82 Å²	82	32.8 Å²	32.8	36%	0.357	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	8.9	174.7	-62.9	-72.5	-175	165.9	0	113.3	L196 D197 L200 K233 M234 I235 V239	L196-K237 HydrophobicContact CD2-CB 4.14Å; L196-K237 HydrophobicContact CD2-CG 4.07Å; D197-K237 WeakPolarHBondContact OD1-CE 3.36Å; D197-K237 IonicContact OD1-NZ 2.93Å; D197-K237 PolarHBondContact OD1-NZ 3.47Å; D197-K237 IonicContact OD2-NZ 3.69Å; D197-K237 PolarHBondContact OD2-NZ 2.92Å; L200-K237 HydrophobicContact CD1-CB 3.96Å; K233-K237 WeakPolarHBondContact O-CG 3.41Å; K233-K237 PolarHBondContact O-N 3.15Å; M234-K237 CarbonylContact O-C 3.55Å; M234-K237 PolarHBondContact O-N 2.95Å; I235-K237 PolarHBondContact O-N 3.33Å; I235-K237 VanDerWaalsContact O-N 3.12Å; K237-V239 VanDerWaalsContact C-N 3.27Å; K237-V239 PolarHBondContact O-N 3.41Å
238	N	95.3	Very high	95.3	Very high	67 Å²	67	30.1 Å²	30.1	36%	0.358	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	35.8	179.6	-56.5	-63.8	0	0	0	113.8	M234 I235 P240 D241 W242 L568	M234-N238 PolarHBondContact O-N 3.32Å; I235-N238 WeakPolarHBondContact O-CA 3.11Å; I235-N238 PolarHBondContact O-N 3.11Å; N238-P240 VanDerWaalsContact C-CD 3.43Å; N238-P240 VanDerWaalsContact C-N 3.32Å; N238-D241 HydrophobicContact CB-CB 4.47Å; N238-D241 PolarHBondContact O-N 3.08Å; N238-D241 VanDerWaalsContact O-N 3.13Å; N238-W242 PolarHBondContact O-N 2.9Å; N238-L568 HydrophobicContact CB-CD2 3.41Å; N238-L568 VanDerWaalsContact CB-CD2 3.41Å; N238-L568 VanDerWaalsContact CG-CD2 3.46Å; N238-L568 WeakPolarHBondContact ND2-CD2 3.44Å
239	V	97.2	Very high	95.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-53.4	-41.2	177.5	172	0	0	0	0	113	L196 L200 L219 M234 K237 D241 W242 L243 L265	L196-V239 HydrophobicContact CD1-CG2 3.91Å; L196-V239 HydrophobicContact CD2-CG2 4.13Å; L196-V239 HydrophobicContact CG-CG2 4.48Å; L200-V239 HydrophobicContact CD1-CG2 4.32Å; L200-V239 HydrophobicContact CD2-CG2 4.34Å; L219-V239 HydrophobicContact CD1-CG1 4.43Å; L219-V239 HydrophobicContact CD2-CG1 4.02Å; L219-V239 HydrophobicContact CD2-CG2 4.5Å; M234-V239 HydrophobicContact CB-CB 4.12Å; M234-V239 HydrophobicContact CB-CG2 3.83Å; M234-V239 HydrophobicContact CE-CB 4.5Å; M234-V239 HydrophobicContact CE-CG1 3.88Å; M234-V239 HydrophobicContact CE-CG2 4.45Å; M234-V239 HydrophobicContact CG-CG2 4.43Å; M234-V239 WeakPolarHBondContact O-CB 3.15Å; M234-V239 VanDerWaalsContact O-CG2 3.25Å; M234-V239 WeakPolarHBondContact O-CG2 3.46Å; M234-V239 PolarHBondContact O-N 3.41Å; M234-V239 VanDerWaalsContact O-N 3.1Å; K237-V239 VanDerWaalsContact C-N 3.27Å; K237-V239 PolarHBondContact O-N 3.41Å; V239-D241 VanDerWaalsContact C-N 3.27Å; V239-D241 PolarHBondContact O-N 3.19Å; V239-W242 PolarHBondContact O-N 3.07Å; V239-W242 VanDerWaalsContact O-N 3.17Å; V239-L243 HydrophobicContact CG1-CD1 3.92Å; V239-L243 HydrophobicContact CG1-CG 4.09Å; V239-L243 WeakPolarHBondContact O-CG 3.4Å; V239-L243 PolarHBondContact O-N 2.97Å; V239-L265 HydrophobicContact CG1-CD1 4.29Å
240	P	96.7	Very high	94.8	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.013	16%	0.16	C	C	.	.	H	α-helix	trans	-55.3	-37.8	176.4	-29.8	38.4	0	0	0	114.6	I235 N238 L243 F244 I262 L265 V275 T280	I235-P240 HydrophobicContact CD1-CG 3.46Å; I235-P240 VanDerWaalsContact CD1-CG 3.46Å; N238-P240 VanDerWaalsContact C-CD 3.43Å; N238-P240 VanDerWaalsContact C-N 3.32Å; P240-L243 PolarHBondContact O-N 3.07Å; P240-F244 PolarHBondContact O-N 2.91Å; P240-I262 HydrophobicContact CB-CD1 3.84Å; P240-I262 HydrophobicContact CG-CD1 4.46Å; P240-L265 HydrophobicContact CG-CD1 4.36Å; P240-V275 HydrophobicContact CG-CG2 4.06Å; P240-T280 PolarHBondContact O-OG1 3.28Å
241	D	93.3	Very high	94.6	Very high	21 Å²	21	30.9 Å²	30.9	11%	0.112	16%	0.162	C	C	.	.	H	α-helix	trans	-70.7	-44	177.1	-55.7	-82.5	0	0	0	110.6	N238 V239 L243 F244 V564	N238-D241 HydrophobicContact CB-CB 4.47Å; N238-D241 PolarHBondContact O-N 3.08Å; N238-D241 VanDerWaalsContact O-N 3.13Å; V239-D241 VanDerWaalsContact C-N 3.27Å; V239-D241 PolarHBondContact O-N 3.19Å; D241-L243 VanDerWaalsContact C-N 3.26Å; D241-L243 PolarHBondContact O-N 2.87Å; D241-F244 WeakPolarHBondContact O-CB 3.45Å; D241-F244 PolarHBondContact O-N 3.07Å; D241-V564 HydrophobicContact CB-CG1 4.31Å; D241-V564 WeakPolarHBondContact O-CG2 3.43Å
242	W	95.8	Very high	94.4	Very high	19 Å²	19	32.2 Å²	32.2	7%	0.072	17%	0.17	C	C	.	.	H	α-helix	trans	-62.7	-31.6	174	-70.1	107.2	0	0	0	113.3	L200 C203 K204 N238 V239 F244 L245 L246 L561 V564 L565 L568	L200-W242 HydrophobicContact CD2-CB 3.84Å; L200-W242 HydrophobicContact CD2-CD2 4.46Å; L200-W242 HydrophobicContact CD2-CG 3.74Å; C203-W242 HydrophobicContact CB-CE3 4.24Å; K204-W242 HydrophobicContact CB-CH2 3.95Å; K204-W242 HydrophobicContact CB-CZ3 4.02Å; K204-W242 HydrophobicContact CD-CH2 4.22Å; K204-W242 HydrophobicContact CG-CH2 4.23Å; N238-W242 PolarHBondContact O-N 2.9Å; V239-W242 PolarHBondContact O-N 3.07Å; V239-W242 VanDerWaalsContact O-N 3.17Å; W242-F244 PolarHBondContact O-N 3.2Å; W242-L245 HydrophobicContact CE3-CD2 4.3Å; W242-L245 HydrophobicContact CZ3-CD2 4.38Å; W242-L245 VanDerWaalsContact O-CB 3.32Å; W242-L245 WeakPolarHBondContact O-CB 3.45Å; W242-L245 PolarHBondContact O-N 3.35Å; W242-L246 PolarHBondContact O-N 2.87Å; W242-L561 HydrophobicContact CZ3-CD1 4.38Å; W242-V564 HydrophobicContact CD2-CG1 3.88Å; W242-V564 HydrophobicContact CE3-CG1 3.89Å; W242-V564 HydrophobicContact CG-CG1 4.41Å; W242-V564 HydrophobicContact CH2-CG1 4.31Å; W242-V564 HydrophobicContact CZ2-CG1 4.31Å; W242-V564 HydrophobicContact CZ3-CG1 4.11Å; W242-L565 HydrophobicContact CH2-CD2 4.31Å; W242-L568 HydrophobicContact CZ2-CD1 3.69Å
243	L	97	Very high	94.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-65.5	-27.3	173.3	-74.3	171.1	0	0	0	112.2	L219 V239 P240 D241 L245 L246 A247 A258 A261 I262 L265 T280	L219-L243 HydrophobicContact CB-CD2 4.09Å; L219-L243 HydrophobicContact CD1-CD2 3.73Å; L219-L243 HydrophobicContact CD1-CG 4.29Å; V239-L243 HydrophobicContact CG1-CD1 3.92Å; V239-L243 HydrophobicContact CG1-CG 4.09Å; V239-L243 WeakPolarHBondContact O-CG 3.4Å; V239-L243 PolarHBondContact O-N 2.97Å; P240-L243 PolarHBondContact O-N 3.07Å; D241-L243 VanDerWaalsContact C-N 3.26Å; D241-L243 PolarHBondContact O-N 2.87Å; L243-L245 VanDerWaalsContact C-N 3.29Å; L243-L245 PolarHBondContact O-N 3.3Å; L243-L246 HydrophobicContact CD2-CD1 4.41Å; L243-L246 PolarHBondContact O-N 2.8Å; L243-A247 VanDerWaalsContact O-CB 3.24Å; L243-A247 WeakPolarHBondContact O-CB 3.42Å; L243-A247 PolarHBondContact O-N 3.43Å; L243-A258 HydrophobicContact CD2-CB 4.22Å; L243-A261 HydrophobicContact CD1-CB 3.79Å; L243-A261 HydrophobicContact CD2-CB 3.68Å; L243-A261 HydrophobicContact CG-CB 4.42Å; L243-I262 HydrophobicContact CB-CD1 4.48Å; L243-I262 HydrophobicContact CD1-CB 4.17Å; L243-I262 HydrophobicContact CD1-CD1 3.9Å; L243-L265 HydrophobicContact CD1-CD1 4.03Å; L243-T280 HydrophobicContact CB-CG2 4.06Å
244	F	94.2	Very high	94.2	Very high	6 Å²	6	25.1 Å²	25.1	3%	0.026	14%	0.138	C	C	.	.	H	α-helix	trans	-57.7	-43.8	172.4	-170.4	-87.2	0	0	0	111.5	P240 D241 W242 L246 A247 S248 T280 L283 K563 V564 I575 V577	P240-F244 PolarHBondContact O-N 2.91Å; D241-F244 WeakPolarHBondContact O-CB 3.45Å; D241-F244 PolarHBondContact O-N 3.07Å; W242-F244 PolarHBondContact O-N 3.2Å; F244-L246 VanDerWaalsContact C-N 3.34Å; F244-L246 PolarHBondContact O-N 3.49Å; F244-A247 PolarHBondContact O-N 2.8Å; F244-S248 WeakPolarHBondContact CE1-OG 3.48Å; F244-S248 VanDerWaalsContact O-CB 3.31Å; F244-S248 WeakPolarHBondContact O-CB 3.37Å; F244-S248 PolarHBondContact O-N 3.36Å; F244-S248 PolarHBondContact O-OG 2.73Å; F244-T280 WeakPolarHBondContact CB-OG1 3.38Å; F244-T280 PolarHBondContact N-OG1 3.47Å; F244-L283 HydrophobicContact CD2-CD1 4.02Å; F244-L283 HydrophobicContact CE2-CD1 3.93Å; F244-L283 HydrophobicContact CE2-CG 4.43Å; F244-L283 HydrophobicContact CZ-CD1 4.41Å; F244-K563 HydrophobicContact CD1-CD 3.83Å; F244-K563 HydrophobicContact CE1-CD 3.48Å; F244-K563 VanDerWaalsContact CE1-CD 3.48Å; F244-K563 HydrophobicContact CE2-CD 4.18Å; F244-K563 HydrophobicContact CG-CD 4.35Å; F244-K563 VanDerWaalsContact CG-NZ 3.28Å; F244-K563 HydrophobicContact CZ-CD 3.65Å; F244-V564 HydrophobicContact CB-CG2 4.4Å; F244-I575 HydrophobicContact CE1-CG2 3.87Å; F244-I575 HydrophobicContact CE2-CG2 4.4Å; F244-I575 HydrophobicContact CZ-CG2 3.38Å; F244-V577 HydrophobicContact CE2-CG2 4.23Å; F244-V577 HydrophobicContact CZ-CG2 3.59Å
245	L	93.7	Very high	94.1	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-58.8	-46.2	177.7	-176.4	63.2	0	0	0	111.4	C203 W242 L243 S248 L561 V564	C203-L245 HydrophobicContact CB-CD2 4.44Å; W242-L245 HydrophobicContact CE3-CD2 4.3Å; W242-L245 HydrophobicContact CZ3-CD2 4.38Å; W242-L245 VanDerWaalsContact O-CB 3.32Å; W242-L245 WeakPolarHBondContact O-CB 3.45Å; W242-L245 PolarHBondContact O-N 3.35Å; L243-L245 VanDerWaalsContact C-N 3.29Å; L243-L245 PolarHBondContact O-N 3.3Å; L245-S248 PolarHBondContact O-N 3.12Å; L245-L561 HydrophobicContact CD1-CB 4.01Å; L245-L561 HydrophobicContact CD2-CD1 4.27Å; L245-V564 HydrophobicContact CB-CG2 4.38Å
246	L	95.6	Very high	94.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-73.3	-40.1	-177.9	-62.2	174.4	0	0	0	111.9	F212 L219 W242 L243 F244 S248 S249 T254 A258	F212-L246 HydrophobicContact CB-CD2 4.14Å; F212-L246 HydrophobicContact CD1-CD2 4.06Å; F212-L246 HydrophobicContact CD2-CD2 3.9Å; F212-L246 HydrophobicContact CE1-CD2 4.4Å; F212-L246 HydrophobicContact CE2-CD2 4.26Å; F212-L246 HydrophobicContact CG-CD2 3.78Å; L219-L246 HydrophobicContact CD1-CD1 3.82Å; W242-L246 PolarHBondContact O-N 2.87Å; L243-L246 HydrophobicContact CD2-CD1 4.41Å; L243-L246 PolarHBondContact O-N 2.8Å; F244-L246 VanDerWaalsContact C-N 3.34Å; F244-L246 PolarHBondContact O-N 3.49Å; L246-S248 PolarHBondContact O-N 2.8Å; L246-S249 WeakPolarHBondContact O-CB 3.4Å; L246-S249 PolarHBondContact O-N 2.92Å; L246-S249 VanDerWaalsContact O-N 3.12Å; L246-T254 HydrophobicContact CB-CG2 4.01Å; L246-T254 HydrophobicContact CD2-CG2 4.07Å; L246-T254 WeakPolarHBondContact O-CG2 3.47Å; L246-A258 HydrophobicContact CB-CB 3.7Å
247	A	94.3	Very high	94.1	Very high	3 Å²	3	22.7 Å²	22.7	3%	0.025	11%	0.11	C	C	.	.	H	α-helix	trans	-67	-21.9	176.2	0	0	0	0	0	113.2	L243 F244 R255 A258 T280 L283	L243-A247 VanDerWaalsContact O-CB 3.24Å; L243-A247 WeakPolarHBondContact O-CB 3.42Å; L243-A247 PolarHBondContact O-N 3.43Å; F244-A247 PolarHBondContact O-N 2.8Å; A247-R255 WeakPolarHBondContact O-CG 3.38Å; A247-R255 PolarHBondContact O-NE 3.09Å; A247-A258 HydrophobicContact CB-CB 3.88Å; A247-T280 HydrophobicContact CB-CG2 4.24Å; A247-L283 HydrophobicContact CB-CB 4.43Å; A247-L283 HydrophobicContact CB-CD1 3.71Å
248	S	90.8	Very high	94.2	Very high	14 Å²	14	18.8 Å²	18.8	10%	0.098	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	0.5	174.3	-55	0	0	0	0	114	F244 L245 L246 N556 S560	F244-S248 WeakPolarHBondContact CE1-OG 3.48Å; F244-S248 VanDerWaalsContact O-CB 3.31Å; F244-S248 WeakPolarHBondContact O-CB 3.37Å; F244-S248 PolarHBondContact O-N 3.36Å; F244-S248 PolarHBondContact O-OG 2.73Å; L245-S248 PolarHBondContact O-N 3.12Å; L246-S248 PolarHBondContact O-N 2.8Å; S248-N556 PolarHBondContact O-ND2 2.57Å; S248-S560 WeakPolarHBondContact CB-OG 3.35Å; S248-S560 PolarHBondContact OG-OG 3.48Å; S248-S560 VanDerWaalsContact OG-OG 3.11Å
249	S	90.6	Very high	94.3	Very high	14 Å²	14	15.7 Å²	15.7	10%	0.098	8%	0.076	C	C	.	.	S	Bend	trans	-62.4	158.7	179.6	-169.7	0	0	0	0	111.8	L246 D251 R255	L246-S249 WeakPolarHBondContact O-CB 3.4Å; L246-S249 PolarHBondContact O-N 2.92Å; L246-S249 VanDerWaalsContact O-N 3.12Å; S249-D251 VanDerWaalsContact C-N 3.27Å; S249-D251 PolarHBondContact OG-N 2.95Å; S249-R255 WeakPolarHBondContact O-CD 3.46Å; S249-R255 VanDerWaalsContact O-CG 3.28Å; S249-R255 WeakPolarHBondContact O-CG 3.46Å
250	Q	88.1	Confident	94.2	Very high	130 Å²	130	15.7 Å²	15.7	61%	0.607	8%	0.076	S	C	*	.	S	Bend	trans	-78.4	-12.3	172	-60.4	-173.3	-0.8	0	0	112.9	S553 N556	Q250-S553 PolarHBondContact NE2-O 3.17Å; Q250-N556 WeakPolarHBondContact CG-ND2 3.17Å; Q250-N556 PolarHBondContact NE2-OD1 3.08Å
251	D	90.9	Very high	94.3	Very high	11 Å²	11	15.6 Å²	15.6	6%	0.059	8%	0.076	C	C	.	.			trans	-92.6	115.1	-179.3	179.5	66.1	0	0	0	111.9	R209 R213 S249 V253 T254 R255	R209-D251 HydrophobicContact CG-CB 3.99Å; R209-D251 IonicContact CZ-OD1 2.72Å; R209-D251 IonicContact NE-OD1 3.99Å; R209-D251 PolarHBondContact NE-OD1 2.97Å; R209-D251 IonicContact NH2-OD1 3.24Å; R209-D251 PolarHBondContact NH2-OD1 3.15Å; R213-D251 WeakPolarHBondContact CG-OD2 3.36Å; R213-D251 IonicContact CZ-OD1 3.05Å; R213-D251 IonicContact CZ-OD2 3.16Å; R213-D251 IonicContact NE-OD1 2.74Å; R213-D251 PolarHBondContact NE-OD1 3.03Å; R213-D251 IonicContact NE-OD2 2.76Å; R213-D251 PolarHBondContact NE-OD2 2.94Å; R213-D251 IonicContact NH2-OD1 3.94Å; R213-D251 PolarHBondContact NH2-OD1 3.41Å; R213-D251 IonicContact NH2-OD2 2.73Å; R213-D251 PolarHBondContact NH2-OD2 3.42Å; S249-D251 VanDerWaalsContact C-N 3.27Å; S249-D251 PolarHBondContact OG-N 2.95Å; D251-V253 PolarHBondContact O-N 2.75Å; D251-T254 WeakPolarHBondContact O-CB 3.39Å; D251-T254 PolarHBondContact O-N 2.88Å; D251-T254 PolarHBondContact OD2-N 3.25Å; D251-T254 PolarHBondContact OD2-OG1 2.97Å; D251-R255 WeakPolarHBondContact O-CG 3.26Å; D251-R255 PolarHBondContact O-N 3.47Å
252	D	92.6	Very high	94.5	Very high	44 Å²	44	14.6 Å²	14.6	24%	0.235	7%	0.07	C	C	.	.	H	α-helix	trans	-62.5	-28.2	-175.3	-63.9	-42.2	0	0	0	114.2	R255 Y256 F287 H291 F296 F299	D252-R255 PolarHBondContact O-N 2.99Å; D252-R255 IonicContact OD1-NH1 3.44Å; D252-R255 PolarHBondContact OD1-NH1 3.39Å; D252-R255 VanDerWaalsContact OD1-NH1 3.07Å; D252-Y256 WeakPolarHBondContact O-CB 3.22Å; D252-Y256 PolarHBondContact O-N 3.44Å; D252-F287 HydrophobicContact CB-CE2 4.2Å; D252-H291 VanDerWaalsContact CG-NE2 3.3Å; D252-H291 IonicContact OD1-CE1 3.79Å; D252-H291 PolarHBondContact OD1-CE1 2.96Å; D252-H291 IonicContact OD1-NE2 3.27Å; D252-H291 PolarHBondContact OD1-NE2 3.39Å; D252-H291 IonicContact OD2-NE2 2.73Å; D252-H291 PolarHBondContact OD2-NE2 2.68Å; D252-F296 HydrophobicContact CB-CE1 4.49Å; D252-F296 HydrophobicContact CB-CZ 4Å; D252-F299 HydrophobicContact CB-CD2 4.46Å; D252-F299 HydrophobicContact CB-CE2 4.36Å
253	V	93.4	Very high	94.6	Very high	2 Å²	2	13.7 Å²	13.7	1%	0.012	7%	0.067	C	C	.	.	H	α-helix	trans	-68.8	-43	174.5	178.6	0	0	0	0	110.9	R213 D251 Y256 Y257 F299 D300	R213-V253 HydrophobicContact CG-CB 4.26Å; R213-V253 HydrophobicContact CG-CG1 4.1Å; D251-V253 PolarHBondContact O-N 2.75Å; V253-Y256 PolarHBondContact O-N 3.28Å; V253-Y257 HydrophobicContact CG1-CD2 3.85Å; V253-Y257 HydrophobicContact CG1-CE2 3.43Å; V253-Y257 VanDerWaalsContact CG1-CE2 3.43Å; V253-Y257 WeakPolarHBondContact O-CD2 3.35Å; V253-Y257 PolarHBondContact O-N 2.87Å; V253-F299 HydrophobicContact CG2-CB 3.91Å; V253-D300 HydrophobicContact CG1-CB 4.4Å; V253-D300 HydrophobicContact CG2-CB 4.42Å
254	T	94.7	Very high	94.5	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-59.7	-47.7	171.6	-63.7	0	0	0	0	111.3	F212 R213 S216 L246 D251 Y256 Y257 A258	F212-T254 HydrophobicContact CB-CG2 3.87Å; F212-T254 HydrophobicContact CD2-CG2 4.46Å; R213-T254 WeakPolarHBondContact CG-OG1 2.99Å; R213-T254 PolarHBondContact N-OG1 3.05Å; S216-T254 WeakPolarHBondContact CB-O 3.21Å; L246-T254 HydrophobicContact CB-CG2 4.01Å; L246-T254 HydrophobicContact CD2-CG2 4.07Å; L246-T254 WeakPolarHBondContact O-CG2 3.47Å; D251-T254 WeakPolarHBondContact O-CB 3.39Å; D251-T254 PolarHBondContact O-N 2.88Å; D251-T254 PolarHBondContact OD2-N 3.25Å; D251-T254 PolarHBondContact OD2-OG1 2.97Å; T254-Y256 VanDerWaalsContact C-N 3.32Å; T254-Y256 PolarHBondContact O-N 3.23Å; T254-Y257 PolarHBondContact O-N 3.49Å; T254-A258 WeakPolarHBondContact O-CB 3.28Å; T254-A258 PolarHBondContact O-N 3.32Å
255	R	94.9	Very high	94.7	Very high	61 Å²	61	13.9 Å²	13.9	23%	0.23	7%	0.069	C	C	.	.	H	α-helix	trans	-60.4	-44.1	-179.9	-60.8	171.3	76.7	-169	2.1	111.5	A247 S249 D251 D252 A258 C259 F287	A247-R255 WeakPolarHBondContact O-CG 3.38Å; A247-R255 PolarHBondContact O-NE 3.09Å; S249-R255 WeakPolarHBondContact O-CD 3.46Å; S249-R255 VanDerWaalsContact O-CG 3.28Å; S249-R255 WeakPolarHBondContact O-CG 3.46Å; D251-R255 WeakPolarHBondContact O-CG 3.26Å; D251-R255 PolarHBondContact O-N 3.47Å; D252-R255 PolarHBondContact O-N 2.99Å; D252-R255 IonicContact OD1-NH1 3.44Å; D252-R255 PolarHBondContact OD1-NH1 3.39Å; D252-R255 VanDerWaalsContact OD1-NH1 3.07Å; R255-A258 PolarHBondContact O-N 2.63Å; R255-C259 WeakPolarHBondContact O-CB 3.3Å; R255-C259 PolarHBondContact O-N 3.24Å; R255-C259 PolarHBondContact O-SG 2.87Å; R255-F287 HydrophobicContact CB-CD2 3.99Å; R255-F287 HydrophobicContact CB-CE2 3.71Å; R255-F287 HydrophobicContact CB-CZ 4.17Å; R255-F287 VanDerWaalsContact CZ-CD2 3.5Å
256	Y	95.4	Very high	94.7	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-54.8	-54.4	177.9	178.1	-92.5	0	0	0	111.9	D252 V253 T254 A258 C259 L260 F287 F296 H303 M329 F332 H333 I336	D252-Y256 WeakPolarHBondContact O-CB 3.22Å; D252-Y256 PolarHBondContact O-N 3.44Å; V253-Y256 PolarHBondContact O-N 3.28Å; T254-Y256 VanDerWaalsContact C-N 3.32Å; T254-Y256 PolarHBondContact O-N 3.23Å; Y256-A258 VanDerWaalsContact C-N 3.33Å; Y256-A258 PolarHBondContact O-N 3.48Å; Y256-C259 PolarHBondContact O-N 2.95Å; Y256-L260 PolarHBondContact O-N 3.27Å; Y256-F287 HydrophobicContact CD2-CE1 4.02Å; Y256-F287 HydrophobicContact CD2-CZ 4.36Å; Y256-F296 HydrophobicContact CD2-CD1 4.01Å; Y256-F296 AromaticContact CD2-CE1 3.86Å; Y256-F296 HydrophobicContact CD2-CE1 3.86Å; Y256-F296 HydrophobicContact CG-CD1 4.34Å; Y256-F296 HydrophobicContact CG-CE1 4.05Å; Y256-H303 AromaticContact CE1-NE2 3.97Å; Y256-M329 HydrophobicContact CD1-CE 4.47Å; Y256-M329 HydrophobicContact CD2-CE 3.76Å; Y256-M329 HydrophobicContact CE1-CE 4.14Å; Y256-M329 HydrophobicContact CE2-CE 3.35Å; Y256-M329 HydrophobicContact CG-CE 4.26Å; Y256-M329 WeakPolarHBondContact O-CE 3.4Å; Y256-F332 HydrophobicContact CD2-CE1 4.23Å; Y256-F332 AromaticContact CE2-CD1 3.95Å; Y256-F332 HydrophobicContact CE2-CD1 3.95Å; Y256-F332 AromaticContact CE2-CE1 3.9Å; Y256-F332 HydrophobicContact CE2-CE1 3.9Å; Y256-H333 AromaticContact CZ-ND1 3.84Å; Y256-H333 WeakPolarHBondContact OH-CB 3.17Å; Y256-H333 PolarHBondContact OH-ND1 2.89Å; Y256-I336 HydrophobicContact CE2-CD1 4.05Å
257	Y	96.2	Very high	94.6	Very high	1 Å²	1	16.3 Å²	16.3	0%	0.004	9%	0.087	C	C	.	.	H	α-helix	trans	-70.8	-30.2	-179	-66.1	-56.2	0	0	0	112.7	L217 V253 T254 L260 A261 H303 R307	L217-Y257 HydrophobicContact CB-CD1 4.42Å; L217-Y257 HydrophobicContact CB-CD2 3.91Å; L217-Y257 HydrophobicContact CB-CE2 4.2Å; L217-Y257 HydrophobicContact CB-CG 4.01Å; L217-Y257 HydrophobicContact CD1-CD1 3.69Å; L217-Y257 HydrophobicContact CD1-CE1 3.62Å; L217-Y257 HydrophobicContact CD1-CE2 4.47Å; L217-Y257 HydrophobicContact CD1-CG 4.17Å; L217-Y257 HydrophobicContact CD2-CE1 4.39Å; L217-Y257 HydrophobicContact CD2-CE2 4.04Å; L217-Y257 HydrophobicContact CG-CE1 4.46Å; L217-Y257 HydrophobicContact CG-CE2 4.49Å; V253-Y257 HydrophobicContact CG1-CD2 3.85Å; V253-Y257 HydrophobicContact CG1-CE2 3.43Å; V253-Y257 VanDerWaalsContact CG1-CE2 3.43Å; V253-Y257 WeakPolarHBondContact O-CD2 3.35Å; V253-Y257 PolarHBondContact O-N 2.87Å; T254-Y257 PolarHBondContact O-N 3.49Å; Y257-L260 HydrophobicContact CD1-CD2 4.39Å; Y257-L260 PolarHBondContact O-N 3.22Å; Y257-A261 WeakPolarHBondContact O-CB 3.12Å; Y257-A261 PolarHBondContact O-N 3.26Å; Y257-H303 AromaticContact CE1-NE2 3.8Å; Y257-H303 AromaticContact CZ-CE1 3.8Å; Y257-H303 AromaticContact CZ-NE2 3.7Å; Y257-H303 PolarHBondContact OH-CE1 3.48Å; Y257-H303 PolarHBondContact OH-NE2 3.12Å; Y257-R307 PolarHBondContact OH-NH2 3.02Å
258	A	97.4	Very high	94.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-65.6	-41.8	172.4	0	0	0	0	0	111.8	L243 L246 A247 T254 R255 Y256 L260 A261 I262	L243-A258 HydrophobicContact CD2-CB 4.22Å; L246-A258 HydrophobicContact CB-CB 3.7Å; A247-A258 HydrophobicContact CB-CB 3.88Å; T254-A258 WeakPolarHBondContact O-CB 3.28Å; T254-A258 PolarHBondContact O-N 3.32Å; R255-A258 PolarHBondContact O-N 2.63Å; Y256-A258 VanDerWaalsContact C-N 3.33Å; Y256-A258 PolarHBondContact O-N 3.48Å; A258-L260 VanDerWaalsContact C-N 3.33Å; A258-A261 PolarHBondContact O-N 3.01Å; A258-I262 PolarHBondContact O-N 3.42Å
259	C	97.2	Very high	94.5	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.007	13%	0.125	C	C	.	.	H	α-helix	trans	-64.3	-38.7	172.7	-65.9	0	0	0	0	111.3	R255 Y256 I262 C263 V284 M329	R255-C259 WeakPolarHBondContact O-CB 3.3Å; R255-C259 PolarHBondContact O-N 3.24Å; R255-C259 PolarHBondContact O-SG 2.87Å; Y256-C259 PolarHBondContact O-N 2.95Å; C259-I262 VanDerWaalsContact O-CG2 3.3Å; C259-I262 WeakPolarHBondContact O-CG2 3.44Å; C259-C263 VanDerWaalsContact O-CB 3.32Å; C259-C263 WeakPolarHBondContact O-CB 3.17Å; C259-C263 PolarHBondContact O-N 2.82Å; C259-C263 VanDerWaalsContact O-N 3.07Å; C259-C263 PolarHBondContact O-SG 3.46Å; C259-V284 HydrophobicContact CB-CG1 4.47Å; C259-V284 HydrophobicContact CB-CG2 4.09Å; C259-M329 HydrophobicContact CB-CE 4.28Å; C259-M329 HydrophobicContact CB-SD 4.09Å
260	L	96.7	Very high	94.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.4	-47.6	175.7	-178.5	55.1	0	0	0	111.2	A220 M224 Y256 Y257 A258 I262 C263 A264 W311 L315 M318 M329	A220-L260 HydrophobicContact CB-CB 4.43Å; A220-L260 HydrophobicContact CB-CD2 4.25Å; A220-L260 HydrophobicContact CB-CG 4.3Å; M224-L260 HydrophobicContact CE-CD2 4.23Å; M224-L260 HydrophobicContact SD-CD1 4.43Å; M224-L260 HydrophobicContact SD-CD2 4.22Å; M224-L260 HydrophobicContact SD-CG 4.39Å; Y256-L260 PolarHBondContact O-N 3.27Å; Y257-L260 HydrophobicContact CD1-CD2 4.39Å; Y257-L260 PolarHBondContact O-N 3.22Å; A258-L260 VanDerWaalsContact C-N 3.33Å; L260-I262 PolarHBondContact O-N 2.92Å; L260-C263 PolarHBondContact O-N 3.48Å; L260-A264 WeakPolarHBondContact O-CB 3.45Å; L260-A264 PolarHBondContact O-N 3.38Å; L260-W311 HydrophobicContact CD2-CH2 3.76Å; L260-W311 HydrophobicContact CD2-CZ2 3.73Å; L260-L315 HydrophobicContact CD1-CD2 3.61Å; L260-M318 HydrophobicContact CD1-CE 4.29Å; L260-M318 HydrophobicContact CD1-SD 4.38Å; L260-M329 HydrophobicContact CB-CE 3.69Å; L260-M329 HydrophobicContact CD1-CE 4.38Å; L260-M329 HydrophobicContact CD1-CG 4.32Å
261	A	97.7	Very high	94.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-60.8	-45.7	180	0	0	0	0	0	112.1	L219 A220 L243 Y257 A258 C263 A264 L265	L219-A261 HydrophobicContact CB-CB 4.38Å; A220-A261 HydrophobicContact CB-CB 4.03Å; L243-A261 HydrophobicContact CD1-CB 3.79Å; L243-A261 HydrophobicContact CD2-CB 3.68Å; L243-A261 HydrophobicContact CG-CB 4.42Å; Y257-A261 WeakPolarHBondContact O-CB 3.12Å; Y257-A261 PolarHBondContact O-N 3.26Å; A258-A261 PolarHBondContact O-N 3.01Å; A261-C263 VanDerWaalsContact C-N 3.33Å; A261-C263 PolarHBondContact O-N 3.39Å; A261-A264 PolarHBondContact O-N 3.27Å; A261-L265 WeakPolarHBondContact O-CG 3.47Å; A261-L265 PolarHBondContact O-N 3.12Å
262	I	97.6	Very high	94.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-67	-36.3	-179.8	-159.4	70.5	0	0	0	111.7	P240 L243 A258 C259 L260 L265 V266 V275 T280 L281 V284	P240-I262 HydrophobicContact CB-CD1 3.84Å; P240-I262 HydrophobicContact CG-CD1 4.46Å; L243-I262 HydrophobicContact CB-CD1 4.48Å; L243-I262 HydrophobicContact CD1-CB 4.17Å; L243-I262 HydrophobicContact CD1-CD1 3.9Å; A258-I262 PolarHBondContact O-N 3.42Å; C259-I262 VanDerWaalsContact O-CG2 3.3Å; C259-I262 WeakPolarHBondContact O-CG2 3.44Å; L260-I262 PolarHBondContact O-N 2.92Å; I262-L265 PolarHBondContact O-N 3.5Å; I262-V266 PolarHBondContact O-N 2.93Å; I262-V275 HydrophobicContact CD1-CB 4.46Å; I262-V275 HydrophobicContact CD1-CG1 3.49Å; I262-V275 VanDerWaalsContact CD1-CG1 3.49Å; I262-V275 HydrophobicContact CD1-CG2 4.47Å; I262-V275 HydrophobicContact CG1-CG1 3.58Å; I262-T280 HydrophobicContact CB-CG2 4.11Å; I262-T280 HydrophobicContact CD1-CG2 4.09Å; I262-T280 HydrophobicContact CG1-CG2 3.86Å; I262-T280 HydrophobicContact CG2-CG2 4.24Å; I262-L281 HydrophobicContact CG1-CD2 4.04Å; I262-L281 HydrophobicContact CG1-CG 4.41Å; I262-L281 HydrophobicContact CG2-CD2 4.24Å; I262-V284 HydrophobicContact CG2-CG2 3.83Å
263	C	97.5	Very high	94.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-70.8	-35.6	175.9	-74.5	0	0	0	0	112.9	C259 L260 A261 V266 S267 M318 P326 M329	C259-C263 VanDerWaalsContact O-CB 3.32Å; C259-C263 WeakPolarHBondContact O-CB 3.17Å; C259-C263 PolarHBondContact O-N 2.82Å; C259-C263 VanDerWaalsContact O-N 3.07Å; C259-C263 PolarHBondContact O-SG 3.46Å; L260-C263 PolarHBondContact O-N 3.48Å; A261-C263 VanDerWaalsContact C-N 3.33Å; A261-C263 PolarHBondContact O-N 3.39Å; C263-V266 WeakPolarHBondContact O-CG1 3.44Å; C263-S267 PolarHBondContact O-N 3.16Å; C263-S267 PolarHBondContact O-OG 2.66Å; C263-M318 HydrophobicContact CB-CE 3.45Å; C263-M318 VanDerWaalsContact CB-CE 3.45Å; C263-P326 HydrophobicContact CB-CB 4.27Å; C263-P326 HydrophobicContact CB-CG 4.37Å; C263-M329 HydrophobicContact CB-CB 4.1Å; C263-M329 HydrophobicContact CB-CG 4.18Å
264	A	96	Very high	94.8	Very high	10 Å²	10	29.6 Å²	29.6	8%	0.083	16%	0.155	C	C	.	.	H	α-helix	trans	-63.7	-44	171.9	0	0	0	0	0	110.9	M224 L260 A261 S267 M318	M224-A264 HydrophobicContact CG-CB 3.88Å; L260-A264 WeakPolarHBondContact O-CB 3.45Å; L260-A264 PolarHBondContact O-N 3.38Å; A261-A264 PolarHBondContact O-N 3.27Å; A264-S267 PolarHBondContact O-N 3.25Å; A264-M318 HydrophobicContact CB-SD 4.41Å
265	L	96.6	Very high	94.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64	-49.4	177.2	-70.5	172.8	0	0	0	112.6	S223 Q231 M234 V239 P240 L243 A261 I262 S267 N268 V271 V275	S223-L265 WeakPolarHBondContact OG-CG 3.31Å; Q231-L265 HydrophobicContact CB-CD2 4.24Å; Q231-L265 HydrophobicContact CG-CD2 3.96Å; M234-L265 HydrophobicContact CE-CD1 4.44Å; M234-L265 HydrophobicContact CE-CD2 4.14Å; M234-L265 HydrophobicContact SD-CD2 4.01Å; V239-L265 HydrophobicContact CG1-CD1 4.29Å; P240-L265 HydrophobicContact CG-CD1 4.36Å; L243-L265 HydrophobicContact CD1-CD1 4.03Å; A261-L265 WeakPolarHBondContact O-CG 3.47Å; A261-L265 PolarHBondContact O-N 3.12Å; I262-L265 PolarHBondContact O-N 3.5Å; L265-S267 PolarHBondContact O-N 3.38Å; L265-S267 VanDerWaalsContact O-N 3.14Å; L265-N268 PolarHBondContact O-N 3.17Å; L265-V271 WeakPolarHBondContact O-CG2 3.47Å; L265-V275 HydrophobicContact CB-CG2 3.77Å
266	V	95.4	Very high	94.6	Very high	5 Å²	5	29.5 Å²	29.5	3%	0.03	16%	0.161	C	C	.	.	H	α-helix	trans	-66.4	-17.9	-176.6	79.3	0	0	0	0	113	I262 C263 N268 E272 V275 L281 P326	I262-V266 PolarHBondContact O-N 2.93Å; C263-V266 WeakPolarHBondContact O-CG1 3.44Å; V266-N268 PolarHBondContact O-N 3.44Å; V266-E272 HydrophobicContact CG2-CB 4.44Å; V266-E272 HydrophobicContact CG2-CG 3.92Å; V266-V275 HydrophobicContact CB-CB 4.23Å; V266-V275 HydrophobicContact CB-CG1 3.71Å; V266-V275 HydrophobicContact CG2-CB 4.28Å; V266-V275 HydrophobicContact CG2-CG1 3.99Å; V266-L281 HydrophobicContact CB-CD1 4.48Å; V266-L281 HydrophobicContact CB-CD2 4.13Å; V266-L281 HydrophobicContact CG1-CD2 3.93Å; V266-L281 HydrophobicContact CG2-CD1 3.83Å; V266-L281 HydrophobicContact CG2-CD2 4.33Å; V266-P326 HydrophobicContact CG1-CG 3.29Å
267	S	92.7	Very high	94.4	Very high	47 Å²	47	37.1 Å²	37.1	33%	0.329	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-18.7	175.2	-61.2	0	0	0	0	112.4	C263 A264 L265	C263-S267 PolarHBondContact O-N 3.16Å; C263-S267 PolarHBondContact O-OG 2.66Å; A264-S267 PolarHBondContact O-N 3.25Å; L265-S267 PolarHBondContact O-N 3.38Å; L265-S267 VanDerWaalsContact O-N 3.14Å
268	N	91.7	Very high	94.1	Very high	30 Å²	30	37.1 Å²	37.1	16%	0.16	20%	0.195	C	C	.	.	S	Bend	trans	-89.8	117.6	167.9	179.2	-2.9	0	0	0	111.1	S228 Q231 L265 V266 E270 V271 E272	S228-N268 PolarHBondContact OG-ND2 3.17Å; Q231-N268 PolarHBondContact OE1-ND2 3.44Å; L265-N268 PolarHBondContact O-N 3.17Å; V266-N268 PolarHBondContact O-N 3.44Å; N268-E270 PolarHBondContact O-N 3.29Å; N268-E270 WeakPolarHBondContact OD1-CB 3.49Å; N268-E270 PolarHBondContact OD1-N 3.28Å; N268-V271 HydrophobicContact CB-CG2 3.89Å; N268-V271 WeakPolarHBondContact O-CG2 3.49Å; N268-V271 PolarHBondContact O-N 3.42Å; N268-E272 PolarHBondContact O-N 3.27Å; N268-E272 VanDerWaalsContact O-N 3.15Å
269	K	90.5	Very high	93.6	Very high	178 Å²	178	38.7 Å²	38.7	77%	0.774	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-30.5	-179.2	-169.6	178.3	180	-175.5	0	113.8	V271	K269-V271 VanDerWaalsContact C-N 3.26Å; K269-V271 PolarHBondContact O-N 3.16Å
270	E	91.8	Very high	93.4	Very high	128 Å²	128	38.6 Å²	38.6	60%	0.598	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-27.7	-178.9	-65.8	-175.1	-174.1	0	0	112.6	S228 Q232 N268	S228-E270 VanDerWaalsContact OG-CD 3.23Å; S228-E270 PolarHBondContact OG-OE2 3.12Å; Q232-E270 PolarHBondContact NE2-OE2 3.3Å; N268-E270 PolarHBondContact O-N 3.29Å; N268-E270 WeakPolarHBondContact OD1-CB 3.49Å; N268-E270 PolarHBondContact OD1-N 3.28Å
271	V	93.1	Very high	93.2	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.03	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110	-5	-177.2	-58.8	0	0	0	0	113.5	Q231 Q232 I235 L265 N268 K269 S273 A274 V275	Q231-V271 HydrophobicContact CB-CG1 4.41Å; Q232-V271 HydrophobicContact CG-CG1 4.32Å; I235-V271 HydrophobicContact CD1-CB 4.01Å; I235-V271 HydrophobicContact CD1-CG1 4.38Å; I235-V271 HydrophobicContact CG1-CB 3.7Å; I235-V271 HydrophobicContact CG1-CG1 3.55Å; L265-V271 WeakPolarHBondContact O-CG2 3.47Å; N268-V271 HydrophobicContact CB-CG2 3.89Å; N268-V271 WeakPolarHBondContact O-CG2 3.49Å; N268-V271 PolarHBondContact O-N 3.42Å; K269-V271 VanDerWaalsContact C-N 3.26Å; K269-V271 PolarHBondContact O-N 3.16Å; V271-S273 VanDerWaalsContact C-N 3.26Å; V271-S273 PolarHBondContact O-N 2.85Å; V271-S273 VanDerWaalsContact O-N 3.16Å; V271-A274 PolarHBondContact O-N 2.98Å; V271-A274 VanDerWaalsContact O-N 3.07Å; V271-V275 PolarHBondContact O-N 3.46Å; V271-V275 VanDerWaalsContact O-N 3.1Å
272	E	93.4	Very high	92.8	Very high	51 Å²	51	42.4 Å²	42.4	24%	0.238	24%	0.239	C	C	.	.	H	α-helix	trans	-49.4	-43.5	-178.3	-178	-175.9	160.1	0	0	112.8	V266 N268 V275 T276 R323	V266-E272 HydrophobicContact CG2-CB 4.44Å; V266-E272 HydrophobicContact CG2-CG 3.92Å; N268-E272 PolarHBondContact O-N 3.27Å; N268-E272 VanDerWaalsContact O-N 3.15Å; E272-V275 PolarHBondContact O-N 3.4Å; E272-T276 WeakPolarHBondContact O-CB 3.22Å; E272-T276 PolarHBondContact O-N 3.33Å; E272-T276 PolarHBondContact O-OG1 3.43Å; E272-R323 IonicContact OE1-CZ 2.79Å; E272-R323 IonicContact OE1-NE 3.81Å; E272-R323 PolarHBondContact OE1-NE 3.31Å; E272-R323 IonicContact OE1-NH2 3.57Å; E272-R323 PolarHBondContact OE1-NH2 3.28Å
273	S	92.3	Very high	92.6	Very high	72 Å²	72	43 Å²	43	50%	0.503	24%	0.242	S	C	.	.	H	α-helix	trans	-63.6	-44	-178.8	-175.7	0	0	0	0	112.2	V271 T276 K277	V271-S273 VanDerWaalsContact C-N 3.26Å; V271-S273 PolarHBondContact O-N 2.85Å; V271-S273 VanDerWaalsContact O-N 3.16Å; S273-T276 PolarHBondContact O-N 3.44Å; S273-K277 VanDerWaalsContact O-CG 3.3Å; S273-K277 WeakPolarHBondContact O-CG 3.39Å; S273-K277 PolarHBondContact O-N 3.48Å; S273-K277 VanDerWaalsContact O-N 3.11Å
274	A	92.2	Very high	92.4	Very high	32 Å²	32	43 Å²	43	26%	0.264	24%	0.242	S	C	.	.	H	α-helix	trans	-66.9	-42.7	178.5	0	0	0	0	0	111.3	I235 V271 T276 K277 S278	I235-A274 HydrophobicContact CD1-CB 4.06Å; I235-A274 HydrophobicContact CG1-CB 4.36Å; I235-A274 HydrophobicContact CG2-CB 3.51Å; V271-A274 PolarHBondContact O-N 2.98Å; V271-A274 VanDerWaalsContact O-N 3.07Å; A274-T276 VanDerWaalsContact C-N 3.34Å; A274-T276 PolarHBondContact O-N 2.79Å; A274-K277 PolarHBondContact O-N 3.35Å; A274-S278 PolarHBondContact O-N 3.12Å
275	V	94.3	Very high	92.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.1	-43.6	176.6	175	0	0	0	0	111.4	I235 P240 I262 L265 V266 V271 E272 K277 S278 L281	I235-V275 HydrophobicContact CD1-CG2 4.25Å; P240-V275 HydrophobicContact CG-CG2 4.06Å; I262-V275 HydrophobicContact CD1-CB 4.46Å; I262-V275 HydrophobicContact CD1-CG1 3.49Å; I262-V275 VanDerWaalsContact CD1-CG1 3.49Å; I262-V275 HydrophobicContact CD1-CG2 4.47Å; I262-V275 HydrophobicContact CG1-CG1 3.58Å; L265-V275 HydrophobicContact CB-CG2 3.77Å; V266-V275 HydrophobicContact CB-CB 4.23Å; V266-V275 HydrophobicContact CB-CG1 3.71Å; V266-V275 HydrophobicContact CG2-CB 4.28Å; V266-V275 HydrophobicContact CG2-CG1 3.99Å; V271-V275 PolarHBondContact O-N 3.46Å; V271-V275 VanDerWaalsContact O-N 3.1Å; E272-V275 PolarHBondContact O-N 3.4Å; V275-K277 VanDerWaalsContact C-N 3.34Å; V275-K277 PolarHBondContact O-N 3.43Å; V275-S278 PolarHBondContact O-N 3.19Å; V275-S278 PolarHBondContact O-OG 2.96Å; V275-L281 HydrophobicContact CG1-CD1 4.04Å; V275-L281 HydrophobicContact CG1-CD2 4.03Å; V275-L281 HydrophobicContact CG1-CG 3.9Å
276	T	91.8	Very high	92	Very high	59 Å²	59	44 Å²	44	36%	0.362	25%	0.247	S	C	.	.	H	α-helix	trans	-61.1	-42.3	177.5	-52.7	0	0	0	0	111.9	E272 S273 A274 S278 G279 R323	E272-T276 WeakPolarHBondContact O-CB 3.22Å; E272-T276 PolarHBondContact O-N 3.33Å; E272-T276 PolarHBondContact O-OG1 3.43Å; S273-T276 PolarHBondContact O-N 3.44Å; A274-T276 VanDerWaalsContact C-N 3.34Å; A274-T276 PolarHBondContact O-N 2.79Å; T276-S278 VanDerWaalsContact C-N 3.28Å; T276-S278 PolarHBondContact O-N 3.31Å; T276-G279 PolarHBondContact O-N 3.49Å; T276-R323 PolarHBondContact OG1-NH1 2.92Å
277	K	89.5	Confident	91.9	Very high	161 Å²	161	43.7 Å²	43.7	70%	0.7	25%	0.246	S	C	*	.	H	α-helix	trans	-65	-27.8	-178.7	-74.1	173.4	-176.1	-178.5	0	113.9	S273 A274 V275 G279	S273-K277 VanDerWaalsContact O-CG 3.3Å; S273-K277 WeakPolarHBondContact O-CG 3.39Å; S273-K277 PolarHBondContact O-N 3.48Å; S273-K277 VanDerWaalsContact O-N 3.11Å; A274-K277 PolarHBondContact O-N 3.35Å; V275-K277 VanDerWaalsContact C-N 3.34Å; V275-K277 PolarHBondContact O-N 3.43Å; K277-G279 PolarHBondContact O-N 2.86Å
278	S	90.4	Very high	91.9	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.007	23%	0.23	C	C	.	.	H	α-helix	trans	-64.5	-24	178.5	71.6	0	0	0	0	113.8	A274 V275 T276 T280 K563	A274-S278 PolarHBondContact O-N 3.12Å; V275-S278 PolarHBondContact O-N 3.19Å; V275-S278 PolarHBondContact O-OG 2.96Å; T276-S278 VanDerWaalsContact C-N 3.28Å; T276-S278 PolarHBondContact O-N 3.31Å; S278-T280 PolarHBondContact O-N 2.98Å; S278-T280 PolarHBondContact OG-N 2.86Å; S278-T280 PolarHBondContact OG-OG1 2.9Å; S278-K563 PolarHBondContact O-NZ 3.11Å
279	G	87.5	Confident	92	Very high	32 Å²	32	43.1 Å²	43.1	33%	0.33	24%	0.238	S	C	.	.	S	Bend	trans	78	-3.4	-173.8	0	0	0	0	0	114.5	T276 K277 L281 A282	T276-G279 PolarHBondContact O-N 3.49Å; K277-G279 PolarHBondContact O-N 2.86Å; G279-L281 VanDerWaalsContact C-N 3.29Å; G279-L281 PolarHBondContact O-N 2.94Å; G279-A282 WeakPolarHBondContact O-CB 3.44Å; G279-A282 PolarHBondContact O-N 3.18Å
280	T	92.8	Very high	92	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-66.1	-27.9	-174.7	-53.5	0	0	0	0	113.4	P240 L243 F244 A247 I262 S278 A282 L283	P240-T280 PolarHBondContact O-OG1 3.28Å; L243-T280 HydrophobicContact CB-CG2 4.06Å; F244-T280 WeakPolarHBondContact CB-OG1 3.38Å; F244-T280 PolarHBondContact N-OG1 3.47Å; A247-T280 HydrophobicContact CB-CG2 4.24Å; I262-T280 HydrophobicContact CB-CG2 4.11Å; I262-T280 HydrophobicContact CD1-CG2 4.09Å; I262-T280 HydrophobicContact CG1-CG2 3.86Å; I262-T280 HydrophobicContact CG2-CG2 4.24Å; S278-T280 PolarHBondContact O-N 2.98Å; S278-T280 PolarHBondContact OG-N 2.86Å; S278-T280 PolarHBondContact OG-OG1 2.9Å; T280-A282 PolarHBondContact O-N 3.34Å; T280-L283 WeakPolarHBondContact O-CB 3.46Å; T280-L283 PolarHBondContact O-N 3.48Å
281	L	92.5	Very high	92	Very high	13 Å²	13	32.2 Å²	32.2	7%	0.068	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-60.6	-31.4	177.8	-70.7	174.5	0	0	0	113.4	I262 V266 V275 G279 L283 V284 E325	I262-L281 HydrophobicContact CG1-CD2 4.04Å; I262-L281 HydrophobicContact CG1-CG 4.41Å; I262-L281 HydrophobicContact CG2-CD2 4.24Å; V266-L281 HydrophobicContact CB-CD1 4.48Å; V266-L281 HydrophobicContact CB-CD2 4.13Å; V266-L281 HydrophobicContact CG1-CD2 3.93Å; V266-L281 HydrophobicContact CG2-CD1 3.83Å; V266-L281 HydrophobicContact CG2-CD2 4.33Å; V275-L281 HydrophobicContact CG1-CD1 4.04Å; V275-L281 HydrophobicContact CG1-CD2 4.03Å; V275-L281 HydrophobicContact CG1-CG 3.9Å; G279-L281 VanDerWaalsContact C-N 3.29Å; G279-L281 PolarHBondContact O-N 2.94Å; L281-L283 PolarHBondContact O-N 3.28Å; L281-V284 PolarHBondContact O-N 2.85Å; L281-V284 VanDerWaalsContact O-N 3.16Å; L281-E325 HydrophobicContact CD2-CB 4.4Å
282	A	90.1	Very high	91.9	Very high	66 Å²	66	38.3 Å²	38.3	55%	0.545	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-62.8	-17	-179.6	0	0	0	0	0	112.9	G279 T280 P286	G279-A282 WeakPolarHBondContact O-CB 3.44Å; G279-A282 PolarHBondContact O-N 3.18Å; T280-A282 PolarHBondContact O-N 3.34Å; A282-P286 VanDerWaalsContact O-CD 3.3Å; A282-P286 WeakPolarHBondContact O-CD 3.19Å; A282-P286 WeakPolarHBondContact O-CG 3.49Å
283	L	91.7	Very high	91.8	Very high	12 Å²	12	36 Å²	36	6%	0.063	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-85.9	-15.5	-178.7	-52.4	-171.7	0	0	0	113.6	F244 A247 T280 L281 F287 V577	F244-L283 HydrophobicContact CD2-CD1 4.02Å; F244-L283 HydrophobicContact CE2-CD1 3.93Å; F244-L283 HydrophobicContact CE2-CG 4.43Å; F244-L283 HydrophobicContact CZ-CD1 4.41Å; A247-L283 HydrophobicContact CB-CB 4.43Å; A247-L283 HydrophobicContact CB-CD1 3.71Å; T280-L283 WeakPolarHBondContact O-CB 3.46Å; T280-L283 PolarHBondContact O-N 3.48Å; L281-L283 PolarHBondContact O-N 3.28Å; L283-F287 WeakPolarHBondContact O-CB 3.46Å; L283-F287 PolarHBondContact O-N 2.87Å; L283-V577 HydrophobicContact CD2-CB 3.43Å; L283-V577 VanDerWaalsContact CD2-CB 3.43Å; L283-V577 HydrophobicContact CD2-CG1 3.25Å; L283-V577 HydrophobicContact CD2-CG2 3.84Å
284	V	94.5	Very high	91.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-70.6	-63.9	-170	178.4	0	0	0	0	111.7	C259 I262 L281 F287 L288 E325 M329	C259-V284 HydrophobicContact CB-CG1 4.47Å; C259-V284 HydrophobicContact CB-CG2 4.09Å; I262-V284 HydrophobicContact CG2-CG2 3.83Å; L281-V284 PolarHBondContact O-N 2.85Å; L281-V284 VanDerWaalsContact O-N 3.16Å; V284-F287 WeakPolarHBondContact O-CB 3.34Å; V284-F287 PolarHBondContact O-N 3.47Å; V284-F287 VanDerWaalsContact O-N 3.12Å; V284-L288 HydrophobicContact CG1-CD1 3.9Å; V284-L288 HydrophobicContact CG1-CG 4.3Å; V284-L288 WeakPolarHBondContact O-CG 3.41Å; V284-L288 PolarHBondContact O-N 3.34Å; V284-E325 HydrophobicContact CB-CB 4.37Å; V284-E325 HydrophobicContact CG1-CB 4.35Å; V284-M329 HydrophobicContact CG1-CB 4.39Å
285	E	93.2	Very high	91.1	Very high	9 Å²	9	37.9 Å²	37.9	4%	0.042	21%	0.208	C	C	.	.	H	α-helix	trans	-61.4	-43	-176.4	-69	-174.5	160.2	0	0	113.4	F287 L288 L289 R324 S328 V369 Y581	E285-F287 VanDerWaalsContact C-N 3.27Å; E285-F287 PolarHBondContact O-N 2.94Å; E285-L288 PolarHBondContact O-N 3.09Å; E285-L289 WeakPolarHBondContact O-CB 3.48Å; E285-L289 WeakPolarHBondContact O-CG 3.36Å; E285-L289 PolarHBondContact O-N 3.48Å; E285-R324 WeakPolarHBondContact OE1-CD 3.16Å; E285-R324 WeakPolarHBondContact OE1-CG 3.33Å; E285-R324 IonicContact OE1-NE 2.74Å; E285-R324 IonicContact OE2-CZ 3.44Å; E285-R324 IonicContact OE2-NE 3.47Å; E285-R324 IonicContact OE2-NH2 3.4Å; E285-S328 PolarHBondContact OE1-OG 2.97Å; E285-V369 HydrophobicContact CB-CG2 4.44Å; E285-V369 HydrophobicContact CG-CB 4.45Å; E285-V369 HydrophobicContact CG-CG1 4.31Å; E285-V369 HydrophobicContact CG-CG2 4.31Å; E285-Y581 PolarHBondContact OE2-OH 3.1Å
286	P	90.4	Very high	90.6	Very high	22 Å²	22	37.9 Å²	37.9	14%	0.143	21%	0.208	C	C	.	.	H	α-helix	trans	-52.7	-43.3	171.4	-33.8	41	0	0	0	114	A282 S290 R579	A282-P286 VanDerWaalsContact O-CD 3.3Å; A282-P286 WeakPolarHBondContact O-CD 3.19Å; A282-P286 WeakPolarHBondContact O-CG 3.49Å; P286-S290 WeakPolarHBondContact O-CB 3.39Å; P286-S290 PolarHBondContact O-N 2.98Å; P286-S290 VanDerWaalsContact O-N 3.17Å; P286-S290 PolarHBondContact O-OG 3.12Å; P286-R579 HydrophobicContact CB-CB 4.07Å; P286-R579 HydrophobicContact CG-CB 4.36Å; P286-R579 PolarHBondContact O-NH1 3.16Å
287	F	92.5	Very high	89.7	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.7	-49.2	176.5	168.2	-104.4	0	0	0	111.2	D252 R255 Y256 L283 V284 E285 L289 S290 H291 F296	D252-F287 HydrophobicContact CB-CE2 4.2Å; R255-F287 HydrophobicContact CB-CD2 3.99Å; R255-F287 HydrophobicContact CB-CE2 3.71Å; R255-F287 HydrophobicContact CB-CZ 4.17Å; R255-F287 VanDerWaalsContact CZ-CD2 3.5Å; Y256-F287 HydrophobicContact CD2-CE1 4.02Å; Y256-F287 HydrophobicContact CD2-CZ 4.36Å; L283-F287 WeakPolarHBondContact O-CB 3.46Å; L283-F287 PolarHBondContact O-N 2.87Å; V284-F287 WeakPolarHBondContact O-CB 3.34Å; V284-F287 PolarHBondContact O-N 3.47Å; V284-F287 VanDerWaalsContact O-N 3.12Å; E285-F287 VanDerWaalsContact C-N 3.27Å; E285-F287 PolarHBondContact O-N 2.94Å; F287-L289 PolarHBondContact O-N 3.17Å; F287-S290 PolarHBondContact O-N 3.32Å; F287-S290 VanDerWaalsContact O-N 3.17Å; F287-S290 PolarHBondContact O-OG 3.02Å; F287-H291 AromaticContact CD2-CE1 3.48Å; F287-H291 VanDerWaalsContact CD2-CE1 3.48Å; F287-H291 WeakPolarHBondContact CD2-CE1 3.41Å; F287-H291 AromaticContact CD2-ND1 3.57Å; F287-H291 AromaticContact CE2-CE1 3.29Å; F287-H291 WeakPolarHBondContact CE2-CE1 3.48Å; F287-H291 AromaticContact CE2-ND1 3.48Å; F287-H291 WeakPolarHBondContact CE2-ND1 3.33Å; F287-H291 PolarHBondContact O-ND1 3.22Å; F287-F296 HydrophobicContact CE1-CZ 4.42Å; F287-F296 HydrophobicContact CE2-CZ 4.1Å; F287-F296 AromaticContact CZ-CE1 3.98Å; F287-F296 HydrophobicContact CZ-CE1 3.98Å; F287-F296 AromaticContact CZ-CZ 3.53Å; F287-F296 HydrophobicContact CZ-CZ 3.53Å
288	L	94.1	Very high	89.1	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.2	-44.6	-179.9	-62.2	179.3	0	0	0	112	V284 E285 S290 H291 M329 F332 F373	V284-L288 HydrophobicContact CG1-CD1 3.9Å; V284-L288 HydrophobicContact CG1-CG 4.3Å; V284-L288 WeakPolarHBondContact O-CG 3.41Å; V284-L288 PolarHBondContact O-N 3.34Å; E285-L288 PolarHBondContact O-N 3.09Å; L288-S290 PolarHBondContact O-N 3.39Å; L288-H291 PolarHBondContact O-N 3.16Å; L288-H291 VanDerWaalsContact O-N 3.13Å; L288-M329 HydrophobicContact CD1-CB 4.46Å; L288-M329 HydrophobicContact CD1-SD 4.41Å; L288-M329 HydrophobicContact CD2-SD 3.77Å; L288-F332 HydrophobicContact CB-CD2 4.39Å; L288-F332 HydrophobicContact CD1-CB 4.42Å; L288-F332 HydrophobicContact CD2-CB 3.92Å; L288-F332 HydrophobicContact CD2-CD1 3.78Å; L288-F332 HydrophobicContact CD2-CD2 3.91Å; L288-F332 HydrophobicContact CD2-CE1 4.22Å; L288-F332 HydrophobicContact CD2-CE2 4.35Å; L288-F332 HydrophobicContact CD2-CG 3.61Å; L288-F332 HydrophobicContact CD2-CZ 4.5Å; L288-F373 HydrophobicContact CB-CE2 3.82Å; L288-F373 HydrophobicContact CB-CZ 4.12Å
289	L	92.6	Very high	88.5	Confident	64 Å²	64	39 Å²	39	34%	0.335	21%	0.212	S	C	.	.	H	α-helix	trans	-68.1	-20.7	179	-70.5	173.8	0	0	0	113.5	E285 F287 H291 V369	E285-L289 WeakPolarHBondContact O-CB 3.48Å; E285-L289 WeakPolarHBondContact O-CG 3.36Å; E285-L289 PolarHBondContact O-N 3.48Å; F287-L289 PolarHBondContact O-N 3.17Å; L289-H291 VanDerWaalsContact C-N 3.26Å; L289-V369 HydrophobicContact CD1-CG2 3.94Å; L289-V369 HydrophobicContact CD2-CG1 4.06Å; L289-V369 HydrophobicContact CD2-CG2 4.13Å; L289-V369 HydrophobicContact CG-CG1 4.19Å; L289-V369 HydrophobicContact CG-CG2 4.19Å
290	S	90.9	Very high	88	Confident	45 Å²	45	38.2 Å²	38.2	32%	0.315	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-6.8	174.1	65.4	0	0	0	0	114.2	P286 F287 L288 R579	P286-S290 WeakPolarHBondContact O-CB 3.39Å; P286-S290 PolarHBondContact O-N 2.98Å; P286-S290 VanDerWaalsContact O-N 3.17Å; P286-S290 PolarHBondContact O-OG 3.12Å; F287-S290 PolarHBondContact O-N 3.32Å; F287-S290 VanDerWaalsContact O-N 3.17Å; F287-S290 PolarHBondContact O-OG 3.02Å; L288-S290 PolarHBondContact O-N 3.39Å; S290-R579 VanDerWaalsContact CB-NH1 3.31Å
291	H	91.9	Very high	87.1	Confident	32 Å²	32	40 Å²	40	15%	0.148	21%	0.207	C	C	.	.	S	Bend	trans	-132.2	157.3	-171	-66.8	104.3	0	0	0	113.1	D252 F287 L288 L289 F296 F332	D252-H291 VanDerWaalsContact CG-NE2 3.3Å; D252-H291 IonicContact OD1-CE1 3.79Å; D252-H291 PolarHBondContact OD1-CE1 2.96Å; D252-H291 IonicContact OD1-NE2 3.27Å; D252-H291 PolarHBondContact OD1-NE2 3.39Å; D252-H291 IonicContact OD2-NE2 2.73Å; D252-H291 PolarHBondContact OD2-NE2 2.68Å; F287-H291 AromaticContact CD2-CE1 3.48Å; F287-H291 VanDerWaalsContact CD2-CE1 3.48Å; F287-H291 WeakPolarHBondContact CD2-CE1 3.41Å; F287-H291 AromaticContact CD2-ND1 3.57Å; F287-H291 AromaticContact CE2-CE1 3.29Å; F287-H291 WeakPolarHBondContact CE2-CE1 3.48Å; F287-H291 AromaticContact CE2-ND1 3.48Å; F287-H291 WeakPolarHBondContact CE2-ND1 3.33Å; F287-H291 PolarHBondContact O-ND1 3.22Å; L288-H291 PolarHBondContact O-N 3.16Å; L288-H291 VanDerWaalsContact O-N 3.13Å; L289-H291 VanDerWaalsContact C-N 3.26Å; H291-F296 HydrophobicContact CB-CD2 4.12Å; H291-F296 HydrophobicContact CB-CE2 3.46Å; H291-F296 VanDerWaalsContact CB-CE2 3.46Å; H291-F296 HydrophobicContact CB-CZ 4.37Å; H291-F296 AromaticContact CD2-CE2 3.45Å; H291-F296 VanDerWaalsContact CD2-CE2 3.45Å; H291-F296 WeakPolarHBondContact CD2-CE2 3.35Å; H291-F296 AromaticContact CD2-CZ 3.98Å; H291-F296 AromaticContact CG-CE2 3.4Å; H291-F296 AromaticContact CG-CZ 3.97Å; H291-F332 HydrophobicContact CB-CE2 4.39Å; H291-F332 HydrophobicContact CB-CZ 4.18Å
292	K	91.3	Very high	86.2	Confident	134 Å²	134	41.3 Å²	41.3	58%	0.583	21%	0.211	S	C	*	.			trans	-103.7	134.6	170.6	-62.2	-179.3	-179.3	178.5	0	109.7	E294 D295	K292-E294 VanDerWaalsContact C-N 3.29Å; K292-E294 PolarHBondContact O-N 3Å; K292-D295 PolarHBondContact O-N 3.18Å
293	P	91.4	Very high	85.3	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.006	19%	0.185	C	C	.	.	H	α-helix	trans	-54.4	-40.5	176.9	-26.9	33.4	0	0	0	114	D295 F296 F332 A335 I336 F373	P293-D295 VanDerWaalsContact C-N 3.3Å; P293-D295 PolarHBondContact O-N 3.14Å; P293-F296 WeakPolarHBondContact O-CB 3.43Å; P293-F296 PolarHBondContact O-N 2.97Å; P293-F332 HydrophobicContact CB-CE2 4.35Å; P293-F332 HydrophobicContact CG-CD2 3.73Å; P293-F332 HydrophobicContact CG-CE2 3.7Å; P293-F332 HydrophobicContact CG-CG 4.41Å; P293-F332 HydrophobicContact CG-CZ 4.36Å; P293-A335 HydrophobicContact CB-CB 3.62Å; P293-A335 HydrophobicContact CG-CB 3.69Å; P293-I336 HydrophobicContact CB-CG1 3.98Å; P293-I336 WeakPolarHBondContact O-CG1 3.32Å; P293-F373 HydrophobicContact CG-CD1 3.85Å; P293-F373 HydrophobicContact CG-CE1 4.09Å
294	E	84.6	Confident	84.3	Confident	67 Å²	67	41.5 Å²	41.5	31%	0.313	20%	0.201	S	C	.	.	H	α-helix	trans	-61.6	-39.2	-176.4	-62.8	82.2	179.6	0	0	112.3	K292 F296 S297 Q376	K292-E294 VanDerWaalsContact C-N 3.29Å; K292-E294 PolarHBondContact O-N 3Å; E294-F296 VanDerWaalsContact C-N 3.27Å; E294-F296 PolarHBondContact O-N 3.22Å; E294-S297 PolarHBondContact O-N 3.05Å; E294-S297 PolarHBondContact O-OG 3.25Å; E294-Q376 PolarHBondContact OE1-NE2 3.47Å; E294-Q376 PolarHBondContact OE2-NE2 3.1Å
295	D	85.6	Confident	83.3	Confident	78 Å²	78	42.5 Å²	42.5	42%	0.417	21%	0.206	S	C	.	.	H	α-helix	trans	-67.3	-30.6	-178.4	-62	-22.5	0	0	0	111.3	K292 P293 S297 Q298 F299	K292-D295 PolarHBondContact O-N 3.18Å; P293-D295 VanDerWaalsContact C-N 3.3Å; P293-D295 PolarHBondContact O-N 3.14Å; D295-S297 VanDerWaalsContact C-N 3.29Å; D295-S297 PolarHBondContact O-N 3.39Å; D295-Q298 PolarHBondContact O-N 3.42Å; D295-F299 HydrophobicContact CB-CE1 4.4Å; D295-F299 HydrophobicContact CB-CZ 4.36Å; D295-F299 VanDerWaalsContact O-CD1 3.27Å; D295-F299 WeakPolarHBondContact O-CD1 3.07Å; D295-F299 WeakPolarHBondContact O-CE1 3.4Å
296	F	82.5	Confident	82.6	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-67.7	-26.6	-178.2	-99.5	-98.1	0	0	0	114.1	D252 Y256 F287 H291 P293 E294 Q298 F299 F332 I336	D252-F296 HydrophobicContact CB-CE1 4.49Å; D252-F296 HydrophobicContact CB-CZ 4Å; Y256-F296 HydrophobicContact CD2-CD1 4.01Å; Y256-F296 AromaticContact CD2-CE1 3.86Å; Y256-F296 HydrophobicContact CD2-CE1 3.86Å; Y256-F296 HydrophobicContact CG-CD1 4.34Å; Y256-F296 HydrophobicContact CG-CE1 4.05Å; F287-F296 HydrophobicContact CE1-CZ 4.42Å; F287-F296 HydrophobicContact CE2-CZ 4.1Å; F287-F296 AromaticContact CZ-CE1 3.98Å; F287-F296 HydrophobicContact CZ-CE1 3.98Å; F287-F296 AromaticContact CZ-CZ 3.53Å; F287-F296 HydrophobicContact CZ-CZ 3.53Å; H291-F296 HydrophobicContact CB-CD2 4.12Å; H291-F296 HydrophobicContact CB-CE2 3.46Å; H291-F296 VanDerWaalsContact CB-CE2 3.46Å; H291-F296 HydrophobicContact CB-CZ 4.37Å; H291-F296 AromaticContact CD2-CE2 3.45Å; H291-F296 VanDerWaalsContact CD2-CE2 3.45Å; H291-F296 WeakPolarHBondContact CD2-CE2 3.35Å; H291-F296 AromaticContact CD2-CZ 3.98Å; H291-F296 AromaticContact CG-CE2 3.4Å; H291-F296 AromaticContact CG-CZ 3.97Å; P293-F296 WeakPolarHBondContact O-CB 3.43Å; P293-F296 PolarHBondContact O-N 2.97Å; E294-F296 VanDerWaalsContact C-N 3.27Å; E294-F296 PolarHBondContact O-N 3.22Å; F296-Q298 PolarHBondContact O-N 3.36Å; F296-Q298 VanDerWaalsContact O-N 3.13Å; F296-F299 AromaticContact CD1-CD2 3.95Å; F296-F299 HydrophobicContact CD1-CD2 3.95Å; F296-F299 HydrophobicContact CD2-CD2 4.08Å; F296-F299 AromaticContact CD2-CE2 3.93Å; F296-F299 HydrophobicContact CD2-CE2 3.93Å; F296-F299 AromaticContact CE1-CD2 3.88Å; F296-F299 HydrophobicContact CE1-CD2 3.88Å; F296-F299 HydrophobicContact CE1-CE2 4.33Å; F296-F299 AromaticContact CE2-CD2 3.96Å; F296-F299 HydrophobicContact CE2-CD2 3.96Å; F296-F299 AromaticContact CE2-CE2 3.62Å; F296-F299 HydrophobicContact CE2-CE2 3.62Å; F296-F299 HydrophobicContact CG-CD2 4.06Å; F296-F299 HydrophobicContact CG-CE2 4.38Å; F296-F299 AromaticContact CZ-CD2 3.9Å; F296-F299 HydrophobicContact CZ-CD2 3.9Å; F296-F299 AromaticContact CZ-CE2 3.87Å; F296-F299 HydrophobicContact CZ-CE2 3.87Å; F296-F299 PolarHBondContact O-N 2.87Å; F296-F332 HydrophobicContact CD2-CE1 4.26Å; F296-F332 AromaticContact CD2-CZ 3.86Å; F296-F332 HydrophobicContact CD2-CZ 3.86Å; F296-F332 HydrophobicContact CE2-CZ 4.21Å; F296-F332 HydrophobicContact CG-CE1 4.24Å; F296-F332 HydrophobicContact CG-CZ 4.29Å; F296-I336 HydrophobicContact CB-CD1 3.81Å; F296-I336 HydrophobicContact CB-CG1 4.15Å; F296-I336 HydrophobicContact CG-CD1 4.41Å
297	S	73.5	Confident	82.4	Confident	13 Å²	13	42.7 Å²	42.7	9%	0.091	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-27	176.6	67.5	0	0	0	0	112.2	E294 D295 Q304	E294-S297 PolarHBondContact O-N 3.05Å; E294-S297 PolarHBondContact O-OG 3.25Å; D295-S297 VanDerWaalsContact C-N 3.29Å; D295-S297 PolarHBondContact O-N 3.39Å; S297-Q304 VanDerWaalsContact O-CG 3.27Å; S297-Q304 WeakPolarHBondContact O-CG 3.49Å; S297-Q304 PolarHBondContact O-N 2.92Å
298	Q	76.8	Confident	82	Confident	148 Å²	148	44.6 Å²	44.6	69%	0.692	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-15.2	-176.6	-56.1	-176.2	12	0	0	113.7	D295 F296 D300	D295-Q298 PolarHBondContact O-N 3.42Å; F296-Q298 PolarHBondContact O-N 3.36Å; F296-Q298 VanDerWaalsContact O-N 3.13Å; Q298-D300 VanDerWaalsContact C-N 3.35Å; Q298-D300 PolarHBondContact O-N 3.39Å
299	F	77.7	Confident	81.8	Confident	82 Å²	82	47.9 Å²	47.9	36%	0.36	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-25.8	-172.8	-73.3	4	0	0	0	113.8	D252 V253 D295 F296	D252-F299 HydrophobicContact CB-CD2 4.46Å; D252-F299 HydrophobicContact CB-CE2 4.36Å; V253-F299 HydrophobicContact CG2-CB 3.91Å; D295-F299 HydrophobicContact CB-CE1 4.4Å; D295-F299 HydrophobicContact CB-CZ 4.36Å; D295-F299 VanDerWaalsContact O-CD1 3.27Å; D295-F299 WeakPolarHBondContact O-CD1 3.07Å; D295-F299 WeakPolarHBondContact O-CE1 3.4Å; F296-F299 AromaticContact CD1-CD2 3.95Å; F296-F299 HydrophobicContact CD1-CD2 3.95Å; F296-F299 HydrophobicContact CD2-CD2 4.08Å; F296-F299 AromaticContact CD2-CE2 3.93Å; F296-F299 HydrophobicContact CD2-CE2 3.93Å; F296-F299 AromaticContact CE1-CD2 3.88Å; F296-F299 HydrophobicContact CE1-CD2 3.88Å; F296-F299 HydrophobicContact CE1-CE2 4.33Å; F296-F299 AromaticContact CE2-CD2 3.96Å; F296-F299 HydrophobicContact CE2-CD2 3.96Å; F296-F299 AromaticContact CE2-CE2 3.62Å; F296-F299 HydrophobicContact CE2-CE2 3.62Å; F296-F299 HydrophobicContact CG-CD2 4.06Å; F296-F299 HydrophobicContact CG-CE2 4.38Å; F296-F299 AromaticContact CZ-CD2 3.9Å; F296-F299 HydrophobicContact CZ-CD2 3.9Å; F296-F299 AromaticContact CZ-CE2 3.87Å; F296-F299 HydrophobicContact CZ-CE2 3.87Å; F296-F299 PolarHBondContact O-N 2.87Å
300	D	77.1	Confident	81.6	Confident	16 Å²	16	50.1 Å²	50.1	9%	0.086	24%	0.243	C	C	.	.			trans	-141.2	134.3	177.2	-162.8	-32	0	0	0	109.7	V253 Q298 R302 H303 Q304	V253-D300 HydrophobicContact CG1-CB 4.4Å; V253-D300 HydrophobicContact CG2-CB 4.42Å; Q298-D300 VanDerWaalsContact C-N 3.35Å; Q298-D300 PolarHBondContact O-N 3.39Å; D300-R302 PolarHBondContact O-N 3.49Å; D300-R302 VanDerWaalsContact O-N 3.13Å; D300-R302 PolarHBondContact OD1-N 3.37Å; D300-H303 PolarHBondContact O-N 2.93Å; D300-Q304 PolarHBondContact O-N 3.37Å
301	Y	73.8	Confident	81.6	Confident	38 Å²	38	48 Å²	48	15%	0.149	23%	0.228	C	C	.	.	H	α-helix	trans	-59.5	-24.7	175.8	77.3	-79.8	0	0	0	112.6	W88 T89 E137 H303 Q304	W88-Y301 HydrophobicContact CB-CD2 4.2Å; W88-Y301 HydrophobicContact CB-CE2 4.19Å; T89-Y301 HydrophobicContact CG2-CD2 4.18Å; T89-Y301 HydrophobicContact CG2-CG 4.28Å; E137-Y301 PolarHBondContact OE1-OH 2.72Å; E137-Y301 PolarHBondContact OE2-OH 2.86Å; Y301-H303 PolarHBondContact O-N 3.2Å; Y301-Q304 WeakPolarHBondContact O-CB 3.12Å; Y301-Q304 PolarHBondContact O-N 3.02Å
302	R	72.9	Confident	81.7	Confident	40 Å²	40	46.4 Å²	46.4	15%	0.151	22%	0.221	C	C	.	.	H	α-helix	trans	-69.3	-17.8	174.3	-64.5	177.5	175.1	-169.9	-7.6	113.3	E177 D300	E177-R302 IonicContact OE1-CZ 2.73Å; E177-R302 IonicContact OE1-NH1 3.27Å; E177-R302 PolarHBondContact OE1-NH1 3.14Å; E177-R302 IonicContact OE2-CZ 3.48Å; E177-R302 VanDerWaalsContact OE2-CZ 3.27Å; E177-R302 IonicContact OE2-NH1 2.87Å; E177-R302 PolarHBondContact OE2-NH1 3.35Å; E177-R302 IonicContact OE2-NH2 3.37Å; E177-R302 PolarHBondContact OE2-NH2 3.46Å; D300-R302 PolarHBondContact O-N 3.49Å; D300-R302 VanDerWaalsContact O-N 3.13Å; D300-R302 PolarHBondContact OD1-N 3.37Å
303	H	71.9	Confident	81.8	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-93.3	-25.3	170.7	-63.2	140.4	0	0	0	112.7	Y256 Y257 D300 Y301 Q305 G306 R307	Y256-H303 AromaticContact CE1-NE2 3.97Å; Y257-H303 AromaticContact CE1-NE2 3.8Å; Y257-H303 AromaticContact CZ-CE1 3.8Å; Y257-H303 AromaticContact CZ-NE2 3.7Å; Y257-H303 PolarHBondContact OH-CE1 3.48Å; Y257-H303 PolarHBondContact OH-NE2 3.12Å; D300-H303 PolarHBondContact O-N 2.93Å; Y301-H303 PolarHBondContact O-N 3.2Å; H303-Q305 PolarHBondContact O-N 3.34Å; H303-Q305 VanDerWaalsContact O-N 3.14Å; H303-G306 PolarHBondContact O-N 2.94Å; H303-R307 PolarHBondContact NE2-NH2 3.41Å
304	Q	71.4	Confident	81.9	Confident	82 Å²	82	46.9 Å²	46.9	38%	0.383	23%	0.227	S	C	.	.	H	α-helix	trans	-58.1	-30	-179	-70.1	177.1	-8.6	0	0	113.7	S297 D300 Y301	S297-Q304 VanDerWaalsContact O-CG 3.27Å; S297-Q304 WeakPolarHBondContact O-CG 3.49Å; S297-Q304 PolarHBondContact O-N 2.92Å; D300-Q304 PolarHBondContact O-N 3.37Å; Y301-Q304 WeakPolarHBondContact O-CB 3.12Å; Y301-Q304 PolarHBondContact O-N 3.02Å
305	Q	73.5	Confident	82.4	Confident	22 Å²	22	43.7 Å²	43.7	10%	0.103	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-2.4	176.2	-58.7	-61	-32.8	0	0	113.4	W88 T90 H303 Q344	W88-Q305 WeakPolarHBondContact O-CG 3.47Å; W88-Q305 PolarHBondContact O-NE2 3.32Å; T90-Q305 PolarHBondContact O-NE2 3.12Å; T90-Q305 VanDerWaalsContact O-NE2 3.08Å; H303-Q305 PolarHBondContact O-N 3.34Å; H303-Q305 VanDerWaalsContact O-N 3.14Å; Q305-Q344 VanDerWaalsContact CA-NE2 3.31Å; Q305-Q344 PolarHBondContact O-NE2 3.15Å
306	G	78.9	Confident	82.8	Confident	12 Å²	12	41.7 Å²	41.7	12%	0.124	20%	0.2	C	C	.	.			trans	67.2	-175.5	-171	0	0	0	0	0	112	H303 E337	H303-G306 PolarHBondContact O-N 2.94Å; G306-E337 VanDerWaalsContact CA-OE1 3.3Å; G306-E337 WeakPolarHBondContact CA-OE1 3.29Å; G306-E337 VanDerWaalsContact CA-OE2 3.27Å; G306-E337 WeakPolarHBondContact CA-OE2 3.47Å
307	R	85.4	Confident	83.3	Confident	23 Å²	23	45.5 Å²	45.5	9%	0.087	23%	0.225	C	C	.	.			trans	-97.3	164	-178.7	-62.3	-70.2	178.4	176.6	-2.2	111.9	Y257 H303 W311 L312 E337 K341	Y257-R307 PolarHBondContact OH-NH2 3.02Å; H303-R307 PolarHBondContact NE2-NH2 3.41Å; R307-W311 HydrophobicContact CB-CB 4.3Å; R307-W311 HydrophobicContact CB-CD2 3.99Å; R307-W311 HydrophobicContact CB-CE3 3.52Å; R307-W311 HydrophobicContact CB-CG 4.34Å; R307-W311 HydrophobicContact CB-CZ3 4.18Å; R307-W311 HydrophobicContact CG-CD2 3.85Å; R307-W311 HydrophobicContact CG-CE3 3.43Å; R307-W311 VanDerWaalsContact CG-CE3 3.43Å; R307-W311 HydrophobicContact CG-CH2 4.24Å; R307-W311 HydrophobicContact CG-CZ3 3.67Å; R307-L312 HydrophobicContact CB-CD2 3.93Å; R307-L312 HydrophobicContact CB-CG 4.02Å; R307-E337 WeakPolarHBondContact CG-OE1 3.4Å; R307-E337 PolarHBondContact N-OE1 2.73Å; R307-E337 PolarHBondContact N-OE2 3.25Å; R307-K341 PolarHBondContact O-NZ 3.37Å; R307-K341 VanDerWaalsContact O-NZ 3.12Å
308	S	84.1	Confident	84.4	Confident	39 Å²	39	45.1 Å²	45.1	27%	0.273	22%	0.222	S	C	.	.			trans	-76.2	160.1	174.9	76.8	0	0	0	0	110.3	E310 W311 L312	S308-E310 VanDerWaalsContact C-N 3.29Å; S308-E310 WeakPolarHBondContact CB-OE2 3.44Å; S308-E310 PolarHBondContact O-N 2.89Å; S308-E310 PolarHBondContact OG-OE2 3.33Å; S308-W311 PolarHBondContact O-N 3.44Å; S308-W311 VanDerWaalsContact O-N 3.15Å; S308-L312 WeakPolarHBondContact O-CG 3.32Å; S308-L312 PolarHBondContact O-N 3.04Å; S308-L312 VanDerWaalsContact O-N 3.07Å
309	K	89.4	Confident	85.3	Confident	69 Å²	69	38.3 Å²	38.3	30%	0.3	19%	0.19	S	C	.	.	H	α-helix	trans	-53	-48.2	179.2	179.9	174.2	180	163.5	0	111.7	W311 L312 E313 L349 E352 I353	K309-W311 VanDerWaalsContact C-N 3.28Å; K309-W311 PolarHBondContact O-N 3.04Å; K309-L312 PolarHBondContact O-N 2.83Å; K309-L312 VanDerWaalsContact O-N 3.15Å; K309-E313 WeakPolarHBondContact CE-OE1 3.23Å; K309-E313 WeakPolarHBondContact O-CG 3.5Å; K309-E313 PolarHBondContact O-N 3.08Å; K309-L349 HydrophobicContact CB-CD1 4.41Å; K309-E352 IonicContact NZ-OE2 2.56Å; K309-E352 PolarHBondContact NZ-OE2 3.07Å; K309-I353 HydrophobicContact CD-CG2 4.39Å; K309-I353 HydrophobicContact CG-CG2 3.76Å
310	E	88.6	Confident	85.9	Confident	111 Å²	111	38.8 Å²	38.8	52%	0.519	20%	0.204	S	C	.	.	H	α-helix	trans	-63.9	-35.7	-177.2	-50.9	72	-154.7	0	0	111.5	S308 L314	S308-E310 VanDerWaalsContact C-N 3.29Å; S308-E310 WeakPolarHBondContact CB-OE2 3.44Å; S308-E310 PolarHBondContact O-N 2.89Å; S308-E310 PolarHBondContact OG-OE2 3.33Å; E310-L314 WeakPolarHBondContact O-CG 3.48Å; E310-L314 PolarHBondContact O-N 3.15Å
311	W	91.1	Very high	86.6	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-72.5	-36.9	178.5	-168.7	97.1	0	0	0	111.1	M224 Y225 L260 R307 S308 K309 L314 L315 H333	M224-W311 HydrophobicContact CE-CZ2 3.57Å; M224-W311 HydrophobicContact SD-CZ2 4.07Å; Y225-W311 AromaticContact CE2-CD1 4Å; L260-W311 HydrophobicContact CD2-CH2 3.76Å; L260-W311 HydrophobicContact CD2-CZ2 3.73Å; R307-W311 HydrophobicContact CB-CB 4.3Å; R307-W311 HydrophobicContact CB-CD2 3.99Å; R307-W311 HydrophobicContact CB-CE3 3.52Å; R307-W311 HydrophobicContact CB-CG 4.34Å; R307-W311 HydrophobicContact CB-CZ3 4.18Å; R307-W311 HydrophobicContact CG-CD2 3.85Å; R307-W311 HydrophobicContact CG-CE3 3.43Å; R307-W311 VanDerWaalsContact CG-CE3 3.43Å; R307-W311 HydrophobicContact CG-CH2 4.24Å; R307-W311 HydrophobicContact CG-CZ3 3.67Å; S308-W311 PolarHBondContact O-N 3.44Å; S308-W311 VanDerWaalsContact O-N 3.15Å; K309-W311 VanDerWaalsContact C-N 3.28Å; K309-W311 PolarHBondContact O-N 3.04Å; W311-L314 WeakPolarHBondContact O-CB 3.32Å; W311-L314 PolarHBondContact O-N 2.74Å; W311-L315 HydrophobicContact CE3-CD1 4.21Å; W311-L315 HydrophobicContact CE3-CG 4.45Å; W311-L315 HydrophobicContact CH2-CD1 3.83Å; W311-L315 HydrophobicContact CH2-CG 4.25Å; W311-L315 HydrophobicContact CZ3-CD1 3.3Å; W311-L315 HydrophobicContact CZ3-CG 3.83Å; W311-H333 AromaticContact CH2-CE1 3.6Å; W311-H333 AromaticContact CH2-NE2 3.83Å; W311-H333 AromaticContact CZ3-CD2 3.83Å; W311-H333 AromaticContact CZ3-CE1 3.45Å; W311-H333 VanDerWaalsContact CZ3-CE1 3.45Å; W311-H333 WeakPolarHBondContact CZ3-CE1 3.19Å; W311-H333 AromaticContact CZ3-NE2 3.19Å; W311-H333 WeakPolarHBondContact CZ3-NE2 3.42Å
312	L	93.4	Very high	87.2	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-70.5	-35.1	176.1	-66.2	174.7	0	0	0	112.4	R307 S308 K309 L314 L315 M316 F334 E337 L349 L350 I353	R307-L312 HydrophobicContact CB-CD2 3.93Å; R307-L312 HydrophobicContact CB-CG 4.02Å; S308-L312 WeakPolarHBondContact O-CG 3.32Å; S308-L312 PolarHBondContact O-N 3.04Å; S308-L312 VanDerWaalsContact O-N 3.07Å; K309-L312 PolarHBondContact O-N 2.83Å; K309-L312 VanDerWaalsContact O-N 3.15Å; L312-L314 PolarHBondContact O-N 3.49Å; L312-L315 WeakPolarHBondContact O-CB 3.39Å; L312-L315 PolarHBondContact O-N 2.74Å; L312-M316 PolarHBondContact O-N 2.93Å; L312-F334 HydrophobicContact CD2-CE1 4.33Å; L312-E337 HydrophobicContact CD2-CG 3.74Å; L312-L349 HydrophobicContact CD1-CD2 3.66Å; L312-L350 HydrophobicContact CD1-CD2 4.27Å; L312-I353 HydrophobicContact CB-CD1 3.86Å; L312-I353 HydrophobicContact CD1-CD1 4.36Å
313	E	94.5	Very high	88	Confident	86 Å²	86	48 Å²	48	40%	0.402	25%	0.245	S	C	.	.	H	α-helix	trans	-60.1	-33.8	173.2	-74.2	171.3	170.2	0	0	112	K309 L315 M316 P317 I353	K309-E313 WeakPolarHBondContact CE-OE1 3.23Å; K309-E313 WeakPolarHBondContact O-CG 3.5Å; K309-E313 PolarHBondContact O-N 3.08Å; E313-L315 PolarHBondContact O-N 3.16Å; E313-M316 WeakPolarHBondContact O-CB 3.43Å; E313-M316 PolarHBondContact O-N 3.21Å; E313-P317 WeakPolarHBondContact O-CD 3.22Å; E313-I353 HydrophobicContact CG-CB 4.32Å; E313-I353 HydrophobicContact CG-CG2 3.93Å
314	L	93.4	Very high	89	Confident	59 Å²	59	53.1 Å²	53.1	31%	0.309	27%	0.265	S	S	.	.	H	α-helix	trans	-66.9	-23.5	174.9	-65.9	171.8	0	0	0	113.6	M224 Y225 E310 W311 L312	M224-L314 HydrophobicContact CB-CB 4.44Å; M224-L314 HydrophobicContact CB-CD1 4.27Å; Y225-L314 HydrophobicContact CD1-CD1 3.93Å; Y225-L314 HydrophobicContact CD2-CD1 3.76Å; Y225-L314 HydrophobicContact CE1-CD1 3.56Å; Y225-L314 HydrophobicContact CE2-CD1 3.38Å; Y225-L314 HydrophobicContact CG-CD1 4.02Å; E310-L314 WeakPolarHBondContact O-CG 3.48Å; E310-L314 PolarHBondContact O-N 3.15Å; W311-L314 WeakPolarHBondContact O-CB 3.32Å; W311-L314 PolarHBondContact O-N 2.74Å; L312-L314 PolarHBondContact O-N 3.49Å
315	L	94.3	Very high	90.1	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-83.5	-22.7	175.8	-79.2	-174.1	0	0	0	113.4	M224 L260 W311 L312 E313 P317 M318 H333 F334	M224-L315 HydrophobicContact SD-CD2 4.18Å; L260-L315 HydrophobicContact CD1-CD2 3.61Å; W311-L315 HydrophobicContact CE3-CD1 4.21Å; W311-L315 HydrophobicContact CE3-CG 4.45Å; W311-L315 HydrophobicContact CH2-CD1 3.83Å; W311-L315 HydrophobicContact CH2-CG 4.25Å; W311-L315 HydrophobicContact CZ3-CD1 3.3Å; W311-L315 HydrophobicContact CZ3-CG 3.83Å; L312-L315 WeakPolarHBondContact O-CB 3.39Å; L312-L315 PolarHBondContact O-N 2.74Å; E313-L315 PolarHBondContact O-N 3.16Å; L315-P317 VanDerWaalsContact C-CD 3.44Å; L315-P317 VanDerWaalsContact C-N 3.34Å; L315-M318 HydrophobicContact CD2-CE 4.34Å; L315-M318 HydrophobicContact CD2-SD 3.56Å; L315-M318 VanDerWaalsContact CD2-SD 3.56Å; L315-M318 VanDerWaalsContact O-CB 3.29Å; L315-M318 WeakPolarHBondContact O-CB 3.35Å; L315-M318 PolarHBondContact O-N 3.06Å; L315-H333 HydrophobicContact CD1-CB 3.97Å; L315-H333 WeakPolarHBondContact CD1-CD2 3.32Å; L315-F334 HydrophobicContact CB-CE2 4.14Å; L315-F334 HydrophobicContact CB-CZ 4.31Å
316	M	94.9	Very high	91.2	Very high	35 Å²	35	49.5 Å²	49.5	17%	0.172	25%	0.248	C	C	.	.	H	α-helix	trans	-52.9	-42.8	-175.7	-73	-63.1	-62.9	0	0	113.8	L312 E313 M318 L319 F334 G354 A355 A358	L312-M316 PolarHBondContact O-N 2.93Å; E313-M316 WeakPolarHBondContact O-CB 3.43Å; E313-M316 PolarHBondContact O-N 3.21Å; M316-M318 PolarHBondContact O-N 3.44Å; M316-M318 VanDerWaalsContact O-N 3.13Å; M316-L319 PolarHBondContact O-N 3.03Å; M316-L319 VanDerWaalsContact O-N 3.13Å; M316-L319 HydrophobicContact SD-CD1 4.13Å; M316-F334 HydrophobicContact CG-CZ 4.41Å; M316-F334 HydrophobicContact SD-CE1 4.42Å; M316-F334 HydrophobicContact SD-CE2 4.17Å; M316-F334 HydrophobicContact SD-CZ 3.63Å; M316-G354 WeakPolarHBondContact CE-O 3.3Å; M316-A355 HydrophobicContact SD-CB 3.92Å; M316-A358 HydrophobicContact CE-CB 3.73Å
317	P	93.9	Very high	92	Very high	80 Å²	80	50.4 Å²	50.4	52%	0.519	25%	0.248	S	C	.	.	H	α-helix	trans	-60.1	-23.4	176.6	-24.8	35.6	0	0	0	114.4	E313 L315 S320 A321	E313-P317 WeakPolarHBondContact O-CD 3.22Å; L315-P317 VanDerWaalsContact C-CD 3.44Å; L315-P317 VanDerWaalsContact C-N 3.34Å; P317-S320 PolarHBondContact O-N 3.15Å; P317-S320 PolarHBondContact O-OG 3.23Å; P317-A321 PolarHBondContact O-N 3.25Å
318	M	95.5	Very high	92.5	Very high	5 Å²	5	49.3 Å²	49.3	3%	0.025	24%	0.244	C	C	.	.	H	α-helix	trans	-73.9	-27.7	178.9	-65.7	177.9	47.6	0	0	112.5	L260 C263 A264 L315 M316 S320 A321 P326 R327 M329 A330	L260-M318 HydrophobicContact CD1-CE 4.29Å; L260-M318 HydrophobicContact CD1-SD 4.38Å; C263-M318 HydrophobicContact CB-CE 3.45Å; C263-M318 VanDerWaalsContact CB-CE 3.45Å; A264-M318 HydrophobicContact CB-SD 4.41Å; L315-M318 HydrophobicContact CD2-CE 4.34Å; L315-M318 HydrophobicContact CD2-SD 3.56Å; L315-M318 VanDerWaalsContact CD2-SD 3.56Å; L315-M318 VanDerWaalsContact O-CB 3.29Å; L315-M318 WeakPolarHBondContact O-CB 3.35Å; L315-M318 PolarHBondContact O-N 3.06Å; M316-M318 PolarHBondContact O-N 3.44Å; M316-M318 VanDerWaalsContact O-N 3.13Å; M318-S320 VanDerWaalsContact C-N 3.25Å; M318-S320 PolarHBondContact O-N 2.82Å; M318-A321 WeakPolarHBondContact O-CB 3.34Å; M318-A321 PolarHBondContact O-N 2.94Å; M318-P326 HydrophobicContact CB-CB 4.19Å; M318-P326 HydrophobicContact CE-CB 4.11Å; M318-P326 HydrophobicContact CG-CB 4.43Å; M318-P326 CarbonylContact O-C 3.54Å; M318-R327 WeakPolarHBondContact O-CA 3.43Å; M318-R327 WeakPolarHBondContact O-CG 3.38Å; M318-R327 PolarHBondContact O-N 2.8Å; M318-M329 HydrophobicContact CE-CB 4.11Å; M318-M329 HydrophobicContact CE-CG 4.22Å; M318-A330 HydrophobicContact CB-CB 3.72Å; M318-A330 HydrophobicContact CE-CB 4.39Å
319	L	95	Very high	93.1	Very high	6 Å²	6	47.5 Å²	47.5	3%	0.031	23%	0.231	C	C	.	.	H	α-helix	trans	-67.2	-27.1	174.6	-71.5	174.2	0	0	0	112.4	M316 R327 A330 A331 F334 A358 L359 V362	M316-L319 PolarHBondContact O-N 3.03Å; M316-L319 VanDerWaalsContact O-N 3.13Å; M316-L319 HydrophobicContact SD-CD1 4.13Å; L319-R327 WeakPolarHBondContact O-CG 3.42Å; L319-A330 HydrophobicContact CD2-CB 3.69Å; L319-A330 HydrophobicContact CG-CB 3.89Å; L319-A331 HydrophobicContact CD2-CB 4.29Å; L319-F334 HydrophobicContact CD1-CD2 3.68Å; L319-F334 HydrophobicContact CD1-CE2 3.5Å; L319-F334 VanDerWaalsContact CD1-CE2 3.5Å; L319-F334 HydrophobicContact CD1-CZ 4.34Å; L319-F334 HydrophobicContact CD2-CD2 4.12Å; L319-F334 HydrophobicContact CG-CD2 4.1Å; L319-F334 HydrophobicContact CG-CE2 3.98Å; L319-A358 HydrophobicContact CB-CB 4.24Å; L319-A358 HydrophobicContact CD1-CB 3.66Å; L319-L359 HydrophobicContact CD1-CD2 4.4Å; L319-L359 HydrophobicContact CD1-CG 4.43Å; L319-L359 HydrophobicContact CD2-CD2 4.08Å; L319-V362 HydrophobicContact CB-CG2 4.18Å; L319-V362 HydrophobicContact CD2-CG2 4.09Å; L319-V362 VanDerWaalsContact O-CG2 3.26Å; L319-V362 WeakPolarHBondContact O-CG2 3.27Å
320	S	91.5	Very high	93.5	Very high	92 Å²	92	44.2 Å²	44.2	64%	0.643	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.8	9.4	177.1	59.1	0	0	0	0	113.5	P317 M318	P317-S320 PolarHBondContact O-N 3.15Å; P317-S320 PolarHBondContact O-OG 3.23Å; M318-S320 VanDerWaalsContact C-N 3.25Å; M318-S320 PolarHBondContact O-N 2.82Å
321	A	91.6	Very high	93.9	Very high	15 Å²	15	38.9 Å²	38.9	12%	0.124	19%	0.192	C	C	.	.			trans	-65.2	143.6	179	0	0	0	0	0	111.5	P317 M318 R323 P326 R327	P317-A321 PolarHBondContact O-N 3.25Å; M318-A321 WeakPolarHBondContact O-CB 3.34Å; M318-A321 PolarHBondContact O-N 2.94Å; A321-R323 VanDerWaalsContact C-N 3.26Å; A321-R323 PolarHBondContact O-N 3.03Å; A321-P326 HydrophobicContact CB-CB 3.83Å; A321-P326 HydrophobicContact CB-CG 4.26Å; A321-R327 HydrophobicContact CB-CG 4.41Å; A321-R327 WeakPolarHBondContact O-CD 3.45Å; A321-R327 WeakPolarHBondContact O-CG 3.16Å; A321-R327 PolarHBondContact O-NE 2.84Å
322	K	87.2	Confident	94.1	Very high	200 Å²	200	38.9 Å²	38.9	87%	0.87	19%	0.192	S	C	*	.	S	Bend	trans	-62	-32.9	179.6	-174.5	179.7	177.9	-174.2	0	113.1
323	R	89.6	Confident	94.2	Very high	72 Å²	72	38.9 Å²	38.9	27%	0.272	19%	0.192	S	C	.	.	S	Bend	trans	-84.6	151.3	-178.5	-73.8	-159.3	158.3	-170	-5.3	111.7	E272 T276 A321 P326 R327	E272-R323 IonicContact OE1-CZ 2.79Å; E272-R323 IonicContact OE1-NE 3.81Å; E272-R323 PolarHBondContact OE1-NE 3.31Å; E272-R323 IonicContact OE1-NH2 3.57Å; E272-R323 PolarHBondContact OE1-NH2 3.28Å; T276-R323 PolarHBondContact OG1-NH1 2.92Å; A321-R323 VanDerWaalsContact C-N 3.26Å; A321-R323 PolarHBondContact O-N 3.03Å; R323-P326 HydrophobicContact CB-CG 4.34Å; R323-R327 WeakPolarHBondContact O-CG 3.49Å; R323-R327 PolarHBondContact O-NE 3.39Å
324	R	91.4	Very high	94.3	Very high	107 Å²	107	34.8 Å²	34.8	40%	0.404	17%	0.173	S	C	.	.	H	α-helix	trans	-73.9	-35.5	-178.4	63.8	179.4	-177.7	178.2	7	112.7	E285 R327 S328	E285-R324 WeakPolarHBondContact OE1-CD 3.16Å; E285-R324 WeakPolarHBondContact OE1-CG 3.33Å; E285-R324 IonicContact OE1-NE 2.74Å; E285-R324 IonicContact OE2-CZ 3.44Å; E285-R324 IonicContact OE2-NE 3.47Å; E285-R324 IonicContact OE2-NH2 3.4Å; R324-R327 PolarHBondContact O-N 2.85Å; R324-S328 WeakPolarHBondContact O-CB 3.37Å; R324-S328 PolarHBondContact O-N 3.23Å; R324-S328 PolarHBondContact O-OG 3.15Å; R324-S328 VanDerWaalsContact O-OG 3.08Å
325	E	94.4	Very high	94.4	Very high	28 Å²	28	32 Å²	32	13%	0.131	16%	0.158	C	C	.	.	H	α-helix	trans	-63	-46.3	-173.9	-56.3	77.7	-176.8	0	0	112.3	L281 V284 S328 M329	L281-E325 HydrophobicContact CD2-CB 4.4Å; V284-E325 HydrophobicContact CB-CB 4.37Å; V284-E325 HydrophobicContact CG1-CB 4.35Å; E325-S328 PolarHBondContact O-N 2.77Å; E325-M329 WeakPolarHBondContact O-CB 3.34Å; E325-M329 PolarHBondContact O-N 3Å
326	P	96.3	Very high	94.3	Very high	1 Å²	1	32 Å²	32	1%	0.006	16%	0.158	C	C	.	.	H	α-helix	trans	-62.9	-40.2	173.8	-23.2	35.7	0	0	0	113.6	C263 V266 M318 A321 R323 M329 A330	C263-P326 HydrophobicContact CB-CB 4.27Å; C263-P326 HydrophobicContact CB-CG 4.37Å; V266-P326 HydrophobicContact CG1-CG 3.29Å; M318-P326 HydrophobicContact CB-CB 4.19Å; M318-P326 HydrophobicContact CE-CB 4.11Å; M318-P326 HydrophobicContact CG-CB 4.43Å; M318-P326 CarbonylContact O-C 3.54Å; A321-P326 HydrophobicContact CB-CB 3.83Å; A321-P326 HydrophobicContact CB-CG 4.26Å; R323-P326 HydrophobicContact CB-CG 4.34Å; P326-M329 PolarHBondContact O-N 2.91Å; P326-A330 WeakPolarHBondContact O-CB 3.4Å; P326-A330 PolarHBondContact O-N 3.3Å
327	R	95.7	Very high	94.3	Very high	31 Å²	31	30.3 Å²	30.3	12%	0.117	15%	0.15	C	C	.	.	H	α-helix	trans	-62	-46.7	177.2	-69.6	-177.2	-73	145.5	11.1	110.9	M318 L319 A321 R323 R324 A330 A331 M365 D367 A370	M318-R327 WeakPolarHBondContact O-CA 3.43Å; M318-R327 WeakPolarHBondContact O-CG 3.38Å; M318-R327 PolarHBondContact O-N 2.8Å; L319-R327 WeakPolarHBondContact O-CG 3.42Å; A321-R327 HydrophobicContact CB-CG 4.41Å; A321-R327 WeakPolarHBondContact O-CD 3.45Å; A321-R327 WeakPolarHBondContact O-CG 3.16Å; A321-R327 PolarHBondContact O-NE 2.84Å; R323-R327 WeakPolarHBondContact O-CG 3.49Å; R323-R327 PolarHBondContact O-NE 3.39Å; R324-R327 PolarHBondContact O-N 2.85Å; R327-A330 PolarHBondContact O-N 3.16Å; R327-A331 VanDerWaalsContact O-CB 3.24Å; R327-A331 WeakPolarHBondContact O-CB 3.28Å; R327-A331 PolarHBondContact O-N 3.42Å; R327-M365 HydrophobicContact CB-CE 4.47Å; R327-M365 PolarHBondContact NH1-SD 2.88Å; R327-D367 IonicContact CZ-OD2 2.73Å; R327-D367 IonicContact NH1-OD2 3.26Å; R327-D367 PolarHBondContact NH1-OD2 3.49Å; R327-D367 IonicContact NH2-OD1 3.75Å; R327-D367 IonicContact NH2-OD2 3.7Å; R327-D367 PolarHBondContact NH2-OD2 3.41Å; R327-A370 HydrophobicContact CB-CB 3.98Å
328	S	96.4	Very high	94.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-59.5	-45.8	175.3	-64.4	0	0	0	0	111.7	E285 R324 E325 F332 A370	E285-S328 PolarHBondContact OE1-OG 2.97Å; R324-S328 WeakPolarHBondContact O-CB 3.37Å; R324-S328 PolarHBondContact O-N 3.23Å; R324-S328 PolarHBondContact O-OG 3.15Å; R324-S328 VanDerWaalsContact O-OG 3.08Å; E325-S328 PolarHBondContact O-N 2.77Å; S328-F332 VanDerWaalsContact O-CB 3.32Å; S328-F332 WeakPolarHBondContact O-CB 3.45Å; S328-F332 PolarHBondContact O-N 2.53Å; S328-A370 PolarHBondContact OG-N 3.47Å
329	M	97	Very high	94.1	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-65	-43.8	179.4	-172.7	62.7	-168.2	0	0	112.4	Y256 C259 L260 C263 V284 L288 M318 E325 P326 H333	Y256-M329 HydrophobicContact CD1-CE 4.47Å; Y256-M329 HydrophobicContact CD2-CE 3.76Å; Y256-M329 HydrophobicContact CE1-CE 4.14Å; Y256-M329 HydrophobicContact CE2-CE 3.35Å; Y256-M329 HydrophobicContact CG-CE 4.26Å; Y256-M329 WeakPolarHBondContact O-CE 3.4Å; C259-M329 HydrophobicContact CB-CE 4.28Å; C259-M329 HydrophobicContact CB-SD 4.09Å; L260-M329 HydrophobicContact CB-CE 3.69Å; L260-M329 HydrophobicContact CD1-CE 4.38Å; L260-M329 HydrophobicContact CD1-CG 4.32Å; C263-M329 HydrophobicContact CB-CB 4.1Å; C263-M329 HydrophobicContact CB-CG 4.18Å; V284-M329 HydrophobicContact CG1-CB 4.39Å; L288-M329 HydrophobicContact CD1-CB 4.46Å; L288-M329 HydrophobicContact CD1-SD 4.41Å; L288-M329 HydrophobicContact CD2-SD 3.77Å; M318-M329 HydrophobicContact CE-CB 4.11Å; M318-M329 HydrophobicContact CE-CG 4.22Å; E325-M329 WeakPolarHBondContact O-CB 3.34Å; E325-M329 PolarHBondContact O-N 3Å; P326-M329 PolarHBondContact O-N 2.91Å; M329-H333 PolarHBondContact O-N 3.2Å
330	A	97.1	Very high	93.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-67.1	-46.7	177.7	0	0	0	0	0	111.5	M318 L319 P326 R327 F332 H333 F334	M318-A330 HydrophobicContact CB-CB 3.72Å; M318-A330 HydrophobicContact CE-CB 4.39Å; L319-A330 HydrophobicContact CD2-CB 3.69Å; L319-A330 HydrophobicContact CG-CB 3.89Å; P326-A330 WeakPolarHBondContact O-CB 3.4Å; P326-A330 PolarHBondContact O-N 3.3Å; R327-A330 PolarHBondContact O-N 3.16Å; A330-F332 VanDerWaalsContact C-N 3.31Å; A330-F332 PolarHBondContact O-N 2.86Å; A330-H333 PolarHBondContact O-N 2.94Å; A330-H333 VanDerWaalsContact O-N 3.12Å; A330-F334 WeakPolarHBondContact O-CD2 3.41Å; A330-F334 PolarHBondContact O-N 3.46Å
331	A	97	Very high	93.6	Very high	0 Å²	0	23 Å²	23	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-59.4	-41.7	176.7	0	0	0	0	0	111.9	L319 R327 F334 A335 V362 F373 A374	L319-A331 HydrophobicContact CD2-CB 4.29Å; R327-A331 VanDerWaalsContact O-CB 3.24Å; R327-A331 WeakPolarHBondContact O-CB 3.28Å; R327-A331 PolarHBondContact O-N 3.42Å; A331-F334 PolarHBondContact O-N 3.36Å; A331-A335 PolarHBondContact O-N 2.56Å; A331-V362 HydrophobicContact CB-CG1 4.3Å; A331-F373 HydrophobicContact CB-CB 3.87Å; A331-A374 HydrophobicContact CB-CB 4.27Å
332	F	96.3	Very high	93.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60.1	-46.5	173	-176.4	-90.6	0	0	0	111.8	Y256 L288 H291 P293 F296 S328 A330 A335 I336 F373	Y256-F332 HydrophobicContact CD2-CE1 4.23Å; Y256-F332 AromaticContact CE2-CD1 3.95Å; Y256-F332 HydrophobicContact CE2-CD1 3.95Å; Y256-F332 AromaticContact CE2-CE1 3.9Å; Y256-F332 HydrophobicContact CE2-CE1 3.9Å; L288-F332 HydrophobicContact CB-CD2 4.39Å; L288-F332 HydrophobicContact CD1-CB 4.42Å; L288-F332 HydrophobicContact CD2-CB 3.92Å; L288-F332 HydrophobicContact CD2-CD1 3.78Å; L288-F332 HydrophobicContact CD2-CD2 3.91Å; L288-F332 HydrophobicContact CD2-CE1 4.22Å; L288-F332 HydrophobicContact CD2-CE2 4.35Å; L288-F332 HydrophobicContact CD2-CG 3.61Å; L288-F332 HydrophobicContact CD2-CZ 4.5Å; H291-F332 HydrophobicContact CB-CE2 4.39Å; H291-F332 HydrophobicContact CB-CZ 4.18Å; P293-F332 HydrophobicContact CB-CE2 4.35Å; P293-F332 HydrophobicContact CG-CD2 3.73Å; P293-F332 HydrophobicContact CG-CE2 3.7Å; P293-F332 HydrophobicContact CG-CG 4.41Å; P293-F332 HydrophobicContact CG-CZ 4.36Å; F296-F332 HydrophobicContact CD2-CE1 4.26Å; F296-F332 AromaticContact CD2-CZ 3.86Å; F296-F332 HydrophobicContact CD2-CZ 3.86Å; F296-F332 HydrophobicContact CE2-CZ 4.21Å; F296-F332 HydrophobicContact CG-CE1 4.24Å; F296-F332 HydrophobicContact CG-CZ 4.29Å; S328-F332 VanDerWaalsContact O-CB 3.32Å; S328-F332 WeakPolarHBondContact O-CB 3.45Å; S328-F332 PolarHBondContact O-N 2.53Å; A330-F332 VanDerWaalsContact C-N 3.31Å; A330-F332 PolarHBondContact O-N 2.86Å; F332-A335 WeakPolarHBondContact O-CB 3.36Å; F332-A335 PolarHBondContact O-N 3.23Å; F332-I336 HydrophobicContact CD1-CD1 3.92Å; F332-I336 HydrophobicContact CD1-CG1 4.36Å; F332-I336 HydrophobicContact CE1-CD1 3.7Å; F332-I336 HydrophobicContact CE1-CG1 4.21Å; F332-I336 WeakPolarHBondContact O-CG1 3.18Å; F332-I336 PolarHBondContact O-N 3.35Å; F332-I336 VanDerWaalsContact O-N 3.16Å; F332-F373 HydrophobicContact CB-CD2 4.05Å; F332-F373 HydrophobicContact CB-CE2 4.42Å; F332-F373 HydrophobicContact CB-CG 4.16Å; F332-F373 AromaticContact CD2-CD1 3.84Å; F332-F373 HydrophobicContact CD2-CD1 3.84Å; F332-F373 HydrophobicContact CD2-CD2 4.2Å; F332-F373 AromaticContact CD2-CE1 3.56Å; F332-F373 HydrophobicContact CD2-CE1 3.56Å; F332-F373 AromaticContact CD2-CE2 3.93Å; F332-F373 HydrophobicContact CD2-CE2 3.93Å; F332-F373 HydrophobicContact CD2-CG 4.16Å; F332-F373 AromaticContact CD2-CZ 3.61Å; F332-F373 HydrophobicContact CD2-CZ 3.61Å; F332-F373 HydrophobicContact CE2-CE1 4.04Å; F332-F373 HydrophobicContact CE2-CZ 4.16Å
333	H	95.6	Very high	93.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.6	-43.6	177.5	-173.1	84.2	0	0	0	112.2	Y256 W311 L315 M329 A330 A335 I336 E337	Y256-H333 AromaticContact CZ-ND1 3.84Å; Y256-H333 WeakPolarHBondContact OH-CB 3.17Å; Y256-H333 PolarHBondContact OH-ND1 2.89Å; W311-H333 AromaticContact CH2-CE1 3.6Å; W311-H333 AromaticContact CH2-NE2 3.83Å; W311-H333 AromaticContact CZ3-CD2 3.83Å; W311-H333 AromaticContact CZ3-CE1 3.45Å; W311-H333 VanDerWaalsContact CZ3-CE1 3.45Å; W311-H333 WeakPolarHBondContact CZ3-CE1 3.19Å; W311-H333 AromaticContact CZ3-NE2 3.19Å; W311-H333 WeakPolarHBondContact CZ3-NE2 3.42Å; L315-H333 HydrophobicContact CD1-CB 3.97Å; L315-H333 WeakPolarHBondContact CD1-CD2 3.32Å; M329-H333 PolarHBondContact O-N 3.2Å; A330-H333 PolarHBondContact O-N 2.94Å; A330-H333 VanDerWaalsContact O-N 3.12Å; H333-A335 PolarHBondContact O-N 2.71Å; H333-I336 WeakPolarHBondContact O-CA 3.31Å; H333-I336 WeakPolarHBondContact O-CB 3.32Å; H333-I336 PolarHBondContact O-N 3.09Å; H333-E337 IonicContact CE1-OE1 3.2Å; H333-E337 VanDerWaalsContact NE2-CG 3.26Å; H333-E337 WeakPolarHBondContact NE2-CG 3.27Å; H333-E337 IonicContact NE2-OE1 3.82Å; H333-E337 PolarHBondContact NE2-OE1 3.46Å; H333-E337 PolarHBondContact O-N 3.14Å
334	F	96	Very high	92.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-65.1	-27.1	176.8	-80.9	-68.5	0	0	0	112.9	L312 L315 M316 L319 A330 A331 E337 A338 L350 I353 A355 L359	L312-F334 HydrophobicContact CD2-CE1 4.33Å; L315-F334 HydrophobicContact CB-CE2 4.14Å; L315-F334 HydrophobicContact CB-CZ 4.31Å; M316-F334 HydrophobicContact CG-CZ 4.41Å; M316-F334 HydrophobicContact SD-CE1 4.42Å; M316-F334 HydrophobicContact SD-CE2 4.17Å; M316-F334 HydrophobicContact SD-CZ 3.63Å; L319-F334 HydrophobicContact CD1-CD2 3.68Å; L319-F334 HydrophobicContact CD1-CE2 3.5Å; L319-F334 VanDerWaalsContact CD1-CE2 3.5Å; L319-F334 HydrophobicContact CD1-CZ 4.34Å; L319-F334 HydrophobicContact CD2-CD2 4.12Å; L319-F334 HydrophobicContact CG-CD2 4.1Å; L319-F334 HydrophobicContact CG-CE2 3.98Å; A330-F334 WeakPolarHBondContact O-CD2 3.41Å; A330-F334 PolarHBondContact O-N 3.46Å; A331-F334 PolarHBondContact O-N 3.36Å; F334-E337 PolarHBondContact O-N 2.9Å; F334-A338 WeakPolarHBondContact O-CB 3.42Å; F334-A338 PolarHBondContact O-N 3.27Å; F334-L350 HydrophobicContact CD1-CD2 4.15Å; F334-L350 HydrophobicContact CE1-CD2 4.28Å; F334-I353 HydrophobicContact CE1-CD1 3.89Å; F334-I353 HydrophobicContact CZ-CD1 4.43Å; F334-A355 HydrophobicContact CD1-CB 4.04Å; F334-A355 HydrophobicContact CE1-CB 3.73Å; F334-A355 HydrophobicContact CZ-CB 4.22Å; F334-L359 HydrophobicContact CB-CD1 4.2Å; F334-L359 HydrophobicContact CB-CD2 4.02Å
335	A	95.3	Very high	92.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-69.2	-37.5	169.8	0	0	0	0	0	112.6	P293 A331 F332 H333 S339 A377	P293-A335 HydrophobicContact CB-CB 3.62Å; P293-A335 HydrophobicContact CG-CB 3.69Å; A331-A335 PolarHBondContact O-N 2.56Å; F332-A335 WeakPolarHBondContact O-CB 3.36Å; F332-A335 PolarHBondContact O-N 3.23Å; H333-A335 PolarHBondContact O-N 2.71Å; A335-S339 PolarHBondContact O-N 3.3Å; A335-S339 PolarHBondContact O-OG 3.41Å; A335-A377 HydrophobicContact CB-CB 4.09Å
336	I	93.7	Very high	92.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60.2	-51.8	170.6	-56.2	170.2	0	0	0	109.3	Y256 P293 F296 F332 H333 A338 S339 V340	Y256-I336 HydrophobicContact CE2-CD1 4.05Å; P293-I336 HydrophobicContact CB-CG1 3.98Å; P293-I336 WeakPolarHBondContact O-CG1 3.32Å; F296-I336 HydrophobicContact CB-CD1 3.81Å; F296-I336 HydrophobicContact CB-CG1 4.15Å; F296-I336 HydrophobicContact CG-CD1 4.41Å; F332-I336 HydrophobicContact CD1-CD1 3.92Å; F332-I336 HydrophobicContact CD1-CG1 4.36Å; F332-I336 HydrophobicContact CE1-CD1 3.7Å; F332-I336 HydrophobicContact CE1-CG1 4.21Å; F332-I336 WeakPolarHBondContact O-CG1 3.18Å; F332-I336 PolarHBondContact O-N 3.35Å; F332-I336 VanDerWaalsContact O-N 3.16Å; H333-I336 WeakPolarHBondContact O-CA 3.31Å; H333-I336 WeakPolarHBondContact O-CB 3.32Å; H333-I336 PolarHBondContact O-N 3.09Å; I336-A338 PolarHBondContact O-N 3.11Å; I336-S339 WeakPolarHBondContact O-CB 3.47Å; I336-S339 PolarHBondContact O-N 3.05Å; I336-S339 VanDerWaalsContact O-N 3.16Å; I336-V340 HydrophobicContact CG2-CG2 4.43Å; I336-V340 WeakPolarHBondContact O-CG2 3.22Å; I336-V340 PolarHBondContact O-N 3.22Å
337	E	93.3	Very high	91.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-66.6	-38.4	-176.3	-68.6	-70.7	149.8	0	0	112.1	G306 R307 L312 H333 F334 S339 V340 K341	G306-E337 VanDerWaalsContact CA-OE1 3.3Å; G306-E337 WeakPolarHBondContact CA-OE1 3.29Å; G306-E337 VanDerWaalsContact CA-OE2 3.27Å; G306-E337 WeakPolarHBondContact CA-OE2 3.47Å; R307-E337 WeakPolarHBondContact CG-OE1 3.4Å; R307-E337 PolarHBondContact N-OE1 2.73Å; R307-E337 PolarHBondContact N-OE2 3.25Å; L312-E337 HydrophobicContact CD2-CG 3.74Å; H333-E337 IonicContact CE1-OE1 3.2Å; H333-E337 VanDerWaalsContact NE2-CG 3.26Å; H333-E337 WeakPolarHBondContact NE2-CG 3.27Å; H333-E337 IonicContact NE2-OE1 3.82Å; H333-E337 PolarHBondContact NE2-OE1 3.46Å; H333-E337 PolarHBondContact O-N 3.14Å; F334-E337 PolarHBondContact O-N 2.9Å; E337-S339 VanDerWaalsContact C-N 3.25Å; E337-S339 PolarHBondContact O-N 3.49Å; E337-V340 PolarHBondContact O-N 3.39Å; E337-K341 VanDerWaalsContact O-CB 3.28Å; E337-K341 WeakPolarHBondContact O-CB 3.46Å; E337-K341 WeakPolarHBondContact O-CG 3.14Å; E337-K341 PolarHBondContact O-N 3Å; E337-K341 WeakPolarHBondContact OE2-CE 3.28Å
338	A	93.6	Very high	91.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-56.2	-42.5	172.7	0	0	0	0	0	111.4	F334 I336 K342 L350 A377 I380 I381	F334-A338 WeakPolarHBondContact O-CB 3.42Å; F334-A338 PolarHBondContact O-N 3.27Å; I336-A338 PolarHBondContact O-N 3.11Å; A338-K342 VanDerWaalsContact O-CB 3.23Å; A338-K342 WeakPolarHBondContact O-CB 3.43Å; A338-K342 PolarHBondContact O-N 3.44Å; A338-L350 HydrophobicContact CB-CD1 4.21Å; A338-A377 HydrophobicContact CB-CB 4.43Å; A338-I380 HydrophobicContact CB-CB 4.01Å; A338-I380 HydrophobicContact CB-CG2 3.81Å; A338-I380 WeakPolarHBondContact O-CG2 3.43Å; A338-I381 HydrophobicContact CB-CD1 4.33Å; A338-I381 HydrophobicContact CB-CG1 3.89Å
339	S	91.6	Very high	91.3	Very high	16 Å²	16	29.2 Å²	29.2	11%	0.112	15%	0.151	C	C	.	.	H	α-helix	trans	-62.9	-50.5	176.9	-54.1	0	0	0	0	111.3	A335 I336 E337 K342 E343	A335-S339 PolarHBondContact O-N 3.3Å; A335-S339 PolarHBondContact O-OG 3.41Å; I336-S339 WeakPolarHBondContact O-CB 3.47Å; I336-S339 PolarHBondContact O-N 3.05Å; I336-S339 VanDerWaalsContact O-N 3.16Å; E337-S339 VanDerWaalsContact C-N 3.25Å; E337-S339 PolarHBondContact O-N 3.49Å; S339-K342 PolarHBondContact O-N 3.31Å; S339-E343 PolarHBondContact O-N 2.92Å
340	V	87.8	Confident	91.1	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.012	15%	0.151	C	C	.	.	H	α-helix	trans	-66.5	-43.8	-177.6	176.9	0	0	0	0	111.8	I336 E337 K342 E343 Q344	I336-V340 HydrophobicContact CG2-CG2 4.43Å; I336-V340 WeakPolarHBondContact O-CG2 3.22Å; I336-V340 PolarHBondContact O-N 3.22Å; E337-V340 PolarHBondContact O-N 3.39Å; V340-K342 VanDerWaalsContact C-N 3.31Å; V340-K342 PolarHBondContact O-N 3.45Å; V340-E343 PolarHBondContact O-N 3.02Å; V340-Q344 VanDerWaalsContact O-CG 3.31Å; V340-Q344 WeakPolarHBondContact O-CG 3.32Å; V340-Q344 PolarHBondContact O-N 3.43Å; V340-Q344 VanDerWaalsContact O-N 3.1Å
341	K	88.7	Confident	90.8	Very high	12 Å²	12	33.6 Å²	33.6	5%	0.052	17%	0.174	C	C	.	.	H	α-helix	trans	-69.6	-27.8	179.3	-62.7	-54.3	175.9	-170.4	0	112.4	R307 E337 Q344 E345 A346 L347	R307-K341 PolarHBondContact O-NZ 3.37Å; R307-K341 VanDerWaalsContact O-NZ 3.12Å; E337-K341 VanDerWaalsContact O-CB 3.28Å; E337-K341 WeakPolarHBondContact O-CB 3.46Å; E337-K341 WeakPolarHBondContact O-CG 3.14Å; E337-K341 PolarHBondContact O-N 3Å; E337-K341 WeakPolarHBondContact OE2-CE 3.28Å; K341-Q344 PolarHBondContact O-N 3.12Å; K341-E345 PolarHBondContact O-N 3.18Å; K341-E345 VanDerWaalsContact O-N 3.1Å; K341-A346 HydrophobicContact CD-CB 4.27Å; K341-A346 PolarHBondContact O-N 3.28Å; K341-L347 HydrophobicContact CB-CD2 4.06Å
342	K	89.2	Confident	90.6	Very high	112 Å²	112	39.5 Å²	39.5	49%	0.487	20%	0.201	S	C	.	.	H	α-helix	trans	-64.7	-45.5	170.7	-174.7	173.4	-170.4	158.9	0	111.8	A338 S339 V340 Q344 E345 L347 I380	A338-K342 VanDerWaalsContact O-CB 3.23Å; A338-K342 WeakPolarHBondContact O-CB 3.43Å; A338-K342 PolarHBondContact O-N 3.44Å; S339-K342 PolarHBondContact O-N 3.31Å; V340-K342 VanDerWaalsContact C-N 3.31Å; V340-K342 PolarHBondContact O-N 3.45Å; K342-Q344 PolarHBondContact O-N 3.11Å; K342-E345 PolarHBondContact O-N 2.87Å; K342-L347 HydrophobicContact CB-CD1 4.21Å; K342-L347 HydrophobicContact CB-CD2 4.15Å; K342-L347 HydrophobicContact CB-CG 4.33Å; K342-L347 HydrophobicContact CG-CD1 4.29Å; K342-I380 HydrophobicContact CB-CG2 4.33Å; K342-I380 HydrophobicContact CD-CG2 3.79Å; K342-I380 WeakPolarHBondContact CD-O 3.24Å; K342-I380 PolarHBondContact NZ-O 3.3Å
343	E	84.1	Confident	90.5	Very high	140 Å²	140	40.5 Å²	40.5	65%	0.654	21%	0.206	S	C	*	.	H	α-helix	trans	-65	-29.8	176.3	-68.4	-176.2	174.7	0	0	113.1	S339 V340	S339-E343 PolarHBondContact O-N 2.92Å; V340-E343 PolarHBondContact O-N 3.02Å
344	Q	80.8	Confident	90.4	Very high	48 Å²	48	41.7 Å²	41.7	22%	0.224	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-2.9	177	-67.1	174.9	3.8	0	0	113.9	Q305 V340 K341 K342 A346	Q305-Q344 VanDerWaalsContact CA-NE2 3.31Å; Q305-Q344 PolarHBondContact O-NE2 3.15Å; V340-Q344 VanDerWaalsContact O-CG 3.31Å; V340-Q344 WeakPolarHBondContact O-CG 3.32Å; V340-Q344 PolarHBondContact O-N 3.43Å; V340-Q344 VanDerWaalsContact O-N 3.1Å; K341-Q344 PolarHBondContact O-N 3.12Å; K342-Q344 PolarHBondContact O-N 3.11Å; Q344-A346 HydrophobicContact CB-CB 4.1Å; Q344-A346 PolarHBondContact O-N 3.25Å
345	E	83.5	Confident	90.3	Very high	110 Å²	110	41.7 Å²	41.7	51%	0.514	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	34.4	-173.2	-61.9	163.9	-151.7	0	0	112.9	K92 K341 K342	K92-E345 IonicContact NZ-OE1 2.92Å; K341-E345 PolarHBondContact O-N 3.18Å; K341-E345 VanDerWaalsContact O-N 3.1Å; K342-E345 PolarHBondContact O-N 2.87Å
346	A	85.3	Confident	90.3	Very high	27 Å²	27	41.9 Å²	41.9	22%	0.223	22%	0.22	C	C	.	.			trans	-120.5	27.7	-172.8	0	0	0	0	0	113.1	K341 Q344 S348 L349	K341-A346 HydrophobicContact CD-CB 4.27Å; K341-A346 PolarHBondContact O-N 3.28Å; Q344-A346 HydrophobicContact CB-CB 4.1Å; Q344-A346 PolarHBondContact O-N 3.25Å; A346-S348 PolarHBondContact O-N 3.16Å; A346-L349 WeakPolarHBondContact O-CB 3.34Å; A346-L349 PolarHBondContact O-N 3.07Å
347	L	90.1	Very high	90.2	Very high	41 Å²	41	46.9 Å²	46.9	22%	0.215	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-23.9	-179	-71.9	172.1	0	0	0	113.5	K341 K342 L349 L350 I381	K341-L347 HydrophobicContact CB-CD2 4.06Å; K342-L347 HydrophobicContact CB-CD1 4.21Å; K342-L347 HydrophobicContact CB-CD2 4.15Å; K342-L347 HydrophobicContact CB-CG 4.33Å; K342-L347 HydrophobicContact CG-CD1 4.29Å; L347-L349 PolarHBondContact O-N 2.94Å; L347-L349 VanDerWaalsContact O-N 3.15Å; L347-L350 HydrophobicContact CD2-CD1 4.31Å; L347-L350 PolarHBondContact O-N 3.31Å; L347-I381 HydrophobicContact CD2-CG1 4.25Å
348	S	90.7	Very high	90.3	Very high	69 Å²	69	47.7 Å²	47.7	48%	0.483	25%	0.253	S	S	.	.	H	α-helix	trans	-56.9	-29.3	176.8	62.1	0	0	0	0	112.8	A346 L350 L351 E352	A346-S348 PolarHBondContact O-N 3.16Å; S348-L350 VanDerWaalsContact C-N 3.27Å; S348-L350 PolarHBondContact O-N 2.8Å; S348-L351 WeakPolarHBondContact O-CB 3.31Å; S348-L351 PolarHBondContact O-N 3.31Å; S348-L351 VanDerWaalsContact O-N 3.15Å; S348-E352 WeakPolarHBondContact O-CG 3.32Å; S348-E352 PolarHBondContact O-N 3.18Å
349	L	90.1	Very high	90.3	Very high	36 Å²	36	47.7 Å²	47.7	19%	0.188	25%	0.253	C	S	.	.	H	α-helix	trans	-59.8	-37.6	176.9	-172.6	152.3	0	0	0	111.9	K309 L312 A346 L347 L351 E352 I353	K309-L349 HydrophobicContact CB-CD1 4.41Å; L312-L349 HydrophobicContact CD1-CD2 3.66Å; A346-L349 WeakPolarHBondContact O-CB 3.34Å; A346-L349 PolarHBondContact O-N 3.07Å; L347-L349 PolarHBondContact O-N 2.94Å; L347-L349 VanDerWaalsContact O-N 3.15Å; L349-L351 VanDerWaalsContact C-N 3.34Å; L349-E352 PolarHBondContact O-N 3.27Å; L349-I353 HydrophobicContact CD2-CD1 4.46Å; L349-I353 HydrophobicContact CD2-CG2 4.49Å; L349-I353 WeakPolarHBondContact O-CG1 3.24Å; L349-I353 PolarHBondContact O-N 3Å
350	L	92.9	Very high	90.4	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-71.3	-30.5	179.2	-62.5	180	0	0	0	112.3	L312 F334 A338 L347 S348 I353 A355 I381	L312-L350 HydrophobicContact CD1-CD2 4.27Å; F334-L350 HydrophobicContact CD1-CD2 4.15Å; F334-L350 HydrophobicContact CE1-CD2 4.28Å; A338-L350 HydrophobicContact CB-CD1 4.21Å; L347-L350 HydrophobicContact CD2-CD1 4.31Å; L347-L350 PolarHBondContact O-N 3.31Å; S348-L350 VanDerWaalsContact C-N 3.27Å; S348-L350 PolarHBondContact O-N 2.8Å; L350-I353 HydrophobicContact CD2-CD1 4.09Å; L350-I353 WeakPolarHBondContact O-CG1 3.4Å; L350-A355 HydrophobicContact CB-CB 4.48Å; L350-A355 WeakPolarHBondContact O-CB 3.35Å; L350-A355 PolarHBondContact O-N 3.4Å; L350-I381 HydrophobicContact CD1-CD1 3.98Å; L350-I381 HydrophobicContact CD1-CG1 4.1Å
351	L	91.7	Very high	90.5	Very high	91 Å²	91	56 Å²	56	48%	0.476	29%	0.29	S	S	.	.	H	α-helix	trans	-70.4	-45	171.7	-72.3	162.2	0	0	0	110.8	S348 L349 I353 G354 V356	S348-L351 WeakPolarHBondContact O-CB 3.31Å; S348-L351 PolarHBondContact O-N 3.31Å; S348-L351 VanDerWaalsContact O-N 3.15Å; L349-L351 VanDerWaalsContact C-N 3.34Å; L351-I353 VanDerWaalsContact C-N 3.32Å; L351-I353 PolarHBondContact O-N 3.49Å; L351-G354 PolarHBondContact O-N 3.06Å; L351-V356 HydrophobicContact CD2-CB 4.01Å; L351-V356 HydrophobicContact CD2-CG1 4.37Å; L351-V356 HydrophobicContact CD2-CG2 3.57Å; L351-V356 HydrophobicContact CG-CG2 4.09Å
352	E	92.7	Very high	90.6	Very high	125 Å²	125	55.6 Å²	55.6	58%	0.584	29%	0.288	S	S	*	.	H	α-helix	trans	-60.5	-36.2	-178.7	-75.3	176.5	-151.7	0	0	113.9	K309 S348 L349 G354	K309-E352 IonicContact NZ-OE2 2.56Å; K309-E352 PolarHBondContact NZ-OE2 3.07Å; S348-E352 WeakPolarHBondContact O-CG 3.32Å; S348-E352 PolarHBondContact O-N 3.18Å; L349-E352 PolarHBondContact O-N 3.27Å; E352-G354 VanDerWaalsContact C-N 3.27Å
353	I	93.6	Very high	90.7	Very high	20 Å²	20	50.2 Å²	50.2	10%	0.103	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-4.1	178.1	65	177.5	0	0	0	113.2	K309 L312 E313 F334 L349 L350 L351 A355	K309-I353 HydrophobicContact CD-CG2 4.39Å; K309-I353 HydrophobicContact CG-CG2 3.76Å; L312-I353 HydrophobicContact CB-CD1 3.86Å; L312-I353 HydrophobicContact CD1-CD1 4.36Å; E313-I353 HydrophobicContact CG-CB 4.32Å; E313-I353 HydrophobicContact CG-CG2 3.93Å; F334-I353 HydrophobicContact CE1-CD1 3.89Å; F334-I353 HydrophobicContact CZ-CD1 4.43Å; L349-I353 HydrophobicContact CD2-CD1 4.46Å; L349-I353 HydrophobicContact CD2-CG2 4.49Å; L349-I353 WeakPolarHBondContact O-CG1 3.24Å; L349-I353 PolarHBondContact O-N 3Å; L350-I353 HydrophobicContact CD2-CD1 4.09Å; L350-I353 WeakPolarHBondContact O-CG1 3.4Å; L351-I353 VanDerWaalsContact C-N 3.32Å; L351-I353 PolarHBondContact O-N 3.49Å; I353-A355 HydrophobicContact CD1-CB 3.88Å; I353-A355 HydrophobicContact CG1-CB 3.81Å
354	G	93.4	Very high	90.8	Very high	25 Å²	25	44.9 Å²	44.9	26%	0.258	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	18	-176.8	0	0	0	0	0	114.7	M316 L351 E352 V356 A358	M316-G354 WeakPolarHBondContact CE-O 3.3Å; L351-G354 PolarHBondContact O-N 3.06Å; E352-G354 VanDerWaalsContact C-N 3.27Å; G354-V356 VanDerWaalsContact C-N 3.33Å; G354-V356 PolarHBondContact O-N 2.88Å; G354-A358 PolarHBondContact O-N 3.33Å
355	A	94.9	Very high	90.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-66.2	-34.5	-178.5	0	0	0	0	0	112.3	M316 F334 L350 I353 A358 L359	M316-A355 HydrophobicContact SD-CB 3.92Å; F334-A355 HydrophobicContact CD1-CB 4.04Å; F334-A355 HydrophobicContact CE1-CB 3.73Å; F334-A355 HydrophobicContact CZ-CB 4.22Å; L350-A355 HydrophobicContact CB-CB 4.48Å; L350-A355 WeakPolarHBondContact O-CB 3.35Å; L350-A355 PolarHBondContact O-N 3.4Å; I353-A355 HydrophobicContact CD1-CB 3.88Å; I353-A355 HydrophobicContact CG1-CB 3.81Å; A355-A358 PolarHBondContact O-N 2.98Å; A355-L359 WeakPolarHBondContact O-CB 3.38Å; A355-L359 WeakPolarHBondContact O-CD1 3.37Å; A355-L359 WeakPolarHBondContact O-CG 3.16Å; A355-L359 PolarHBondContact O-N 3.29Å
356	V	94.3	Very high	90.3	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.024	24%	0.235	C	C	.	.	H	α-helix	trans	-60.9	-48	-178.9	172.3	0	0	0	0	111.9	L351 G354 A358 L359 K360 L378 I381 E383	L351-V356 HydrophobicContact CD2-CB 4.01Å; L351-V356 HydrophobicContact CD2-CG1 4.37Å; L351-V356 HydrophobicContact CD2-CG2 3.57Å; L351-V356 HydrophobicContact CG-CG2 4.09Å; G354-V356 VanDerWaalsContact C-N 3.33Å; G354-V356 PolarHBondContact O-N 2.88Å; V356-A358 VanDerWaalsContact C-N 3.35Å; V356-A358 PolarHBondContact O-N 2.87Å; V356-L359 PolarHBondContact O-N 2.84Å; V356-K360 HydrophobicContact CG1-CD 4.35Å; V356-K360 WeakPolarHBondContact O-CG 3.32Å; V356-K360 PolarHBondContact O-N 3.29Å; V356-L378 HydrophobicContact CG1-CD2 4.13Å; V356-I381 HydrophobicContact CG2-CD1 4.2Å; V356-I381 HydrophobicContact CG2-CG2 4.27Å; V356-E383 HydrophobicContact CG1-CB 4.48Å; V356-E383 HydrophobicContact CG1-CG 3.73Å; V356-E383 HydrophobicContact CG2-CG 4.47Å
357	D	92.3	Very high	89.8	Confident	105 Å²	105	42.4 Å²	42.4	56%	0.561	23%	0.233	S	C	*	.	H	α-helix	trans	-65.1	-41	179.7	-65.9	-33.8	0	0	0	111.5	K360 Q361	D357-K360 PolarHBondContact O-N 3.43Å; D357-Q361 WeakPolarHBondContact O-CG 3.46Å; D357-Q361 PolarHBondContact O-N 2.94Å; D357-Q361 VanDerWaalsContact O-N 3.07Å
358	A	94.2	Very high	89.4	Confident	17 Å²	17	46.2 Å²	46.2	14%	0.14	25%	0.25	C	S	.	.	H	α-helix	trans	-63.8	-40.5	175.4	0	0	0	0	0	111.9	M316 L319 G354 A355 V356 Q361 V362	M316-A358 HydrophobicContact CE-CB 3.73Å; L319-A358 HydrophobicContact CB-CB 4.24Å; L319-A358 HydrophobicContact CD1-CB 3.66Å; G354-A358 PolarHBondContact O-N 3.33Å; A355-A358 PolarHBondContact O-N 2.98Å; V356-A358 VanDerWaalsContact C-N 3.35Å; V356-A358 PolarHBondContact O-N 2.87Å; A358-Q361 PolarHBondContact O-N 3.41Å; A358-V362 WeakPolarHBondContact O-CG2 3.42Å; A358-V362 PolarHBondContact O-N 3.43Å
359	L	95.7	Very high	89.4	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-67.4	-37.6	176.4	-72	166.8	0	0	0	112	L319 F334 A355 V356 Q361 V362 A363 A374 A377 L378 I381	L319-L359 HydrophobicContact CD1-CD2 4.4Å; L319-L359 HydrophobicContact CD1-CG 4.43Å; L319-L359 HydrophobicContact CD2-CD2 4.08Å; F334-L359 HydrophobicContact CB-CD1 4.2Å; F334-L359 HydrophobicContact CB-CD2 4.02Å; A355-L359 WeakPolarHBondContact O-CB 3.38Å; A355-L359 WeakPolarHBondContact O-CD1 3.37Å; A355-L359 WeakPolarHBondContact O-CG 3.16Å; A355-L359 PolarHBondContact O-N 3.29Å; V356-L359 PolarHBondContact O-N 2.84Å; L359-Q361 VanDerWaalsContact C-N 3.34Å; L359-V362 PolarHBondContact O-N 2.76Å; L359-A363 WeakPolarHBondContact O-CB 3.28Å; L359-A363 PolarHBondContact O-N 3.34Å; L359-A374 HydrophobicContact CD2-CB 4Å; L359-A377 HydrophobicContact CD1-CB 3.94Å; L359-A377 HydrophobicContact CD2-CB 4.29Å; L359-L378 HydrophobicContact CB-CD1 4.38Å; L359-L378 HydrophobicContact CB-CD2 3.91Å; L359-L378 HydrophobicContact CB-CG 4.01Å; L359-I381 HydrophobicContact CD1-CD1 4.16Å
360	K	92.3	Very high	89.5	Confident	62 Å²	62	41.4 Å²	41.4	27%	0.27	22%	0.219	S	C	.	.	H	α-helix	trans	-60.9	-44.3	173.5	-74.9	178.5	179.7	173.3	0	111	V356 D357 V362 A363 S364 L378 E383 P386	V356-K360 HydrophobicContact CG1-CD 4.35Å; V356-K360 WeakPolarHBondContact O-CG 3.32Å; V356-K360 PolarHBondContact O-N 3.29Å; D357-K360 PolarHBondContact O-N 3.43Å; K360-V362 VanDerWaalsContact C-N 3.32Å; K360-V362 PolarHBondContact O-N 3.4Å; K360-A363 PolarHBondContact O-N 3.43Å; K360-S364 PolarHBondContact O-N 3.08Å; K360-L378 HydrophobicContact CG-CD1 3.88Å; K360-L378 HydrophobicContact CG-CD2 3.86Å; K360-E383 WeakPolarHBondContact CE-OE2 3.42Å; K360-E383 IonicContact NZ-OE2 3.89Å; K360-E383 PolarHBondContact NZ-OE2 2.98Å; K360-P386 HydrophobicContact CB-CG 4.39Å; K360-P386 VanDerWaalsContact O-CG 3.32Å; K360-P386 WeakPolarHBondContact O-CG 3.3Å
361	Q	89.9	Confident	89.5	Confident	131 Å²	131	41.4 Å²	41.4	61%	0.612	22%	0.219	S	C	*	.	H	α-helix	trans	-61	-41.5	174.1	-69.4	175.6	6.1	0	0	112.1	D357 A358 L359 S364 M365	D357-Q361 WeakPolarHBondContact O-CG 3.46Å; D357-Q361 PolarHBondContact O-N 2.94Å; D357-Q361 VanDerWaalsContact O-N 3.07Å; A358-Q361 PolarHBondContact O-N 3.41Å; L359-Q361 VanDerWaalsContact C-N 3.34Å; Q361-S364 PolarHBondContact O-OG 2.88Å; Q361-S364 VanDerWaalsContact O-OG 3.05Å; Q361-M365 VanDerWaalsContact O-CG 3.26Å; Q361-M365 WeakPolarHBondContact O-CG 3.41Å
362	V	92	Very high	89.6	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.012	22%	0.22	C	C	.	.	H	α-helix	trans	-67.3	-39.6	177.7	170.1	0	0	0	0	111.6	L319 A331 A358 L359 K360 S364 M365 A370 P371 A374	L319-V362 HydrophobicContact CB-CG2 4.18Å; L319-V362 HydrophobicContact CD2-CG2 4.09Å; L319-V362 VanDerWaalsContact O-CG2 3.26Å; L319-V362 WeakPolarHBondContact O-CG2 3.27Å; A331-V362 HydrophobicContact CB-CG1 4.3Å; A358-V362 WeakPolarHBondContact O-CG2 3.42Å; A358-V362 PolarHBondContact O-N 3.43Å; L359-V362 PolarHBondContact O-N 2.76Å; K360-V362 VanDerWaalsContact C-N 3.32Å; K360-V362 PolarHBondContact O-N 3.4Å; V362-S364 PolarHBondContact O-N 2.83Å; V362-M365 HydrophobicContact CB-CE 3.81Å; V362-M365 HydrophobicContact CG1-CE 3.52Å; V362-M365 HydrophobicContact CG2-CE 3.88Å; V362-M365 HydrophobicContact CG2-SD 4.4Å; V362-M365 WeakPolarHBondContact O-CB 3.44Å; V362-M365 WeakPolarHBondContact O-CE 3.28Å; V362-M365 PolarHBondContact O-N 3.44Å; V362-A370 HydrophobicContact CG1-CB 3.89Å; V362-P371 WeakPolarHBondContact O-CG 3.44Å; V362-A374 HydrophobicContact CB-CB 3.92Å; V362-A374 HydrophobicContact CG1-CB 3.53Å
363	A	91.4	Very high	89.7	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-65.4	-23.6	-178.6	0	0	0	0	0	113.8	L359 K360 A374 L378 P386	L359-A363 WeakPolarHBondContact O-CB 3.28Å; L359-A363 PolarHBondContact O-N 3.34Å; K360-A363 PolarHBondContact O-N 3.43Å; A363-A374 HydrophobicContact CB-CB 4.05Å; A363-L378 HydrophobicContact CB-CD1 3.93Å; A363-P386 HydrophobicContact CB-CG 3.69Å
364	S	85.8	Confident	89.8	Confident	27 Å²	27	35.5 Å²	35.5	19%	0.189	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-3.2	177.3	63.6	0	0	0	0	114.5	K360 Q361 V362	K360-S364 PolarHBondContact O-N 3.08Å; Q361-S364 PolarHBondContact O-OG 2.88Å; Q361-S364 VanDerWaalsContact O-OG 3.05Å; V362-S364 PolarHBondContact O-N 2.83Å
365	M	82.9	Confident	89.9	Confident	34 Å²	34	35.9 Å²	35.9	17%	0.167	19%	0.186	C	C	.	.	S	Bend	trans	-72.3	153.8	-178.7	-60	-177.7	-44.6	0	0	111.8	R327 Q361 V362 D367 A370 P371	R327-M365 HydrophobicContact CB-CE 4.47Å; R327-M365 PolarHBondContact NH1-SD 2.88Å; Q361-M365 VanDerWaalsContact O-CG 3.26Å; Q361-M365 WeakPolarHBondContact O-CG 3.41Å; V362-M365 HydrophobicContact CB-CE 3.81Å; V362-M365 HydrophobicContact CG1-CE 3.52Å; V362-M365 HydrophobicContact CG2-CE 3.88Å; V362-M365 HydrophobicContact CG2-SD 4.4Å; V362-M365 WeakPolarHBondContact O-CB 3.44Å; V362-M365 WeakPolarHBondContact O-CE 3.28Å; V362-M365 PolarHBondContact O-N 3.44Å; M365-D367 PolarHBondContact O-N 3.27Å; M365-A370 HydrophobicContact CE-CB 4.26Å; M365-P371 HydrophobicContact CB-CG 4.2Å; M365-P371 WeakPolarHBondContact O-CG 3.31Å
366	P	70.2	Confident	89.9	Confident	66 Å²	66	38 Å²	38	43%	0.429	20%	0.196	S	C	.	.	S	Bend	trans	-68.4	-18.9	-178.7	27.1	-35.3	0	0	0	113.3	Q391	P366-Q391 HydrophobicContact CB-CG 4.39Å; P366-Q391 PolarHBondContact O-NE2 3.48Å
367	D	75.4	Confident	90	Very high	33 Å²	33	37.8 Å²	37.8	18%	0.176	19%	0.194	C	C	.	.			trans	-54	157.8	-177.9	-61.7	-57.1	0	0	0	113.1	R327 M365 P371 K388	R327-D367 IonicContact CZ-OD2 2.73Å; R327-D367 IonicContact NH1-OD2 3.26Å; R327-D367 PolarHBondContact NH1-OD2 3.49Å; R327-D367 IonicContact NH2-OD1 3.75Å; R327-D367 IonicContact NH2-OD2 3.7Å; R327-D367 PolarHBondContact NH2-OD2 3.41Å; M365-D367 PolarHBondContact O-N 3.27Å; D367-P371 HydrophobicContact CB-CG 4.12Å; D367-P371 VanDerWaalsContact O-CD 3.3Å; D367-P371 WeakPolarHBondContact O-CD 3.39Å; D367-P371 WeakPolarHBondContact O-CG 3.43Å; D367-K388 PolarHBondContact O-NZ 3.03Å
368	E	80.8	Confident	90.2	Very high	122 Å²	122	32.8 Å²	32.8	57%	0.57	17%	0.168	S	C	*	.	S	Bend	trans	-87.8	-45.6	177.6	-66	-170.3	164.3	0	0	112.4	K372	E368-K372 WeakPolarHBondContact O-CB 3.4Å
369	V	90.8	Very high	90.2	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.024	19%	0.193	C	C	.	.	H	α-helix	trans	-83.1	-52.6	-165.8	-173.7	0	0	0	0	112.5	E285 L289 K372 F373	E285-V369 HydrophobicContact CB-CG2 4.44Å; E285-V369 HydrophobicContact CG-CB 4.45Å; E285-V369 HydrophobicContact CG-CG1 4.31Å; E285-V369 HydrophobicContact CG-CG2 4.31Å; L289-V369 HydrophobicContact CD1-CG2 3.94Å; L289-V369 HydrophobicContact CD2-CG1 4.06Å; L289-V369 HydrophobicContact CD2-CG2 4.13Å; L289-V369 HydrophobicContact CG-CG1 4.19Å; L289-V369 HydrophobicContact CG-CG2 4.19Å; V369-K372 WeakPolarHBondContact O-CB 3.45Å; V369-K372 PolarHBondContact O-N 3.38Å; V369-F373 HydrophobicContact CG1-CD2 4.08Å; V369-F373 HydrophobicContact CG1-CE2 3.58Å; V369-F373 VanDerWaalsContact O-CD2 3.29Å; V369-F373 WeakPolarHBondContact O-CD2 3.08Å; V369-F373 PolarHBondContact O-N 3.24Å
370	A	92.8	Very high	90.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62	-45.9	-178.3	0	0	0	0	0	113	R327 S328 V362 M365 K372 F373 A374	R327-A370 HydrophobicContact CB-CB 3.98Å; S328-A370 PolarHBondContact OG-N 3.47Å; V362-A370 HydrophobicContact CG1-CB 3.89Å; M365-A370 HydrophobicContact CE-CB 4.26Å; A370-K372 VanDerWaalsContact C-N 3.32Å; A370-K372 PolarHBondContact O-N 3.42Å; A370-F373 PolarHBondContact O-N 3.45Å; A370-A374 PolarHBondContact O-N 3.27Å
371	P	92.3	Very high	90.2	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.006	19%	0.189	C	C	.	.	H	α-helix	trans	-63.1	-37.3	179.7	-27.3	40.2	0	0	0	112.5	V362 M365 D367 F373 A374 S375	V362-P371 WeakPolarHBondContact O-CG 3.44Å; M365-P371 HydrophobicContact CB-CG 4.2Å; M365-P371 WeakPolarHBondContact O-CG 3.31Å; D367-P371 HydrophobicContact CB-CG 4.12Å; D367-P371 VanDerWaalsContact O-CD 3.3Å; D367-P371 WeakPolarHBondContact O-CD 3.39Å; D367-P371 WeakPolarHBondContact O-CG 3.43Å; P371-F373 VanDerWaalsContact C-N 3.34Å; P371-F373 PolarHBondContact O-N 3.2Å; P371-A374 PolarHBondContact O-N 3.37Å; P371-S375 WeakPolarHBondContact O-CB 3.33Å; P371-S375 PolarHBondContact O-N 2.8Å; P371-S375 PolarHBondContact O-OG 2.6Å
372	K	93.6	Very high	90.3	Very high	111 Å²	111	34.4 Å²	34.4	48%	0.483	19%	0.191	S	C	.	.	H	α-helix	trans	-53.5	-50.2	175	176.1	-173.1	175.2	-175.9	0	111.6	E368 V369 A370 Q376	E368-K372 WeakPolarHBondContact O-CB 3.4Å; V369-K372 WeakPolarHBondContact O-CB 3.45Å; V369-K372 PolarHBondContact O-N 3.38Å; A370-K372 VanDerWaalsContact C-N 3.32Å; A370-K372 PolarHBondContact O-N 3.42Å; K372-Q376 WeakPolarHBondContact O-CB 3.28Å; K372-Q376 PolarHBondContact O-N 3.17Å; K372-Q376 VanDerWaalsContact O-N 3.14Å
373	F	95.8	Very high	90.3	Very high	1 Å²	1	37.4 Å²	37.4	0%	0.004	21%	0.205	C	C	.	.	H	α-helix	trans	-73.8	-33	-179.4	-63.2	-54.6	0	0	0	112.6	L288 P293 A331 F332 V369 A370 P371 Q376 A377	L288-F373 HydrophobicContact CB-CE2 3.82Å; L288-F373 HydrophobicContact CB-CZ 4.12Å; P293-F373 HydrophobicContact CG-CD1 3.85Å; P293-F373 HydrophobicContact CG-CE1 4.09Å; A331-F373 HydrophobicContact CB-CB 3.87Å; F332-F373 HydrophobicContact CB-CD2 4.05Å; F332-F373 HydrophobicContact CB-CE2 4.42Å; F332-F373 HydrophobicContact CB-CG 4.16Å; F332-F373 AromaticContact CD2-CD1 3.84Å; F332-F373 HydrophobicContact CD2-CD1 3.84Å; F332-F373 HydrophobicContact CD2-CD2 4.2Å; F332-F373 AromaticContact CD2-CE1 3.56Å; F332-F373 HydrophobicContact CD2-CE1 3.56Å; F332-F373 AromaticContact CD2-CE2 3.93Å; F332-F373 HydrophobicContact CD2-CE2 3.93Å; F332-F373 HydrophobicContact CD2-CG 4.16Å; F332-F373 AromaticContact CD2-CZ 3.61Å; F332-F373 HydrophobicContact CD2-CZ 3.61Å; F332-F373 HydrophobicContact CE2-CE1 4.04Å; F332-F373 HydrophobicContact CE2-CZ 4.16Å; V369-F373 HydrophobicContact CG1-CD2 4.08Å; V369-F373 HydrophobicContact CG1-CE2 3.58Å; V369-F373 VanDerWaalsContact O-CD2 3.29Å; V369-F373 WeakPolarHBondContact O-CD2 3.08Å; V369-F373 PolarHBondContact O-N 3.24Å; A370-F373 PolarHBondContact O-N 3.45Å; P371-F373 VanDerWaalsContact C-N 3.34Å; P371-F373 PolarHBondContact O-N 3.2Å; F373-Q376 WeakPolarHBondContact O-CB 3.46Å; F373-Q376 PolarHBondContact O-N 2.84Å; F373-A377 PolarHBondContact O-N 3.03Å
374	A	95.8	Very high	90.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-67	-44.7	175.8	0	0	0	0	0	112.3	A331 L359 V362 A363 A370 P371 Q376 A377 L378	A331-A374 HydrophobicContact CB-CB 4.27Å; L359-A374 HydrophobicContact CD2-CB 4Å; V362-A374 HydrophobicContact CB-CB 3.92Å; V362-A374 HydrophobicContact CG1-CB 3.53Å; A363-A374 HydrophobicContact CB-CB 4.05Å; A370-A374 PolarHBondContact O-N 3.27Å; P371-A374 PolarHBondContact O-N 3.37Å; A374-Q376 VanDerWaalsContact C-N 3.29Å; A374-Q376 PolarHBondContact O-N 2.88Å; A374-A377 PolarHBondContact O-N 2.93Å; A374-L378 WeakPolarHBondContact O-CG 3.35Å; A374-L378 PolarHBondContact O-N 3.34Å
375	S	94.5	Very high	90.3	Very high	32 Å²	32	46.6 Å²	46.6	22%	0.224	25%	0.248	C	C	.	.	H	α-helix	trans	-59.6	-40.9	172.9	-61.1	0	0	0	0	111.7	P371 L378 H379 V385	P371-S375 WeakPolarHBondContact O-CB 3.33Å; P371-S375 PolarHBondContact O-N 2.8Å; P371-S375 PolarHBondContact O-OG 2.6Å; S375-L378 PolarHBondContact O-N 3.02Å; S375-H379 WeakPolarHBondContact O-CB 3.39Å; S375-H379 PolarHBondContact O-N 3.05Å; S375-V385 VanDerWaalsContact OG-CG1 3.27Å; S375-V385 WeakPolarHBondContact OG-CG1 3.28Å
376	Q	95.1	Very high	90.3	Very high	45 Å²	45	46.5 Å²	46.5	21%	0.21	25%	0.25	C	S	.	.	H	α-helix	trans	-61.7	-46.3	175	-176.3	174.9	1.6	0	0	111.7	E294 K372 F373 A374 H379 I380	E294-Q376 PolarHBondContact OE1-NE2 3.47Å; E294-Q376 PolarHBondContact OE2-NE2 3.1Å; K372-Q376 WeakPolarHBondContact O-CB 3.28Å; K372-Q376 PolarHBondContact O-N 3.17Å; K372-Q376 VanDerWaalsContact O-N 3.14Å; F373-Q376 WeakPolarHBondContact O-CB 3.46Å; F373-Q376 PolarHBondContact O-N 2.84Å; A374-Q376 VanDerWaalsContact C-N 3.29Å; A374-Q376 PolarHBondContact O-N 2.88Å; Q376-H379 PolarHBondContact O-N 3.2Å; Q376-I380 HydrophobicContact CG-CD1 4.15Å; Q376-I380 WeakPolarHBondContact O-CD1 3.43Å; Q376-I380 VanDerWaalsContact O-CG1 3.27Å; Q376-I380 WeakPolarHBondContact O-CG1 3.29Å; Q376-I380 PolarHBondContact O-N 3.38Å; Q376-I380 VanDerWaalsContact O-N 3.08Å
377	A	96	Very high	90.7	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.3	-48.4	176	0	0	0	0	0	112	A335 A338 L359 F373 A374 H379 I380 I381	A335-A377 HydrophobicContact CB-CB 4.09Å; A338-A377 HydrophobicContact CB-CB 4.43Å; L359-A377 HydrophobicContact CD1-CB 3.94Å; L359-A377 HydrophobicContact CD2-CB 4.29Å; F373-A377 PolarHBondContact O-N 3.03Å; A374-A377 PolarHBondContact O-N 2.93Å; A377-H379 VanDerWaalsContact C-N 3.34Å; A377-H379 PolarHBondContact O-N 3.41Å; A377-I380 PolarHBondContact O-N 3.5Å; A377-I381 WeakPolarHBondContact O-CD1 3.33Å; A377-I381 WeakPolarHBondContact O-CG1 3.48Å; A377-I381 PolarHBondContact O-N 3.44Å
378	L	96.1	Very high	90.7	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.4	-43.4	178.2	-70.9	169.7	0	0	0	112.1	V356 L359 K360 A363 A374 S375 I380 I381 G382 E383 V385	V356-L378 HydrophobicContact CG1-CD2 4.13Å; L359-L378 HydrophobicContact CB-CD1 4.38Å; L359-L378 HydrophobicContact CB-CD2 3.91Å; L359-L378 HydrophobicContact CB-CG 4.01Å; K360-L378 HydrophobicContact CG-CD1 3.88Å; K360-L378 HydrophobicContact CG-CD2 3.86Å; A363-L378 HydrophobicContact CB-CD1 3.93Å; A374-L378 WeakPolarHBondContact O-CG 3.35Å; A374-L378 PolarHBondContact O-N 3.34Å; S375-L378 PolarHBondContact O-N 3.02Å; L378-I380 VanDerWaalsContact C-N 3.32Å; L378-I380 PolarHBondContact O-N 3.47Å; L378-I381 PolarHBondContact O-N 3.33Å; L378-G382 PolarHBondContact O-N 3.22Å; L378-E383 HydrophobicContact CB-CB 4.42Å; L378-E383 HydrophobicContact CD2-CB 3.99Å; L378-E383 PolarHBondContact O-N 3.27Å; L378-V385 HydrophobicContact CB-CG2 4.08Å
379	H	94.8	Very high	90.9	Very high	143 Å²	143	47.2 Å²	47.2	66%	0.662	24%	0.241	S	C	*	.	H	α-helix	trans	-60.9	-40.7	176.3	-176	72.8	0	0	0	112.3	S375 Q376 A377 G382	S375-H379 WeakPolarHBondContact O-CB 3.39Å; S375-H379 PolarHBondContact O-N 3.05Å; Q376-H379 PolarHBondContact O-N 3.2Å; A377-H379 VanDerWaalsContact C-N 3.34Å; A377-H379 PolarHBondContact O-N 3.41Å; H379-G382 PolarHBondContact O-N 2.73Å
380	I	93.8	Very high	90.6	Very high	17 Å²	17	50.1 Å²	50.1	9%	0.087	26%	0.262	C	S	.	.	H	α-helix	trans	-66.1	-42.3	177.8	-67	163.3	0	0	0	111	A338 K342 Q376 A377 L378 G382	A338-I380 HydrophobicContact CB-CB 4.01Å; A338-I380 HydrophobicContact CB-CG2 3.81Å; A338-I380 WeakPolarHBondContact O-CG2 3.43Å; K342-I380 HydrophobicContact CB-CG2 4.33Å; K342-I380 HydrophobicContact CD-CG2 3.79Å; K342-I380 WeakPolarHBondContact CD-O 3.24Å; K342-I380 PolarHBondContact NZ-O 3.3Å; Q376-I380 HydrophobicContact CG-CD1 4.15Å; Q376-I380 WeakPolarHBondContact O-CD1 3.43Å; Q376-I380 VanDerWaalsContact O-CG1 3.27Å; Q376-I380 WeakPolarHBondContact O-CG1 3.29Å; Q376-I380 PolarHBondContact O-N 3.38Å; Q376-I380 VanDerWaalsContact O-N 3.08Å; A377-I380 PolarHBondContact O-N 3.5Å; L378-I380 VanDerWaalsContact C-N 3.32Å; L378-I380 PolarHBondContact O-N 3.47Å; I380-G382 PolarHBondContact O-N 2.81Å
381	I	93.9	Very high	90.3	Very high	21 Å²	21	53.2 Å²	53.2	11%	0.108	28%	0.276	C	S	.	.	H	α-helix	trans	-64	-30.4	177.6	-63.9	163.9	0	0	0	111.2	A338 L347 L350 V356 L359 A377 L378 E383	A338-I381 HydrophobicContact CB-CD1 4.33Å; A338-I381 HydrophobicContact CB-CG1 3.89Å; L347-I381 HydrophobicContact CD2-CG1 4.25Å; L350-I381 HydrophobicContact CD1-CD1 3.98Å; L350-I381 HydrophobicContact CD1-CG1 4.1Å; V356-I381 HydrophobicContact CG2-CD1 4.2Å; V356-I381 HydrophobicContact CG2-CG2 4.27Å; L359-I381 HydrophobicContact CD1-CD1 4.16Å; A377-I381 WeakPolarHBondContact O-CD1 3.33Å; A377-I381 WeakPolarHBondContact O-CG1 3.48Å; A377-I381 PolarHBondContact O-N 3.44Å; L378-I381 PolarHBondContact O-N 3.33Å; I381-E383 HydrophobicContact CG2-CG 3.87Å
382	G	92.6	Very high	90.2	Very high	64 Å²	64	56 Å²	56	66%	0.66	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.5	18.9	-176.9	0	0	0	0	0	113.6	L378 H379 I380	L378-G382 PolarHBondContact O-N 3.22Å; H379-G382 PolarHBondContact O-N 2.73Å; I380-G382 PolarHBondContact O-N 2.81Å
383	E	92.8	Very high	90.2	Very high	64 Å²	64	50.7 Å²	50.7	30%	0.299	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-91.5	153.2	177	-71.6	-71.5	144.5	0	0	111.3	V356 K360 L378 I381 V385	V356-E383 HydrophobicContact CG1-CB 4.48Å; V356-E383 HydrophobicContact CG1-CG 3.73Å; V356-E383 HydrophobicContact CG2-CG 4.47Å; K360-E383 WeakPolarHBondContact CE-OE2 3.42Å; K360-E383 IonicContact NZ-OE2 3.89Å; K360-E383 PolarHBondContact NZ-OE2 2.98Å; L378-E383 HydrophobicContact CB-CB 4.42Å; L378-E383 HydrophobicContact CD2-CB 3.99Å; L378-E383 PolarHBondContact O-N 3.27Å; I381-E383 HydrophobicContact CG2-CG 3.87Å; E383-V385 PolarHBondContact O-N 2.83Å
384	E	89.1	Confident	90.1	Very high	167 Å²	167	51.4 Å²	51.4	78%	0.78	27%	0.271	S	S	*	.	P	Polyproline II helix	trans	-68.6	129	173.9	-169.3	174.2	-174.3	0	0	110.4
385	V	88.3	Confident	90	Very high	54 Å²	54	57.7 Å²	57.7	33%	0.327	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-80.8	124	177.1	-179.3	0	0	0	0	108.1	S375 L378 E383	S375-V385 VanDerWaalsContact OG-CG1 3.27Å; S375-V385 WeakPolarHBondContact OG-CG1 3.28Å; L378-V385 HydrophobicContact CB-CG2 4.08Å; E383-V385 PolarHBondContact O-N 2.83Å
386	P	82.7	Confident	90	Very high	31 Å²	31	56.7 Å²	56.7	20%	0.201	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-63.8	152.3	-179.6	25.1	-31.8	0	0	0	111.4	K360 A363 K388	K360-P386 HydrophobicContact CB-CG 4.39Å; K360-P386 VanDerWaalsContact O-CG 3.32Å; K360-P386 WeakPolarHBondContact O-CG 3.3Å; A363-P386 HydrophobicContact CB-CG 3.69Å; P386-K388 PolarHBondContact O-N 3.26Å
387	Y	77.8	Confident	90	Very high	130 Å²	130	56.5 Å²	56.5	51%	0.51	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-61.1	132.8	176.3	-177.1	-109.1	0	0	0	111	L389 D400 Y403	Y387-L389 HydrophobicContact CD1-CD2 4.4Å; Y387-L389 HydrophobicContact CE1-CD2 3.96Å; Y387-D400 WeakPolarHBondContact CE1-OD1 3.25Å; Y387-D400 VanDerWaalsContact CZ-OD1 3.32Å; Y387-D400 PolarHBondContact OH-OD1 3.02Å; Y387-Y403 HydrophobicContact CD1-CD1 4.02Å; Y387-Y403 HydrophobicContact CD1-CE1 4.22Å; Y387-Y403 HydrophobicContact CD1-CG 4.25Å; Y387-Y403 WeakPolarHBondContact O-CE1 3.33Å; Y387-Y403 PolarHBondContact O-OH 3.36Å
388	K	76.2	Confident	90	Very high	88 Å²	88	57.9 Å²	57.9	38%	0.383	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-102.9	119.8	179.6	-174.2	-179.6	-176	-179.2	0	109.7	D367 P386	D367-K388 PolarHBondContact O-NZ 3.03Å; P386-K388 PolarHBondContact O-N 3.26Å
389	L	83.4	Confident	89.9	Confident	19 Å²	19	63.6 Å²	63.6	10%	0.099	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-70.9	139.6	173.1	-67.6	166.2	0	0	0	110.9	Y387 W396 D400 Y403 W404	Y387-L389 HydrophobicContact CD1-CD2 4.4Å; Y387-L389 HydrophobicContact CE1-CD2 3.96Å; L389-W396 HydrophobicContact CB-CH2 4.29Å; L389-W396 HydrophobicContact CB-CZ2 3.71Å; L389-W396 HydrophobicContact CD1-CH2 3.79Å; L389-W396 HydrophobicContact CD1-CZ2 4.07Å; L389-W396 HydrophobicContact CD1-CZ3 4.34Å; L389-W396 HydrophobicContact CD2-CZ2 4.37Å; L389-W396 HydrophobicContact CG-CH2 4.45Å; L389-W396 HydrophobicContact CG-CZ2 4.28Å; L389-D400 HydrophobicContact CD2-CB 3.7Å; L389-D400 WeakPolarHBondContact CD2-O 3.32Å; L389-Y403 HydrophobicContact CD1-CD1 3.81Å; L389-Y403 HydrophobicContact CD1-CE1 4.38Å; L389-Y403 HydrophobicContact CD2-CD1 3.98Å; L389-Y403 HydrophobicContact CG-CD1 3.75Å; L389-Y403 HydrophobicContact CG-CE1 4.27Å; L389-W404 HydrophobicContact CD1-CB 3.66Å; L389-W404 HydrophobicContact CD1-CG 4.24Å
390	S	85.3	Confident	89.8	Confident	64 Å²	64	57.7 Å²	57.7	45%	0.448	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-65	148.2	173.6	-179.2	0	0	0	0	111.1	Q392 W396	S390-Q392 PolarHBondContact OG-N 3.07Å; S390-Q392 VanDerWaalsContact OG-N 3.12Å; S390-W396 WeakPolarHBondContact O-CZ2 3.36Å; S390-W396 PolarHBondContact O-NE1 3.34Å
391	Q	86.1	Confident	89.8	Confident	65 Å²	65	56.9 Å²	56.9	30%	0.304	30%	0.298	S	S	.	.	S	Bend	trans	-73.7	-19.1	168.7	-70.8	-175.6	8.6	0	0	112.4	P366 V393 A461 D462	P366-Q391 HydrophobicContact CB-CG 4.39Å; P366-Q391 PolarHBondContact O-NE2 3.48Å; Q391-V393 PolarHBondContact O-N 3.34Å; Q391-A461 WeakPolarHBondContact O-CA 3.43Å; Q391-D462 HydrophobicContact CB-CB 3.85Å; Q391-D462 PolarHBondContact O-N 2.92Å
392	Q	89.8	Confident	89.8	Confident	59 Å²	59	58.2 Å²	58.2	28%	0.276	30%	0.304	S	S	.	.			trans	-77.2	71.2	174.5	-64.3	-164.8	24.8	0	0	110.4	S390 P394 F395 D462 S465	S390-Q392 PolarHBondContact OG-N 3.07Å; S390-Q392 VanDerWaalsContact OG-N 3.12Å; Q392-P394 VanDerWaalsContact C-N 3.28Å; Q392-F395 HydrophobicContact CB-CD2 4.11Å; Q392-F395 PolarHBondContact O-N 3.44Å; Q392-D462 HydrophobicContact CG-CB 4.17Å; Q392-S465 PolarHBondContact OE1-OG 2.85Å
393	V	93.6	Very high	89.7	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.006	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-52	-37.7	179.5	-173.3	0	0	0	0	113.2	Q391 F395 W396 G424 L428 L457 A461	Q391-V393 PolarHBondContact O-N 3.34Å; V393-F395 PolarHBondContact O-N 3.42Å; V393-W396 HydrophobicContact CB-CD2 4.47Å; V393-W396 HydrophobicContact CG1-CD2 4.02Å; V393-W396 HydrophobicContact CG1-CE3 4.09Å; V393-W396 HydrophobicContact CG1-CG 4.43Å; V393-W396 HydrophobicContact CG1-CZ3 4.39Å; V393-W396 HydrophobicContact CG2-CH2 4.36Å; V393-W396 HydrophobicContact CG2-CZ2 3.88Å; V393-W396 WeakPolarHBondContact O-CB 3.5Å; V393-W396 PolarHBondContact O-N 3.37Å; V393-G424 VanDerWaalsContact O-CA 3.22Å; V393-G424 WeakPolarHBondContact O-CA 3.44Å; V393-L428 HydrophobicContact CB-CD1 4.05Å; V393-L428 HydrophobicContact CB-CD2 4.24Å; V393-L428 HydrophobicContact CB-CG 4.37Å; V393-L428 HydrophobicContact CG1-CD1 3.88Å; V393-L428 HydrophobicContact CG1-CD2 3.76Å; V393-L428 HydrophobicContact CG1-CG 3.73Å; V393-L457 HydrophobicContact CG1-CD2 3.99Å; V393-L457 HydrophobicContact CG1-CG 4.43Å; V393-L457 HydrophobicContact CG2-CD1 3.83Å; V393-L457 HydrophobicContact CG2-CD2 4.41Å; V393-L457 HydrophobicContact CG2-CG 4.06Å; V393-A461 HydrophobicContact CB-CB 4.1Å; V393-A461 HydrophobicContact CG2-CB 3.59Å
394	P	94.2	Very high	89.7	Confident	16 Å²	16	55.8 Å²	55.8	10%	0.104	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-55.3	-22.5	177.1	-28.2	36.8	0	0	0	114.8	Q392 L428 Y463 V466 Y487	Q392-P394 VanDerWaalsContact C-N 3.28Å; P394-L428 HydrophobicContact CB-CD1 4.42Å; P394-L428 HydrophobicContact CG-CD1 3.79Å; P394-Y463 HydrophobicContact CG-CD1 4.1Å; P394-Y463 HydrophobicContact CG-CE1 4.38Å; P394-V466 HydrophobicContact CG-CG2 4.42Å; P394-Y487 HydrophobicContact CB-CE2 3.66Å; P394-Y487 HydrophobicContact CG-CD2 3.87Å; P394-Y487 HydrophobicContact CG-CE2 3.42Å; P394-Y487 VanDerWaalsContact CG-CE2 3.42Å
395	F	93.6	Very high	89.9	Confident	132 Å²	132	47.9 Å²	47.9	58%	0.579	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-102.1	8	-178.6	-67	-83.6	0	0	0	114	Q392 V393 S397 S465 V466	Q392-F395 HydrophobicContact CB-CD2 4.11Å; Q392-F395 PolarHBondContact O-N 3.44Å; V393-F395 PolarHBondContact O-N 3.42Å; F395-S397 PolarHBondContact O-N 2.96Å; F395-S465 VanDerWaalsContact CE2-OG 3.24Å; F395-S465 WeakPolarHBondContact CE2-OG 3.47Å; F395-V466 HydrophobicContact CE2-CG1 4.35Å
396	W	94.9	Very high	90	Very high	10 Å²	10	47 Å²	47	4%	0.038	23%	0.231	C	C	.	.			trans	-65.2	135.1	178.5	-78	12.4	0	0	0	111.7	L389 S390 V393 D400 V401 W404 G424 L427 L457	L389-W396 HydrophobicContact CB-CH2 4.29Å; L389-W396 HydrophobicContact CB-CZ2 3.71Å; L389-W396 HydrophobicContact CD1-CH2 3.79Å; L389-W396 HydrophobicContact CD1-CZ2 4.07Å; L389-W396 HydrophobicContact CD1-CZ3 4.34Å; L389-W396 HydrophobicContact CD2-CZ2 4.37Å; L389-W396 HydrophobicContact CG-CH2 4.45Å; L389-W396 HydrophobicContact CG-CZ2 4.28Å; S390-W396 WeakPolarHBondContact O-CZ2 3.36Å; S390-W396 PolarHBondContact O-NE1 3.34Å; V393-W396 HydrophobicContact CB-CD2 4.47Å; V393-W396 HydrophobicContact CG1-CD2 4.02Å; V393-W396 HydrophobicContact CG1-CE3 4.09Å; V393-W396 HydrophobicContact CG1-CG 4.43Å; V393-W396 HydrophobicContact CG1-CZ3 4.39Å; V393-W396 HydrophobicContact CG2-CH2 4.36Å; V393-W396 HydrophobicContact CG2-CZ2 3.88Å; V393-W396 WeakPolarHBondContact O-CB 3.5Å; V393-W396 PolarHBondContact O-N 3.37Å; W396-D400 HydrophobicContact CB-CB 3.77Å; W396-D400 HydrophobicContact CD2-CB 4.17Å; W396-D400 HydrophobicContact CE3-CB 4.48Å; W396-D400 HydrophobicContact CG-CB 3.87Å; W396-V401 HydrophobicContact CB-CG2 4.39Å; W396-V401 HydrophobicContact CE3-CG2 4.23Å; W396-W404 HydrophobicContact CE3-CB 4.46Å; W396-W404 HydrophobicContact CH2-CB 4.01Å; W396-W404 AromaticContact CH2-CD1 3.67Å; W396-W404 AromaticContact CH2-CG 3.82Å; W396-W404 HydrophobicContact CH2-CG 3.82Å; W396-W404 HydrophobicContact CZ3-CB 3.54Å; W396-W404 AromaticContact CZ3-CD1 3.92Å; W396-W404 HydrophobicContact CZ3-CD2 4.17Å; W396-W404 AromaticContact CZ3-CG 3.58Å; W396-W404 HydrophobicContact CZ3-CG 3.58Å; W396-G424 PolarHBondContact O-N 3.15Å; W396-L427 HydrophobicContact CE3-CD2 4.18Å; W396-L427 HydrophobicContact CZ3-CD2 4.1Å; W396-L457 HydrophobicContact CH2-CD1 3.56Å; W396-L457 HydrophobicContact CH2-CD2 3.92Å; W396-L457 HydrophobicContact CH2-CG 4.39Å; W396-L457 HydrophobicContact CZ2-CD1 4.12Å; W396-L457 HydrophobicContact CZ3-CD1 4.33Å; W396-L457 HydrophobicContact CZ3-CD2 3.82Å
397	S	95.3	Very high	90.1	Very high	42 Å²	42	50.2 Å²	50.2	29%	0.294	24%	0.244	S	C	.	.			trans	-75.2	173	170.6	85.4	0	0	0	0	111.6	F395 E399 D400 V401	F395-S397 PolarHBondContact O-N 2.96Å; S397-E399 VanDerWaalsContact CB-OE2 3.27Å; S397-E399 WeakPolarHBondContact CB-OE2 3.35Å; S397-E399 PolarHBondContact O-N 3.26Å; S397-E399 PolarHBondContact OG-N 3.33Å; S397-E399 PolarHBondContact OG-OE2 2.81Å; S397-D400 PolarHBondContact N-OD2 3.34Å; S397-D400 WeakPolarHBondContact O-CB 3.42Å; S397-D400 PolarHBondContact O-N 3.38Å; S397-D400 PolarHBondContact OG-N 2.98Å; S397-V401 WeakPolarHBondContact O-CG2 3.44Å; S397-V401 PolarHBondContact O-N 3.16Å; S397-V401 VanDerWaalsContact O-N 3.09Å
398	V	96.1	Very high	90.6	Very high	29 Å²	29	45.8 Å²	45.8	18%	0.176	23%	0.228	C	C	.	.	H	α-helix	trans	-59.8	-37.6	173.5	179.9	0	0	0	0	110.7	V401 Q402 K421 D423	V398-V401 PolarHBondContact O-N 3.28Å; V398-Q402 WeakPolarHBondContact O-CG 3.38Å; V398-Q402 PolarHBondContact O-N 3.35Å; V398-K421 HydrophobicContact CG2-CB 4.32Å; V398-D423 HydrophobicContact CG2-CB 4.43Å
399	E	93.2	Very high	91.2	Very high	120 Å²	120	44.5 Å²	44.5	56%	0.561	24%	0.24	S	C	*	.	H	α-helix	trans	-66.9	-39	177.4	-59.9	74.2	-160.6	0	0	112.1	S397 Q402 Y403	S397-E399 VanDerWaalsContact CB-OE2 3.27Å; S397-E399 WeakPolarHBondContact CB-OE2 3.35Å; S397-E399 PolarHBondContact O-N 3.26Å; S397-E399 PolarHBondContact OG-N 3.33Å; S397-E399 PolarHBondContact OG-OE2 2.81Å; E399-Q402 WeakPolarHBondContact O-CB 3.27Å; E399-Q402 PolarHBondContact O-N 3.14Å; E399-Y403 WeakPolarHBondContact O-CB 3.28Å; E399-Y403 PolarHBondContact O-N 3.06Å
400	D	92.9	Very high	91.7	Very high	19 Å²	19	44 Å²	44	10%	0.102	24%	0.237	C	C	.	.	H	α-helix	trans	-62.1	-44.7	174.7	-68.4	-38.3	0	0	0	110.9	Y387 L389 W396 S397 Y403 W404	Y387-D400 WeakPolarHBondContact CE1-OD1 3.25Å; Y387-D400 VanDerWaalsContact CZ-OD1 3.32Å; Y387-D400 PolarHBondContact OH-OD1 3.02Å; L389-D400 HydrophobicContact CD2-CB 3.7Å; L389-D400 WeakPolarHBondContact CD2-O 3.32Å; W396-D400 HydrophobicContact CB-CB 3.77Å; W396-D400 HydrophobicContact CD2-CB 4.17Å; W396-D400 HydrophobicContact CE3-CB 4.48Å; W396-D400 HydrophobicContact CG-CB 3.87Å; S397-D400 PolarHBondContact N-OD2 3.34Å; S397-D400 WeakPolarHBondContact O-CB 3.42Å; S397-D400 PolarHBondContact O-N 3.38Å; S397-D400 PolarHBondContact OG-N 2.98Å; D400-Y403 PolarHBondContact O-N 3.06Å; D400-W404 PolarHBondContact O-N 2.95Å
401	V	94.9	Very high	92.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.4	-46.1	175.2	173.2	0	0	0	0	110.9	W396 S397 V398 Y403 W404 V405 F417 V422 L427	W396-V401 HydrophobicContact CB-CG2 4.39Å; W396-V401 HydrophobicContact CE3-CG2 4.23Å; S397-V401 WeakPolarHBondContact O-CG2 3.44Å; S397-V401 PolarHBondContact O-N 3.16Å; S397-V401 VanDerWaalsContact O-N 3.09Å; V398-V401 PolarHBondContact O-N 3.28Å; V401-Y403 VanDerWaalsContact C-N 3.28Å; V401-Y403 PolarHBondContact O-N 2.87Å; V401-W404 PolarHBondContact O-N 2.91Å; V401-V405 HydrophobicContact CG1-CG2 4.23Å; V401-V405 WeakPolarHBondContact O-CB 3.28Å; V401-V405 VanDerWaalsContact O-CG2 3.27Å; V401-V405 WeakPolarHBondContact O-CG2 3.07Å; V401-V405 PolarHBondContact O-N 3.03Å; V401-F417 HydrophobicContact CG1-CB 4.44Å; V401-F417 HydrophobicContact CG1-CD1 3.91Å; V401-F417 HydrophobicContact CG1-CG 4.5Å; V401-V422 WeakPolarHBondContact CB-O 3.5Å; V401-V422 HydrophobicContact CG1-CB 4.45Å; V401-V422 HydrophobicContact CG1-CG1 4.25Å; V401-V422 WeakPolarHBondContact CG2-O 3.07Å; V401-L427 HydrophobicContact CG1-CD2 4.27Å; V401-L427 HydrophobicContact CG2-CB 4.37Å; V401-L427 HydrophobicContact CG2-CD2 4.07Å
402	Q	94.1	Very high	92.5	Very high	49 Å²	49	53 Å²	53	23%	0.229	27%	0.269	C	S	.	.	H	α-helix	trans	-56.8	-43.2	176	-78.3	-165.8	-69.2	0	0	112.5	V398 E399 S406 S414	V398-Q402 WeakPolarHBondContact O-CG 3.38Å; V398-Q402 PolarHBondContact O-N 3.35Å; E399-Q402 WeakPolarHBondContact O-CB 3.27Å; E399-Q402 PolarHBondContact O-N 3.14Å; Q402-S406 PolarHBondContact O-N 2.91Å; Q402-S406 VanDerWaalsContact O-N 3.15Å; Q402-S406 PolarHBondContact O-OG 3.45Å; Q402-S414 WeakPolarHBondContact CA-OG 3.05Å; Q402-S414 WeakPolarHBondContact CB-OG 3.38Å; Q402-S414 PolarHBondContact NE2-O 3.07Å; Q402-S414 VanDerWaalsContact NE2-O 3.16Å; Q402-S414 PolarHBondContact O-OG 2.91Å
403	Y	90	Very high	92.8	Very high	57 Å²	57	51.6 Å²	51.6	22%	0.224	26%	0.262	C	S	.	.	H	α-helix	trans	-63.9	-47.8	178.1	-175.5	-100.8	0	0	0	110.8	Y387 L389 E399 D400 V401 V405 S406 Q407	Y387-Y403 HydrophobicContact CD1-CD1 4.02Å; Y387-Y403 HydrophobicContact CD1-CE1 4.22Å; Y387-Y403 HydrophobicContact CD1-CG 4.25Å; Y387-Y403 WeakPolarHBondContact O-CE1 3.33Å; Y387-Y403 PolarHBondContact O-OH 3.36Å; L389-Y403 HydrophobicContact CD1-CD1 3.81Å; L389-Y403 HydrophobicContact CD1-CE1 4.38Å; L389-Y403 HydrophobicContact CD2-CD1 3.98Å; L389-Y403 HydrophobicContact CG-CD1 3.75Å; L389-Y403 HydrophobicContact CG-CE1 4.27Å; E399-Y403 WeakPolarHBondContact O-CB 3.28Å; E399-Y403 PolarHBondContact O-N 3.06Å; D400-Y403 PolarHBondContact O-N 3.06Å; V401-Y403 VanDerWaalsContact C-N 3.28Å; V401-Y403 PolarHBondContact O-N 2.87Å; Y403-V405 PolarHBondContact O-N 2.81Å; Y403-S406 WeakPolarHBondContact O-CB 3.37Å; Y403-S406 PolarHBondContact O-N 2.81Å; Y403-Q407 HydrophobicContact CD1-CG 4.03Å; Y403-Q407 HydrophobicContact CE1-CG 3.69Å; Y403-Q407 WeakPolarHBondContact O-CG 3.42Å; Y403-Q407 PolarHBondContact O-N 3.15Å
404	W	91.8	Very high	92.8	Very high	20 Å²	20	52 Å²	52	8%	0.076	27%	0.265	C	S	.	.	H	α-helix	trans	-58.3	-47.5	177.1	-179.6	77.1	0	0	0	112.5	L389 W396 D400 V401 S406 Q407 I408 L427 F450 E453 L454 L457	L389-W404 HydrophobicContact CD1-CB 3.66Å; L389-W404 HydrophobicContact CD1-CG 4.24Å; W396-W404 HydrophobicContact CE3-CB 4.46Å; W396-W404 HydrophobicContact CH2-CB 4.01Å; W396-W404 AromaticContact CH2-CD1 3.67Å; W396-W404 AromaticContact CH2-CG 3.82Å; W396-W404 HydrophobicContact CH2-CG 3.82Å; W396-W404 HydrophobicContact CZ3-CB 3.54Å; W396-W404 AromaticContact CZ3-CD1 3.92Å; W396-W404 HydrophobicContact CZ3-CD2 4.17Å; W396-W404 AromaticContact CZ3-CG 3.58Å; W396-W404 HydrophobicContact CZ3-CG 3.58Å; D400-W404 PolarHBondContact O-N 2.95Å; V401-W404 PolarHBondContact O-N 2.91Å; W404-S406 PolarHBondContact O-N 3.45Å; W404-Q407 WeakPolarHBondContact O-CB 3.34Å; W404-Q407 PolarHBondContact O-N 3.33Å; W404-I408 HydrophobicContact CD2-CG2 4.32Å; W404-I408 HydrophobicContact CE3-CD1 4.19Å; W404-I408 HydrophobicContact CH2-CD1 3.6Å; W404-I408 HydrophobicContact CZ2-CD1 3.94Å; W404-I408 HydrophobicContact CZ2-CG2 3.99Å; W404-I408 HydrophobicContact CZ3-CD1 3.73Å; W404-I408 WeakPolarHBondContact O-CG1 3.38Å; W404-I408 PolarHBondContact O-N 2.88Å; W404-L427 HydrophobicContact CE3-CD1 4.45Å; W404-L427 HydrophobicContact CE3-CD2 3.91Å; W404-L427 HydrophobicContact CZ3-CD1 3.95Å; W404-L427 HydrophobicContact CZ3-CD2 4.07Å; W404-F450 HydrophobicContact CH2-CZ 4.26Å; W404-F450 HydrophobicContact CZ3-CE1 4.41Å; W404-F450 HydrophobicContact CZ3-CE2 4Å; W404-F450 AromaticContact CZ3-CZ 3.67Å; W404-F450 HydrophobicContact CZ3-CZ 3.67Å; W404-E453 HydrophobicContact CH2-CB 4.5Å; W404-E453 HydrophobicContact CZ2-CB 4.31Å; W404-L454 HydrophobicContact CH2-CB 4.19Å; W404-L454 HydrophobicContact CH2-CD1 4.28Å; W404-L457 HydrophobicContact CD2-CD2 4.17Å; W404-L457 HydrophobicContact CH2-CD2 4.3Å; W404-L457 HydrophobicContact CZ2-CB 3.88Å; W404-L457 HydrophobicContact CZ2-CD2 3.86Å; W404-L457 HydrophobicContact CZ2-CG 4.39Å
405	V	93.7	Very high	92.9	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-56.7	-40.1	177.8	169.9	0	0	0	0	111.3	V401 Y403 I408 F410 F417 F450	V401-V405 HydrophobicContact CG1-CG2 4.23Å; V401-V405 WeakPolarHBondContact O-CB 3.28Å; V401-V405 VanDerWaalsContact O-CG2 3.27Å; V401-V405 WeakPolarHBondContact O-CG2 3.07Å; V401-V405 PolarHBondContact O-N 3.03Å; Y403-V405 PolarHBondContact O-N 2.81Å; V405-I408 WeakPolarHBondContact O-CG1 3.44Å; V405-F410 HydrophobicContact CG1-CB 3.81Å; V405-F410 WeakPolarHBondContact CG1-O 3.4Å; V405-F410 CarbonylContact O-C 3.54Å; V405-F410 WeakPolarHBondContact O-CA 3.32Å; V405-F410 WeakPolarHBondContact O-CB 3.35Å; V405-F410 PolarHBondContact O-N 3.48Å; V405-F417 HydrophobicContact CG1-CD2 4.17Å; V405-F417 HydrophobicContact CG1-CE2 4.3Å; V405-F417 HydrophobicContact CG2-CD1 4.13Å; V405-F417 HydrophobicContact CG2-CD2 4.03Å; V405-F417 HydrophobicContact CG2-CE1 4.26Å; V405-F417 HydrophobicContact CG2-CE2 4.14Å; V405-F417 HydrophobicContact CG2-CG 4.03Å; V405-F417 HydrophobicContact CG2-CZ 4.28Å; V405-F450 HydrophobicContact CG2-CE2 4.26Å
406	S	90.4	Very high	93	Very high	35 Å²	35	51.9 Å²	51.9	25%	0.245	27%	0.273	C	S	.	.	I	π-helix	trans	-67.3	-43.4	174.8	-63.4	0	0	0	0	112.1	Q402 Y403 W404 I408 G409	Q402-S406 PolarHBondContact O-N 2.91Å; Q402-S406 VanDerWaalsContact O-N 3.15Å; Q402-S406 PolarHBondContact O-OG 3.45Å; Y403-S406 WeakPolarHBondContact O-CB 3.37Å; Y403-S406 PolarHBondContact O-N 2.81Å; W404-S406 PolarHBondContact O-N 3.45Å; S406-I408 PolarHBondContact O-N 3.49Å; S406-G409 PolarHBondContact O-N 3.36Å; S406-G409 VanDerWaalsContact O-N 3.14Å
407	Q	85.2	Confident	93.1	Very high	100 Å²	100	51.4 Å²	51.4	47%	0.467	27%	0.271	S	S	.	.	I	π-helix	trans	-62.7	-37.7	179.8	-69.7	-55.5	-62.7	0	0	113.3	Y403 W404 G409	Y403-Q407 HydrophobicContact CD1-CG 4.03Å; Y403-Q407 HydrophobicContact CE1-CG 3.69Å; Y403-Q407 WeakPolarHBondContact O-CG 3.42Å; Y403-Q407 PolarHBondContact O-N 3.15Å; W404-Q407 WeakPolarHBondContact O-CB 3.34Å; W404-Q407 PolarHBondContact O-N 3.33Å; Q407-G409 PolarHBondContact O-N 3.45Å
408	I	88.1	Confident	93.1	Very high	36 Å²	36	51.4 Å²	51.4	19%	0.185	27%	0.272	C	S	.	.	I	π-helix	trans	-78.7	7.7	178.5	62.6	155.6	0	0	0	113.7	W404 V405 S406 F410 F450 E453	W404-I408 HydrophobicContact CD2-CG2 4.32Å; W404-I408 HydrophobicContact CE3-CD1 4.19Å; W404-I408 HydrophobicContact CH2-CD1 3.6Å; W404-I408 HydrophobicContact CZ2-CD1 3.94Å; W404-I408 HydrophobicContact CZ2-CG2 3.99Å; W404-I408 HydrophobicContact CZ3-CD1 3.73Å; W404-I408 WeakPolarHBondContact O-CG1 3.38Å; W404-I408 PolarHBondContact O-N 2.88Å; V405-I408 WeakPolarHBondContact O-CG1 3.44Å; S406-I408 PolarHBondContact O-N 3.49Å; I408-F410 HydrophobicContact CD1-CD2 3.65Å; I408-F410 HydrophobicContact CD1-CE2 4.18Å; I408-F410 HydrophobicContact CD1-CG 4.42Å; I408-F410 HydrophobicContact CG1-CB 4.47Å; I408-F410 HydrophobicContact CG1-CD2 3.82Å; I408-F410 WeakPolarHBondContact O-CD2 3.39Å; I408-F450 HydrophobicContact CD1-CD2 3.92Å; I408-F450 HydrophobicContact CD1-CE2 3.88Å; I408-E453 HydrophobicContact CB-CB 4.38Å; I408-E453 HydrophobicContact CB-CG 4.31Å; I408-E453 HydrophobicContact CD1-CB 3.87Å; I408-E453 HydrophobicContact CD1-CG 4.26Å; I408-E453 HydrophobicContact CG2-CB 4.34Å
409	G	89.5	Confident	93.1	Very high	61 Å²	61	56.6 Å²	56.6	63%	0.629	29%	0.294	S	S	*	.	I	π-helix	trans	83.6	21.3	176.7	0	0	0	0	0	114.6	S406 Q407	S406-G409 PolarHBondContact O-N 3.36Å; S406-G409 VanDerWaalsContact O-N 3.14Å; Q407-G409 PolarHBondContact O-N 3.45Å
410	F	93.7	Very high	93.2	Very high	9 Å²	9	55.3 Å²	55.3	4%	0.039	29%	0.288	C	S	.	.	I	π-helix	trans	-111.8	25	177.2	-72.8	-97.9	0	0	0	112.5	V405 I408 K412 Y413 M441 L446 R449 F450	V405-F410 HydrophobicContact CG1-CB 3.81Å; V405-F410 WeakPolarHBondContact CG1-O 3.4Å; V405-F410 CarbonylContact O-C 3.54Å; V405-F410 WeakPolarHBondContact O-CA 3.32Å; V405-F410 WeakPolarHBondContact O-CB 3.35Å; V405-F410 PolarHBondContact O-N 3.48Å; I408-F410 HydrophobicContact CD1-CD2 3.65Å; I408-F410 HydrophobicContact CD1-CE2 4.18Å; I408-F410 HydrophobicContact CD1-CG 4.42Å; I408-F410 HydrophobicContact CG1-CB 4.47Å; I408-F410 HydrophobicContact CG1-CD2 3.82Å; I408-F410 WeakPolarHBondContact O-CD2 3.39Å; F410-K412 PolarHBondContact O-N 3.33Å; F410-Y413 HydrophobicContact CB-CD2 4.28Å; F410-Y413 AromaticContact CD1-CD2 3.9Å; F410-Y413 HydrophobicContact CD1-CD2 3.9Å; F410-Y413 HydrophobicContact CD1-CE2 4.09Å; F410-Y413 PolarHBondContact O-N 3.26Å; F410-M441 HydrophobicContact CD1-CE 3.75Å; F410-M441 HydrophobicContact CD1-SD 4.34Å; F410-M441 HydrophobicContact CE1-CE 3.98Å; F410-M441 HydrophobicContact CE1-SD 3.97Å; F410-L446 HydrophobicContact CE1-CB 4.49Å; F410-R449 HydrophobicContact CZ-CB 3.91Å; F410-F450 HydrophobicContact CB-CD2 4.49Å; F410-F450 HydrophobicContact CD1-CD2 4.04Å; F410-F450 HydrophobicContact CD2-CD2 4.14Å; F410-F450 HydrophobicContact CE1-CB 3.94Å; F410-F450 HydrophobicContact CE1-CD2 4.23Å; F410-F450 HydrophobicContact CE2-CB 4.33Å; F410-F450 HydrophobicContact CE2-CD2 4.32Å; F410-F450 AromaticContact CG-CD2 3.99Å; F410-F450 HydrophobicContact CG-CD2 3.99Å; F410-F450 HydrophobicContact CZ-CB 3.8Å; F410-F450 HydrophobicContact CZ-CD2 4.36Å
411	E	93.2	Very high	93.4	Very high	142 Å²	142	61.7 Å²	61.7	66%	0.664	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-45.4	-38.7	-179.1	-176.2	-178.7	-173.8	0	0	113.9	Y413 S414	E411-Y413 PolarHBondContact O-N 2.95Å; E411-Y413 VanDerWaalsContact O-N 3.09Å; E411-S414 WeakPolarHBondContact O-CB 3.31Å; E411-S414 PolarHBondContact O-N 3.24Å
412	K	95	Very high	93.5	Very high	175 Å²	175	62 Å²	62	76%	0.761	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-53.7	-31.6	176	-178.7	179.2	176.3	-176.2	0	113.7	F410	F410-K412 PolarHBondContact O-N 3.33Å
413	Y	95.8	Very high	93.6	Very high	31 Å²	31	62.5 Å²	62.5	12%	0.122	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-93.3	-10.9	-179.5	-60.2	-85.7	0	0	0	112.6	F410 E411 P415 L416 F417 I439 M441 L446	F410-Y413 HydrophobicContact CB-CD2 4.28Å; F410-Y413 AromaticContact CD1-CD2 3.9Å; F410-Y413 HydrophobicContact CD1-CD2 3.9Å; F410-Y413 HydrophobicContact CD1-CE2 4.09Å; F410-Y413 PolarHBondContact O-N 3.26Å; E411-Y413 PolarHBondContact O-N 2.95Å; E411-Y413 VanDerWaalsContact O-N 3.09Å; Y413-P415 VanDerWaalsContact C-CD 3.46Å; Y413-P415 VanDerWaalsContact C-N 3.34Å; Y413-L416 HydrophobicContact CD1-CD1 3.98Å; Y413-L416 WeakPolarHBondContact O-CA 3.41Å; Y413-L416 WeakPolarHBondContact O-CB 3.27Å; Y413-L416 PolarHBondContact O-N 3.49Å; Y413-F417 WeakPolarHBondContact O-CD2 3.31Å; Y413-F417 PolarHBondContact O-N 2.97Å; Y413-I439 HydrophobicContact CD1-CG2 4.27Å; Y413-M441 HydrophobicContact CD1-CE 4.09Å; Y413-M441 HydrophobicContact CD2-CE 3.87Å; Y413-M441 HydrophobicContact CE1-CB 4.13Å; Y413-M441 HydrophobicContact CE1-CE 4.26Å; Y413-M441 HydrophobicContact CE1-CG 3.97Å; Y413-M441 HydrophobicContact CE2-CE 4.01Å; Y413-M441 HydrophobicContact CE2-CG 4.45Å; Y413-M441 HydrophobicContact CG-CE 3.91Å; Y413-L446 WeakPolarHBondContact OH-CD1 3.06Å
414	S	93.6	Very high	93.9	Very high	10 Å²	10	59.8 Å²	59.8	7%	0.07	31%	0.31	C	S	.	.	H	α-helix	trans	-53.3	-40.3	-177.9	-173.3	0	0	0	0	113.9	Q402 E411 L416 F417 S418	Q402-S414 WeakPolarHBondContact CA-OG 3.05Å; Q402-S414 WeakPolarHBondContact CB-OG 3.38Å; Q402-S414 PolarHBondContact NE2-O 3.07Å; Q402-S414 VanDerWaalsContact NE2-O 3.16Å; Q402-S414 PolarHBondContact O-OG 2.91Å; E411-S414 WeakPolarHBondContact O-CB 3.31Å; E411-S414 PolarHBondContact O-N 3.24Å; S414-L416 VanDerWaalsContact C-N 3.3Å; S414-L416 PolarHBondContact O-N 3.04Å; S414-F417 PolarHBondContact O-N 3.32Å; S414-S418 PolarHBondContact O-N 2.82Å
415	P	95.9	Very high	94	Very high	83 Å²	83	61.2 Å²	61.2	54%	0.539	32%	0.32	S	S	.	.	H	α-helix	trans	-62.8	-33.7	173.9	-23.4	35	0	0	0	113.7	Y413 S418 E419	Y413-P415 VanDerWaalsContact C-CD 3.46Å; Y413-P415 VanDerWaalsContact C-N 3.34Å; P415-S418 PolarHBondContact O-N 3.19Å; P415-E419 PolarHBondContact O-N 3.3Å
416	L	96.3	Very high	94.2	Very high	61 Å²	61	65.3 Å²	65.3	32%	0.319	34%	0.341	S	S	.	.	H	α-helix	trans	-73.6	-36.2	-177.6	-60.4	168.6	0	0	0	111.5	Y413 S414 S418 E419 Q420 I439	Y413-L416 HydrophobicContact CD1-CD1 3.98Å; Y413-L416 WeakPolarHBondContact O-CA 3.41Å; Y413-L416 WeakPolarHBondContact O-CB 3.27Å; Y413-L416 PolarHBondContact O-N 3.49Å; S414-L416 VanDerWaalsContact C-N 3.3Å; S414-L416 PolarHBondContact O-N 3.04Å; L416-S418 VanDerWaalsContact C-N 3.29Å; L416-S418 PolarHBondContact O-N 2.8Å; L416-E419 PolarHBondContact O-N 3.42Å; L416-Q420 WeakPolarHBondContact O-CG 3.22Å; L416-Q420 PolarHBondContact O-N 3.27Å; L416-I439 HydrophobicContact CB-CG2 4.44Å; L416-I439 WeakPolarHBondContact CD1-O 3.41Å
417	F	96.8	Very high	94.5	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-61.9	-38.7	171.4	-83	-98.7	0	0	0	111.6	V401 V405 Y413 S414 K421 V422 L427 L430 L435 I439 F450	V401-F417 HydrophobicContact CG1-CB 4.44Å; V401-F417 HydrophobicContact CG1-CD1 3.91Å; V401-F417 HydrophobicContact CG1-CG 4.5Å; V405-F417 HydrophobicContact CG1-CD2 4.17Å; V405-F417 HydrophobicContact CG1-CE2 4.3Å; V405-F417 HydrophobicContact CG2-CD1 4.13Å; V405-F417 HydrophobicContact CG2-CD2 4.03Å; V405-F417 HydrophobicContact CG2-CE1 4.26Å; V405-F417 HydrophobicContact CG2-CE2 4.14Å; V405-F417 HydrophobicContact CG2-CG 4.03Å; V405-F417 HydrophobicContact CG2-CZ 4.28Å; Y413-F417 WeakPolarHBondContact O-CD2 3.31Å; Y413-F417 PolarHBondContact O-N 2.97Å; S414-F417 PolarHBondContact O-N 3.32Å; F417-K421 PolarHBondContact O-N 3.13Å; F417-K421 VanDerWaalsContact O-N 3.11Å; F417-V422 HydrophobicContact CB-CB 4.48Å; F417-V422 HydrophobicContact CD1-CB 3.85Å; F417-V422 HydrophobicContact CD1-CG1 3.91Å; F417-V422 HydrophobicContact CD1-CG2 3.95Å; F417-V422 HydrophobicContact CE1-CG1 4.35Å; F417-V422 PolarHBondContact O-N 3.32Å; F417-L427 HydrophobicContact CE1-CD1 4.28Å; F417-L430 HydrophobicContact CE1-CD2 3.92Å; F417-L430 HydrophobicContact CZ-CD2 4.24Å; F417-L435 HydrophobicContact CZ-CD2 3.98Å; F417-I439 HydrophobicContact CD1-CD1 4.3Å; F417-I439 HydrophobicContact CD2-CD1 4.25Å; F417-I439 HydrophobicContact CD2-CG2 4.01Å; F417-I439 HydrophobicContact CE1-CD1 4.36Å; F417-I439 HydrophobicContact CE2-CD1 4.34Å; F417-I439 HydrophobicContact CE2-CG1 4.34Å; F417-I439 HydrophobicContact CE2-CG2 3.53Å; F417-I439 HydrophobicContact CG-CD1 4.23Å; F417-I439 HydrophobicContact CZ-CD1 4.37Å; F417-I439 HydrophobicContact CZ-CG1 4.2Å; F417-I439 HydrophobicContact CZ-CG2 4.11Å; F417-F450 HydrophobicContact CE1-CE2 4.46Å; F417-F450 AromaticContact CE1-CZ 3.81Å; F417-F450 HydrophobicContact CE1-CZ 3.81Å; F417-F450 HydrophobicContact CE2-CE2 4.12Å; F417-F450 HydrophobicContact CE2-CZ 4.24Å; F417-F450 HydrophobicContact CZ-CE1 4.13Å; F417-F450 AromaticContact CZ-CE2 3.65Å; F417-F450 HydrophobicContact CZ-CE2 3.65Å; F417-F450 AromaticContact CZ-CZ 3.32Å; F417-F450 HydrophobicContact CZ-CZ 3.32Å
418	S	95.3	Very high	95	Very high	43 Å²	43	58.9 Å²	58.9	30%	0.301	31%	0.307	S	S	.	.	H	α-helix	trans	-72.6	-38.6	176.4	176.9	0	0	0	0	113.8	S414 P415 L416 Q420 K421	S414-S418 PolarHBondContact O-N 2.82Å; P415-S418 PolarHBondContact O-N 3.19Å; L416-S418 VanDerWaalsContact C-N 3.29Å; L416-S418 PolarHBondContact O-N 2.8Å; S418-Q420 VanDerWaalsContact C-N 3.27Å; S418-Q420 PolarHBondContact O-N 3.3Å; S418-K421 WeakPolarHBondContact O-CA 3.38Å; S418-K421 PolarHBondContact O-N 3.24Å
419	E	95.9	Very high	95.3	Very high	137 Å²	137	60 Å²	60	64%	0.64	31%	0.313	S	S	*	.	H	α-helix	trans	-58.6	-41.9	173.8	-174.6	178	179.3	0	0	111.3	P415 L416 K421	P415-E419 PolarHBondContact O-N 3.3Å; L416-E419 PolarHBondContact O-N 3.42Å; E419-K421 PolarHBondContact O-N 3.17Å
420	Q	96.2	Very high	95.6	Very high	93 Å²	93	57.8 Å²	57.8	44%	0.435	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	0.6	174.8	-60.8	-54.1	-37	0	0	113.7	L416 S418 V422 I439	L416-Q420 WeakPolarHBondContact O-CG 3.22Å; L416-Q420 PolarHBondContact O-N 3.27Å; S418-Q420 VanDerWaalsContact C-N 3.27Å; S418-Q420 PolarHBondContact O-N 3.3Å; Q420-V422 HydrophobicContact CB-CG2 3.95Å; Q420-V422 PolarHBondContact O-N 2.69Å; Q420-I439 HydrophobicContact CB-CD1 4.29Å; Q420-I439 HydrophobicContact CG-CD1 4.06Å
421	K	96.2	Very high	95.6	Very high	153 Å²	153	60.1 Å²	60.1	67%	0.665	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	42	-178.6	-57.9	-175.6	178.3	-176.7	0	113.4	V398 F417 S418 E419 D423	V398-K421 HydrophobicContact CG2-CB 4.32Å; F417-K421 PolarHBondContact O-N 3.13Å; F417-K421 VanDerWaalsContact O-N 3.11Å; S418-K421 WeakPolarHBondContact O-CA 3.38Å; S418-K421 PolarHBondContact O-N 3.24Å; E419-K421 PolarHBondContact O-N 3.17Å; K421-D423 PolarHBondContact O-N 3.28Å
422	V	97	Very high	95.7	Very high	8 Å²	8	56.6 Å²	56.6	5%	0.048	29%	0.288	C	S	.	.			trans	-70.3	111.9	177.6	-175.7	0	0	0	0	108.7	V401 F417 Q420 L426 L427 I439	V401-V422 WeakPolarHBondContact CB-O 3.5Å; V401-V422 HydrophobicContact CG1-CB 4.45Å; V401-V422 HydrophobicContact CG1-CG1 4.25Å; V401-V422 WeakPolarHBondContact CG2-O 3.07Å; F417-V422 HydrophobicContact CB-CB 4.48Å; F417-V422 HydrophobicContact CD1-CB 3.85Å; F417-V422 HydrophobicContact CD1-CG1 3.91Å; F417-V422 HydrophobicContact CD1-CG2 3.95Å; F417-V422 HydrophobicContact CE1-CG1 4.35Å; F417-V422 PolarHBondContact O-N 3.32Å; Q420-V422 HydrophobicContact CB-CG2 3.95Å; Q420-V422 PolarHBondContact O-N 2.69Å; V422-L426 HydrophobicContact CG1-CB 3.99Å; V422-L427 HydrophobicContact CG1-CB 4.13Å; V422-I439 HydrophobicContact CG2-CD1 4.21Å
423	D	96.5	Very high	95.7	Very high	58 Å²	58	50.6 Å²	50.6	31%	0.31	27%	0.27	S	S	.	.			trans	-97.2	-175.2	170.9	61.5	7	0	0	0	110.8	V398 K421 D425 L426 L427	V398-D423 HydrophobicContact CG2-CB 4.43Å; K421-D423 PolarHBondContact O-N 3.28Å; D423-D425 VanDerWaalsContact C-N 3.32Å; D423-D425 PolarHBondContact O-N 3.46Å; D423-L426 PolarHBondContact O-N 3.26Å; D423-L426 WeakPolarHBondContact OD1-CB 3.25Å; D423-L426 WeakPolarHBondContact OD1-CG 3.45Å; D423-L426 PolarHBondContact OD1-N 3.36Å; D423-L426 VanDerWaalsContact OD1-N 3.08Å; D423-L427 VanDerWaalsContact O-CB 3.25Å; D423-L427 WeakPolarHBondContact O-CB 3.41Å; D423-L427 PolarHBondContact O-N 3.1Å
424	G	95.4	Very high	95.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-59.4	-39.4	-178	0	0	0	0	0	114.6	V393 W396 L427 L428	V393-G424 VanDerWaalsContact O-CA 3.22Å; V393-G424 WeakPolarHBondContact O-CA 3.44Å; W396-G424 PolarHBondContact O-N 3.15Å; G424-L427 PolarHBondContact O-N 3.49Å; G424-L428 VanDerWaalsContact O-CG 3.27Å; G424-L428 WeakPolarHBondContact O-CG 3.47Å; G424-L428 PolarHBondContact O-N 3.32Å
425	D	94.8	Very high	95.9	Very high	51 Å²	51	51.9 Å²	51.9	27%	0.273	28%	0.276	S	S	.	.	H	α-helix	trans	-62.7	-53.7	178.2	-178.4	41.4	0	0	0	111.1	D423 L427 L428 L429 Y487	D423-D425 VanDerWaalsContact C-N 3.32Å; D423-D425 PolarHBondContact O-N 3.46Å; D425-L427 VanDerWaalsContact C-N 3.32Å; D425-L427 PolarHBondContact O-N 2.98Å; D425-L428 PolarHBondContact O-N 3.43Å; D425-L429 PolarHBondContact O-N 3.01Å; D425-Y487 WeakPolarHBondContact OD1-CE1 3.26Å; D425-Y487 VanDerWaalsContact OD1-CZ 3.29Å; D425-Y487 PolarHBondContact OD1-OH 3.43Å
426	L	96.5	Very high	95.9	Very high	85 Å²	85	52 Å²	52	45%	0.445	27%	0.27	S	S	.	.	H	α-helix	trans	-62.6	-38.1	176.5	-69.8	176.6	0	0	0	112.3	V422 D423 L428 L429 L430	V422-L426 HydrophobicContact CG1-CB 3.99Å; D423-L426 PolarHBondContact O-N 3.26Å; D423-L426 WeakPolarHBondContact OD1-CB 3.25Å; D423-L426 WeakPolarHBondContact OD1-CG 3.45Å; D423-L426 PolarHBondContact OD1-N 3.36Å; D423-L426 VanDerWaalsContact OD1-N 3.08Å; L426-L428 VanDerWaalsContact C-N 3.35Å; L426-L428 PolarHBondContact O-N 3.34Å; L426-L429 PolarHBondContact O-N 2.96Å; L426-L430 PolarHBondContact O-N 3.47Å
427	L	97	Very high	95.9	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-61.8	-42.6	178.2	180	64.2	0	0	0	111.6	W396 V401 W404 F417 V422 D423 G424 D425 L429 L430 F450 L454 L457	W396-L427 HydrophobicContact CE3-CD2 4.18Å; W396-L427 HydrophobicContact CZ3-CD2 4.1Å; V401-L427 HydrophobicContact CG1-CD2 4.27Å; V401-L427 HydrophobicContact CG2-CB 4.37Å; V401-L427 HydrophobicContact CG2-CD2 4.07Å; W404-L427 HydrophobicContact CE3-CD1 4.45Å; W404-L427 HydrophobicContact CE3-CD2 3.91Å; W404-L427 HydrophobicContact CZ3-CD1 3.95Å; W404-L427 HydrophobicContact CZ3-CD2 4.07Å; F417-L427 HydrophobicContact CE1-CD1 4.28Å; V422-L427 HydrophobicContact CG1-CB 4.13Å; D423-L427 VanDerWaalsContact O-CB 3.25Å; D423-L427 WeakPolarHBondContact O-CB 3.41Å; D423-L427 PolarHBondContact O-N 3.1Å; G424-L427 PolarHBondContact O-N 3.49Å; D425-L427 VanDerWaalsContact C-N 3.32Å; D425-L427 PolarHBondContact O-N 2.98Å; L427-L429 PolarHBondContact O-N 3.28Å; L427-L430 HydrophobicContact CD1-CD2 4.38Å; L427-L430 WeakPolarHBondContact O-CB 3.34Å; L427-L430 PolarHBondContact O-N 3.37Å; L427-F450 HydrophobicContact CD1-CZ 4.24Å; L427-L454 HydrophobicContact CD1-CD1 3.99Å; L427-L454 HydrophobicContact CG-CD1 3.88Å; L427-L457 HydrophobicContact CD2-CD2 3.79Å
428	L	96	Very high	95.9	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-69.9	-19.9	179.9	-71.3	171.4	0	0	0	113.1	V393 P394 G424 D425 L426 K458 Y463 Y487	V393-L428 HydrophobicContact CB-CD1 4.05Å; V393-L428 HydrophobicContact CB-CD2 4.24Å; V393-L428 HydrophobicContact CB-CG 4.37Å; V393-L428 HydrophobicContact CG1-CD1 3.88Å; V393-L428 HydrophobicContact CG1-CD2 3.76Å; V393-L428 HydrophobicContact CG1-CG 3.73Å; P394-L428 HydrophobicContact CB-CD1 4.42Å; P394-L428 HydrophobicContact CG-CD1 3.79Å; G424-L428 VanDerWaalsContact O-CG 3.27Å; G424-L428 WeakPolarHBondContact O-CG 3.47Å; G424-L428 PolarHBondContact O-N 3.32Å; D425-L428 PolarHBondContact O-N 3.43Å; L426-L428 VanDerWaalsContact C-N 3.35Å; L426-L428 PolarHBondContact O-N 3.34Å; L428-K458 HydrophobicContact CD2-CG 3.79Å; L428-K458 WeakPolarHBondContact O-CE 3.37Å; L428-K458 PolarHBondContact O-NZ 2.97Å; L428-Y463 HydrophobicContact CD1-CE1 4.21Å; L428-Y487 HydrophobicContact CB-CD1 3.4Å; L428-Y487 VanDerWaalsContact CB-CD1 3.4Å; L428-Y487 HydrophobicContact CB-CE1 3.8Å; L428-Y487 HydrophobicContact CB-CG 4.01Å; L428-Y487 HydrophobicContact CD1-CD1 3.76Å; L428-Y487 HydrophobicContact CD1-CD2 3.83Å; L428-Y487 HydrophobicContact CD1-CE1 3.91Å; L428-Y487 HydrophobicContact CD1-CE2 3.99Å; L428-Y487 HydrophobicContact CD1-CG 3.71Å; L428-Y487 HydrophobicContact CG-CD1 4.23Å; L428-Y487 HydrophobicContact CG-CG 4.44Å
429	L	95.1	Very high	95.9	Very high	58 Å²	58	59.7 Å²	59.7	30%	0.304	29%	0.294	S	S	.	.	H	α-helix	trans	-102.3	-4.6	177.6	-61.8	174.3	0	0	0	113.6	D425 L426 L427 T431 Y487 E491	D425-L429 PolarHBondContact O-N 3.01Å; L426-L429 PolarHBondContact O-N 2.96Å; L427-L429 PolarHBondContact O-N 3.28Å; L429-T431 PolarHBondContact O-N 3.27Å; L429-Y487 HydrophobicContact CD1-CE1 4.39Å; L429-Y487 HydrophobicContact CD2-CD1 4.01Å; L429-Y487 HydrophobicContact CD2-CE1 4.4Å; L429-Y487 HydrophobicContact CG-CD1 4.16Å; L429-Y487 HydrophobicContact CG-CE1 4.14Å; L429-E491 HydrophobicContact CD1-CG 4.02Å; L429-E491 HydrophobicContact CD2-CB 4.48Å; L429-E491 HydrophobicContact CD2-CG 4.49Å
430	L	95.1	Very high	95.8	Very high	15 Å²	15	55 Å²	55	8%	0.079	28%	0.282	C	S	.	.			trans	-58.6	134.1	-174.6	-163.6	69.4	0	0	0	113.4	F417 L426 L427 E434 L435 F450 L454	F417-L430 HydrophobicContact CE1-CD2 3.92Å; F417-L430 HydrophobicContact CZ-CD2 4.24Å; L426-L430 PolarHBondContact O-N 3.47Å; L427-L430 HydrophobicContact CD1-CD2 4.38Å; L427-L430 WeakPolarHBondContact O-CB 3.34Å; L427-L430 PolarHBondContact O-N 3.37Å; L430-E434 HydrophobicContact CD1-CB 3.87Å; L430-L435 HydrophobicContact CD2-CD1 4.47Å; L430-L435 HydrophobicContact CD2-CD2 3.58Å; L430-L435 HydrophobicContact CD2-CG 3.83Å; L430-L435 HydrophobicContact CG-CD2 4.43Å; L430-L435 HydrophobicContact CG-CG 4.18Å; L430-F450 HydrophobicContact CD2-CE1 3.97Å; L430-F450 HydrophobicContact CD2-CZ 4.48Å; L430-L454 HydrophobicContact CB-CD2 4.28Å
431	T	94	Very high	95.8	Very high	59 Å²	59	50.5 Å²	50.5	36%	0.362	26%	0.261	S	S	.	.			trans	-109.1	161.9	-178.4	68	0	0	0	0	113.1	L429 A433 E434 L435	L429-T431 PolarHBondContact O-N 3.27Å; T431-A433 PolarHBondContact O-N 2.73Å; T431-E434 WeakPolarHBondContact CB-OE2 3.39Å; T431-E434 WeakPolarHBondContact CG2-OE2 3.49Å; T431-E434 PolarHBondContact N-OE2 3.11Å; T431-E434 PolarHBondContact O-N 2.82Å; T431-E434 WeakPolarHBondContact OG1-CG 3.41Å; T431-E434 PolarHBondContact OG1-N 3.3Å; T431-E434 PolarHBondContact OG1-OE2 3.43Å; T431-L435 PolarHBondContact O-N 3.29Å; T431-L435 VanDerWaalsContact O-N 3.08Å
432	D	94.8	Very high	95.7	Very high	68 Å²	68	53.5 Å²	53.5	36%	0.364	27%	0.268	S	S	.	.	H	α-helix	trans	-58.1	-34.1	174.8	-174.9	76.7	0	0	0	112.3	E436 R447	D432-E436 PolarHBondContact O-N 3.19Å; D432-E436 VanDerWaalsContact O-N 3.12Å; D432-R447 VanDerWaalsContact CG-NE 3.33Å; D432-R447 WeakPolarHBondContact O-CD 3.41Å; D432-R447 VanDerWaalsContact OD1-CB 3.27Å; D432-R447 WeakPolarHBondContact OD1-CB 3.41Å; D432-R447 WeakPolarHBondContact OD1-CD 3.4Å; D432-R447 IonicContact OD1-CZ 3.74Å; D432-R447 IonicContact OD1-NE 3.17Å; D432-R447 PolarHBondContact OD1-NE 3.4Å; D432-R447 IonicContact OD1-NH2 3.4Å; D432-R447 IonicContact OD2-CZ 3.31Å; D432-R447 IonicContact OD2-NE 2.8Å; D432-R447 PolarHBondContact OD2-NE 2.94Å; D432-R447 IonicContact OD2-NH2 3.85Å; D432-R447 PolarHBondContact OD2-NH2 2.76Å
433	A	95.4	Very high	95.7	Very high	48 Å²	48	55.6 Å²	55.6	40%	0.397	28%	0.283	S	S	.	.	H	α-helix	trans	-70.1	-38.2	-179.6	0	0	0	0	0	112.3	T431 E436 R437	T431-A433 PolarHBondContact O-N 2.73Å; A433-E436 PolarHBondContact O-N 3.42Å; A433-R437 WeakPolarHBondContact O-CB 3.43Å; A433-R437 WeakPolarHBondContact O-CG 3.14Å; A433-R437 PolarHBondContact O-N 3.45Å
434	E	96.3	Very high	95.6	Very high	68 Å²	68	54.6 Å²	54.6	32%	0.318	29%	0.287	S	S	.	.	H	α-helix	trans	-72.5	-37.8	176.7	-70	152.5	166.5	0	0	111.4	L430 T431 E436 R437 D438 I439	L430-E434 HydrophobicContact CD1-CB 3.87Å; T431-E434 WeakPolarHBondContact CB-OE2 3.39Å; T431-E434 WeakPolarHBondContact CG2-OE2 3.49Å; T431-E434 PolarHBondContact N-OE2 3.11Å; T431-E434 PolarHBondContact O-N 2.82Å; T431-E434 WeakPolarHBondContact OG1-CG 3.41Å; T431-E434 PolarHBondContact OG1-N 3.3Å; T431-E434 PolarHBondContact OG1-OE2 3.43Å; E434-E436 PolarHBondContact O-N 3.45Å; E434-R437 PolarHBondContact O-N 3.06Å; E434-D438 WeakPolarHBondContact CA-OD2 3.26Å; E434-D438 WeakPolarHBondContact O-CB 3.3Å; E434-D438 PolarHBondContact O-N 3.15Å; E434-I439 PolarHBondContact O-N 3.12Å
435	L	96.4	Very high	95.6	Very high	0 Å²	0	61 Å²	61	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-57.9	-38.2	170.7	-78.5	171.4	0	0	0	112.2	F417 L430 T431 I439 G440 M441 R447 F450 M451	F417-L435 HydrophobicContact CZ-CD2 3.98Å; L430-L435 HydrophobicContact CD2-CD1 4.47Å; L430-L435 HydrophobicContact CD2-CD2 3.58Å; L430-L435 HydrophobicContact CD2-CG 3.83Å; L430-L435 HydrophobicContact CG-CD2 4.43Å; L430-L435 HydrophobicContact CG-CG 4.18Å; T431-L435 PolarHBondContact O-N 3.29Å; T431-L435 VanDerWaalsContact O-N 3.08Å; L435-I439 HydrophobicContact CD2-CB 4.43Å; L435-I439 HydrophobicContact CD2-CG1 4.27Å; L435-G440 PolarHBondContact O-N 2.92Å; L435-M441 HydrophobicContact CD2-CE 4.37Å; L435-M441 WeakPolarHBondContact O-CB 3.3Å; L435-M441 PolarHBondContact O-N 3.46Å; L435-R447 HydrophobicContact CB-CG 4.11Å; L435-F450 HydrophobicContact CD1-CD1 3.61Å; L435-F450 HydrophobicContact CD1-CE1 4.19Å; L435-F450 HydrophobicContact CD1-CG 4.36Å; L435-F450 HydrophobicContact CD2-CD1 3.84Å; L435-F450 HydrophobicContact CD2-CE1 3.86Å; L435-F450 HydrophobicContact CD2-CG 4.36Å; L435-F450 HydrophobicContact CD2-CZ 4.37Å; L435-F450 HydrophobicContact CG-CD1 4.37Å; L435-M451 HydrophobicContact CD1-CG 4.01Å; L435-M451 HydrophobicContact CD1-SD 3.58Å; L435-M451 VanDerWaalsContact CD1-SD 3.58Å
436	E	97.6	Very high	95.6	Very high	85 Å²	85	61 Å²	61	40%	0.397	32%	0.32	S	S	.	.	H	α-helix	trans	-73.5	-51.2	177.7	-179	155.8	-142.4	0	0	112.9	D432 A433 E434 G440 R447	D432-E436 PolarHBondContact O-N 3.19Å; D432-E436 VanDerWaalsContact O-N 3.12Å; A433-E436 PolarHBondContact O-N 3.42Å; E434-E436 PolarHBondContact O-N 3.45Å; E436-G440 WeakPolarHBondContact O-CA 3.32Å; E436-R447 IonicContact OE1-CZ 3.66Å; E436-R447 IonicContact OE1-NH1 2.73Å; E436-R447 PolarHBondContact OE1-NH1 3.13Å; E436-R447 IonicContact OE1-NH2 2.8Å; E436-R447 IonicContact OE2-CZ 3.24Å; E436-R447 VanDerWaalsContact OE2-CZ 3.31Å; E436-R447 IonicContact OE2-NH1 3.27Å; E436-R447 PolarHBondContact OE2-NH1 3.25Å; E436-R447 IonicContact OE2-NH2 3.68Å; E436-R447 PolarHBondContact OE2-NH2 2.95Å
437	R	95.9	Very high	95.7	Very high	185 Å²	185	57.8 Å²	57.8	70%	0.698	30%	0.302	S	S	*	.	H	α-helix	trans	-80.4	-44.1	-170.4	-67.1	-173.2	-52.4	174.5	6.3	113	A433 E434	A433-R437 WeakPolarHBondContact O-CB 3.43Å; A433-R437 WeakPolarHBondContact O-CG 3.14Å; A433-R437 PolarHBondContact O-N 3.45Å; E434-R437 PolarHBondContact O-N 3.06Å
438	D	95.7	Very high	95.6	Very high	77 Å²	77	65.2 Å²	65.2	41%	0.412	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-40.5	-164.1	-52.5	-57.3	0	0	0	111.3	E434	E434-D438 WeakPolarHBondContact CA-OD2 3.26Å; E434-D438 WeakPolarHBondContact O-CB 3.3Å; E434-D438 PolarHBondContact O-N 3.15Å
439	I	95.7	Very high	95.6	Very high	5 Å²	5	71.5 Å²	71.5	3%	0.026	36%	0.358	C	S	.	.	S	Bend	trans	-83.8	-17.9	172.9	-54.6	-59.6	0	0	0	111.9	Y413 L416 F417 Q420 V422 E434 L435	Y413-I439 HydrophobicContact CD1-CG2 4.27Å; L416-I439 HydrophobicContact CB-CG2 4.44Å; L416-I439 WeakPolarHBondContact CD1-O 3.41Å; F417-I439 HydrophobicContact CD1-CD1 4.3Å; F417-I439 HydrophobicContact CD2-CD1 4.25Å; F417-I439 HydrophobicContact CD2-CG2 4.01Å; F417-I439 HydrophobicContact CE1-CD1 4.36Å; F417-I439 HydrophobicContact CE2-CD1 4.34Å; F417-I439 HydrophobicContact CE2-CG1 4.34Å; F417-I439 HydrophobicContact CE2-CG2 3.53Å; F417-I439 HydrophobicContact CG-CD1 4.23Å; F417-I439 HydrophobicContact CZ-CD1 4.37Å; F417-I439 HydrophobicContact CZ-CG1 4.2Å; F417-I439 HydrophobicContact CZ-CG2 4.11Å; Q420-I439 HydrophobicContact CB-CD1 4.29Å; Q420-I439 HydrophobicContact CG-CD1 4.06Å; V422-I439 HydrophobicContact CG2-CD1 4.21Å; E434-I439 PolarHBondContact O-N 3.12Å; L435-I439 HydrophobicContact CD2-CB 4.43Å; L435-I439 HydrophobicContact CD2-CG1 4.27Å
440	G	94.5	Very high	95.7	Very high	37 Å²	37	68.7 Å²	68.7	38%	0.381	34%	0.343	S	S	.	.			trans	77.7	20.5	176.7	0	0	0	0	0	114.8	L435 E436 R442	L435-G440 PolarHBondContact O-N 2.92Å; E436-G440 WeakPolarHBondContact O-CA 3.32Å; G440-R442 VanDerWaalsContact C-N 3.32Å; G440-R442 PolarHBondContact O-N 2.96Å
441	M	95.7	Very high	95.7	Very high	0 Å²	0	70 Å²	70	0%	0	35%	0.349	C	S	.	.			trans	-79.3	75.8	178.8	-158.6	-179.8	-64.4	0	0	111	F410 Y413 L435 S443 L446 R447 F450	F410-M441 HydrophobicContact CD1-CE 3.75Å; F410-M441 HydrophobicContact CD1-SD 4.34Å; F410-M441 HydrophobicContact CE1-CE 3.98Å; F410-M441 HydrophobicContact CE1-SD 3.97Å; Y413-M441 HydrophobicContact CD1-CE 4.09Å; Y413-M441 HydrophobicContact CD2-CE 3.87Å; Y413-M441 HydrophobicContact CE1-CB 4.13Å; Y413-M441 HydrophobicContact CE1-CE 4.26Å; Y413-M441 HydrophobicContact CE1-CG 3.97Å; Y413-M441 HydrophobicContact CE2-CE 4.01Å; Y413-M441 HydrophobicContact CE2-CG 4.45Å; Y413-M441 HydrophobicContact CG-CE 3.91Å; L435-M441 HydrophobicContact CD2-CE 4.37Å; L435-M441 WeakPolarHBondContact O-CB 3.3Å; L435-M441 PolarHBondContact O-N 3.46Å; M441-S443 VanDerWaalsContact C-N 3.3Å; M441-S443 PolarHBondContact O-N 3.24Å; M441-L446 HydrophobicContact CG-CB 3.95Å; M441-L446 HydrophobicContact SD-CB 3.85Å; M441-R447 HydrophobicContact CB-CG 3.83Å; M441-R447 HydrophobicContact CG-CG 3.8Å; M441-R447 WeakPolarHBondContact O-CD 3.47Å; M441-R447 WeakPolarHBondContact O-CG 3.36Å; M441-R447 PolarHBondContact O-NH1 2.69Å; M441-R447 HydrophobicContact SD-CB 4.44Å; M441-R447 HydrophobicContact SD-CG 3.9Å; M441-F450 HydrophobicContact CE-CB 4.34Å; M441-F450 HydrophobicContact CE-CD2 4.06Å; M441-F450 HydrophobicContact CE-CG 4.3Å; M441-F450 HydrophobicContact SD-CB 4.17Å
442	R	95	Very high	95.7	Very high	216 Å²	216	73.9 Å²	73.9	82%	0.815	36%	0.358	S	S	*	.			trans	-63.2	-27	-173.1	-61.6	-175.4	-175.6	179.5	0.8	115.3	G440 G444 R447	G440-R442 VanDerWaalsContact C-N 3.32Å; G440-R442 PolarHBondContact O-N 2.96Å; R442-G444 PolarHBondContact O-N 3.05Å; R442-R447 PolarHBondContact O-NH1 3.44Å
443	S	95.5	Very high	95.6	Very high	51 Å²	51	73.5 Å²	73.5	36%	0.357	35%	0.354	S	S	.	.			trans	-79.1	112.8	-180	178.1	0	0	0	0	110.3	M441 L445 L446 R447	M441-S443 VanDerWaalsContact C-N 3.3Å; M441-S443 PolarHBondContact O-N 3.24Å; S443-L445 PolarHBondContact O-N 3.32Å; S443-L445 VanDerWaalsContact O-N 3.14Å; S443-L446 PolarHBondContact O-N 3.26Å; S443-L446 PolarHBondContact OG-N 3.13Å; S443-R447 PolarHBondContact O-N 3.42Å
444	G	95.9	Very high	95.6	Very high	38 Å²	38	71.2 Å²	71.2	39%	0.392	34%	0.335	S	S	.	.	H	α-helix	trans	-58.1	-26.5	175	0	0	0	0	0	113.8	R442 K448	R442-G444 PolarHBondContact O-N 3.05Å; G444-K448 VanDerWaalsContact O-CB 3.27Å; G444-K448 WeakPolarHBondContact O-CB 3.43Å; G444-K448 PolarHBondContact O-N 2.64Å
445	L	95.4	Very high	95.5	Very high	134 Å²	134	72.6 Å²	72.6	70%	0.702	34%	0.341	S	S	*	.	H	α-helix	trans	-71.5	-38.3	173.3	-68.4	178.2	0	0	0	112.5	S443 R449	S443-L445 PolarHBondContact O-N 3.32Å; S443-L445 VanDerWaalsContact O-N 3.14Å; L445-R449 WeakPolarHBondContact O-CG 3.48Å; L445-R449 PolarHBondContact O-N 3.21Å
446	L	95	Very high	95.2	Very high	52 Å²	52	75.6 Å²	75.6	27%	0.272	36%	0.362	S	S	.	.	H	α-helix	trans	-67.7	-43.9	175.2	-69.4	180	0	0	0	110.7	F410 Y413 M441 S443 K448 R449 F450	F410-L446 HydrophobicContact CE1-CB 4.49Å; Y413-L446 WeakPolarHBondContact OH-CD1 3.06Å; M441-L446 HydrophobicContact CG-CB 3.95Å; M441-L446 HydrophobicContact SD-CB 3.85Å; S443-L446 PolarHBondContact O-N 3.26Å; S443-L446 PolarHBondContact OG-N 3.13Å; L446-K448 VanDerWaalsContact C-N 3.34Å; L446-K448 PolarHBondContact O-N 3.27Å; L446-R449 WeakPolarHBondContact O-CB 3.28Å; L446-R449 PolarHBondContact O-N 3.05Å; L446-R449 VanDerWaalsContact O-N 3.14Å; L446-F450 PolarHBondContact O-N 2.64Å
447	R	97.2	Very high	95	Very high	17 Å²	17	72.6 Å²	72.6	6%	0.064	35%	0.349	C	S	.	.	H	α-helix	trans	-60.4	-44.1	174.9	-63	-164.5	-54.5	-106	22.1	111.8	D432 L435 E436 M441 R442 S443 R449 F450 M451	D432-R447 VanDerWaalsContact CG-NE 3.33Å; D432-R447 WeakPolarHBondContact O-CD 3.41Å; D432-R447 VanDerWaalsContact OD1-CB 3.27Å; D432-R447 WeakPolarHBondContact OD1-CB 3.41Å; D432-R447 WeakPolarHBondContact OD1-CD 3.4Å; D432-R447 IonicContact OD1-CZ 3.74Å; D432-R447 IonicContact OD1-NE 3.17Å; D432-R447 PolarHBondContact OD1-NE 3.4Å; D432-R447 IonicContact OD1-NH2 3.4Å; D432-R447 IonicContact OD2-CZ 3.31Å; D432-R447 IonicContact OD2-NE 2.8Å; D432-R447 PolarHBondContact OD2-NE 2.94Å; D432-R447 IonicContact OD2-NH2 3.85Å; D432-R447 PolarHBondContact OD2-NH2 2.76Å; L435-R447 HydrophobicContact CB-CG 4.11Å; E436-R447 IonicContact OE1-CZ 3.66Å; E436-R447 IonicContact OE1-NH1 2.73Å; E436-R447 PolarHBondContact OE1-NH1 3.13Å; E436-R447 IonicContact OE1-NH2 2.8Å; E436-R447 IonicContact OE2-CZ 3.24Å; E436-R447 VanDerWaalsContact OE2-CZ 3.31Å; E436-R447 IonicContact OE2-NH1 3.27Å; E436-R447 PolarHBondContact OE2-NH1 3.25Å; E436-R447 IonicContact OE2-NH2 3.68Å; E436-R447 PolarHBondContact OE2-NH2 2.95Å; M441-R447 HydrophobicContact CB-CG 3.83Å; M441-R447 HydrophobicContact CG-CG 3.8Å; M441-R447 WeakPolarHBondContact O-CD 3.47Å; M441-R447 WeakPolarHBondContact O-CG 3.36Å; M441-R447 PolarHBondContact O-NH1 2.69Å; M441-R447 HydrophobicContact SD-CB 4.44Å; M441-R447 HydrophobicContact SD-CG 3.9Å; R442-R447 PolarHBondContact O-NH1 3.44Å; S443-R447 PolarHBondContact O-N 3.42Å; R447-R449 VanDerWaalsContact C-N 3.29Å; R447-R449 PolarHBondContact O-N 3.28Å; R447-F450 WeakPolarHBondContact O-CB 3.02Å; R447-F450 PolarHBondContact O-N 3.2Å; R447-F450 VanDerWaalsContact O-N 3.12Å; R447-M451 WeakPolarHBondContact O-CB 3.45Å; R447-M451 WeakPolarHBondContact O-CG 3.38Å; R447-M451 PolarHBondContact O-N 2.99Å
448	K	95.7	Very high	94.9	Very high	156 Å²	156	64.8 Å²	64.8	68%	0.678	32%	0.32	S	S	*	.	H	α-helix	trans	-60.8	-36.6	175.2	-170.3	170.2	-174.3	172.3	0	113	G444 L446 R452	G444-K448 VanDerWaalsContact O-CB 3.27Å; G444-K448 WeakPolarHBondContact O-CB 3.43Å; G444-K448 PolarHBondContact O-N 2.64Å; L446-K448 VanDerWaalsContact C-N 3.34Å; L446-K448 PolarHBondContact O-N 3.27Å; K448-R452 PolarHBondContact O-N 3.41Å
449	R	95.5	Very high	94.7	Very high	132 Å²	132	64.9 Å²	64.9	50%	0.498	32%	0.319	S	S	.	.	H	α-helix	trans	-66.1	-46.4	172.5	-76.9	177.5	62.7	-171.5	-3	111.1	F410 L445 L446 R447 R452 E453	F410-R449 HydrophobicContact CZ-CB 3.91Å; L445-R449 WeakPolarHBondContact O-CG 3.48Å; L445-R449 PolarHBondContact O-N 3.21Å; L446-R449 WeakPolarHBondContact O-CB 3.28Å; L446-R449 PolarHBondContact O-N 3.05Å; L446-R449 VanDerWaalsContact O-N 3.14Å; R447-R449 VanDerWaalsContact C-N 3.29Å; R447-R449 PolarHBondContact O-N 3.28Å; R449-R452 WeakPolarHBondContact O-CB 3.34Å; R449-R452 PolarHBondContact O-N 3.38Å; R449-E453 PolarHBondContact O-N 3.25Å
450	F	96.9	Very high	94.3	Very high	0 Å²	0	67 Å²	67	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-60.6	-49.2	178.4	-174.5	-84.4	0	0	0	111.6	W404 V405 I408 F410 F417 L427 L430 L435 M441 L446 R447 R452 E453 L454	W404-F450 HydrophobicContact CH2-CZ 4.26Å; W404-F450 HydrophobicContact CZ3-CE1 4.41Å; W404-F450 HydrophobicContact CZ3-CE2 4Å; W404-F450 AromaticContact CZ3-CZ 3.67Å; W404-F450 HydrophobicContact CZ3-CZ 3.67Å; V405-F450 HydrophobicContact CG2-CE2 4.26Å; I408-F450 HydrophobicContact CD1-CD2 3.92Å; I408-F450 HydrophobicContact CD1-CE2 3.88Å; F410-F450 HydrophobicContact CB-CD2 4.49Å; F410-F450 HydrophobicContact CD1-CD2 4.04Å; F410-F450 HydrophobicContact CD2-CD2 4.14Å; F410-F450 HydrophobicContact CE1-CB 3.94Å; F410-F450 HydrophobicContact CE1-CD2 4.23Å; F410-F450 HydrophobicContact CE2-CB 4.33Å; F410-F450 HydrophobicContact CE2-CD2 4.32Å; F410-F450 AromaticContact CG-CD2 3.99Å; F410-F450 HydrophobicContact CG-CD2 3.99Å; F410-F450 HydrophobicContact CZ-CB 3.8Å; F410-F450 HydrophobicContact CZ-CD2 4.36Å; F417-F450 HydrophobicContact CE1-CE2 4.46Å; F417-F450 AromaticContact CE1-CZ 3.81Å; F417-F450 HydrophobicContact CE1-CZ 3.81Å; F417-F450 HydrophobicContact CE2-CE2 4.12Å; F417-F450 HydrophobicContact CE2-CZ 4.24Å; F417-F450 HydrophobicContact CZ-CE1 4.13Å; F417-F450 AromaticContact CZ-CE2 3.65Å; F417-F450 HydrophobicContact CZ-CE2 3.65Å; F417-F450 AromaticContact CZ-CZ 3.32Å; F417-F450 HydrophobicContact CZ-CZ 3.32Å; L427-F450 HydrophobicContact CD1-CZ 4.24Å; L430-F450 HydrophobicContact CD2-CE1 3.97Å; L430-F450 HydrophobicContact CD2-CZ 4.48Å; L435-F450 HydrophobicContact CD1-CD1 3.61Å; L435-F450 HydrophobicContact CD1-CE1 4.19Å; L435-F450 HydrophobicContact CD1-CG 4.36Å; L435-F450 HydrophobicContact CD2-CD1 3.84Å; L435-F450 HydrophobicContact CD2-CE1 3.86Å; L435-F450 HydrophobicContact CD2-CG 4.36Å; L435-F450 HydrophobicContact CD2-CZ 4.37Å; L435-F450 HydrophobicContact CG-CD1 4.37Å; M441-F450 HydrophobicContact CE-CB 4.34Å; M441-F450 HydrophobicContact CE-CD2 4.06Å; M441-F450 HydrophobicContact CE-CG 4.3Å; M441-F450 HydrophobicContact SD-CB 4.17Å; L446-F450 PolarHBondContact O-N 2.64Å; R447-F450 WeakPolarHBondContact O-CB 3.02Å; R447-F450 PolarHBondContact O-N 3.2Å; R447-F450 VanDerWaalsContact O-N 3.12Å; F450-R452 PolarHBondContact O-N 3.3Å; F450-E453 PolarHBondContact O-N 2.89Å; F450-L454 HydrophobicContact CE1-CB 4.43Å; F450-L454 HydrophobicContact CE1-CD2 4.41Å; F450-L454 PolarHBondContact O-N 3.11Å
451	M	95.3	Very high	94.1	Very high	42 Å²	42	65.7 Å²	65.7	21%	0.207	32%	0.322	C	S	.	.	H	α-helix	trans	-57.2	-36	178.2	-71.6	-57.2	-65.8	0	0	112.2	L435 R447 L454 E455	L435-M451 HydrophobicContact CD1-CG 4.01Å; L435-M451 HydrophobicContact CD1-SD 3.58Å; L435-M451 VanDerWaalsContact CD1-SD 3.58Å; R447-M451 WeakPolarHBondContact O-CB 3.45Å; R447-M451 WeakPolarHBondContact O-CG 3.38Å; R447-M451 PolarHBondContact O-N 2.99Å; M451-L454 HydrophobicContact CE-CD2 4.46Å; M451-L454 PolarHBondContact O-N 3.31Å; M451-L454 HydrophobicContact SD-CD2 4.22Å; M451-E455 WeakPolarHBondContact O-CB 3.42Å; M451-E455 VanDerWaalsContact O-CG 3.28Å; M451-E455 WeakPolarHBondContact O-CG 3.26Å; M451-E455 PolarHBondContact O-N 3.09Å
452	R	93.4	Very high	93.8	Very high	141 Å²	141	67.7 Å²	67.7	53%	0.532	33%	0.333	S	S	.	.	H	α-helix	trans	-66.9	-40.1	175.3	-173	-173.7	65.9	-168	0.2	112.5	K448 R449 F450 L454 S456	K448-R452 PolarHBondContact O-N 3.41Å; R449-R452 WeakPolarHBondContact O-CB 3.34Å; R449-R452 PolarHBondContact O-N 3.38Å; F450-R452 PolarHBondContact O-N 3.3Å; R452-L454 VanDerWaalsContact C-N 3.33Å; R452-S456 PolarHBondContact O-N 2.92Å; R452-S456 VanDerWaalsContact O-N 3.1Å
453	E	93.8	Very high	93.7	Very high	60 Å²	60	57.6 Å²	57.6	28%	0.28	30%	0.295	S	S	.	.	H	α-helix	trans	-67.6	-37.8	174.5	-55.5	-50.8	138.1	0	0	110.7	W404 I408 R449 F450 S456 L457	W404-E453 HydrophobicContact CH2-CB 4.5Å; W404-E453 HydrophobicContact CZ2-CB 4.31Å; I408-E453 HydrophobicContact CB-CB 4.38Å; I408-E453 HydrophobicContact CB-CG 4.31Å; I408-E453 HydrophobicContact CD1-CB 3.87Å; I408-E453 HydrophobicContact CD1-CG 4.26Å; I408-E453 HydrophobicContact CG2-CB 4.34Å; R449-E453 PolarHBondContact O-N 3.25Å; F450-E453 PolarHBondContact O-N 2.89Å; E453-S456 WeakPolarHBondContact O-CB 3.35Å; E453-S456 PolarHBondContact O-N 3.18Å; E453-L457 PolarHBondContact O-N 3.3Å
454	L	95.3	Very high	93.3	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-65.5	-42.9	174.9	-179.3	59.7	0	0	0	112.3	W404 L427 L430 F450 M451 R452 S456 L457 K458	W404-L454 HydrophobicContact CH2-CB 4.19Å; W404-L454 HydrophobicContact CH2-CD1 4.28Å; L427-L454 HydrophobicContact CD1-CD1 3.99Å; L427-L454 HydrophobicContact CG-CD1 3.88Å; L430-L454 HydrophobicContact CB-CD2 4.28Å; F450-L454 HydrophobicContact CE1-CB 4.43Å; F450-L454 HydrophobicContact CE1-CD2 4.41Å; F450-L454 PolarHBondContact O-N 3.11Å; M451-L454 HydrophobicContact CE-CD2 4.46Å; M451-L454 PolarHBondContact O-N 3.31Å; M451-L454 HydrophobicContact SD-CD2 4.22Å; R452-L454 VanDerWaalsContact C-N 3.33Å; L454-S456 VanDerWaalsContact C-N 3.25Å; L454-S456 PolarHBondContact O-N 2.85Å; L454-L457 HydrophobicContact CD1-CD2 4.26Å; L454-L457 WeakPolarHBondContact O-CB 3.18Å; L454-L457 PolarHBondContact O-N 2.95Å; L454-L457 VanDerWaalsContact O-N 3.09Å; L454-K458 WeakPolarHBondContact O-CG 3.41Å; L454-K458 PolarHBondContact O-N 3.27Å
455	E	93.7	Very high	92.9	Very high	96 Å²	96	60.5 Å²	60.5	45%	0.449	31%	0.305	S	S	.	.	H	α-helix	trans	-57.3	-42.3	172	-75.6	173.4	175.5	0	0	110.8	M451 L457 K458 M459 V484	M451-E455 WeakPolarHBondContact O-CB 3.42Å; M451-E455 VanDerWaalsContact O-CG 3.28Å; M451-E455 WeakPolarHBondContact O-CG 3.26Å; M451-E455 PolarHBondContact O-N 3.09Å; E455-L457 VanDerWaalsContact C-N 3.32Å; E455-L457 PolarHBondContact O-N 2.9Å; E455-K458 PolarHBondContact O-N 2.88Å; E455-M459 WeakPolarHBondContact O-CE 3.26Å; E455-M459 WeakPolarHBondContact O-CG 3.38Å; E455-M459 PolarHBondContact O-N 3.39Å; E455-M459 VanDerWaalsContact O-N 3.08Å; E455-V484 HydrophobicContact CB-CG2 4.18Å; E455-V484 HydrophobicContact CG-CG2 4.01Å
456	S	91	Very high	92.8	Very high	64 Å²	64	56.6 Å²	56.6	45%	0.448	29%	0.287	S	S	.	.	H	α-helix	trans	-62.6	-37.8	175	-166.5	0	0	0	0	112.6	R452 E453 L454 A460	R452-S456 PolarHBondContact O-N 2.92Å; R452-S456 VanDerWaalsContact O-N 3.1Å; E453-S456 WeakPolarHBondContact O-CB 3.35Å; E453-S456 PolarHBondContact O-N 3.18Å; L454-S456 VanDerWaalsContact C-N 3.25Å; L454-S456 PolarHBondContact O-N 2.85Å; S456-A460 WeakPolarHBondContact O-CB 3.27Å; S456-A460 PolarHBondContact O-N 3.07Å
457	L	92.9	Very high	92.6	Very high	21 Å²	21	54.4 Å²	54.4	11%	0.11	28%	0.276	C	S	.	.	H	α-helix	trans	-65.5	-48.4	174.8	-179.2	66.8	0	0	0	111	V393 W396 W404 L427 E453 L454 E455 M459 A460 A461	V393-L457 HydrophobicContact CG1-CD2 3.99Å; V393-L457 HydrophobicContact CG1-CG 4.43Å; V393-L457 HydrophobicContact CG2-CD1 3.83Å; V393-L457 HydrophobicContact CG2-CD2 4.41Å; V393-L457 HydrophobicContact CG2-CG 4.06Å; W396-L457 HydrophobicContact CH2-CD1 3.56Å; W396-L457 HydrophobicContact CH2-CD2 3.92Å; W396-L457 HydrophobicContact CH2-CG 4.39Å; W396-L457 HydrophobicContact CZ2-CD1 4.12Å; W396-L457 HydrophobicContact CZ3-CD1 4.33Å; W396-L457 HydrophobicContact CZ3-CD2 3.82Å; W404-L457 HydrophobicContact CD2-CD2 4.17Å; W404-L457 HydrophobicContact CH2-CD2 4.3Å; W404-L457 HydrophobicContact CZ2-CB 3.88Å; W404-L457 HydrophobicContact CZ2-CD2 3.86Å; W404-L457 HydrophobicContact CZ2-CG 4.39Å; L427-L457 HydrophobicContact CD2-CD2 3.79Å; E453-L457 PolarHBondContact O-N 3.3Å; L454-L457 HydrophobicContact CD1-CD2 4.26Å; L454-L457 WeakPolarHBondContact O-CB 3.18Å; L454-L457 PolarHBondContact O-N 2.95Å; L454-L457 VanDerWaalsContact O-N 3.09Å; E455-L457 VanDerWaalsContact C-N 3.32Å; E455-L457 PolarHBondContact O-N 2.9Å; L457-M459 VanDerWaalsContact C-N 3.29Å; L457-M459 PolarHBondContact O-N 2.91Å; L457-A460 CarbonylContact O-C 3.19Å; L457-A460 PolarHBondContact O-N 3.42Å; L457-A461 PolarHBondContact O-N 3.23Å
458	K	94.4	Very high	92.1	Very high	22 Å²	22	62.5 Å²	62.5	10%	0.096	31%	0.314	C	S	.	.	H	α-helix	trans	-58.5	-39.8	-179.9	-68.5	-174.6	-171	-163.3	0	112.7	L428 L454 E455 A460 Y463 V484	L428-K458 HydrophobicContact CD2-CG 3.79Å; L428-K458 WeakPolarHBondContact O-CE 3.37Å; L428-K458 PolarHBondContact O-NZ 2.97Å; L454-K458 WeakPolarHBondContact O-CG 3.41Å; L454-K458 PolarHBondContact O-N 3.27Å; E455-K458 PolarHBondContact O-N 2.88Å; K458-A460 VanDerWaalsContact C-N 3.26Å; K458-A460 PolarHBondContact O-N 2.92Å; K458-Y463 WeakPolarHBondContact CA-OH 3.43Å; K458-Y463 WeakPolarHBondContact O-CE2 3.41Å; K458-Y463 PolarHBondContact O-OH 3.18Å; K458-V484 HydrophobicContact CB-CG2 4.08Å; K458-V484 HydrophobicContact CD-CG2 4Å
459	M	91	Very high	91.5	Very high	79 Å²	79	57.4 Å²	57.4	39%	0.389	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-18	177.9	-69.9	-177.3	-69.7	0	0	113.8	E455 L457 Q481 V484	E455-M459 WeakPolarHBondContact O-CE 3.26Å; E455-M459 WeakPolarHBondContact O-CG 3.38Å; E455-M459 PolarHBondContact O-N 3.39Å; E455-M459 VanDerWaalsContact O-N 3.08Å; L457-M459 VanDerWaalsContact C-N 3.29Å; L457-M459 PolarHBondContact O-N 2.91Å; M459-Q481 HydrophobicContact SD-CB 3.97Å; M459-V484 HydrophobicContact CG-CB 4Å
460	A	86.5	Confident	91.1	Very high	50 Å²	50	56.4 Å²	56.4	41%	0.413	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-3.6	-178.2	0	0	0	0	0	113.1	S456 L457 K458	S456-A460 WeakPolarHBondContact O-CB 3.27Å; S456-A460 PolarHBondContact O-N 3.07Å; L457-A460 CarbonylContact O-C 3.19Å; L457-A460 PolarHBondContact O-N 3.42Å; K458-A460 VanDerWaalsContact C-N 3.26Å; K458-A460 PolarHBondContact O-N 2.92Å
461	A	90.8	Very high	90.8	Very high	8 Å²	8	56.4 Å²	56.4	7%	0.066	30%	0.297	C	S	.	.			trans	-75.2	146.5	-177.5	0	0	0	0	0	111.7	Q391 V393 L457 Y463	Q391-A461 WeakPolarHBondContact O-CA 3.43Å; V393-A461 HydrophobicContact CB-CB 4.1Å; V393-A461 HydrophobicContact CG2-CB 3.59Å; L457-A461 PolarHBondContact O-N 3.23Å; A461-Y463 HydrophobicContact CB-CE1 3.99Å; A461-Y463 HydrophobicContact CB-CE2 3.92Å
462	D	89.1	Confident	90.5	Very high	43 Å²	43	55.9 Å²	55.9	23%	0.23	30%	0.295	C	S	.	.			trans	-92.4	114.9	172	175	16.5	0	0	0	109.6	Q391 Q392 T464	Q391-D462 HydrophobicContact CB-CB 3.85Å; Q391-D462 PolarHBondContact O-N 2.92Å; Q392-D462 HydrophobicContact CG-CB 4.17Å; D462-T464 VanDerWaalsContact CG-OG1 3.31Å; D462-T464 VanDerWaalsContact OD1-CB 3.26Å; D462-T464 WeakPolarHBondContact OD1-CB 3.44Å; D462-T464 WeakPolarHBondContact OD1-CG2 3.49Å; D462-T464 PolarHBondContact OD1-N 3.36Å; D462-T464 PolarHBondContact OD1-OG1 3.38Å; D462-T464 PolarHBondContact OD2-OG1 3.06Å
463	Y	92.8	Very high	90.2	Very high	4 Å²	4	56.4 Å²	56.4	2%	0.016	30%	0.297	C	S	.	.			trans	-102.3	5.7	179.3	-57.3	-71.5	0	0	0	113.4	P394 L428 K458 A461 S465 V466 D467 D472 T486 Y487	P394-Y463 HydrophobicContact CG-CD1 4.1Å; P394-Y463 HydrophobicContact CG-CE1 4.38Å; L428-Y463 HydrophobicContact CD1-CE1 4.21Å; K458-Y463 WeakPolarHBondContact CA-OH 3.43Å; K458-Y463 WeakPolarHBondContact O-CE2 3.41Å; K458-Y463 PolarHBondContact O-OH 3.18Å; A461-Y463 HydrophobicContact CB-CE1 3.99Å; A461-Y463 HydrophobicContact CB-CE2 3.92Å; Y463-S465 PolarHBondContact O-N 3.41Å; Y463-V466 HydrophobicContact CD1-CG2 4.38Å; Y463-V466 WeakPolarHBondContact O-CG2 3.48Å; Y463-V466 PolarHBondContact O-N 3.28Å; Y463-D467 WeakPolarHBondContact O-CB 3.35Å; Y463-D467 PolarHBondContact O-N 2.92Å; Y463-D472 HydrophobicContact CD2-CB 4.31Å; Y463-T486 HydrophobicContact CD1-CG2 4.44Å; Y463-T486 HydrophobicContact CD2-CG2 3.54Å; Y463-T486 HydrophobicContact CE2-CG2 3.96Å; Y463-T486 HydrophobicContact CG-CG2 3.79Å; Y463-Y487 AromaticContact CD1-CD2 3.81Å; Y463-Y487 HydrophobicContact CD1-CD2 3.81Å; Y463-Y487 AromaticContact CE1-CD2 3.71Å; Y463-Y487 HydrophobicContact CE1-CD2 3.71Å; Y463-Y487 HydrophobicContact CE1-CG 4.03Å
464	T	87.6	Confident	89.9	Confident	94 Å²	94	54.2 Å²	54.2	58%	0.577	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-24.9	-173	52.5	0	0	0	0	114.6	D462	D462-T464 VanDerWaalsContact CG-OG1 3.31Å; D462-T464 VanDerWaalsContact OD1-CB 3.26Å; D462-T464 WeakPolarHBondContact OD1-CB 3.44Å; D462-T464 WeakPolarHBondContact OD1-CG2 3.49Å; D462-T464 PolarHBondContact OD1-N 3.36Å; D462-T464 PolarHBondContact OD1-OG1 3.38Å; D462-T464 PolarHBondContact OD2-OG1 3.06Å
465	S	88.4	Confident	89.6	Confident	55 Å²	55	54.2 Å²	54.2	39%	0.385	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-17.2	177.1	41.6	0	0	0	0	114.5	Q392 F395 Y463	Q392-S465 PolarHBondContact OE1-OG 2.85Å; F395-S465 VanDerWaalsContact CE2-OG 3.24Å; F395-S465 WeakPolarHBondContact CE2-OG 3.47Å; Y463-S465 PolarHBondContact O-N 3.41Å
466	V	92.1	Very high	89.3	Confident	53 Å²	53	52.4 Å²	52.4	32%	0.321	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	-16.7	179.7	-62.9	0	0	0	0	113.3	P394 F395 Y463 Y487 L490	P394-V466 HydrophobicContact CG-CG2 4.42Å; F395-V466 HydrophobicContact CE2-CG1 4.35Å; Y463-V466 HydrophobicContact CD1-CG2 4.38Å; Y463-V466 WeakPolarHBondContact O-CG2 3.48Å; Y463-V466 PolarHBondContact O-N 3.28Å; V466-Y487 HydrophobicContact CG2-CD2 4.47Å; V466-Y487 HydrophobicContact CG2-CE2 4.33Å; V466-L490 HydrophobicContact CG2-CD1 4.02Å
467	D	90.7	Very high	88.8	Confident	6 Å²	6	53.6 Å²	53.6	3%	0.032	29%	0.29	C	S	.	.			trans	-102.8	79.4	-178.6	-174.6	9.2	0	0	0	112.2	Y463 T469 H470 L471 D472 L490	Y463-D467 WeakPolarHBondContact O-CB 3.35Å; Y463-D467 PolarHBondContact O-N 2.92Å; D467-T469 PolarHBondContact O-N 2.91Å; D467-T469 PolarHBondContact OD1-N 2.74Å; D467-T469 PolarHBondContact OD1-OG1 3.35Å; D467-H470 PolarHBondContact O-N 2.79Å; D467-H470 PolarHBondContact OD1-N 2.77Å; D467-H470 VanDerWaalsContact OD2-C 3.24Å; D467-H470 VanDerWaalsContact OD2-CA 3.32Å; D467-H470 WeakPolarHBondContact OD2-CA 3.35Å; D467-L471 WeakPolarHBondContact OD1-CB 3.44Å; D467-L471 PolarHBondContact OD1-N 3.23Å; D467-L471 WeakPolarHBondContact OD2-CA 3.12Å; D467-L471 PolarHBondContact OD2-N 3.05Å; D467-D472 PolarHBondContact OD2-N 3.12Å; D467-L490 HydrophobicContact CB-CD1 3.74Å; D467-L490 HydrophobicContact CB-CD2 4.32Å
468	E	86.5	Confident	88.5	Confident	187 Å²	187	54.1 Å²	54.1	87%	0.874	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-22.8	178.6	-62.3	-172.3	170.6	0	0	113.3
469	T	84.5	Confident	88.2	Confident	49 Å²	49	53.7 Å²	53.7	30%	0.301	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	1.7	-173.6	70.5	0	0	0	0	114.3	D467 L471 D495 R496	D467-T469 PolarHBondContact O-N 2.91Å; D467-T469 PolarHBondContact OD1-N 2.74Å; D467-T469 PolarHBondContact OD1-OG1 3.35Å; T469-L471 VanDerWaalsContact C-N 3.26Å; T469-L471 PolarHBondContact O-N 2.88Å; T469-D495 HydrophobicContact CG2-CB 3.74Å; T469-R496 WeakPolarHBondContact O-CB 3.4Å; T469-R496 WeakPolarHBondContact OG1-CB 3.22Å; T469-R496 PolarHBondContact OG1-N 2.92Å
470	H	86.3	Confident	87.9	Confident	110 Å²	110	54.6 Å²	54.6	51%	0.509	31%	0.306	S	S	.	.			trans	55	39.6	-175.7	-53	-52.9	0	0	0	113.3	D467 D472 R473 F474	D467-H470 PolarHBondContact O-N 2.79Å; D467-H470 PolarHBondContact OD1-N 2.77Å; D467-H470 VanDerWaalsContact OD2-C 3.24Å; D467-H470 VanDerWaalsContact OD2-CA 3.32Å; D467-H470 WeakPolarHBondContact OD2-CA 3.35Å; H470-D472 VanDerWaalsContact C-N 3.32Å; H470-D472 PolarHBondContact O-N 3.38Å; H470-R473 HydrophobicContact CB-CB 4.19Å; H470-R473 PolarHBondContact O-N 3.24Å; H470-F474 PolarHBondContact O-N 3.33Å
471	L	89.8	Confident	88.1	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-54.7	-44.7	171.9	175.5	62.4	0	0	0	112	D467 T469 R473 F474 L475 L489 L490 V494 L499	D467-L471 WeakPolarHBondContact OD1-CB 3.44Å; D467-L471 PolarHBondContact OD1-N 3.23Å; D467-L471 WeakPolarHBondContact OD2-CA 3.12Å; D467-L471 PolarHBondContact OD2-N 3.05Å; T469-L471 VanDerWaalsContact C-N 3.26Å; T469-L471 PolarHBondContact O-N 2.88Å; L471-R473 VanDerWaalsContact C-N 3.31Å; L471-R473 PolarHBondContact O-N 3.45Å; L471-F474 WeakPolarHBondContact O-CB 3.46Å; L471-F474 PolarHBondContact O-N 3.38Å; L471-F474 VanDerWaalsContact O-N 3.09Å; L471-L475 HydrophobicContact CD1-CD1 4.25Å; L471-L475 HydrophobicContact CD1-CG 4.17Å; L471-L475 HydrophobicContact CG-CD1 4Å; L471-L475 HydrophobicContact CG-CG 4.35Å; L471-L475 WeakPolarHBondContact O-CG 3.45Å; L471-L475 PolarHBondContact O-N 3.47Å; L471-L489 HydrophobicContact CD2-CB 3.79Å; L471-L489 HydrophobicContact CD2-CD1 4.23Å; L471-L490 HydrophobicContact CB-CD2 4.42Å; L471-L490 HydrophobicContact CD2-CD2 3.99Å; L471-L490 HydrophobicContact CD2-CG 4.26Å; L471-V494 WeakPolarHBondContact CD2-O 3.49Å; L471-L499 HydrophobicContact CD1-CD2 3.78Å
472	D	90.2	Very high	88.3	Confident	31 Å²	31	56 Å²	56	17%	0.166	30%	0.302	C	S	.	.	H	α-helix	trans	-57.5	-47.2	-179.5	-173.3	65.2	0	0	0	111.2	Y463 D467 H470 F474 L475 V476 S483 T486	Y463-D472 HydrophobicContact CD2-CB 4.31Å; D467-D472 PolarHBondContact OD2-N 3.12Å; H470-D472 VanDerWaalsContact C-N 3.32Å; H470-D472 PolarHBondContact O-N 3.38Å; D472-F474 PolarHBondContact O-N 3.15Å; D472-L475 PolarHBondContact O-N 3.09Å; D472-V476 WeakPolarHBondContact O-CG2 3.49Å; D472-V476 PolarHBondContact O-N 3.49Å; D472-S483 VanDerWaalsContact OD1-CB 3.31Å; D472-S483 WeakPolarHBondContact OD1-CB 3.39Å; D472-S483 PolarHBondContact OD1-OG 3.08Å; D472-T486 HydrophobicContact CB-CG2 3.57Å; D472-T486 WeakPolarHBondContact OD1-CB 3.18Å; D472-T486 PolarHBondContact OD1-OG1 3.43Å
473	R	87.4	Confident	88.4	Confident	152 Å²	152	54 Å²	54	57%	0.574	29%	0.292	S	S	*	.	H	α-helix	trans	-57.8	-40.1	178.3	-174.3	179	-178.3	154.6	5.6	111.3	H470 L471 S477	H470-R473 HydrophobicContact CB-CB 4.19Å; H470-R473 PolarHBondContact O-N 3.24Å; L471-R473 VanDerWaalsContact C-N 3.31Å; L471-R473 PolarHBondContact O-N 3.45Å; R473-S477 WeakPolarHBondContact O-CB 3.31Å; R473-S477 PolarHBondContact O-N 3.43Å; R473-S477 VanDerWaalsContact O-N 3.07Å
474	F	86.9	Confident	88.5	Confident	15 Å²	15	54.9 Å²	54.9	7%	0.066	30%	0.297	C	S	.	.	H	α-helix	trans	-65.7	-48.5	173.8	168.6	-106.6	0	0	0	111.7	H470 L471 D472 V476 S477 V478 R496 L499 L522 I526	H470-F474 PolarHBondContact O-N 3.33Å; L471-F474 WeakPolarHBondContact O-CB 3.46Å; L471-F474 PolarHBondContact O-N 3.38Å; L471-F474 VanDerWaalsContact O-N 3.09Å; D472-F474 PolarHBondContact O-N 3.15Å; F474-V476 VanDerWaalsContact C-N 3.32Å; F474-V476 PolarHBondContact O-N 3.08Å; F474-S477 WeakPolarHBondContact O-CA 3.15Å; F474-S477 WeakPolarHBondContact O-CB 3.4Å; F474-S477 PolarHBondContact O-N 3.02Å; F474-S477 PolarHBondContact O-OG 3.25Å; F474-V478 HydrophobicContact CD2-CG2 4.31Å; F474-V478 HydrophobicContact CE1-CG2 4.06Å; F474-V478 HydrophobicContact CE2-CG2 3.74Å; F474-V478 HydrophobicContact CZ-CG2 3.61Å; F474-V478 PolarHBondContact O-N 2.82Å; F474-V478 VanDerWaalsContact O-N 3.11Å; F474-R496 VanDerWaalsContact CE2-CZ 3.42Å; F474-L499 HydrophobicContact CD1-CD2 3.81Å; F474-L499 HydrophobicContact CE1-CD2 3.53Å; F474-L522 HydrophobicContact CE1-CD1 3.69Å; F474-L522 HydrophobicContact CZ-CD1 4.34Å; F474-I526 HydrophobicContact CZ-CG1 4.4Å
475	L	89.9	Confident	88.9	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-57.8	-46.6	-179.8	-68.4	173.4	0	0	0	111.4	L471 D472 S477 V478 S479 F482 T486 L489 L522	L471-L475 HydrophobicContact CD1-CD1 4.25Å; L471-L475 HydrophobicContact CD1-CG 4.17Å; L471-L475 HydrophobicContact CG-CD1 4Å; L471-L475 HydrophobicContact CG-CG 4.35Å; L471-L475 WeakPolarHBondContact O-CG 3.45Å; L471-L475 PolarHBondContact O-N 3.47Å; D472-L475 PolarHBondContact O-N 3.09Å; L475-S477 VanDerWaalsContact C-N 3.28Å; L475-S477 PolarHBondContact O-N 3.41Å; L475-V478 PolarHBondContact O-N 3.13Å; L475-V478 VanDerWaalsContact O-N 3.13Å; L475-S479 PolarHBondContact O-N 3.28Å; L475-F482 HydrophobicContact CB-CB 3.91Å; L475-F482 HydrophobicContact CD2-CB 4.44Å; L475-T486 WeakPolarHBondContact CD1-OG1 3.48Å; L475-L489 HydrophobicContact CD1-CD1 3.92Å; L475-L489 HydrophobicContact CD2-CD1 4.49Å; L475-L522 HydrophobicContact CD2-CD1 3.65Å; L475-L522 HydrophobicContact CD2-CD2 4.49Å
476	V	86.3	Confident	89.2	Confident	57 Å²	57	49.2 Å²	49.2	35%	0.345	26%	0.257	S	S	.	.	H	α-helix	trans	-58.5	-39.1	174.5	172.7	0	0	0	0	111.7	D472 F474 V478 S479	D472-V476 WeakPolarHBondContact O-CG2 3.49Å; D472-V476 PolarHBondContact O-N 3.49Å; F474-V476 VanDerWaalsContact C-N 3.32Å; F474-V476 PolarHBondContact O-N 3.08Å; V476-V478 VanDerWaalsContact C-N 3.31Å; V476-V478 PolarHBondContact O-N 3.4Å; V476-S479 CarbonylContact O-C 3.45Å; V476-S479 PolarHBondContact O-N 3.37Å
477	S	81.8	Confident	89.4	Confident	89 Å²	89	47.6 Å²	47.6	62%	0.622	25%	0.246	S	C	*	.	H	α-helix	trans	-64.7	-32.8	177.5	79.4	0	0	0	0	113.2	R473 F474 L475	R473-S477 WeakPolarHBondContact O-CB 3.31Å; R473-S477 PolarHBondContact O-N 3.43Å; R473-S477 VanDerWaalsContact O-N 3.07Å; F474-S477 WeakPolarHBondContact O-CA 3.15Å; F474-S477 WeakPolarHBondContact O-CB 3.4Å; F474-S477 PolarHBondContact O-N 3.02Å; F474-S477 PolarHBondContact O-OG 3.25Å; L475-S477 VanDerWaalsContact C-N 3.28Å; L475-S477 PolarHBondContact O-N 3.41Å
478	V	86.2	Confident	89.5	Confident	32 Å²	32	50.2 Å²	50.2	19%	0.194	26%	0.258	C	S	.	.	H	α-helix	trans	-73.7	-45.8	173.8	178.9	0	0	0	0	110.6	F474 L475 V476 F482 K521 S525	F474-V478 HydrophobicContact CD2-CG2 4.31Å; F474-V478 HydrophobicContact CE1-CG2 4.06Å; F474-V478 HydrophobicContact CE2-CG2 3.74Å; F474-V478 HydrophobicContact CZ-CG2 3.61Å; F474-V478 PolarHBondContact O-N 2.82Å; F474-V478 VanDerWaalsContact O-N 3.11Å; L475-V478 PolarHBondContact O-N 3.13Å; L475-V478 VanDerWaalsContact O-N 3.13Å; V476-V478 VanDerWaalsContact C-N 3.31Å; V476-V478 PolarHBondContact O-N 3.4Å; V478-F482 HydrophobicContact CB-CD2 4.01Å; V478-F482 HydrophobicContact CB-CE2 4.21Å; V478-F482 HydrophobicContact CG1-CD2 3.81Å; V478-F482 HydrophobicContact CG1-CE2 3.48Å; V478-F482 VanDerWaalsContact CG1-CE2 3.48Å; V478-F482 HydrophobicContact CG1-CZ 4.46Å; V478-K521 HydrophobicContact CG1-CB 4.3Å; V478-S525 VanDerWaalsContact CG1-OG 3.28Å; V478-S525 WeakPolarHBondContact CG1-OG 3.3Å; V478-S525 WeakPolarHBondContact CG2-OG 3.43Å
479	S	86.6	Confident	89.9	Confident	13 Å²	13	41.3 Å²	41.3	9%	0.091	22%	0.216	C	C	.	.			trans	-162.8	130.8	174.8	-174.8	0	0	0	0	109.4	L475 V476 Q481 F482	L475-S479 PolarHBondContact O-N 3.28Å; V476-S479 CarbonylContact O-C 3.45Å; V476-S479 PolarHBondContact O-N 3.37Å; S479-Q481 PolarHBondContact O-N 3.28Å; S479-Q481 WeakPolarHBondContact OG-CG 3.47Å; S479-F482 WeakPolarHBondContact O-CB 3.43Å; S479-F482 PolarHBondContact O-N 3.25Å
480	P	85.8	Confident	90.3	Very high	98 Å²	98	40.6 Å²	40.6	64%	0.636	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-53.5	-30.7	-179.6	-28.7	35	0	0	0	114	F482	P480-F482 VanDerWaalsContact C-N 3.26Å; P480-F482 PolarHBondContact O-N 3.39Å
481	Q	91.3	Very high	90.6	Very high	86 Å²	86	40.7 Å²	40.7	40%	0.402	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-75.1	-9.8	179.5	77.8	-156.1	20.4	0	0	114.4	M459 S479 S483 V484 H518	M459-Q481 HydrophobicContact SD-CB 3.97Å; S479-Q481 PolarHBondContact O-N 3.28Å; S479-Q481 WeakPolarHBondContact OG-CG 3.47Å; Q481-S483 VanDerWaalsContact C-N 3.3Å; Q481-V484 WeakPolarHBondContact O-CG1 3.47Å; Q481-H518 PolarHBondContact NE2-NE2 3.28Å
482	F	93.4	Very high	90.8	Very high	2 Å²	2	45 Å²	45	1%	0.009	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-79.7	-13	-177.7	-72.6	6.1	0	0	0	113.1	L475 V478 S479 P480 V484 Y485 H518 K521 L522	L475-F482 HydrophobicContact CB-CB 3.91Å; L475-F482 HydrophobicContact CD2-CB 4.44Å; V478-F482 HydrophobicContact CB-CD2 4.01Å; V478-F482 HydrophobicContact CB-CE2 4.21Å; V478-F482 HydrophobicContact CG1-CD2 3.81Å; V478-F482 HydrophobicContact CG1-CE2 3.48Å; V478-F482 VanDerWaalsContact CG1-CE2 3.48Å; V478-F482 HydrophobicContact CG1-CZ 4.46Å; S479-F482 WeakPolarHBondContact O-CB 3.43Å; S479-F482 PolarHBondContact O-N 3.25Å; P480-F482 VanDerWaalsContact C-N 3.26Å; P480-F482 PolarHBondContact O-N 3.39Å; F482-V484 PolarHBondContact O-N 3.4Å; F482-V484 VanDerWaalsContact O-N 3.09Å; F482-Y485 HydrophobicContact CB-CD2 4.31Å; F482-Y485 HydrophobicContact CD1-CE2 4.19Å; F482-Y485 WeakPolarHBondContact O-CD2 3.49Å; F482-Y485 PolarHBondContact O-N 3.33Å; F482-H518 HydrophobicContact CE1-CB 3.79Å; F482-H518 AromaticContact CE1-CD2 3.59Å; F482-H518 AromaticContact CE1-CG 3.46Å; F482-H518 VanDerWaalsContact CE1-CG 3.46Å; F482-H518 AromaticContact CE1-ND1 3.78Å; F482-H518 AromaticContact CE1-NE2 3.97Å; F482-H518 HydrophobicContact CZ-CB 3.87Å; F482-K521 HydrophobicContact CE2-CB 4.13Å; F482-K521 HydrophobicContact CZ-CB 4Å; F482-K521 HydrophobicContact CZ-CD 4.2Å; F482-L522 HydrophobicContact CE2-CB 4.38Å
483	S	93	Very high	90.8	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.014	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-56.5	-22.6	170	-179.4	0	0	0	0	112.4	D472 Q481 Y485 T486	D472-S483 VanDerWaalsContact OD1-CB 3.31Å; D472-S483 WeakPolarHBondContact OD1-CB 3.39Å; D472-S483 PolarHBondContact OD1-OG 3.08Å; Q481-S483 VanDerWaalsContact C-N 3.3Å; S483-Y485 PolarHBondContact O-N 3.33Å; S483-T486 WeakPolarHBondContact CA-OG1 3.16Å; S483-T486 WeakPolarHBondContact O-CB 3.23Å; S483-T486 PolarHBondContact O-N 2.87Å; S483-T486 VanDerWaalsContact O-N 3.08Å; S483-T486 PolarHBondContact O-OG1 3.11Å; S483-T486 VanDerWaalsContact O-OG1 3.06Å
484	V	94.7	Very high	91	Very high	21 Å²	21	39.4 Å²	39.4	13%	0.127	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-56.1	-24.6	172.9	77.4	0	0	0	0	113.9	E455 K458 M459 Q481 F482	E455-V484 HydrophobicContact CB-CG2 4.18Å; E455-V484 HydrophobicContact CG-CG2 4.01Å; K458-V484 HydrophobicContact CB-CG2 4.08Å; K458-V484 HydrophobicContact CD-CG2 4Å; M459-V484 HydrophobicContact CG-CB 4Å; Q481-V484 WeakPolarHBondContact O-CG1 3.47Å; F482-V484 PolarHBondContact O-N 3.4Å; F482-V484 VanDerWaalsContact O-N 3.09Å
485	Y	94.9	Very high	91	Very high	31 Å²	31	40.9 Å²	40.9	12%	0.122	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-93.8	-11.1	-178.1	-58	-58.3	0	0	0	113.6	F482 S483 Y487 Q488 L489 I513 H518	F482-Y485 HydrophobicContact CB-CD2 4.31Å; F482-Y485 HydrophobicContact CD1-CE2 4.19Å; F482-Y485 WeakPolarHBondContact O-CD2 3.49Å; F482-Y485 PolarHBondContact O-N 3.33Å; S483-Y485 PolarHBondContact O-N 3.33Å; Y485-Y487 PolarHBondContact O-N 3.26Å; Y485-Q488 PolarHBondContact O-N 3.44Å; Y485-L489 WeakPolarHBondContact O-CG 3.09Å; Y485-L489 PolarHBondContact O-N 2.66Å; Y485-I513 HydrophobicContact CD1-CG1 3.93Å; Y485-I513 HydrophobicContact CD2-CD1 4.37Å; Y485-I513 HydrophobicContact CE1-CB 4.44Å; Y485-I513 HydrophobicContact CE1-CG1 4.18Å; Y485-I513 HydrophobicContact CE1-CG2 4.2Å; Y485-I513 HydrophobicContact CE2-CG2 4.1Å; Y485-I513 HydrophobicContact CG-CD1 4.23Å; Y485-I513 HydrophobicContact CG-CG1 4.13Å; Y485-H518 HydrophobicContact CE2-CB 4.39Å; Y485-H518 AromaticContact CE2-ND1 3.5Å; Y485-H518 WeakPolarHBondContact CE2-ND1 3.45Å; Y485-H518 AromaticContact CZ-ND1 3.55Å; Y485-H518 PolarHBondContact OH-ND1 3.31Å
486	T	95	Very high	90.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-56.3	-57.6	-168.7	-61.6	0	0	0	0	112.1	Y463 D472 L475 S483 Q488 L489 L490	Y463-T486 HydrophobicContact CD1-CG2 4.44Å; Y463-T486 HydrophobicContact CD2-CG2 3.54Å; Y463-T486 HydrophobicContact CE2-CG2 3.96Å; Y463-T486 HydrophobicContact CG-CG2 3.79Å; D472-T486 HydrophobicContact CB-CG2 3.57Å; D472-T486 WeakPolarHBondContact OD1-CB 3.18Å; D472-T486 PolarHBondContact OD1-OG1 3.43Å; L475-T486 WeakPolarHBondContact CD1-OG1 3.48Å; S483-T486 WeakPolarHBondContact CA-OG1 3.16Å; S483-T486 WeakPolarHBondContact O-CB 3.23Å; S483-T486 PolarHBondContact O-N 2.87Å; S483-T486 VanDerWaalsContact O-N 3.08Å; S483-T486 PolarHBondContact O-OG1 3.11Å; S483-T486 VanDerWaalsContact O-OG1 3.06Å; T486-Q488 VanDerWaalsContact C-N 3.33Å; T486-Q488 PolarHBondContact O-N 3.31Å; T486-L489 PolarHBondContact O-N 3.36Å; T486-L489 VanDerWaalsContact O-N 3.14Å; T486-L490 HydrophobicContact CG2-CD1 3.84Å; T486-L490 HydrophobicContact CG2-CG 4.45Å; T486-L490 WeakPolarHBondContact O-CG 3.41Å; T486-L490 PolarHBondContact O-N 3.12Å
487	Y	95.3	Very high	90.6	Very high	19 Å²	19	44.8 Å²	44.8	8%	0.075	26%	0.257	C	S	.	.	H	α-helix	trans	-62.2	-41.6	-174.5	-161.1	-108.9	0	0	0	112.6	P394 D425 L428 L429 Y463 V466 Y485 L489 L490 E491	P394-Y487 HydrophobicContact CB-CE2 3.66Å; P394-Y487 HydrophobicContact CG-CD2 3.87Å; P394-Y487 HydrophobicContact CG-CE2 3.42Å; P394-Y487 VanDerWaalsContact CG-CE2 3.42Å; D425-Y487 WeakPolarHBondContact OD1-CE1 3.26Å; D425-Y487 VanDerWaalsContact OD1-CZ 3.29Å; D425-Y487 PolarHBondContact OD1-OH 3.43Å; L428-Y487 HydrophobicContact CB-CD1 3.4Å; L428-Y487 VanDerWaalsContact CB-CD1 3.4Å; L428-Y487 HydrophobicContact CB-CE1 3.8Å; L428-Y487 HydrophobicContact CB-CG 4.01Å; L428-Y487 HydrophobicContact CD1-CD1 3.76Å; L428-Y487 HydrophobicContact CD1-CD2 3.83Å; L428-Y487 HydrophobicContact CD1-CE1 3.91Å; L428-Y487 HydrophobicContact CD1-CE2 3.99Å; L428-Y487 HydrophobicContact CD1-CG 3.71Å; L428-Y487 HydrophobicContact CG-CD1 4.23Å; L428-Y487 HydrophobicContact CG-CG 4.44Å; L429-Y487 HydrophobicContact CD1-CE1 4.39Å; L429-Y487 HydrophobicContact CD2-CD1 4.01Å; L429-Y487 HydrophobicContact CD2-CE1 4.4Å; L429-Y487 HydrophobicContact CG-CD1 4.16Å; L429-Y487 HydrophobicContact CG-CE1 4.14Å; Y463-Y487 AromaticContact CD1-CD2 3.81Å; Y463-Y487 HydrophobicContact CD1-CD2 3.81Å; Y463-Y487 AromaticContact CE1-CD2 3.71Å; Y463-Y487 HydrophobicContact CE1-CD2 3.71Å; Y463-Y487 HydrophobicContact CE1-CG 4.03Å; V466-Y487 HydrophobicContact CG2-CD2 4.47Å; V466-Y487 HydrophobicContact CG2-CE2 4.33Å; Y485-Y487 PolarHBondContact O-N 3.26Å; Y487-L489 VanDerWaalsContact C-N 3.31Å; Y487-L489 PolarHBondContact O-N 2.92Å; Y487-L490 PolarHBondContact O-N 2.93Å; Y487-E491 WeakPolarHBondContact O-CB 3.41Å; Y487-E491 PolarHBondContact O-N 3.21Å
488	Q	94.2	Very high	90.8	Very high	61 Å²	61	42.7 Å²	42.7	29%	0.285	24%	0.241	S	C	.	.	H	α-helix	trans	-62.4	-38.7	177.4	-178.9	174.2	9.2	0	0	112.1	Y485 T486 L492 C511	Y485-Q488 PolarHBondContact O-N 3.44Å; T486-Q488 VanDerWaalsContact C-N 3.33Å; T486-Q488 PolarHBondContact O-N 3.31Å; Q488-L492 HydrophobicContact CG-CD1 4.3Å; Q488-L492 WeakPolarHBondContact O-CD1 3.37Å; Q488-L492 VanDerWaalsContact O-CG 3.25Å; Q488-L492 WeakPolarHBondContact O-CG 3.5Å; Q488-L492 PolarHBondContact O-N 3.25Å; Q488-C511 PolarHBondContact NE2-O 3.38Å
489	L	94.2	Very high	90.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-68.2	-44.8	177.2	-73	170.6	0	0	0	111.5	L471 L475 Y485 T486 Y487 E491 L492 G493 V494 C511	L471-L489 HydrophobicContact CD2-CB 3.79Å; L471-L489 HydrophobicContact CD2-CD1 4.23Å; L475-L489 HydrophobicContact CD1-CD1 3.92Å; L475-L489 HydrophobicContact CD2-CD1 4.49Å; Y485-L489 WeakPolarHBondContact O-CG 3.09Å; Y485-L489 PolarHBondContact O-N 2.66Å; T486-L489 PolarHBondContact O-N 3.36Å; T486-L489 VanDerWaalsContact O-N 3.14Å; Y487-L489 VanDerWaalsContact C-N 3.31Å; Y487-L489 PolarHBondContact O-N 2.92Å; L489-E491 VanDerWaalsContact C-N 3.33Å; L489-E491 PolarHBondContact O-N 3.1Å; L489-L492 PolarHBondContact O-N 3.41Å; L489-G493 PolarHBondContact O-N 3.43Å; L489-V494 CarbonylContact C-O 3.51Å; L489-V494 HydrophobicContact CB-CB 4.17Å; L489-V494 HydrophobicContact CD2-CB 4.16Å; L489-V494 HydrophobicContact CD2-CG1 4.18Å; L489-V494 HydrophobicContact CD2-CG2 4.38Å; L489-V494 WeakPolarHBondContact O-CA 3.24Å; L489-V494 WeakPolarHBondContact O-CB 3.49Å; L489-V494 PolarHBondContact O-N 2.67Å; L489-C511 HydrophobicContact CD2-CB 3.68Å
490	L	94.1	Very high	90.4	Very high	33 Å²	33	44.5 Å²	44.5	17%	0.173	26%	0.255	C	S	.	.	H	α-helix	trans	-61.4	-42.4	177.9	-66.9	171.9	0	0	0	111.6	V466 D467 L471 T486 Y487 L492 G493	V466-L490 HydrophobicContact CG2-CD1 4.02Å; D467-L490 HydrophobicContact CB-CD1 3.74Å; D467-L490 HydrophobicContact CB-CD2 4.32Å; L471-L490 HydrophobicContact CB-CD2 4.42Å; L471-L490 HydrophobicContact CD2-CD2 3.99Å; L471-L490 HydrophobicContact CD2-CG 4.26Å; T486-L490 HydrophobicContact CG2-CD1 3.84Å; T486-L490 HydrophobicContact CG2-CG 4.45Å; T486-L490 WeakPolarHBondContact O-CG 3.41Å; T486-L490 PolarHBondContact O-N 3.12Å; Y487-L490 PolarHBondContact O-N 2.93Å; L490-L492 PolarHBondContact O-N 3.19Å; L490-G493 WeakPolarHBondContact O-CA 3.24Å; L490-G493 PolarHBondContact O-N 2.87Å
491	E	92.7	Very high	90.3	Very high	113 Å²	113	44 Å²	44	53%	0.528	25%	0.253	S	S	.	.	H	α-helix	trans	-64.1	-29.9	177.8	-169	60.7	-163.2	0	0	112.6	L429 Y487 L489 G493	L429-E491 HydrophobicContact CD1-CG 4.02Å; L429-E491 HydrophobicContact CD2-CB 4.48Å; L429-E491 HydrophobicContact CD2-CG 4.49Å; Y487-E491 WeakPolarHBondContact O-CB 3.41Å; Y487-E491 PolarHBondContact O-N 3.21Å; L489-E491 VanDerWaalsContact C-N 3.33Å; L489-E491 PolarHBondContact O-N 3.1Å; E491-G493 PolarHBondContact O-N 3.03Å
492	L	92.6	Very high	90	Very high	90 Å²	90	41.5 Å²	41.5	47%	0.471	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	2.5	172.5	-67.3	170.7	0	0	0	113.4	Q488 L489 L490 V494 E510 C511	Q488-L492 HydrophobicContact CG-CD1 4.3Å; Q488-L492 WeakPolarHBondContact O-CD1 3.37Å; Q488-L492 VanDerWaalsContact O-CG 3.25Å; Q488-L492 WeakPolarHBondContact O-CG 3.5Å; Q488-L492 PolarHBondContact O-N 3.25Å; L489-L492 PolarHBondContact O-N 3.41Å; L490-L492 PolarHBondContact O-N 3.19Å; L492-V494 VanDerWaalsContact C-N 3.26Å; L492-V494 HydrophobicContact CB-CG2 4.28Å; L492-V494 PolarHBondContact O-N 3.23Å; L492-E510 VanDerWaalsContact CD1-O 3.27Å; L492-E510 WeakPolarHBondContact CD1-O 3.27Å; L492-C511 HydrophobicContact CD1-CB 4.48Å
493	G	91.2	Very high	89.8	Confident	56 Å²	56	44 Å²	44	58%	0.577	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	17.9	-175	0	0	0	0	0	113.7	L489 L490 E491	L489-G493 PolarHBondContact O-N 3.43Å; L490-G493 WeakPolarHBondContact O-CA 3.24Å; L490-G493 PolarHBondContact O-N 2.87Å; E491-G493 PolarHBondContact O-N 3.03Å
494	V	90.9	Very high	89.7	Confident	10 Å²	10	46.6 Å²	46.6	6%	0.061	27%	0.273	C	S	.	.			trans	-86.2	115.9	173.9	-177	0	0	0	0	108.6	L471 L489 L492 T498 L499	L471-V494 WeakPolarHBondContact CD2-O 3.49Å; L489-V494 CarbonylContact C-O 3.51Å; L489-V494 HydrophobicContact CB-CB 4.17Å; L489-V494 HydrophobicContact CD2-CB 4.16Å; L489-V494 HydrophobicContact CD2-CG1 4.18Å; L489-V494 HydrophobicContact CD2-CG2 4.38Å; L489-V494 WeakPolarHBondContact O-CA 3.24Å; L489-V494 WeakPolarHBondContact O-CB 3.49Å; L489-V494 PolarHBondContact O-N 2.67Å; L492-V494 VanDerWaalsContact C-N 3.26Å; L492-V494 HydrophobicContact CB-CG2 4.28Å; L492-V494 PolarHBondContact O-N 3.23Å; V494-T498 WeakPolarHBondContact CA-OG1 3.49Å; V494-L499 HydrophobicContact CG1-CB 4.19Å; V494-L499 HydrophobicContact CG1-CD1 3.94Å
495	D	87.9	Confident	89.6	Confident	46 Å²	46	50.9 Å²	50.9	25%	0.246	29%	0.292	C	S	.	.			trans	-113.5	-179.8	177.3	74.9	19	0	0	0	109.8	T469 S497 T498 L499	T469-D495 HydrophobicContact CG2-CB 3.74Å; D495-S497 PolarHBondContact O-N 2.89Å; D495-S497 VanDerWaalsContact OD1-CA 3.32Å; D495-S497 WeakPolarHBondContact OD1-CA 3.39Å; D495-S497 WeakPolarHBondContact OD1-CB 3.48Å; D495-S497 PolarHBondContact OD1-N 2.76Å; D495-S497 PolarHBondContact OD1-OG 3.09Å; D495-S497 PolarHBondContact OD2-OG 3.44Å; D495-T498 PolarHBondContact N-OG1 3.17Å; D495-T498 PolarHBondContact O-N 3.44Å; D495-T498 PolarHBondContact O-OG1 3.02Å; D495-T498 PolarHBondContact OD1-N 3.01Å; D495-T498 PolarHBondContact OD1-OG1 3.49Å; D495-L499 VanDerWaalsContact O-CB 3.29Å; D495-L499 WeakPolarHBondContact O-CB 3.48Å; D495-L499 PolarHBondContact O-N 3.25Å
496	R	84.6	Confident	89.4	Confident	62 Å²	62	52.5 Å²	52.5	23%	0.234	30%	0.302	C	S	.	.	H	α-helix	trans	-57.4	-34.1	-179.9	-177.6	60.2	-176.8	144.2	-3.4	113.3	T469 F474	T469-R496 WeakPolarHBondContact O-CB 3.4Å; T469-R496 WeakPolarHBondContact OG1-CB 3.22Å; T469-R496 PolarHBondContact OG1-N 2.92Å; F474-R496 VanDerWaalsContact CE2-CZ 3.42Å
497	S	81.9	Confident	89.3	Confident	76 Å²	76	52.5 Å²	52.5	53%	0.531	30%	0.302	S	S	.	.	H	α-helix	trans	-76.9	-44.8	-177.1	77.3	0	0	0	0	111.5	D495 S500	D495-S497 PolarHBondContact O-N 2.89Å; D495-S497 VanDerWaalsContact OD1-CA 3.32Å; D495-S497 WeakPolarHBondContact OD1-CA 3.39Å; D495-S497 WeakPolarHBondContact OD1-CB 3.48Å; D495-S497 PolarHBondContact OD1-N 2.76Å; D495-S497 PolarHBondContact OD1-OG 3.09Å; D495-S497 PolarHBondContact OD2-OG 3.44Å; S497-S500 PolarHBondContact O-N 2.73Å; S497-S500 PolarHBondContact O-OG 3.16Å
498	T	86.5	Confident	89.3	Confident	46 Å²	46	56.9 Å²	56.9	28%	0.282	32%	0.322	S	S	.	.	H	α-helix	trans	-74.4	-28.7	-178.6	60.5	0	0	0	0	112	V494 D495 S500 S501 M502	V494-T498 WeakPolarHBondContact CA-OG1 3.49Å; D495-T498 PolarHBondContact N-OG1 3.17Å; D495-T498 PolarHBondContact O-N 3.44Å; D495-T498 PolarHBondContact O-OG1 3.02Å; D495-T498 PolarHBondContact OD1-N 3.01Å; D495-T498 PolarHBondContact OD1-OG1 3.49Å; T498-S500 PolarHBondContact O-N 2.84Å; T498-S500 VanDerWaalsContact O-N 3.12Å; T498-S501 PolarHBondContact O-N 3.46Å; T498-S501 PolarHBondContact O-OG 2.81Å; T498-M502 WeakPolarHBondContact O-CE 3.36Å
499	L	85.2	Confident	89.1	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-54.4	-34	176.1	-170.8	71.5	0	0	0	112.6	L471 F474 V494 D495 S501 M502 L507 L522 I526	L471-L499 HydrophobicContact CD1-CD2 3.78Å; F474-L499 HydrophobicContact CD1-CD2 3.81Å; F474-L499 HydrophobicContact CE1-CD2 3.53Å; V494-L499 HydrophobicContact CG1-CB 4.19Å; V494-L499 HydrophobicContact CG1-CD1 3.94Å; D495-L499 VanDerWaalsContact O-CB 3.29Å; D495-L499 WeakPolarHBondContact O-CB 3.48Å; D495-L499 PolarHBondContact O-N 3.25Å; L499-S501 PolarHBondContact O-N 2.75Å; L499-S501 VanDerWaalsContact O-N 3.17Å; L499-M502 HydrophobicContact CD1-CG 4.37Å; L499-M502 WeakPolarHBondContact O-CB 3.48Å; L499-M502 PolarHBondContact O-N 2.85Å; L499-M502 VanDerWaalsContact O-N 3.16Å; L499-L507 HydrophobicContact CD1-CD2 4.33Å; L499-L522 HydrophobicContact CD1-CD2 4.36Å; L499-L522 HydrophobicContact CD2-CD1 4.31Å; L499-I526 HydrophobicContact CD2-CD1 4.3Å; L499-I526 HydrophobicContact CG-CD1 3.93Å
500	S	80	Confident	88.8	Confident	83 Å²	83	63.8 Å²	63.8	58%	0.58	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-22.4	179.5	69	0	0	0	0	114.4	S497 T498	S497-S500 PolarHBondContact O-N 2.73Å; S497-S500 PolarHBondContact O-OG 3.16Å; T498-S500 PolarHBondContact O-N 2.84Å; T498-S500 VanDerWaalsContact O-N 3.12Å
501	S	82.2	Confident	88.7	Confident	86 Å²	86	62.3 Å²	62.3	60%	0.601	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	-1.6	-179	68.9	0	0	0	0	113.9	T498 L499	T498-S501 PolarHBondContact O-N 3.46Å; T498-S501 PolarHBondContact O-OG 2.81Å; L499-S501 PolarHBondContact O-N 2.75Å; L499-S501 VanDerWaalsContact O-N 3.17Å
502	M	85.1	Confident	88.5	Confident	35 Å²	35	58.5 Å²	58.5	17%	0.172	35%	0.347	C	S	.	.			trans	-76.3	135.6	-173.4	-65.4	-65.8	129.9	0	0	112.2	T498 L499 I506 L507 L523	T498-M502 WeakPolarHBondContact O-CE 3.36Å; L499-M502 HydrophobicContact CD1-CG 4.37Å; L499-M502 WeakPolarHBondContact O-CB 3.48Å; L499-M502 PolarHBondContact O-N 2.85Å; L499-M502 VanDerWaalsContact O-N 3.16Å; M502-I506 HydrophobicContact SD-CB 4.43Å; M502-I506 HydrophobicContact SD-CG2 3.63Å; M502-L507 HydrophobicContact CB-CD2 4.03Å; M502-L507 HydrophobicContact CB-CG 4.16Å; M502-L523 WeakPolarHBondContact O-CD2 3.33Å
503	S	88.9	Confident	88.5	Confident	53 Å²	53	54.3 Å²	54.3	37%	0.371	32%	0.324	S	S	.	.			trans	-91	160.3	174	74.4	0	0	0	0	111.8	E505 I506 L507	S503-E505 PolarHBondContact O-N 2.83Å; S503-I506 PolarHBondContact O-N 2.79Å; S503-I506 WeakPolarHBondContact OG-CG1 3.5Å; S503-I506 PolarHBondContact OG-N 3.31Å; S503-L507 WeakPolarHBondContact O-CG 3.41Å; S503-L507 PolarHBondContact O-N 3.27Å
504	N	92.1	Very high	88.5	Confident	57 Å²	57	56.2 Å²	56.2	31%	0.305	33%	0.329	S	S	.	.	H	α-helix	trans	-54.1	-35.9	174.3	174.4	69.4	0	0	0	113	K508 R519 L523	N504-K508 WeakPolarHBondContact O-CB 3.49Å; N504-K508 PolarHBondContact O-N 2.99Å; N504-R519 PolarHBondContact OD1-NE 3.34Å; N504-L523 HydrophobicContact CB-CD1 3.72Å
505	E	91.9	Very high	88.6	Confident	111 Å²	111	58.4 Å²	58.4	52%	0.519	34%	0.34	S	S	.	.	H	α-helix	trans	-71	-43.5	-179.9	-63.2	-49	129.7	0	0	111.6	S503 L507 K508 S509	S503-E505 PolarHBondContact O-N 2.83Å; E505-L507 PolarHBondContact O-N 3.35Å; E505-K508 WeakPolarHBondContact O-CB 3.38Å; E505-K508 PolarHBondContact O-N 2.94Å; E505-K508 VanDerWaalsContact O-N 3.08Å; E505-S509 PolarHBondContact O-N 3.21Å; E505-S509 PolarHBondContact O-OG 3.07Å
506	I	91.9	Very high	88.9	Confident	66 Å²	66	60 Å²	60	34%	0.338	35%	0.353	S	S	.	.	H	α-helix	trans	-63.7	-42.9	177.4	-63.5	167.3	0	0	0	110.6	M502 S503 K508 E510 C511	M502-I506 HydrophobicContact SD-CB 4.43Å; M502-I506 HydrophobicContact SD-CG2 3.63Å; S503-I506 PolarHBondContact O-N 2.79Å; S503-I506 WeakPolarHBondContact OG-CG1 3.5Å; S503-I506 PolarHBondContact OG-N 3.31Å; I506-K508 PolarHBondContact O-N 3.14Å; I506-E510 HydrophobicContact CG2-CB 4.16Å; I506-E510 HydrophobicContact CG2-CG 4.15Å; I506-E510 PolarHBondContact O-N 2.76Å; I506-C511 PolarHBondContact O-N 2.91Å; I506-C511 VanDerWaalsContact O-N 3.07Å
507	L	92.5	Very high	89.4	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-59.5	-29.6	175.8	-70.4	176.8	0	0	0	112.4	L499 M502 S503 E505 C511 I513 R519 L522 L523	L499-L507 HydrophobicContact CD1-CD2 4.33Å; M502-L507 HydrophobicContact CB-CD2 4.03Å; M502-L507 HydrophobicContact CB-CG 4.16Å; S503-L507 WeakPolarHBondContact O-CG 3.41Å; S503-L507 PolarHBondContact O-N 3.27Å; E505-L507 PolarHBondContact O-N 3.35Å; L507-C511 HydrophobicContact CD2-CB 4.49Å; L507-C511 WeakPolarHBondContact O-CB 3.49Å; L507-I513 HydrophobicContact CD2-CD1 4.2Å; L507-I513 WeakPolarHBondContact O-CB 3.35Å; L507-I513 PolarHBondContact O-N 2.97Å; L507-R519 HydrophobicContact CB-CG 4.09Å; L507-L522 HydrophobicContact CD1-CD2 4.2Å; L507-L522 HydrophobicContact CD2-CD2 4.16Å; L507-L523 HydrophobicContact CD1-CD1 4.3Å; L507-L523 HydrophobicContact CD1-CD2 3.8Å; L507-L523 HydrophobicContact CD1-CG 3.85Å
508	K	94.5	Very high	89.9	Confident	111 Å²	111	58.3 Å²	58.3	48%	0.483	35%	0.345	S	S	.	.	H	α-helix	trans	-85.6	-51.4	179.6	-177.1	-173.2	170.4	-165.6	0	112.5	N504 E505 I506	N504-K508 WeakPolarHBondContact O-CB 3.49Å; N504-K508 PolarHBondContact O-N 2.99Å; E505-K508 WeakPolarHBondContact O-CB 3.38Å; E505-K508 PolarHBondContact O-N 2.94Å; E505-K508 VanDerWaalsContact O-N 3.08Å; I506-K508 PolarHBondContact O-N 3.14Å
509	S	90	Very high	90.3	Very high	79 Å²	79	57 Å²	57	55%	0.552	34%	0.335	S	S	*	.	H	α-helix	trans	-81.6	-46.2	-170.7	67.1	0	0	0	0	112.3	E505	E505-S509 PolarHBondContact O-N 3.21Å; E505-S509 PolarHBondContact O-OG 3.07Å
510	E	89.1	Confident	90.7	Very high	126 Å²	126	62.4 Å²	62.4	59%	0.589	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-45.4	-173.7	-50.8	-49.1	125	0	0	111.2	L492 I506 G512	L492-E510 VanDerWaalsContact CD1-O 3.27Å; L492-E510 WeakPolarHBondContact CD1-O 3.27Å; I506-E510 HydrophobicContact CG2-CB 4.16Å; I506-E510 HydrophobicContact CG2-CG 4.15Å; I506-E510 PolarHBondContact O-N 2.76Å; E510-G512 VanDerWaalsContact C-N 3.32Å; E510-G512 PolarHBondContact O-N 3.4Å
511	C	90.4	Very high	91.2	Very high	2 Å²	2	62.9 Å²	62.9	1%	0.014	35%	0.354	C	S	.	.	S	Bend	trans	-82.8	-4.2	-175.5	-54.3	0	0	0	0	114.3	Q488 L489 L492 I506 L507 I513	Q488-C511 PolarHBondContact NE2-O 3.38Å; L489-C511 HydrophobicContact CD2-CB 3.68Å; L492-C511 HydrophobicContact CD1-CB 4.48Å; I506-C511 PolarHBondContact O-N 2.91Å; I506-C511 VanDerWaalsContact O-N 3.07Å; L507-C511 HydrophobicContact CD2-CB 4.49Å; L507-C511 WeakPolarHBondContact O-CB 3.49Å; C511-I513 HydrophobicContact CB-CG1 4.24Å; C511-I513 PolarHBondContact O-N 3.05Å; C511-I513 VanDerWaalsContact O-N 3.16Å
512	G	89.3	Confident	91.5	Very high	34 Å²	34	58.9 Å²	58.9	35%	0.351	33%	0.327	S	S	.	.			trans	68.9	9.5	177.9	0	0	0	0	0	116.1	E510 S514	E510-G512 VanDerWaalsContact C-N 3.32Å; E510-G512 PolarHBondContact O-N 3.4Å; G512-S514 VanDerWaalsContact C-N 3.28Å; G512-S514 PolarHBondContact O-N 3.38Å
513	I	92.7	Very high	91.7	Very high	1 Å²	1	59 Å²	59	1%	0.005	33%	0.328	C	S	.	.			trans	-78.1	79.1	178.9	-49.4	-176.8	0	0	0	109	Y485 L507 C511 N515 H518 R519 L522	Y485-I513 HydrophobicContact CD1-CG1 3.93Å; Y485-I513 HydrophobicContact CD2-CD1 4.37Å; Y485-I513 HydrophobicContact CE1-CB 4.44Å; Y485-I513 HydrophobicContact CE1-CG1 4.18Å; Y485-I513 HydrophobicContact CE1-CG2 4.2Å; Y485-I513 HydrophobicContact CE2-CG2 4.1Å; Y485-I513 HydrophobicContact CG-CD1 4.23Å; Y485-I513 HydrophobicContact CG-CG1 4.13Å; L507-I513 HydrophobicContact CD2-CD1 4.2Å; L507-I513 WeakPolarHBondContact O-CB 3.35Å; L507-I513 PolarHBondContact O-N 2.97Å; C511-I513 HydrophobicContact CB-CG1 4.24Å; C511-I513 PolarHBondContact O-N 3.05Å; C511-I513 VanDerWaalsContact O-N 3.16Å; I513-N515 VanDerWaalsContact C-N 3.33Å; I513-N515 PolarHBondContact O-N 2.76Å; I513-H518 HydrophobicContact CG2-CB 3.91Å; I513-R519 HydrophobicContact CB-CG 3.99Å; I513-R519 HydrophobicContact CG2-CG 3.69Å; I513-R519 VanDerWaalsContact O-CD 3.27Å; I513-R519 WeakPolarHBondContact O-CD 3.33Å; I513-R519 WeakPolarHBondContact O-CG 3.35Å; I513-R519 PolarHBondContact O-NH1 2.93Å; I513-L522 HydrophobicContact CD1-CD2 4.05Å
514	S	91.6	Very high	91.6	Very high	96 Å²	96	61.4 Å²	61.4	67%	0.671	33%	0.333	S	S	*	.			trans	-68	-28	-173.9	62.8	0	0	0	0	114.1	G512 P516 R519	G512-S514 VanDerWaalsContact C-N 3.28Å; G512-S514 PolarHBondContact O-N 3.38Å; S514-P516 WeakPolarHBondContact O-CD 3.44Å; S514-R519 PolarHBondContact O-NH1 3.4Å
515	N	93	Very high	91.2	Very high	56 Å²	56	59.8 Å²	59.8	30%	0.299	33%	0.326	S	S	.	.			trans	-72.8	115.3	-178.3	-173.2	-27	0	0	0	111.7	I513 V517 H518 R519	I513-N515 VanDerWaalsContact C-N 3.33Å; I513-N515 PolarHBondContact O-N 2.76Å; N515-V517 VanDerWaalsContact C-N 3.28Å; N515-V517 PolarHBondContact O-N 3Å; N515-V517 WeakPolarHBondContact OD1-CB 3.31Å; N515-V517 PolarHBondContact OD1-N 3.5Å; N515-H518 HydrophobicContact CB-CB 4.08Å; N515-H518 PolarHBondContact ND2-CD2 3.35Å; N515-H518 PolarHBondContact ND2-NE2 3.09Å; N515-H518 PolarHBondContact O-N 2.96Å; N515-H518 VanDerWaalsContact O-N 3.15Å; N515-R519 PolarHBondContact O-N 3.22Å
516	P	93.8	Very high	90.7	Very high	80 Å²	80	55.9 Å²	55.9	52%	0.519	31%	0.308	S	S	.	.	H	α-helix	trans	-63.4	-30.7	-178.1	26.1	-34.2	0	0	0	113.6	S514 H518 L520	S514-P516 WeakPolarHBondContact O-CD 3.44Å; P516-H518 VanDerWaalsContact C-N 3.33Å; P516-L520 WeakPolarHBondContact O-CB 3.34Å; P516-L520 PolarHBondContact O-N 2.94Å
517	V	94	Very high	90	Very high	79 Å²	79	59.6 Å²	59.6	48%	0.479	32%	0.324	S	S	.	.	H	α-helix	trans	-70	-35	178.1	-178.6	0	0	0	0	110.8	N515 K521	N515-V517 VanDerWaalsContact C-N 3.28Å; N515-V517 PolarHBondContact O-N 3Å; N515-V517 WeakPolarHBondContact OD1-CB 3.31Å; N515-V517 PolarHBondContact OD1-N 3.5Å; V517-K521 WeakPolarHBondContact O-CG 3.45Å; V517-K521 PolarHBondContact O-N 2.95Å; V517-K521 VanDerWaalsContact O-N 3.12Å
518	H	94.2	Very high	88.9	Confident	24 Å²	24	64 Å²	64	11%	0.111	35%	0.348	C	S	.	.	H	α-helix	trans	-67.6	-48.2	177.8	-67.5	-169.7	0	0	0	110.7	Q481 F482 Y485 I513 N515 P516 L520 K521 L522	Q481-H518 PolarHBondContact NE2-NE2 3.28Å; F482-H518 HydrophobicContact CE1-CB 3.79Å; F482-H518 AromaticContact CE1-CD2 3.59Å; F482-H518 AromaticContact CE1-CG 3.46Å; F482-H518 VanDerWaalsContact CE1-CG 3.46Å; F482-H518 AromaticContact CE1-ND1 3.78Å; F482-H518 AromaticContact CE1-NE2 3.97Å; F482-H518 HydrophobicContact CZ-CB 3.87Å; Y485-H518 HydrophobicContact CE2-CB 4.39Å; Y485-H518 AromaticContact CE2-ND1 3.5Å; Y485-H518 WeakPolarHBondContact CE2-ND1 3.45Å; Y485-H518 AromaticContact CZ-ND1 3.55Å; Y485-H518 PolarHBondContact OH-ND1 3.31Å; I513-H518 HydrophobicContact CG2-CB 3.91Å; N515-H518 HydrophobicContact CB-CB 4.08Å; N515-H518 PolarHBondContact ND2-CD2 3.35Å; N515-H518 PolarHBondContact ND2-NE2 3.09Å; N515-H518 PolarHBondContact O-N 2.96Å; N515-H518 VanDerWaalsContact O-N 3.15Å; P516-H518 VanDerWaalsContact C-N 3.33Å; H518-L520 VanDerWaalsContact C-N 3.33Å; H518-L520 PolarHBondContact O-N 3.27Å; H518-K521 PolarHBondContact O-N 3.29Å; H518-L522 WeakPolarHBondContact O-CB 3.44Å; H518-L522 PolarHBondContact O-N 3Å
519	R	94.5	Very high	87.3	Confident	18 Å²	18	60 Å²	60	7%	0.068	33%	0.334	C	S	.	.	H	α-helix	trans	-57.7	-44.4	175.4	-63.8	-166.4	-56.1	-83	-0.8	112.1	N504 L507 I513 S514 N515 L522 L523	N504-R519 PolarHBondContact OD1-NE 3.34Å; L507-R519 HydrophobicContact CB-CG 4.09Å; I513-R519 HydrophobicContact CB-CG 3.99Å; I513-R519 HydrophobicContact CG2-CG 3.69Å; I513-R519 VanDerWaalsContact O-CD 3.27Å; I513-R519 WeakPolarHBondContact O-CD 3.33Å; I513-R519 WeakPolarHBondContact O-CG 3.35Å; I513-R519 PolarHBondContact O-NH1 2.93Å; S514-R519 PolarHBondContact O-NH1 3.4Å; N515-R519 PolarHBondContact O-N 3.22Å; R519-L522 PolarHBondContact O-N 3.04Å; R519-L523 WeakPolarHBondContact O-CB 3.3Å; R519-L523 VanDerWaalsContact O-CG 3.29Å; R519-L523 WeakPolarHBondContact O-CG 3.44Å; R519-L523 PolarHBondContact O-N 3.46Å
520	L	92.4	Very high	85.6	Confident	113 Å²	113	64.8 Å²	64.8	59%	0.592	34%	0.344	S	S	*	.	H	α-helix	trans	-58.3	-51.2	177.7	-176	76.6	0	0	0	112.1	P516 H518 L522 L523 Q524	P516-L520 WeakPolarHBondContact O-CB 3.34Å; P516-L520 PolarHBondContact O-N 2.94Å; H518-L520 VanDerWaalsContact C-N 3.33Å; H518-L520 PolarHBondContact O-N 3.27Å; L520-L522 VanDerWaalsContact C-N 3.3Å; L520-L522 PolarHBondContact O-N 3.24Å; L520-L523 PolarHBondContact O-N 3.2Å; L520-Q524 WeakPolarHBondContact O-CB 3.16Å; L520-Q524 PolarHBondContact O-N 2.97Å
521	K	90.8	Very high	84	Confident	93 Å²	93	65.5 Å²	65.5	40%	0.404	35%	0.348	S	S	.	.	H	α-helix	trans	-62	-39	179.4	-74.7	-177.8	175.2	-171.6	0	112.2	V478 F482 V517 H518 S525	V478-K521 HydrophobicContact CG1-CB 4.3Å; F482-K521 HydrophobicContact CE2-CB 4.13Å; F482-K521 HydrophobicContact CZ-CB 4Å; F482-K521 HydrophobicContact CZ-CD 4.2Å; V517-K521 WeakPolarHBondContact O-CG 3.45Å; V517-K521 PolarHBondContact O-N 2.95Å; V517-K521 VanDerWaalsContact O-N 3.12Å; H518-K521 PolarHBondContact O-N 3.29Å; K521-S525 WeakPolarHBondContact O-CB 3.33Å; K521-S525 PolarHBondContact O-N 3.35Å; K521-S525 PolarHBondContact O-OG 3.16Å
522	L	89.4	Confident	82.4	Confident	3 Å²	3	69 Å²	69	2%	0.016	37%	0.369	C	S	.	.	H	α-helix	trans	-66	-49	178.9	-172	63	0	0	0	111.1	F474 L475 F482 L499 L507 I513 H518 R519 L520 S525 I526	F474-L522 HydrophobicContact CE1-CD1 3.69Å; F474-L522 HydrophobicContact CZ-CD1 4.34Å; L475-L522 HydrophobicContact CD2-CD1 3.65Å; L475-L522 HydrophobicContact CD2-CD2 4.49Å; F482-L522 HydrophobicContact CE2-CB 4.38Å; L499-L522 HydrophobicContact CD1-CD2 4.36Å; L499-L522 HydrophobicContact CD2-CD1 4.31Å; L507-L522 HydrophobicContact CD1-CD2 4.2Å; L507-L522 HydrophobicContact CD2-CD2 4.16Å; I513-L522 HydrophobicContact CD1-CD2 4.05Å; H518-L522 WeakPolarHBondContact O-CB 3.44Å; H518-L522 PolarHBondContact O-N 3Å; R519-L522 PolarHBondContact O-N 3.04Å; L520-L522 VanDerWaalsContact C-N 3.3Å; L520-L522 PolarHBondContact O-N 3.24Å; L522-S525 PolarHBondContact O-N 2.91Å; L522-I526 HydrophobicContact CG-CD1 4.14Å; L522-I526 WeakPolarHBondContact O-CD1 3.3Å; L522-I526 VanDerWaalsContact O-CG1 3.28Å; L522-I526 WeakPolarHBondContact O-CG1 3.32Å; L522-I526 PolarHBondContact O-N 3.02Å
523	L	89.8	Confident	80.9	Confident	37 Å²	37	73.8 Å²	73.8	19%	0.194	38%	0.382	C	S	.	.	H	α-helix	trans	-61.7	-43.3	177.2	-71.3	168.8	0	0	0	112.2	M502 N504 L507 R519 L520 S525 I526 E527	M502-L523 WeakPolarHBondContact O-CD2 3.33Å; N504-L523 HydrophobicContact CB-CD1 3.72Å; L507-L523 HydrophobicContact CD1-CD1 4.3Å; L507-L523 HydrophobicContact CD1-CD2 3.8Å; L507-L523 HydrophobicContact CD1-CG 3.85Å; R519-L523 WeakPolarHBondContact O-CB 3.3Å; R519-L523 VanDerWaalsContact O-CG 3.29Å; R519-L523 WeakPolarHBondContact O-CG 3.44Å; R519-L523 PolarHBondContact O-N 3.46Å; L520-L523 PolarHBondContact O-N 3.2Å; L523-S525 VanDerWaalsContact C-N 3.31Å; L523-S525 PolarHBondContact O-N 3.19Å; L523-I526 WeakPolarHBondContact O-CB 3.5Å; L523-I526 PolarHBondContact O-N 3.15Å; L523-I526 VanDerWaalsContact O-N 3.16Å; L523-E527 PolarHBondContact O-N 3.14Å
524	Q	86.2	Confident	79.5	Confident	104 Å²	104	78.8 Å²	78.8	49%	0.486	41%	0.409	S	S	.	.	H	α-helix	trans	-60.4	-42.8	174.7	-175.6	176.5	0.5	0	0	111.4	L520 I526 E527 D528	L520-Q524 WeakPolarHBondContact O-CB 3.16Å; L520-Q524 PolarHBondContact O-N 2.97Å; Q524-I526 VanDerWaalsContact C-N 3.29Å; Q524-I526 PolarHBondContact O-N 3.15Å; Q524-E527 PolarHBondContact O-N 3.48Å; Q524-D528 WeakPolarHBondContact O-CB 3.46Å; Q524-D528 PolarHBondContact O-N 3.45Å
525	S	83	Confident	78.2	Confident	22 Å²	22	77.4 Å²	77.4	15%	0.154	39%	0.393	C	S	.	.	H	α-helix	trans	-65.9	-33.3	177.7	-55.4	0	0	0	0	111.9	V478 K521 L522 L523 C529	V478-S525 VanDerWaalsContact CG1-OG 3.28Å; V478-S525 WeakPolarHBondContact CG1-OG 3.3Å; V478-S525 WeakPolarHBondContact CG2-OG 3.43Å; K521-S525 WeakPolarHBondContact O-CB 3.33Å; K521-S525 PolarHBondContact O-N 3.35Å; K521-S525 PolarHBondContact O-OG 3.16Å; L522-S525 PolarHBondContact O-N 2.91Å; L523-S525 VanDerWaalsContact C-N 3.31Å; L523-S525 PolarHBondContact O-N 3.19Å; S525-C529 WeakPolarHBondContact O-CB 3.32Å; S525-C529 PolarHBondContact O-N 2.94Å; S525-C529 VanDerWaalsContact O-N 3.17Å; S525-C529 PolarHBondContact O-SG 2.99Å
526	I	82	Confident	77	Confident	29 Å²	29	77.7 Å²	77.7	15%	0.149	40%	0.395	C	S	.	.	H	α-helix	trans	-67.1	-43.3	173.1	-68.6	160	0	0	0	110.8	F474 L499 L522 L523 Q524 C529	F474-I526 HydrophobicContact CZ-CG1 4.4Å; L499-I526 HydrophobicContact CD2-CD1 4.3Å; L499-I526 HydrophobicContact CG-CD1 3.93Å; L522-I526 HydrophobicContact CG-CD1 4.14Å; L522-I526 WeakPolarHBondContact O-CD1 3.3Å; L522-I526 VanDerWaalsContact O-CG1 3.28Å; L522-I526 WeakPolarHBondContact O-CG1 3.32Å; L522-I526 PolarHBondContact O-N 3.02Å; L523-I526 WeakPolarHBondContact O-CB 3.5Å; L523-I526 PolarHBondContact O-N 3.15Å; L523-I526 VanDerWaalsContact O-N 3.16Å; Q524-I526 VanDerWaalsContact C-N 3.29Å; Q524-I526 PolarHBondContact O-N 3.15Å; I526-C529 PolarHBondContact O-N 3.23Å
527	E	77.8	Confident	76	Confident	145 Å²	145	75.3 Å²	75.3	68%	0.678	38%	0.378	S	S	*	.	H	α-helix	trans	-64.7	-43.2	177.9	-75.3	-178.4	177	0	0	112.9	L523 Q524 C529	L523-E527 PolarHBondContact O-N 3.14Å; Q524-E527 PolarHBondContact O-N 3.48Å; E527-C529 VanDerWaalsContact C-N 3.31Å; E527-C529 PolarHBondContact O-N 3.13Å
528	D	68.7	Low	75	Confident	93 Å²	93	73.8 Å²	73.8	50%	0.497	37%	0.373	S	S	.	.	H	α-helix	trans	-70.1	-27.5	179.5	-70.3	-22.5	0	0	0	112	Q524 K530	Q524-D528 WeakPolarHBondContact O-CB 3.46Å; Q524-D528 PolarHBondContact O-N 3.45Å; D528-K530 PolarHBondContact O-N 3.33Å
529	C	60.2	Low	74	Confident	27 Å²	27	76.5 Å²	76.5	18%	0.182	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	37.4	-175	-80	0	0	0	0	115.4	S525 I526 E527 H531	S525-C529 WeakPolarHBondContact O-CB 3.32Å; S525-C529 PolarHBondContact O-N 2.94Å; S525-C529 VanDerWaalsContact O-N 3.17Å; S525-C529 PolarHBondContact O-SG 2.99Å; I526-C529 PolarHBondContact O-N 3.23Å; E527-C529 VanDerWaalsContact C-N 3.31Å; E527-C529 PolarHBondContact O-N 3.13Å; C529-H531 VanDerWaalsContact C-N 3.26Å; C529-H531 PolarHBondContact O-N 2.81Å
530	K	54.7	Low	73.4	Confident	178 Å²	178	77.7 Å²	77.7	77%	0.774	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-23.7	170.1	-69.8	-174.4	-177.5	177.8	0	113	D528	D528-K530 PolarHBondContact O-N 3.33Å
531	H	55.6	Low	72.9	Confident	142 Å²	142	74.5 Å²	74.5	66%	0.657	38%	0.383	S	S	*	.	S	Bend	trans	-143.7	102.4	167.4	-65.9	-66.7	0	0	0	109.8	C529 E533 D534	C529-H531 VanDerWaalsContact C-N 3.26Å; C529-H531 PolarHBondContact O-N 2.81Å; H531-E533 PolarHBondContact O-N 3.4Å; H531-E533 VanDerWaalsContact O-N 3.16Å; H531-D534 PolarHBondContact O-N 2.66Å
532	V	56.1	Low	72.5	Confident	76 Å²	76	76.8 Å²	76.8	46%	0.461	39%	0.393	S	S	.	.	H	α-helix	trans	-58.5	-30.3	-172.4	179.4	0	0	0	0	113.1
533	E	58.8	Low	72.3	Confident	133 Å²	133	82.7 Å²	82.7	62%	0.621	42%	0.42	S	S	*	.	H	α-helix	trans	-71.3	-34.4	-173.9	-62.6	-175	162.7	0	0	113.8	H531 I537	H531-E533 PolarHBondContact O-N 3.4Å; H531-E533 VanDerWaalsContact O-N 3.16Å; E533-I537 WeakPolarHBondContact O-CG1 3.46Å; E533-I537 PolarHBondContact O-N 2.92Å
534	D	63.5	Low	72.3	Confident	107 Å²	107	81.3 Å²	81.3	57%	0.572	41%	0.413	S	S	*	.	H	α-helix	trans	-71.7	-31.9	-178.2	-71.3	-28.6	0	0	0	112.2	H531 I537 A538	H531-D534 PolarHBondContact O-N 2.66Å; D534-I537 PolarHBondContact O-N 3.03Å; D534-A538 VanDerWaalsContact O-CB 3.25Å; D534-A538 WeakPolarHBondContact O-CB 3.33Å; D534-A538 PolarHBondContact O-N 2.77Å
535	L	63.6	Low	72.7	Confident	66 Å²	66	77.8 Å²	77.8	35%	0.346	40%	0.397	S	S	.	.	H	α-helix	trans	-67	-44	178.4	-175.4	62.1	0	0	0	111.1	I537 A538 I539	L535-I537 PolarHBondContact O-N 2.93Å; L535-A538 PolarHBondContact O-N 3.09Å; L535-I539 HydrophobicContact CD1-CD1 4.07Å; L535-I539 HydrophobicContact CD1-CG1 4.35Å; L535-I539 HydrophobicContact CG-CD1 3.86Å; L535-I539 WeakPolarHBondContact O-CB 3.29Å; L535-I539 VanDerWaalsContact O-CG1 3.25Å; L535-I539 WeakPolarHBondContact O-CG1 3.5Å; L535-I539 PolarHBondContact O-N 3.06Å
536	D	67.1	Low	73.3	Confident	62 Å²	62	76.8 Å²	76.8	33%	0.332	39%	0.39	S	S	.	.	H	α-helix	trans	-57.9	-49.4	176.5	-73.8	-18.8	0	0	0	110.6	A538 I539 L540 K591	D536-A538 PolarHBondContact O-N 2.93Å; D536-I539 PolarHBondContact O-N 2.98Å; D536-L540 WeakPolarHBondContact O-CB 3.27Å; D536-L540 WeakPolarHBondContact O-CG 3.41Å; D536-L540 PolarHBondContact O-N 3Å; D536-K591 HydrophobicContact CB-CD 4.24Å; D536-K591 IonicContact OD2-NZ 2.87Å; D536-K591 PolarHBondContact OD2-NZ 3.38Å
537	I	74.7	Confident	74	Confident	31 Å²	31	75.4 Å²	75.4	16%	0.159	38%	0.383	C	S	.	.	H	α-helix	trans	-64.7	-42	-179	-62.5	164.8	0	0	0	110.5	E533 D534 L535 I539 L540 S541 K591 Q594 A595	E533-I537 WeakPolarHBondContact O-CG1 3.46Å; E533-I537 PolarHBondContact O-N 2.92Å; D534-I537 PolarHBondContact O-N 3.03Å; L535-I537 PolarHBondContact O-N 2.93Å; I537-I539 PolarHBondContact O-N 2.84Å; I537-L540 PolarHBondContact O-N 2.85Å; I537-S541 WeakPolarHBondContact O-CB 3.48Å; I537-S541 PolarHBondContact O-N 3.37Å; I537-K591 HydrophobicContact CG1-CB 4.36Å; I537-K591 HydrophobicContact CG1-CG 4.1Å; I537-Q594 HydrophobicContact CD1-CB 4.38Å; I537-Q594 HydrophobicContact CG2-CB 4.42Å; I537-A595 HydrophobicContact CG2-CB 4.28Å
538	A	71.6	Confident	74.9	Confident	47 Å²	47	68.5 Å²	68.5	39%	0.388	35%	0.351	S	S	.	.	H	α-helix	trans	-63.2	-40.2	177.5	0	0	0	0	0	112.2	D534 L535 D536 S541	D534-A538 VanDerWaalsContact O-CB 3.25Å; D534-A538 WeakPolarHBondContact O-CB 3.33Å; D534-A538 PolarHBondContact O-N 2.77Å; L535-A538 PolarHBondContact O-N 3.09Å; D536-A538 PolarHBondContact O-N 2.93Å; A538-S541 PolarHBondContact O-OG 2.73Å
539	I	74.4	Confident	76.2	Confident	80 Å²	80	64.1 Å²	64.1	41%	0.41	33%	0.327	S	S	.	.	H	α-helix	trans	-66.4	-49.7	174.6	-68	167.2	0	0	0	110	L535 D536 I537 S541 K542 H543	L535-I539 HydrophobicContact CD1-CD1 4.07Å; L535-I539 HydrophobicContact CD1-CG1 4.35Å; L535-I539 HydrophobicContact CG-CD1 3.86Å; L535-I539 WeakPolarHBondContact O-CB 3.29Å; L535-I539 VanDerWaalsContact O-CG1 3.25Å; L535-I539 WeakPolarHBondContact O-CG1 3.5Å; L535-I539 PolarHBondContact O-N 3.06Å; D536-I539 PolarHBondContact O-N 2.98Å; I537-I539 PolarHBondContact O-N 2.84Å; I539-S541 VanDerWaalsContact C-N 3.27Å; I539-S541 PolarHBondContact O-N 3.36Å; I539-K542 WeakPolarHBondContact O-CB 3.48Å; I539-K542 PolarHBondContact O-N 3.22Å; I539-K542 VanDerWaalsContact O-N 3.1Å; I539-H543 PolarHBondContact O-CD2 2.83Å; I539-H543 VanDerWaalsContact O-CD2 3.25Å
540	L	80.6	Confident	77.8	Confident	43 Å²	43	63.7 Å²	63.7	23%	0.225	32%	0.322	C	S	.	.	H	α-helix	trans	-59.1	-37.2	179.5	-71.5	170.2	0	0	0	112.2	D536 I537 K542 H543 I544 K591 N592 A595	D536-L540 WeakPolarHBondContact O-CB 3.27Å; D536-L540 WeakPolarHBondContact O-CG 3.41Å; D536-L540 PolarHBondContact O-N 3Å; I537-L540 PolarHBondContact O-N 2.85Å; L540-K542 PolarHBondContact O-N 3.43Å; L540-K542 VanDerWaalsContact O-N 3.16Å; L540-H543 CarbonylContact O-C 3.37Å; L540-H543 WeakPolarHBondContact O-CA 3.35Å; L540-H543 PolarHBondContact O-N 3.43Å; L540-I544 HydrophobicContact CD2-CD1 4.39Å; L540-I544 PolarHBondContact O-N 2.92Å; L540-K591 HydrophobicContact CD1-CB 3.96Å; L540-N592 WeakPolarHBondContact CD2-OD1 3.31Å; L540-A595 HydrophobicContact CB-CB 3.47Å; L540-A595 VanDerWaalsContact CB-CB 3.47Å
541	S	82.7	Confident	79.7	Confident	47 Å²	47	56 Å²	56	33%	0.329	29%	0.288	S	S	.	.	H	α-helix	trans	-65.1	-19.1	179.8	75.1	0	0	0	0	113.5	I537 A538 I539 H543	I537-S541 WeakPolarHBondContact O-CB 3.48Å; I537-S541 PolarHBondContact O-N 3.37Å; A538-S541 PolarHBondContact O-OG 2.73Å; I539-S541 VanDerWaalsContact C-N 3.27Å; I539-S541 PolarHBondContact O-N 3.36Å; S541-H543 VanDerWaalsContact C-N 3.28Å
542	K	82.8	Confident	81.2	Confident	141 Å²	141	53.5 Å²	53.5	61%	0.613	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-16.4	171.1	-63.6	175.8	-177.7	172.4	0	112.4	I539 L540 K572	I539-K542 WeakPolarHBondContact O-CB 3.48Å; I539-K542 PolarHBondContact O-N 3.22Å; I539-K542 VanDerWaalsContact O-N 3.1Å; L540-K542 PolarHBondContact O-N 3.43Å; L540-K542 VanDerWaalsContact O-N 3.16Å; K542-K572 PolarHBondContact O-NZ 3.35Å
543	H	84.6	Confident	82.7	Confident	126 Å²	126	53.6 Å²	53.6	58%	0.583	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.5	-8.5	-172.5	-63.9	-66	0	0	0	114	I539 L540 S541 K572	I539-H543 PolarHBondContact O-CD2 2.83Å; I539-H543 VanDerWaalsContact O-CD2 3.25Å; L540-H543 CarbonylContact O-C 3.37Å; L540-H543 WeakPolarHBondContact O-CA 3.35Å; L540-H543 PolarHBondContact O-N 3.43Å; S541-H543 VanDerWaalsContact C-N 3.28Å; H543-K572 VanDerWaalsContact O-CB 3.3Å; H543-K572 WeakPolarHBondContact O-CB 3.4Å
544	I	90.2	Very high	84.2	Confident	9 Å²	9	49 Å²	49	5%	0.046	26%	0.258	C	S	.	.			trans	-134.8	114.6	-177.9	-53.6	176.1	0	0	0	109.2	L540 F574 N592 A596	L540-I544 HydrophobicContact CD2-CD1 4.39Å; L540-I544 PolarHBondContact O-N 2.92Å; I544-F574 HydrophobicContact CD1-CB 4.05Å; I544-F574 HydrophobicContact CD1-CD2 3.93Å; I544-F574 HydrophobicContact CD1-CG 4.06Å; I544-F574 HydrophobicContact CG1-CB 4.15Å; I544-F574 HydrophobicContact CG2-CB 3.69Å; I544-N592 HydrophobicContact CD1-CB 3.88Å; I544-N592 WeakPolarHBondContact CD1-OD1 3.38Å; I544-A596 HydrophobicContact CG2-CB 3.79Å
545	D	93.6	Very high	85.5	Confident	30 Å²	30	43.9 Å²	43.9	16%	0.16	23%	0.231	C	C	.	.	S	Bend	trans	-94.5	-40.7	171.1	-62.8	-53.1	0	0	0	110.6	K572 K597 H598	D545-K572 HydrophobicContact CB-CB 4.43Å; D545-K572 PolarHBondContact N-O 3.5Å; D545-K572 WeakPolarHBondContact OD2-CB 3.48Å; D545-K572 WeakPolarHBondContact OD2-CG 3.25Å; D545-K572 PolarHBondContact OD2-N 3.16Å; D545-K572 VanDerWaalsContact OD2-N 3.09Å; D545-K597 PolarHBondContact O-N 3.32Å; D545-K597 IonicContact OD1-NZ 3.12Å; D545-H598 PolarHBondContact O-N 3.01Å
546	I	96.5	Very high	86.8	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	128.8	-171.4	-51.5	177.8	0	0	0	109.5	I548 L566 H571 K572 V573 F574 H598 V600 I682	I546-I548 HydrophobicContact CG2-CG1 4.4Å; I546-L566 HydrophobicContact CD1-CD1 3.93Å; I546-H571 HydrophobicContact CD1-CB 3.7Å; I546-H571 HydrophobicContact CG1-CB 4.47Å; I546-K572 PolarHBondContact N-O 3.38Å; I546-K572 VanDerWaalsContact N-O 3.09Å; I546-V573 HydrophobicContact CB-CG2 4.35Å; I546-V573 HydrophobicContact CD1-CG2 4.36Å; I546-V573 WeakPolarHBondContact O-CA 3.4Å; I546-F574 PolarHBondContact O-N 2.92Å; I546-H598 WeakPolarHBondContact CA-O 3.03Å; I546-H598 HydrophobicContact CG1-CB 4.16Å; I546-H598 HydrophobicContact CG2-CB 4.36Å; I546-V600 HydrophobicContact CG2-CB 4.41Å; I546-V600 HydrophobicContact CG2-CG2 3.68Å; I546-I682 HydrophobicContact CD1-CD1 3.55Å; I546-I682 HydrophobicContact CD1-CG1 4.31Å
547	F	96	Very high	87.9	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	130.3	167.8	-173.6	-81.5	0	0	0	109.7	F574 L589 N592 I593 A596 H598 F599 V600 E624	F547-F574 AromaticContact CD2-CD1 3.55Å; F547-F574 HydrophobicContact CD2-CD1 3.55Å; F547-F574 HydrophobicContact CD2-CE1 4.24Å; F547-F574 HydrophobicContact CD2-CG 4.42Å; F547-F574 AromaticContact CE2-CD1 3.47Å; F547-F574 HydrophobicContact CE2-CD1 3.47Å; F547-F574 VanDerWaalsContact CE2-CD1 3.47Å; F547-F574 AromaticContact CE2-CE1 3.71Å; F547-F574 HydrophobicContact CE2-CE1 3.71Å; F547-F574 HydrophobicContact CZ-CD1 4.49Å; F547-L589 HydrophobicContact CE2-CD1 3.86Å; F547-L589 HydrophobicContact CZ-CD1 3.81Å; F547-L589 HydrophobicContact CZ-CG 4.48Å; F547-N592 HydrophobicContact CD2-CB 4.25Å; F547-N592 HydrophobicContact CE2-CB 4.24Å; F547-I593 HydrophobicContact CD1-CD1 4.48Å; F547-I593 HydrophobicContact CD1-CG1 3.92Å; F547-I593 HydrophobicContact CD2-CG1 3.63Å; F547-I593 HydrophobicContact CE1-CD1 4.03Å; F547-I593 HydrophobicContact CE1-CG1 3.84Å; F547-I593 HydrophobicContact CE2-CD1 4.27Å; F547-I593 HydrophobicContact CE2-CG1 3.55Å; F547-I593 HydrophobicContact CG-CG1 3.82Å; F547-I593 HydrophobicContact CZ-CD1 3.92Å; F547-I593 HydrophobicContact CZ-CG1 3.66Å; F547-A596 HydrophobicContact CB-CB 3.79Å; F547-H598 PolarHBondContact N-O 3.06Å; F547-F599 HydrophobicContact CB-CD2 4.23Å; F547-F599 AromaticContact CD1-CD2 3.65Å; F547-F599 HydrophobicContact CD1-CD2 3.65Å; F547-F599 AromaticContact CD1-CE2 3.44Å; F547-F599 HydrophobicContact CD1-CE2 3.44Å; F547-F599 VanDerWaalsContact CD1-CE2 3.44Å; F547-F599 HydrophobicContact CD1-CZ 4.38Å; F547-F599 HydrophobicContact CE1-CD2 4.44Å; F547-F599 AromaticContact CE1-CE2 3.79Å; F547-F599 HydrophobicContact CE1-CE2 3.79Å; F547-F599 HydrophobicContact CG-CD2 4.26Å; F547-F599 HydrophobicContact CG-CE2 4.4Å; F547-F599 CarbonylContact O-C 3.56Å; F547-F599 WeakPolarHBondContact O-CA 3.45Å; F547-V600 PolarHBondContact O-N 3.39Å; F547-E624 HydrophobicContact CE1-CG 4.43Å; F547-E624 HydrophobicContact CZ-CG 4.47Å
548	I	96.7	Very high	88.7	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	114.6	174.6	-57.1	-175.1	0	0	0	109.9	I546 A559 I562 K563 V573 F574 I575 V600 V602	I546-I548 HydrophobicContact CG2-CG1 4.4Å; I548-A559 HydrophobicContact CG2-CB 3.92Å; I548-I562 HydrophobicContact CD1-CB 4.33Å; I548-I562 HydrophobicContact CD1-CG2 3.87Å; I548-K563 HydrophobicContact CD1-CB 4.07Å; I548-V573 HydrophobicContact CD1-CG1 3.44Å; I548-V573 VanDerWaalsContact CD1-CG1 3.44Å; I548-V573 HydrophobicContact CG1-CG1 3.66Å; I548-F574 PolarHBondContact N-O 2.84Å; I548-I575 HydrophobicContact CB-CB 4.47Å; I548-I575 HydrophobicContact CB-CG1 4.43Å; I548-V600 CarbonylContact C-O 3.56Å; I548-V600 WeakPolarHBondContact CA-O 3.48Å; I548-V600 HydrophobicContact CG1-CB 4.19Å; I548-V602 HydrophobicContact CG2-CG2 3.74Å
549	S	95.8	Very high	89.9	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	137.3	169.3	177.7	0	0	0	0	110.6	V600 V602 E624	S549-V600 PolarHBondContact N-O 2.98Å; S549-V602 PolarHBondContact O-N 3.07Å; S549-E624 WeakPolarHBondContact CB-OE2 3.5Å; S549-E624 PolarHBondContact OG-OE2 2.98Å
550	Y	95.3	Very high	90.7	Very high	18 Å²	18	33.1 Å²	33.1	7%	0.071	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	156.1	-177.3	71.2	-72.4	0	0	0	111.6	R552 N556 A559 I575 D576	Y550-R552 HydrophobicContact CE2-CB 4.47Å; Y550-R552 HydrophobicContact CE2-CG 4.2Å; Y550-R552 PolarHBondContact O-N 3.15Å; Y550-N556 HydrophobicContact CD2-CB 4.41Å; Y550-N556 VanDerWaalsContact CE2-CA 3.48Å; Y550-N556 HydrophobicContact CE2-CB 3.84Å; Y550-A559 HydrophobicContact CD1-CB 3.91Å; Y550-A559 HydrophobicContact CD2-CB 3.96Å; Y550-A559 HydrophobicContact CG-CB 3.58Å; Y550-I575 HydrophobicContact CD1-CD1 3.75Å; Y550-I575 HydrophobicContact CD1-CG1 3.74Å; Y550-I575 HydrophobicContact CE1-CD1 3.39Å; Y550-I575 HydrophobicContact CE1-CG1 3.23Å; Y550-D576 PolarHBondContact OH-O 3.3Å; Y550-D576 VanDerWaalsContact OH-O 3.09Å
551	R	93.6	Very high	91.4	Very high	17 Å²	17	31.7 Å²	31.7	6%	0.064	16%	0.159	C	C	.	.			trans	-79.6	116.8	170.3	-176.4	62.5	58.5	-166.1	0.4	110.1	S553 T554 G555 S607 C611 D619	R551-S553 VanDerWaalsContact C-N 3.28Å; R551-S553 WeakPolarHBondContact CG-OG 3.38Å; R551-S553 PolarHBondContact O-N 3.39Å; R551-S553 VanDerWaalsContact O-N 3.14Å; R551-T554 PolarHBondContact O-N 3.01Å; R551-G555 WeakPolarHBondContact O-CA 3.42Å; R551-G555 PolarHBondContact O-N 2.83Å; R551-S607 PolarHBondContact NE-O 2.94Å; R551-S607 PolarHBondContact NH2-O 3.26Å; R551-C611 PolarHBondContact NH2-SG 3.1Å; R551-D619 IonicContact CZ-OD1 2.69Å; R551-D619 IonicContact CZ-OD2 3.53Å; R551-D619 VanDerWaalsContact CZ-OD2 3.27Å; R551-D619 VanDerWaalsContact NH1-CG 3.27Å; R551-D619 IonicContact NH1-OD1 3.78Å; R551-D619 PolarHBondContact NH1-OD1 2.96Å; R551-D619 IonicContact NH1-OD2 3.28Å; R551-D619 PolarHBondContact NH1-OD2 3.48Å; R551-D619 IonicContact NH2-OD1 3.54Å; R551-D619 IonicContact NH2-OD2 3.7Å; R551-D619 PolarHBondContact NH2-OD2 3.17Å
552	R	86.7	Confident	92	Very high	89 Å²	89	29.4 Å²	29.4	34%	0.336	14%	0.143	S	C	.	.	H	α-helix	trans	-52.3	-39	-176.5	-63.2	-175.8	-175.4	154.9	3.7	114.8	Y550 T554 D576 D578	Y550-R552 HydrophobicContact CE2-CB 4.47Å; Y550-R552 HydrophobicContact CE2-CG 4.2Å; Y550-R552 PolarHBondContact O-N 3.15Å; R552-T554 PolarHBondContact O-N 2.8Å; R552-D576 IonicContact CZ-OD2 3.36Å; R552-D576 IonicContact NH2-OD2 3.2Å; R552-D576 PolarHBondContact NH2-OD2 2.8Å; R552-D578 VanDerWaalsContact CD-OD1 3.22Å; R552-D578 WeakPolarHBondContact CD-OD1 3.5Å; R552-D578 IonicContact CZ-OD1 2.69Å; R552-D578 IonicContact NE-OD1 3.06Å; R552-D578 PolarHBondContact NE-OD1 3.33Å; R552-D578 IonicContact NH1-OD1 3.7Å; R552-D578 PolarHBondContact NH1-OD1 3.35Å; R552-D578 IonicContact NH2-OD1 3.6Å
553	S	87.6	Confident	92.6	Very high	79 Å²	79	23 Å²	23	55%	0.552	12%	0.116	S	C	*	.	H	α-helix	trans	-73	-24.1	-176.4	51.3	0	0	0	0	115	Q250 R551	Q250-S553 PolarHBondContact NE2-O 3.17Å; R551-S553 VanDerWaalsContact C-N 3.28Å; R551-S553 WeakPolarHBondContact CG-OG 3.38Å; R551-S553 PolarHBondContact O-N 3.39Å; R551-S553 VanDerWaalsContact O-N 3.14Å
554	T	90.7	Very high	93	Very high	36 Å²	36	17 Å²	17	22%	0.221	9%	0.088	C	C	.	.	H	α-helix	trans	-129.8	-29.1	-170.6	56.4	0	0	0	0	113.5	R551 R552 T604 P605	R551-T554 PolarHBondContact O-N 3.01Å; R552-T554 PolarHBondContact O-N 2.8Å; T554-T604 WeakPolarHBondContact CB-OG1 3.42Å; T554-T604 PolarHBondContact OG1-OG1 3.43Å; T554-P605 WeakPolarHBondContact CG2-O 3.34Å
555	G	91.3	Very high	93.2	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-99.4	-8.2	-173.8	0	0	0	0	0	115.6	R551 Q557 L558 A559 T604	R551-G555 WeakPolarHBondContact O-CA 3.42Å; R551-G555 PolarHBondContact O-N 2.83Å; G555-Q557 VanDerWaalsContact C-N 3.33Å; G555-Q557 PolarHBondContact O-N 2.93Å; G555-L558 PolarHBondContact O-N 3.4Å; G555-A559 VanDerWaalsContact O-CB 3.26Å; G555-A559 WeakPolarHBondContact O-CB 3.44Å; G555-A559 PolarHBondContact O-N 3.01Å; G555-T604 PolarHBondContact N-OG1 3.47Å
556	N	89.4	Confident	93.3	Very high	15 Å²	15	15.6 Å²	15.6	8%	0.08	8%	0.08	C	C	.	.	H	α-helix	trans	-54	-47.4	-173.4	67.1	-48.1	0	0	0	112.7	S248 Q250 Y550 L558 S560	S248-N556 PolarHBondContact O-ND2 2.57Å; Q250-N556 WeakPolarHBondContact CG-ND2 3.17Å; Q250-N556 PolarHBondContact NE2-OD1 3.08Å; Y550-N556 HydrophobicContact CD2-CB 4.41Å; Y550-N556 VanDerWaalsContact CE2-CA 3.48Å; Y550-N556 HydrophobicContact CE2-CB 3.84Å; N556-L558 PolarHBondContact O-N 2.88Å; N556-S560 WeakPolarHBondContact O-CB 3.42Å; N556-S560 PolarHBondContact O-N 3.42Å; N556-S560 PolarHBondContact O-OG 2.94Å; N556-S560 VanDerWaalsContact O-OG 3.09Å
557	Q	90	Very high	93.2	Very high	32 Å²	32	17.4 Å²	17.4	15%	0.15	9%	0.089	C	C	.	.	H	α-helix	trans	-65.3	-43.7	-176.8	-173	59.6	38.9	0	0	112.3	T207 F212 G555 L561	T207-Q557 HydrophobicContact CG2-CG 3.7Å; F212-Q557 VanDerWaalsContact CZ-NE2 3.31Å; G555-Q557 VanDerWaalsContact C-N 3.33Å; G555-Q557 PolarHBondContact O-N 2.93Å; Q557-L561 WeakPolarHBondContact O-CB 3.36Å; Q557-L561 PolarHBondContact O-N 2.57Å
558	L	93.4	Very high	93	Very high	12 Å²	12	20.6 Å²	20.6	6%	0.063	11%	0.105	C	C	.	.	H	α-helix	trans	-71.2	-42.4	-179.7	179.8	55.9	0	0	0	111.1	G555 N556 L561 I562 V602 T604 D640 W666	G555-L558 PolarHBondContact O-N 3.4Å; N556-L558 PolarHBondContact O-N 2.88Å; L558-L561 PolarHBondContact O-N 3.36Å; L558-I562 HydrophobicContact CD1-CD1 3.9Å; L558-I562 HydrophobicContact CD1-CG1 4.16Å; L558-I562 HydrophobicContact CG-CD1 3.85Å; L558-I562 VanDerWaalsContact O-CG1 3.27Å; L558-I562 WeakPolarHBondContact O-CG1 3.34Å; L558-I562 PolarHBondContact O-N 3.44Å; L558-V602 HydrophobicContact CB-CG1 4.14Å; L558-V602 HydrophobicContact CD2-CG1 3.72Å; L558-V602 HydrophobicContact CG-CG1 3.88Å; L558-T604 HydrophobicContact CD2-CG2 4.25Å; L558-D640 HydrophobicContact CD2-CB 4.36Å; L558-W666 HydrophobicContact CD1-CD2 3.67Å; L558-W666 HydrophobicContact CD1-CE3 4.34Å; L558-W666 HydrophobicContact CD1-CG 3.78Å; L558-W666 HydrophobicContact CD1-CZ2 4.14Å; L558-W666 HydrophobicContact CD2-CG 4.46Å
559	A	94.9	Very high	92.8	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.7	-45.4	177.3	0	0	0	0	0	111.9	I548 Y550 G555 L561 I562 K563 I575 V602	I548-A559 HydrophobicContact CG2-CB 3.92Å; Y550-A559 HydrophobicContact CD1-CB 3.91Å; Y550-A559 HydrophobicContact CD2-CB 3.96Å; Y550-A559 HydrophobicContact CG-CB 3.58Å; G555-A559 VanDerWaalsContact O-CB 3.26Å; G555-A559 WeakPolarHBondContact O-CB 3.44Å; G555-A559 PolarHBondContact O-N 3.01Å; A559-L561 VanDerWaalsContact C-N 3.34Å; A559-L561 PolarHBondContact O-N 3.46Å; A559-I562 PolarHBondContact O-N 2.93Å; A559-K563 WeakPolarHBondContact O-CB 3.48Å; A559-K563 PolarHBondContact O-N 3.09Å; A559-I575 HydrophobicContact CB-CD1 3.59Å; A559-V602 HydrophobicContact CB-CG2 4.1Å
560	S	92.9	Very high	92.7	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.9	-36.2	175.2	-63.2	0	0	0	0	112.2	S248 N556 K563 V564	S248-S560 WeakPolarHBondContact CB-OG 3.35Å; S248-S560 PolarHBondContact OG-OG 3.48Å; S248-S560 VanDerWaalsContact OG-OG 3.11Å; N556-S560 WeakPolarHBondContact O-CB 3.42Å; N556-S560 PolarHBondContact O-N 3.42Å; N556-S560 PolarHBondContact O-OG 2.94Å; N556-S560 VanDerWaalsContact O-OG 3.09Å; S560-K563 PolarHBondContact O-N 2.95Å; S560-V564 WeakPolarHBondContact O-CG2 3.21Å; S560-V564 PolarHBondContact O-N 3.08Å
561	L	93.9	Very high	92.6	Very high	13 Å²	13	28.7 Å²	28.7	7%	0.068	16%	0.157	C	C	.	.	H	α-helix	trans	-64.9	-47.5	174.9	178.6	60.7	0	0	0	111.3	W242 L245 Q557 L558 A559 K563 V564 L565 W666	W242-L561 HydrophobicContact CZ3-CD1 4.38Å; L245-L561 HydrophobicContact CD1-CB 4.01Å; L245-L561 HydrophobicContact CD2-CD1 4.27Å; Q557-L561 WeakPolarHBondContact O-CB 3.36Å; Q557-L561 PolarHBondContact O-N 2.57Å; L558-L561 PolarHBondContact O-N 3.36Å; A559-L561 VanDerWaalsContact C-N 3.34Å; A559-L561 PolarHBondContact O-N 3.46Å; L561-K563 VanDerWaalsContact C-N 3.32Å; L561-K563 PolarHBondContact O-N 3.42Å; L561-V564 PolarHBondContact O-N 2.9Å; L561-L565 HydrophobicContact CD1-CD1 3.89Å; L561-L565 HydrophobicContact CD1-CG 4.11Å; L561-L565 HydrophobicContact CG-CD1 3.83Å; L561-L565 HydrophobicContact CG-CG 4.44Å; L561-L565 VanDerWaalsContact O-CG 3.27Å; L561-L565 WeakPolarHBondContact O-CG 3.42Å; L561-L565 PolarHBondContact O-N 3.06Å; L561-W666 HydrophobicContact CD2-CZ2 3.75Å; L561-W666 HydrophobicContact CG-CZ2 4.35Å
562	I	95.7	Very high	92.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.9	-42.9	177.4	-68	163.9	0	0	0	110.6	I548 L558 A559 V564 L565 L566 V602 V638 W666 L678	I548-I562 HydrophobicContact CD1-CB 4.33Å; I548-I562 HydrophobicContact CD1-CG2 3.87Å; L558-I562 HydrophobicContact CD1-CD1 3.9Å; L558-I562 HydrophobicContact CD1-CG1 4.16Å; L558-I562 HydrophobicContact CG-CD1 3.85Å; L558-I562 VanDerWaalsContact O-CG1 3.27Å; L558-I562 WeakPolarHBondContact O-CG1 3.34Å; L558-I562 PolarHBondContact O-N 3.44Å; A559-I562 PolarHBondContact O-N 2.93Å; I562-V564 PolarHBondContact O-N 3.17Å; I562-L565 PolarHBondContact O-N 3.27Å; I562-L566 HydrophobicContact CG2-CD1 3.64Å; I562-L566 HydrophobicContact CG2-CG 4.21Å; I562-L566 WeakPolarHBondContact O-CB 3.34Å; I562-L566 WeakPolarHBondContact O-CG 3.25Å; I562-L566 PolarHBondContact O-N 3.46Å; I562-V602 HydrophobicContact CD1-CG2 4.01Å; I562-V638 HydrophobicContact CD1-CB 4.28Å; I562-V638 HydrophobicContact CD1-CG1 3.84Å; I562-V638 HydrophobicContact CD1-CG2 4.31Å; I562-W666 HydrophobicContact CG1-CE3 4.45Å; I562-W666 HydrophobicContact CG1-CH2 4.25Å; I562-W666 HydrophobicContact CG1-CZ3 4Å; I562-L678 HydrophobicContact CG2-CD1 4.12Å
563	K	95.1	Very high	92.9	Very high	7 Å²	7	29 Å²	29	3%	0.03	16%	0.162	C	C	.	.	H	α-helix	trans	-53.9	-54.6	173.8	169.3	173.4	175.9	-67.4	0	111.1	F244 S278 I548 A559 S560 L561 L565 L566 Q567 V573 I575	F244-K563 HydrophobicContact CD1-CD 3.83Å; F244-K563 HydrophobicContact CE1-CD 3.48Å; F244-K563 VanDerWaalsContact CE1-CD 3.48Å; F244-K563 HydrophobicContact CE2-CD 4.18Å; F244-K563 HydrophobicContact CG-CD 4.35Å; F244-K563 VanDerWaalsContact CG-NZ 3.28Å; F244-K563 HydrophobicContact CZ-CD 3.65Å; S278-K563 PolarHBondContact O-NZ 3.11Å; I548-K563 HydrophobicContact CD1-CB 4.07Å; A559-K563 WeakPolarHBondContact O-CB 3.48Å; A559-K563 PolarHBondContact O-N 3.09Å; S560-K563 PolarHBondContact O-N 2.95Å; L561-K563 VanDerWaalsContact C-N 3.32Å; L561-K563 PolarHBondContact O-N 3.42Å; K563-L565 VanDerWaalsContact C-N 3.33Å; K563-L565 PolarHBondContact O-N 3.4Å; K563-L566 PolarHBondContact O-N 3.33Å; K563-Q567 HydrophobicContact CG-CG 4.33Å; K563-Q567 VanDerWaalsContact CG-OE1 3.29Å; K563-Q567 WeakPolarHBondContact O-CB 3.25Å; K563-Q567 VanDerWaalsContact O-CG 3.31Å; K563-Q567 WeakPolarHBondContact O-CG 3.47Å; K563-Q567 PolarHBondContact O-N 2.94Å; K563-V573 HydrophobicContact CB-CG1 4.1Å; K563-V573 HydrophobicContact CG-CB 4.16Å; K563-V573 HydrophobicContact CG-CG1 4.05Å; K563-I575 HydrophobicContact CD-CB 4.37Å; K563-I575 HydrophobicContact CD-CG2 3.51Å
564	V	93.4	Very high	93.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-59	-47.1	-178.8	173	0	0	0	0	110.5	D241 W242 F244 L245 S560 L561 I562 L566 Q567 L568	D241-V564 HydrophobicContact CB-CG1 4.31Å; D241-V564 WeakPolarHBondContact O-CG2 3.43Å; W242-V564 HydrophobicContact CD2-CG1 3.88Å; W242-V564 HydrophobicContact CE3-CG1 3.89Å; W242-V564 HydrophobicContact CG-CG1 4.41Å; W242-V564 HydrophobicContact CH2-CG1 4.31Å; W242-V564 HydrophobicContact CZ2-CG1 4.31Å; W242-V564 HydrophobicContact CZ3-CG1 4.11Å; F244-V564 HydrophobicContact CB-CG2 4.4Å; L245-V564 HydrophobicContact CB-CG2 4.38Å; S560-V564 WeakPolarHBondContact O-CG2 3.21Å; S560-V564 PolarHBondContact O-N 3.08Å; L561-V564 PolarHBondContact O-N 2.9Å; I562-V564 PolarHBondContact O-N 3.17Å; V564-L566 PolarHBondContact O-N 3.44Å; V564-Q567 PolarHBondContact O-N 3.39Å; V564-L568 HydrophobicContact CG1-CD1 4.07Å; V564-L568 HydrophobicContact CG1-CG 4.42Å; V564-L568 WeakPolarHBondContact O-CG 3.38Å; V564-L568 PolarHBondContact O-N 3.32Å
565	L	95	Very high	93.1	Very high	8 Å²	8	26.3 Å²	26.3	4%	0.042	14%	0.138	C	C	.	.	H	α-helix	trans	-64	-40.6	-178.4	-66.3	170.7	0	0	0	113	W242 L561 I562 K563 R569 W666 V675	W242-L565 HydrophobicContact CH2-CD2 4.31Å; L561-L565 HydrophobicContact CD1-CD1 3.89Å; L561-L565 HydrophobicContact CD1-CG 4.11Å; L561-L565 HydrophobicContact CG-CD1 3.83Å; L561-L565 HydrophobicContact CG-CG 4.44Å; L561-L565 VanDerWaalsContact O-CG 3.27Å; L561-L565 WeakPolarHBondContact O-CG 3.42Å; L561-L565 PolarHBondContact O-N 3.06Å; I562-L565 PolarHBondContact O-N 3.27Å; K563-L565 VanDerWaalsContact C-N 3.33Å; K563-L565 PolarHBondContact O-N 3.4Å; L565-R569 WeakPolarHBondContact O-CG 3.43Å; L565-R569 PolarHBondContact O-N 2.81Å; L565-W666 HydrophobicContact CD1-CH2 3.76Å; L565-W666 HydrophobicContact CD1-CZ2 4.33Å; L565-V675 HydrophobicContact CB-CG2 3.81Å; L565-V675 HydrophobicContact CD1-CG2 3.73Å; L565-V675 HydrophobicContact CG-CG2 4.33Å
566	L	95.6	Very high	92.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-71.5	-36.7	176.5	-72.4	173.4	0	0	0	112.3	I546 I562 K563 V564 L568 R569 G570 H571 V573 V675 E679 I682	I546-L566 HydrophobicContact CD1-CD1 3.93Å; I562-L566 HydrophobicContact CG2-CD1 3.64Å; I562-L566 HydrophobicContact CG2-CG 4.21Å; I562-L566 WeakPolarHBondContact O-CB 3.34Å; I562-L566 WeakPolarHBondContact O-CG 3.25Å; I562-L566 PolarHBondContact O-N 3.46Å; K563-L566 PolarHBondContact O-N 3.33Å; V564-L566 PolarHBondContact O-N 3.44Å; L566-L568 VanDerWaalsContact C-N 3.33Å; L566-L568 PolarHBondContact O-N 3.18Å; L566-R569 CarbonylContact O-C 3.54Å; L566-R569 WeakPolarHBondContact O-CA 3.5Å; L566-R569 WeakPolarHBondContact O-CB 3.4Å; L566-R569 PolarHBondContact O-N 3.36Å; L566-R569 VanDerWaalsContact O-N 3.08Å; L566-G570 PolarHBondContact O-N 2.9Å; L566-H571 HydrophobicContact CB-CB 4.34Å; L566-H571 PolarHBondContact O-CD2 3.09Å; L566-H571 PolarHBondContact O-N 2.96Å; L566-H571 VanDerWaalsContact O-N 3.13Å; L566-V573 HydrophobicContact CB-CG2 3.7Å; L566-V573 HydrophobicContact CD1-CG2 4.4Å; L566-V675 HydrophobicContact CD2-CG1 4.35Å; L566-E679 HydrophobicContact CD2-CG 4.45Å; L566-I682 HydrophobicContact CD2-CD1 3.99Å
567	Q	93.1	Very high	91.5	Very high	39 Å²	39	27.3 Å²	27.3	18%	0.182	14%	0.144	C	C	.	.	H	α-helix	trans	-63.9	-38.9	174.1	-75.4	-176.5	-64.5	0	0	111.8	K563 V564 R569 G570 V573	K563-Q567 HydrophobicContact CG-CG 4.33Å; K563-Q567 VanDerWaalsContact CG-OE1 3.29Å; K563-Q567 WeakPolarHBondContact O-CB 3.25Å; K563-Q567 VanDerWaalsContact O-CG 3.31Å; K563-Q567 WeakPolarHBondContact O-CG 3.47Å; K563-Q567 PolarHBondContact O-N 2.94Å; V564-Q567 PolarHBondContact O-N 3.39Å; Q567-R569 PolarHBondContact O-N 3Å; Q567-G570 PolarHBondContact O-N 2.92Å; Q567-V573 HydrophobicContact CG-CB 4.14Å; Q567-V573 HydrophobicContact CG-CG2 4.04Å
568	L	92.2	Very high	89.9	Confident	66 Å²	66	29.2 Å²	29.2	35%	0.346	16%	0.155	S	C	.	.	H	α-helix	trans	-61.9	-24.9	173	-69	173.3	0	0	0	112.9	N238 W242 V564 L566 G570	N238-L568 HydrophobicContact CB-CD2 3.41Å; N238-L568 VanDerWaalsContact CB-CD2 3.41Å; N238-L568 VanDerWaalsContact CG-CD2 3.46Å; N238-L568 WeakPolarHBondContact ND2-CD2 3.44Å; W242-L568 HydrophobicContact CZ2-CD1 3.69Å; V564-L568 HydrophobicContact CG1-CD1 4.07Å; V564-L568 HydrophobicContact CG1-CG 4.42Å; V564-L568 WeakPolarHBondContact O-CG 3.38Å; V564-L568 PolarHBondContact O-N 3.32Å; L566-L568 VanDerWaalsContact C-N 3.33Å; L566-L568 PolarHBondContact O-N 3.18Å; L568-G570 VanDerWaalsContact C-N 3.35Å
569	R	93.4	Very high	88	Confident	93 Å²	93	35.3 Å²	35.3	35%	0.351	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-1.1	173.5	-61	-74.1	-177.3	119.4	-3	113.1	L565 L566 Q567 E672 V675 D676 E679	L565-R569 WeakPolarHBondContact O-CG 3.43Å; L565-R569 PolarHBondContact O-N 2.81Å; L566-R569 CarbonylContact O-C 3.54Å; L566-R569 WeakPolarHBondContact O-CA 3.5Å; L566-R569 WeakPolarHBondContact O-CB 3.4Å; L566-R569 PolarHBondContact O-N 3.36Å; L566-R569 VanDerWaalsContact O-N 3.08Å; Q567-R569 PolarHBondContact O-N 3Å; R569-E672 IonicContact CZ-OE2 2.79Å; R569-E672 IonicContact NH2-OE2 2.93Å; R569-E672 PolarHBondContact NH2-OE2 2.96Å; R569-V675 HydrophobicContact CG-CG1 4.24Å; R569-D676 IonicContact CZ-OD1 3.98Å; R569-D676 VanDerWaalsContact CZ-OD1 3.29Å; R569-D676 IonicContact NH1-OD1 3.89Å; R569-D676 PolarHBondContact NH1-OD1 3.04Å; R569-D676 IonicContact NH2-OD1 3.22Å; R569-D676 PolarHBondContact NH2-OD1 3.22Å; R569-E679 WeakPolarHBondContact CB-OE1 3.27Å; R569-E679 IonicContact CZ-OE2 3.97Å; R569-E679 IonicContact NE-OE2 3.58Å; R569-E679 IonicContact NH1-OE2 3.04Å; R569-E679 PolarHBondContact NH1-OE2 3.14Å
570	G	92.4	Very high	85.5	Confident	63 Å²	63	39.8 Å²	39.8	65%	0.649	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	97.9	4.3	174.9	0	0	0	0	0	115.7	L566 Q567 L568	L566-G570 PolarHBondContact O-N 2.9Å; Q567-G570 PolarHBondContact O-N 2.92Å; L568-G570 VanDerWaalsContact C-N 3.35Å
571	H	94.3	Very high	82.9	Confident	33 Å²	33	45.6 Å²	45.6	15%	0.153	22%	0.224	C	C	.	.			trans	-79.4	142.1	178.5	-61.8	-74.7	0	0	0	112	I546 L566 V573 E679	I546-H571 HydrophobicContact CD1-CB 3.7Å; I546-H571 HydrophobicContact CG1-CB 4.47Å; L566-H571 HydrophobicContact CB-CB 4.34Å; L566-H571 PolarHBondContact O-CD2 3.09Å; L566-H571 PolarHBondContact O-N 2.96Å; L566-H571 VanDerWaalsContact O-N 3.13Å; H571-V573 HydrophobicContact CB-CG2 4.08Å; H571-V573 PolarHBondContact O-N 3.47Å; H571-E679 IonicContact CD2-OE1 2.9Å; H571-E679 IonicContact CE1-OE1 3.98Å; H571-E679 IonicContact NE2-OE1 3.41Å; H571-E679 PolarHBondContact NE2-OE1 3.42Å
572	K	92.6	Very high	80	Confident	99 Å²	99	50.5 Å²	50.5	43%	0.43	27%	0.266	S	S	.	.			trans	-87.6	102.9	171.7	-58.8	171.2	-170.8	157	0	110	K542 H543 D545 I546	K542-K572 PolarHBondContact O-NZ 3.35Å; H543-K572 VanDerWaalsContact O-CB 3.3Å; H543-K572 WeakPolarHBondContact O-CB 3.4Å; D545-K572 HydrophobicContact CB-CB 4.43Å; D545-K572 PolarHBondContact N-O 3.5Å; D545-K572 WeakPolarHBondContact OD2-CB 3.48Å; D545-K572 WeakPolarHBondContact OD2-CG 3.25Å; D545-K572 PolarHBondContact OD2-N 3.16Å; D545-K572 VanDerWaalsContact OD2-N 3.09Å; I546-K572 PolarHBondContact N-O 3.38Å; I546-K572 VanDerWaalsContact N-O 3.09Å
573	V	94.1	Very high	77.3	Confident	14 Å²	14	53.2 Å²	53.2	9%	0.085	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	125.1	-172.7	-172.9	0	0	0	0	110.8	I546 I548 K563 L566 Q567 H571	I546-V573 HydrophobicContact CB-CG2 4.35Å; I546-V573 HydrophobicContact CD1-CG2 4.36Å; I546-V573 WeakPolarHBondContact O-CA 3.4Å; I548-V573 HydrophobicContact CD1-CG1 3.44Å; I548-V573 VanDerWaalsContact CD1-CG1 3.44Å; I548-V573 HydrophobicContact CG1-CG1 3.66Å; K563-V573 HydrophobicContact CB-CG1 4.1Å; K563-V573 HydrophobicContact CG-CB 4.16Å; K563-V573 HydrophobicContact CG-CG1 4.05Å; L566-V573 HydrophobicContact CB-CG2 3.7Å; L566-V573 HydrophobicContact CD1-CG2 4.4Å; Q567-V573 HydrophobicContact CG-CB 4.14Å; Q567-V573 HydrophobicContact CG-CG2 4.04Å; H571-V573 HydrophobicContact CB-CG2 4.08Å; H571-V573 PolarHBondContact O-N 3.47Å
574	F	91.8	Very high	75.1	Confident	46 Å²	46	58 Å²	58	20%	0.202	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	137.1	170.7	-172.6	-87.2	0	0	0	110.4	I544 I546 F547 I548 D576 L589 N592	I544-F574 HydrophobicContact CD1-CB 4.05Å; I544-F574 HydrophobicContact CD1-CD2 3.93Å; I544-F574 HydrophobicContact CD1-CG 4.06Å; I544-F574 HydrophobicContact CG1-CB 4.15Å; I544-F574 HydrophobicContact CG2-CB 3.69Å; I546-F574 PolarHBondContact O-N 2.92Å; F547-F574 AromaticContact CD2-CD1 3.55Å; F547-F574 HydrophobicContact CD2-CD1 3.55Å; F547-F574 HydrophobicContact CD2-CE1 4.24Å; F547-F574 HydrophobicContact CD2-CG 4.42Å; F547-F574 AromaticContact CE2-CD1 3.47Å; F547-F574 HydrophobicContact CE2-CD1 3.47Å; F547-F574 VanDerWaalsContact CE2-CD1 3.47Å; F547-F574 AromaticContact CE2-CE1 3.71Å; F547-F574 HydrophobicContact CE2-CE1 3.71Å; F547-F574 HydrophobicContact CZ-CD1 4.49Å; I548-F574 PolarHBondContact N-O 2.84Å; F574-D576 HydrophobicContact CE1-CB 4.37Å; F574-L589 HydrophobicContact CE1-CD1 4.22Å; F574-N592 HydrophobicContact CD1-CB 4.24Å; F574-N592 HydrophobicContact CE1-CB 4.18Å; F574-N592 HydrophobicContact CZ-CB 4.48Å; F574-N592 WeakPolarHBondContact CZ-ND2 3.36Å
575	I	89.7	Confident	73.1	Confident	12 Å²	12	59.9 Å²	59.9	6%	0.062	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	134.8	171.6	-172.5	172.9	0	0	0	106.7	F244 I548 Y550 A559 K563 V577	F244-I575 HydrophobicContact CE1-CG2 3.87Å; F244-I575 HydrophobicContact CE2-CG2 4.4Å; F244-I575 HydrophobicContact CZ-CG2 3.38Å; I548-I575 HydrophobicContact CB-CB 4.47Å; I548-I575 HydrophobicContact CB-CG1 4.43Å; Y550-I575 HydrophobicContact CD1-CD1 3.75Å; Y550-I575 HydrophobicContact CD1-CG1 3.74Å; Y550-I575 HydrophobicContact CE1-CD1 3.39Å; Y550-I575 HydrophobicContact CE1-CG1 3.23Å; A559-I575 HydrophobicContact CB-CD1 3.59Å; K563-I575 HydrophobicContact CD-CB 4.37Å; K563-I575 HydrophobicContact CD-CG2 3.51Å; I575-V577 HydrophobicContact CG2-CG2 3.82Å; I575-V577 PolarHBondContact O-N 3.47Å
576	D	80.6	Confident	71.3	Confident	5 Å²	5	63.1 Å²	63.1	3%	0.027	35%	0.346	C	S	.	.			trans	-77.3	111.2	175.7	177.7	40.6	0	0	0	110.2	Y550 R552 F574 F585 L589	Y550-D576 PolarHBondContact OH-O 3.3Å; Y550-D576 VanDerWaalsContact OH-O 3.09Å; R552-D576 IonicContact CZ-OD2 3.36Å; R552-D576 IonicContact NH2-OD2 3.2Å; R552-D576 PolarHBondContact NH2-OD2 2.8Å; F574-D576 HydrophobicContact CE1-CB 4.37Å; D576-F585 VanDerWaalsContact OD1-CZ 3.31Å; D576-F585 WeakPolarHBondContact OD1-CZ 3.35Å; D576-F585 WeakPolarHBondContact OD2-CZ 3.49Å; D576-L589 HydrophobicContact CB-CD1 3.72Å
577	V	66.9	Low	70	Confident	32 Å²	32	65.9 Å²	65.9	19%	0.194	37%	0.366	C	S	.	.			trans	-108.8	130.3	174.6	-161.7	0	0	0	0	109.3	F244 L283 I575	F244-V577 HydrophobicContact CE2-CG2 4.23Å; F244-V577 HydrophobicContact CZ-CG2 3.59Å; L283-V577 HydrophobicContact CD2-CB 3.43Å; L283-V577 VanDerWaalsContact CD2-CB 3.43Å; L283-V577 HydrophobicContact CD2-CG1 3.25Å; L283-V577 HydrophobicContact CD2-CG2 3.84Å; I575-V577 HydrophobicContact CG2-CG2 3.82Å; I575-V577 PolarHBondContact O-N 3.47Å
578	D	56.7	Low	69.2	Low	71 Å²	71	66.5 Å²	66.5	38%	0.38	37%	0.374	S	S	.	.	S	Bend	trans	-33.2	129.6	-173.7	-74.6	-60.1	0	0	0	115.5	R552	R552-D578 VanDerWaalsContact CD-OD1 3.22Å; R552-D578 WeakPolarHBondContact CD-OD1 3.5Å; R552-D578 IonicContact CZ-OD1 2.69Å; R552-D578 IonicContact NE-OD1 3.06Å; R552-D578 PolarHBondContact NE-OD1 3.33Å; R552-D578 IonicContact NH1-OD1 3.7Å; R552-D578 PolarHBondContact NH1-OD1 3.35Å; R552-D578 IonicContact NH2-OD1 3.6Å
579	R	52.8	Low	68.8	Low	141 Å²	141	63.4 Å²	63.4	53%	0.532	36%	0.358	S	S	.	.			trans	79	49	166.2	-46.8	176.3	178.6	-164.8	-3.8	117.5	P286 S290 Y581	P286-R579 HydrophobicContact CB-CB 4.07Å; P286-R579 HydrophobicContact CG-CB 4.36Å; P286-R579 PolarHBondContact O-NH1 3.16Å; S290-R579 VanDerWaalsContact CB-NH1 3.31Å; R579-Y581 PolarHBondContact O-N 3.46Å; R579-Y581 VanDerWaalsContact O-N 3.14Å
580	L	44.2	Very low	68.5	Low	94 Å²	94	61.4 Å²	61.4	49%	0.492	35%	0.354	S	S	.	.	S	Bend	trans	-63.1	114.8	144.6	-71.8	163.7	0	0	0	106.9	F585	L580-F585 HydrophobicContact CB-CD2 3.86Å; L580-F585 HydrophobicContact CB-CE2 3.86Å; L580-F585 HydrophobicContact CD1-CE2 4.19Å
581	Y	37.6	Very low	68.2	Low	121 Å²	121	60 Å²	60	48%	0.475	33%	0.33	S	S	.	.			trans	-20.7	127.2	-177.5	-73.4	-101.3	0	0	0	114.8	E285 R579 G583	E285-Y581 PolarHBondContact OE2-OH 3.1Å; R579-Y581 PolarHBondContact O-N 3.46Å; R579-Y581 VanDerWaalsContact O-N 3.14Å; Y581-G583 PolarHBondContact O-N 2.91Å
582	A	33	Very low	68	Low	116 Å²	116	58.9 Å²	58.9	96%	0.959	33%	0.325	S	S	*	.	S	Bend	trans	-59.5	92.1	177.9	0	0	0	0	0	111.2
583	G	39	Very low	68	Low	58 Å²	58	54.2 Å²	54.2	60%	0.598	31%	0.305	S	S	*	.	S	Bend	trans	169.6	102.9	172.9	0	0	0	0	0	111.2	Y581	Y581-G583 PolarHBondContact O-N 2.91Å
584	N	49	Very low	67.8	Low	108 Å²	108	56.1 Å²	56.1	58%	0.578	31%	0.313	S	S	*	.	S	Bend	trans	69.6	29.7	-172.4	-71.2	-1.5	0	0	0	117.3	D586 S587	N584-D586 PolarHBondContact O-N 3.25Å; N584-S587 PolarHBondContact O-OG 2.6Å
585	F	52.2	Low	67.8	Low	38 Å²	38	54.2 Å²	54.2	17%	0.167	31%	0.305	C	S	.	.	H	α-helix	trans	-63.9	-41.3	-179.1	-175.6	-100.5	0	0	0	113.6	D576 L580 S587 S588 L589 W620	D576-F585 VanDerWaalsContact OD1-CZ 3.31Å; D576-F585 WeakPolarHBondContact OD1-CZ 3.35Å; D576-F585 WeakPolarHBondContact OD2-CZ 3.49Å; L580-F585 HydrophobicContact CB-CD2 3.86Å; L580-F585 HydrophobicContact CB-CE2 3.86Å; L580-F585 HydrophobicContact CD1-CE2 4.19Å; F585-S587 PolarHBondContact O-N 2.71Å; F585-S588 PolarHBondContact O-N 2.85Å; F585-L589 HydrophobicContact CE1-CB 4.34Å; F585-L589 HydrophobicContact CE1-CD2 3.9Å; F585-L589 HydrophobicContact CZ-CB 4.45Å; F585-L589 HydrophobicContact CZ-CD1 4.48Å; F585-L589 HydrophobicContact CZ-CD2 4.22Å; F585-L589 PolarHBondContact O-N 3.47Å; F585-L589 VanDerWaalsContact O-N 3.08Å; F585-W620 AromaticContact CD1-CH2 3.68Å; F585-W620 HydrophobicContact CD1-CH2 3.68Å; F585-W620 AromaticContact CD1-CZ2 3.92Å; F585-W620 HydrophobicContact CD1-CZ2 3.92Å; F585-W620 HydrophobicContact CD1-CZ3 4.37Å; F585-W620 AromaticContact CE1-CH2 3.93Å; F585-W620 HydrophobicContact CE1-CH2 3.93Å; F585-W620 HydrophobicContact CE1-CZ2 4.12Å; F585-W620 HydrophobicContact CE1-CZ3 4.25Å
586	D	57.1	Low	68	Low	77 Å²	77	53.8 Å²	53.8	41%	0.412	30%	0.303	S	S	.	.	H	α-helix	trans	-56.7	-46.4	-174.7	-64	28.6	0	0	0	112.7	N584 L590 W620 R623	N584-D586 PolarHBondContact O-N 3.25Å; D586-L590 WeakPolarHBondContact O-CG 3.35Å; D586-L590 PolarHBondContact O-N 3.31Å; D586-W620 HydrophobicContact CB-CH2 4.25Å; D586-W620 VanDerWaalsContact OD1-CH2 3.28Å; D586-W620 WeakPolarHBondContact OD1-CH2 3.45Å; D586-R623 IonicContact OD2-NH1 2.79Å; D586-R623 PolarHBondContact OD2-NH1 2.7Å
587	S	67.6	Low	68.6	Low	58 Å²	58	59.5 Å²	59.5	41%	0.406	33%	0.328	S	S	.	.	H	α-helix	trans	-72.6	-35.2	-177.1	61.6	0	0	0	0	112.2	N584 F585 K591	N584-S587 PolarHBondContact O-OG 2.6Å; F585-S587 PolarHBondContact O-N 2.71Å; S587-K591 VanDerWaalsContact O-CB 3.31Å; S587-K591 WeakPolarHBondContact O-CB 3.4Å; S587-K591 WeakPolarHBondContact O-CD 3.45Å; S587-K591 WeakPolarHBondContact O-CG 3.43Å; S587-K591 PolarHBondContact O-N 3.09Å
588	S	76.2	Confident	70	Confident	51 Å²	51	59.3 Å²	59.3	36%	0.357	33%	0.325	S	S	.	.	H	α-helix	trans	-69.3	-41.4	179	-176.7	0	0	0	0	112.1	F585 K591 N592	F585-S588 PolarHBondContact O-N 2.85Å; S588-K591 PolarHBondContact O-N 2.79Å; S588-N592 VanDerWaalsContact O-CG 3.29Å; S588-N592 PolarHBondContact O-N 2.85Å; S588-N592 PolarHBondContact O-ND2 2.95Å
589	L	83.4	Confident	71.9	Confident	2 Å²	2	56 Å²	56	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-64.5	-47.2	-179.8	-175.3	66.6	0	0	0	111.6	F547 F574 D576 F585 K591 N592 I593 W620 E624	F547-L589 HydrophobicContact CE2-CD1 3.86Å; F547-L589 HydrophobicContact CZ-CD1 3.81Å; F547-L589 HydrophobicContact CZ-CG 4.48Å; F574-L589 HydrophobicContact CE1-CD1 4.22Å; D576-L589 HydrophobicContact CB-CD1 3.72Å; F585-L589 HydrophobicContact CE1-CB 4.34Å; F585-L589 HydrophobicContact CE1-CD2 3.9Å; F585-L589 HydrophobicContact CZ-CB 4.45Å; F585-L589 HydrophobicContact CZ-CD1 4.48Å; F585-L589 HydrophobicContact CZ-CD2 4.22Å; F585-L589 PolarHBondContact O-N 3.47Å; F585-L589 VanDerWaalsContact O-N 3.08Å; L589-K591 VanDerWaalsContact C-N 3.34Å; L589-K591 PolarHBondContact O-N 3.27Å; L589-N592 WeakPolarHBondContact O-CB 3.42Å; L589-N592 PolarHBondContact O-N 2.97Å; L589-N592 VanDerWaalsContact O-N 3.15Å; L589-I593 PolarHBondContact O-N 3.36Å; L589-W620 HydrophobicContact CD2-CE3 3.59Å; L589-W620 HydrophobicContact CD2-CZ3 3.6Å; L589-E624 HydrophobicContact CD2-CG 4.31Å
590	L	87.5	Confident	74	Confident	51 Å²	51	49.2 Å²	49.2	27%	0.267	28%	0.282	S	S	.	.	H	α-helix	trans	-64.9	-38.3	177.8	-62.6	-179.5	0	0	0	111.4	D586 N592 I593 Q594 C627	D586-L590 WeakPolarHBondContact O-CG 3.35Å; D586-L590 PolarHBondContact O-N 3.31Å; L590-N592 VanDerWaalsContact C-N 3.3Å; L590-N592 PolarHBondContact O-N 2.81Å; L590-I593 HydrophobicContact CD2-CD1 4.29Å; L590-I593 WeakPolarHBondContact O-CB 3.39Å; L590-I593 PolarHBondContact O-N 2.93Å; L590-I593 VanDerWaalsContact O-N 3.12Å; L590-Q594 WeakPolarHBondContact O-CG 3.33Å; L590-Q594 PolarHBondContact O-N 3.26Å; L590-C627 HydrophobicContact CD2-CB 3.82Å
591	K	86.8	Confident	76.6	Confident	34 Å²	34	44.8 Å²	44.8	15%	0.148	26%	0.258	C	S	.	.	H	α-helix	trans	-58.8	-38.4	171.8	-78.5	173.9	176.4	-175	0	112.5	D536 I537 L540 S587 S588 L589 I593 Q594 A595	D536-K591 HydrophobicContact CB-CD 4.24Å; D536-K591 IonicContact OD2-NZ 2.87Å; D536-K591 PolarHBondContact OD2-NZ 3.38Å; I537-K591 HydrophobicContact CG1-CB 4.36Å; I537-K591 HydrophobicContact CG1-CG 4.1Å; L540-K591 HydrophobicContact CD1-CB 3.96Å; S587-K591 VanDerWaalsContact O-CB 3.31Å; S587-K591 WeakPolarHBondContact O-CB 3.4Å; S587-K591 WeakPolarHBondContact O-CD 3.45Å; S587-K591 WeakPolarHBondContact O-CG 3.43Å; S587-K591 PolarHBondContact O-N 3.09Å; S588-K591 PolarHBondContact O-N 2.79Å; L589-K591 VanDerWaalsContact C-N 3.34Å; L589-K591 PolarHBondContact O-N 3.27Å; K591-I593 VanDerWaalsContact C-N 3.32Å; K591-I593 PolarHBondContact O-N 3.04Å; K591-Q594 PolarHBondContact O-N 3.07Å; K591-A595 VanDerWaalsContact O-CB 3.3Å; K591-A595 WeakPolarHBondContact O-CB 3.36Å; K591-A595 PolarHBondContact O-N 3.43Å
592	N	89.7	Confident	79.4	Confident	8 Å²	8	39.1 Å²	39.1	4%	0.043	24%	0.236	C	C	.	.	H	α-helix	trans	-63.5	-37.8	175.4	-67.5	-31.8	0	0	0	112.1	L540 I544 F547 F574 S588 L589 L590 A595 A596	L540-N592 WeakPolarHBondContact CD2-OD1 3.31Å; I544-N592 HydrophobicContact CD1-CB 3.88Å; I544-N592 WeakPolarHBondContact CD1-OD1 3.38Å; F547-N592 HydrophobicContact CD2-CB 4.25Å; F547-N592 HydrophobicContact CE2-CB 4.24Å; F574-N592 HydrophobicContact CD1-CB 4.24Å; F574-N592 HydrophobicContact CE1-CB 4.18Å; F574-N592 HydrophobicContact CZ-CB 4.48Å; F574-N592 WeakPolarHBondContact CZ-ND2 3.36Å; S588-N592 VanDerWaalsContact O-CG 3.29Å; S588-N592 PolarHBondContact O-N 2.85Å; S588-N592 PolarHBondContact O-ND2 2.95Å; L589-N592 WeakPolarHBondContact O-CB 3.42Å; L589-N592 PolarHBondContact O-N 2.97Å; L589-N592 VanDerWaalsContact O-N 3.15Å; L590-N592 VanDerWaalsContact C-N 3.3Å; L590-N592 PolarHBondContact O-N 2.81Å; N592-A595 PolarHBondContact O-N 3.13Å; N592-A596 WeakPolarHBondContact O-CB 3.22Å; N592-A596 PolarHBondContact O-N 3.33Å
593	I	92.3	Very high	82.5	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-67	-45.7	174.3	-62.8	170.3	0	0	0	110.2	F547 L589 L590 K591 A595 A596 F599 E624 C627 A628 K633	F547-I593 HydrophobicContact CD1-CD1 4.48Å; F547-I593 HydrophobicContact CD1-CG1 3.92Å; F547-I593 HydrophobicContact CD2-CG1 3.63Å; F547-I593 HydrophobicContact CE1-CD1 4.03Å; F547-I593 HydrophobicContact CE1-CG1 3.84Å; F547-I593 HydrophobicContact CE2-CD1 4.27Å; F547-I593 HydrophobicContact CE2-CG1 3.55Å; F547-I593 HydrophobicContact CG-CG1 3.82Å; F547-I593 HydrophobicContact CZ-CD1 3.92Å; F547-I593 HydrophobicContact CZ-CG1 3.66Å; L589-I593 PolarHBondContact O-N 3.36Å; L590-I593 HydrophobicContact CD2-CD1 4.29Å; L590-I593 WeakPolarHBondContact O-CB 3.39Å; L590-I593 PolarHBondContact O-N 2.93Å; L590-I593 VanDerWaalsContact O-N 3.12Å; K591-I593 VanDerWaalsContact C-N 3.32Å; K591-I593 PolarHBondContact O-N 3.04Å; I593-A595 PolarHBondContact O-N 3.11Å; I593-A596 PolarHBondContact O-N 3.04Å; I593-F599 HydrophobicContact CD1-CE2 4.14Å; I593-F599 HydrophobicContact CG1-CE2 4.28Å; I593-F599 HydrophobicContact CG2-CD2 4.07Å; I593-F599 HydrophobicContact CG2-CE2 4.27Å; I593-E624 HydrophobicContact CD1-CB 3.71Å; I593-E624 HydrophobicContact CD1-CG 3.79Å; I593-C627 HydrophobicContact CD1-CB 4.43Å; I593-C627 HydrophobicContact CG2-CB 4.34Å; I593-A628 HydrophobicContact CG2-CB 4.11Å; I593-K633 WeakPolarHBondContact O-CE 3.48Å
594	Q	90.8	Very high	85.2	Confident	55 Å²	55	31 Å²	31	26%	0.257	16%	0.163	S	C	.	.	H	α-helix	trans	-62.5	-31	176.9	-66.8	177.6	21.1	0	0	112.6	I537 L590 K591 K633	I537-Q594 HydrophobicContact CD1-CB 4.38Å; I537-Q594 HydrophobicContact CG2-CB 4.42Å; L590-Q594 WeakPolarHBondContact O-CG 3.33Å; L590-Q594 PolarHBondContact O-N 3.26Å; K591-Q594 PolarHBondContact O-N 3.07Å; Q594-K633 PolarHBondContact O-NZ 3.49Å
595	A	90.3	Very high	87.4	Confident	6 Å²	6	28.3 Å²	28.3	5%	0.05	15%	0.151	C	C	.	.	H	α-helix	trans	-76.5	-34.4	175.4	0	0	0	0	0	113.3	I537 L540 K591 N592 I593	I537-A595 HydrophobicContact CG2-CB 4.28Å; L540-A595 HydrophobicContact CB-CB 3.47Å; L540-A595 VanDerWaalsContact CB-CB 3.47Å; K591-A595 VanDerWaalsContact O-CB 3.3Å; K591-A595 WeakPolarHBondContact O-CB 3.36Å; K591-A595 PolarHBondContact O-N 3.43Å; N592-A595 PolarHBondContact O-N 3.13Å; I593-A595 PolarHBondContact O-N 3.11Å
596	A	93.8	Very high	89.4	Confident	2 Å²	2	34.7 Å²	34.7	2%	0.017	18%	0.175	C	C	.	.			trans	-66.8	150	-179.6	0	0	0	0	0	112.2	I544 F547 N592 I593 K633	I544-A596 HydrophobicContact CG2-CB 3.79Å; F547-A596 HydrophobicContact CB-CB 3.79Å; N592-A596 WeakPolarHBondContact O-CB 3.22Å; N592-A596 PolarHBondContact O-N 3.33Å; I593-A596 PolarHBondContact O-N 3.04Å; A596-K633 VanDerWaalsContact O-CD 3.31Å; A596-K633 WeakPolarHBondContact O-CD 3.44Å; A596-K633 WeakPolarHBondContact O-CE 3.42Å; A596-K633 PolarHBondContact O-NZ 2.79Å
597	K	93.4	Very high	91.2	Very high	126 Å²	126	31.1 Å²	31.1	55%	0.548	16%	0.156	S	C	.	.	S	Bend	trans	-89.6	-38.3	174	-65.2	174.2	-174.7	161.9	0	111.6	D545 N634	D545-K597 PolarHBondContact O-N 3.32Å; D545-K597 IonicContact OD1-NZ 3.12Å; K597-N634 PolarHBondContact O-N 3.26Å
598	H	96.6	Very high	92.5	Very high	27 Å²	27	28.6 Å²	28.6	13%	0.125	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	144.6	-177.2	-49.8	-77.6	0	0	0	110.2	D545 I546 F547 N634 I682	D545-H598 PolarHBondContact O-N 3.01Å; I546-H598 WeakPolarHBondContact CA-O 3.03Å; I546-H598 HydrophobicContact CG1-CB 4.16Å; I546-H598 HydrophobicContact CG2-CB 4.36Å; F547-H598 PolarHBondContact N-O 3.06Å; H598-N634 PolarHBondContact ND1-ND2 2.72Å; H598-N634 VanDerWaalsContact ND1-ND2 3.13Å; H598-I682 PolarHBondContact CE1-O 2.59Å
599	F	97	Very high	93.4	Very high	1 Å²	1	30.3 Å²	30.3	0%	0.004	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	108.1	177.6	-174.6	-85.6	0	0	0	108.9	F547 I593 L601 E624 V625 A628 K633 N634 L635 I636	F547-F599 HydrophobicContact CB-CD2 4.23Å; F547-F599 AromaticContact CD1-CD2 3.65Å; F547-F599 HydrophobicContact CD1-CD2 3.65Å; F547-F599 AromaticContact CD1-CE2 3.44Å; F547-F599 HydrophobicContact CD1-CE2 3.44Å; F547-F599 VanDerWaalsContact CD1-CE2 3.44Å; F547-F599 HydrophobicContact CD1-CZ 4.38Å; F547-F599 HydrophobicContact CE1-CD2 4.44Å; F547-F599 AromaticContact CE1-CE2 3.79Å; F547-F599 HydrophobicContact CE1-CE2 3.79Å; F547-F599 HydrophobicContact CG-CD2 4.26Å; F547-F599 HydrophobicContact CG-CE2 4.4Å; F547-F599 CarbonylContact O-C 3.56Å; F547-F599 WeakPolarHBondContact O-CA 3.45Å; I593-F599 HydrophobicContact CD1-CE2 4.14Å; I593-F599 HydrophobicContact CG1-CE2 4.28Å; I593-F599 HydrophobicContact CG2-CD2 4.07Å; I593-F599 HydrophobicContact CG2-CE2 4.27Å; F599-L601 HydrophobicContact CD1-CB 4.44Å; F599-L601 HydrophobicContact CE1-CB 4.1Å; F599-L601 HydrophobicContact CE1-CD1 4.4Å; F599-E624 HydrophobicContact CE2-CB 4.16Å; F599-E624 HydrophobicContact CZ-CB 3.98Å; F599-V625 HydrophobicContact CE1-CG2 4.04Å; F599-V625 HydrophobicContact CZ-CG2 4.17Å; F599-A628 HydrophobicContact CB-CB 4.05Å; F599-A628 HydrophobicContact CD1-CB 3.96Å; F599-A628 HydrophobicContact CD2-CB 3.51Å; F599-A628 HydrophobicContact CE1-CB 4.23Å; F599-A628 HydrophobicContact CE2-CB 3.81Å; F599-A628 HydrophobicContact CG-CB 3.56Å; F599-A628 HydrophobicContact CZ-CB 4.14Å; F599-K633 HydrophobicContact CB-CB 4.06Å; F599-N634 PolarHBondContact N-O 3.3Å; F599-L635 HydrophobicContact CD1-CD1 4.11Å; F599-L635 HydrophobicContact CD1-CG 4.02Å; F599-L635 HydrophobicContact CE1-CD1 4.45Å; F599-L635 CarbonylContact O-C 3.4Å; F599-L635 VanDerWaalsContact O-CA 3.28Å; F599-L635 WeakPolarHBondContact O-CA 3.4Å; F599-I636 PolarHBondContact O-N 2.67Å
600	V	97.6	Very high	93.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	120.9	178.7	174.6	0	0	0	0	108.7	I546 F547 I548 S549 V602 I636 V638	I546-V600 HydrophobicContact CG2-CB 4.41Å; I546-V600 HydrophobicContact CG2-CG2 3.68Å; F547-V600 PolarHBondContact O-N 3.39Å; I548-V600 CarbonylContact C-O 3.56Å; I548-V600 WeakPolarHBondContact CA-O 3.48Å; I548-V600 HydrophobicContact CG1-CB 4.19Å; S549-V600 PolarHBondContact N-O 2.98Å; V600-V602 HydrophobicContact CG1-CG2 4.44Å; V600-I636 WeakPolarHBondContact CA-O 3.33Å; V600-V638 HydrophobicContact CG1-CG2 3.75Å
601	L	97.7	Very high	94.2	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	109.7	179.5	179.4	61.2	0	0	0	110.2	F599 L603 V621 V625 I636 P637 V638 I658	F599-L601 HydrophobicContact CD1-CB 4.44Å; F599-L601 HydrophobicContact CE1-CB 4.1Å; F599-L601 HydrophobicContact CE1-CD1 4.4Å; L601-L603 HydrophobicContact CD1-CD2 4.49Å; L601-L603 HydrophobicContact CD2-CD2 3.97Å; L601-L603 HydrophobicContact CD2-CG 4.35Å; L601-L603 HydrophobicContact CG-CD2 3.92Å; L601-L603 HydrophobicContact CG-CG 4.11Å; L601-L603 PolarHBondContact O-N 3.35Å; L601-V621 HydrophobicContact CD1-CG1 4.16Å; L601-V625 HydrophobicContact CD1-CG2 3.9Å; L601-V625 HydrophobicContact CD2-CG2 3.98Å; L601-I636 PolarHBondContact N-O 3.25Å; L601-P637 CarbonylContact O-C 3.58Å; L601-P637 WeakPolarHBondContact O-CA 3.17Å; L601-V638 PolarHBondContact O-N 2.79Å; L601-I658 HydrophobicContact CD2-CD1 4.15Å; L601-I658 HydrophobicContact CD2-CG2 4.35Å
602	V	97.5	Very high	94.5	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	110.3	-179.8	-178.1	0	0	0	0	110.4	I548 S549 L558 A559 I562 V600 T604	I548-V602 HydrophobicContact CG2-CG2 3.74Å; S549-V602 PolarHBondContact O-N 3.07Å; L558-V602 HydrophobicContact CB-CG1 4.14Å; L558-V602 HydrophobicContact CD2-CG1 3.72Å; L558-V602 HydrophobicContact CG-CG1 3.88Å; A559-V602 HydrophobicContact CB-CG2 4.1Å; I562-V602 HydrophobicContact CD1-CG2 4.01Å; V600-V602 HydrophobicContact CG1-CG2 4.44Å; V602-T604 HydrophobicContact CG1-CG2 4.24Å
603	L	97.3	Very high	94.4	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	104.8	-177.9	-64.7	174.4	0	0	0	110	L601 S607 L608 P637 V638 F639 D640 F643 W645	L601-L603 HydrophobicContact CD1-CD2 4.49Å; L601-L603 HydrophobicContact CD2-CD2 3.97Å; L601-L603 HydrophobicContact CD2-CG 4.35Å; L601-L603 HydrophobicContact CG-CD2 3.92Å; L601-L603 HydrophobicContact CG-CG 4.11Å; L601-L603 PolarHBondContact O-N 3.35Å; L603-S607 WeakPolarHBondContact CA-OG 3.36Å; L603-L608 HydrophobicContact CD2-CD1 4.08Å; L603-L608 HydrophobicContact CD2-CD2 3.88Å; L603-L608 HydrophobicContact CD2-CG 3.92Å; L603-P637 HydrophobicContact CD1-CB 4.02Å; L603-V638 PolarHBondContact N-O 2.86Å; L603-F639 HydrophobicContact CB-CD1 4.18Å; L603-F639 HydrophobicContact CD1-CD1 3.71Å; L603-F639 HydrophobicContact CD1-CE1 3.44Å; L603-F639 VanDerWaalsContact CD1-CE1 3.44Å; L603-F639 HydrophobicContact CD1-CZ 4.47Å; L603-D640 WeakPolarHBondContact O-CB 3.37Å; L603-D640 PolarHBondContact O-N 3.32Å; L603-F643 HydrophobicContact CB-CD1 3.99Å; L603-F643 HydrophobicContact CB-CD2 3.82Å; L603-F643 HydrophobicContact CB-CE1 4Å; L603-F643 HydrophobicContact CB-CE2 3.83Å; L603-F643 HydrophobicContact CB-CG 3.88Å; L603-F643 HydrophobicContact CB-CZ 3.91Å; L603-F643 HydrophobicContact CD1-CE1 3.89Å; L603-F643 HydrophobicContact CD1-CZ 3.94Å; L603-F643 HydrophobicContact CD2-CE2 4.15Å; L603-F643 HydrophobicContact CD2-CZ 4.08Å; L603-F643 HydrophobicContact CG-CE1 4.44Å; L603-F643 HydrophobicContact CG-CE2 4.42Å; L603-F643 HydrophobicContact CG-CZ 4.19Å; L603-F643 WeakPolarHBondContact O-CB 3.44Å; L603-W645 HydrophobicContact CD1-CH2 3.79Å; L603-W645 HydrophobicContact CD1-CZ2 4.1Å; L603-W645 HydrophobicContact CD1-CZ3 4.39Å
604	T	95.6	Very high	94.3	Very high	4 Å²	4	39.6 Å²	39.6	3%	0.025	20%	0.195	C	C	.	.			trans	-113.3	164	177.4	45.3	0	0	0	0	109.6	T554 G555 L558 V602 R606 S607 D640 F643	T554-T604 WeakPolarHBondContact CB-OG1 3.42Å; T554-T604 PolarHBondContact OG1-OG1 3.43Å; G555-T604 PolarHBondContact N-OG1 3.47Å; L558-T604 HydrophobicContact CD2-CG2 4.25Å; V602-T604 HydrophobicContact CG1-CG2 4.24Å; T604-R606 PolarHBondContact O-N 3.36Å; T604-R606 VanDerWaalsContact O-N 3.15Å; T604-S607 PolarHBondContact N-OG 3.08Å; T604-S607 WeakPolarHBondContact O-CB 3.48Å; T604-S607 PolarHBondContact O-N 2.93Å; T604-S607 PolarHBondContact O-OG 3.4Å; T604-D640 HydrophobicContact CG2-CB 3.91Å; T604-F643 WeakPolarHBondContact O-CD2 3.4Å
605	P	95.3	Very high	94.2	Very high	50 Å²	50	44 Å²	44	33%	0.325	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.4	127.1	175.1	-28	33.8	0	0	0	111.5	T554 S607 M642	T554-P605 WeakPolarHBondContact CG2-O 3.34Å; P605-S607 VanDerWaalsContact C-N 3.29Å; P605-S607 PolarHBondContact O-N 3.14Å; P605-M642 HydrophobicContact CG-CB 3.59Å
606	R	93.4	Very high	94.1	Very high	173 Å²	173	51 Å²	51	65%	0.653	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.2	16.5	-178	-52.8	-179.7	-66.2	179.9	1	116.2	T604 L608 D609	T604-R606 PolarHBondContact O-N 3.36Å; T604-R606 VanDerWaalsContact O-N 3.15Å; R606-L608 VanDerWaalsContact C-N 3.26Å; R606-L608 PolarHBondContact O-N 3.05Å; R606-D609 WeakPolarHBondContact CA-OD1 3.32Å; R606-D609 HydrophobicContact CB-CB 4.49Å; R606-D609 WeakPolarHBondContact CB-OD2 3.37Å; R606-D609 VanDerWaalsContact CG-OD2 3.22Å; R606-D609 WeakPolarHBondContact CG-OD2 3.28Å; R606-D609 PolarHBondContact O-N 3.08Å
607	S	95.3	Very high	93.8	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.014	25%	0.251	C	S	.	.	S	Bend	trans	-65.8	-29.7	-179.5	61.8	0	0	0	0	113.2	R551 L603 T604 P605	R551-S607 PolarHBondContact NE-O 2.94Å; R551-S607 PolarHBondContact NH2-O 3.26Å; L603-S607 WeakPolarHBondContact CA-OG 3.36Å; T604-S607 PolarHBondContact N-OG 3.08Å; T604-S607 WeakPolarHBondContact O-CB 3.48Å; T604-S607 PolarHBondContact O-N 2.93Å; T604-S607 PolarHBondContact O-OG 3.4Å; P605-S607 VanDerWaalsContact C-N 3.29Å; P605-S607 PolarHBondContact O-N 3.14Å
608	L	95.4	Very high	93.6	Very high	5 Å²	5	50.7 Å²	50.7	3%	0.026	25%	0.249	C	C	.	.	S	Bend	trans	-99.6	-6.2	-178.1	-62.4	-179.2	0	0	0	114.3	L603 R606 R610 C611 L612 F643 W645 P646 I658	L603-L608 HydrophobicContact CD2-CD1 4.08Å; L603-L608 HydrophobicContact CD2-CD2 3.88Å; L603-L608 HydrophobicContact CD2-CG 3.92Å; R606-L608 VanDerWaalsContact C-N 3.26Å; R606-L608 PolarHBondContact O-N 3.05Å; L608-R610 PolarHBondContact O-N 3.38Å; L608-R610 VanDerWaalsContact O-N 3.1Å; L608-C611 WeakPolarHBondContact O-CA 3.15Å; L608-C611 WeakPolarHBondContact O-CB 3.33Å; L608-C611 PolarHBondContact O-N 3.31Å; L608-L612 PolarHBondContact O-N 2.99Å; L608-F643 HydrophobicContact CD1-CE2 4.33Å; L608-F643 HydrophobicContact CD1-CZ 4Å; L608-F643 HydrophobicContact CG-CE2 4.45Å; L608-W645 HydrophobicContact CD1-CE3 4.13Å; L608-W645 HydrophobicContact CD1-CZ3 3.81Å; L608-P646 HydrophobicContact CD1-CG 4.35Å; L608-I658 HydrophobicContact CD1-CD1 4.3Å; L608-I658 HydrophobicContact CD2-CD1 4.41Å
609	D	94.4	Very high	93.3	Very high	86 Å²	86	49.7 Å²	49.7	46%	0.46	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-53.2	-38.9	-173.3	-72.6	14.3	0	0	0	113.2	R606 C611 L612	R606-D609 WeakPolarHBondContact CA-OD1 3.32Å; R606-D609 HydrophobicContact CB-CB 4.49Å; R606-D609 WeakPolarHBondContact CB-OD2 3.37Å; R606-D609 VanDerWaalsContact CG-OD2 3.22Å; R606-D609 WeakPolarHBondContact CG-OD2 3.28Å; R606-D609 PolarHBondContact O-N 3.08Å; D609-C611 VanDerWaalsContact C-N 3.31Å; D609-C611 PolarHBondContact O-N 2.66Å; D609-L612 PolarHBondContact O-N 3.25Å
610	R	93.8	Very high	93	Very high	161 Å²	161	52.8 Å²	52.8	61%	0.608	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-77	-14.5	178.5	-70.4	175.4	50.3	158.3	4	114.3	L608 D619	L608-R610 PolarHBondContact O-N 3.38Å; L608-R610 VanDerWaalsContact O-N 3.1Å; R610-D619 HydrophobicContact CB-CB 4.45Å; R610-D619 WeakPolarHBondContact CB-OD1 3.45Å; R610-D619 IonicContact CZ-OD1 3.84Å; R610-D619 VanDerWaalsContact CZ-OD1 3.24Å; R610-D619 IonicContact NE-OD1 3.52Å; R610-D619 PolarHBondContact NE-OD1 3.24Å; R610-D619 IonicContact NH2-OD1 2.76Å; R610-D619 PolarHBondContact NH2-OD1 2.97Å; R610-D619 VanDerWaalsContact NH2-OD1 3.12Å
611	C	93.6	Very high	92.8	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.014	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-86.9	-17.4	173.5	-51.9	0	0	0	0	111.4	R551 L608 D609 G613 D614 D619 H622 P652 I655	R551-C611 PolarHBondContact NH2-SG 3.1Å; L608-C611 WeakPolarHBondContact O-CA 3.15Å; L608-C611 WeakPolarHBondContact O-CB 3.33Å; L608-C611 PolarHBondContact O-N 3.31Å; D609-C611 VanDerWaalsContact C-N 3.31Å; D609-C611 PolarHBondContact O-N 2.66Å; C611-G613 PolarHBondContact O-N 3.32Å; C611-D614 WeakPolarHBondContact O-CB 3.41Å; C611-D614 PolarHBondContact O-N 3.37Å; C611-D619 PolarHBondContact SG-OD2 2.81Å; C611-H622 HydrophobicContact CB-CB 4.45Å; C611-P652 WeakPolarHBondContact O-CD 3.45Å; C611-P652 WeakPolarHBondContact O-CG 3.4Å; C611-I655 HydrophobicContact CB-CD1 4.13Å
612	L	92.9	Very high	92.6	Very high	54 Å²	54	53.1 Å²	53.1	28%	0.283	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	120.3	-178.1	-56.6	-178.1	0	0	0	110.1	L608 D609 D614 P646 Q650 I651	L608-L612 PolarHBondContact O-N 2.99Å; D609-L612 PolarHBondContact O-N 3.25Å; L612-D614 PolarHBondContact O-N 3.47Å; L612-P646 HydrophobicContact CD1-CB 4.07Å; L612-P646 HydrophobicContact CD2-CB 3.81Å; L612-P646 HydrophobicContact CD2-CG 3.72Å; L612-Q650 WeakPolarHBondContact CA-O 3.42Å; L612-Q650 HydrophobicContact CD2-CB 4.06Å; L612-I651 HydrophobicContact CD2-CG1 4.14Å
613	G	87.7	Confident	92.4	Very high	54 Å²	54	56.2 Å²	56.2	56%	0.557	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	12.9	-175.9	0	0	0	0	0	115.4	C611 E615 Q650	C611-G613 PolarHBondContact O-N 3.32Å; G613-E615 PolarHBondContact O-N 3.26Å; G613-Q650 PolarHBondContact N-O 3.24Å
614	D	91.5	Very high	92.2	Very high	21 Å²	21	56.6 Å²	56.6	11%	0.112	27%	0.271	C	S	.	.			trans	-78.8	60.8	178.3	-178.5	38.8	0	0	0	111.9	C611 L612 E616 C617 Q618 D619 H622	C611-D614 WeakPolarHBondContact O-CB 3.41Å; C611-D614 PolarHBondContact O-N 3.37Å; L612-D614 PolarHBondContact O-N 3.47Å; D614-E616 PolarHBondContact O-N 3.12Å; D614-C617 PolarHBondContact O-N 3.37Å; D614-C617 WeakPolarHBondContact OD2-CA 3.29Å; D614-Q618 PolarHBondContact OD1-N 3.35Å; D614-Q618 PolarHBondContact OD2-N 3Å; D614-D619 WeakPolarHBondContact OD2-CB 3.44Å; D614-D619 PolarHBondContact OD2-N 3.24Å; D614-H622 PolarHBondContact O-CE1 2.88Å; D614-H622 PolarHBondContact O-ND1 3.36Å; D614-H622 IonicContact OD2-CE1 3.81Å; D614-H622 IonicContact OD2-CG 3.84Å; D614-H622 IonicContact OD2-ND1 2.71Å; D614-H622 PolarHBondContact OD2-ND1 3.22Å
615	E	87.6	Confident	92.3	Very high	147 Å²	147	56.4 Å²	56.4	69%	0.687	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-23.5	-177.5	-61.1	-64.3	155.4	0	0	113	G613 C617	G613-E615 PolarHBondContact O-N 3.26Å; E615-C617 VanDerWaalsContact C-N 3.32Å
616	E	88	Confident	92.2	Very high	153 Å²	153	56.9 Å²	56.9	72%	0.715	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-1.3	177.4	-67.5	-174.1	-175.7	0	0	113.8	D614 Q618	D614-E616 PolarHBondContact O-N 3.12Å; E616-Q618 VanDerWaalsContact C-N 3.33Å; E616-Q618 HydrophobicContact CB-CG 3.85Å; E616-Q618 PolarHBondContact O-N 2.88Å; E616-Q618 PolarHBondContact OE2-NE2 3.07Å; E616-Q618 VanDerWaalsContact OE2-NE2 3.08Å
617	C	88.3	Confident	92.2	Very high	16 Å²	16	48.9 Å²	48.9	11%	0.108	24%	0.238	C	C	.	.			trans	55	45.2	-178.9	-154.4	0	0	0	0	112.6	D614 E615 R623	D614-C617 PolarHBondContact O-N 3.37Å; D614-C617 WeakPolarHBondContact OD2-CA 3.29Å; E615-C617 VanDerWaalsContact C-N 3.32Å; C617-R623 WeakPolarHBondContact O-CG 3.35Å; C617-R623 PolarHBondContact O-NE 3.2Å; C617-R623 VanDerWaalsContact SG-CG 3.56Å
618	Q	88.2	Confident	92.2	Very high	106 Å²	106	48.9 Å²	48.9	50%	0.495	24%	0.238	S	C	.	.			trans	-82.6	-27.2	179.1	-60.2	-65.1	-9.9	0	0	112.1	D614 E616	D614-Q618 PolarHBondContact OD1-N 3.35Å; D614-Q618 PolarHBondContact OD2-N 3Å; E616-Q618 VanDerWaalsContact C-N 3.33Å; E616-Q618 HydrophobicContact CB-CG 3.85Å; E616-Q618 PolarHBondContact O-N 2.88Å; E616-Q618 PolarHBondContact OE2-NE2 3.07Å; E616-Q618 VanDerWaalsContact OE2-NE2 3.08Å
619	D	90.9	Very high	92.2	Very high	5 Å²	5	51 Å²	51	3%	0.027	25%	0.249	C	C	.	.	S	Bend	trans	-76.7	135.3	179.8	-168	71.8	0	0	0	112	R551 R610 C611 D614 V621 H622 R623	R551-D619 IonicContact CZ-OD1 2.69Å; R551-D619 IonicContact CZ-OD2 3.53Å; R551-D619 VanDerWaalsContact CZ-OD2 3.27Å; R551-D619 VanDerWaalsContact NH1-CG 3.27Å; R551-D619 IonicContact NH1-OD1 3.78Å; R551-D619 PolarHBondContact NH1-OD1 2.96Å; R551-D619 IonicContact NH1-OD2 3.28Å; R551-D619 PolarHBondContact NH1-OD2 3.48Å; R551-D619 IonicContact NH2-OD1 3.54Å; R551-D619 IonicContact NH2-OD2 3.7Å; R551-D619 PolarHBondContact NH2-OD2 3.17Å; R610-D619 HydrophobicContact CB-CB 4.45Å; R610-D619 WeakPolarHBondContact CB-OD1 3.45Å; R610-D619 IonicContact CZ-OD1 3.84Å; R610-D619 VanDerWaalsContact CZ-OD1 3.24Å; R610-D619 IonicContact NE-OD1 3.52Å; R610-D619 PolarHBondContact NE-OD1 3.24Å; R610-D619 IonicContact NH2-OD1 2.76Å; R610-D619 PolarHBondContact NH2-OD1 2.97Å; R610-D619 VanDerWaalsContact NH2-OD1 3.12Å; C611-D619 PolarHBondContact SG-OD2 2.81Å; D614-D619 WeakPolarHBondContact OD2-CB 3.44Å; D614-D619 PolarHBondContact OD2-N 3.24Å; D619-V621 PolarHBondContact O-N 3.43Å; D619-V621 WeakPolarHBondContact OD2-CB 3.45Å; D619-V621 PolarHBondContact OD2-N 3.43Å; D619-V621 VanDerWaalsContact OD2-N 3.08Å; D619-H622 HydrophobicContact CB-CB 4.08Å; D619-H622 VanDerWaalsContact O-CB 3.32Å; D619-H622 WeakPolarHBondContact O-CB 3.44Å; D619-H622 PolarHBondContact O-N 3.44Å; D619-H622 VanDerWaalsContact O-N 3.16Å; D619-R623 PolarHBondContact O-N 3.47Å
620	W	90.3	Very high	92.2	Very high	66 Å²	66	52.6 Å²	52.6	25%	0.25	25%	0.254	C	S	.	.	H	α-helix	trans	-61	-43.7	-179.7	-78.4	105.3	0	0	0	112.9	F585 D586 L589 H622 R623 E624	F585-W620 AromaticContact CD1-CH2 3.68Å; F585-W620 HydrophobicContact CD1-CH2 3.68Å; F585-W620 AromaticContact CD1-CZ2 3.92Å; F585-W620 HydrophobicContact CD1-CZ2 3.92Å; F585-W620 HydrophobicContact CD1-CZ3 4.37Å; F585-W620 AromaticContact CE1-CH2 3.93Å; F585-W620 HydrophobicContact CE1-CH2 3.93Å; F585-W620 HydrophobicContact CE1-CZ2 4.12Å; F585-W620 HydrophobicContact CE1-CZ3 4.25Å; D586-W620 HydrophobicContact CB-CH2 4.25Å; D586-W620 VanDerWaalsContact OD1-CH2 3.28Å; D586-W620 WeakPolarHBondContact OD1-CH2 3.45Å; L589-W620 HydrophobicContact CD2-CE3 3.59Å; L589-W620 HydrophobicContact CD2-CZ3 3.6Å; W620-H622 PolarHBondContact O-N 3.4Å; W620-R623 PolarHBondContact O-N 2.78Å; W620-R623 VanDerWaalsContact O-N 3.15Å; W620-E624 VanDerWaalsContact O-CG 3.22Å; W620-E624 WeakPolarHBondContact O-CG 3.35Å; W620-E624 PolarHBondContact O-N 2.62Å
621	V	93.1	Very high	92.1	Very high	7 Å²	7	48.7 Å²	48.7	4%	0.042	24%	0.242	C	C	.	.	H	α-helix	trans	-63.6	-35.5	179.3	178.3	0	0	0	0	110.1	L601 D619 V625	L601-V621 HydrophobicContact CD1-CG1 4.16Å; D619-V621 PolarHBondContact O-N 3.43Å; D619-V621 WeakPolarHBondContact OD2-CB 3.45Å; D619-V621 PolarHBondContact OD2-N 3.43Å; D619-V621 VanDerWaalsContact OD2-N 3.08Å; V621-V625 HydrophobicContact CG1-CG2 4.29Å; V621-V625 WeakPolarHBondContact O-CB 3.17Å; V621-V625 WeakPolarHBondContact O-CG2 3.28Å; V621-V625 PolarHBondContact O-N 3.35Å
622	H	94.2	Very high	92	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-61	-54.1	172.7	-173.8	179.6	0	0	0	111	C611 D614 D619 W620 E624 V625 K626 D654 I655	C611-H622 HydrophobicContact CB-CB 4.45Å; D614-H622 PolarHBondContact O-CE1 2.88Å; D614-H622 PolarHBondContact O-ND1 3.36Å; D614-H622 IonicContact OD2-CE1 3.81Å; D614-H622 IonicContact OD2-CG 3.84Å; D614-H622 IonicContact OD2-ND1 2.71Å; D614-H622 PolarHBondContact OD2-ND1 3.22Å; D619-H622 HydrophobicContact CB-CB 4.08Å; D619-H622 VanDerWaalsContact O-CB 3.32Å; D619-H622 WeakPolarHBondContact O-CB 3.44Å; D619-H622 PolarHBondContact O-N 3.44Å; D619-H622 VanDerWaalsContact O-N 3.16Å; W620-H622 PolarHBondContact O-N 3.4Å; H622-E624 VanDerWaalsContact C-N 3.31Å; H622-E624 PolarHBondContact O-N 2.84Å; H622-V625 PolarHBondContact O-N 3.39Å; H622-K626 WeakPolarHBondContact O-CB 3.25Å; H622-K626 PolarHBondContact O-N 2.72Å; H622-D654 IonicContact CE1-OD1 2.77Å; H622-D654 IonicContact NE2-OD1 3.29Å; H622-D654 PolarHBondContact NE2-OD1 2.98Å; H622-D654 IonicContact NE2-OD2 2.88Å; H622-D654 PolarHBondContact NE2-OD2 2.95Å; H622-I655 VanDerWaalsContact CD2-CG2 3.45Å; H622-I655 WeakPolarHBondContact CD2-CG2 3.5Å
623	R	93.1	Very high	92.1	Very high	67 Å²	67	55.1 Å²	55.1	25%	0.253	28%	0.275	S	S	.	.	H	α-helix	trans	-55.2	-44.2	178.2	-69.1	-178.9	180	-165.8	0.8	113	D586 C617 D619 W620 C627	D586-R623 IonicContact OD2-NH1 2.79Å; D586-R623 PolarHBondContact OD2-NH1 2.7Å; C617-R623 WeakPolarHBondContact O-CG 3.35Å; C617-R623 PolarHBondContact O-NE 3.2Å; C617-R623 VanDerWaalsContact SG-CG 3.56Å; D619-R623 PolarHBondContact O-N 3.47Å; W620-R623 PolarHBondContact O-N 2.78Å; W620-R623 VanDerWaalsContact O-N 3.15Å; R623-C627 WeakPolarHBondContact O-CB 3.48Å; R623-C627 PolarHBondContact O-N 3.37Å
624	E	94.4	Very high	92.4	Very high	8 Å²	8	54.1 Å²	54.1	4%	0.037	26%	0.256	C	S	.	.	H	α-helix	trans	-64.3	-47.6	-179.4	-67	176	161.8	0	0	111.8	F547 S549 L589 I593 F599 W620 H622 C627 A628	F547-E624 HydrophobicContact CE1-CG 4.43Å; F547-E624 HydrophobicContact CZ-CG 4.47Å; S549-E624 WeakPolarHBondContact CB-OE2 3.5Å; S549-E624 PolarHBondContact OG-OE2 2.98Å; L589-E624 HydrophobicContact CD2-CG 4.31Å; I593-E624 HydrophobicContact CD1-CB 3.71Å; I593-E624 HydrophobicContact CD1-CG 3.79Å; F599-E624 HydrophobicContact CE2-CB 4.16Å; F599-E624 HydrophobicContact CZ-CB 3.98Å; W620-E624 VanDerWaalsContact O-CG 3.22Å; W620-E624 WeakPolarHBondContact O-CG 3.35Å; W620-E624 PolarHBondContact O-N 2.62Å; H622-E624 VanDerWaalsContact C-N 3.31Å; H622-E624 PolarHBondContact O-N 2.84Å; E624-C627 PolarHBondContact O-N 2.9Å; E624-A628 WeakPolarHBondContact O-CB 3.41Å; E624-A628 PolarHBondContact O-N 3.38Å
625	V	95.8	Very high	92.7	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.006	25%	0.254	C	S	.	.	H	α-helix	trans	-64.8	-43	179.3	173.4	0	0	0	0	110.7	F599 L601 V621 H622 A628 L629 L635 I655 I658	F599-V625 HydrophobicContact CE1-CG2 4.04Å; F599-V625 HydrophobicContact CZ-CG2 4.17Å; L601-V625 HydrophobicContact CD1-CG2 3.9Å; L601-V625 HydrophobicContact CD2-CG2 3.98Å; V621-V625 HydrophobicContact CG1-CG2 4.29Å; V621-V625 WeakPolarHBondContact O-CB 3.17Å; V621-V625 WeakPolarHBondContact O-CG2 3.28Å; V621-V625 PolarHBondContact O-N 3.35Å; H622-V625 PolarHBondContact O-N 3.39Å; V625-A628 PolarHBondContact O-N 3.35Å; V625-L629 HydrophobicContact CG1-CD1 4.01Å; V625-L629 HydrophobicContact CG1-CG 4.46Å; V625-L629 WeakPolarHBondContact O-CG 3.27Å; V625-L629 PolarHBondContact O-N 2.92Å; V625-L635 HydrophobicContact CG1-CD1 4.33Å; V625-I655 HydrophobicContact CB-CB 4.47Å; V625-I655 HydrophobicContact CB-CG2 3.95Å; V625-I655 HydrophobicContact CG1-CB 3.76Å; V625-I655 HydrophobicContact CG1-CG2 3.64Å; V625-I658 HydrophobicContact CG1-CG2 3.49Å; V625-I658 VanDerWaalsContact CG1-CG2 3.49Å
626	K	95.2	Very high	93.1	Very high	59 Å²	59	46.8 Å²	46.8	26%	0.257	22%	0.222	S	C	.	.	H	α-helix	trans	-57	-51.4	174.8	179	-179.5	-172.7	143.3	0	111.3	H622 A628 L629 E630 D654 I655	H622-K626 WeakPolarHBondContact O-CB 3.25Å; H622-K626 PolarHBondContact O-N 2.72Å; K626-A628 VanDerWaalsContact C-N 3.29Å; K626-A628 PolarHBondContact O-N 3.46Å; K626-L629 PolarHBondContact O-N 2.87Å; K626-L629 VanDerWaalsContact O-N 3.16Å; K626-E630 WeakPolarHBondContact CE-OE1 3.46Å; K626-E630 HydrophobicContact CG-CG 4.38Å; K626-E630 WeakPolarHBondContact O-CG 3.32Å; K626-E630 PolarHBondContact O-N 3.09Å; K626-D654 WeakPolarHBondContact CD-OD2 3.49Å; K626-D654 WeakPolarHBondContact CE-OD2 3.32Å; K626-D654 IonicContact NZ-OD2 2.79Å; K626-D654 PolarHBondContact NZ-OD2 2.91Å; K626-I655 HydrophobicContact CB-CG2 4.08Å
627	C	93.4	Very high	93.5	Very high	6 Å²	6	39.5 Å²	39.5	4%	0.041	19%	0.188	C	C	.	.	H	α-helix	trans	-58.9	-40.7	178	-178.5	0	0	0	0	112	L590 I593 R623 E624 H631	L590-C627 HydrophobicContact CD2-CB 3.82Å; I593-C627 HydrophobicContact CD1-CB 4.43Å; I593-C627 HydrophobicContact CG2-CB 4.34Å; R623-C627 WeakPolarHBondContact O-CB 3.48Å; R623-C627 PolarHBondContact O-N 3.37Å; E624-C627 PolarHBondContact O-N 2.9Å; C627-H631 WeakPolarHBondContact O-CB 3.48Å; C627-H631 PolarHBondContact O-N 2.98Å; C627-H631 VanDerWaalsContact O-N 3.09Å; C627-H631 PolarHBondContact O-ND1 3.24Å
628	A	95.2	Very high	93.9	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.008	18%	0.182	C	C	.	.	H	α-helix	trans	-64.2	-40.5	177.7	0	0	0	0	0	112.4	I593 F599 E624 V625 K626 N632 K633	I593-A628 HydrophobicContact CG2-CB 4.11Å; F599-A628 HydrophobicContact CB-CB 4.05Å; F599-A628 HydrophobicContact CD1-CB 3.96Å; F599-A628 HydrophobicContact CD2-CB 3.51Å; F599-A628 HydrophobicContact CE1-CB 4.23Å; F599-A628 HydrophobicContact CE2-CB 3.81Å; F599-A628 HydrophobicContact CG-CB 3.56Å; F599-A628 HydrophobicContact CZ-CB 4.14Å; E624-A628 WeakPolarHBondContact O-CB 3.41Å; E624-A628 PolarHBondContact O-N 3.38Å; V625-A628 PolarHBondContact O-N 3.35Å; K626-A628 VanDerWaalsContact C-N 3.29Å; K626-A628 PolarHBondContact O-N 3.46Å; A628-N632 PolarHBondContact O-N 3.46Å; A628-K633 HydrophobicContact CB-CB 4.19Å; A628-K633 HydrophobicContact CB-CG 4.24Å; A628-K633 WeakPolarHBondContact O-CB 3.37Å; A628-K633 WeakPolarHBondContact O-CG 3.43Å; A628-K633 PolarHBondContact O-N 3.06Å
629	L	94.6	Very high	94.3	Very high	49 Å²	49	34.9 Å²	34.9	26%	0.257	16%	0.164	S	C	.	.	H	α-helix	trans	-68.9	-45.9	176.6	-69.1	171.2	0	0	0	111.7	V625 K626 H631 N632 L635 D654 A657 I658	V625-L629 HydrophobicContact CG1-CD1 4.01Å; V625-L629 HydrophobicContact CG1-CG 4.46Å; V625-L629 WeakPolarHBondContact O-CG 3.27Å; V625-L629 PolarHBondContact O-N 2.92Å; K626-L629 PolarHBondContact O-N 2.87Å; K626-L629 VanDerWaalsContact O-N 3.16Å; L629-H631 VanDerWaalsContact C-N 3.26Å; L629-H631 PolarHBondContact O-N 3.18Å; L629-N632 PolarHBondContact O-N 3.01Å; L629-N632 VanDerWaalsContact O-N 3.11Å; L629-L635 HydrophobicContact CD2-CD1 4.09Å; L629-L635 HydrophobicContact CG-CD1 4.36Å; L629-D654 VanDerWaalsContact CD1-O 3.27Å; L629-D654 WeakPolarHBondContact CD1-O 3.27Å; L629-A657 HydrophobicContact CD1-CB 4.39Å; L629-A657 HydrophobicContact CD2-CB 4.45Å; L629-I658 HydrophobicContact CD1-CG2 4.49Å
630	E	94.3	Very high	94.5	Very high	121 Å²	121	35.8 Å²	35.8	57%	0.565	17%	0.169	S	C	*	.	H	α-helix	trans	-59.9	-35.4	178.4	-73.6	174	169.4	0	0	112.5	K626	K626-E630 WeakPolarHBondContact CE-OE1 3.46Å; K626-E630 HydrophobicContact CG-CG 4.38Å; K626-E630 WeakPolarHBondContact O-CG 3.32Å; K626-E630 PolarHBondContact O-N 3.09Å
631	H	91.4	Very high	94.6	Very high	78 Å²	78	34.9 Å²	34.9	36%	0.361	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	16.2	179	-62.3	80.4	0	0	0	113.7	C627 L629 K633	C627-H631 WeakPolarHBondContact O-CB 3.48Å; C627-H631 PolarHBondContact O-N 2.98Å; C627-H631 VanDerWaalsContact O-N 3.09Å; C627-H631 PolarHBondContact O-ND1 3.24Å; L629-H631 VanDerWaalsContact C-N 3.26Å; L629-H631 PolarHBondContact O-N 3.18Å; H631-K633 VanDerWaalsContact C-N 3.25Å; H631-K633 HydrophobicContact CB-CD 4.37Å; H631-K633 HydrophobicContact CB-CG 4.36Å; H631-K633 PolarHBondContact O-N 3.42Å
632	N	92.6	Very high	94.6	Very high	149 Å²	149	41.1 Å²	41.1	80%	0.797	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.8	42.1	176.5	-65	-64.1	0	0	0	113.8	A628 L629	A628-N632 PolarHBondContact O-N 3.46Å; L629-N632 PolarHBondContact O-N 3.01Å; L629-N632 VanDerWaalsContact O-N 3.11Å
633	K	94.2	Very high	94.6	Very high	43 Å²	43	42 Å²	42	19%	0.187	21%	0.206	C	C	.	.			trans	-69.4	150.1	176.1	-55.8	-53.9	179.9	172.4	0	110.6	I593 Q594 A596 F599 A628 H631 L635	I593-K633 WeakPolarHBondContact O-CE 3.48Å; Q594-K633 PolarHBondContact O-NZ 3.49Å; A596-K633 VanDerWaalsContact O-CD 3.31Å; A596-K633 WeakPolarHBondContact O-CD 3.44Å; A596-K633 WeakPolarHBondContact O-CE 3.42Å; A596-K633 PolarHBondContact O-NZ 2.79Å; F599-K633 HydrophobicContact CB-CB 4.06Å; A628-K633 HydrophobicContact CB-CB 4.19Å; A628-K633 HydrophobicContact CB-CG 4.24Å; A628-K633 WeakPolarHBondContact O-CB 3.37Å; A628-K633 WeakPolarHBondContact O-CG 3.43Å; A628-K633 PolarHBondContact O-N 3.06Å; H631-K633 VanDerWaalsContact C-N 3.25Å; H631-K633 HydrophobicContact CB-CD 4.37Å; H631-K633 HydrophobicContact CB-CG 4.36Å; H631-K633 PolarHBondContact O-N 3.42Å; K633-L635 VanDerWaalsContact C-N 3.32Å; K633-L635 PolarHBondContact O-N 3.08Å
634	N	94.8	Very high	94.6	Very high	33 Å²	33	46.8 Å²	46.8	18%	0.176	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	91	172.2	-178.8	11.4	0	0	0	109	K597 H598 F599 F681	K597-N634 PolarHBondContact O-N 3.26Å; H598-N634 PolarHBondContact ND1-ND2 2.72Å; H598-N634 VanDerWaalsContact ND1-ND2 3.13Å; F599-N634 PolarHBondContact N-O 3.3Å; N634-F681 PolarHBondContact ND2-O 3Å
635	L	96.2	Very high	94.6	Very high	13 Å²	13	51.1 Å²	51.1	7%	0.068	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	122.4	-178.2	-168.6	151.3	0	0	0	110.4	F599 V625 L629 K633 P637 I658 V661	F599-L635 HydrophobicContact CD1-CD1 4.11Å; F599-L635 HydrophobicContact CD1-CG 4.02Å; F599-L635 HydrophobicContact CE1-CD1 4.45Å; F599-L635 CarbonylContact O-C 3.4Å; F599-L635 VanDerWaalsContact O-CA 3.28Å; F599-L635 WeakPolarHBondContact O-CA 3.4Å; V625-L635 HydrophobicContact CG1-CD1 4.33Å; L629-L635 HydrophobicContact CD2-CD1 4.09Å; L629-L635 HydrophobicContact CG-CD1 4.36Å; K633-L635 VanDerWaalsContact C-N 3.32Å; K633-L635 PolarHBondContact O-N 3.08Å; L635-P637 HydrophobicContact CD2-CG 3.69Å; L635-I658 HydrophobicContact CD1-CG2 3.84Å; L635-I658 HydrophobicContact CD2-CG2 4.26Å; L635-V661 HydrophobicContact CD2-CB 4.33Å; L635-V661 HydrophobicContact CD2-CG1 4.1Å; L635-V661 HydrophobicContact CD2-CG2 4.32Å; L635-V661 VanDerWaalsContact O-CG1 3.25Å; L635-V661 WeakPolarHBondContact O-CG1 3.27Å
636	I	96.7	Very high	94.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	100	-177.3	-52.4	165.1	0	0	0	108.7	F599 V600 L601 L678 F681 I682	F599-I636 PolarHBondContact O-N 2.67Å; V600-I636 WeakPolarHBondContact CA-O 3.33Å; L601-I636 PolarHBondContact N-O 3.25Å; I636-L678 HydrophobicContact CG2-CD2 3.67Å; I636-F681 HydrophobicContact CD1-CB 3.6Å; I636-F681 HydrophobicContact CG1-CB 3.91Å; I636-F681 HydrophobicContact CG2-CB 3.93Å; I636-F681 HydrophobicContact CG2-CD2 4.12Å; I636-F681 HydrophobicContact CG2-CG 4.04Å; I636-I682 HydrophobicContact CD1-CG1 3.79Å
637	P	97	Very high	94.2	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	139.3	175.7	-17.4	31.9	0	0	0	111.4	L601 L603 L635 F639 V661 N662 G663 V664	L601-P637 CarbonylContact O-C 3.58Å; L601-P637 WeakPolarHBondContact O-CA 3.17Å; L603-P637 HydrophobicContact CD1-CB 4.02Å; L635-P637 HydrophobicContact CD2-CG 3.69Å; P637-F639 HydrophobicContact CB-CE1 3.99Å; P637-F639 HydrophobicContact CB-CE2 4.13Å; P637-F639 HydrophobicContact CB-CZ 3.64Å; P637-F639 HydrophobicContact CG-CZ 4.36Å; P637-V661 HydrophobicContact CG-CB 4.04Å; P637-V661 HydrophobicContact CG-CG1 4.02Å; P637-N662 WeakPolarHBondContact CD-O 3.41Å; P637-G663 CarbonylContact O-C 3.58Å; P637-G663 WeakPolarHBondContact O-CA 3.33Å; P637-V664 PolarHBondContact O-N 3.25Å
638	V	97.4	Very high	94	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	116.9	169.6	-179.6	0	0	0	0	109	I562 V600 L601 L603 V664 W666 L678	I562-V638 HydrophobicContact CD1-CB 4.28Å; I562-V638 HydrophobicContact CD1-CG1 3.84Å; I562-V638 HydrophobicContact CD1-CG2 4.31Å; V600-V638 HydrophobicContact CG1-CG2 3.75Å; L601-V638 PolarHBondContact O-N 2.79Å; L603-V638 PolarHBondContact N-O 2.86Å; V638-V664 CarbonylContact C-O 3.56Å; V638-V664 VanDerWaalsContact CA-O 3.31Å; V638-V664 WeakPolarHBondContact CA-O 3.44Å; V638-V664 HydrophobicContact CG2-CB 4.48Å; V638-W666 HydrophobicContact CG1-CB 4.16Å; V638-W666 HydrophobicContact CG1-CE3 4.29Å; V638-L678 HydrophobicContact CG2-CD1 4.19Å; V638-L678 HydrophobicContact CG2-CD2 3.68Å; V638-L678 HydrophobicContact CG2-CG 4.41Å
639	F	96.6	Very high	93.7	Very high	26 Å²	26	63.1 Å²	63.1	11%	0.114	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	119.9	-175.8	-50.4	-76.8	0	0	0	110.6	L603 P637 F643 W645 V664 W666	L603-F639 HydrophobicContact CB-CD1 4.18Å; L603-F639 HydrophobicContact CD1-CD1 3.71Å; L603-F639 HydrophobicContact CD1-CE1 3.44Å; L603-F639 VanDerWaalsContact CD1-CE1 3.44Å; L603-F639 HydrophobicContact CD1-CZ 4.47Å; P637-F639 HydrophobicContact CB-CE1 3.99Å; P637-F639 HydrophobicContact CB-CE2 4.13Å; P637-F639 HydrophobicContact CB-CZ 3.64Å; P637-F639 HydrophobicContact CG-CZ 4.36Å; F639-F643 AromaticContact CD1-CD1 3.68Å; F639-F643 HydrophobicContact CD1-CD1 3.68Å; F639-F643 AromaticContact CD1-CE1 3.92Å; F639-F643 HydrophobicContact CD1-CE1 3.92Å; F639-F643 HydrophobicContact CE1-CD1 4.39Å; F639-F643 HydrophobicContact CE1-CE1 4.19Å; F639-W645 AromaticContact CE1-CE2 3.9Å; F639-W645 HydrophobicContact CE1-CH2 4.36Å; F639-W645 AromaticContact CE1-CZ2 3.49Å; F639-W645 HydrophobicContact CE1-CZ2 3.49Å; F639-W645 VanDerWaalsContact CE1-CZ2 3.49Å; F639-W645 AromaticContact CE1-NE1 3.98Å; F639-W645 AromaticContact CZ-CZ2 3.99Å; F639-W645 HydrophobicContact CZ-CZ2 3.99Å; F639-V664 PolarHBondContact N-O 2.92Å; F639-W666 WeakPolarHBondContact O-CB 3.18Å; F639-W666 PolarHBondContact O-N 3.33Å
640	D	94.2	Very high	93.6	Very high	23 Å²	23	65.7 Å²	65.7	12%	0.123	32%	0.324	C	S	.	.			trans	-60.3	146.6	162.4	-175.6	-90.7	0	0	0	110.4	L558 L603 T604 M642 F643	L558-D640 HydrophobicContact CD2-CB 4.36Å; L603-D640 WeakPolarHBondContact O-CB 3.37Å; L603-D640 PolarHBondContact O-N 3.32Å; T604-D640 HydrophobicContact CG2-CB 3.91Å; D640-M642 PolarHBondContact O-N 3.14Å; D640-M642 WeakPolarHBondContact OD1-CB 3.28Å; D640-M642 PolarHBondContact OD1-N 3.04Å; D640-F643 HydrophobicContact CB-CB 4.42Å; D640-F643 WeakPolarHBondContact O-CB 3.38Å; D640-F643 PolarHBondContact O-N 3.45Å
641	P	91.5	Very high	93.5	Very high	48 Å²	48	60.1 Å²	60.1	31%	0.312	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-31.5	177.9	-29.8	35.1	0	0	0	115	W666	P641-W666 WeakPolarHBondContact CG-O 3.46Å
642	M	93.4	Very high	93.6	Very high	137 Å²	137	56.5 Å²	56.5	68%	0.675	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	4.6	-175.7	-57.6	-65.1	122.3	0	0	113.3	P605 D640	P605-M642 HydrophobicContact CG-CB 3.59Å; D640-M642 PolarHBondContact O-N 3.14Å; D640-M642 WeakPolarHBondContact OD1-CB 3.28Å; D640-M642 PolarHBondContact OD1-N 3.04Å
643	F	95.3	Very high	93.6	Very high	19 Å²	19	52.7 Å²	52.7	8%	0.083	27%	0.27	C	S	.	.			trans	-74.6	132.2	176.8	175.4	-99.4	0	0	0	111.6	L603 T604 L608 F639 D640 W645	L603-F643 HydrophobicContact CB-CD1 3.99Å; L603-F643 HydrophobicContact CB-CD2 3.82Å; L603-F643 HydrophobicContact CB-CE1 4Å; L603-F643 HydrophobicContact CB-CE2 3.83Å; L603-F643 HydrophobicContact CB-CG 3.88Å; L603-F643 HydrophobicContact CB-CZ 3.91Å; L603-F643 HydrophobicContact CD1-CE1 3.89Å; L603-F643 HydrophobicContact CD1-CZ 3.94Å; L603-F643 HydrophobicContact CD2-CE2 4.15Å; L603-F643 HydrophobicContact CD2-CZ 4.08Å; L603-F643 HydrophobicContact CG-CE1 4.44Å; L603-F643 HydrophobicContact CG-CE2 4.42Å; L603-F643 HydrophobicContact CG-CZ 4.19Å; L603-F643 WeakPolarHBondContact O-CB 3.44Å; T604-F643 WeakPolarHBondContact O-CD2 3.4Å; L608-F643 HydrophobicContact CD1-CE2 4.33Å; L608-F643 HydrophobicContact CD1-CZ 4Å; L608-F643 HydrophobicContact CG-CE2 4.45Å; F639-F643 AromaticContact CD1-CD1 3.68Å; F639-F643 HydrophobicContact CD1-CD1 3.68Å; F639-F643 AromaticContact CD1-CE1 3.92Å; F639-F643 HydrophobicContact CD1-CE1 3.92Å; F639-F643 HydrophobicContact CE1-CD1 4.39Å; F639-F643 HydrophobicContact CE1-CE1 4.19Å; D640-F643 HydrophobicContact CB-CB 4.42Å; D640-F643 WeakPolarHBondContact O-CB 3.38Å; D640-F643 PolarHBondContact O-N 3.45Å; F643-W645 AromaticContact CE1-CD2 3.72Å; F643-W645 HydrophobicContact CE1-CD2 3.72Å; F643-W645 AromaticContact CE1-CE2 3.86Å; F643-W645 HydrophobicContact CE1-CE3 4.06Å; F643-W645 HydrophobicContact CE1-CG 4.02Å; F643-W645 HydrophobicContact CE1-CZ2 4.35Å; F643-W645 HydrophobicContact CE1-CZ3 4.48Å; F643-W645 HydrophobicContact CZ-CD2 4.04Å; F643-W645 AromaticContact CZ-CE3 3.91Å; F643-W645 HydrophobicContact CZ-CE3 3.91Å; F643-W645 HydrophobicContact CZ-CZ3 4.24Å
644	E	93.3	Very high	93.6	Very high	169 Å²	169	53.5 Å²	53.5	79%	0.79	28%	0.277	S	S	*	.			trans	-121.6	139	172.7	-65.3	-177.1	173.3	0	0	109.1
645	W	93.4	Very high	93.6	Very high	98 Å²	98	52 Å²	52	37%	0.371	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-70.1	132.4	175.2	-76.4	108.4	0	0	0	110.1	L603 L608 F639 F643 I651 I658 T659	L603-W645 HydrophobicContact CD1-CH2 3.79Å; L603-W645 HydrophobicContact CD1-CZ2 4.1Å; L603-W645 HydrophobicContact CD1-CZ3 4.39Å; L608-W645 HydrophobicContact CD1-CE3 4.13Å; L608-W645 HydrophobicContact CD1-CZ3 3.81Å; F639-W645 AromaticContact CE1-CE2 3.9Å; F639-W645 HydrophobicContact CE1-CH2 4.36Å; F639-W645 AromaticContact CE1-CZ2 3.49Å; F639-W645 HydrophobicContact CE1-CZ2 3.49Å; F639-W645 VanDerWaalsContact CE1-CZ2 3.49Å; F639-W645 AromaticContact CE1-NE1 3.98Å; F639-W645 AromaticContact CZ-CZ2 3.99Å; F639-W645 HydrophobicContact CZ-CZ2 3.99Å; F643-W645 AromaticContact CE1-CD2 3.72Å; F643-W645 HydrophobicContact CE1-CD2 3.72Å; F643-W645 AromaticContact CE1-CE2 3.86Å; F643-W645 HydrophobicContact CE1-CE3 4.06Å; F643-W645 HydrophobicContact CE1-CG 4.02Å; F643-W645 HydrophobicContact CE1-CZ2 4.35Å; F643-W645 HydrophobicContact CE1-CZ3 4.48Å; F643-W645 HydrophobicContact CZ-CD2 4.04Å; F643-W645 AromaticContact CZ-CE3 3.91Å; F643-W645 HydrophobicContact CZ-CE3 3.91Å; F643-W645 HydrophobicContact CZ-CZ3 4.24Å; W645-I651 HydrophobicContact CE3-CD1 4.33Å; W645-I651 HydrophobicContact CZ3-CD1 4.44Å; W645-I658 HydrophobicContact CH2-CB 4.46Å; W645-I658 HydrophobicContact CH2-CD1 4.41Å; W645-I658 HydrophobicContact CH2-CG1 3.96Å; W645-I658 HydrophobicContact CZ3-CD1 4.14Å; W645-I658 HydrophobicContact CZ3-CG1 3.95Å; W645-T659 HydrophobicContact CD2-CG2 4.49Å; W645-T659 HydrophobicContact CE3-CG2 3.87Å; W645-T659 HydrophobicContact CH2-CG2 4.31Å; W645-T659 HydrophobicContact CZ3-CG2 3.79Å
646	P	91.5	Very high	93.5	Very high	32 Å²	32	54.8 Å²	54.8	21%	0.208	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-66.3	169.6	164	29.5	-32.4	0	0	0	110	L608 L612 E648 I651	L608-P646 HydrophobicContact CD1-CG 4.35Å; L612-P646 HydrophobicContact CD1-CB 4.07Å; L612-P646 HydrophobicContact CD2-CB 3.81Å; L612-P646 HydrophobicContact CD2-CG 3.72Å; P646-E648 PolarHBondContact O-N 2.95Å; P646-I651 HydrophobicContact CG-CD1 4.01Å; P646-I651 HydrophobicContact CG-CG1 4.02Å
647	D	90.5	Very high	93.3	Very high	90 Å²	90	57.1 Å²	57.1	48%	0.481	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-57.9	131.1	174.3	-177	-0.8	0	0	0	110	N649 Q650	D647-N649 PolarHBondContact O-N 3.2Å; D647-N649 VanDerWaalsContact O-N 3.09Å; D647-N649 PolarHBondContact OD1-N 2.87Å; D647-N649 PolarHBondContact OD1-ND2 3.45Å; D647-Q650 HydrophobicContact CB-CG 4.05Å; D647-Q650 WeakPolarHBondContact O-CB 3.43Å; D647-Q650 PolarHBondContact O-N 3.3Å
648	E	90.1	Very high	93.2	Very high	73 Å²	73	57.1 Å²	57.1	34%	0.341	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-56.9	-29.7	-176.5	-173.7	179.1	172.1	0	0	111.5	P646 Q650 I651 R656 T659 R660	P646-E648 PolarHBondContact O-N 2.95Å; E648-Q650 VanDerWaalsContact C-N 3.32Å; E648-Q650 PolarHBondContact O-N 2.99Å; E648-I651 PolarHBondContact O-N 3.28Å; E648-R656 HydrophobicContact CG-CG 3.63Å; E648-R656 PolarHBondContact O-NE 2.92Å; E648-R656 VanDerWaalsContact O-NE 3.11Å; E648-T659 HydrophobicContact CG-CG2 4.4Å; E648-R660 IonicContact OE1-CZ 2.92Å; E648-R660 IonicContact OE1-NE 2.74Å; E648-R660 PolarHBondContact OE1-NE 2.86Å; E648-R660 IonicContact OE1-NH2 2.81Å; E648-R660 PolarHBondContact OE1-NH2 2.92Å
649	N	89.5	Confident	93	Very high	124 Å²	124	58.8 Å²	58.8	66%	0.663	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-72.9	-21.7	178.2	-61.8	-48.8	0	0	0	113.8	D647	D647-N649 PolarHBondContact O-N 3.2Å; D647-N649 VanDerWaalsContact O-N 3.09Å; D647-N649 PolarHBondContact OD1-N 2.87Å; D647-N649 PolarHBondContact OD1-ND2 3.45Å
650	Q	91.3	Very high	92.7	Very high	104 Å²	104	65.7 Å²	65.7	49%	0.486	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-83.6	-16.2	177.7	-64.4	179.9	-36.3	0	0	112.5	L612 G613 D647 E648	L612-Q650 WeakPolarHBondContact CA-O 3.42Å; L612-Q650 HydrophobicContact CD2-CB 4.06Å; G613-Q650 PolarHBondContact N-O 3.24Å; D647-Q650 HydrophobicContact CB-CG 4.05Å; D647-Q650 WeakPolarHBondContact O-CB 3.43Å; D647-Q650 PolarHBondContact O-N 3.3Å; E648-Q650 VanDerWaalsContact C-N 3.32Å; E648-Q650 PolarHBondContact O-N 2.99Å
651	I	92.5	Very high	92.5	Very high	4 Å²	4	66.6 Å²	66.6	2%	0.021	34%	0.339	C	S	.	.	S	Bend	trans	-81.9	129.6	176.6	-56.8	176.6	0	0	0	108.9	L612 W645 P646 E648 I655 R656 T659	L612-I651 HydrophobicContact CD2-CG1 4.14Å; W645-I651 HydrophobicContact CE3-CD1 4.33Å; W645-I651 HydrophobicContact CZ3-CD1 4.44Å; P646-I651 HydrophobicContact CG-CD1 4.01Å; P646-I651 HydrophobicContact CG-CG1 4.02Å; E648-I651 PolarHBondContact O-N 3.28Å; I651-I655 HydrophobicContact CG2-CD1 4.05Å; I651-I655 HydrophobicContact CG2-CG1 3.71Å; I651-R656 HydrophobicContact CG2-CB 4.4Å; I651-R656 PolarHBondContact O-NE 3.41Å; I651-R656 PolarHBondContact O-NH2 3.16Å; I651-T659 HydrophobicContact CD1-CG2 3.56Å
652	P	94	Very high	92.5	Very high	1 Å²	1	68.3 Å²	68.3	1%	0.006	35%	0.346	C	S	.	.			trans	-52	143.9	176	-27.6	34.3	0	0	0	112.7	C611 D654 I655 R656	C611-P652 WeakPolarHBondContact O-CD 3.45Å; C611-P652 WeakPolarHBondContact O-CG 3.4Å; P652-D654 VanDerWaalsContact C-N 3.28Å; P652-D654 WeakPolarHBondContact CB-OD1 3.48Å; P652-D654 PolarHBondContact O-N 3.5Å; P652-I655 HydrophobicContact CB-CG1 4.2Å; P652-I655 HydrophobicContact CG-CG1 4.49Å; P652-I655 PolarHBondContact O-N 2.73Å; P652-R656 WeakPolarHBondContact O-CB 3.46Å; P652-R656 PolarHBondContact O-N 3.02Å
653	A	92.7	Very high	92.5	Very high	69 Å²	69	62.4 Å²	62.4	57%	0.57	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-31.7	-167.9	0	0	0	0	0	113.9
654	D	93.9	Very high	92.5	Very high	60 Å²	60	61.5 Å²	61.5	32%	0.321	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-23.4	-178.9	54.6	-6.6	0	0	0	113.6	H622 K626 L629 P652	H622-D654 IonicContact CE1-OD1 2.77Å; H622-D654 IonicContact NE2-OD1 3.29Å; H622-D654 PolarHBondContact NE2-OD1 2.98Å; H622-D654 IonicContact NE2-OD2 2.88Å; H622-D654 PolarHBondContact NE2-OD2 2.95Å; K626-D654 WeakPolarHBondContact CD-OD2 3.49Å; K626-D654 WeakPolarHBondContact CE-OD2 3.32Å; K626-D654 IonicContact NZ-OD2 2.79Å; K626-D654 PolarHBondContact NZ-OD2 2.91Å; L629-D654 VanDerWaalsContact CD1-O 3.27Å; L629-D654 WeakPolarHBondContact CD1-O 3.27Å; P652-D654 VanDerWaalsContact C-N 3.28Å; P652-D654 WeakPolarHBondContact CB-OD1 3.48Å; P652-D654 PolarHBondContact O-N 3.5Å
655	I	95.1	Very high	92.6	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.005	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-9.7	173.6	65.4	167	0	0	0	114.2	C611 H622 V625 K626 I651 P652 A657 I658	C611-I655 HydrophobicContact CB-CD1 4.13Å; H622-I655 VanDerWaalsContact CD2-CG2 3.45Å; H622-I655 WeakPolarHBondContact CD2-CG2 3.5Å; V625-I655 HydrophobicContact CB-CB 4.47Å; V625-I655 HydrophobicContact CB-CG2 3.95Å; V625-I655 HydrophobicContact CG1-CB 3.76Å; V625-I655 HydrophobicContact CG1-CG2 3.64Å; K626-I655 HydrophobicContact CB-CG2 4.08Å; I651-I655 HydrophobicContact CG2-CD1 4.05Å; I651-I655 HydrophobicContact CG2-CG1 3.71Å; P652-I655 HydrophobicContact CB-CG1 4.2Å; P652-I655 HydrophobicContact CG-CG1 4.49Å; P652-I655 PolarHBondContact O-N 2.73Å; I655-A657 PolarHBondContact O-N 2.93Å; I655-I658 VanDerWaalsContact O-CG1 3.28Å; I655-I658 WeakPolarHBondContact O-CG1 3.49Å; I655-I658 WeakPolarHBondContact O-CG2 3.38Å; I655-I658 PolarHBondContact O-N 3Å
656	R	93.9	Very high	92.7	Very high	73 Å²	73	56.1 Å²	56.1	28%	0.275	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-50.4	-28.8	-178.3	-172.2	177.8	-65.8	148.8	10.7	114.1	E648 I651 P652 I658 T659	E648-R656 HydrophobicContact CG-CG 3.63Å; E648-R656 PolarHBondContact O-NE 2.92Å; E648-R656 VanDerWaalsContact O-NE 3.11Å; I651-R656 HydrophobicContact CG2-CB 4.4Å; I651-R656 PolarHBondContact O-NE 3.41Å; I651-R656 PolarHBondContact O-NH2 3.16Å; P652-R656 WeakPolarHBondContact O-CB 3.46Å; P652-R656 PolarHBondContact O-N 3.02Å; R656-I658 PolarHBondContact O-N 3.17Å; R656-I658 VanDerWaalsContact O-N 3.08Å; R656-T659 PolarHBondContact O-N 3.12Å; R656-T659 VanDerWaalsContact O-N 3.16Å; R656-T659 PolarHBondContact O-OG1 3.22Å
657	A	93.1	Very high	92.7	Very high	48 Å²	48	57.4 Å²	57.4	40%	0.397	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-54.1	-26.6	177.5	0	0	0	0	0	114	L629 I655 T659 R660	L629-A657 HydrophobicContact CD1-CB 4.39Å; L629-A657 HydrophobicContact CD2-CB 4.45Å; I655-A657 PolarHBondContact O-N 2.93Å; A657-T659 PolarHBondContact O-N 3.42Å; A657-T659 VanDerWaalsContact O-N 3.15Å; A657-R660 PolarHBondContact O-N 3.2Å
658	I	94.1	Very high	92.5	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-58.9	-26.9	178.6	67.4	-176.8	0	0	0	113.5	L601 L608 V625 L629 L635 W645 I655 R656 R660 V661	L601-I658 HydrophobicContact CD2-CD1 4.15Å; L601-I658 HydrophobicContact CD2-CG2 4.35Å; L608-I658 HydrophobicContact CD1-CD1 4.3Å; L608-I658 HydrophobicContact CD2-CD1 4.41Å; V625-I658 HydrophobicContact CG1-CG2 3.49Å; V625-I658 VanDerWaalsContact CG1-CG2 3.49Å; L629-I658 HydrophobicContact CD1-CG2 4.49Å; L635-I658 HydrophobicContact CD1-CG2 3.84Å; L635-I658 HydrophobicContact CD2-CG2 4.26Å; W645-I658 HydrophobicContact CH2-CB 4.46Å; W645-I658 HydrophobicContact CH2-CD1 4.41Å; W645-I658 HydrophobicContact CH2-CG1 3.96Å; W645-I658 HydrophobicContact CZ3-CD1 4.14Å; W645-I658 HydrophobicContact CZ3-CG1 3.95Å; I655-I658 VanDerWaalsContact O-CG1 3.28Å; I655-I658 WeakPolarHBondContact O-CG1 3.49Å; I655-I658 WeakPolarHBondContact O-CG2 3.38Å; I655-I658 PolarHBondContact O-N 3Å; R656-I658 PolarHBondContact O-N 3.17Å; R656-I658 VanDerWaalsContact O-N 3.08Å; I658-R660 PolarHBondContact O-N 3Å; I658-V661 PolarHBondContact O-N 3.16Å
659	T	92.3	Very high	92.2	Very high	36 Å²	36	62.3 Å²	62.3	22%	0.221	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-65.7	-17.8	178.5	59	0	0	0	0	113.1	W645 E648 I651 R656 A657	W645-T659 HydrophobicContact CD2-CG2 4.49Å; W645-T659 HydrophobicContact CE3-CG2 3.87Å; W645-T659 HydrophobicContact CH2-CG2 4.31Å; W645-T659 HydrophobicContact CZ3-CG2 3.79Å; E648-T659 HydrophobicContact CG-CG2 4.4Å; I651-T659 HydrophobicContact CD1-CG2 3.56Å; R656-T659 PolarHBondContact O-N 3.12Å; R656-T659 VanDerWaalsContact O-N 3.16Å; R656-T659 PolarHBondContact O-OG1 3.22Å; A657-T659 PolarHBondContact O-N 3.42Å; A657-T659 VanDerWaalsContact O-N 3.15Å
660	R	90.8	Very high	92.2	Very high	171 Å²	171	63.5 Å²	63.5	65%	0.645	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-106.3	3	-175.3	-56.1	177.4	-171.7	176.1	1.5	113	E648 A657 I658 N689	E648-R660 IonicContact OE1-CZ 2.92Å; E648-R660 IonicContact OE1-NE 2.74Å; E648-R660 PolarHBondContact OE1-NE 2.86Å; E648-R660 IonicContact OE1-NH2 2.81Å; E648-R660 PolarHBondContact OE1-NH2 2.92Å; A657-R660 PolarHBondContact O-N 3.2Å; I658-R660 PolarHBondContact O-N 3Å; R660-N689 PolarHBondContact O-ND2 2.69Å; R660-N689 VanDerWaalsContact O-ND2 3.15Å
661	V	90.6	Very high	92.1	Very high	42 Å²	42	59.1 Å²	59.1	26%	0.255	29%	0.291	S	S	.	.	S	Bend	trans	-93.2	132.4	-177.6	-175.4	0	0	0	0	109.8	L635 P637 I658	L635-V661 HydrophobicContact CD2-CB 4.33Å; L635-V661 HydrophobicContact CD2-CG1 4.1Å; L635-V661 HydrophobicContact CD2-CG2 4.32Å; L635-V661 VanDerWaalsContact O-CG1 3.25Å; L635-V661 WeakPolarHBondContact O-CG1 3.27Å; P637-V661 HydrophobicContact CG-CB 4.04Å; P637-V661 HydrophobicContact CG-CG1 4.02Å; I658-V661 PolarHBondContact O-N 3.16Å
662	N	91.3	Very high	92	Very high	83 Å²	83	62.7 Å²	62.7	44%	0.444	31%	0.308	S	S	.	.			trans	-67.5	137.2	173.4	-68.9	-34.5	0	0	0	109.9	P637 F681 N689	P637-N662 WeakPolarHBondContact CD-O 3.41Å; N662-F681 HydrophobicContact CB-CE1 3.95Å; N662-F681 HydrophobicContact CB-CZ 3.94Å; N662-N689 PolarHBondContact ND2-OD1 3.38Å
663	G	92.6	Very high	91.9	Very high	13 Å²	13	65.3 Å²	65.3	13%	0.134	33%	0.33	C	S	.	.			trans	-136	-175.3	-180	0	0	0	0	0	114	P637	P637-G663 CarbonylContact O-C 3.58Å; P637-G663 WeakPolarHBondContact O-CA 3.33Å
664	V	95.7	Very high	92.1	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.006	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	118.8	179	179.3	0	0	0	0	108.9	P637 V638 F639 W666 C674 K677 L678 F681	P637-V664 PolarHBondContact O-N 3.25Å; V638-V664 CarbonylContact C-O 3.56Å; V638-V664 VanDerWaalsContact CA-O 3.31Å; V638-V664 WeakPolarHBondContact CA-O 3.44Å; V638-V664 HydrophobicContact CG2-CB 4.48Å; F639-V664 PolarHBondContact N-O 2.92Å; V664-W666 PolarHBondContact O-N 3.41Å; V664-C674 HydrophobicContact CG1-CB 4.12Å; V664-K677 HydrophobicContact CG1-CB 4.42Å; V664-K677 HydrophobicContact CG1-CD 4.33Å; V664-K677 HydrophobicContact CG2-CB 4.22Å; V664-K677 HydrophobicContact CG2-CD 4.1Å; V664-K677 HydrophobicContact CG2-CG 3.97Å; V664-L678 HydrophobicContact CB-CD2 4.18Å; V664-L678 HydrophobicContact CB-CG 4.26Å; V664-L678 HydrophobicContact CG1-CG 4.39Å; V664-L678 HydrophobicContact CG2-CD2 3.71Å; V664-L678 HydrophobicContact CG2-CG 3.88Å; V664-F681 HydrophobicContact CG2-CD2 3.68Å; V664-F681 HydrophobicContact CG2-CE2 3.69Å
665	R	95.7	Very high	92.1	Very high	154 Å²	154	59.6 Å²	59.6	58%	0.581	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	115.9	169	-173.5	177.1	-68.1	-84.2	1	108.2
666	W	95.4	Very high	92.1	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.307	C	S	.	.			trans	-71.4	136.1	179.7	-169.1	-102.9	0	0	0	110.4	L558 L561 I562 L565 V638 F639 P641 V664 H668 Q671 C674 V675	L558-W666 HydrophobicContact CD1-CD2 3.67Å; L558-W666 HydrophobicContact CD1-CE3 4.34Å; L558-W666 HydrophobicContact CD1-CG 3.78Å; L558-W666 HydrophobicContact CD1-CZ2 4.14Å; L558-W666 HydrophobicContact CD2-CG 4.46Å; L561-W666 HydrophobicContact CD2-CZ2 3.75Å; L561-W666 HydrophobicContact CG-CZ2 4.35Å; I562-W666 HydrophobicContact CG1-CE3 4.45Å; I562-W666 HydrophobicContact CG1-CH2 4.25Å; I562-W666 HydrophobicContact CG1-CZ3 4Å; L565-W666 HydrophobicContact CD1-CH2 3.76Å; L565-W666 HydrophobicContact CD1-CZ2 4.33Å; V638-W666 HydrophobicContact CG1-CB 4.16Å; V638-W666 HydrophobicContact CG1-CE3 4.29Å; F639-W666 WeakPolarHBondContact O-CB 3.18Å; F639-W666 PolarHBondContact O-N 3.33Å; P641-W666 WeakPolarHBondContact CG-O 3.46Å; V664-W666 PolarHBondContact O-N 3.41Å; W666-H668 AromaticContact CD1-CE1 3.94Å; W666-H668 AromaticContact CD1-ND1 3.92Å; W666-H668 AromaticContact NE1-CE1 3.89Å; W666-H668 AromaticContact NE1-ND1 3.57Å; W666-Q671 HydrophobicContact CH2-CB 4.07Å; W666-Q671 HydrophobicContact CH2-CG 4.41Å; W666-Q671 HydrophobicContact CZ2-CB 3.89Å; W666-Q671 HydrophobicContact CZ2-CG 3.72Å; W666-C674 HydrophobicContact CD2-CB 4.37Å; W666-C674 HydrophobicContact CE3-CB 3.6Å; W666-C674 HydrophobicContact CH2-CB 4.4Å; W666-C674 HydrophobicContact CZ3-CB 3.62Å; W666-V675 HydrophobicContact CH2-CG2 4.23Å; W666-V675 HydrophobicContact CZ3-CG2 4.32Å
667	V	92.2	Very high	92.1	Very high	59 Å²	59	63.6 Å²	63.6	36%	0.358	31%	0.312	S	S	.	.			trans	-132.3	116.7	173.7	-172.6	0	0	0	0	108.6	E669 Y670 Q671 C674	V667-E669 PolarHBondContact O-N 3.32Å; V667-E669 VanDerWaalsContact O-N 3.15Å; V667-Y670 HydrophobicContact CB-CD2 4.32Å; V667-Y670 HydrophobicContact CG1-CD2 3.72Å; V667-Y670 HydrophobicContact CG1-CE2 4.5Å; V667-Y670 CarbonylContact O-C 3.57Å; V667-Y670 PolarHBondContact O-N 2.99Å; V667-Q671 PolarHBondContact O-N 3.41Å; V667-C674 PolarHBondContact N-SG 3.33Å; V667-C674 VanDerWaalsContact N-SG 3.36Å
668	H	85	Confident	92.2	Very high	99 Å²	99	61.3 Å²	61.3	46%	0.458	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-29.4	-171.8	-71.8	-67.7	0	0	0	114.5	W666 Q671	W666-H668 AromaticContact CD1-CE1 3.94Å; W666-H668 AromaticContact CD1-ND1 3.92Å; W666-H668 AromaticContact NE1-CE1 3.89Å; W666-H668 AromaticContact NE1-ND1 3.57Å; H668-Q671 WeakPolarHBondContact O-CG 3.47Å; H668-Q671 PolarHBondContact O-NE2 3.12Å
669	E	83.6	Confident	92.2	Very high	166 Å²	166	62.9 Å²	62.9	78%	0.776	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-24.2	178	-65.9	173.2	-175.7	0	0	112.6	V667	V667-E669 PolarHBondContact O-N 3.32Å; V667-E669 VanDerWaalsContact O-N 3.15Å
670	Y	89.3	Confident	92.3	Very high	149 Å²	149	65.8 Å²	65.8	58%	0.584	31%	0.311	S	S	*	.			trans	-118.7	43.8	-174.9	-58	-69.1	0	0	0	112.4	V667 E672 A673 C674	V667-Y670 HydrophobicContact CB-CD2 4.32Å; V667-Y670 HydrophobicContact CG1-CD2 3.72Å; V667-Y670 HydrophobicContact CG1-CE2 4.5Å; V667-Y670 CarbonylContact O-C 3.57Å; V667-Y670 PolarHBondContact O-N 2.99Å; Y670-E672 VanDerWaalsContact C-N 3.34Å; Y670-E672 PolarHBondContact O-N 3.24Å; Y670-A673 PolarHBondContact O-N 3.42Å; Y670-C674 PolarHBondContact O-N 3.16Å; Y670-C674 VanDerWaalsContact O-N 3.07Å; Y670-C674 PolarHBondContact O-SG 3.34Å
671	Q	89.9	Confident	92.4	Very high	12 Å²	12	58.5 Å²	58.5	6%	0.056	28%	0.284	C	S	.	.	H	α-helix	trans	-59.2	-41.7	-175	-55.2	-179.1	7.9	0	0	112.7	K204 W666 V667 H668 A673 C674 V675	K204-Q671 PolarHBondContact O-NE2 3.15Å; W666-Q671 HydrophobicContact CH2-CB 4.07Å; W666-Q671 HydrophobicContact CH2-CG 4.41Å; W666-Q671 HydrophobicContact CZ2-CB 3.89Å; W666-Q671 HydrophobicContact CZ2-CG 3.72Å; V667-Q671 PolarHBondContact O-N 3.41Å; H668-Q671 WeakPolarHBondContact O-CG 3.47Å; H668-Q671 PolarHBondContact O-NE2 3.12Å; Q671-A673 PolarHBondContact O-N 3.4Å; Q671-C674 WeakPolarHBondContact O-CB 3.42Å; Q671-C674 PolarHBondContact O-N 3.02Å; Q671-C674 VanDerWaalsContact O-N 3.14Å; Q671-V675 WeakPolarHBondContact O-CG2 3.29Å; Q671-V675 PolarHBondContact O-N 2.77Å
672	E	90	Very high	92.5	Very high	79 Å²	79	57.1 Å²	57.1	37%	0.369	28%	0.275	S	S	.	.	H	α-helix	trans	-59.8	-45.6	178.2	-69.4	-56	129.9	0	0	111.6	K204 R569 Y670 C674 V675 D676	K204-E672 IonicContact NZ-OE1 3.07Å; K204-E672 PolarHBondContact NZ-OE1 2.92Å; R569-E672 IonicContact CZ-OE2 2.79Å; R569-E672 IonicContact NH2-OE2 2.93Å; R569-E672 PolarHBondContact NH2-OE2 2.96Å; Y670-E672 VanDerWaalsContact C-N 3.34Å; Y670-E672 PolarHBondContact O-N 3.24Å; E672-C674 VanDerWaalsContact C-N 3.28Å; E672-C674 PolarHBondContact O-N 2.86Å; E672-V675 PolarHBondContact O-N 3.31Å; E672-V675 VanDerWaalsContact O-N 3.15Å; E672-D676 PolarHBondContact O-N 3.37Å
673	A	93.3	Very high	92.4	Very high	57 Å²	57	57.9 Å²	57.9	47%	0.471	28%	0.279	S	S	.	.	H	α-helix	trans	-64.8	-33.2	177.2	0	0	0	0	0	112.3	Y670 Q671 K677	Y670-A673 PolarHBondContact O-N 3.42Å; Q671-A673 PolarHBondContact O-N 3.4Å; A673-K677 WeakPolarHBondContact O-CB 3.42Å; A673-K677 PolarHBondContact O-N 2.9Å
674	C	95.4	Very high	91.9	Very high	8 Å²	8	59.1 Å²	59.1	5%	0.054	29%	0.291	C	S	.	.	H	α-helix	trans	-66.5	-42.2	173.7	-61.9	0	0	0	0	111.3	V664 W666 V667 Y670 Q671 E672 K677 L678	V664-C674 HydrophobicContact CG1-CB 4.12Å; W666-C674 HydrophobicContact CD2-CB 4.37Å; W666-C674 HydrophobicContact CE3-CB 3.6Å; W666-C674 HydrophobicContact CH2-CB 4.4Å; W666-C674 HydrophobicContact CZ3-CB 3.62Å; V667-C674 PolarHBondContact N-SG 3.33Å; V667-C674 VanDerWaalsContact N-SG 3.36Å; Y670-C674 PolarHBondContact O-N 3.16Å; Y670-C674 VanDerWaalsContact O-N 3.07Å; Y670-C674 PolarHBondContact O-SG 3.34Å; Q671-C674 WeakPolarHBondContact O-CB 3.42Å; Q671-C674 PolarHBondContact O-N 3.02Å; Q671-C674 VanDerWaalsContact O-N 3.14Å; E672-C674 VanDerWaalsContact C-N 3.28Å; E672-C674 PolarHBondContact O-N 2.86Å; C674-K677 PolarHBondContact O-N 3.12Å; C674-L678 PolarHBondContact O-N 3.38Å
675	V	94.6	Very high	91	Very high	1 Å²	1	64.9 Å²	64.9	1%	0.006	32%	0.318	C	S	.	.	H	α-helix	trans	-67.1	-43.9	176.3	176	0	0	0	0	111	L565 L566 R569 W666 Q671 E672 K677 L678 E679	L565-V675 HydrophobicContact CB-CG2 3.81Å; L565-V675 HydrophobicContact CD1-CG2 3.73Å; L565-V675 HydrophobicContact CG-CG2 4.33Å; L566-V675 HydrophobicContact CD2-CG1 4.35Å; R569-V675 HydrophobicContact CG-CG1 4.24Å; W666-V675 HydrophobicContact CH2-CG2 4.23Å; W666-V675 HydrophobicContact CZ3-CG2 4.32Å; Q671-V675 WeakPolarHBondContact O-CG2 3.29Å; Q671-V675 PolarHBondContact O-N 2.77Å; E672-V675 PolarHBondContact O-N 3.31Å; E672-V675 VanDerWaalsContact O-N 3.15Å; V675-K677 PolarHBondContact O-N 2.94Å; V675-L678 CarbonylContact O-C 3.51Å; V675-L678 WeakPolarHBondContact O-CA 3.43Å; V675-L678 WeakPolarHBondContact O-CB 3.49Å; V675-L678 PolarHBondContact O-N 2.8Å; V675-E679 PolarHBondContact O-N 3.17Å
676	D	94.8	Very high	89.5	Confident	65 Å²	65	60.5 Å²	60.5	35%	0.348	31%	0.306	S	S	.	.	H	α-helix	trans	-58.5	-38.9	174.8	-64.5	-22.1	0	0	0	110.9	R569 E672 E679 K680	R569-D676 IonicContact CZ-OD1 3.98Å; R569-D676 VanDerWaalsContact CZ-OD1 3.29Å; R569-D676 IonicContact NH1-OD1 3.89Å; R569-D676 PolarHBondContact NH1-OD1 3.04Å; R569-D676 IonicContact NH2-OD1 3.22Å; R569-D676 PolarHBondContact NH2-OD1 3.22Å; E672-D676 PolarHBondContact O-N 3.37Å; D676-E679 PolarHBondContact O-N 3.32Å; D676-K680 WeakPolarHBondContact O-CG 3.41Å; D676-K680 PolarHBondContact O-N 3.33Å
677	K	94.5	Very high	87.3	Confident	92 Å²	92	67.2 Å²	67.2	40%	0.4	34%	0.342	S	S	.	.	H	α-helix	trans	-67.4	-38.4	174.6	-165.1	179.4	-177.6	-173.7	0	112.2	V664 A673 C674 V675 K680 F681 L686	V664-K677 HydrophobicContact CG1-CB 4.42Å; V664-K677 HydrophobicContact CG1-CD 4.33Å; V664-K677 HydrophobicContact CG2-CB 4.22Å; V664-K677 HydrophobicContact CG2-CD 4.1Å; V664-K677 HydrophobicContact CG2-CG 3.97Å; A673-K677 WeakPolarHBondContact O-CB 3.42Å; A673-K677 PolarHBondContact O-N 2.9Å; C674-K677 PolarHBondContact O-N 3.12Å; V675-K677 PolarHBondContact O-N 2.94Å; K677-K680 PolarHBondContact O-N 3.2Å; K677-F681 HydrophobicContact CG-CD2 4.44Å; K677-F681 HydrophobicContact CG-CE2 4.21Å; K677-F681 VanDerWaalsContact O-CD2 3.28Å; K677-F681 WeakPolarHBondContact O-CD2 3.37Å; K677-F681 PolarHBondContact O-N 3.2Å; K677-L686 HydrophobicContact CG-CD1 4.12Å
678	L	94.8	Very high	85.2	Confident	0 Å²	0	69 Å²	69	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-61.4	-45.4	172.5	-81.8	172.4	0	0	0	111.5	I562 I636 V638 V664 C674 V675 K680 F681 I682	I562-L678 HydrophobicContact CG2-CD1 4.12Å; I636-L678 HydrophobicContact CG2-CD2 3.67Å; V638-L678 HydrophobicContact CG2-CD1 4.19Å; V638-L678 HydrophobicContact CG2-CD2 3.68Å; V638-L678 HydrophobicContact CG2-CG 4.41Å; V664-L678 HydrophobicContact CB-CD2 4.18Å; V664-L678 HydrophobicContact CB-CG 4.26Å; V664-L678 HydrophobicContact CG1-CG 4.39Å; V664-L678 HydrophobicContact CG2-CD2 3.71Å; V664-L678 HydrophobicContact CG2-CG 3.88Å; C674-L678 PolarHBondContact O-N 3.38Å; V675-L678 CarbonylContact O-C 3.51Å; V675-L678 WeakPolarHBondContact O-CA 3.43Å; V675-L678 WeakPolarHBondContact O-CB 3.49Å; V675-L678 PolarHBondContact O-N 2.8Å; L678-K680 VanDerWaalsContact C-N 3.28Å; L678-K680 PolarHBondContact O-N 3.4Å; L678-F681 WeakPolarHBondContact O-CB 3.41Å; L678-F681 PolarHBondContact O-N 3.4Å; L678-I682 WeakPolarHBondContact O-CG1 3.47Å; L678-I682 PolarHBondContact O-N 3.19Å
679	E	94.1	Very high	82.9	Confident	33 Å²	33	69.2 Å²	69.2	15%	0.154	36%	0.357	C	S	.	.	H	α-helix	trans	-60.6	-37.7	177	-68.5	-162.1	106.1	0	0	111.8	L566 R569 H571 V675 D676 F681 I682 N683	L566-E679 HydrophobicContact CD2-CG 4.45Å; R569-E679 WeakPolarHBondContact CB-OE1 3.27Å; R569-E679 IonicContact CZ-OE2 3.97Å; R569-E679 IonicContact NE-OE2 3.58Å; R569-E679 IonicContact NH1-OE2 3.04Å; R569-E679 PolarHBondContact NH1-OE2 3.14Å; H571-E679 IonicContact CD2-OE1 2.9Å; H571-E679 IonicContact CE1-OE1 3.98Å; H571-E679 IonicContact NE2-OE1 3.41Å; H571-E679 PolarHBondContact NE2-OE1 3.42Å; V675-E679 PolarHBondContact O-N 3.17Å; D676-E679 PolarHBondContact O-N 3.32Å; E679-F681 VanDerWaalsContact C-N 3.33Å; E679-F681 PolarHBondContact O-N 3.02Å; E679-I682 PolarHBondContact O-N 3.08Å; E679-N683 WeakPolarHBondContact O-CB 3.41Å; E679-N683 PolarHBondContact O-N 3.22Å; E679-N683 PolarHBondContact O-ND2 3.47Å
680	K	93.9	Very high	80.5	Confident	98 Å²	98	73.3 Å²	73.3	43%	0.426	37%	0.366	S	S	.	.	H	α-helix	trans	-62.4	-36.6	173.2	-71	179.5	177.1	-178.7	0	113.6	D676 K677 L678 G684 E685 L686	D676-K680 WeakPolarHBondContact O-CG 3.41Å; D676-K680 PolarHBondContact O-N 3.33Å; K677-K680 PolarHBondContact O-N 3.2Å; L678-K680 VanDerWaalsContact C-N 3.28Å; L678-K680 PolarHBondContact O-N 3.4Å; K680-G684 PolarHBondContact O-N 3.02Å; K680-E685 HydrophobicContact CB-CB 4.3Å; K680-E685 PolarHBondContact O-N 3.2Å; K680-L686 HydrophobicContact CB-CD1 3.59Å; K680-L686 HydrophobicContact CB-CG 3.9Å; K680-L686 HydrophobicContact CD-CD1 4.31Å; K680-L686 PolarHBondContact O-N 2.91Å
681	F	92.8	Very high	77.5	Confident	17 Å²	17	69 Å²	69	8%	0.075	37%	0.367	C	S	.	.	H	α-helix	trans	-70.7	-37.6	172.8	-81.6	-71.1	0	0	0	112.2	N634 I636 N662 V664 K677 L678 E679 G684 L686	N634-F681 PolarHBondContact ND2-O 3Å; I636-F681 HydrophobicContact CD1-CB 3.6Å; I636-F681 HydrophobicContact CG1-CB 3.91Å; I636-F681 HydrophobicContact CG2-CB 3.93Å; I636-F681 HydrophobicContact CG2-CD2 4.12Å; I636-F681 HydrophobicContact CG2-CG 4.04Å; N662-F681 HydrophobicContact CB-CE1 3.95Å; N662-F681 HydrophobicContact CB-CZ 3.94Å; V664-F681 HydrophobicContact CG2-CD2 3.68Å; V664-F681 HydrophobicContact CG2-CE2 3.69Å; K677-F681 HydrophobicContact CG-CD2 4.44Å; K677-F681 HydrophobicContact CG-CE2 4.21Å; K677-F681 VanDerWaalsContact O-CD2 3.28Å; K677-F681 WeakPolarHBondContact O-CD2 3.37Å; K677-F681 PolarHBondContact O-N 3.2Å; L678-F681 WeakPolarHBondContact O-CB 3.41Å; L678-F681 PolarHBondContact O-N 3.4Å; E679-F681 VanDerWaalsContact C-N 3.33Å; E679-F681 PolarHBondContact O-N 3.02Å; F681-G684 PolarHBondContact O-N 3.07Å; F681-L686 HydrophobicContact CD1-CB 3.97Å; F681-L686 HydrophobicContact CD2-CD1 4.05Å; F681-L686 HydrophobicContact CE1-CB 3.93Å; F681-L686 HydrophobicContact CE2-CD1 3.95Å; F681-L686 HydrophobicContact CG-CB 4.41Å; F681-L686 HydrophobicContact CG-CD1 4.4Å; F681-L686 HydrophobicContact CZ-CB 4.35Å; F681-L686 HydrophobicContact CZ-CD1 4.21Å
682	I	92.9	Very high	74.5	Confident	13 Å²	13	78.1 Å²	78.1	7%	0.067	41%	0.407	C	S	.	.	H	α-helix	trans	-64.5	-45.1	176.5	-70.4	160.4	0	0	0	110.4	I546 L566 H598 I636 L678 E679 G684	I546-I682 HydrophobicContact CD1-CD1 3.55Å; I546-I682 HydrophobicContact CD1-CG1 4.31Å; L566-I682 HydrophobicContact CD2-CD1 3.99Å; H598-I682 PolarHBondContact CE1-O 2.59Å; I636-I682 HydrophobicContact CD1-CG1 3.79Å; L678-I682 WeakPolarHBondContact O-CG1 3.47Å; L678-I682 PolarHBondContact O-N 3.19Å; E679-I682 PolarHBondContact O-N 3.08Å; I682-G684 PolarHBondContact O-N 2.83Å
683	N	90.5	Very high	71.5	Confident	100 Å²	100	84 Å²	84	54%	0.535	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-9.2	-179.7	-63.7	-16.1	0	0	0	113.7	E679 E685	E679-N683 WeakPolarHBondContact O-CB 3.41Å; E679-N683 PolarHBondContact O-N 3.22Å; E679-N683 PolarHBondContact O-ND2 3.47Å; N683-E685 HydrophobicContact CB-CG 4.24Å
684	G	82.4	Confident	68.4	Low	38 Å²	38	87 Å²	87	39%	0.392	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	14.1	-179.2	0	0	0	0	0	115	K680 F681 I682 L686	K680-G684 PolarHBondContact O-N 3.02Å; F681-G684 PolarHBondContact O-N 3.07Å; I682-G684 PolarHBondContact O-N 2.83Å; G684-L686 VanDerWaalsContact C-N 3.28Å; G684-L686 PolarHBondContact O-N 3.29Å
685	E	75.5	Confident	65.3	Low	122 Å²	122	94.4 Å²	94.4	57%	0.57	48%	0.484	S	S	*	.			trans	-71.5	-25.2	178.1	-65.7	175.1	-153.5	0	0	112.5	K680 N683	K680-E685 HydrophobicContact CB-CB 4.3Å; K680-E685 PolarHBondContact O-N 3.2Å; N683-E685 HydrophobicContact CB-CG 4.24Å
686	L	64.8	Low	62.2	Low	63 Å²	63	99.4 Å²	99.4	33%	0.33	52%	0.517	S	S	.	.	S	Bend	trans	-104.8	98.7	174.9	-66.6	170.4	0	0	0	108	K677 K680 F681 G684 V688	K677-L686 HydrophobicContact CG-CD1 4.12Å; K680-L686 HydrophobicContact CB-CD1 3.59Å; K680-L686 HydrophobicContact CB-CG 3.9Å; K680-L686 HydrophobicContact CD-CD1 4.31Å; K680-L686 PolarHBondContact O-N 2.91Å; F681-L686 HydrophobicContact CD1-CB 3.97Å; F681-L686 HydrophobicContact CD2-CD1 4.05Å; F681-L686 HydrophobicContact CE1-CB 3.93Å; F681-L686 HydrophobicContact CE2-CD1 3.95Å; F681-L686 HydrophobicContact CG-CB 4.41Å; F681-L686 HydrophobicContact CG-CD1 4.4Å; F681-L686 HydrophobicContact CZ-CB 4.35Å; F681-L686 HydrophobicContact CZ-CD1 4.21Å; G684-L686 VanDerWaalsContact C-N 3.28Å; G684-L686 PolarHBondContact O-N 3.29Å; L686-V688 PolarHBondContact O-N 2.93Å
687	N	49.6	Very low	59	Low	140 Å²	140	105.4 Å²	105.4	75%	0.749	54%	0.543	S	S	*	.			trans	-45.2	123.3	-173.2	-83.2	-30.6	0	0	0	113.3	N689	N687-N689 PolarHBondContact O-N 2.81Å
688	V	47.7	Very low	56.2	Low	98 Å²	98	110.9 Å²	110.9	59%	0.594	57%	0.567	S	S	*	*			trans	-64.3	119.6	162.4	-169.7	0	0	0	0	107.2	L686 R690	L686-V688 PolarHBondContact O-N 2.93Å; V688-R690 PolarHBondContact O-N 3.35Å
689	N	37.1	Very low	53.2	Low	102 Å²	102	114.4 Å²	114.4	55%	0.545	60%	0.603	S	S	.	*			trans	-41.2	105.1	-174.3	-78.1	-27.9	0	0	0	113.6	R660 N662 N687	R660-N689 PolarHBondContact O-ND2 2.69Å; R660-N689 VanDerWaalsContact O-ND2 3.15Å; N662-N689 PolarHBondContact ND2-OD1 3.38Å; N687-N689 PolarHBondContact O-N 2.81Å
690	R	32	Very low	50.1	Low	253 Å²	253	118.1 Å²	118.1	96%	0.955	63%	0.633	S	S	*	*			trans	-114.9	104.4	147.2	-74.4	-171.1	-178.9	-174	1.7	107.4	V688	V688-R690 PolarHBondContact O-N 3.35Å
691	G	28.1	Very low	47.3	Very low	59 Å²	59	121.9 Å²	121.9	61%	0.608	66%	0.657	S	S	*	*	S	Bend	trans	112.1	97.4	163.1	0	0	0	0	0	116.5
692	F	25.7	Very low	44.4	Very low	203 Å²	203	126.4 Å²	126.4	89%	0.89	69%	0.69	S	S	*	*			trans	18.6	110.8	140	-78.7	-97.7	0	0	0	118.7
693	F	27.7	Very low	41.4	Very low	201 Å²	201	137.8 Å²	137.8	88%	0.882	73%	0.732	S	S	*	*			trans	-143.3	118.7	140.1	-83.1	-79	0	0	0	108.8
694	P	27.3	Very low	38.7	Very low	121 Å²	121	137.8 Å²	137.8	79%	0.786	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-80.2	126.3	171.5	30.6	-27.3	0	0	0	109.1
695	L	30.2	Very low	36.4	Very low	163 Å²	163	142.8 Å²	142.8	85%	0.853	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-102.7	148.1	163.7	-76.6	171.2	0	0	0	110
696	P	30.1	Very low	34.5	Very low	107 Å²	107	145.7 Å²	145.7	70%	0.695	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-81.3	148.6	-152.9	-9.5	27.6	0	0	0	113.8
697	Q	28.1	Very low	33.2	Very low	191 Å²	191	147.9 Å²	147.9	89%	0.893	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-61.5	129.4	166.9	-68.4	175.8	-10	0	0	110.9
698	F	34.7	Very low	32.5	Very low	207 Å²	207	148 Å²	148	91%	0.908	78%	0.783	S	S	*	*			trans	-126.2	122.6	154.6	-91.4	-80.4	0	0	0	109.2
699	G	32.6	Very low	32	Very low	74 Å²	74	148.4 Å²	148.4	76%	0.763	79%	0.79	S	S	*	*			trans	-76.6	169.5	-168.4	0	0	0	0	0	115.5
700	S	29	Very low	32.1	Very low	110 Å²	110	149.4 Å²	149.4	77%	0.769	81%	0.805	S	S	*	*			trans	-55.3	134.8	173.4	65.3	0	0	0	0	112.3
701	L	33.7	Very low	32.6	Very low	178 Å²	178	142.9 Å²	142.9	93%	0.932	80%	0.795	S	S	*	*			trans	-135.4	127.8	150.5	-87.8	171.1	0	0	0	110.8
702	S	33.5	Very low	33	Very low	112 Å²	112	146.3 Å²	146.3	78%	0.783	80%	0.804	S	S	*	*			trans	-75.5	155.2	-171.7	-43.3	0	0	0	0	112.9
703	R	28.5	Very low	33.4	Very low	251 Å²	251	142.3 Å²	142.3	95%	0.947	80%	0.797	S	S	*	*			trans	-58.5	129.7	176.8	-164.7	179.2	-162.9	-175.6	4.4	113.8
704	S	34.4	Very low	33.8	Very low	101 Å²	101	141.8 Å²	141.8	71%	0.706	80%	0.8	S	S	*	*			trans	-169.9	97.9	157.9	164.7	0	0	0	0	108.5
705	M	35.2	Very low	34.1	Very low	143 Å²	143	143.4 Å²	143.4	70%	0.704	80%	0.802	S	S	*	*				79.8	116.8	99.2	-85.8	-153.9	-73.4	0	0	115.8
706	F	35.4	Very low	34.5	Very low	183 Å²	183	142 Å²	142	80%	0.803	80%	0.799	S	S	*	*			trans	67.4	150.9	158.1	-51.2	-66.7	0	0	0	118.3
707	V	36.7	Very low	34.9	Very low	108 Å²	108	142.4 Å²	142.4	66%	0.655	81%	0.805	S	S	*	*			cis	-173.2	141.9	-11.8	139.5	0	0	0	0	105.2
708	N	35.6	Very low	35.3	Very low	143 Å²	143	136.4 Å²	136.4	77%	0.765	79%	0.794	S	S	*	*			trans	69.6	140.5	155.3	-71.8	-8.5	0	0	0	124.5
709	S	37.5	Very low	35.4	Very low	107 Å²	107	131.8 Å²	131.8	75%	0.748	79%	0.787	S	S	*	*			trans	98.8	86.1	145	-6.1	0	0	0	0	119.4
710	S	37.6	Very low	35.5	Very low	122 Å²	122	133.3 Å²	133.3	85%	0.853	79%	0.787	S	S	*	*				32.4	152.7	120.4	-49.8	0	0	0	0	123.3
711	P	42.4	Very low	35.9	Very low	117 Å²	117	134 Å²	134	76%	0.76	79%	0.792	S	S	*	*			trans	-119.6	170.5	-139.4	40.8	-28	0	0	0	115.5
712	T	36.3	Very low	35.8	Very low	130 Å²	130	131.4 Å²	131.4	80%	0.798	78%	0.783	S	S	*	*			trans	-160.2	117.6	158.3	-8.6	0	0	0	0	113
713	T	35	Very low	35.9	Very low	120 Å²	120	133.3 Å²	133.3	74%	0.736	78%	0.784	S	S	*	*			trans	33.1	127.8	140.1	58.3	0	0	0	0	121.7
714	M	36.9	Very low	36.1	Very low	190 Å²	190	128.9 Å²	128.9	94%	0.936	78%	0.777	S	S	*	*				-178	142.7	103.8	-94.7	-156.5	146.9	0	0	113.6
715	N	33.3	Very low	36.1	Very low	155 Å²	155	129.5 Å²	129.5	83%	0.829	78%	0.776	S	S	*	*			trans	-63.5	165.6	177.3	-78.4	-29.8	0	0	0	114
716	V	38.9	Very low	36.1	Very low	132 Å²	132	129.3 Å²	129.3	80%	0.8	78%	0.776	S	S	*	*				173.9	110.5	115.8	159	0	0	0	0	111.5
717	S	37.7	Very low	36.1	Very low	117 Å²	117	129.3 Å²	129.3	82%	0.818	78%	0.778	S	S	*	*			trans	26.6	143.1	143.1	64.7	0	0	0	0	125
718	G	36.5	Very low	36.1	Very low	64 Å²	64	128.7 Å²	128.7	66%	0.66	78%	0.779	S	S	*	*			trans	162.2	83.8	140.2	0	0	0	0	0	118.7
719	S	37	Very low	36.1	Very low	110 Å²	110	129.9 Å²	129.9	77%	0.769	79%	0.785	S	S	*	*			trans	46.4	114.3	132.9	62.7	0	0	0	0	121
720	S	35.7	Very low	36.1	Very low	107 Å²	107	128.6 Å²	128.6	75%	0.748	78%	0.78	S	S	*	*				102.6	123.1	72.1	74.2	0	0	0	0	112.1
721	S	35.8	Very low	36.2	Very low	125 Å²	125	132.1 Å²	132.1	87%	0.874	78%	0.78	S	S	*	*			trans	178.2	139.1	133	-87.8	0	0	0	0	111.1
722	T	32.1	Very low	36	Very low	123 Å²	123	132.3 Å²	132.3	76%	0.755	78%	0.784	S	S	*	*			trans	-123.2	148.1	-164.6	-44	0	0	0	0	108.6
723	D	34.7	Very low	35.8	Very low	151 Å²	151	137.3 Å²	137.3	81%	0.807	79%	0.789	S	S	*	*			trans	-162.5	112.2	151.6	-86.8	-34.6	0	0	0	107.6
724	M	33.7	Very low	36.2	Very low	159 Å²	159	137.3 Å²	137.3	78%	0.783	79%	0.791	S	S	*	*				67.4	133.4	76.5	-75.7	-136.2	-63.5	0	0	113.1
725	V	34.9	Very low	36.2	Very low	113 Å²	113	139.8 Å²	139.8	69%	0.685	79%	0.789	S	S	*	*			cis	-176.4	148.7	24.5	143.1	0	0	0	0	106.8
726	I	35.5	Very low	36.9	Very low	140 Å²	140	136.2 Å²	136.2	72%	0.718	79%	0.789	S	S	*	*				176.6	126.4	91.3	-73.2	177.4	0	0	0	111.6
727	E	35	Very low	37	Very low	182 Å²	182	137.5 Å²	137.5	85%	0.85	79%	0.792	S	S	*	*			trans	28.8	148.1	136	-51.1	179.1	138.4	0	0	122.6
728	S	36	Very low	37.1	Very low	96 Å²	96	137.1 Å²	137.1	67%	0.671	79%	0.789	S	S	*	*			cis	-170.1	145.4	40.7	80.2	0	0	0	0	115.1
729	L	36.7	Very low	37.5	Very low	168 Å²	168	147.1 Å²	147.1	88%	0.88	82%	0.819	S	S	*	*			trans	68.3	139.5	141.7	-60.4	161.5	0	0	0	121.5
730	A	37.5	Very low	37.6	Very low	79 Å²	79	149 Å²	149	65%	0.653	82%	0.821	S	S	*	*			cis	-174.4	141.6	-11.3	0	0	0	0	0	105.6
731	K	38.2	Very low	37.7	Very low	197 Å²	197	151.2 Å²	151.2	86%	0.857	83%	0.825	S	S	*	*				174.7	147	75.8	-91.2	177.1	177.3	171.6	0	110.7
732	S	38	Very low	37.8	Very low	120 Å²	120	152.7 Å²	152.7	84%	0.839	82%	0.822	S	S	*	*			trans	70.7	102.7	151.2	52.6	0	0	0	0	122.6
733	R	33.2	Very low	38.1	Very low	236 Å²	236	154.4 Å²	154.4	89%	0.891	83%	0.826	S	S	*	*			trans	-92.6	168	148.7	-74.7	-179.3	166.6	-176.6	-3	109.9
734	P	42.7	Very low	38.3	Very low	120 Å²	120	154.6 Å²	154.6	78%	0.779	83%	0.827	S	S	*	*				-140.2	133.3	85.2	25.9	-4.5	0	0	0	114
735	R	38	Very low	38.6	Very low	241 Å²	241	154.3 Å²	154.3	91%	0.909	83%	0.83	S	S	*	*				65.8	118	107.3	-71.4	-171.8	175.5	-178.4	-0.5	116.9
736	G	47.3	Very low	38.9	Very low	80 Å²	80	157.3 Å²	157.3	83%	0.825	84%	0.841	S	S	*	*			trans	-170.1	112.4	157.1	0	0	0	0	0	109.6
737	N	41.1	Very low	39.1	Very low	160 Å²	160	158.6 Å²	158.6	86%	0.856	85%	0.85	S	S	*	*			trans	-79.5	153.7	-171.5	-85.6	-16.8	0	0	0	114.2
738	S	40.7	Very low	39.5	Very low	109 Å²	109	156.7 Å²	156.7	76%	0.762	85%	0.85	S	S	*	*			trans	55	105.7	138.1	65.1	0	0	0	0	120.4
739	Q	44.7	Very low	39.8	Very low	274 Å²	274	162.2 Å²	162.2	100%	1.28	87%	0.866	S	S	*	*				-147.8	0	100	-101.2	-175.1	3.1	0	0	109.4

Retrieved 739 of 739 residues in 1704 ms (Link to these results)

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