A0A5K4FBV3_SCHMA Loading...

DC_STAMP domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FBV3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 759 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	36.8	Very low	31.1	Very low	250 Å²	250	156.4 Å²	156.4	100%	1.232	81%	0.812	S	S	*	*				0	112.7	0	-84.8	175.8	169.3	0	0	107.2
2	I	30.9	Very low	31.2	Very low	150 Å²	150	159.3 Å²	159.3	77%	0.769	81%	0.814	S	S	*	*			trans	-74.4	128.4	-178.9	-62.3	164.4	0	0	0	108.8	N4	I2-N4 WeakPolarHBondContact CG2-OD1 3.36Å
3	I	36.1	Very low	30.8	Very low	175 Å²	175	159.2 Å²	159.2	90%	0.897	82%	0.815	S	S	*	*			trans	-142.6	134.3	140	-59.3	-173.2	0	0	0	107.7
4	N	32.2	Very low	30.9	Very low	137 Å²	137	155.5 Å²	155.5	73%	0.733	81%	0.806	S	S	*	*			trans	-78.3	160.5	-156.8	-69.4	-25.9	0	0	0	116.5	I2	I2-N4 WeakPolarHBondContact CG2-OD1 3.36Å
5	E	24.7	Very low	30.7	Very low	140 Å²	140	155.6 Å²	155.6	65%	0.654	81%	0.809	S	S	*	*			trans	-49.4	162.9	157.1	-60.9	175.3	137.4	0	0	113.4	Q7	E5-Q7 HydrophobicContact CG-CG 4.47Å; E5-Q7 WeakPolarHBondContact OE1-CG 3.49Å; E5-Q7 PolarHBondContact OE1-NE2 3.42Å
6	P	32.6	Very low	30.7	Very low	131 Å²	131	156.1 Å²	156.1	85%	0.851	81%	0.811	S	S	*	*				-127.9	138.7	88.3	21.2	-3.8	0	0	0	113.4
7	Q	28.7	Very low	30.6	Very low	140 Å²	140	152.6 Å²	152.6	65%	0.654	80%	0.801	S	S	*	*			trans	-75.6	133.6	167	-63.3	173.3	-13.3	0	0	109.8	E5	E5-Q7 HydrophobicContact CG-CG 4.47Å; E5-Q7 WeakPolarHBondContact OE1-CG 3.49Å; E5-Q7 PolarHBondContact OE1-NE2 3.42Å
8	E	32.1	Very low	30.8	Very low	196 Å²	196	154.5 Å²	154.5	92%	0.916	81%	0.811	S	S	*	*			trans	-130.6	113.8	152	-108.6	179.2	174.2	0	0	109.2
9	N	30.8	Very low	30.8	Very low	135 Å²	135	152.3 Å²	152.3	72%	0.722	81%	0.809	S	S	*	*			trans	-28.9	124.6	172	-66.2	-27.6	0	0	0	114.6
10	T	24.7	Very low	30.7	Very low	104 Å²	104	150.1 Å²	150.1	64%	0.638	81%	0.807	S	S	*	*				40.6	114.1	96.1	64	0	0	0	0	112.5
11	D	32.9	Very low	30.6	Very low	162 Å²	162	151.3 Å²	151.3	87%	0.866	81%	0.812	S	S	*	*				-147.8	137.9	92.9	-82.9	-32.9	0	0	0	115.5
12	K	31.4	Very low	30.3	Very low	192 Å²	192	147 Å²	147	84%	0.835	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-74.8	131.4	-179.4	-72.5	168.7	175.4	171.5	0	110.5
13	L	27	Very low	30.1	Very low	157 Å²	157	145.1 Å²	145.1	82%	0.822	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-51.8	121.7	168.1	-155.4	77.9	0	0	0	111.4
14	P	32.3	Very low	29.7	Very low	108 Å²	108	143.4 Å²	143.4	70%	0.701	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-82	121.8	172.2	29.8	-27.9	0	0	0	110.4
15	N	26.9	Very low	29.5	Very low	157 Å²	157	145.3 Å²	145.3	84%	0.84	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-69.3	120.2	163	-75.2	-31.2	0	0	0	109.3
16	L	31	Very low	29.6	Very low	163 Å²	163	146.5 Å²	146.5	85%	0.853	81%	0.805	S	S	*	*			trans	-135.2	150.9	162.9	-108.2	105.7	0	0	0	111.8
17	P	29.1	Very low	29.3	Very low	98 Å²	98	145.8 Å²	145.8	64%	0.636	80%	0.798	S	S	*	*			trans	-95.5	152.8	-142.4	35.8	-33.3	0	0	0	115.5	S19	P17-S19 VanDerWaalsContact C-N 3.34Å; P17-S19 PolarHBondContact O-N 3.46Å
18	L	33.7	Very low	29.4	Very low	186 Å²	186	144.4 Å²	144.4	97%	0.974	80%	0.799	S	S	*	*	S	Bend	trans	-79	36.8	-163.8	-155.3	81.2	0	0	0	116.1
19	S	31.5	Very low	29.3	Very low	112 Å²	112	141.6 Å²	141.6	78%	0.783	79%	0.789	S	S	*	*	S	Bend	trans	-129.5	11.3	-171.4	61.6	0	0	0	0	118.5	P17	P17-S19 VanDerWaalsContact C-N 3.34Å; P17-S19 PolarHBondContact O-N 3.46Å
20	S	29.5	Very low	29.2	Very low	109 Å²	109	141.9 Å²	141.9	76%	0.762	78%	0.784	S	S	*	*	S	Bend	trans	-133.7	37.4	-179.7	68.1	0	0	0	0	115.7
21	L	27.9	Very low	29.5	Very low	175 Å²	175	142.4 Å²	142.4	92%	0.916	78%	0.783	S	S	*	*			trans	-128	33.1	177.4	-114.8	139.6	0	0	0	113.8
22	I	29.8	Very low	29.4	Very low	160 Å²	160	140.6 Å²	140.6	82%	0.821	77%	0.772	S	S	*	*	S	Bend	trans	-106	127.6	165.8	-61.8	167.4	0	0	0	106.2
23	S	27.3	Very low	29.6	Very low	110 Å²	110	136.8 Å²	136.8	77%	0.769	76%	0.761	S	S	*	*	S	Bend	trans	74.1	82.7	180	70.1	0	0	0	0	116.9
24	T	27	Very low	30.5	Very low	139 Å²	139	139.6 Å²	139.6	85%	0.853	76%	0.762	S	S	*	*			trans	-159.9	140.1	130.6	39	0	0	0	0	107.8
25	E	27.5	Very low	31.1	Very low	177 Å²	177	141.7 Å²	141.7	83%	0.827	77%	0.765	S	S	*	*			trans	-39.3	145	-179.2	-67.3	161.8	144.5	0	0	113.2	T27	E25-T27 PolarHBondContact O-N 3.38Å
26	L	28.3	Very low	31.8	Very low	166 Å²	166	139.8 Å²	139.8	87%	0.869	76%	0.755	S	S	*	*			trans	-55.6	76.7	176.8	-77.5	141.4	0	0	0	111.4	V28	L26-V28 PolarHBondContact O-N 2.93Å; L26-V28 VanDerWaalsContact O-N 3.1Å
27	T	26.5	Very low	32.3	Very low	115 Å²	115	139.9 Å²	139.9	71%	0.706	76%	0.757	S	S	*	*			trans	-66.9	111.1	164.7	51.3	0	0	0	0	106.4	E25 I29	E25-T27 PolarHBondContact O-N 3.38Å; T27-I29 PolarHBondContact O-N 3.04Å
28	V	30.5	Very low	32.9	Very low	111 Å²	111	142.4 Å²	142.4	67%	0.673	76%	0.76	S	S	*	*			trans	-50.6	96.4	173.5	174.5	0	0	0	0	109	L26 K30	L26-V28 PolarHBondContact O-N 2.93Å; L26-V28 VanDerWaalsContact O-N 3.1Å; V28-K30 VanDerWaalsContact C-N 3.26Å; V28-K30 HydrophobicContact CG1-CD 4.32Å; V28-K30 HydrophobicContact CG1-CG 3.9Å; V28-K30 PolarHBondContact O-N 3.16Å
29	I	29.4	Very low	33.3	Very low	137 Å²	137	138 Å²	138	70%	0.703	74%	0.743	S	S	*	*			trans	-76.7	86.1	170.6	-59.8	172.8	0	0	0	106.6	T27 N31	T27-I29 PolarHBondContact O-N 3.04Å; I29-N31 WeakPolarHBondContact CG2-OD1 3.16Å; I29-N31 PolarHBondContact O-N 2.97Å; I29-N31 VanDerWaalsContact O-N 3.16Å
30	K	28.4	Very low	33.8	Very low	141 Å²	141	138.4 Å²	138.4	61%	0.613	73%	0.731	S	S	*	*			trans	-71.4	93	162.3	-86.4	168.7	-178	-178	0	107.6	V28 I32	V28-K30 VanDerWaalsContact C-N 3.26Å; V28-K30 HydrophobicContact CG1-CD 4.32Å; V28-K30 HydrophobicContact CG1-CG 3.9Å; V28-K30 PolarHBondContact O-N 3.16Å; K30-I32 PolarHBondContact O-N 3.35Å
31	N	31.1	Very low	35.1	Very low	116 Å²	116	137 Å²	137	62%	0.62	71%	0.714	S	S	*	*			trans	-74.3	115.6	163.2	-86.3	4.6	0	0	0	108.1	I29 D33	I29-N31 WeakPolarHBondContact CG2-OD1 3.16Å; I29-N31 PolarHBondContact O-N 2.97Å; I29-N31 VanDerWaalsContact O-N 3.16Å; N31-D33 PolarHBondContact O-N 2.86Å
32	I	31.2	Very low	36.8	Very low	123 Å²	123	136.6 Å²	136.6	63%	0.631	71%	0.705	S	S	*	*			trans	-83.2	101.2	177.8	-63.6	164.4	0	0	0	107.1	K30 Y34	K30-I32 PolarHBondContact O-N 3.35Å; I32-Y34 HydrophobicContact CG2-CD2 4.21Å; I32-Y34 HydrophobicContact CG2-CE2 4.26Å; I32-Y34 PolarHBondContact O-N 3.1Å
33	D	36.3	Very low	38.2	Very low	113 Å²	113	135.5 Å²	135.5	60%	0.604	70%	0.696	S	S	*	*			trans	-77.9	114.9	166.3	-82.1	-23.4	0	0	0	108.9	N31 I35	N31-D33 PolarHBondContact O-N 2.86Å; D33-I35 PolarHBondContact O-N 2.66Å
34	Y	44.4	Very low	40.2	Very low	215 Å²	215	135.5 Å²	135.5	84%	0.843	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	14.8	-165.8	-106.9	-87.1	0	0	0	116.8	I32	I32-Y34 HydrophobicContact CG2-CD2 4.21Å; I32-Y34 HydrophobicContact CG2-CE2 4.26Å; I32-Y34 PolarHBondContact O-N 3.1Å
35	I	45	Very low	42.4	Very low	152 Å²	152	134 Å²	134	78%	0.779	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.6	-20.4	-174	-59.8	-180	0	0	0	112.8	D33	D33-I35 PolarHBondContact O-N 2.66Å
36	N	42.2	Very low	44.6	Very low	117 Å²	117	129.9 Å²	129.9	63%	0.626	65%	0.651	S	S	*	*	S	Bend	trans	-146.2	119.7	170.1	-78	-47.1	0	0	0	109	Q38	N36-Q38 PolarHBondContact O-N 2.77Å
37	N	41.8	Very low	46.6	Very low	165 Å²	165	125.5 Å²	125.5	88%	0.882	63%	0.628	S	S	*	*			trans	-65.7	41	180	-80.4	-20.9	0	0	0	114.4
38	Q	41.6	Very low	48.9	Very low	152 Å²	152	123.6 Å²	123.6	71%	0.71	61%	0.614	S	S	*	*	S	Bend	trans	-107.1	126.2	167.3	-72.3	-173.7	-16.3	0	0	108.8	N36 F40	N36-Q38 PolarHBondContact O-N 2.77Å; Q38-F40 PolarHBondContact O-N 2.74Å
39	P	41.9	Very low	51.1	Low	94 Å²	94	122.8 Å²	122.8	61%	0.61	61%	0.605	S	S	*	*			trans	-60.8	111.6	176.1	25.3	-31.7	0	0	0	108.9	D41	P39-D41 PolarHBondContact O-N 3.18Å
40	F	43.3	Very low	53.3	Low	120 Å²	120	122.5 Å²	122.5	53%	0.526	60%	0.598	S	S	.	*			trans	-81.6	90.8	179.1	-106.5	-88.8	0	0	0	109.8	Q38 K42	Q38-F40 PolarHBondContact O-N 2.74Å; F40-K42 PolarHBondContact O-N 3Å
41	D	55.8	Low	55.5	Low	79 Å²	79	120.2 Å²	120.2	42%	0.422	59%	0.586	S	S	.	*			trans	-78.7	97.9	175.2	-81.3	-19.2	0	0	0	110.5	P39 H43 E44 E45	P39-D41 PolarHBondContact O-N 3.18Å; D41-H43 PolarHBondContact O-N 3.45Å; D41-E44 HydrophobicContact CB-CB 4.1Å; D41-E44 WeakPolarHBondContact O-CB 3.48Å; D41-E44 PolarHBondContact O-N 2.07Å; D41-E45 PolarHBondContact O-N 3.17Å
42	K	62.9	Low	57.7	Low	166 Å²	166	116.8 Å²	116.8	72%	0.722	58%	0.578	S	S	*	*	H	α-helix	trans	-48.1	-30.5	171.1	-94.2	-179.1	179.5	172.8	0	113.3	F40 L46	F40-K42 PolarHBondContact O-N 3Å; K42-L46 WeakPolarHBondContact O-CB 3.39Å; K42-L46 PolarHBondContact O-N 3.24Å
43	H	60.4	Low	60	Low	137 Å²	137	117.7 Å²	117.7	63%	0.634	58%	0.577	S	S	*	*	H	α-helix	trans	-66.9	-35.2	176.4	-77.4	-66	0	0	0	113.1	D41 N47	D41-H43 PolarHBondContact O-N 3.45Å; H43-N47 WeakPolarHBondContact O-CB 3.49Å; H43-N47 PolarHBondContact O-N 3.35Å; H43-N47 PolarHBondContact O-ND2 2.87Å
44	E	68.2	Low	62	Low	111 Å²	111	112.7 Å²	112.7	52%	0.519	55%	0.551	S	S	.	*	H	α-helix	trans	-72.4	-42	-179.6	-165.9	169.4	-167.9	0	0	111.3	D41 N47 N48	D41-E44 HydrophobicContact CB-CB 4.1Å; D41-E44 WeakPolarHBondContact O-CB 3.48Å; D41-E44 PolarHBondContact O-N 2.07Å; E44-N47 PolarHBondContact O-N 3.06Å; E44-N48 WeakPolarHBondContact O-CB 3.49Å; E44-N48 PolarHBondContact O-N 3.4Å; E44-N48 PolarHBondContact O-ND2 2.92Å
45	E	73.2	Confident	63.6	Low	106 Å²	106	104.6 Å²	104.6	50%	0.495	52%	0.522	S	S	.	.	H	α-helix	trans	-60.1	-47.4	172.1	-74.9	-168.3	158.4	0	0	112.2	D41 N47 N48 I49	D41-E45 PolarHBondContact O-N 3.17Å; E45-N47 VanDerWaalsContact C-N 3.29Å; E45-N47 PolarHBondContact O-N 3.47Å; E45-N48 PolarHBondContact O-N 3.19Å; E45-N48 VanDerWaalsContact O-N 3.16Å; E45-I49 VanDerWaalsContact O-CG1 3.28Å; E45-I49 WeakPolarHBondContact O-CG1 3.35Å; E45-I49 PolarHBondContact O-N 3.46Å
46	L	73.8	Confident	65.3	Low	92 Å²	92	104.6 Å²	104.6	48%	0.482	52%	0.517	S	S	.	.	H	α-helix	trans	-58.6	-41.3	176.3	-97.4	154.8	0	0	0	111.9	K42 K50	K42-L46 WeakPolarHBondContact O-CB 3.39Å; K42-L46 PolarHBondContact O-N 3.24Å; L46-K50 WeakPolarHBondContact O-CB 3.22Å; L46-K50 VanDerWaalsContact O-CG 3.29Å; L46-K50 WeakPolarHBondContact O-CG 3.31Å; L46-K50 PolarHBondContact O-N 3.3Å
47	N	70.4	Confident	66.9	Low	73 Å²	73	102.8 Å²	102.8	39%	0.39	51%	0.507	S	S	.	.	H	α-helix	trans	-67.6	-40.5	175.9	-74.4	-20.3	0	0	0	111.6	H43 E44 E45 K50 R51	H43-N47 WeakPolarHBondContact O-CB 3.49Å; H43-N47 PolarHBondContact O-N 3.35Å; H43-N47 PolarHBondContact O-ND2 2.87Å; E44-N47 PolarHBondContact O-N 3.06Å; E45-N47 VanDerWaalsContact C-N 3.29Å; E45-N47 PolarHBondContact O-N 3.47Å; N47-K50 PolarHBondContact O-N 3.43Å; N47-R51 WeakPolarHBondContact O-CB 3.3Å; N47-R51 VanDerWaalsContact O-CG 3.25Å; N47-R51 WeakPolarHBondContact O-CG 3.24Å; N47-R51 PolarHBondContact O-N 3.4Å
48	N	75.1	Confident	68.5	Low	75 Å²	75	95 Å²	95	40%	0.401	47%	0.465	S	S	.	.	H	α-helix	trans	-66.3	-40.3	176.5	-73.1	-21.5	0	0	0	112.1	E44 E45 R51 G52	E44-N48 WeakPolarHBondContact O-CB 3.49Å; E44-N48 PolarHBondContact O-N 3.4Å; E44-N48 PolarHBondContact O-ND2 2.92Å; E45-N48 PolarHBondContact O-N 3.19Å; E45-N48 VanDerWaalsContact O-N 3.16Å; N48-R51 PolarHBondContact O-N 3.14Å; N48-R51 PolarHBondContact OD1-NH1 3.45Å; N48-G52 PolarHBondContact O-N 3.39Å
49	I	77.4	Confident	70.2	Confident	94 Å²	94	91 Å²	91	48%	0.482	45%	0.448	S	S	.	.	H	α-helix	trans	-62.5	-43.6	172.8	-68	165.8	0	0	0	110.6	E45 G52 K53	E45-I49 VanDerWaalsContact O-CG1 3.28Å; E45-I49 WeakPolarHBondContact O-CG1 3.35Å; E45-I49 PolarHBondContact O-N 3.46Å; I49-G52 PolarHBondContact O-N 3.09Å; I49-K53 HydrophobicContact CG2-CD 4.39Å; I49-K53 WeakPolarHBondContact O-CG 3.4Å; I49-K53 PolarHBondContact O-N 2.69Å
50	K	75.4	Confident	71.7	Confident	131 Å²	131	90.3 Å²	90.3	57%	0.57	44%	0.44	S	S	*	.	H	α-helix	trans	-62.5	-45.4	175.5	-76.2	174.8	-176	175.5	0	111.6	L46 N47 G52 K53 S54	L46-K50 WeakPolarHBondContact O-CB 3.22Å; L46-K50 VanDerWaalsContact O-CG 3.29Å; L46-K50 WeakPolarHBondContact O-CG 3.31Å; L46-K50 PolarHBondContact O-N 3.3Å; N47-K50 PolarHBondContact O-N 3.43Å; K50-G52 VanDerWaalsContact C-N 3.35Å; K50-G52 PolarHBondContact O-N 2.67Å; K50-K53 PolarHBondContact O-N 3.26Å; K50-S54 PolarHBondContact O-N 3.22Å; K50-S54 PolarHBondContact O-OG 2.8Å
51	R	74.7	Confident	72.9	Confident	94 Å²	94	88.1 Å²	88.1	36%	0.355	43%	0.433	S	S	.	.	H	α-helix	trans	-58.5	-44.3	174.3	-73.1	173.7	-174.9	160.5	-4.8	111.2	N47 N48 K53 S54 L55 I456 G459	N47-R51 WeakPolarHBondContact O-CB 3.3Å; N47-R51 VanDerWaalsContact O-CG 3.25Å; N47-R51 WeakPolarHBondContact O-CG 3.24Å; N47-R51 PolarHBondContact O-N 3.4Å; N48-R51 PolarHBondContact O-N 3.14Å; N48-R51 PolarHBondContact OD1-NH1 3.45Å; R51-K53 PolarHBondContact O-N 2.76Å; R51-S54 PolarHBondContact O-N 2.85Å; R51-S54 PolarHBondContact O-OG 2.82Å; R51-L55 WeakPolarHBondContact O-CB 3.5Å; R51-L55 PolarHBondContact O-N 2.99Å; R51-I456 HydrophobicContact CB-CG2 4.08Å; R51-I456 HydrophobicContact CG-CG2 4.16Å; R51-G459 VanDerWaalsContact NH2-CA 3.35Å
52	G	76.8	Confident	73.4	Confident	44 Å²	44	89 Å²	89	45%	0.454	43%	0.434	S	S	.	.	H	α-helix	trans	-61.9	-43.2	176.5	0	0	0	0	0	112.9	N48 I49 K50 K56	N48-G52 PolarHBondContact O-N 3.39Å; I49-G52 PolarHBondContact O-N 3.09Å; K50-G52 VanDerWaalsContact C-N 3.35Å; K50-G52 PolarHBondContact O-N 2.67Å; G52-K56 WeakPolarHBondContact O-CB 3.31Å; G52-K56 PolarHBondContact O-N 2.76Å
53	K	80.1	Confident	73.1	Confident	141 Å²	141	88.6 Å²	88.6	61%	0.613	43%	0.433	S	S	*	.	H	α-helix	trans	-64.3	-44.1	176	-74.1	178.7	-179.2	178.8	0	112.2	I49 K50 R51 K56 L57	I49-K53 HydrophobicContact CG2-CD 4.39Å; I49-K53 WeakPolarHBondContact O-CG 3.4Å; I49-K53 PolarHBondContact O-N 2.69Å; K50-K53 PolarHBondContact O-N 3.26Å; R51-K53 PolarHBondContact O-N 2.76Å; K53-K56 PolarHBondContact O-N 3.13Å; K53-L57 WeakPolarHBondContact O-CG 3.47Å; K53-L57 PolarHBondContact O-N 3.15Å
54	S	77.3	Confident	72.7	Confident	9 Å²	9	86.1 Å²	86.1	6%	0.063	42%	0.424	C	S	.	.	H	α-helix	trans	-65.9	-41.7	178.2	62.1	0	0	0	0	111.8	K50 R51 K56 L57 I58	K50-S54 PolarHBondContact O-N 3.22Å; K50-S54 PolarHBondContact O-OG 2.8Å; R51-S54 PolarHBondContact O-N 2.85Å; R51-S54 PolarHBondContact O-OG 2.82Å; S54-K56 VanDerWaalsContact C-N 3.35Å; S54-K56 PolarHBondContact O-N 3.45Å; S54-L57 PolarHBondContact O-N 3.03Å; S54-I58 VanDerWaalsContact O-CG1 3.32Å; S54-I58 WeakPolarHBondContact O-CG1 3.33Å; S54-I58 PolarHBondContact O-N 3.2Å
55	L	79.2	Confident	72.2	Confident	45 Å²	45	82.9 Å²	82.9	24%	0.236	41%	0.414	C	S	.	.	H	α-helix	trans	-62.3	-41.1	176	-137.3	107.6	0	0	0	111.8	R51 I58 N59 I456	R51-L55 WeakPolarHBondContact O-CB 3.5Å; R51-L55 PolarHBondContact O-N 2.99Å; L55-I58 PolarHBondContact O-N 3.32Å; L55-N59 WeakPolarHBondContact O-CB 3.21Å; L55-N59 VanDerWaalsContact O-CG 3.25Å; L55-N59 PolarHBondContact O-N 3.19Å; L55-I456 HydrophobicContact CD1-CB 4.2Å; L55-I456 HydrophobicContact CD1-CG2 3.6Å
56	K	79.6	Confident	71.2	Confident	151 Å²	151	84.4 Å²	84.4	66%	0.657	42%	0.423	S	S	*	.	H	α-helix	trans	-63.8	-41.4	176	-168.9	175.5	-176.3	176.3	0	112	G52 K53 S54 N59 N60	G52-K56 WeakPolarHBondContact O-CB 3.31Å; G52-K56 PolarHBondContact O-N 2.76Å; K53-K56 PolarHBondContact O-N 3.13Å; S54-K56 VanDerWaalsContact C-N 3.35Å; S54-K56 PolarHBondContact O-N 3.45Å; K56-N59 PolarHBondContact O-N 3.24Å; K56-N60 PolarHBondContact O-N 2.99Å
57	L	76.6	Confident	69.9	Low	80 Å²	80	86.9 Å²	86.9	42%	0.419	43%	0.431	S	S	.	.	H	α-helix	trans	-63.7	-43.4	174.5	-75.3	166.4	0	0	0	111.9	K53 S54 N60 L61 P465	K53-L57 WeakPolarHBondContact O-CG 3.47Å; K53-L57 PolarHBondContact O-N 3.15Å; S54-L57 PolarHBondContact O-N 3.03Å; L57-N60 WeakPolarHBondContact O-CB 3.49Å; L57-N60 PolarHBondContact O-N 3.08Å; L57-L61 WeakPolarHBondContact O-CG 3.4Å; L57-L61 PolarHBondContact O-N 3.08Å; L57-P465 HydrophobicContact CD1-CB 4.14Å
58	I	75.6	Confident	68.9	Low	2 Å²	2	86.8 Å²	86.8	1%	0.01	43%	0.425	C	S	.	.	H	α-helix	trans	-63	-44.5	177	-72.5	166.8	0	0	0	111.4	S54 L55 N60 L61 Q62 I449 E452 I456 F464	S54-I58 VanDerWaalsContact O-CG1 3.32Å; S54-I58 WeakPolarHBondContact O-CG1 3.33Å; S54-I58 PolarHBondContact O-N 3.2Å; L55-I58 PolarHBondContact O-N 3.32Å; I58-N60 PolarHBondContact O-N 2.81Å; I58-L61 WeakPolarHBondContact O-CB 3.01Å; I58-L61 PolarHBondContact O-N 3.42Å; I58-L61 VanDerWaalsContact O-N 3.08Å; I58-Q62 PolarHBondContact O-N 2.94Å; I58-I449 HydrophobicContact CG2-CG2 3.53Å; I58-E452 HydrophobicContact CD1-CB 4.26Å; I58-I456 HydrophobicContact CD1-CD1 3.23Å; I58-F464 HydrophobicContact CD1-CD2 3.83Å; I58-F464 HydrophobicContact CD1-CE2 4.39Å; I58-F464 HydrophobicContact CD1-CG 4.4Å; I58-F464 HydrophobicContact CG1-CD2 3.82Å; I58-F464 HydrophobicContact CG1-CE2 4.14Å; I58-F464 HydrophobicContact CG1-CG 4.17Å
59	N	76.6	Confident	67.8	Low	67 Å²	67	87.4 Å²	87.4	36%	0.358	43%	0.428	S	S	.	.	H	α-helix	trans	-62.6	-33.9	175.9	-71.1	-13.1	0	0	0	111.7	L55 K56 Q62	L55-N59 WeakPolarHBondContact O-CB 3.21Å; L55-N59 VanDerWaalsContact O-CG 3.25Å; L55-N59 PolarHBondContact O-N 3.19Å; K56-N59 PolarHBondContact O-N 3.24Å; N59-Q62 PolarHBondContact O-N 2.94Å
60	N	74.4	Confident	66.6	Low	80 Å²	80	87.2 Å²	87.2	43%	0.428	43%	0.427	S	S	.	.	H	α-helix	trans	-68.9	-35.3	172.8	-77.1	-18.5	0	0	0	112.7	K56 L57 I58 Q62 K63	K56-N60 PolarHBondContact O-N 2.99Å; L57-N60 WeakPolarHBondContact O-CB 3.49Å; L57-N60 PolarHBondContact O-N 3.08Å; I58-N60 PolarHBondContact O-N 2.81Å; N60-Q62 PolarHBondContact O-N 3Å; N60-K63 WeakPolarHBondContact O-CB 3.19Å; N60-K63 PolarHBondContact O-N 2.94Å
61	L	67.8	Low	65.3	Low	73 Å²	73	83.4 Å²	83.4	38%	0.382	41%	0.413	S	S	.	.	H	α-helix	trans	-65.7	-23.1	175.2	-71.8	170.1	0	0	0	112.8	L57 I58 K63 F464	L57-L61 WeakPolarHBondContact O-CG 3.4Å; L57-L61 PolarHBondContact O-N 3.08Å; I58-L61 WeakPolarHBondContact O-CB 3.01Å; I58-L61 PolarHBondContact O-N 3.42Å; I58-L61 VanDerWaalsContact O-N 3.08Å; L61-K63 VanDerWaalsContact C-N 3.34Å; L61-F464 HydrophobicContact CD1-CD1 4.26Å; L61-F464 HydrophobicContact CD1-CE1 3.55Å; L61-F464 HydrophobicContact CD1-CZ 3.87Å
62	Q	65.4	Low	64.2	Low	97 Å²	97	81.3 Å²	81.3	45%	0.453	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-12.9	170.9	-75	-173.3	-32	0	0	113.7	I58 N59 N60 L64 I449	I58-Q62 PolarHBondContact O-N 2.94Å; N59-Q62 PolarHBondContact O-N 2.94Å; N60-Q62 PolarHBondContact O-N 3Å; Q62-L64 VanDerWaalsContact O-CD1 3.26Å; Q62-L64 WeakPolarHBondContact O-CD1 3.49Å; Q62-L64 PolarHBondContact O-N 3.41Å; Q62-I449 HydrophobicContact CG-CG2 4.34Å
63	K	56.7	Low	63.1	Low	159 Å²	159	86 Å²	86	69%	0.691	41%	0.414	S	S	*	.	S	Bend	trans	-67.2	104.4	173.5	-69.6	-175.9	177.4	179.3	0	108.4	N60 L61 S65	N60-K63 WeakPolarHBondContact O-CB 3.19Å; N60-K63 PolarHBondContact O-N 2.94Å; L61-K63 VanDerWaalsContact C-N 3.34Å; K63-S65 PolarHBondContact O-N 3.33Å
64	L	52	Low	61.9	Low	85 Å²	85	84 Å²	84	45%	0.445	41%	0.409	S	S	.	.			trans	-52.7	134.5	-178.1	-83.5	66	0	0	0	110.6	Q62 Y68 I69	Q62-L64 VanDerWaalsContact O-CD1 3.26Å; Q62-L64 WeakPolarHBondContact O-CD1 3.49Å; Q62-L64 PolarHBondContact O-N 3.41Å; L64-Y68 HydrophobicContact CB-CD1 4.18Å; L64-Y68 HydrophobicContact CD2-CD1 3.41Å; L64-Y68 VanDerWaalsContact CD2-CD1 3.41Å; L64-Y68 HydrophobicContact CD2-CE1 3.68Å; L64-Y68 HydrophobicContact CG-CD1 3.48Å; L64-Y68 VanDerWaalsContact CG-CD1 3.48Å; L64-Y68 HydrophobicContact CG-CE1 3.87Å; L64-I69 HydrophobicContact CB-CD1 4.25Å; L64-I69 HydrophobicContact CB-CG1 3.75Å; L64-I69 HydrophobicContact CD2-CG1 3.98Å
65	S	57.3	Low	60.7	Low	43 Å²	43	87 Å²	87	30%	0.301	42%	0.423	S	S	.	.			trans	-63.6	144.6	168	58.6	0	0	0	0	109.9	K63 F67 Y68 I69 T478	K63-S65 PolarHBondContact O-N 3.33Å; S65-F67 PolarHBondContact O-N 3.33Å; S65-F67 VanDerWaalsContact O-N 3.08Å; S65-Y68 CarbonylContact O-C 3.58Å; S65-Y68 WeakPolarHBondContact O-CA 3.35Å; S65-Y68 PolarHBondContact O-N 2.97Å; S65-Y68 WeakPolarHBondContact OG-CB 3.31Å; S65-I69 PolarHBondContact O-N 2.96Å; S65-T478 PolarHBondContact OG-O 2.86Å
66	I	53	Low	59.5	Low	137 Å²	137	88 Å²	88	70%	0.703	43%	0.429	S	S	*	.	H	α-helix	trans	-51.2	-36.4	-179.8	-65.4	165.3	0	0	0	111.3	I69 L70	I66-I69 WeakPolarHBondContact O-CB 3.43Å; I66-I69 PolarHBondContact O-N 2.94Å; I66-L70 HydrophobicContact CG2-CD1 4.17Å; I66-L70 PolarHBondContact O-N 2.8Å
67	F	46.7	Very low	58.5	Low	145 Å²	145	83.9 Å²	83.9	64%	0.636	41%	0.413	S	S	*	.	H	α-helix	trans	-71.3	-34.4	177.5	-148.4	-89.7	0	0	0	113.2	S65 L70 L71	S65-F67 PolarHBondContact O-N 3.33Å; S65-F67 VanDerWaalsContact O-N 3.08Å; F67-L70 PolarHBondContact O-N 3.35Å; F67-L71 VanDerWaalsContact O-CB 3.25Å; F67-L71 WeakPolarHBondContact O-CB 3.23Å; F67-L71 PolarHBondContact O-N 3.23Å
68	Y	49.5	Very low	57.5	Low	70 Å²	70	87.4 Å²	87.4	28%	0.275	42%	0.422	S	S	.	.	H	α-helix	trans	-72.7	-31.4	172	-173.3	-93.1	0	0	0	111.2	L64 S65 N72 T478 I629	L64-Y68 HydrophobicContact CB-CD1 4.18Å; L64-Y68 HydrophobicContact CD2-CD1 3.41Å; L64-Y68 VanDerWaalsContact CD2-CD1 3.41Å; L64-Y68 HydrophobicContact CD2-CE1 3.68Å; L64-Y68 HydrophobicContact CG-CD1 3.48Å; L64-Y68 VanDerWaalsContact CG-CD1 3.48Å; L64-Y68 HydrophobicContact CG-CE1 3.87Å; S65-Y68 CarbonylContact O-C 3.58Å; S65-Y68 WeakPolarHBondContact O-CA 3.35Å; S65-Y68 PolarHBondContact O-N 2.97Å; S65-Y68 WeakPolarHBondContact OG-CB 3.31Å; Y68-N72 HydrophobicContact CD1-CB 4.23Å; Y68-N72 HydrophobicContact CE1-CB 4.1Å; Y68-N72 WeakPolarHBondContact O-CA 3.34Å; Y68-N72 WeakPolarHBondContact O-CB 3.28Å; Y68-N72 PolarHBondContact O-N 3.3Å; Y68-T478 HydrophobicContact CD1-CG2 4.22Å; Y68-T478 HydrophobicContact CD2-CG2 3.39Å; Y68-T478 HydrophobicContact CE2-CG2 3.76Å; Y68-T478 HydrophobicContact CG-CG2 3.63Å; Y68-I629 HydrophobicContact CE2-CD1 4.48Å
69	I	52	Low	56.4	Low	88 Å²	88	90.8 Å²	90.8	45%	0.451	44%	0.44	S	S	.	.	H	α-helix	trans	-61.5	-51.3	167.9	-62.6	172.3	0	0	0	109.1	L64 S65 I66 L71 N72 Y73	L64-I69 HydrophobicContact CB-CD1 4.25Å; L64-I69 HydrophobicContact CB-CG1 3.75Å; L64-I69 HydrophobicContact CD2-CG1 3.98Å; S65-I69 PolarHBondContact O-N 2.96Å; I66-I69 WeakPolarHBondContact O-CB 3.43Å; I66-I69 PolarHBondContact O-N 2.94Å; I69-L71 PolarHBondContact O-N 3.48Å; I69-N72 PolarHBondContact O-N 2.88Å; I69-Y73 WeakPolarHBondContact O-CA 3.39Å; I69-Y73 WeakPolarHBondContact O-CB 2.98Å; I69-Y73 PolarHBondContact O-N 2.89Å
70	L	50.9	Low	55.5	Low	91 Å²	91	91.6 Å²	91.6	48%	0.476	44%	0.443	S	S	.	.	H	α-helix	trans	-59.8	-44.1	177.8	-86.9	150.3	0	0	0	112.9	I66 F67 Y73 I74	I66-L70 HydrophobicContact CG2-CD1 4.17Å; I66-L70 PolarHBondContact O-N 2.8Å; F67-L70 PolarHBondContact O-N 3.35Å; L70-Y73 CarbonylContact O-C 3.56Å; L70-Y73 PolarHBondContact O-N 3.08Å; L70-I74 WeakPolarHBondContact O-CB 3.32Å; L70-I74 WeakPolarHBondContact O-CD1 3.5Å; L70-I74 WeakPolarHBondContact O-CG1 3.48Å; L70-I74 PolarHBondContact O-N 3.41Å
71	L	48.3	Very low	54.6	Low	50 Å²	50	92 Å²	92	26%	0.262	44%	0.444	S	S	.	.	H	α-helix	trans	-73.5	-41.3	-178.8	-170.8	66.2	0	0	0	112.2	F67 I69 Y73 I74 I75 L626	F67-L71 VanDerWaalsContact O-CB 3.25Å; F67-L71 WeakPolarHBondContact O-CB 3.23Å; F67-L71 PolarHBondContact O-N 3.23Å; I69-L71 PolarHBondContact O-N 3.48Å; L71-Y73 VanDerWaalsContact C-N 3.27Å; L71-I74 PolarHBondContact O-N 2.66Å; L71-I75 HydrophobicContact CG-CD1 4.2Å; L71-I75 WeakPolarHBondContact O-CB 3.34Å; L71-I75 WeakPolarHBondContact O-CG1 3.28Å; L71-I75 PolarHBondContact O-N 2.8Å; L71-L626 HydrophobicContact CD2-CD2 3.61Å
72	N	51.5	Low	54	Low	50 Å²	50	92 Å²	92	27%	0.267	44%	0.44	S	S	.	.	H	α-helix	trans	-69.7	-29.4	172.9	-160.7	23.7	0	0	0	110.5	Y68 I69 N76	Y68-N72 HydrophobicContact CD1-CB 4.23Å; Y68-N72 HydrophobicContact CE1-CB 4.1Å; Y68-N72 WeakPolarHBondContact O-CA 3.34Å; Y68-N72 WeakPolarHBondContact O-CB 3.28Å; Y68-N72 PolarHBondContact O-N 3.3Å; I69-N72 PolarHBondContact O-N 2.88Å; N72-N76 WeakPolarHBondContact O-CA 3.35Å; N72-N76 WeakPolarHBondContact O-CB 3.46Å; N72-N76 PolarHBondContact O-N 2.97Å; N72-N76 PolarHBondContact O-ND2 2.89Å
73	Y	54.9	Low	53.5	Low	143 Å²	143	91.2 Å²	91.2	56%	0.561	44%	0.439	S	S	*	.	H	α-helix	trans	-74.3	-33.5	171.9	-167.8	-106.9	0	0	0	111.1	I69 L70 L71 N76 I77	I69-Y73 WeakPolarHBondContact O-CA 3.39Å; I69-Y73 WeakPolarHBondContact O-CB 2.98Å; I69-Y73 PolarHBondContact O-N 2.89Å; L70-Y73 CarbonylContact O-C 3.56Å; L70-Y73 PolarHBondContact O-N 3.08Å; L71-Y73 VanDerWaalsContact C-N 3.27Å; Y73-N76 CarbonylContact O-C 3.57Å; Y73-I77 HydrophobicContact CD1-CD1 3.38Å; Y73-I77 HydrophobicContact CD1-CG1 4.04Å; Y73-I77 HydrophobicContact CE1-CD1 3.15Å; Y73-I77 HydrophobicContact CE1-CG1 3.94Å; Y73-I77 HydrophobicContact CG-CD1 4.27Å; Y73-I77 HydrophobicContact CG-CG1 4.48Å; Y73-I77 WeakPolarHBondContact O-CA 3.29Å; Y73-I77 WeakPolarHBondContact O-CB 3.4Å; Y73-I77 WeakPolarHBondContact O-CG1 3.45Å; Y73-I77 PolarHBondContact O-N 2.95Å
74	I	55.5	Low	53.4	Low	99 Å²	99	90.4 Å²	90.4	51%	0.508	44%	0.435	S	S	.	.	H	α-helix	trans	-70.9	-42.9	171.4	-73	161.3	0	0	0	110.3	L70 L71 I77 Y78	L70-I74 WeakPolarHBondContact O-CB 3.32Å; L70-I74 WeakPolarHBondContact O-CD1 3.5Å; L70-I74 WeakPolarHBondContact O-CG1 3.48Å; L70-I74 PolarHBondContact O-N 3.41Å; L71-I74 PolarHBondContact O-N 2.66Å; I74-I77 PolarHBondContact O-N 3.07Å; I74-Y78 VanDerWaalsContact O-CB 3.24Å; I74-Y78 WeakPolarHBondContact O-CB 3.34Å; I74-Y78 PolarHBondContact O-N 3.15Å
75	I	52.2	Low	53.5	Low	72 Å²	72	89.1 Å²	89.1	37%	0.369	43%	0.428	S	S	.	.	H	α-helix	trans	-65	-44.9	174.4	-68.9	165.1	0	0	0	109.6	L71 Y78 L79	L71-I75 HydrophobicContact CG-CD1 4.2Å; L71-I75 WeakPolarHBondContact O-CB 3.34Å; L71-I75 WeakPolarHBondContact O-CG1 3.28Å; L71-I75 PolarHBondContact O-N 2.8Å; I75-Y78 PolarHBondContact O-N 3.16Å; I75-L79 HydrophobicContact CG2-CD1 3.89Å; I75-L79 HydrophobicContact CG2-CG 4.44Å; I75-L79 VanDerWaalsContact O-CB 3.32Å; I75-L79 WeakPolarHBondContact O-CB 3.33Å; I75-L79 WeakPolarHBondContact O-CG 3.02Å; I75-L79 PolarHBondContact O-N 3.35Å
76	N	52.2	Low	53.2	Low	67 Å²	67	93.2 Å²	93.2	36%	0.358	44%	0.438	S	S	.	.	H	α-helix	trans	-68.4	-35.2	175.3	-75.7	-24.5	0	0	0	111.7	N72 Y73 L79 I80	N72-N76 WeakPolarHBondContact O-CA 3.35Å; N72-N76 WeakPolarHBondContact O-CB 3.46Å; N72-N76 PolarHBondContact O-N 2.97Å; N72-N76 PolarHBondContact O-ND2 2.89Å; Y73-N76 CarbonylContact O-C 3.57Å; N76-L79 CarbonylContact O-C 3.59Å; N76-L79 PolarHBondContact O-N 3.45Å; N76-I80 HydrophobicContact CB-CD1 4.42Å; N76-I80 WeakPolarHBondContact O-CA 3.22Å; N76-I80 WeakPolarHBondContact O-CB 3.38Å; N76-I80 WeakPolarHBondContact O-CD1 3.32Å; N76-I80 WeakPolarHBondContact O-CG1 3.19Å; N76-I80 PolarHBondContact O-N 2.92Å
77	I	58.5	Low	53.3	Low	63 Å²	63	91.2 Å²	91.2	32%	0.323	43%	0.428	S	S	.	.	H	α-helix	trans	-65.6	-46.1	172.2	-84.7	176	0	0	0	108.7	Y73 I74 L79 I80 I81	Y73-I77 HydrophobicContact CD1-CD1 3.38Å; Y73-I77 HydrophobicContact CD1-CG1 4.04Å; Y73-I77 HydrophobicContact CE1-CD1 3.15Å; Y73-I77 HydrophobicContact CE1-CG1 3.94Å; Y73-I77 HydrophobicContact CG-CD1 4.27Å; Y73-I77 HydrophobicContact CG-CG1 4.48Å; Y73-I77 WeakPolarHBondContact O-CA 3.29Å; Y73-I77 WeakPolarHBondContact O-CB 3.4Å; Y73-I77 WeakPolarHBondContact O-CG1 3.45Å; Y73-I77 PolarHBondContact O-N 2.95Å; I74-I77 PolarHBondContact O-N 3.07Å; I77-L79 VanDerWaalsContact C-N 3.27Å; I77-L79 PolarHBondContact O-N 3.44Å; I77-I80 CarbonylContact O-C 3.21Å; I77-I80 PolarHBondContact O-N 3.26Å; I77-I81 HydrophobicContact CG2-CD1 3.42Å; I77-I81 VanDerWaalsContact CG2-CD1 3.42Å; I77-I81 HydrophobicContact CG2-CG1 4.03Å; I77-I81 WeakPolarHBondContact O-CA 3.45Å; I77-I81 WeakPolarHBondContact O-CB 3.25Å; I77-I81 WeakPolarHBondContact O-CG1 3.3Å; I77-I81 PolarHBondContact O-N 2.81Å
78	Y	56	Low	53.3	Low	155 Å²	155	89.9 Å²	89.9	61%	0.608	43%	0.427	S	S	*	.	H	α-helix	trans	-59.5	-42.3	175.8	176.4	-96	0	0	0	110.2	I74 I75 Y82	I74-Y78 VanDerWaalsContact O-CB 3.24Å; I74-Y78 WeakPolarHBondContact O-CB 3.34Å; I74-Y78 PolarHBondContact O-N 3.15Å; I75-Y78 PolarHBondContact O-N 3.16Å; Y78-Y82 WeakPolarHBondContact O-CB 3.44Å; Y78-Y82 PolarHBondContact O-N 3.36Å
79	L	54	Low	53.1	Low	73 Å²	73	92.7 Å²	92.7	38%	0.382	44%	0.441	S	S	.	.	H	α-helix	trans	-71.8	-34.2	176	-71.4	170.1	0	0	0	113.1	I75 N76 I77 N83	I75-L79 HydrophobicContact CG2-CD1 3.89Å; I75-L79 HydrophobicContact CG2-CG 4.44Å; I75-L79 VanDerWaalsContact O-CB 3.32Å; I75-L79 WeakPolarHBondContact O-CB 3.33Å; I75-L79 WeakPolarHBondContact O-CG 3.02Å; I75-L79 PolarHBondContact O-N 3.35Å; N76-L79 CarbonylContact O-C 3.59Å; N76-L79 PolarHBondContact O-N 3.45Å; I77-L79 VanDerWaalsContact C-N 3.27Å; I77-L79 PolarHBondContact O-N 3.44Å; L79-N83 WeakPolarHBondContact O-CB 3.38Å; L79-N83 PolarHBondContact O-N 2.8Å; L79-N83 PolarHBondContact O-ND2 2.85Å
80	I	57.1	Low	52.9	Low	84 Å²	84	96.7 Å²	96.7	43%	0.431	45%	0.454	S	S	.	.	H	α-helix	trans	-75.2	-37.6	176.5	-74.4	162.5	0	0	0	109.3	N76 I77 K84	N76-I80 HydrophobicContact CB-CD1 4.42Å; N76-I80 WeakPolarHBondContact O-CA 3.22Å; N76-I80 WeakPolarHBondContact O-CB 3.38Å; N76-I80 WeakPolarHBondContact O-CD1 3.32Å; N76-I80 WeakPolarHBondContact O-CG1 3.19Å; N76-I80 PolarHBondContact O-N 2.92Å; I77-I80 CarbonylContact O-C 3.21Å; I77-I80 PolarHBondContact O-N 3.26Å; I80-K84 HydrophobicContact CG2-CD 3.97Å; I80-K84 HydrophobicContact CG2-CG 4.11Å; I80-K84 WeakPolarHBondContact O-CA 3.42Å; I80-K84 WeakPolarHBondContact O-CB 3.48Å; I80-K84 VanDerWaalsContact O-CG 3.3Å; I80-K84 WeakPolarHBondContact O-CG 3.47Å; I80-K84 PolarHBondContact O-N 3Å
81	I	55.6	Low	52.6	Low	87 Å²	87	102 Å²	102	45%	0.446	47%	0.469	S	S	.	.	H	α-helix	trans	-66.6	-46.7	171.5	-73	173.8	0	0	0	108	I77 N83 K84 I85	I77-I81 HydrophobicContact CG2-CD1 3.42Å; I77-I81 VanDerWaalsContact CG2-CD1 3.42Å; I77-I81 HydrophobicContact CG2-CG1 4.03Å; I77-I81 WeakPolarHBondContact O-CA 3.45Å; I77-I81 WeakPolarHBondContact O-CB 3.25Å; I77-I81 WeakPolarHBondContact O-CG1 3.3Å; I77-I81 PolarHBondContact O-N 2.81Å; I81-N83 VanDerWaalsContact C-N 3.35Å; I81-N83 PolarHBondContact O-N 3.35Å; I81-K84 PolarHBondContact O-N 3.03Å; I81-I85 HydrophobicContact CG2-CD1 3.45Å; I81-I85 VanDerWaalsContact CG2-CD1 3.45Å; I81-I85 HydrophobicContact CG2-CG1 4.11Å; I81-I85 WeakPolarHBondContact O-CA 3.44Å; I81-I85 WeakPolarHBondContact O-CB 3.4Å; I81-I85 WeakPolarHBondContact O-CG1 3.39Å; I81-I85 PolarHBondContact O-N 3.34Å
82	Y	55.1	Low	52.4	Low	75 Å²	75	105 Å²	105	29%	0.294	49%	0.485	S	S	.	.	H	α-helix	trans	-57	-48.1	173.9	-178.7	-95.3	0	0	0	111.2	Y78 Y86 F111	Y78-Y82 WeakPolarHBondContact O-CB 3.44Å; Y78-Y82 PolarHBondContact O-N 3.36Å; Y82-Y86 WeakPolarHBondContact O-CB 3.48Å; Y82-Y86 PolarHBondContact O-N 2.99Å; Y82-F111 HydrophobicContact CD2-CE1 4.47Å; Y82-F111 HydrophobicContact CE2-CD1 4.32Å; Y82-F111 HydrophobicContact CE2-CE1 4.35Å
83	N	54.4	Low	51.8	Low	79 Å²	79	111.8 Å²	111.8	42%	0.422	51%	0.512	S	S	.	.	H	α-helix	trans	-73.2	-33.6	179.5	-74.1	-16.1	0	0	0	113	L79 I81 Y86 I87	L79-N83 WeakPolarHBondContact O-CB 3.38Å; L79-N83 PolarHBondContact O-N 2.8Å; L79-N83 PolarHBondContact O-ND2 2.85Å; I81-N83 VanDerWaalsContact C-N 3.35Å; I81-N83 PolarHBondContact O-N 3.35Å; N83-Y86 CarbonylContact O-C 3.54Å; N83-Y86 WeakPolarHBondContact O-CB 3.38Å; N83-Y86 PolarHBondContact O-N 3.47Å; N83-I87 WeakPolarHBondContact O-CB 3.39Å; N83-I87 WeakPolarHBondContact O-CD1 3.35Å; N83-I87 WeakPolarHBondContact O-CG1 3.49Å; N83-I87 PolarHBondContact O-N 2.86Å
84	K	54.5	Low	50.8	Low	142 Å²	142	115.9 Å²	115.9	62%	0.617	53%	0.527	S	S	*	.	H	α-helix	trans	-76.2	-39.5	176.4	-85.9	-173.6	170.4	-175.1	0	110.6	I80 I81 Y86 I87 L88	I80-K84 HydrophobicContact CG2-CD 3.97Å; I80-K84 HydrophobicContact CG2-CG 4.11Å; I80-K84 WeakPolarHBondContact O-CA 3.42Å; I80-K84 WeakPolarHBondContact O-CB 3.48Å; I80-K84 VanDerWaalsContact O-CG 3.3Å; I80-K84 WeakPolarHBondContact O-CG 3.47Å; I80-K84 PolarHBondContact O-N 3Å; I81-K84 PolarHBondContact O-N 3.03Å; K84-Y86 VanDerWaalsContact C-N 3.27Å; K84-I87 CarbonylContact O-C 3.51Å; K84-I87 PolarHBondContact O-N 2.94Å; K84-L88 WeakPolarHBondContact O-CA 3.29Å; K84-L88 WeakPolarHBondContact O-CB 3.33Å; K84-L88 PolarHBondContact O-N 2.95Å
85	I	55.1	Low	50	Low	58 Å²	58	117.6 Å²	117.6	30%	0.297	54%	0.537	S	S	.	.	H	α-helix	trans	-59.4	-45.6	168.3	-70.8	172.3	0	0	0	108.1	I81 I87 L88 F89 F111	I81-I85 HydrophobicContact CG2-CD1 3.45Å; I81-I85 VanDerWaalsContact CG2-CD1 3.45Å; I81-I85 HydrophobicContact CG2-CG1 4.11Å; I81-I85 WeakPolarHBondContact O-CA 3.44Å; I81-I85 WeakPolarHBondContact O-CB 3.4Å; I81-I85 WeakPolarHBondContact O-CG1 3.39Å; I81-I85 PolarHBondContact O-N 3.34Å; I85-I87 VanDerWaalsContact C-N 3.35Å; I85-I87 PolarHBondContact O-N 3.06Å; I85-L88 PolarHBondContact O-N 2.87Å; I85-F89 HydrophobicContact CG2-CD2 3.67Å; I85-F89 HydrophobicContact CG2-CE2 3.9Å; I85-F89 WeakPolarHBondContact O-CB 3.06Å; I85-F89 VanDerWaalsContact O-CD2 3.32Å; I85-F89 WeakPolarHBondContact O-CD2 3.49Å; I85-F89 PolarHBondContact O-N 3.26Å; I85-F111 HydrophobicContact CG2-CE2 4.22Å; I85-F111 HydrophobicContact CG2-CZ 3.93Å
86	Y	50.4	Low	49.4	Very low	129 Å²	129	120.7 Å²	120.7	51%	0.506	55%	0.553	S	S	.	*	H	α-helix	trans	-57.1	-41.2	173.7	175.4	-95.7	0	0	0	113.3	Y82 N83 K84 K90	Y82-Y86 WeakPolarHBondContact O-CB 3.48Å; Y82-Y86 PolarHBondContact O-N 2.99Å; N83-Y86 CarbonylContact O-C 3.54Å; N83-Y86 WeakPolarHBondContact O-CB 3.38Å; N83-Y86 PolarHBondContact O-N 3.47Å; K84-Y86 VanDerWaalsContact C-N 3.27Å; Y86-K90 PolarHBondContact O-N 2.92Å; Y86-K90 VanDerWaalsContact O-N 3.12Å
87	I	54.9	Low	49	Very low	95 Å²	95	126.7 Å²	126.7	49%	0.487	58%	0.576	S	S	.	*	H	α-helix	trans	-77	-36.4	176.6	-68	162.3	0	0	0	112.3	N83 K84 I85 F89 K90 Y91	N83-I87 WeakPolarHBondContact O-CB 3.39Å; N83-I87 WeakPolarHBondContact O-CD1 3.35Å; N83-I87 WeakPolarHBondContact O-CG1 3.49Å; N83-I87 PolarHBondContact O-N 2.86Å; K84-I87 CarbonylContact O-C 3.51Å; K84-I87 PolarHBondContact O-N 2.94Å; I85-I87 VanDerWaalsContact C-N 3.35Å; I85-I87 PolarHBondContact O-N 3.06Å; I87-F89 VanDerWaalsContact C-N 3.32Å; I87-K90 VanDerWaalsContact O-CB 3.23Å; I87-K90 WeakPolarHBondContact O-CB 3.38Å; I87-K90 PolarHBondContact O-N 3.29Å; I87-Y91 PolarHBondContact O-N 3.44Å
88	L	46.1	Very low	48.2	Very low	118 Å²	118	133.4 Å²	133.4	62%	0.618	60%	0.599	S	S	*	*	H	α-helix	trans	-66.2	-39.4	178.1	-161.3	85.7	0	0	0	109.8	K84 I85 Y91	K84-L88 WeakPolarHBondContact O-CA 3.29Å; K84-L88 WeakPolarHBondContact O-CB 3.33Å; K84-L88 PolarHBondContact O-N 2.95Å; I85-L88 PolarHBondContact O-N 2.87Å; L88-Y91 WeakPolarHBondContact O-CB 3.41Å; L88-Y91 PolarHBondContact O-N 3.17Å
89	F	47	Very low	47.6	Very low	129 Å²	129	132.4 Å²	132.4	57%	0.566	60%	0.603	S	S	*	*	H	α-helix	trans	-73.4	-26.4	173.1	-87.7	-81.1	0	0	0	113.1	I85 I87 Y91 I92	I85-F89 HydrophobicContact CG2-CD2 3.67Å; I85-F89 HydrophobicContact CG2-CE2 3.9Å; I85-F89 WeakPolarHBondContact O-CB 3.06Å; I85-F89 VanDerWaalsContact O-CD2 3.32Å; I85-F89 WeakPolarHBondContact O-CD2 3.49Å; I85-F89 PolarHBondContact O-N 3.26Å; I87-F89 VanDerWaalsContact C-N 3.32Å; F89-Y91 PolarHBondContact O-N 3.21Å; F89-I92 HydrophobicContact CD1-CD1 4.45Å; F89-I92 HydrophobicContact CE1-CD1 4.5Å; F89-I92 PolarHBondContact O-N 3.3Å
90	K	45.9	Very low	47.3	Very low	171 Å²	171	133.2 Å²	133.2	74%	0.743	61%	0.607	S	S	*	*	H	α-helix	trans	-59.6	-25	168.4	-169.7	-175.5	176	-175	0	112.3	Y86 I87	Y86-K90 PolarHBondContact O-N 2.92Å; Y86-K90 VanDerWaalsContact O-N 3.12Å; I87-K90 VanDerWaalsContact O-CB 3.23Å; I87-K90 WeakPolarHBondContact O-CB 3.38Å; I87-K90 PolarHBondContact O-N 3.29Å
91	Y	46.3	Very low	46.6	Very low	202 Å²	202	134.9 Å²	134.9	79%	0.792	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-18.3	179.2	-112.6	-88.2	0	0	0	114.1	I87 L88 F89 K93	I87-Y91 PolarHBondContact O-N 3.44Å; L88-Y91 WeakPolarHBondContact O-CB 3.41Å; L88-Y91 PolarHBondContact O-N 3.17Å; F89-Y91 PolarHBondContact O-N 3.21Å; Y91-K93 PolarHBondContact O-N 3.44Å; Y91-K93 VanDerWaalsContact O-N 3.16Å
92	I	43	Very low	46	Very low	114 Å²	114	138.3 Å²	138.3	59%	0.585	64%	0.635	S	S	*	*	S	Bend	trans	-85.9	96.6	-178.8	-65.1	172.5	0	0	0	109.4	F89	F89-I92 HydrophobicContact CD1-CD1 4.45Å; F89-I92 HydrophobicContact CE1-CD1 4.5Å; F89-I92 PolarHBondContact O-N 3.3Å
93	K	38.4	Very low	45.4	Very low	192 Å²	192	137.3 Å²	137.3	84%	0.835	63%	0.634	S	S	*	*			trans	65.7	90	162.7	-89.6	-178.5	171.7	179.1	0	119.3	Y91	Y91-K93 PolarHBondContact O-N 3.44Å; Y91-K93 VanDerWaalsContact O-N 3.16Å
94	W	35.1	Very low	45.1	Very low	230 Å²	230	140.1 Å²	140.1	87%	0.871	64%	0.642	S	S	*	*				22	131.1	121.1	-82.4	62.5	0	0	0	121.4
95	N	38.6	Very low	44.7	Very low	135 Å²	135	139.9 Å²	139.9	72%	0.722	65%	0.647	S	S	*	*			trans	64.7	95.4	156.3	-89.3	-5	0	0	0	119.4
96	I	38.6	Very low	44.6	Very low	137 Å²	137	141.6 Å²	141.6	70%	0.703	66%	0.657	S	S	*	*				-176.6	106.9	117.1	-85.9	150.1	0	0	0	106.8	Y98 L99	I96-Y98 PolarHBondContact O-N 3.04Å; I96-L99 HydrophobicContact CG2-CB 4.33Å
97	F	43.9	Very low	44.7	Very low	192 Å²	192	141 Å²	141	84%	0.842	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	-11.2	-158.3	-171.8	-106	0	0	0	115.5
98	Y	43.2	Very low	44.9	Very low	205 Å²	205	140.4 Å²	140.4	80%	0.804	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.8	-28.2	-174.2	-115	-94.3	0	0	0	115.1	I96 L100	I96-Y98 PolarHBondContact O-N 3.04Å; Y98-L100 VanDerWaalsContact C-N 3.28Å; Y98-L100 PolarHBondContact O-N 3.45Å
99	L	42.8	Very low	45.5	Very low	133 Å²	133	138.3 Å²	138.3	70%	0.696	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-23	176.6	-151.7	79.8	0	0	0	112	I96	I96-L99 HydrophobicContact CG2-CB 4.33Å
100	L	47.3	Very low	46.2	Very low	90 Å²	90	136 Å²	136	47%	0.471	63%	0.631	S	S	.	*	H	α-helix	trans	-80.9	-15.9	-174.3	-149.2	96.5	0	0	0	114.3	Y98 L102 I103 K104 Y107	Y98-L100 VanDerWaalsContact C-N 3.28Å; Y98-L100 PolarHBondContact O-N 3.45Å; L100-L102 VanDerWaalsContact C-N 3.33Å; L100-L102 PolarHBondContact O-N 2.98Å; L100-I103 CarbonylContact O-C 3.6Å; L100-I103 PolarHBondContact O-N 2.95Å; L100-I103 VanDerWaalsContact O-N 3.12Å; L100-K104 WeakPolarHBondContact O-CB 3.45Å; L100-K104 PolarHBondContact O-N 3.41Å; L100-Y107 HydrophobicContact CD1-CE2 3.93Å; L100-Y107 HydrophobicContact CG-CE2 4.4Å
101	L	42.4	Very low	46.9	Very low	120 Å²	120	131.6 Å²	131.6	63%	0.628	61%	0.612	S	S	*	*	H	α-helix	trans	-67.3	-37.4	-180	-161.6	84.1	0	0	0	111.4	I103 K104	L101-I103 VanDerWaalsContact C-N 3.3Å; L101-K104 HydrophobicContact CD1-CD 3.95Å; L101-K104 VanDerWaalsContact O-CB 3.23Å; L101-K104 WeakPolarHBondContact O-CB 3.48Å; L101-K104 PolarHBondContact O-N 3.22Å
102	L	42.1	Very low	47.6	Very low	158 Å²	158	123 Å²	123	83%	0.827	59%	0.585	S	S	*	*	H	α-helix	trans	-68.1	-30	171.6	-97.7	143.3	0	0	0	112	L100	L100-L102 VanDerWaalsContact C-N 3.33Å; L100-L102 PolarHBondContact O-N 2.98Å
103	I	42.7	Very low	48.6	Very low	55 Å²	55	120.2 Å²	120.2	28%	0.282	57%	0.571	S	S	.	*	H	α-helix	trans	-84.1	-13.8	174.6	-35.9	175.4	0	0	0	112	L100 L101 L105 N106 Y107	L100-I103 CarbonylContact O-C 3.6Å; L100-I103 PolarHBondContact O-N 2.95Å; L100-I103 VanDerWaalsContact O-N 3.12Å; L101-I103 VanDerWaalsContact C-N 3.3Å; I103-L105 VanDerWaalsContact C-N 3.27Å; I103-L105 PolarHBondContact O-N 3.25Å; I103-N106 HydrophobicContact CG2-CB 4.1Å; I103-N106 CarbonylContact O-C 3.57Å; I103-N106 WeakPolarHBondContact O-CA 3.28Å; I103-N106 PolarHBondContact O-N 2.78Å; I103-Y107 HydrophobicContact CB-CD2 3.72Å; I103-Y107 HydrophobicContact CB-CE2 3.61Å; I103-Y107 HydrophobicContact CD1-CE2 4.33Å; I103-Y107 HydrophobicContact CG2-CD2 3.19Å; I103-Y107 HydrophobicContact CG2-CE2 3.09Å; I103-Y107 HydrophobicContact CG2-CG 3.99Å; I103-Y107 WeakPolarHBondContact O-CD2 3.11Å; I103-Y107 PolarHBondContact O-N 2.84Å
104	K	48.2	Very low	50	Low	137 Å²	137	114.8 Å²	114.8	60%	0.596	55%	0.551	S	S	*	*	H	α-helix	trans	-63.2	-29.7	-178.3	-151.5	172.8	-176.1	-179.2	0	113.3	L100 L101	L100-K104 WeakPolarHBondContact O-CB 3.45Å; L100-K104 PolarHBondContact O-N 3.41Å; L101-K104 HydrophobicContact CD1-CD 3.95Å; L101-K104 VanDerWaalsContact O-CB 3.23Å; L101-K104 WeakPolarHBondContact O-CB 3.48Å; L101-K104 PolarHBondContact O-N 3.22Å
105	L	47.2	Very low	51.3	Low	138 Å²	138	105.6 Å²	105.6	72%	0.723	52%	0.521	S	S	*	.	H	α-helix	trans	-86.7	-22.4	171.6	-80.7	162.4	0	0	0	112.8	I103	I103-L105 VanDerWaalsContact C-N 3.27Å; I103-L105 PolarHBondContact O-N 3.25Å
106	N	53.3	Low	52.4	Low	94 Å²	94	99.7 Å²	99.7	50%	0.503	49%	0.49	S	S	.	.	H	α-helix	trans	-86.6	-35.5	-179	-115.4	9.2	0	0	0	112.4	I103 N108 K109 L110	I103-N106 HydrophobicContact CG2-CB 4.1Å; I103-N106 CarbonylContact O-C 3.57Å; I103-N106 WeakPolarHBondContact O-CA 3.28Å; I103-N106 PolarHBondContact O-N 2.78Å; N106-N108 PolarHBondContact O-N 3.07Å; N106-K109 CarbonylContact O-C 3.49Å; N106-K109 PolarHBondContact O-N 2.83Å; N106-L110 WeakPolarHBondContact O-CB 3.28Å; N106-L110 PolarHBondContact O-N 3.18Å
107	Y	52.7	Low	53.8	Low	116 Å²	116	97.6 Å²	97.6	46%	0.455	48%	0.48	S	S	.	.	H	α-helix	trans	-64.4	-40.5	-176.4	-91.8	-66.7	0	0	0	113.9	L100 I103 K109 L110 F111	L100-Y107 HydrophobicContact CD1-CE2 3.93Å; L100-Y107 HydrophobicContact CG-CE2 4.4Å; I103-Y107 HydrophobicContact CB-CD2 3.72Å; I103-Y107 HydrophobicContact CB-CE2 3.61Å; I103-Y107 HydrophobicContact CD1-CE2 4.33Å; I103-Y107 HydrophobicContact CG2-CD2 3.19Å; I103-Y107 HydrophobicContact CG2-CE2 3.09Å; I103-Y107 HydrophobicContact CG2-CG 3.99Å; I103-Y107 WeakPolarHBondContact O-CD2 3.11Å; I103-Y107 PolarHBondContact O-N 2.84Å; Y107-K109 VanDerWaalsContact C-N 3.29Å; Y107-K109 PolarHBondContact O-N 2.79Å; Y107-L110 HydrophobicContact CD1-CD2 4.5Å; Y107-L110 PolarHBondContact O-N 3.31Å; Y107-F111 VanDerWaalsContact O-CB 3.23Å; Y107-F111 WeakPolarHBondContact O-CB 3.34Å; Y107-F111 PolarHBondContact O-N 3.37Å
108	N	58.8	Low	55	Low	83 Å²	83	93.3 Å²	93.3	44%	0.444	47%	0.465	S	S	.	.	H	α-helix	trans	-64.8	-36.6	176.2	-73.5	0	0	0	0	111.6	N106 G112	N106-N108 PolarHBondContact O-N 3.07Å; N108-G112 PolarHBondContact O-N 2.97Å
109	K	58.3	Low	56.2	Low	74 Å²	74	87.9 Å²	87.9	32%	0.322	45%	0.449	S	S	.	.	H	α-helix	trans	-73.2	-40.3	175.9	-63.6	-179.7	179	-176	0	111.4	N106 Y107 G112 L113 F153	N106-K109 CarbonylContact O-C 3.49Å; N106-K109 PolarHBondContact O-N 2.83Å; Y107-K109 VanDerWaalsContact C-N 3.29Å; Y107-K109 PolarHBondContact O-N 2.79Å; K109-G112 PolarHBondContact O-N 3.36Å; K109-L113 WeakPolarHBondContact O-CG 3.49Å; K109-L113 PolarHBondContact O-N 3.08Å; K109-F153 HydrophobicContact CD-CD1 3.94Å; K109-F153 HydrophobicContact CD-CE1 4.24Å
110	L	61.2	Low	57.3	Low	79 Å²	79	81.8 Å²	81.8	41%	0.414	42%	0.418	S	S	.	.	H	α-helix	trans	-66.7	-41.9	177.3	-158.6	89	0	0	0	110.7	N106 Y107 L113 I114	N106-L110 WeakPolarHBondContact O-CB 3.28Å; N106-L110 PolarHBondContact O-N 3.18Å; Y107-L110 HydrophobicContact CD1-CD2 4.5Å; Y107-L110 PolarHBondContact O-N 3.31Å; L110-L113 CarbonylContact O-C 3.58Å; L110-L113 WeakPolarHBondContact O-CB 3.48Å; L110-L113 PolarHBondContact O-N 2.84Å; L110-I114 HydrophobicContact CD2-CD1 3.95Å; L110-I114 HydrophobicContact CG-CD1 4.01Å; L110-I114 WeakPolarHBondContact O-CB 3.3Å; L110-I114 WeakPolarHBondContact O-CD1 3.43Å; L110-I114 WeakPolarHBondContact O-CG1 3.47Å; L110-I114 PolarHBondContact O-N 3.34Å
111	F	60.9	Low	58.4	Low	79 Å²	79	83.2 Å²	83.2	35%	0.346	42%	0.421	S	S	.	.	H	α-helix	trans	-66.9	-39	173.7	-173.6	-95.3	0	0	0	111.2	Y82 I85 Y107 L113 I114 S115	Y82-F111 HydrophobicContact CD2-CE1 4.47Å; Y82-F111 HydrophobicContact CE2-CD1 4.32Å; Y82-F111 HydrophobicContact CE2-CE1 4.35Å; I85-F111 HydrophobicContact CG2-CE2 4.22Å; I85-F111 HydrophobicContact CG2-CZ 3.93Å; Y107-F111 VanDerWaalsContact O-CB 3.23Å; Y107-F111 WeakPolarHBondContact O-CB 3.34Å; Y107-F111 PolarHBondContact O-N 3.37Å; F111-L113 VanDerWaalsContact C-N 3.31Å; F111-L113 PolarHBondContact O-N 3.49Å; F111-I114 PolarHBondContact O-N 3.16Å; F111-S115 VanDerWaalsContact O-CB 3.25Å; F111-S115 WeakPolarHBondContact O-CB 3.4Å; F111-S115 PolarHBondContact O-N 3.3Å; F111-S115 PolarHBondContact O-OG 3.45Å
112	G	61.7	Low	59.7	Low	21 Å²	21	82.5 Å²	82.5	22%	0.216	42%	0.417	C	S	.	.	H	α-helix	trans	-56.9	-43.5	168.6	0	0	0	0	0	112.4	N108 K109 S115 S116	N108-G112 PolarHBondContact O-N 2.97Å; K109-G112 PolarHBondContact O-N 3.36Å; G112-S115 PolarHBondContact O-OG 3.47Å; G112-S115 VanDerWaalsContact O-OG 3.1Å; G112-S116 WeakPolarHBondContact O-CB 3.46Å; G112-S116 PolarHBondContact O-N 2.93Å
113	L	63.9	Low	60.8	Low	56 Å²	56	77.2 Å²	77.2	29%	0.293	39%	0.389	S	S	.	.	H	α-helix	trans	-68.1	-41.2	175	-76.7	164.8	0	0	0	113	K109 L110 F111 S116 I117 F153	K109-L113 WeakPolarHBondContact O-CG 3.49Å; K109-L113 PolarHBondContact O-N 3.08Å; L110-L113 CarbonylContact O-C 3.58Å; L110-L113 WeakPolarHBondContact O-CB 3.48Å; L110-L113 PolarHBondContact O-N 2.84Å; F111-L113 VanDerWaalsContact C-N 3.31Å; F111-L113 PolarHBondContact O-N 3.49Å; L113-S116 VanDerWaalsContact O-CB 3.22Å; L113-S116 WeakPolarHBondContact O-CB 3.43Å; L113-S116 PolarHBondContact O-N 3.24Å; L113-I117 WeakPolarHBondContact O-CD1 3.48Å; L113-I117 WeakPolarHBondContact O-CG1 3.38Å; L113-I117 PolarHBondContact O-N 3.04Å; L113-F153 HydrophobicContact CD1-CZ 4.23Å
114	I	67.1	Low	61.9	Low	79 Å²	79	77 Å²	77	41%	0.405	39%	0.385	S	S	.	.	H	α-helix	trans	-70.8	-46.8	-179.9	-69.4	162	0	0	0	110.8	L110 F111 S116 I117 L118	L110-I114 HydrophobicContact CD2-CD1 3.95Å; L110-I114 HydrophobicContact CG-CD1 4.01Å; L110-I114 WeakPolarHBondContact O-CB 3.3Å; L110-I114 WeakPolarHBondContact O-CD1 3.43Å; L110-I114 WeakPolarHBondContact O-CG1 3.47Å; L110-I114 PolarHBondContact O-N 3.34Å; F111-I114 PolarHBondContact O-N 3.16Å; I114-S116 VanDerWaalsContact C-N 3.25Å; I114-S116 PolarHBondContact O-N 3.23Å; I114-I117 PolarHBondContact O-N 2.83Å; I114-I117 VanDerWaalsContact O-N 3.12Å; I114-L118 HydrophobicContact CG2-CD1 4.19Å; I114-L118 PolarHBondContact O-N 3.31Å
115	S	62.4	Low	62.7	Low	36 Å²	36	73.3 Å²	73.3	25%	0.252	37%	0.371	S	S	.	.	H	α-helix	trans	-61.3	-38.2	174.2	58.8	0	0	0	0	111	F111 G112 L118 I119	F111-S115 VanDerWaalsContact O-CB 3.25Å; F111-S115 WeakPolarHBondContact O-CB 3.4Å; F111-S115 PolarHBondContact O-N 3.3Å; F111-S115 PolarHBondContact O-OG 3.45Å; G112-S115 PolarHBondContact O-OG 3.47Å; G112-S115 VanDerWaalsContact O-OG 3.1Å; S115-L118 PolarHBondContact O-N 3.17Å; S115-I119 WeakPolarHBondContact O-CB 3.39Å; S115-I119 WeakPolarHBondContact O-CD1 3.32Å; S115-I119 WeakPolarHBondContact O-CG1 3.08Å; S115-I119 PolarHBondContact O-N 3.12Å
116	S	61	Low	63.6	Low	11 Å²	11	71.2 Å²	71.2	8%	0.077	36%	0.36	C	S	.	.	H	α-helix	trans	-56.3	-52.7	167.6	155.2	0	0	0	0	112.8	G112 L113 I114 L118 I119 G120 P149	G112-S116 WeakPolarHBondContact O-CB 3.46Å; G112-S116 PolarHBondContact O-N 2.93Å; L113-S116 VanDerWaalsContact O-CB 3.22Å; L113-S116 WeakPolarHBondContact O-CB 3.43Å; L113-S116 PolarHBondContact O-N 3.24Å; I114-S116 VanDerWaalsContact C-N 3.25Å; I114-S116 PolarHBondContact O-N 3.23Å; S116-L118 VanDerWaalsContact C-N 3.28Å; S116-L118 PolarHBondContact O-N 3.09Å; S116-I119 PolarHBondContact O-N 3.11Å; S116-G120 PolarHBondContact O-N 2.94Å; S116-P149 VanDerWaalsContact CB-CB 3.45Å; S116-P149 WeakPolarHBondContact OG-CG 3.12Å
117	I	68.3	Low	63.9	Low	94 Å²	94	67.8 Å²	67.8	48%	0.482	34%	0.342	S	S	.	.	H	α-helix	trans	-58.5	-42.9	-179.7	-69.9	157.7	0	0	0	110.6	L113 I114 G120 F121 M146	L113-I117 WeakPolarHBondContact O-CD1 3.48Å; L113-I117 WeakPolarHBondContact O-CG1 3.38Å; L113-I117 PolarHBondContact O-N 3.04Å; I114-I117 PolarHBondContact O-N 2.83Å; I114-I117 VanDerWaalsContact O-N 3.12Å; I117-G120 PolarHBondContact O-N 2.92Å; I117-F121 WeakPolarHBondContact O-CB 2.78Å; I117-F121 PolarHBondContact O-N 3.44Å; I117-M146 HydrophobicContact CB-CE 3.95Å; I117-M146 HydrophobicContact CG1-CE 3.41Å; I117-M146 VanDerWaalsContact CG1-CE 3.41Å; I117-M146 HydrophobicContact CG1-SD 4.49Å; I117-M146 HydrophobicContact CG2-CE 4.36Å
118	L	70.1	Confident	64.6	Low	101 Å²	101	63.3 Å²	63.3	53%	0.529	33%	0.325	S	S	.	.	H	α-helix	trans	-64	-46.1	175.7	-80.7	163.3	0	0	0	112.4	I114 S115 S116 G120 F121 I122	I114-L118 HydrophobicContact CG2-CD1 4.19Å; I114-L118 PolarHBondContact O-N 3.31Å; S115-L118 PolarHBondContact O-N 3.17Å; S116-L118 VanDerWaalsContact C-N 3.28Å; S116-L118 PolarHBondContact O-N 3.09Å; L118-G120 VanDerWaalsContact C-N 3.35Å; L118-F121 PolarHBondContact O-N 3.07Å; L118-I122 WeakPolarHBondContact O-CG1 3.41Å; L118-I122 PolarHBondContact O-N 3.28Å
119	I	67.8	Low	64.7	Low	92 Å²	92	65.3 Å²	65.3	47%	0.472	34%	0.335	S	S	.	.	H	α-helix	trans	-63.1	-43.1	176.4	-71.8	163.7	0	0	0	110.4	S115 S116 F121 I122 I123	S115-I119 WeakPolarHBondContact O-CB 3.39Å; S115-I119 WeakPolarHBondContact O-CD1 3.32Å; S115-I119 WeakPolarHBondContact O-CG1 3.08Å; S115-I119 PolarHBondContact O-N 3.12Å; S116-I119 PolarHBondContact O-N 3.11Å; I119-F121 VanDerWaalsContact C-N 3.31Å; I119-F121 PolarHBondContact O-N 3.06Å; I119-I122 PolarHBondContact O-N 3.32Å; I119-I123 HydrophobicContact CG2-CD1 3.57Å; I119-I123 HydrophobicContact CG2-CG1 4.33Å; I119-I123 VanDerWaalsContact O-CB 3.31Å; I119-I123 WeakPolarHBondContact O-CB 3.32Å; I119-I123 VanDerWaalsContact O-CG1 3.23Å; I119-I123 WeakPolarHBondContact O-CG1 3.1Å; I119-I123 PolarHBondContact O-N 3.43Å
120	G	66.6	Low	64.7	Low	4 Å²	4	66.2 Å²	66.2	4%	0.041	34%	0.343	C	S	.	.	H	α-helix	trans	-60.9	-38.8	175	0	0	0	0	0	112.2	S116 I117 L118 Y124	S116-G120 PolarHBondContact O-N 2.94Å; I117-G120 PolarHBondContact O-N 2.92Å; L118-G120 VanDerWaalsContact C-N 3.35Å; G120-Y124 VanDerWaalsContact O-CB 3.24Å; G120-Y124 WeakPolarHBondContact O-CB 3.49Å; G120-Y124 PolarHBondContact O-N 2.93Å
121	F	69	Low	64.7	Low	120 Å²	120	65.3 Å²	65.3	53%	0.526	34%	0.338	S	S	.	.	H	α-helix	trans	-70.3	-41.8	175.4	-172.4	-101.5	0	0	0	112.8	I117 L118 I119 Y124 N125	I117-F121 WeakPolarHBondContact O-CB 2.78Å; I117-F121 PolarHBondContact O-N 3.44Å; L118-F121 PolarHBondContact O-N 3.07Å; I119-F121 VanDerWaalsContact C-N 3.31Å; I119-F121 PolarHBondContact O-N 3.06Å; F121-Y124 WeakPolarHBondContact O-CB 3.48Å; F121-Y124 PolarHBondContact O-N 3.39Å; F121-N125 VanDerWaalsContact CD1-ND2 3.32Å; F121-N125 WeakPolarHBondContact CD1-ND2 3.39Å; F121-N125 WeakPolarHBondContact CE1-ND2 3.43Å; F121-N125 WeakPolarHBondContact CZ-ND2 3.41Å; F121-N125 PolarHBondContact O-N 3.24Å; F121-N125 PolarHBondContact O-ND2 2.9Å
122	I	70.2	Confident	64.7	Low	106 Å²	106	66.2 Å²	66.2	54%	0.544	35%	0.346	S	S	.	.	H	α-helix	trans	-62.3	-46.4	174.4	-69.5	166.8	0	0	0	110	L118 I119 Y124 N125 L126	L118-I122 WeakPolarHBondContact O-CG1 3.41Å; L118-I122 PolarHBondContact O-N 3.28Å; I119-I122 PolarHBondContact O-N 3.32Å; I122-Y124 VanDerWaalsContact C-N 3.31Å; I122-Y124 PolarHBondContact O-N 3.29Å; I122-N125 PolarHBondContact O-N 3.44Å; I122-L126 VanDerWaalsContact O-CB 3.31Å; I122-L126 WeakPolarHBondContact O-CB 3.39Å; I122-L126 PolarHBondContact O-N 2.99Å
123	I	65.4	Low	64.5	Low	47 Å²	47	73.4 Å²	73.4	24%	0.241	37%	0.368	C	S	.	.	H	α-helix	trans	-64.5	-38.2	177.1	-70.5	170.3	0	0	0	110.6	I119 L126 L127 T142 I145	I119-I123 HydrophobicContact CG2-CD1 3.57Å; I119-I123 HydrophobicContact CG2-CG1 4.33Å; I119-I123 VanDerWaalsContact O-CB 3.31Å; I119-I123 WeakPolarHBondContact O-CB 3.32Å; I119-I123 VanDerWaalsContact O-CG1 3.23Å; I119-I123 WeakPolarHBondContact O-CG1 3.1Å; I119-I123 PolarHBondContact O-N 3.43Å; I123-L126 PolarHBondContact O-N 3.42Å; I123-L127 HydrophobicContact CG2-CD1 3.43Å; I123-L127 VanDerWaalsContact CG2-CD1 3.43Å; I123-L127 HydrophobicContact CG2-CG 4Å; I123-L127 VanDerWaalsContact O-CB 3.25Å; I123-L127 WeakPolarHBondContact O-CB 3.32Å; I123-L127 WeakPolarHBondContact O-CD1 3.46Å; I123-L127 WeakPolarHBondContact O-CG 3.48Å; I123-L127 PolarHBondContact O-N 3.26Å; I123-T142 HydrophobicContact CG2-CG2 4.45Å; I123-I145 HydrophobicContact CD1-CD1 4.31Å; I123-I145 HydrophobicContact CD1-CG2 3.85Å; I123-I145 HydrophobicContact CG2-CD1 3.61Å
124	Y	66	Low	64.4	Low	51 Å²	51	72.8 Å²	72.8	20%	0.2	37%	0.365	C	S	.	.	H	α-helix	trans	-57.8	-51.9	174.5	176.5	-120.6	0	0	0	112	G120 F121 I122 L126 L127 I128 I139 T142	G120-Y124 VanDerWaalsContact O-CB 3.24Å; G120-Y124 WeakPolarHBondContact O-CB 3.49Å; G120-Y124 PolarHBondContact O-N 2.93Å; F121-Y124 WeakPolarHBondContact O-CB 3.48Å; F121-Y124 PolarHBondContact O-N 3.39Å; I122-Y124 VanDerWaalsContact C-N 3.31Å; I122-Y124 PolarHBondContact O-N 3.29Å; Y124-L126 VanDerWaalsContact C-N 3.32Å; Y124-L126 PolarHBondContact O-N 3.34Å; Y124-L127 PolarHBondContact O-N 3Å; Y124-I128 HydrophobicContact CD1-CD1 3.63Å; Y124-I128 HydrophobicContact CD2-CD1 3.89Å; Y124-I128 HydrophobicContact CD2-CG1 4.1Å; Y124-I128 HydrophobicContact CE1-CD1 3.22Å; Y124-I128 HydrophobicContact CE1-CG1 4.36Å; Y124-I128 HydrophobicContact CE2-CD1 3.51Å; Y124-I128 HydrophobicContact CE2-CG1 3.79Å; Y124-I128 HydrophobicContact CG-CD1 3.97Å; Y124-I128 VanDerWaalsContact O-CG1 3.29Å; Y124-I128 WeakPolarHBondContact O-CG1 3.47Å; Y124-I128 PolarHBondContact O-N 2.91Å; Y124-I139 HydrophobicContact CE2-CG1 3.64Å; Y124-T142 HydrophobicContact CD2-CG2 3.83Å; Y124-T142 HydrophobicContact CG-CG2 4.04Å
125	N	64.8	Low	63.9	Low	59 Å²	59	73.3 Å²	73.3	32%	0.316	37%	0.369	S	S	.	.	H	α-helix	trans	-62.6	-42.4	178.8	-70.2	-47.8	0	0	0	111.4	F121 I122 L127 I128 I129	F121-N125 VanDerWaalsContact CD1-ND2 3.32Å; F121-N125 WeakPolarHBondContact CD1-ND2 3.39Å; F121-N125 WeakPolarHBondContact CE1-ND2 3.43Å; F121-N125 WeakPolarHBondContact CZ-ND2 3.41Å; F121-N125 PolarHBondContact O-N 3.24Å; F121-N125 PolarHBondContact O-ND2 2.9Å; I122-N125 PolarHBondContact O-N 3.44Å; N125-L127 VanDerWaalsContact C-N 3.31Å; N125-L127 PolarHBondContact O-N 2.75Å; N125-I128 PolarHBondContact O-N 3.07Å; N125-I129 WeakPolarHBondContact O-CD1 3.41Å; N125-I129 VanDerWaalsContact O-CG1 3.25Å; N125-I129 WeakPolarHBondContact O-CG1 3.26Å; N125-I129 PolarHBondContact O-N 3.04Å; N125-I129 VanDerWaalsContact O-N 3.08Å
126	L	65.7	Low	63.8	Low	94 Å²	94	80.7 Å²	80.7	49%	0.492	39%	0.392	S	S	.	.	H	α-helix	trans	-62.4	-40	176.8	-170.9	144.3	0	0	0	111.4	I122 I123 Y124 I129 L130	I122-L126 VanDerWaalsContact O-CB 3.31Å; I122-L126 WeakPolarHBondContact O-CB 3.39Å; I122-L126 PolarHBondContact O-N 2.99Å; I123-L126 PolarHBondContact O-N 3.42Å; Y124-L126 VanDerWaalsContact C-N 3.32Å; Y124-L126 PolarHBondContact O-N 3.34Å; L126-I129 PolarHBondContact O-N 2.86Å; L126-L130 HydrophobicContact CD2-CD1 3.26Å; L126-L130 HydrophobicContact CG-CD1 3.94Å; L126-L130 WeakPolarHBondContact O-CB 3.44Å; L126-L130 WeakPolarHBondContact O-CD1 3.46Å; L126-L130 PolarHBondContact O-N 3.05Å
127	L	60.7	Low	63.8	Low	21 Å²	21	81 Å²	81	11%	0.11	39%	0.393	C	S	.	.	H	α-helix	trans	-70.4	-39.1	176.5	-73.9	165.2	0	0	0	112.9	I123 Y124 N125 I129 L130 L131 L141 T142	I123-L127 HydrophobicContact CG2-CD1 3.43Å; I123-L127 VanDerWaalsContact CG2-CD1 3.43Å; I123-L127 HydrophobicContact CG2-CG 4Å; I123-L127 VanDerWaalsContact O-CB 3.25Å; I123-L127 WeakPolarHBondContact O-CB 3.32Å; I123-L127 WeakPolarHBondContact O-CD1 3.46Å; I123-L127 WeakPolarHBondContact O-CG 3.48Å; I123-L127 PolarHBondContact O-N 3.26Å; Y124-L127 PolarHBondContact O-N 3Å; N125-L127 VanDerWaalsContact C-N 3.31Å; N125-L127 PolarHBondContact O-N 2.75Å; L127-I129 VanDerWaalsContact C-N 3.28Å; L127-I129 PolarHBondContact O-N 3.29Å; L127-L130 PolarHBondContact O-N 3.43Å; L127-L131 HydrophobicContact CB-CD1 4.14Å; L127-L131 HydrophobicContact CD2-CD1 4.18Å; L127-L131 WeakPolarHBondContact O-CA 3.44Å; L127-L131 WeakPolarHBondContact O-CB 3.49Å; L127-L131 VanDerWaalsContact O-CG 3.26Å; L127-L131 WeakPolarHBondContact O-CG 3.35Å; L127-L131 PolarHBondContact O-N 2.91Å; L127-L141 HydrophobicContact CD1-CB 3.96Å; L127-L141 HydrophobicContact CD1-CD2 3.36Å; L127-L141 HydrophobicContact CD1-CG 4.26Å; L127-L141 HydrophobicContact CD2-CD2 3.61Å; L127-L141 HydrophobicContact CG-CD2 4.13Å; L127-T142 HydrophobicContact CD1-CG2 3.85Å
128	I	65.8	Low	63.5	Low	22 Å²	22	76.5 Å²	76.5	11%	0.113	37%	0.37	C	S	.	.	H	α-helix	trans	-58.5	-45.7	173.9	-71.5	162.5	0	0	0	110.1	Y124 N125 N132 Y133	Y124-I128 HydrophobicContact CD1-CD1 3.63Å; Y124-I128 HydrophobicContact CD2-CD1 3.89Å; Y124-I128 HydrophobicContact CD2-CG1 4.1Å; Y124-I128 HydrophobicContact CE1-CD1 3.22Å; Y124-I128 HydrophobicContact CE1-CG1 4.36Å; Y124-I128 HydrophobicContact CE2-CD1 3.51Å; Y124-I128 HydrophobicContact CE2-CG1 3.79Å; Y124-I128 HydrophobicContact CG-CD1 3.97Å; Y124-I128 VanDerWaalsContact O-CG1 3.29Å; Y124-I128 WeakPolarHBondContact O-CG1 3.47Å; Y124-I128 PolarHBondContact O-N 2.91Å; N125-I128 PolarHBondContact O-N 3.07Å; I128-N132 PolarHBondContact O-N 3.26Å; I128-Y133 HydrophobicContact CG2-CD1 3.68Å; I128-Y133 HydrophobicContact CG2-CE1 4.1Å; I128-Y133 HydrophobicContact CG2-CG 4.42Å; I128-Y133 PolarHBondContact O-N 3.32Å
129	I	61.5	Low	63.2	Low	126 Å²	126	75.5 Å²	75.5	65%	0.646	36%	0.364	S	S	*	.	H	α-helix	trans	-65.3	-46.7	179.4	-66.2	165.3	0	0	0	110.1	N125 L126 L127	N125-I129 WeakPolarHBondContact O-CD1 3.41Å; N125-I129 VanDerWaalsContact O-CG1 3.25Å; N125-I129 WeakPolarHBondContact O-CG1 3.26Å; N125-I129 PolarHBondContact O-N 3.04Å; N125-I129 VanDerWaalsContact O-N 3.08Å; L126-I129 PolarHBondContact O-N 2.86Å; L127-I129 VanDerWaalsContact C-N 3.28Å; L127-I129 PolarHBondContact O-N 3.29Å
130	L	57.7	Low	62.9	Low	92 Å²	92	73.5 Å²	73.5	48%	0.482	35%	0.354	S	S	.	.	H	α-helix	trans	-68.1	-36.4	179.7	-101.3	133.8	0	0	0	113.8	L126 L127 N132	L126-L130 HydrophobicContact CD2-CD1 3.26Å; L126-L130 HydrophobicContact CG-CD1 3.94Å; L126-L130 WeakPolarHBondContact O-CB 3.44Å; L126-L130 WeakPolarHBondContact O-CD1 3.46Å; L126-L130 PolarHBondContact O-N 3.05Å; L127-L130 PolarHBondContact O-N 3.43Å; L130-N132 VanDerWaalsContact C-N 3.27Å; L130-N132 PolarHBondContact O-N 3.17Å
131	L	61.4	Low	62.7	Low	60 Å²	60	74.1 Å²	74.1	31%	0.314	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	18.2	-176.1	-64	165.7	0	0	0	112.7	L127 Y133 N134 I137	L127-L131 HydrophobicContact CB-CD1 4.14Å; L127-L131 HydrophobicContact CD2-CD1 4.18Å; L127-L131 WeakPolarHBondContact O-CA 3.44Å; L127-L131 WeakPolarHBondContact O-CB 3.49Å; L127-L131 VanDerWaalsContact O-CG 3.26Å; L127-L131 WeakPolarHBondContact O-CG 3.35Å; L127-L131 PolarHBondContact O-N 2.91Å; L131-Y133 VanDerWaalsContact C-N 3.31Å; L131-Y133 PolarHBondContact O-N 3.11Å; L131-N134 PolarHBondContact O-N 3.17Å; L131-I137 HydrophobicContact CD1-CB 4.02Å; L131-I137 HydrophobicContact CD1-CG2 3.57Å
132	N	61.3	Low	62.5	Low	98 Å²	98	69 Å²	69	52%	0.524	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	52.3	176.2	-161.5	20.2	0	0	0	112.1	I128 L130 N134 R404	I128-N132 PolarHBondContact O-N 3.26Å; L130-N132 VanDerWaalsContact C-N 3.27Å; L130-N132 PolarHBondContact O-N 3.17Å; N132-N134 VanDerWaalsContact C-N 3.33Å; N132-N134 PolarHBondContact O-N 3.38Å; N132-R404 PolarHBondContact ND2-NH2 2.76Å
133	Y	57.6	Low	62	Low	172 Å²	172	67.4 Å²	67.4	68%	0.675	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	20.4	177	-57.3	-85.7	0	0	0	116.7	I128 L131 L135	I128-Y133 HydrophobicContact CG2-CD1 3.68Å; I128-Y133 HydrophobicContact CG2-CE1 4.1Å; I128-Y133 HydrophobicContact CG2-CG 4.42Å; I128-Y133 PolarHBondContact O-N 3.32Å; L131-Y133 VanDerWaalsContact C-N 3.31Å; L131-Y133 PolarHBondContact O-N 3.11Å; Y133-L135 VanDerWaalsContact C-N 3.33Å; Y133-L135 PolarHBondContact O-N 3.11Å
134	N	62.2	Low	61.8	Low	44 Å²	44	69.6 Å²	69.6	24%	0.235	34%	0.336	C	S	.	.			trans	-73.2	90.8	168.1	-160.9	-28.2	0	0	0	110.8	L131 N132 Y136 I137 S138	L131-N134 PolarHBondContact O-N 3.17Å; N132-N134 VanDerWaalsContact C-N 3.33Å; N132-N134 PolarHBondContact O-N 3.38Å; N134-Y136 VanDerWaalsContact C-N 3.3Å; N134-Y136 PolarHBondContact O-N 2.96Å; N134-Y136 PolarHBondContact OD1-N 3.41Å; N134-I137 HydrophobicContact CB-CD1 4.22Å; N134-I137 HydrophobicContact CB-CG1 4.44Å; N134-I137 WeakPolarHBondContact ND2-CD1 3.49Å; N134-I137 PolarHBondContact O-N 3.39Å; N134-S138 PolarHBondContact O-N 2.96Å; N134-S138 PolarHBondContact O-OG 3.03Å
135	L	57.2	Low	61.7	Low	90 Å²	90	68.8 Å²	68.8	47%	0.471	34%	0.335	S	S	.	.	H	α-helix	trans	-56.2	-40.8	-177.1	-72.9	164.5	0	0	0	112.2	Y133 S138 I139	Y133-L135 VanDerWaalsContact C-N 3.33Å; Y133-L135 PolarHBondContact O-N 3.11Å; L135-S138 PolarHBondContact O-N 3.49Å; L135-I139 WeakPolarHBondContact O-CB 2.9Å; L135-I139 WeakPolarHBondContact O-CD1 3.33Å; L135-I139 WeakPolarHBondContact O-CG1 3.11Å; L135-I139 PolarHBondContact O-N 3.49Å
136	Y	59.7	Low	61.4	Low	191 Å²	191	68.6 Å²	68.6	75%	0.749	33%	0.333	S	S	*	.	H	α-helix	trans	-65.8	-45.6	-175.1	-68.1	-79.6	0	0	0	112.9	N134 S138 L140	N134-Y136 VanDerWaalsContact C-N 3.3Å; N134-Y136 PolarHBondContact O-N 2.96Å; N134-Y136 PolarHBondContact OD1-N 3.41Å; Y136-S138 VanDerWaalsContact C-N 3.32Å; Y136-L140 WeakPolarHBondContact O-CB 3.32Å; Y136-L140 PolarHBondContact O-N 2.91Å
137	I	60.7	Low	61.2	Low	17 Å²	17	67.7 Å²	67.7	9%	0.087	33%	0.328	C	S	.	.	H	α-helix	trans	-64.8	-42.7	177.1	-57	176.2	0	0	0	109.9	L131 N134 L140 L141 L412	L131-I137 HydrophobicContact CD1-CB 4.02Å; L131-I137 HydrophobicContact CD1-CG2 3.57Å; N134-I137 HydrophobicContact CB-CD1 4.22Å; N134-I137 HydrophobicContact CB-CG1 4.44Å; N134-I137 WeakPolarHBondContact ND2-CD1 3.49Å; N134-I137 PolarHBondContact O-N 3.39Å; I137-L140 PolarHBondContact O-N 3.35Å; I137-L141 WeakPolarHBondContact O-CB 3.19Å; I137-L141 PolarHBondContact O-N 3.42Å; I137-L412 HydrophobicContact CG1-CB 4.35Å; I137-L412 HydrophobicContact CG1-CD1 4.03Å
138	S	63.1	Low	61.2	Low	0 Å²	0	68.3 Å²	68.3	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-64.7	-43.4	-177.4	-55.3	0	0	0	0	111.9	N134 L135 Y136 T142	N134-S138 PolarHBondContact O-N 2.96Å; N134-S138 PolarHBondContact O-OG 3.03Å; L135-S138 PolarHBondContact O-N 3.49Å; Y136-S138 VanDerWaalsContact C-N 3.32Å; S138-T142 WeakPolarHBondContact O-CB 3.37Å; S138-T142 WeakPolarHBondContact O-CG2 3.31Å; S138-T142 PolarHBondContact O-N 3.28Å; S138-T142 VanDerWaalsContact O-N 3.13Å; S138-T142 PolarHBondContact O-OG1 3.02Å
139	I	62.5	Low	60.8	Low	80 Å²	80	68.6 Å²	68.6	41%	0.41	33%	0.334	S	S	.	.	H	α-helix	trans	-65.9	-44.7	176.5	-67.4	166.2	0	0	0	110.7	Y124 L135 T142 T143	Y124-I139 HydrophobicContact CE2-CG1 3.64Å; L135-I139 WeakPolarHBondContact O-CB 2.9Å; L135-I139 WeakPolarHBondContact O-CD1 3.33Å; L135-I139 WeakPolarHBondContact O-CG1 3.11Å; L135-I139 PolarHBondContact O-N 3.49Å; I139-T142 WeakPolarHBondContact CA-OG1 3.49Å; I139-T142 PolarHBondContact O-N 3.46Å; I139-T142 PolarHBondContact O-OG1 2.73Å; I139-T143 HydrophobicContact CG2-CG2 4.42Å; I139-T143 VanDerWaalsContact O-CG2 3.28Å; I139-T143 WeakPolarHBondContact O-CG2 3.37Å; I139-T143 PolarHBondContact O-N 2.79Å; I139-T143 PolarHBondContact O-OG1 2.85Å; I139-T143 VanDerWaalsContact O-OG1 3.05Å
140	L	61.4	Low	60.5	Low	50 Å²	50	66.1 Å²	66.1	26%	0.262	33%	0.325	S	S	.	.	H	α-helix	trans	-66.5	-47.6	-178.4	-167.4	144.2	0	0	0	110.6	Y136 I137 T142 T143 Y144 L412 L416	Y136-L140 WeakPolarHBondContact O-CB 3.32Å; Y136-L140 PolarHBondContact O-N 2.91Å; I137-L140 PolarHBondContact O-N 3.35Å; L140-T142 VanDerWaalsContact C-N 3.26Å; L140-T142 PolarHBondContact O-N 3.34Å; L140-T143 WeakPolarHBondContact CA-OG1 3.4Å; L140-T143 PolarHBondContact O-N 2.95Å; L140-T143 PolarHBondContact O-OG1 2.61Å; L140-Y144 HydrophobicContact CD2-CD2 3.61Å; L140-Y144 HydrophobicContact CD2-CE2 3.52Å; L140-Y144 HydrophobicContact CG-CD2 4.1Å; L140-Y144 HydrophobicContact CG-CE2 3.86Å; L140-Y144 VanDerWaalsContact O-CD2 3.22Å; L140-Y144 WeakPolarHBondContact O-CD2 3.32Å; L140-Y144 PolarHBondContact O-N 3.06Å; L140-Y144 VanDerWaalsContact O-N 3.09Å; L140-L412 HydrophobicContact CD1-CD1 4.26Å; L140-L412 HydrophobicContact CD1-CD2 4.16Å; L140-L412 HydrophobicContact CD2-CD2 4.18Å; L140-L412 HydrophobicContact CD2-CG 4.29Å; L140-L416 HydrophobicContact CD2-CD1 4.06Å; L140-L416 HydrophobicContact CD2-CD2 3.48Å; L140-L416 VanDerWaalsContact CD2-CD2 3.48Å; L140-L416 HydrophobicContact CD2-CG 3.96Å
141	L	62.5	Low	60.5	Low	16 Å²	16	63.9 Å²	63.9	8%	0.084	31%	0.311	C	S	.	.	H	α-helix	trans	-61.6	-35.9	179.1	-150.2	94.5	0	0	0	112.7	L127 I137 Y144 I145 Y172	L127-L141 HydrophobicContact CD1-CB 3.96Å; L127-L141 HydrophobicContact CD1-CD2 3.36Å; L127-L141 HydrophobicContact CD1-CG 4.26Å; L127-L141 HydrophobicContact CD2-CD2 3.61Å; L127-L141 HydrophobicContact CG-CD2 4.13Å; I137-L141 WeakPolarHBondContact O-CB 3.19Å; I137-L141 PolarHBondContact O-N 3.42Å; L141-Y144 PolarHBondContact O-N 2.96Å; L141-I145 HydrophobicContact CD2-CD1 4.05Å; L141-I145 HydrophobicContact CG-CD1 4.47Å; L141-I145 WeakPolarHBondContact O-CG1 3.31Å; L141-I145 PolarHBondContact O-N 2.92Å; L141-Y172 WeakPolarHBondContact CD1-OH 3.32Å; L141-Y172 WeakPolarHBondContact CD2-OH 3.47Å
142	T	64.7	Low	60.3	Low	14 Å²	14	62.6 Å²	62.6	9%	0.086	31%	0.309	C	S	.	.	H	α-helix	trans	-72.3	-43.2	179.1	57	0	0	0	0	111.4	I123 Y124 L127 S138 I139 L140 Y144 I145 M146	I123-T142 HydrophobicContact CG2-CG2 4.45Å; Y124-T142 HydrophobicContact CD2-CG2 3.83Å; Y124-T142 HydrophobicContact CG-CG2 4.04Å; L127-T142 HydrophobicContact CD1-CG2 3.85Å; S138-T142 WeakPolarHBondContact O-CB 3.37Å; S138-T142 WeakPolarHBondContact O-CG2 3.31Å; S138-T142 PolarHBondContact O-N 3.28Å; S138-T142 VanDerWaalsContact O-N 3.13Å; S138-T142 PolarHBondContact O-OG1 3.02Å; I139-T142 WeakPolarHBondContact CA-OG1 3.49Å; I139-T142 PolarHBondContact O-N 3.46Å; I139-T142 PolarHBondContact O-OG1 2.73Å; L140-T142 VanDerWaalsContact C-N 3.26Å; L140-T142 PolarHBondContact O-N 3.34Å; T142-Y144 PolarHBondContact O-N 2.91Å; T142-I145 PolarHBondContact O-N 3.15Å; T142-I145 VanDerWaalsContact O-N 3.14Å; T142-M146 WeakPolarHBondContact O-CB 3.16Å; T142-M146 WeakPolarHBondContact O-CG 3.25Å; T142-M146 PolarHBondContact O-N 2.79Å
143	T	60.6	Low	60.2	Low	71 Å²	71	62.8 Å²	62.8	44%	0.436	31%	0.306	S	S	.	.	H	α-helix	trans	-56.9	-36.8	173	53.9	0	0	0	0	112.2	I139 L140 M146 I147	I139-T143 HydrophobicContact CG2-CG2 4.42Å; I139-T143 VanDerWaalsContact O-CG2 3.28Å; I139-T143 WeakPolarHBondContact O-CG2 3.37Å; I139-T143 PolarHBondContact O-N 2.79Å; I139-T143 PolarHBondContact O-OG1 2.85Å; I139-T143 VanDerWaalsContact O-OG1 3.05Å; L140-T143 WeakPolarHBondContact CA-OG1 3.4Å; L140-T143 PolarHBondContact O-N 2.95Å; L140-T143 PolarHBondContact O-OG1 2.61Å; T143-M146 WeakPolarHBondContact O-CB 3.24Å; T143-M146 PolarHBondContact O-N 3.05Å; T143-I147 WeakPolarHBondContact O-CG1 3.26Å; T143-I147 PolarHBondContact O-N 3.49Å
144	Y	60.7	Low	60.9	Low	93 Å²	93	56.8 Å²	56.8	37%	0.365	29%	0.289	S	S	.	.	H	α-helix	trans	-73.1	-38.5	174	-81.7	-79.9	0	0	0	114	L140 L141 T142 M146 I147 L416	L140-Y144 HydrophobicContact CD2-CD2 3.61Å; L140-Y144 HydrophobicContact CD2-CE2 3.52Å; L140-Y144 HydrophobicContact CG-CD2 4.1Å; L140-Y144 HydrophobicContact CG-CE2 3.86Å; L140-Y144 VanDerWaalsContact O-CD2 3.22Å; L140-Y144 WeakPolarHBondContact O-CD2 3.32Å; L140-Y144 PolarHBondContact O-N 3.06Å; L140-Y144 VanDerWaalsContact O-N 3.09Å; L141-Y144 PolarHBondContact O-N 2.96Å; T142-Y144 PolarHBondContact O-N 2.91Å; Y144-M146 PolarHBondContact O-N 2.8Å; Y144-I147 HydrophobicContact CD1-CD1 3.79Å; Y144-I147 HydrophobicContact CE1-CD1 4.1Å; Y144-I147 HydrophobicContact CG-CD1 4.44Å; Y144-I147 WeakPolarHBondContact O-CB 3.36Å; Y144-I147 PolarHBondContact O-N 2.8Å; Y144-L416 HydrophobicContact CD1-CD2 4.48Å; Y144-L416 HydrophobicContact CD2-CD2 3.61Å; Y144-L416 HydrophobicContact CE1-CD2 4.14Å; Y144-L416 HydrophobicContact CE2-CD2 3.25Å; Y144-L416 HydrophobicContact CG-CD2 4.24Å
145	I	63.8	Low	61.4	Low	35 Å²	35	58.1 Å²	58.1	18%	0.179	30%	0.302	C	S	.	.	H	α-helix	trans	-63.3	-30.4	172.2	-71.2	171.2	0	0	0	110.6	I123 L141 T142 I147 L148 P149	I123-I145 HydrophobicContact CD1-CD1 4.31Å; I123-I145 HydrophobicContact CD1-CG2 3.85Å; I123-I145 HydrophobicContact CG2-CD1 3.61Å; L141-I145 HydrophobicContact CD2-CD1 4.05Å; L141-I145 HydrophobicContact CG-CD1 4.47Å; L141-I145 WeakPolarHBondContact O-CG1 3.31Å; L141-I145 PolarHBondContact O-N 2.92Å; T142-I145 PolarHBondContact O-N 3.15Å; T142-I145 VanDerWaalsContact O-N 3.14Å; I145-I147 VanDerWaalsContact C-N 3.28Å; I145-I147 PolarHBondContact O-N 2.73Å; I145-L148 WeakPolarHBondContact O-CB 3.3Å; I145-L148 PolarHBondContact O-N 3.33Å; I145-P149 WeakPolarHBondContact O-CD 3.25Å
146	M	59.6	Low	62.4	Low	55 Å²	55	57.5 Å²	57.5	27%	0.271	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-15	172.9	-64.5	-81.7	-77.6	0	0	113.2	I117 T142 T143 Y144 P149	I117-M146 HydrophobicContact CB-CE 3.95Å; I117-M146 HydrophobicContact CG1-CE 3.41Å; I117-M146 VanDerWaalsContact CG1-CE 3.41Å; I117-M146 HydrophobicContact CG1-SD 4.49Å; I117-M146 HydrophobicContact CG2-CE 4.36Å; T142-M146 WeakPolarHBondContact O-CB 3.16Å; T142-M146 WeakPolarHBondContact O-CG 3.25Å; T142-M146 PolarHBondContact O-N 2.79Å; T143-M146 WeakPolarHBondContact O-CB 3.24Å; T143-M146 PolarHBondContact O-N 3.05Å; Y144-M146 PolarHBondContact O-N 2.8Å; M146-P149 VanDerWaalsContact C-CD 3.5Å; M146-P149 VanDerWaalsContact O-CD 3.28Å; M146-P149 WeakPolarHBondContact O-CD 3.23Å; M146-P149 VanDerWaalsContact O-CG 3.3Å; M146-P149 WeakPolarHBondContact O-CG 3.41Å
147	I	61.4	Low	63.1	Low	74 Å²	74	51.4 Å²	51.4	38%	0.379	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-32.9	170.8	-67.3	168.3	0	0	0	111.7	T143 Y144 I145 P149 V150 F151	T143-I147 WeakPolarHBondContact O-CG1 3.26Å; T143-I147 PolarHBondContact O-N 3.49Å; Y144-I147 HydrophobicContact CD1-CD1 3.79Å; Y144-I147 HydrophobicContact CE1-CD1 4.1Å; Y144-I147 HydrophobicContact CG-CD1 4.44Å; Y144-I147 WeakPolarHBondContact O-CB 3.36Å; Y144-I147 PolarHBondContact O-N 2.8Å; I145-I147 VanDerWaalsContact C-N 3.28Å; I145-I147 PolarHBondContact O-N 2.73Å; I147-P149 VanDerWaalsContact C-CD 3.48Å; I147-P149 VanDerWaalsContact C-N 3.28Å; I147-V150 WeakPolarHBondContact O-CB 3.35Å; I147-V150 PolarHBondContact O-N 3.47Å; I147-F151 HydrophobicContact CG2-CE2 4.14Å
148	L	59.3	Low	63.9	Low	34 Å²	34	54.2 Å²	54.2	18%	0.178	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-49.2	-41.3	175	-70.6	165.2	0	0	0	114.1	I145 F151 I164 L168	I145-L148 WeakPolarHBondContact O-CB 3.3Å; I145-L148 PolarHBondContact O-N 3.33Å; L148-F151 WeakPolarHBondContact O-CB 3.46Å; L148-F151 WeakPolarHBondContact O-CD2 3.35Å; L148-F151 PolarHBondContact O-N 2.96Å; L148-I164 HydrophobicContact CD2-CB 4.19Å; L148-I164 HydrophobicContact CD2-CD1 3.8Å; L148-I164 HydrophobicContact CD2-CG2 3.7Å; L148-L168 HydrophobicContact CD1-CD1 3.82Å
149	P	57.1	Low	64.8	Low	28 Å²	28	54.2 Å²	54.2	18%	0.182	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-80.8	-14.8	175.5	20.8	-26.1	0	0	0	115	S116 I145 M146 I147 F151 A152	S116-P149 VanDerWaalsContact CB-CB 3.45Å; S116-P149 WeakPolarHBondContact OG-CG 3.12Å; I145-P149 WeakPolarHBondContact O-CD 3.25Å; M146-P149 VanDerWaalsContact C-CD 3.5Å; M146-P149 VanDerWaalsContact O-CD 3.28Å; M146-P149 WeakPolarHBondContact O-CD 3.23Å; M146-P149 VanDerWaalsContact O-CG 3.3Å; M146-P149 WeakPolarHBondContact O-CG 3.41Å; I147-P149 VanDerWaalsContact C-CD 3.48Å; I147-P149 VanDerWaalsContact C-N 3.28Å; P149-F151 PolarHBondContact O-N 3.46Å; P149-A152 WeakPolarHBondContact O-CB 3.15Å; P149-A152 PolarHBondContact O-N 3.24Å
150	V	56.9	Low	65.8	Low	74 Å²	74	51.3 Å²	51.3	45%	0.448	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-62.5	-23.8	166.2	179.6	0	0	0	0	110.2	I147 A152 F153	I147-V150 WeakPolarHBondContact O-CB 3.35Å; I147-V150 PolarHBondContact O-N 3.47Å; V150-A152 PolarHBondContact O-N 3.12Å; V150-A152 VanDerWaalsContact O-N 3.13Å; V150-F153 HydrophobicContact CG1-CD2 4.4Å; V150-F153 HydrophobicContact CG1-CE2 4.29Å; V150-F153 WeakPolarHBondContact O-CD2 3.24Å
151	F	56.4	Low	66.6	Low	46 Å²	46	49.9 Å²	49.9	20%	0.202	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-69	-2.9	170	-63.9	-65	0	0	0	114.3	I147 L148 P149 F153 L157 Q158	I147-F151 HydrophobicContact CG2-CE2 4.14Å; L148-F151 WeakPolarHBondContact O-CB 3.46Å; L148-F151 WeakPolarHBondContact O-CD2 3.35Å; L148-F151 PolarHBondContact O-N 2.96Å; P149-F151 PolarHBondContact O-N 3.46Å; F151-F153 PolarHBondContact O-N 3.16Å; F151-L157 HydrophobicContact CB-CB 4Å; F151-L157 HydrophobicContact CD1-CB 4.1Å; F151-L157 HydrophobicContact CD1-CD1 4.23Å; F151-L157 HydrophobicContact CD1-CD2 3.82Å; F151-L157 HydrophobicContact CD1-CG 4.24Å; F151-L157 HydrophobicContact CE1-CD2 4.25Å; F151-L157 CarbonylContact O-C 3.51Å; F151-L157 WeakPolarHBondContact O-CB 3.4Å; F151-Q158 PolarHBondContact O-N 3.33Å
152	A	56.8	Low	67.4	Low	33 Å²	33	52.9 Å²	52.9	27%	0.273	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-73.1	-7.4	179.6	0	0	0	0	0	114.7	P149 V150 Q158	P149-A152 WeakPolarHBondContact O-CB 3.15Å; P149-A152 PolarHBondContact O-N 3.24Å; V150-A152 PolarHBondContact O-N 3.12Å; V150-A152 VanDerWaalsContact O-N 3.13Å; A152-Q158 PolarHBondContact O-NE2 3.38Å
153	F	60.6	Low	68.3	Low	102 Å²	102	52.3 Å²	52.3	45%	0.447	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-72.9	-32.8	-173.2	-74.8	-72.1	0	0	0	114.9	K109 L113 V150 F151	K109-F153 HydrophobicContact CD-CD1 3.94Å; K109-F153 HydrophobicContact CD-CE1 4.24Å; L113-F153 HydrophobicContact CD1-CZ 4.23Å; V150-F153 HydrophobicContact CG1-CD2 4.4Å; V150-F153 HydrophobicContact CG1-CE2 4.29Å; V150-F153 WeakPolarHBondContact O-CD2 3.24Å; F151-F153 PolarHBondContact O-N 3.16Å
154	S	72.6	Confident	69.3	Low	46 Å²	46	48.9 Å²	48.9	32%	0.322	27%	0.265	S	S	.	.	S	Bend	trans	-123.9	147.8	-179.7	79.3	0	0	0	0	112.2	N156 L157 Q158	S154-N156 PolarHBondContact O-N 3.04Å; S154-L157 PolarHBondContact O-N 3.07Å; S154-L157 VanDerWaalsContact O-N 3.09Å; S154-L157 VanDerWaalsContact OG-CB 3.31Å; S154-L157 WeakPolarHBondContact OG-CB 3.49Å; S154-L157 WeakPolarHBondContact OG-CD1 3.24Å; S154-L157 WeakPolarHBondContact OG-CG 3.48Å; S154-L157 PolarHBondContact OG-N 3.45Å; S154-L157 VanDerWaalsContact OG-N 3.16Å; S154-Q158 VanDerWaalsContact O-CG 3.26Å; S154-Q158 WeakPolarHBondContact O-CG 3.46Å; S154-Q158 PolarHBondContact O-N 2.68Å
155	S	72.5	Confident	70.2	Confident	72 Å²	72	48.7 Å²	48.7	50%	0.503	27%	0.27	S	S	.	.	H	α-helix	trans	-57.3	-35.4	179.1	53.7	0	0	0	0	113.1	C159 Y634	S155-C159 PolarHBondContact O-N 2.86Å; S155-C159 VanDerWaalsContact O-N 3.12Å; S155-Y634 WeakPolarHBondContact O-CE1 3.27Å
156	N	77.2	Confident	71.2	Confident	77 Å²	77	47.1 Å²	47.1	41%	0.412	26%	0.262	S	S	.	.	H	α-helix	trans	-68.3	-42	175.7	-75.1	-25.6	0	0	0	112.3	S154 C159 I160 R430 Y635	S154-N156 PolarHBondContact O-N 3.04Å; N156-C159 PolarHBondContact O-N 3.32Å; N156-I160 WeakPolarHBondContact O-CG1 3.31Å; N156-I160 PolarHBondContact O-N 3.43Å; N156-R430 PolarHBondContact OD1-NH2 3.3Å; N156-Y635 PolarHBondContact OD1-OH 3.26Å
157	L	74.2	Confident	72.5	Confident	63 Å²	63	45 Å²	45	33%	0.33	25%	0.25	S	S	.	.	H	α-helix	trans	-72.4	-33.4	176.9	-67.2	176.6	0	0	0	111.4	F151 S154 C159 I160 G161	F151-L157 HydrophobicContact CB-CB 4Å; F151-L157 HydrophobicContact CD1-CB 4.1Å; F151-L157 HydrophobicContact CD1-CD1 4.23Å; F151-L157 HydrophobicContact CD1-CD2 3.82Å; F151-L157 HydrophobicContact CD1-CG 4.24Å; F151-L157 HydrophobicContact CE1-CD2 4.25Å; F151-L157 CarbonylContact O-C 3.51Å; F151-L157 WeakPolarHBondContact O-CB 3.4Å; S154-L157 PolarHBondContact O-N 3.07Å; S154-L157 VanDerWaalsContact O-N 3.09Å; S154-L157 VanDerWaalsContact OG-CB 3.31Å; S154-L157 WeakPolarHBondContact OG-CB 3.49Å; S154-L157 WeakPolarHBondContact OG-CD1 3.24Å; S154-L157 WeakPolarHBondContact OG-CG 3.48Å; S154-L157 PolarHBondContact OG-N 3.45Å; S154-L157 VanDerWaalsContact OG-N 3.16Å; L157-C159 VanDerWaalsContact C-N 3.33Å; L157-C159 PolarHBondContact O-N 3.07Å; L157-I160 HydrophobicContact CD2-CD1 4.33Å; L157-I160 PolarHBondContact O-N 3.48Å; L157-G161 PolarHBondContact O-N 2.89Å
158	Q	78.8	Confident	73.4	Confident	76 Å²	76	43.1 Å²	43.1	36%	0.355	24%	0.241	S	C	.	.	H	α-helix	trans	-61.1	-41.9	173	-72.4	170.4	4.3	0	0	111.7	F151 A152 S154 I160 G161 L162 Y634	F151-Q158 PolarHBondContact O-N 3.33Å; A152-Q158 PolarHBondContact O-NE2 3.38Å; S154-Q158 VanDerWaalsContact O-CG 3.26Å; S154-Q158 WeakPolarHBondContact O-CG 3.46Å; S154-Q158 PolarHBondContact O-N 2.68Å; Q158-I160 VanDerWaalsContact C-N 3.35Å; Q158-I160 PolarHBondContact O-N 3.19Å; Q158-G161 PolarHBondContact O-N 3.21Å; Q158-L162 WeakPolarHBondContact O-CB 3.47Å; Q158-L162 WeakPolarHBondContact O-CG 3.37Å; Q158-L162 PolarHBondContact O-N 3.44Å; Q158-Y634 VanDerWaalsContact CB-OH 3.3Å; Q158-Y634 WeakPolarHBondContact CB-OH 3.38Å
159	C	82.1	Confident	74.3	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-58.9	-46.7	173.5	177.5	0	0	0	0	111	S155 N156 L157 L162 M163 Y634	S155-C159 PolarHBondContact O-N 2.86Å; S155-C159 VanDerWaalsContact O-N 3.12Å; N156-C159 PolarHBondContact O-N 3.32Å; L157-C159 VanDerWaalsContact C-N 3.33Å; L157-C159 PolarHBondContact O-N 3.07Å; C159-L162 PolarHBondContact O-N 3Å; C159-M163 WeakPolarHBondContact O-CB 3.46Å; C159-M163 WeakPolarHBondContact O-CG 3.38Å; C159-M163 PolarHBondContact O-N 2.62Å; C159-Y634 HydrophobicContact CB-CD1 4.03Å; C159-Y634 HydrophobicContact CB-CD2 3.81Å; C159-Y634 HydrophobicContact CB-CE1 4.04Å; C159-Y634 HydrophobicContact CB-CE2 3.82Å; C159-Y634 HydrophobicContact CB-CG 3.92Å
160	I	83.2	Confident	75.5	Confident	19 Å²	19	43.2 Å²	43.2	10%	0.097	24%	0.24	C	C	.	.	H	α-helix	trans	-63.6	-44	177	-64.7	166.3	0	0	0	111	N156 L157 Q158 M163 I164 A426 I427	N156-I160 WeakPolarHBondContact O-CG1 3.31Å; N156-I160 PolarHBondContact O-N 3.43Å; L157-I160 HydrophobicContact CD2-CD1 4.33Å; L157-I160 PolarHBondContact O-N 3.48Å; Q158-I160 VanDerWaalsContact C-N 3.35Å; Q158-I160 PolarHBondContact O-N 3.19Å; I160-M163 WeakPolarHBondContact O-CB 3.44Å; I160-M163 PolarHBondContact O-N 3.37Å; I160-I164 HydrophobicContact CG2-CD1 4.16Å; I160-I164 VanDerWaalsContact O-CG1 3.31Å; I160-I164 WeakPolarHBondContact O-CG1 3.22Å; I160-I164 PolarHBondContact O-N 3.35Å; I160-A426 HydrophobicContact CG2-CB 4.4Å; I160-I427 HydrophobicContact CD1-CG1 4.3Å; I160-I427 HydrophobicContact CG2-CG1 4.25Å
161	G	76.5	Confident	76.7	Confident	19 Å²	19	41.4 Å²	41.4	20%	0.196	23%	0.225	C	C	.	.	H	α-helix	trans	-58.9	-49.1	177.3	0	0	0	0	0	112.6	L157 Q158 M163 I164	L157-G161 PolarHBondContact O-N 2.89Å; Q158-G161 PolarHBondContact O-N 3.21Å; G161-M163 VanDerWaalsContact C-N 3.29Å; G161-M163 PolarHBondContact O-N 3.46Å; G161-I164 WeakPolarHBondContact O-CB 3.47Å; G161-I164 PolarHBondContact O-N 3.26Å
162	L	80.9	Confident	77.8	Confident	80 Å²	80	40.1 Å²	40.1	42%	0.419	22%	0.219	S	C	.	.	H	α-helix	trans	-64.7	-34.5	175.5	-74.3	169	0	0	0	112.1	Q158 C159 I164 L165 P166 I630 Y634	Q158-L162 WeakPolarHBondContact O-CB 3.47Å; Q158-L162 WeakPolarHBondContact O-CG 3.37Å; Q158-L162 PolarHBondContact O-N 3.44Å; C159-L162 PolarHBondContact O-N 3Å; L162-I164 VanDerWaalsContact C-N 3.3Å; L162-I164 PolarHBondContact O-N 3.04Å; L162-L165 WeakPolarHBondContact O-CB 3.44Å; L162-L165 PolarHBondContact O-N 3.32Å; L162-P166 WeakPolarHBondContact O-CD 3.22Å; L162-I630 HydrophobicContact CB-CD1 4.4Å; L162-I630 HydrophobicContact CB-CG2 4.26Å; L162-Y634 HydrophobicContact CD1-CE2 3.84Å; L162-Y634 WeakPolarHBondContact CD1-OH 3.32Å
163	M	82.5	Confident	78.8	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-67.1	-28.5	175.8	-81.2	-69.4	-56	0	0	113.2	C159 I160 G161 L165 P166 Y167 A426 F429 R627 I630 M631	C159-M163 WeakPolarHBondContact O-CB 3.46Å; C159-M163 WeakPolarHBondContact O-CG 3.38Å; C159-M163 PolarHBondContact O-N 2.62Å; I160-M163 WeakPolarHBondContact O-CB 3.44Å; I160-M163 PolarHBondContact O-N 3.37Å; G161-M163 VanDerWaalsContact C-N 3.29Å; G161-M163 PolarHBondContact O-N 3.46Å; M163-L165 VanDerWaalsContact C-N 3.3Å; M163-L165 PolarHBondContact O-N 2.91Å; M163-P166 WeakPolarHBondContact O-CD 3.42Å; M163-Y167 HydrophobicContact CE-CE2 4.23Å; M163-Y167 WeakPolarHBondContact O-CD2 3.48Å; M163-A426 HydrophobicContact CB-CB 4.33Å; M163-F429 HydrophobicContact CE-CD1 3.23Å; M163-F429 HydrophobicContact CE-CE1 3.56Å; M163-F429 HydrophobicContact CE-CG 4.08Å; M163-F429 HydrophobicContact SD-CE1 4.46Å; M163-R627 HydrophobicContact CE-CB 3.56Å; M163-R627 HydrophobicContact CE-CG 3.5Å; M163-R627 VanDerWaalsContact CE-CG 3.5Å; M163-R627 VanDerWaalsContact SD-CA 3.55Å; M163-R627 HydrophobicContact SD-CB 3.7Å; M163-R627 HydrophobicContact SD-CG 3.9Å; M163-I630 HydrophobicContact CG-CG2 4.05Å; M163-I630 HydrophobicContact SD-CB 4.09Å; M163-I630 HydrophobicContact SD-CD1 4.25Å; M163-I630 HydrophobicContact SD-CG2 4.14Å; M163-M631 HydrophobicContact SD-CG 4.3Å
164	I	83.1	Confident	79.9	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-67.8	-30.6	176	-69	160.4	0	0	0	111.2	L148 I160 G161 L162 Y167 L168 I423 A426	L148-I164 HydrophobicContact CD2-CB 4.19Å; L148-I164 HydrophobicContact CD2-CD1 3.8Å; L148-I164 HydrophobicContact CD2-CG2 3.7Å; I160-I164 HydrophobicContact CG2-CD1 4.16Å; I160-I164 VanDerWaalsContact O-CG1 3.31Å; I160-I164 WeakPolarHBondContact O-CG1 3.22Å; I160-I164 PolarHBondContact O-N 3.35Å; G161-I164 WeakPolarHBondContact O-CB 3.47Å; G161-I164 PolarHBondContact O-N 3.26Å; L162-I164 VanDerWaalsContact C-N 3.3Å; L162-I164 PolarHBondContact O-N 3.04Å; I164-Y167 CarbonylContact O-C 3.41Å; I164-Y167 WeakPolarHBondContact O-CA 3.35Å; I164-Y167 WeakPolarHBondContact O-CB 3.23Å; I164-Y167 PolarHBondContact O-N 3.49Å; I164-L168 HydrophobicContact CG2-CD1 3.75Å; I164-L168 HydrophobicContact CG2-CD2 4.44Å; I164-L168 HydrophobicContact CG2-CG 3.75Å; I164-L168 PolarHBondContact O-N 2.91Å; I164-I423 HydrophobicContact CD1-CG1 3.9Å; I164-A426 HydrophobicContact CG1-CB 3.82Å
165	L	78.9	Confident	80.3	Confident	89 Å²	89	36.4 Å²	36.4	47%	0.466	19%	0.193	S	C	.	.	H	α-helix	trans	-57.7	-50.2	-177.2	179.7	156.3	0	0	0	113.4	L162 M163 Y167 L168 I169	L162-L165 WeakPolarHBondContact O-CB 3.44Å; L162-L165 PolarHBondContact O-N 3.32Å; M163-L165 VanDerWaalsContact C-N 3.3Å; M163-L165 PolarHBondContact O-N 2.91Å; L165-Y167 VanDerWaalsContact C-N 3.25Å; L165-Y167 PolarHBondContact O-N 3.44Å; L165-L168 WeakPolarHBondContact O-CB 3.36Å; L165-L168 PolarHBondContact O-N 2.96Å; L165-L168 VanDerWaalsContact O-N 3.16Å; L165-I169 HydrophobicContact CD2-CD1 3.61Å; L165-I169 HydrophobicContact CD2-CG1 4.48Å; L165-I169 HydrophobicContact CG-CD1 4.3Å; L165-I169 WeakPolarHBondContact O-CG1 3.32Å; L165-I169 PolarHBondContact O-N 2.72Å
166	P	85.2	Confident	80.5	Confident	1 Å²	1	36 Å²	36	1%	0.006	19%	0.185	C	C	.	.	H	α-helix	trans	-55.2	-38.4	171.8	-29.8	34.8	0	0	0	113.9	L162 M163 T170 I623 L626 R627 I630	L162-P166 WeakPolarHBondContact O-CD 3.22Å; M163-P166 WeakPolarHBondContact O-CD 3.42Å; P166-T170 WeakPolarHBondContact O-CB 3.5Å; P166-T170 PolarHBondContact O-N 3.2Å; P166-T170 VanDerWaalsContact O-N 3.08Å; P166-T170 PolarHBondContact O-OG1 3.4Å; P166-I623 HydrophobicContact CB-CG2 3.73Å; P166-I623 WeakPolarHBondContact O-CG2 3.22Å; P166-L626 HydrophobicContact CG-CB 4.08Å; P166-R627 HydrophobicContact CB-CG 3.88Å; P166-R627 HydrophobicContact CG-CG 4.03Å; P166-I630 HydrophobicContact CG-CD1 4.13Å
167	Y	85.3	Confident	80.9	Confident	10 Å²	10	33.4 Å²	33.4	4%	0.039	17%	0.171	C	C	.	.	H	α-helix	trans	-69.9	-37.2	177.9	-72.8	-73.3	0	0	0	112.2	M163 I164 L165 Y171 K425 A426 F429 M624 R627	M163-Y167 HydrophobicContact CE-CE2 4.23Å; M163-Y167 WeakPolarHBondContact O-CD2 3.48Å; I164-Y167 CarbonylContact O-C 3.41Å; I164-Y167 WeakPolarHBondContact O-CA 3.35Å; I164-Y167 WeakPolarHBondContact O-CB 3.23Å; I164-Y167 PolarHBondContact O-N 3.49Å; L165-Y167 VanDerWaalsContact C-N 3.25Å; L165-Y167 PolarHBondContact O-N 3.44Å; Y167-Y171 AromaticContact CD1-CD2 3.73Å; Y167-Y171 HydrophobicContact CD1-CD2 3.73Å; Y167-Y171 AromaticContact CD1-CE2 3.62Å; Y167-Y171 HydrophobicContact CD1-CE2 3.62Å; Y167-Y171 HydrophobicContact CE1-CE2 4.11Å; Y167-Y171 WeakPolarHBondContact O-CB 3.43Å; Y167-Y171 PolarHBondContact O-N 3.41Å; Y167-K425 HydrophobicContact CD1-CB 4.5Å; Y167-K425 HydrophobicContact CE1-CB 4.04Å; Y167-K425 HydrophobicContact CE1-CD 4.43Å; Y167-K425 PolarHBondContact OH-O 3.34Å; Y167-A426 HydrophobicContact CD2-CB 4.21Å; Y167-A426 HydrophobicContact CE2-CB 4.07Å; Y167-F429 WeakPolarHBondContact OH-CB 3.28Å; Y167-M624 HydrophobicContact CD1-CE 4.25Å; Y167-M624 HydrophobicContact CD1-SD 4.34Å; Y167-M624 HydrophobicContact CE1-CE 3.85Å; Y167-M624 HydrophobicContact CE1-SD 4.37Å; Y167-R627 VanDerWaalsContact CZ-NH1 3.29Å; Y167-R627 PolarHBondContact OH-NH1 3.5Å
168	L	80.6	Confident	81.4	Confident	35 Å²	35	30.4 Å²	30.4	18%	0.183	16%	0.155	C	C	.	.	I	π-helix	trans	-62.3	-51.4	174.8	-73.8	168.9	0	0	0	110.9	L148 I164 L165 T170 Y172 I173 M419 L422	L148-L168 HydrophobicContact CD1-CD1 3.82Å; I164-L168 HydrophobicContact CG2-CD1 3.75Å; I164-L168 HydrophobicContact CG2-CD2 4.44Å; I164-L168 HydrophobicContact CG2-CG 3.75Å; I164-L168 PolarHBondContact O-N 2.91Å; L165-L168 WeakPolarHBondContact O-CB 3.36Å; L165-L168 PolarHBondContact O-N 2.96Å; L165-L168 VanDerWaalsContact O-N 3.16Å; L168-T170 VanDerWaalsContact C-N 3.28Å; L168-T170 PolarHBondContact O-N 3.16Å; L168-Y172 HydrophobicContact CD2-CD1 4.22Å; L168-Y172 HydrophobicContact CD2-CG 4.07Å; L168-Y172 WeakPolarHBondContact O-CA 3.45Å; L168-Y172 WeakPolarHBondContact O-CB 3.42Å; L168-Y172 PolarHBondContact O-N 3.24Å; L168-I173 PolarHBondContact O-N 3.42Å; L168-I173 VanDerWaalsContact O-N 3.07Å; L168-M419 HydrophobicContact CD2-CE 4.02Å; L168-M419 HydrophobicContact CD2-SD 3.7Å; L168-L422 HydrophobicContact CD2-CD1 3.76Å; L168-L422 HydrophobicContact CG-CD1 4.49Å
169	I	78.8	Confident	81.6	Confident	65 Å²	65	27.7 Å²	27.7	33%	0.333	14%	0.143	S	C	.	.	I	π-helix	trans	-64.1	-39	-177.6	-57.6	171.6	0	0	0	110.9	L165 I173 I623	L165-I169 HydrophobicContact CD2-CD1 3.61Å; L165-I169 HydrophobicContact CD2-CG1 4.48Å; L165-I169 HydrophobicContact CG-CD1 4.3Å; L165-I169 WeakPolarHBondContact O-CG1 3.32Å; L165-I169 PolarHBondContact O-N 2.72Å; I169-I173 HydrophobicContact CB-CD1 4.34Å; I169-I173 HydrophobicContact CG1-CD1 4.48Å; I169-I173 HydrophobicContact CG2-CD1 4.12Å; I169-I623 HydrophobicContact CB-CD1 4.19Å; I169-I623 HydrophobicContact CB-CG2 4.48Å; I169-I623 HydrophobicContact CG2-CD1 3.46Å; I169-I623 VanDerWaalsContact CG2-CD1 3.46Å
170	T	82.6	Confident	81.5	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.158	C	C	.	.	I	π-helix	trans	-80	-49.1	-174.7	-57.1	0	0	0	0	113.4	P166 L168 R174 E620 I623 M624	P166-T170 WeakPolarHBondContact O-CB 3.5Å; P166-T170 PolarHBondContact O-N 3.2Å; P166-T170 VanDerWaalsContact O-N 3.08Å; P166-T170 PolarHBondContact O-OG1 3.4Å; L168-T170 VanDerWaalsContact C-N 3.28Å; L168-T170 PolarHBondContact O-N 3.16Å; T170-R174 WeakPolarHBondContact O-CB 3.15Å; T170-E620 HydrophobicContact CG2-CB 3.61Å; T170-E620 VanDerWaalsContact CG2-CD 3.44Å; T170-E620 HydrophobicContact CG2-CG 3.29Å; T170-E620 WeakPolarHBondContact CG2-OE1 3.44Å; T170-I623 VanDerWaalsContact OG1-CG2 3.28Å; T170-I623 WeakPolarHBondContact OG1-CG2 3.32Å; T170-M624 HydrophobicContact CG2-CG 4.12Å; T170-M624 HydrophobicContact CG2-SD 4.39Å
171	Y	82	Confident	81.6	Confident	36 Å²	36	30.2 Å²	30.2	14%	0.141	15%	0.153	C	C	.	.	I	π-helix	trans	-98.6	-46.2	-172.4	-67.2	-83.7	0	0	0	112.3	Y167 W175 L422 E620 M624	Y167-Y171 AromaticContact CD1-CD2 3.73Å; Y167-Y171 HydrophobicContact CD1-CD2 3.73Å; Y167-Y171 AromaticContact CD1-CE2 3.62Å; Y167-Y171 HydrophobicContact CD1-CE2 3.62Å; Y167-Y171 HydrophobicContact CE1-CE2 4.11Å; Y167-Y171 WeakPolarHBondContact O-CB 3.43Å; Y167-Y171 PolarHBondContact O-N 3.41Å; Y171-W175 WeakPolarHBondContact O-CB 3.38Å; Y171-W175 PolarHBondContact O-N 3.38Å; Y171-L422 HydrophobicContact CD2-CD2 4.44Å; Y171-L422 HydrophobicContact CG-CD2 4.37Å; Y171-E620 PolarHBondContact OH-OE1 3.32Å; Y171-M624 HydrophobicContact CE2-CE 3.64Å; Y171-M624 HydrophobicContact CE2-SD 4.07Å
172	Y	79.5	Confident	82	Confident	18 Å²	18	30.5 Å²	30.5	7%	0.071	15%	0.151	C	C	.	.	I	π-helix	trans	-70.7	-49.7	-172.4	-175.8	-104.5	0	0	0	112	L141 L168 R174 W175 L176 I418 M419 L422	L141-Y172 WeakPolarHBondContact CD1-OH 3.32Å; L141-Y172 WeakPolarHBondContact CD2-OH 3.47Å; L168-Y172 HydrophobicContact CD2-CD1 4.22Å; L168-Y172 HydrophobicContact CD2-CG 4.07Å; L168-Y172 WeakPolarHBondContact O-CA 3.45Å; L168-Y172 WeakPolarHBondContact O-CB 3.42Å; L168-Y172 PolarHBondContact O-N 3.24Å; Y172-R174 VanDerWaalsContact C-N 3.34Å; Y172-R174 PolarHBondContact O-N 2.82Å; Y172-W175 PolarHBondContact O-N 2.99Å; Y172-L176 HydrophobicContact CD1-CD1 3.79Å; Y172-L176 HydrophobicContact CD1-CG 4.32Å; Y172-L176 HydrophobicContact CE1-CD1 3.21Å; Y172-L176 HydrophobicContact CE1-CG 3.91Å; Y172-L176 HydrophobicContact CE2-CD1 4.5Å; Y172-L176 HydrophobicContact CE2-CG 4.38Å; Y172-L176 PolarHBondContact O-N 3.46Å; Y172-I418 HydrophobicContact CD2-CG2 4.09Å; Y172-M419 HydrophobicContact CD2-SD 3.96Å; Y172-M419 HydrophobicContact CE2-CG 4.25Å; Y172-M419 HydrophobicContact CE2-SD 3.96Å; Y172-L422 HydrophobicContact CD2-CD1 4.4Å
173	I	77.1	Confident	82.1	Confident	75 Å²	75	29.2 Å²	29.2	39%	0.385	14%	0.141	S	C	.	.	H	α-helix	trans	-59	-46.1	177.4	-63.5	-179.2	0	0	0	110.7	L168 I169 W175 L176 L177	L168-I173 PolarHBondContact O-N 3.42Å; L168-I173 VanDerWaalsContact O-N 3.07Å; I169-I173 HydrophobicContact CB-CD1 4.34Å; I169-I173 HydrophobicContact CG1-CD1 4.48Å; I169-I173 HydrophobicContact CG2-CD1 4.12Å; I173-W175 VanDerWaalsContact C-N 3.3Å; I173-W175 PolarHBondContact O-N 2.98Å; I173-L176 PolarHBondContact O-N 3.41Å; I173-L177 HydrophobicContact CG2-CD1 3.92Å; I173-L177 HydrophobicContact CG2-CG 4.23Å; I173-L177 VanDerWaalsContact O-CG 3.28Å; I173-L177 WeakPolarHBondContact O-CG 3.28Å; I173-L177 PolarHBondContact O-N 3.44Å
174	R	83.5	Confident	82.1	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-58.2	-44.4	178.2	178.3	171.1	65	-161.6	-6	112	T170 Y172 L177 L178 N494 F497 E620	T170-R174 WeakPolarHBondContact O-CB 3.15Å; Y172-R174 VanDerWaalsContact C-N 3.34Å; Y172-R174 PolarHBondContact O-N 2.82Å; R174-L177 PolarHBondContact O-N 2.79Å; R174-L178 HydrophobicContact CG-CD1 4.12Å; R174-L178 WeakPolarHBondContact O-CG 3.44Å; R174-L178 PolarHBondContact O-N 3.15Å; R174-L178 VanDerWaalsContact O-N 3.11Å; R174-N494 PolarHBondContact NH1-OD1 3.2Å; R174-F497 HydrophobicContact CG-CD1 4.27Å; R174-F497 HydrophobicContact CG-CE1 4.37Å; R174-F497 VanDerWaalsContact CZ-CD2 3.41Å; R174-F497 VanDerWaalsContact CZ-CE2 3.41Å; R174-E620 IonicContact CZ-OE2 2.67Å; R174-E620 IonicContact NH1-OE2 2.61Å; R174-E620 PolarHBondContact NH1-OE2 3.38Å; R174-E620 IonicContact NH2-OE1 3.21Å; R174-E620 IonicContact NH2-OE2 2.76Å
175	W	82.1	Confident	82.2	Confident	29 Å²	29	30.5 Å²	30.5	11%	0.11	15%	0.148	C	C	.	.	H	α-helix	trans	-66.2	-43.7	179.2	-177.8	78.9	0	0	0	111.9	Y171 Y172 I173 L177 L178 L179 L414 I418 W500	Y171-W175 WeakPolarHBondContact O-CB 3.38Å; Y171-W175 PolarHBondContact O-N 3.38Å; Y172-W175 PolarHBondContact O-N 2.99Å; I173-W175 VanDerWaalsContact C-N 3.3Å; I173-W175 PolarHBondContact O-N 2.98Å; W175-L177 PolarHBondContact O-N 3.34Å; W175-L178 PolarHBondContact O-N 3.3Å; W175-L179 HydrophobicContact CD2-CD1 3.72Å; W175-L179 HydrophobicContact CD2-CG 4.01Å; W175-L179 VanDerWaalsContact CE2-CD1 3.5Å; W175-L179 HydrophobicContact CE3-CD1 3.55Å; W175-L179 HydrophobicContact CE3-CG 4.31Å; W175-L179 HydrophobicContact CH2-CD1 3.01Å; W175-L179 HydrophobicContact CH2-CG 4.07Å; W175-L179 HydrophobicContact CZ2-CD1 3.13Å; W175-L179 HydrophobicContact CZ2-CD2 3.86Å; W175-L179 HydrophobicContact CZ2-CG 3.68Å; W175-L179 HydrophobicContact CZ3-CD1 3.21Å; W175-L179 HydrophobicContact CZ3-CG 4.35Å; W175-L179 WeakPolarHBondContact O-CG 3.48Å; W175-L179 PolarHBondContact O-N 2.94Å; W175-L414 HydrophobicContact CH2-CB 3.45Å; W175-L414 VanDerWaalsContact CH2-CB 3.45Å; W175-L414 HydrophobicContact CZ2-CB 3.42Å; W175-L414 VanDerWaalsContact CZ2-CB 3.42Å; W175-L414 HydrophobicContact CZ2-CD1 4.09Å; W175-L414 HydrophobicContact CZ2-CG 4.33Å; W175-I418 HydrophobicContact CD2-CD1 3.09Å; W175-I418 HydrophobicContact CE3-CD1 3.44Å; W175-I418 VanDerWaalsContact CE3-CD1 3.44Å; W175-I418 HydrophobicContact CG-CD1 3.58Å; W175-I418 HydrophobicContact CH2-CD1 3.66Å; W175-I418 HydrophobicContact CZ2-CD1 3.39Å; W175-I418 HydrophobicContact CZ3-CD1 3.7Å; W175-W500 AromaticContact CD1-CZ3 4Å
176	L	77.1	Confident	82.4	Confident	64 Å²	64	30 Å²	30	34%	0.335	15%	0.145	S	C	.	.	H	α-helix	trans	-58.7	-44.9	174	-79.4	-178.2	0	0	0	112.5	Y172 I173 L178 L179 F180	Y172-L176 HydrophobicContact CD1-CD1 3.79Å; Y172-L176 HydrophobicContact CD1-CG 4.32Å; Y172-L176 HydrophobicContact CE1-CD1 3.21Å; Y172-L176 HydrophobicContact CE1-CG 3.91Å; Y172-L176 HydrophobicContact CE2-CD1 4.5Å; Y172-L176 HydrophobicContact CE2-CG 4.38Å; Y172-L176 PolarHBondContact O-N 3.46Å; I173-L176 PolarHBondContact O-N 3.41Å; L176-L178 VanDerWaalsContact C-N 3.34Å; L176-L178 PolarHBondContact O-N 3.03Å; L176-L179 PolarHBondContact O-N 3.31Å; L176-F180 WeakPolarHBondContact O-CB 3.31Å; L176-F180 PolarHBondContact O-N 3.18Å
177	L	84.6	Confident	82.2	Confident	22 Å²	22	33.2 Å²	33.2	12%	0.115	16%	0.159	C	C	.	.	H	α-helix	trans	-60.3	-44.4	178.5	-72.6	171.4	0	0	0	111.9	I173 R174 W175 F180 A181 L609 L612 T613	I173-L177 HydrophobicContact CG2-CD1 3.92Å; I173-L177 HydrophobicContact CG2-CG 4.23Å; I173-L177 VanDerWaalsContact O-CG 3.28Å; I173-L177 WeakPolarHBondContact O-CG 3.28Å; I173-L177 PolarHBondContact O-N 3.44Å; R174-L177 PolarHBondContact O-N 2.79Å; W175-L177 PolarHBondContact O-N 3.34Å; L177-F180 PolarHBondContact O-N 3.04Å; L177-A181 WeakPolarHBondContact O-CB 3.35Å; L177-A181 PolarHBondContact O-N 3.5Å; L177-L609 HydrophobicContact CD2-CD2 3.68Å; L177-L612 HydrophobicContact CD1-CB 4.19Å; L177-L612 HydrophobicContact CD1-CD2 3.81Å; L177-L612 HydrophobicContact CD1-CG 3.71Å; L177-L612 HydrophobicContact CD2-CD2 3.67Å; L177-L612 HydrophobicContact CD2-CG 4.41Å; L177-L612 HydrophobicContact CG-CD2 4.41Å; L177-T613 HydrophobicContact CB-CG2 3.4Å; L177-T613 HydrophobicContact CD1-CG2 3.98Å; L177-T613 HydrophobicContact CG-CG2 4.34Å
178	L	85.2	Confident	82	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-69.7	-40	178.9	-71.8	167.3	0	0	0	111.9	R174 W175 L176 F180 A181 T182 F497 W500 I501 I504 L610 T613	R174-L178 HydrophobicContact CG-CD1 4.12Å; R174-L178 WeakPolarHBondContact O-CG 3.44Å; R174-L178 PolarHBondContact O-N 3.15Å; R174-L178 VanDerWaalsContact O-N 3.11Å; W175-L178 PolarHBondContact O-N 3.3Å; L176-L178 VanDerWaalsContact C-N 3.34Å; L176-L178 PolarHBondContact O-N 3.03Å; L178-F180 VanDerWaalsContact C-N 3.34Å; L178-F180 PolarHBondContact O-N 3.31Å; L178-A181 WeakPolarHBondContact O-CB 3.42Å; L178-A181 PolarHBondContact O-N 2.94Å; L178-T182 WeakPolarHBondContact O-CG2 3.43Å; L178-T182 PolarHBondContact O-N 3.4Å; L178-T182 PolarHBondContact O-OG1 3.32Å; L178-F497 HydrophobicContact CD1-CB 4.41Å; L178-F497 HydrophobicContact CD1-CD1 3.48Å; L178-F497 VanDerWaalsContact CD1-CD1 3.48Å; L178-F497 HydrophobicContact CD1-CE1 4.21Å; L178-F497 HydrophobicContact CD1-CG 4.38Å; L178-W500 HydrophobicContact CB-CD2 4.3Å; L178-W500 HydrophobicContact CB-CE3 3.51Å; L178-W500 HydrophobicContact CB-CH2 3.65Å; L178-W500 HydrophobicContact CB-CZ2 4.45Å; L178-W500 HydrophobicContact CB-CZ3 3.13Å; L178-W500 HydrophobicContact CD1-CE3 3.51Å; L178-W500 HydrophobicContact CD1-CZ3 3.79Å; L178-W500 HydrophobicContact CG-CE3 4.02Å; L178-W500 HydrophobicContact CG-CZ3 4.06Å; L178-I501 HydrophobicContact CD2-CD1 4.37Å; L178-I501 HydrophobicContact CD2-CG1 3.61Å; L178-I504 HydrophobicContact CD2-CD1 4.34Å; L178-L610 HydrophobicContact CD2-CD2 4.22Å; L178-T613 HydrophobicContact CD2-CG2 3.83Å; L178-T613 HydrophobicContact CG-CG2 3.72Å
179	L	82.2	Confident	82	Confident	18 Å²	18	33.2 Å²	33.2	9%	0.094	16%	0.159	C	C	.	.	H	α-helix	trans	-59.7	-46.5	172.6	-80.5	-178.4	0	0	0	112.3	W175 L176 A181 T182 Y183 L411 W500	W175-L179 HydrophobicContact CD2-CD1 3.72Å; W175-L179 HydrophobicContact CD2-CG 4.01Å; W175-L179 VanDerWaalsContact CE2-CD1 3.5Å; W175-L179 HydrophobicContact CE3-CD1 3.55Å; W175-L179 HydrophobicContact CE3-CG 4.31Å; W175-L179 HydrophobicContact CH2-CD1 3.01Å; W175-L179 HydrophobicContact CH2-CG 4.07Å; W175-L179 HydrophobicContact CZ2-CD1 3.13Å; W175-L179 HydrophobicContact CZ2-CD2 3.86Å; W175-L179 HydrophobicContact CZ2-CG 3.68Å; W175-L179 HydrophobicContact CZ3-CD1 3.21Å; W175-L179 HydrophobicContact CZ3-CG 4.35Å; W175-L179 WeakPolarHBondContact O-CG 3.48Å; W175-L179 PolarHBondContact O-N 2.94Å; L176-L179 PolarHBondContact O-N 3.31Å; L179-A181 VanDerWaalsContact C-N 3.29Å; L179-A181 PolarHBondContact O-N 2.86Å; L179-T182 VanDerWaalsContact CA-OG1 3.32Å; L179-T182 WeakPolarHBondContact CA-OG1 3.48Å; L179-T182 CarbonylContact O-C 3.6Å; L179-T182 PolarHBondContact O-N 2.89Å; L179-T182 VanDerWaalsContact O-N 3.1Å; L179-T182 PolarHBondContact O-OG1 3.49Å; L179-Y183 WeakPolarHBondContact O-CB 2.9Å; L179-Y183 PolarHBondContact O-N 3.16Å; L179-L411 HydrophobicContact CB-CD2 4Å; L179-L411 HydrophobicContact CD1-CD2 3.42Å; L179-L411 VanDerWaalsContact CD1-CD2 3.42Å; L179-L411 HydrophobicContact CD2-CD2 3.55Å; L179-L411 HydrophobicContact CG-CD2 3.87Å; L179-W500 HydrophobicContact CD2-CH2 3.77Å; L179-W500 HydrophobicContact CD2-CZ2 4.13Å; L179-W500 HydrophobicContact CG-CH2 4.04Å
180	F	80.6	Confident	82	Confident	72 Å²	72	32.8 Å²	32.8	32%	0.316	16%	0.157	S	C	.	.	H	α-helix	trans	-63.6	-40.5	-179.8	-169.1	-117.9	0	0	0	110.7	L176 L177 L178 T182 Y183 I184 L609	L176-F180 WeakPolarHBondContact O-CB 3.31Å; L176-F180 PolarHBondContact O-N 3.18Å; L177-F180 PolarHBondContact O-N 3.04Å; L178-F180 VanDerWaalsContact C-N 3.34Å; L178-F180 PolarHBondContact O-N 3.31Å; F180-T182 PolarHBondContact O-N 3.26Å; F180-Y183 PolarHBondContact O-N 3.02Å; F180-I184 HydrophobicContact CD1-CD1 3.76Å; F180-I184 HydrophobicContact CE1-CD1 3.34Å; F180-I184 HydrophobicContact CE1-CG1 4.38Å; F180-I184 HydrophobicContact CE2-CD1 4.18Å; F180-I184 HydrophobicContact CE2-CG1 4.42Å; F180-I184 HydrophobicContact CG-CD1 4.32Å; F180-I184 HydrophobicContact CZ-CD1 3.58Å; F180-I184 HydrophobicContact CZ-CG1 4.27Å; F180-I184 WeakPolarHBondContact O-CG1 3.4Å; F180-I184 PolarHBondContact O-N 3.38Å; F180-L609 HydrophobicContact CD1-CD1 3.44Å; F180-L609 VanDerWaalsContact CD1-CD1 3.44Å; F180-L609 HydrophobicContact CD1-CD2 3.9Å; F180-L609 HydrophobicContact CD1-CG 4.32Å; F180-L609 HydrophobicContact CE1-CD1 4.01Å; F180-L609 HydrophobicContact CG-CD1 4.41Å
181	A	85.9	Confident	81.9	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.5	-43.4	170.7	0	0	0	0	0	112.1	L177 L178 L179 S185 I504 L609 L610	L177-A181 WeakPolarHBondContact O-CB 3.35Å; L177-A181 PolarHBondContact O-N 3.5Å; L178-A181 WeakPolarHBondContact O-CB 3.42Å; L178-A181 PolarHBondContact O-N 2.94Å; L179-A181 VanDerWaalsContact C-N 3.29Å; L179-A181 PolarHBondContact O-N 2.86Å; A181-S185 VanDerWaalsContact O-CB 3.22Å; A181-S185 WeakPolarHBondContact O-CB 3.1Å; A181-S185 PolarHBondContact O-N 3.21Å; A181-S185 PolarHBondContact O-OG 3.35Å; A181-I504 HydrophobicContact CB-CD1 4.24Å; A181-L609 HydrophobicContact CB-CB 4.21Å; A181-L609 HydrophobicContact CB-CD1 4.23Å; A181-L610 HydrophobicContact CB-CD2 4.48Å
182	T	84.5	Confident	81.6	Confident	26 Å²	26	36.3 Å²	36.3	16%	0.16	18%	0.178	C	C	.	.	H	α-helix	trans	-66	-40.8	175.9	57.1	0	0	0	0	112.8	L178 L179 F180 S185 I186 W500 I504	L178-T182 WeakPolarHBondContact O-CG2 3.43Å; L178-T182 PolarHBondContact O-N 3.4Å; L178-T182 PolarHBondContact O-OG1 3.32Å; L179-T182 VanDerWaalsContact CA-OG1 3.32Å; L179-T182 WeakPolarHBondContact CA-OG1 3.48Å; L179-T182 CarbonylContact O-C 3.6Å; L179-T182 PolarHBondContact O-N 2.89Å; L179-T182 VanDerWaalsContact O-N 3.1Å; L179-T182 PolarHBondContact O-OG1 3.49Å; F180-T182 PolarHBondContact O-N 3.26Å; T182-S185 PolarHBondContact O-N 3.31Å; T182-I186 WeakPolarHBondContact O-CB 3.25Å; T182-I186 VanDerWaalsContact O-CG1 3.27Å; T182-I186 WeakPolarHBondContact O-CG1 2.94Å; T182-I186 PolarHBondContact O-N 2.98Å; T182-W500 HydrophobicContact CG2-CZ2 3.61Å; T182-I504 HydrophobicContact CG2-CD1 3.64Å; T182-I504 HydrophobicContact CG2-CG1 3.93Å
183	Y	82	Confident	81.5	Confident	52 Å²	52	38.3 Å²	38.3	20%	0.204	19%	0.19	C	C	.	.	H	α-helix	trans	-62	-51.2	179.5	173.7	-101.3	0	0	0	110.6	L179 F180 S185 I186 F187 I407 L411	L179-Y183 WeakPolarHBondContact O-CB 2.9Å; L179-Y183 PolarHBondContact O-N 3.16Å; F180-Y183 PolarHBondContact O-N 3.02Å; Y183-S185 VanDerWaalsContact C-N 3.34Å; Y183-S185 PolarHBondContact O-N 3.2Å; Y183-I186 PolarHBondContact O-N 3.36Å; Y183-F187 WeakPolarHBondContact O-CB 3.01Å; Y183-F187 PolarHBondContact O-N 3.48Å; Y183-I407 HydrophobicContact CD2-CG2 3.89Å; Y183-I407 HydrophobicContact CE2-CG2 4.26Å; Y183-L411 HydrophobicContact CD2-CD1 4.47Å
184	I	83.5	Confident	81.5	Confident	26 Å²	26	37 Å²	37	13%	0.133	18%	0.183	C	C	.	.	H	α-helix	trans	-62	-44.4	176	-63.5	171.8	0	0	0	109.9	F180 I186 F187 N188 I605 I606 L609	F180-I184 HydrophobicContact CD1-CD1 3.76Å; F180-I184 HydrophobicContact CE1-CD1 3.34Å; F180-I184 HydrophobicContact CE1-CG1 4.38Å; F180-I184 HydrophobicContact CE2-CD1 4.18Å; F180-I184 HydrophobicContact CE2-CG1 4.42Å; F180-I184 HydrophobicContact CG-CD1 4.32Å; F180-I184 HydrophobicContact CZ-CD1 3.58Å; F180-I184 HydrophobicContact CZ-CG1 4.27Å; F180-I184 WeakPolarHBondContact O-CG1 3.4Å; F180-I184 PolarHBondContact O-N 3.38Å; I184-I186 PolarHBondContact O-N 3.23Å; I184-F187 PolarHBondContact O-N 3.08Å; I184-N188 WeakPolarHBondContact O-CB 3.1Å; I184-N188 PolarHBondContact O-N 2.93Å; I184-I605 HydrophobicContact CD1-CG2 3.9Å; I184-I606 HydrophobicContact CB-CG1 4.19Å; I184-I606 HydrophobicContact CG2-CD1 3.83Å; I184-I606 HydrophobicContact CG2-CG1 3.72Å; I184-L609 HydrophobicContact CD1-CD1 4.09Å
185	S	84.8	Confident	81	Confident	2 Å²	2	41 Å²	41	1%	0.014	20%	0.199	C	C	.	.	H	α-helix	trans	-59.9	-48.6	-179.2	-60.3	0	0	0	0	111.8	A181 T182 Y183 N188 I189	A181-S185 VanDerWaalsContact O-CB 3.22Å; A181-S185 WeakPolarHBondContact O-CB 3.1Å; A181-S185 PolarHBondContact O-N 3.21Å; A181-S185 PolarHBondContact O-OG 3.35Å; T182-S185 PolarHBondContact O-N 3.31Å; Y183-S185 VanDerWaalsContact C-N 3.34Å; Y183-S185 PolarHBondContact O-N 3.2Å; S185-N188 PolarHBondContact O-N 2.92Å; S185-I189 WeakPolarHBondContact O-CD1 3.48Å; S185-I189 WeakPolarHBondContact O-CG1 3.3Å; S185-I189 PolarHBondContact O-N 3.21Å
186	I	82.8	Confident	80.7	Confident	78 Å²	78	40.8 Å²	40.8	40%	0.4	20%	0.201	S	C	.	.	H	α-helix	trans	-62.6	-47.5	179	-69.1	166.6	0	0	0	110.7	T182 Y183 I184 N188 I189 I190	T182-I186 WeakPolarHBondContact O-CB 3.25Å; T182-I186 VanDerWaalsContact O-CG1 3.27Å; T182-I186 WeakPolarHBondContact O-CG1 2.94Å; T182-I186 PolarHBondContact O-N 2.98Å; Y183-I186 PolarHBondContact O-N 3.36Å; I184-I186 PolarHBondContact O-N 3.23Å; I186-N188 VanDerWaalsContact C-N 3.34Å; I186-N188 PolarHBondContact O-N 3.02Å; I186-I189 WeakPolarHBondContact O-CB 3.28Å; I186-I189 PolarHBondContact O-N 3.35Å; I186-I190 HydrophobicContact CG2-CD1 3.83Å; I186-I190 WeakPolarHBondContact O-CG1 3.12Å; I186-I190 PolarHBondContact O-N 2.92Å
187	F	81	Confident	80.6	Confident	69 Å²	69	44 Å²	44	30%	0.303	21%	0.213	S	C	.	.	H	α-helix	trans	-66.1	-39.2	-178.7	-169.4	-110.5	0	0	0	112	Y183 I184 I189 I190 L191 I400	Y183-F187 WeakPolarHBondContact O-CB 3.01Å; Y183-F187 PolarHBondContact O-N 3.48Å; I184-F187 PolarHBondContact O-N 3.08Å; F187-I189 VanDerWaalsContact C-N 3.34Å; F187-I189 PolarHBondContact O-N 2.78Å; F187-I190 PolarHBondContact O-N 3.26Å; F187-L191 HydrophobicContact CD1-CD1 3.67Å; F187-L191 HydrophobicContact CD1-CG 4.11Å; F187-L191 HydrophobicContact CE1-CD1 3.2Å; F187-L191 HydrophobicContact CE1-CD2 4.32Å; F187-L191 HydrophobicContact CE1-CG 3.78Å; F187-L191 HydrophobicContact CE2-CD2 4.44Å; F187-L191 HydrophobicContact CE2-CG 4.36Å; F187-L191 HydrophobicContact CZ-CD1 3.74Å; F187-L191 HydrophobicContact CZ-CD2 3.98Å; F187-L191 HydrophobicContact CZ-CG 3.9Å; F187-L191 WeakPolarHBondContact O-CB 3.42Å; F187-L191 WeakPolarHBondContact O-CG 3.46Å; F187-L191 PolarHBondContact O-N 2.81Å; F187-I400 HydrophobicContact CE2-CG2 4.06Å
188	N	81	Confident	80	Confident	4 Å²	4	49.2 Å²	49.2	2%	0.021	24%	0.237	C	C	.	.	H	α-helix	trans	-62.2	-39.4	174.8	-169.6	59	0	0	0	111.7	I184 S185 I186 N192 N602	I184-N188 WeakPolarHBondContact O-CB 3.1Å; I184-N188 PolarHBondContact O-N 2.93Å; S185-N188 PolarHBondContact O-N 2.92Å; I186-N188 VanDerWaalsContact C-N 3.34Å; I186-N188 PolarHBondContact O-N 3.02Å; N188-N192 WeakPolarHBondContact O-CB 3.44Å; N188-N192 PolarHBondContact O-N 3.44Å; N188-N192 PolarHBondContact O-ND2 2.96Å; N188-N602 PolarHBondContact OD1-ND2 2.91Å
189	I	81.5	Confident	79.4	Confident	41 Å²	41	50.5 Å²	50.5	21%	0.21	24%	0.243	C	C	.	.	H	α-helix	trans	-59.6	-52.4	171.9	-64.4	156.3	0	0	0	110.5	S185 I186 F187 L191 N192 L193 I507 I511	S185-I189 WeakPolarHBondContact O-CD1 3.48Å; S185-I189 WeakPolarHBondContact O-CG1 3.3Å; S185-I189 PolarHBondContact O-N 3.21Å; I186-I189 WeakPolarHBondContact O-CB 3.28Å; I186-I189 PolarHBondContact O-N 3.35Å; F187-I189 VanDerWaalsContact C-N 3.34Å; F187-I189 PolarHBondContact O-N 2.78Å; I189-L191 PolarHBondContact O-N 3.42Å; I189-N192 PolarHBondContact O-N 3.31Å; I189-L193 HydrophobicContact CG2-CD1 3.66Å; I189-L193 HydrophobicContact CG2-CG 4.19Å; I189-L193 WeakPolarHBondContact O-CB 3.17Å; I189-L193 WeakPolarHBondContact O-CG 3.11Å; I189-L193 PolarHBondContact O-N 3.42Å; I189-I507 HydrophobicContact CD1-CG2 3.27Å; I189-I507 HydrophobicContact CG1-CG2 4.16Å; I189-I511 HydrophobicContact CB-CD1 4.37Å; I189-I511 HydrophobicContact CB-CG1 4.49Å; I189-I511 HydrophobicContact CD1-CD1 4.07Å; I189-I511 HydrophobicContact CD1-CG1 4.43Å; I189-I511 HydrophobicContact CG1-CD1 3.19Å; I189-I511 HydrophobicContact CG1-CG1 3.5Å
190	I	79.3	Confident	78.9	Confident	56 Å²	56	52.5 Å²	52.5	29%	0.287	25%	0.253	S	S	.	.	H	α-helix	trans	-59.5	-49.2	-175.3	-68.9	168	0	0	0	109.7	I186 F187 L193 L194 I400	I186-I190 HydrophobicContact CG2-CD1 3.83Å; I186-I190 WeakPolarHBondContact O-CG1 3.12Å; I186-I190 PolarHBondContact O-N 2.92Å; F187-I190 PolarHBondContact O-N 3.26Å; I190-L193 PolarHBondContact O-N 3.16Å; I190-L194 HydrophobicContact CG2-CD1 3.63Å; I190-L194 HydrophobicContact CG2-CG 4.41Å; I190-L194 WeakPolarHBondContact O-CB 3.38Å; I190-L194 WeakPolarHBondContact O-CD1 3.48Å; I190-L194 WeakPolarHBondContact O-CG 3.22Å; I190-L194 PolarHBondContact O-N 3.26Å; I190-I400 HydrophobicContact CG2-CD1 4.26Å; I190-I400 HydrophobicContact CG2-CG1 4.15Å
191	L	79.1	Confident	78.5	Confident	75 Å²	75	51.2 Å²	51.2	39%	0.393	25%	0.247	S	C	.	.	H	α-helix	trans	-62.4	-45	178	-71.4	-175	0	0	0	112.6	F187 I189 L193 L194 Y195	F187-L191 HydrophobicContact CD1-CD1 3.67Å; F187-L191 HydrophobicContact CD1-CG 4.11Å; F187-L191 HydrophobicContact CE1-CD1 3.2Å; F187-L191 HydrophobicContact CE1-CD2 4.32Å; F187-L191 HydrophobicContact CE1-CG 3.78Å; F187-L191 HydrophobicContact CE2-CD2 4.44Å; F187-L191 HydrophobicContact CE2-CG 4.36Å; F187-L191 HydrophobicContact CZ-CD1 3.74Å; F187-L191 HydrophobicContact CZ-CD2 3.98Å; F187-L191 HydrophobicContact CZ-CG 3.9Å; F187-L191 WeakPolarHBondContact O-CB 3.42Å; F187-L191 WeakPolarHBondContact O-CG 3.46Å; F187-L191 PolarHBondContact O-N 2.81Å; I189-L191 PolarHBondContact O-N 3.42Å; L191-L193 VanDerWaalsContact C-N 3.34Å; L191-L193 PolarHBondContact O-N 3.24Å; L191-L194 PolarHBondContact O-N 3.11Å; L191-Y195 VanDerWaalsContact O-CB 3.29Å; L191-Y195 WeakPolarHBondContact O-CB 3.39Å; L191-Y195 PolarHBondContact O-N 3.4Å
192	N	77.2	Confident	77.9	Confident	35 Å²	35	54.3 Å²	54.3	19%	0.187	27%	0.269	C	S	.	.	H	α-helix	trans	-64.8	-38.9	179.4	-73.3	-14.3	0	0	0	112.2	N188 I189 S196	N188-N192 WeakPolarHBondContact O-CB 3.44Å; N188-N192 PolarHBondContact O-N 3.44Å; N188-N192 PolarHBondContact O-ND2 2.96Å; I189-N192 PolarHBondContact O-N 3.31Å; N192-S196 VanDerWaalsContact O-CB 3.3Å; N192-S196 WeakPolarHBondContact O-CB 3.45Å; N192-S196 PolarHBondContact O-N 3.41Å; N192-S196 PolarHBondContact O-OG 3.09Å
193	L	76.2	Confident	77.3	Confident	60 Å²	60	54.5 Å²	54.5	31%	0.314	27%	0.267	S	S	.	.	H	α-helix	trans	-65.5	-48	174.9	-75.7	175.6	0	0	0	110.9	I189 I190 L191 Y195 S196 F197 I514	I189-L193 HydrophobicContact CG2-CD1 3.66Å; I189-L193 HydrophobicContact CG2-CG 4.19Å; I189-L193 WeakPolarHBondContact O-CB 3.17Å; I189-L193 WeakPolarHBondContact O-CG 3.11Å; I189-L193 PolarHBondContact O-N 3.42Å; I190-L193 PolarHBondContact O-N 3.16Å; L191-L193 VanDerWaalsContact C-N 3.34Å; L191-L193 PolarHBondContact O-N 3.24Å; L193-Y195 VanDerWaalsContact C-N 3.32Å; L193-Y195 PolarHBondContact O-N 3.45Å; L193-S196 WeakPolarHBondContact O-CB 3.45Å; L193-S196 PolarHBondContact O-N 2.72Å; L193-S196 VanDerWaalsContact O-N 3.16Å; L193-F197 HydrophobicContact CB-CD2 4.41Å; L193-F197 HydrophobicContact CB-CE2 4.4Å; L193-F197 WeakPolarHBondContact O-CD2 3.15Å; L193-F197 PolarHBondContact O-N 3.12Å; L193-I514 HydrophobicContact CD2-CG2 4.22Å
194	L	77	Confident	76.8	Confident	47 Å²	47	56.6 Å²	56.6	25%	0.246	28%	0.278	C	S	.	.	H	α-helix	trans	-59.4	-45	178.9	-72	162.9	0	0	0	111.8	I190 L191 S196 F197 E198 L396 I400	I190-L194 HydrophobicContact CG2-CD1 3.63Å; I190-L194 HydrophobicContact CG2-CG 4.41Å; I190-L194 WeakPolarHBondContact O-CB 3.38Å; I190-L194 WeakPolarHBondContact O-CD1 3.48Å; I190-L194 WeakPolarHBondContact O-CG 3.22Å; I190-L194 PolarHBondContact O-N 3.26Å; L191-L194 PolarHBondContact O-N 3.11Å; L194-S196 VanDerWaalsContact C-N 3.32Å; L194-S196 PolarHBondContact O-N 3.37Å; L194-F197 PolarHBondContact O-N 3.1Å; L194-E198 WeakPolarHBondContact O-CB 3.3Å; L194-E198 PolarHBondContact O-N 3.28Å; L194-L396 HydrophobicContact CD2-CD1 4.23Å; L194-I400 HydrophobicContact CD1-CD1 3.19Å; L194-I400 HydrophobicContact CD1-CG1 4.31Å; L194-I400 HydrophobicContact CG-CD1 4.45Å
195	Y	74.2	Confident	76.3	Confident	86 Å²	86	57.8 Å²	57.8	34%	0.337	28%	0.284	S	S	.	.	H	α-helix	trans	-61.1	-42.2	176	-177.2	-107	0	0	0	112.3	L191 L193 E198 K199 I596	L191-Y195 VanDerWaalsContact O-CB 3.29Å; L191-Y195 WeakPolarHBondContact O-CB 3.39Å; L191-Y195 PolarHBondContact O-N 3.4Å; L193-Y195 VanDerWaalsContact C-N 3.32Å; L193-Y195 PolarHBondContact O-N 3.45Å; Y195-E198 PolarHBondContact O-N 3.03Å; Y195-K199 HydrophobicContact CD1-CD 4.4Å; Y195-K199 HydrophobicContact CE1-CD 3.85Å; Y195-K199 PolarHBondContact O-N 3.48Å; Y195-K199 WeakPolarHBondContact OH-CE 3.41Å; Y195-K199 PolarHBondContact OH-NZ 3.02Å; Y195-I596 WeakPolarHBondContact OH-CB 3.44Å; Y195-I596 WeakPolarHBondContact OH-CD1 3.4Å; Y195-I596 WeakPolarHBondContact OH-CG1 3.43Å
196	S	74.5	Confident	75.7	Confident	23 Å²	23	59.8 Å²	59.8	16%	0.161	30%	0.298	C	S	.	.	H	α-helix	trans	-62.5	-43.8	175.3	-64.1	0	0	0	0	111.9	N192 L193 L194 K199 L200	N192-S196 VanDerWaalsContact O-CB 3.3Å; N192-S196 WeakPolarHBondContact O-CB 3.45Å; N192-S196 PolarHBondContact O-N 3.41Å; N192-S196 PolarHBondContact O-OG 3.09Å; L193-S196 WeakPolarHBondContact O-CB 3.45Å; L193-S196 PolarHBondContact O-N 2.72Å; L193-S196 VanDerWaalsContact O-N 3.16Å; L194-S196 VanDerWaalsContact C-N 3.32Å; L194-S196 PolarHBondContact O-N 3.37Å; S196-K199 PolarHBondContact O-N 3.04Å; S196-L200 VanDerWaalsContact O-CB 3.28Å; S196-L200 WeakPolarHBondContact O-CB 3.31Å; S196-L200 PolarHBondContact O-N 3.32Å
197	F	74.7	Confident	75.2	Confident	133 Å²	133	57.5 Å²	57.5	58%	0.583	29%	0.288	S	S	*	.	H	α-helix	trans	-65.4	-40.2	175.8	-81.3	-65	0	0	0	112.3	L193 L194 L200 K201	L193-F197 HydrophobicContact CB-CD2 4.41Å; L193-F197 HydrophobicContact CB-CE2 4.4Å; L193-F197 WeakPolarHBondContact O-CD2 3.15Å; L193-F197 PolarHBondContact O-N 3.12Å; L194-F197 PolarHBondContact O-N 3.1Å; F197-L200 PolarHBondContact O-N 3.47Å; F197-K201 VanDerWaalsContact O-CB 3.24Å; F197-K201 WeakPolarHBondContact O-CB 3.44Å; F197-K201 PolarHBondContact O-N 3.22Å
198	E	73.5	Confident	74.7	Confident	130 Å²	130	56.2 Å²	56.2	61%	0.607	29%	0.286	S	S	*	.	H	α-helix	trans	-63.2	-42.3	177.7	-171.6	-179.9	176.8	0	0	111.5	L194 Y195 K201 S202	L194-E198 WeakPolarHBondContact O-CB 3.3Å; L194-E198 PolarHBondContact O-N 3.28Å; Y195-E198 PolarHBondContact O-N 3.03Å; E198-K201 WeakPolarHBondContact O-CB 3.32Å; E198-K201 PolarHBondContact O-N 2.91Å; E198-S202 PolarHBondContact O-N 3.4Å
199	K	71.6	Confident	74.3	Confident	28 Å²	28	60.9 Å²	60.9	12%	0.122	31%	0.31	C	S	.	.	H	α-helix	trans	-68.1	-41	174.4	-76.8	-170.4	172.2	177.8	0	113.7	Y195 S196 K201 S202 F203 I594 L595 I596	Y195-K199 HydrophobicContact CD1-CD 4.4Å; Y195-K199 HydrophobicContact CE1-CD 3.85Å; Y195-K199 PolarHBondContact O-N 3.48Å; Y195-K199 WeakPolarHBondContact OH-CE 3.41Å; Y195-K199 PolarHBondContact OH-NZ 3.02Å; S196-K199 PolarHBondContact O-N 3.04Å; K199-K201 VanDerWaalsContact C-N 3.26Å; K199-K201 PolarHBondContact O-N 2.69Å; K199-S202 WeakPolarHBondContact CA-OG 3.36Å; K199-S202 PolarHBondContact O-N 3.02Å; K199-S202 PolarHBondContact O-OG 2.7Å; K199-F203 WeakPolarHBondContact O-CB 3.49Å; K199-F203 PolarHBondContact O-N 3.04Å; K199-I594 WeakPolarHBondContact CE-O 3.41Å; K199-I594 PolarHBondContact NZ-O 3.35Å; K199-L595 HydrophobicContact CD-CD2 3.91Å; K199-I596 VanDerWaalsContact NZ-N 3.14Å
200	L	71.9	Confident	73.7	Confident	59 Å²	59	60.1 Å²	60.1	31%	0.309	31%	0.306	S	S	.	.	H	α-helix	trans	-64.2	-37	175.4	178.4	144.6	0	0	0	110.4	S196 F197 F203 F204 L518	S196-L200 VanDerWaalsContact O-CB 3.28Å; S196-L200 WeakPolarHBondContact O-CB 3.31Å; S196-L200 PolarHBondContact O-N 3.32Å; F197-L200 PolarHBondContact O-N 3.47Å; L200-F203 WeakPolarHBondContact O-CB 3.16Å; L200-F203 PolarHBondContact O-N 2.94Å; L200-F204 HydrophobicContact CD1-CE2 4.23Å; L200-F204 HydrophobicContact CD2-CD2 3.54Å; L200-F204 HydrophobicContact CD2-CE2 3.47Å; L200-F204 VanDerWaalsContact CD2-CE2 3.47Å; L200-F204 HydrophobicContact CG-CD2 3.85Å; L200-F204 HydrophobicContact CG-CE2 3.63Å; L200-F204 WeakPolarHBondContact O-CD2 3.5Å; L200-F204 PolarHBondContact O-N 3.46Å; L200-L518 HydrophobicContact CD1-CD1 4.22Å
201	K	72.2	Confident	73.1	Confident	45 Å²	45	60.4 Å²	60.4	20%	0.196	31%	0.31	C	S	.	.	H	α-helix	trans	-63.8	-45.6	171.7	178	-174.5	173.8	-176.6	0	112.1	F197 E198 K199 F203 F204 N205 M387 L390	F197-K201 VanDerWaalsContact O-CB 3.24Å; F197-K201 WeakPolarHBondContact O-CB 3.44Å; F197-K201 PolarHBondContact O-N 3.22Å; E198-K201 WeakPolarHBondContact O-CB 3.32Å; E198-K201 PolarHBondContact O-N 2.91Å; K199-K201 VanDerWaalsContact C-N 3.26Å; K199-K201 PolarHBondContact O-N 2.69Å; K201-F203 VanDerWaalsContact C-N 3.32Å; K201-F204 PolarHBondContact O-N 3.27Å; K201-N205 WeakPolarHBondContact O-CB 3.26Å; K201-N205 VanDerWaalsContact O-CG 3.31Å; K201-N205 PolarHBondContact O-N 3.35Å; K201-M387 HydrophobicContact CG-CE 4.04Å; K201-L390 PolarHBondContact NZ-O 2.96Å
202	S	72.7	Confident	72.5	Confident	66 Å²	66	57.7 Å²	57.7	46%	0.462	30%	0.296	S	S	.	.	H	α-helix	trans	-65.7	-37.1	177.8	68	0	0	0	0	111.9	E198 K199 N205 C206	E198-S202 PolarHBondContact O-N 3.4Å; K199-S202 WeakPolarHBondContact CA-OG 3.36Å; K199-S202 PolarHBondContact O-N 3.02Å; K199-S202 PolarHBondContact O-OG 2.7Å; S202-N205 PolarHBondContact O-N 3.21Å; S202-C206 WeakPolarHBondContact O-CB 3.24Å; S202-C206 PolarHBondContact O-N 2.77Å
203	F	72.7	Confident	72.1	Confident	29 Å²	29	61.5 Å²	61.5	13%	0.127	31%	0.313	C	S	.	.	H	α-helix	trans	-57.9	-55.4	170.2	174.7	-102	0	0	0	111.4	K199 L200 K201 N205 C206 V207 I525 C591 P593	K199-F203 WeakPolarHBondContact O-CB 3.49Å; K199-F203 PolarHBondContact O-N 3.04Å; L200-F203 WeakPolarHBondContact O-CB 3.16Å; L200-F203 PolarHBondContact O-N 2.94Å; K201-F203 VanDerWaalsContact C-N 3.32Å; F203-N205 VanDerWaalsContact C-N 3.3Å; F203-N205 PolarHBondContact O-N 3.17Å; F203-C206 WeakPolarHBondContact O-CB 3.31Å; F203-C206 PolarHBondContact O-N 3.31Å; F203-V207 HydrophobicContact CD1-CG2 4.28Å; F203-V207 HydrophobicContact CD2-CG2 4.29Å; F203-V207 HydrophobicContact CE1-CG2 3.84Å; F203-V207 HydrophobicContact CE2-CG2 3.85Å; F203-V207 HydrophobicContact CG-CG2 4.48Å; F203-V207 HydrophobicContact CZ-CG2 3.61Å; F203-V207 WeakPolarHBondContact O-CG2 3.05Å; F203-V207 PolarHBondContact O-N 3.01Å; F203-I525 HydrophobicContact CZ-CG2 4.01Å; F203-C591 HydrophobicContact CD2-CB 4.28Å; F203-C591 VanDerWaalsContact CD2-O 3.23Å; F203-C591 WeakPolarHBondContact CD2-O 3.33Å; F203-C591 HydrophobicContact CE2-CB 4.26Å; F203-P593 HydrophobicContact CD2-CG 4.39Å
204	F	72.1	Confident	71.4	Confident	96 Å²	96	60.3 Å²	60.3	42%	0.421	31%	0.307	S	S	.	.	H	α-helix	trans	-62.8	-34.6	178.8	-80.5	-61.7	0	0	0	113	L200 K201 T208 M387	L200-F204 HydrophobicContact CD1-CE2 4.23Å; L200-F204 HydrophobicContact CD2-CD2 3.54Å; L200-F204 HydrophobicContact CD2-CE2 3.47Å; L200-F204 VanDerWaalsContact CD2-CE2 3.47Å; L200-F204 HydrophobicContact CG-CD2 3.85Å; L200-F204 HydrophobicContact CG-CE2 3.63Å; L200-F204 WeakPolarHBondContact O-CD2 3.5Å; L200-F204 PolarHBondContact O-N 3.46Å; K201-F204 PolarHBondContact O-N 3.27Å; F204-T208 WeakPolarHBondContact O-CB 3.36Å; F204-T208 VanDerWaalsContact O-CG2 3.24Å; F204-T208 WeakPolarHBondContact O-CG2 3.38Å; F204-T208 PolarHBondContact O-N 3.45Å; F204-T208 PolarHBondContact O-OG1 3.41Å; F204-M387 HydrophobicContact CB-CE 3.87Å
205	N	71.8	Confident	70.5	Confident	51 Å²	51	61.6 Å²	61.6	27%	0.273	31%	0.313	S	S	.	.	H	α-helix	trans	-62.5	-43.4	171.8	-80	-15.9	0	0	0	111.7	K201 S202 F203 T208 L209 M387	K201-N205 WeakPolarHBondContact O-CB 3.26Å; K201-N205 VanDerWaalsContact O-CG 3.31Å; K201-N205 PolarHBondContact O-N 3.35Å; S202-N205 PolarHBondContact O-N 3.21Å; F203-N205 VanDerWaalsContact C-N 3.3Å; F203-N205 PolarHBondContact O-N 3.17Å; N205-T208 WeakPolarHBondContact CA-OG1 3.35Å; N205-T208 PolarHBondContact O-OG1 3.14Å; N205-L209 VanDerWaalsContact O-CB 3.31Å; N205-L209 WeakPolarHBondContact O-CB 3.44Å; N205-L209 WeakPolarHBondContact O-CG 3.15Å; N205-L209 PolarHBondContact O-N 3.04Å; N205-M387 WeakPolarHBondContact OD1-CE 3.05Å; N205-M387 WeakPolarHBondContact OD1-CG 3.37Å
206	C	73.6	Confident	69.8	Low	44 Å²	44	63 Å²	63	30%	0.297	32%	0.321	S	S	.	.	H	α-helix	trans	-65.3	-47.6	177.8	-175.4	0	0	0	0	111	S202 F203 T208 L209 E210 C591	S202-C206 WeakPolarHBondContact O-CB 3.24Å; S202-C206 PolarHBondContact O-N 2.77Å; F203-C206 WeakPolarHBondContact O-CB 3.31Å; F203-C206 PolarHBondContact O-N 3.31Å; C206-T208 PolarHBondContact O-N 2.77Å; C206-L209 PolarHBondContact O-N 3.13Å; C206-E210 WeakPolarHBondContact O-CB 3.11Å; C206-E210 PolarHBondContact O-N 2.7Å; C206-C591 HydrophobicContact CB-CB 3.66Å; C206-C591 WeakPolarHBondContact CB-SG 3.27Å; C206-C591 WeakPolarHBondContact SG-CA 3.21Å; C206-C591 WeakPolarHBondContact SG-CB 3.47Å; C206-C591 CovalentContact SG-SG 2.04Å; C206-C591 PolarHBondContact SG-SG 3.38Å
207	V	71.5	Confident	69	Low	30 Å²	30	68.9 Å²	68.9	18%	0.182	34%	0.344	C	S	.	.	H	α-helix	trans	-59	-47.5	177.1	175	0	0	0	0	110.9	F203 L209 E210 T211 V588 C591	F203-V207 HydrophobicContact CD1-CG2 4.28Å; F203-V207 HydrophobicContact CD2-CG2 4.29Å; F203-V207 HydrophobicContact CE1-CG2 3.84Å; F203-V207 HydrophobicContact CE2-CG2 3.85Å; F203-V207 HydrophobicContact CG-CG2 4.48Å; F203-V207 HydrophobicContact CZ-CG2 3.61Å; F203-V207 WeakPolarHBondContact O-CG2 3.05Å; F203-V207 PolarHBondContact O-N 3.01Å; V207-L209 PolarHBondContact O-N 3.32Å; V207-E210 PolarHBondContact O-N 3.09Å; V207-T211 HydrophobicContact CG1-CG2 4.28Å; V207-T211 VanDerWaalsContact O-CG2 3.31Å; V207-T211 WeakPolarHBondContact O-CG2 3.42Å; V207-T211 PolarHBondContact O-N 3.47Å; V207-T211 PolarHBondContact O-OG1 3.47Å; V207-V588 HydrophobicContact CB-CG1 4.48Å; V207-V588 HydrophobicContact CG1-CG1 4.35Å; V207-V588 HydrophobicContact CG2-CG1 3.83Å; V207-C591 HydrophobicContact CG2-CB 4.3Å
208	T	69.9	Low	68	Low	43 Å²	43	64.2 Å²	64.2	26%	0.264	32%	0.324	S	S	.	.	H	α-helix	trans	-66.1	-36.9	179.6	51	0	0	0	0	112.4	F204 N205 C206 T211 N212	F204-T208 WeakPolarHBondContact O-CB 3.36Å; F204-T208 VanDerWaalsContact O-CG2 3.24Å; F204-T208 WeakPolarHBondContact O-CG2 3.38Å; F204-T208 PolarHBondContact O-N 3.45Å; F204-T208 PolarHBondContact O-OG1 3.41Å; N205-T208 WeakPolarHBondContact CA-OG1 3.35Å; N205-T208 PolarHBondContact O-OG1 3.14Å; C206-T208 PolarHBondContact O-N 2.77Å; T208-T211 VanDerWaalsContact CA-OG1 3.32Å; T208-T211 WeakPolarHBondContact CA-OG1 3.37Å; T208-T211 PolarHBondContact O-OG1 3.29Å; T208-N212 WeakPolarHBondContact O-CB 3.21Å; T208-N212 PolarHBondContact O-N 3.08Å; T208-N212 PolarHBondContact O-ND2 3.39Å; T208-N212 VanDerWaalsContact O-ND2 3.12Å
209	L	72.7	Confident	67.2	Low	101 Å²	101	60.5 Å²	60.5	53%	0.529	31%	0.309	S	S	.	.	H	α-helix	trans	-64.9	-43	173.4	-77.3	171.2	0	0	0	111.5	N205 C206 V207 N212 Q213	N205-L209 VanDerWaalsContact O-CB 3.31Å; N205-L209 WeakPolarHBondContact O-CB 3.44Å; N205-L209 WeakPolarHBondContact O-CG 3.15Å; N205-L209 PolarHBondContact O-N 3.04Å; C206-L209 PolarHBondContact O-N 3.13Å; V207-L209 PolarHBondContact O-N 3.32Å; L209-N212 PolarHBondContact O-N 3.3Å; L209-Q213 WeakPolarHBondContact O-CB 3.04Å; L209-Q213 VanDerWaalsContact O-CG 3.25Å; L209-Q213 WeakPolarHBondContact O-CG 3.12Å; L209-Q213 PolarHBondContact O-N 2.84Å
210	E	69.7	Low	66.4	Low	26 Å²	26	65.8 Å²	65.8	12%	0.121	33%	0.334	C	S	.	.	H	α-helix	trans	-68	-44.7	178.5	-162.5	-168.3	147.7	0	0	111.4	C206 V207 N212 Q213 N214 D587 V588	C206-E210 WeakPolarHBondContact O-CB 3.11Å; C206-E210 PolarHBondContact O-N 2.7Å; V207-E210 PolarHBondContact O-N 3.09Å; E210-N212 VanDerWaalsContact C-N 3.28Å; E210-N212 PolarHBondContact O-N 3.41Å; E210-Q213 PolarHBondContact O-N 3.39Å; E210-N214 VanDerWaalsContact O-CB 3.24Å; E210-N214 WeakPolarHBondContact O-CB 3.32Å; E210-N214 PolarHBondContact O-N 2.68Å; E210-N214 PolarHBondContact O-ND2 3Å; E210-D587 PolarHBondContact OE1-N 3.16Å; E210-V588 PolarHBondContact OE1-N 3.01Å; E210-V588 VanDerWaalsContact OE2-CA 3.26Å; E210-V588 WeakPolarHBondContact OE2-CA 3.27Å
211	T	65.9	Low	65.7	Low	61 Å²	61	65.1 Å²	65.1	37%	0.374	33%	0.334	S	S	.	.	H	α-helix	trans	-60.8	-40.1	174	57.5	0	0	0	0	111	V207 T208 L215	V207-T211 HydrophobicContact CG1-CG2 4.28Å; V207-T211 VanDerWaalsContact O-CG2 3.31Å; V207-T211 WeakPolarHBondContact O-CG2 3.42Å; V207-T211 PolarHBondContact O-N 3.47Å; V207-T211 PolarHBondContact O-OG1 3.47Å; T208-T211 VanDerWaalsContact CA-OG1 3.32Å; T208-T211 WeakPolarHBondContact CA-OG1 3.37Å; T208-T211 PolarHBondContact O-OG1 3.29Å; T211-L215 WeakPolarHBondContact O-CA 3.32Å; T211-L215 WeakPolarHBondContact O-CB 3.42Å; T211-L215 WeakPolarHBondContact O-CD1 3.4Å; T211-L215 WeakPolarHBondContact O-CG 3.46Å; T211-L215 PolarHBondContact O-N 3.27Å
212	N	66.9	Low	64.9	Low	19 Å²	19	64.7 Å²	64.7	10%	0.102	33%	0.334	C	S	.	.	H	α-helix	trans	-70	-39.4	177.3	-75.6	-23.7	0	0	0	112.4	T208 L209 E210 K216	T208-N212 WeakPolarHBondContact O-CB 3.21Å; T208-N212 PolarHBondContact O-N 3.08Å; T208-N212 PolarHBondContact O-ND2 3.39Å; T208-N212 VanDerWaalsContact O-ND2 3.12Å; L209-N212 PolarHBondContact O-N 3.3Å; E210-N212 VanDerWaalsContact C-N 3.28Å; E210-N212 PolarHBondContact O-N 3.41Å; N212-K216 WeakPolarHBondContact O-CB 3.38Å; N212-K216 VanDerWaalsContact O-CG 3.27Å; N212-K216 WeakPolarHBondContact O-CG 3.19Å; N212-K216 PolarHBondContact O-N 2.89Å
213	Q	68.1	Low	64.3	Low	115 Å²	115	63.5 Å²	63.5	54%	0.537	32%	0.322	S	S	.	.	H	α-helix	trans	-66.4	-43	175.7	-77.3	-179.9	5	0	0	111.1	L209 E210 K216 K217	L209-Q213 WeakPolarHBondContact O-CB 3.04Å; L209-Q213 VanDerWaalsContact O-CG 3.25Å; L209-Q213 WeakPolarHBondContact O-CG 3.12Å; L209-Q213 PolarHBondContact O-N 2.84Å; E210-Q213 PolarHBondContact O-N 3.39Å; Q213-K216 PolarHBondContact O-N 3.35Å; Q213-K217 WeakPolarHBondContact O-CG 3.49Å; Q213-K217 PolarHBondContact O-N 3.47Å
214	N	61.7	Low	63.8	Low	35 Å²	35	66.7 Å²	66.7	19%	0.187	34%	0.34	C	S	.	.	H	α-helix	trans	-66.8	-43.6	176.1	-69.2	-16.2	0	0	0	110.5	E210 K216 K217 L218 S586	E210-N214 VanDerWaalsContact O-CB 3.24Å; E210-N214 WeakPolarHBondContact O-CB 3.32Å; E210-N214 PolarHBondContact O-N 2.68Å; E210-N214 PolarHBondContact O-ND2 3Å; N214-K216 VanDerWaalsContact C-N 3.32Å; N214-K216 PolarHBondContact O-N 3.48Å; N214-K217 PolarHBondContact O-N 2.89Å; N214-L218 VanDerWaalsContact O-CB 3.26Å; N214-L218 WeakPolarHBondContact O-CB 3.11Å; N214-L218 WeakPolarHBondContact O-CD1 3.34Å; N214-L218 VanDerWaalsContact O-CG 3.22Å; N214-L218 WeakPolarHBondContact O-CG 3.47Å; N214-L218 PolarHBondContact O-N 2.89Å; N214-S586 WeakPolarHBondContact ND2-CB 3.32Å
215	L	57.6	Low	63.2	Low	73 Å²	73	63.1 Å²	63.1	38%	0.382	33%	0.325	S	S	.	.	H	α-helix	trans	-61.9	-36.7	174.1	-77.9	164.8	0	0	0	111.9	T211 L218 D219 F376	T211-L215 WeakPolarHBondContact O-CA 3.32Å; T211-L215 WeakPolarHBondContact O-CB 3.42Å; T211-L215 WeakPolarHBondContact O-CD1 3.4Å; T211-L215 WeakPolarHBondContact O-CG 3.46Å; T211-L215 PolarHBondContact O-N 3.27Å; L215-L218 HydrophobicContact CD2-CD1 4.42Å; L215-L218 CarbonylContact O-C 3.57Å; L215-L218 WeakPolarHBondContact O-CB 3.2Å; L215-L218 PolarHBondContact O-N 3.46Å; L215-D219 WeakPolarHBondContact O-CA 3.34Å; L215-D219 VanDerWaalsContact O-CB 3.26Å; L215-D219 WeakPolarHBondContact O-CB 3.38Å; L215-D219 PolarHBondContact O-N 2.76Å; L215-F376 HydrophobicContact CB-CE1 4.5Å; L215-F376 HydrophobicContact CB-CZ 3.93Å; L215-F376 HydrophobicContact CD1-CE2 4.5Å; L215-F376 HydrophobicContact CD1-CZ 3.95Å; L215-F376 HydrophobicContact CG-CZ 4.37Å
216	K	60.1	Low	62.9	Low	116 Å²	116	64.6 Å²	64.6	50%	0.504	33%	0.33	S	S	.	.	H	α-helix	trans	-69.4	-38.8	173.7	-76.9	177	-179.3	-174.5	0	113.4	N212 Q213 N214 L218 D219 H220	N212-K216 WeakPolarHBondContact O-CB 3.38Å; N212-K216 VanDerWaalsContact O-CG 3.27Å; N212-K216 WeakPolarHBondContact O-CG 3.19Å; N212-K216 PolarHBondContact O-N 2.89Å; Q213-K216 PolarHBondContact O-N 3.35Å; N214-K216 VanDerWaalsContact C-N 3.32Å; N214-K216 PolarHBondContact O-N 3.48Å; K216-L218 VanDerWaalsContact C-N 3.32Å; K216-D219 PolarHBondContact O-N 2.98Å; K216-H220 PolarHBondContact O-CD2 3.43Å; K216-H220 PolarHBondContact O-N 2.86Å
217	K	58.3	Low	62.6	Low	146 Å²	146	65 Å²	65	64%	0.635	33%	0.329	S	S	*	.	H	α-helix	trans	-65.2	-39.6	172.6	-73.7	176.2	-177.7	174.1	0	111	Q213 N214 S221	Q213-K217 WeakPolarHBondContact O-CG 3.49Å; Q213-K217 PolarHBondContact O-N 3.47Å; N214-K217 PolarHBondContact O-N 2.89Å; K217-S221 PolarHBondContact O-N 3.35Å; K217-S221 PolarHBondContact O-OG 3.08Å
218	L	53.2	Low	62.5	Low	35 Å²	35	68.2 Å²	68.2	18%	0.183	35%	0.345	C	S	.	.	H	α-helix	trans	-65.9	-40.1	171.6	-75.3	162.5	0	0	0	110.7	N214 L215 K216 H220 S221 L222	N214-L218 VanDerWaalsContact O-CB 3.26Å; N214-L218 WeakPolarHBondContact O-CB 3.11Å; N214-L218 WeakPolarHBondContact O-CD1 3.34Å; N214-L218 VanDerWaalsContact O-CG 3.22Å; N214-L218 WeakPolarHBondContact O-CG 3.47Å; N214-L218 PolarHBondContact O-N 2.89Å; L215-L218 HydrophobicContact CD2-CD1 4.42Å; L215-L218 CarbonylContact O-C 3.57Å; L215-L218 WeakPolarHBondContact O-CB 3.2Å; L215-L218 PolarHBondContact O-N 3.46Å; K216-L218 VanDerWaalsContact C-N 3.32Å; L218-H220 PolarHBondContact O-N 2.95Å; L218-S221 WeakPolarHBondContact CA-OG 3.23Å; L218-S221 PolarHBondContact O-N 3.49Å; L218-S221 PolarHBondContact O-OG 3.04Å; L218-L222 HydrophobicContact CB-CD1 4.03Å; L218-L222 HydrophobicContact CB-CG 4.43Å; L218-L222 HydrophobicContact CD2-CD1 4.01Å; L218-L222 HydrophobicContact CD2-CG 4.25Å; L218-L222 WeakPolarHBondContact O-CA 3.3Å; L218-L222 WeakPolarHBondContact O-CB 3.38Å; L218-L222 WeakPolarHBondContact O-CG 3.08Å; L218-L222 PolarHBondContact O-N 2.95Å
219	D	56.8	Low	62.5	Low	52 Å²	52	66.7 Å²	66.7	28%	0.278	34%	0.336	S	S	.	.	H	α-helix	trans	-62.3	-47.4	-178.3	-150.7	28.9	0	0	0	109.4	L215 K216 S221 L223	L215-D219 WeakPolarHBondContact O-CA 3.34Å; L215-D219 VanDerWaalsContact O-CB 3.26Å; L215-D219 WeakPolarHBondContact O-CB 3.38Å; L215-D219 PolarHBondContact O-N 2.76Å; K216-D219 PolarHBondContact O-N 2.98Å; D219-S221 PolarHBondContact O-N 2.93Å; D219-L223 HydrophobicContact CB-CD1 4.28Å; D219-L223 VanDerWaalsContact O-CA 3.29Å; D219-L223 WeakPolarHBondContact O-CA 3.38Å; D219-L223 WeakPolarHBondContact O-CB 3.44Å; D219-L223 WeakPolarHBondContact O-CD1 3.49Å; D219-L223 WeakPolarHBondContact O-CG 3.5Å; D219-L223 PolarHBondContact O-N 2.98Å; D219-L223 VanDerWaalsContact OD1-CD1 3.23Å; D219-L223 WeakPolarHBondContact OD1-CD1 3.46Å; D219-L223 WeakPolarHBondContact OD1-CG 3.31Å
220	H	55.4	Low	62.5	Low	139 Å²	139	64.7 Å²	64.7	64%	0.644	33%	0.326	S	S	*	.	H	α-helix	trans	-66.5	-39.1	176.9	-73.7	-63	0	0	0	114.2	K216 L218 N224	K216-H220 PolarHBondContact O-CD2 3.43Å; K216-H220 PolarHBondContact O-N 2.86Å; L218-H220 PolarHBondContact O-N 2.95Å; H220-N224 VanDerWaalsContact O-CB 3.26Å; H220-N224 WeakPolarHBondContact O-CB 3.39Å; H220-N224 VanDerWaalsContact O-CG 3.3Å; H220-N224 PolarHBondContact O-N 2.89Å; H220-N224 VanDerWaalsContact O-N 3.12Å; H220-N224 PolarHBondContact O-OD1 2.87Å
221	S	56.8	Low	62.7	Low	46 Å²	46	67.1 Å²	67.1	32%	0.322	34%	0.339	S	S	.	.	H	α-helix	trans	-75.7	-53.1	-179	51.3	0	0	0	0	111.6	K217 L218 D219 N224 I225	K217-S221 PolarHBondContact O-N 3.35Å; K217-S221 PolarHBondContact O-OG 3.08Å; L218-S221 WeakPolarHBondContact CA-OG 3.23Å; L218-S221 PolarHBondContact O-N 3.49Å; L218-S221 PolarHBondContact O-OG 3.04Å; D219-S221 PolarHBondContact O-N 2.93Å; S221-N224 PolarHBondContact O-N 3.33Å; S221-I225 WeakPolarHBondContact O-CB 3.36Å; S221-I225 VanDerWaalsContact O-CD1 3.25Å; S221-I225 WeakPolarHBondContact O-CD1 3.15Å; S221-I225 WeakPolarHBondContact O-CG1 3.45Å; S221-I225 PolarHBondContact O-N 2.88Å
222	L	55	Low	63.2	Low	35 Å²	35	68 Å²	68	18%	0.183	34%	0.341	C	S	.	.	H	α-helix	trans	-61.2	-47	173.7	-65.3	177	0	0	0	111.3	L218 N224 I225 F226	L218-L222 HydrophobicContact CB-CD1 4.03Å; L218-L222 HydrophobicContact CB-CG 4.43Å; L218-L222 HydrophobicContact CD2-CD1 4.01Å; L218-L222 HydrophobicContact CD2-CG 4.25Å; L218-L222 WeakPolarHBondContact O-CA 3.3Å; L218-L222 WeakPolarHBondContact O-CB 3.38Å; L218-L222 WeakPolarHBondContact O-CG 3.08Å; L218-L222 PolarHBondContact O-N 2.95Å; L222-N224 VanDerWaalsContact C-N 3.29Å; L222-N224 PolarHBondContact O-N 2.64Å; L222-I225 CarbonylContact O-C 3.59Å; L222-I225 PolarHBondContact O-N 3.17Å; L222-I225 VanDerWaalsContact O-N 3.12Å; L222-F226 HydrophobicContact CB-CD2 3.95Å; L222-F226 HydrophobicContact CB-CE2 4.1Å; L222-F226 HydrophobicContact CD2-CE2 4.39Å; L222-F226 VanDerWaalsContact O-CB 3.25Å; L222-F226 WeakPolarHBondContact O-CB 3.05Å; L222-F226 WeakPolarHBondContact O-CD2 3.4Å; L222-F226 PolarHBondContact O-N 3.33Å
223	L	60	Low	63.6	Low	41 Å²	41	68.3 Å²	68.3	22%	0.215	34%	0.343	C	S	.	.	H	α-helix	trans	-60.4	-39.7	176.5	-69.9	170.1	0	0	0	110.9	D219 N227 V371	D219-L223 HydrophobicContact CB-CD1 4.28Å; D219-L223 VanDerWaalsContact O-CA 3.29Å; D219-L223 WeakPolarHBondContact O-CA 3.38Å; D219-L223 WeakPolarHBondContact O-CB 3.44Å; D219-L223 WeakPolarHBondContact O-CD1 3.49Å; D219-L223 WeakPolarHBondContact O-CG 3.5Å; D219-L223 PolarHBondContact O-N 2.98Å; D219-L223 VanDerWaalsContact OD1-CD1 3.23Å; D219-L223 WeakPolarHBondContact OD1-CD1 3.46Å; D219-L223 WeakPolarHBondContact OD1-CG 3.31Å; L223-N227 WeakPolarHBondContact O-CA 3.16Å; L223-N227 WeakPolarHBondContact O-CB 3.15Å; L223-N227 PolarHBondContact O-N 3.24Å; L223-N227 PolarHBondContact O-ND2 3.4Å; L223-N227 VanDerWaalsContact O-ND2 3.16Å; L223-N227 PolarHBondContact O-OD1 2.95Å; L223-V371 HydrophobicContact CD2-CG1 3.97Å
224	N	63.5	Low	64.2	Low	96 Å²	96	64.1 Å²	64.1	51%	0.513	32%	0.324	S	S	.	.	H	α-helix	trans	-67.3	-37.9	175.2	-82.7	17.3	0	0	0	112.4	H220 S221 L222 N228	H220-N224 VanDerWaalsContact O-CB 3.26Å; H220-N224 WeakPolarHBondContact O-CB 3.39Å; H220-N224 VanDerWaalsContact O-CG 3.3Å; H220-N224 PolarHBondContact O-N 2.89Å; H220-N224 VanDerWaalsContact O-N 3.12Å; H220-N224 PolarHBondContact O-OD1 2.87Å; S221-N224 PolarHBondContact O-N 3.33Å; L222-N224 VanDerWaalsContact C-N 3.29Å; L222-N224 PolarHBondContact O-N 2.64Å; N224-N228 VanDerWaalsContact O-CB 3.27Å; N224-N228 WeakPolarHBondContact O-CB 3.47Å; N224-N228 PolarHBondContact O-N 3.42Å; N224-N228 PolarHBondContact O-OD1 3.48Å
225	I	59.3	Low	65.2	Low	21 Å²	21	67.1 Å²	67.1	11%	0.108	34%	0.34	C	S	.	.	H	α-helix	trans	-66.1	-47.9	176.3	-69.5	158.9	0	0	0	110.7	S221 L222 N228 S229 Q578	S221-I225 WeakPolarHBondContact O-CB 3.36Å; S221-I225 VanDerWaalsContact O-CD1 3.25Å; S221-I225 WeakPolarHBondContact O-CD1 3.15Å; S221-I225 WeakPolarHBondContact O-CG1 3.45Å; S221-I225 PolarHBondContact O-N 2.88Å; L222-I225 CarbonylContact O-C 3.59Å; L222-I225 PolarHBondContact O-N 3.17Å; L222-I225 VanDerWaalsContact O-N 3.12Å; I225-N228 PolarHBondContact O-N 2.98Å; I225-S229 VanDerWaalsContact O-CB 3.24Å; I225-S229 WeakPolarHBondContact O-CB 3.34Å; I225-S229 PolarHBondContact O-N 3.37Å; I225-S229 PolarHBondContact O-OG 2.88Å; I225-Q578 HydrophobicContact CD1-CG 3.69Å; I225-Q578 VanDerWaalsContact CD1-NE2 3.34Å; I225-Q578 HydrophobicContact CG1-CG 4.41Å; I225-Q578 HydrophobicContact CG2-CB 4.43Å; I225-Q578 HydrophobicContact CG2-CG 4.43Å
226	F	64.2	Low	66.2	Low	82 Å²	82	66.5 Å²	66.5	36%	0.36	34%	0.335	S	S	.	.	H	α-helix	trans	-62.9	-45.8	175.2	-84	-71	0	0	0	110.1	L222 S229 I230 I575	L222-F226 HydrophobicContact CB-CD2 3.95Å; L222-F226 HydrophobicContact CB-CE2 4.1Å; L222-F226 HydrophobicContact CD2-CE2 4.39Å; L222-F226 VanDerWaalsContact O-CB 3.25Å; L222-F226 WeakPolarHBondContact O-CB 3.05Å; L222-F226 WeakPolarHBondContact O-CD2 3.4Å; L222-F226 PolarHBondContact O-N 3.33Å; F226-S229 PolarHBondContact O-N 3.33Å; F226-I230 WeakPolarHBondContact O-CA 3.45Å; F226-I230 WeakPolarHBondContact O-CB 3.46Å; F226-I230 WeakPolarHBondContact O-CG1 3.08Å; F226-I230 PolarHBondContact O-N 3.01Å; F226-I575 HydrophobicContact CD1-CD1 4.24Å; F226-I575 HydrophobicContact CD1-CG1 4.44Å; F226-I575 HydrophobicContact CD1-CG2 4.05Å; F226-I575 HydrophobicContact CE1-CD1 4.37Å; F226-I575 HydrophobicContact CE1-CG1 4.49Å; F226-I575 HydrophobicContact CE1-CG2 3.32Å; F226-I575 HydrophobicContact CZ-CG2 3.66Å
227	N	68	Low	67.1	Low	52 Å²	52	64.8 Å²	64.8	28%	0.278	33%	0.328	S	S	.	.	H	α-helix	trans	-61	-51	177.1	-72.4	-14.8	0	0	0	110.1	L223 S229 I230 D231 V371	L223-N227 WeakPolarHBondContact O-CA 3.16Å; L223-N227 WeakPolarHBondContact O-CB 3.15Å; L223-N227 PolarHBondContact O-N 3.24Å; L223-N227 PolarHBondContact O-ND2 3.4Å; L223-N227 VanDerWaalsContact O-ND2 3.16Å; L223-N227 PolarHBondContact O-OD1 2.95Å; N227-S229 VanDerWaalsContact C-N 3.3Å; N227-S229 PolarHBondContact O-N 3Å; N227-I230 PolarHBondContact O-N 3.26Å; N227-D231 WeakPolarHBondContact O-CA 3.46Å; N227-D231 WeakPolarHBondContact O-CB 3.3Å; N227-D231 PolarHBondContact O-N 3.03Å; N227-V371 WeakPolarHBondContact OD1-CG2 3.03Å
228	N	69.7	Low	68.4	Low	98 Å²	98	58.7 Å²	58.7	52%	0.524	30%	0.302	S	S	.	.	H	α-helix	trans	-60.5	-40	177.7	-74.9	-3	0	0	0	112.1	N224 I225 N232	N224-N228 VanDerWaalsContact O-CB 3.27Å; N224-N228 WeakPolarHBondContact O-CB 3.47Å; N224-N228 PolarHBondContact O-N 3.42Å; N224-N228 PolarHBondContact O-OD1 3.48Å; I225-N228 PolarHBondContact O-N 2.98Å; N228-N232 WeakPolarHBondContact O-CB 3.13Å; N228-N232 PolarHBondContact O-N 3.06Å; N228-N232 PolarHBondContact O-ND2 3.4Å; N228-N232 PolarHBondContact O-OD1 2.78Å
229	S	70	Confident	69.8	Low	12 Å²	12	59.9 Å²	59.9	8%	0.084	31%	0.314	C	S	.	.	H	α-helix	trans	-74.2	-39.9	-179	-56.8	0	0	0	0	112.1	I225 F226 N227 N232 I233	I225-S229 VanDerWaalsContact O-CB 3.24Å; I225-S229 WeakPolarHBondContact O-CB 3.34Å; I225-S229 PolarHBondContact O-N 3.37Å; I225-S229 PolarHBondContact O-OG 2.88Å; F226-S229 PolarHBondContact O-N 3.33Å; N227-S229 VanDerWaalsContact C-N 3.3Å; N227-S229 PolarHBondContact O-N 3Å; S229-N232 PolarHBondContact O-N 3.15Å; S229-I233 VanDerWaalsContact O-CG1 3.27Å; S229-I233 WeakPolarHBondContact O-CG1 3.11Å; S229-I233 PolarHBondContact O-N 3.02Å
230	I	71.4	Confident	71	Confident	59 Å²	59	61.4 Å²	61.4	30%	0.303	32%	0.32	S	S	.	.	H	α-helix	trans	-66.8	-40.7	173.1	-69.9	-68	0	0	0	109.6	F226 N227 N232 I233 L234 Y369	F226-I230 WeakPolarHBondContact O-CA 3.45Å; F226-I230 WeakPolarHBondContact O-CB 3.46Å; F226-I230 WeakPolarHBondContact O-CG1 3.08Å; F226-I230 PolarHBondContact O-N 3.01Å; N227-I230 PolarHBondContact O-N 3.26Å; I230-N232 VanDerWaalsContact C-N 3.32Å; I230-N232 PolarHBondContact O-N 3.43Å; I230-I233 CarbonylContact O-C 3.41Å; I230-I233 PolarHBondContact O-N 3.06Å; I230-L234 HydrophobicContact CG2-CD1 3.73Å; I230-L234 HydrophobicContact CG2-CG 4.12Å; I230-L234 VanDerWaalsContact O-CB 3.25Å; I230-L234 WeakPolarHBondContact O-CB 3.48Å; I230-L234 WeakPolarHBondContact O-CG 3.42Å; I230-L234 PolarHBondContact O-N 3.44Å; I230-Y369 HydrophobicContact CG2-CD1 4.39Å
231	D	75.3	Confident	72.3	Confident	76 Å²	76	55.8 Å²	55.8	41%	0.406	30%	0.295	S	S	.	.	H	α-helix	trans	-62.2	-41.7	173.4	-74.6	-21.7	0	0	0	110.2	N227 L234 N235	N227-D231 WeakPolarHBondContact O-CA 3.46Å; N227-D231 WeakPolarHBondContact O-CB 3.3Å; N227-D231 PolarHBondContact O-N 3.03Å; D231-L234 PolarHBondContact O-N 3.07Å; D231-N235 WeakPolarHBondContact O-CB 3.13Å; D231-N235 PolarHBondContact O-N 3.48Å; D231-N235 PolarHBondContact O-ND2 3.4Å; D231-N235 VanDerWaalsContact O-ND2 3.13Å
232	N	75.4	Confident	73.7	Confident	79 Å²	79	60.2 Å²	60.2	42%	0.422	31%	0.306	S	S	.	.	H	α-helix	trans	-63.5	-43.6	173.9	-71.9	-14.6	0	0	0	111.7	N228 S229 I230 N235 E236 N571	N228-N232 WeakPolarHBondContact O-CB 3.13Å; N228-N232 PolarHBondContact O-N 3.06Å; N228-N232 PolarHBondContact O-ND2 3.4Å; N228-N232 PolarHBondContact O-OD1 2.78Å; S229-N232 PolarHBondContact O-N 3.15Å; I230-N232 VanDerWaalsContact C-N 3.32Å; I230-N232 PolarHBondContact O-N 3.43Å; N232-N235 PolarHBondContact O-N 3.18Å; N232-E236 WeakPolarHBondContact O-CG 3.5Å; N232-E236 PolarHBondContact O-N 3.47Å; N232-N571 WeakPolarHBondContact CB-ND2 3.11Å
233	I	75.9	Confident	75.1	Confident	27 Å²	27	62.6 Å²	62.6	14%	0.138	32%	0.319	C	S	.	.	H	α-helix	trans	-63.6	-43	174.7	-68.8	165.8	0	0	0	110.8	S229 I230 N235 E236 F237 N571 I572	S229-I233 VanDerWaalsContact O-CG1 3.27Å; S229-I233 WeakPolarHBondContact O-CG1 3.11Å; S229-I233 PolarHBondContact O-N 3.02Å; I230-I233 CarbonylContact O-C 3.41Å; I230-I233 PolarHBondContact O-N 3.06Å; I233-N235 VanDerWaalsContact C-N 3.34Å; I233-E236 PolarHBondContact O-N 3.44Å; I233-F237 HydrophobicContact CG2-CD2 3.96Å; I233-F237 HydrophobicContact CG2-CE2 4.23Å; I233-F237 WeakPolarHBondContact O-CD2 3.34Å; I233-F237 PolarHBondContact O-N 3.02Å; I233-N571 HydrophobicContact CD1-CB 4.01Å; I233-N571 HydrophobicContact CG1-CB 3.78Å; I233-I572 HydrophobicContact CD1-CG1 4.48Å
234	L	80.3	Confident	76.2	Confident	27 Å²	27	63.1 Å²	63.1	14%	0.141	32%	0.321	C	S	.	.	H	α-helix	trans	-65.5	-38.3	177.6	-76.7	172.3	0	0	0	111.1	I230 D231 F237 N238 I367	I230-L234 HydrophobicContact CG2-CD1 3.73Å; I230-L234 HydrophobicContact CG2-CG 4.12Å; I230-L234 VanDerWaalsContact O-CB 3.25Å; I230-L234 WeakPolarHBondContact O-CB 3.48Å; I230-L234 WeakPolarHBondContact O-CG 3.42Å; I230-L234 PolarHBondContact O-N 3.44Å; D231-L234 PolarHBondContact O-N 3.07Å; L234-F237 PolarHBondContact O-N 3.3Å; L234-N238 WeakPolarHBondContact O-CB 3.13Å; L234-N238 PolarHBondContact O-N 2.96Å; L234-N238 PolarHBondContact O-ND2 2.98Å; L234-N238 VanDerWaalsContact O-ND2 3.07Å; L234-I367 HydrophobicContact CD2-CB 4.33Å; L234-I367 HydrophobicContact CD2-CG2 3.9Å
235	N	82.3	Confident	77.3	Confident	98 Å²	98	60.5 Å²	60.5	52%	0.524	30%	0.304	S	S	.	.	H	α-helix	trans	-65.3	-42	175.9	-74	-24.7	0	0	0	111.1	D231 N232 I233 N238 S239	D231-N235 WeakPolarHBondContact O-CB 3.13Å; D231-N235 PolarHBondContact O-N 3.48Å; D231-N235 PolarHBondContact O-ND2 3.4Å; D231-N235 VanDerWaalsContact O-ND2 3.13Å; N232-N235 PolarHBondContact O-N 3.18Å; I233-N235 VanDerWaalsContact C-N 3.34Å; N235-N238 PolarHBondContact O-N 3.35Å; N235-S239 WeakPolarHBondContact O-CB 3.3Å; N235-S239 PolarHBondContact O-N 3.32Å
236	E	79.2	Confident	78.6	Confident	59 Å²	59	61.9 Å²	61.9	28%	0.276	31%	0.313	S	S	.	.	H	α-helix	trans	-62.5	-44.5	172.8	-72.4	-68.8	169.7	0	0	111.7	N232 I233 S239 M240 F564 N567	N232-E236 WeakPolarHBondContact O-CG 3.5Å; N232-E236 PolarHBondContact O-N 3.47Å; I233-E236 PolarHBondContact O-N 3.44Å; E236-S239 PolarHBondContact O-N 2.68Å; E236-M240 PolarHBondContact O-N 2.78Å; E236-F564 HydrophobicContact CB-CD2 4.16Å; E236-F564 HydrophobicContact CB-CE2 4.19Å; E236-N567 HydrophobicContact CG-CB 4.21Å; E236-N567 PolarHBondContact OE1-ND2 3.35Å
237	F	79.6	Confident	79.5	Confident	81 Å²	81	62.7 Å²	62.7	36%	0.355	32%	0.32	S	S	.	.	H	α-helix	trans	-62.2	-44.4	174	-100.3	-82.4	0	0	0	112.3	I233 L234 S239 M240 L241 F564 I568	I233-F237 HydrophobicContact CG2-CD2 3.96Å; I233-F237 HydrophobicContact CG2-CE2 4.23Å; I233-F237 WeakPolarHBondContact O-CD2 3.34Å; I233-F237 PolarHBondContact O-N 3.02Å; L234-F237 PolarHBondContact O-N 3.3Å; F237-S239 VanDerWaalsContact C-N 3.35Å; F237-M240 WeakPolarHBondContact O-CB 3.39Å; F237-M240 PolarHBondContact O-N 3.39Å; F237-L241 VanDerWaalsContact O-CG 3.27Å; F237-L241 WeakPolarHBondContact O-CG 3.19Å; F237-L241 PolarHBondContact O-N 2.99Å; F237-F564 HydrophobicContact CD1-CZ 4.14Å; F237-F564 HydrophobicContact CD2-CE2 4.07Å; F237-F564 AromaticContact CD2-CZ 3.87Å; F237-F564 HydrophobicContact CD2-CZ 3.87Å; F237-F564 AromaticContact CE1-CZ 3.97Å; F237-F564 HydrophobicContact CE1-CZ 3.97Å; F237-F564 HydrophobicContact CE2-CE2 4.34Å; F237-F564 AromaticContact CE2-CZ 3.69Å; F237-F564 HydrophobicContact CE2-CZ 3.69Å; F237-F564 HydrophobicContact CG-CE2 4.2Å; F237-F564 HydrophobicContact CG-CZ 4.11Å; F237-F564 AromaticContact CZ-CZ 3.75Å; F237-F564 HydrophobicContact CZ-CZ 3.75Å; F237-I568 HydrophobicContact CD2-CD1 4.45Å; F237-I568 HydrophobicContact CE2-CD1 3.94Å
238	N	84.6	Confident	80.3	Confident	17 Å²	17	61.3 Å²	61.3	9%	0.091	31%	0.313	C	S	.	.	H	α-helix	trans	-67.5	-36.3	179.7	-75.7	-35.8	0	0	0	111.4	L234 N235 L241 Y242 N366 I367	L234-N238 WeakPolarHBondContact O-CB 3.13Å; L234-N238 PolarHBondContact O-N 2.96Å; L234-N238 PolarHBondContact O-ND2 2.98Å; L234-N238 VanDerWaalsContact O-ND2 3.07Å; N235-N238 PolarHBondContact O-N 3.35Å; N238-L241 PolarHBondContact O-N 3.01Å; N238-Y242 VanDerWaalsContact O-CB 3.31Å; N238-Y242 WeakPolarHBondContact O-CB 3.5Å; N238-Y242 PolarHBondContact O-N 2.9Å; N238-N366 HydrophobicContact CB-CB 4.43Å; N238-N366 WeakPolarHBondContact OD1-CA 3.49Å; N238-N366 WeakPolarHBondContact OD1-CB 3.23Å; N238-I367 PolarHBondContact ND2-O 2.92Å; N238-I367 PolarHBondContact OD1-N 3.41Å
239	S	84	Confident	80.9	Confident	61 Å²	61	59.1 Å²	59.1	43%	0.427	31%	0.305	S	S	.	.	H	α-helix	trans	-62.4	-44.1	171.9	-173	0	0	0	0	111.5	N235 E236 F237 Y242 N243	N235-S239 WeakPolarHBondContact O-CB 3.3Å; N235-S239 PolarHBondContact O-N 3.32Å; E236-S239 PolarHBondContact O-N 2.68Å; F237-S239 VanDerWaalsContact C-N 3.35Å; S239-Y242 PolarHBondContact O-N 3.5Å; S239-N243 PolarHBondContact O-N 3.44Å; S239-N243 PolarHBondContact O-ND2 2.82Å
240	M	80.3	Confident	81.6	Confident	83 Å²	83	63 Å²	63	41%	0.409	33%	0.325	S	S	.	.	H	α-helix	trans	-60.8	-48.7	173.9	-177.6	-169.2	176.4	0	0	111.8	E236 F237 Y242 N243 I244 F564	E236-M240 PolarHBondContact O-N 2.78Å; F237-M240 WeakPolarHBondContact O-CB 3.39Å; F237-M240 PolarHBondContact O-N 3.39Å; M240-Y242 VanDerWaalsContact C-N 3.3Å; M240-Y242 PolarHBondContact O-N 2.71Å; M240-N243 PolarHBondContact O-N 3.17Å; M240-I244 HydrophobicContact CE-CD1 3.98Å; M240-I244 HydrophobicContact CG-CD1 4.04Å; M240-I244 WeakPolarHBondContact O-CG1 3.2Å; M240-I244 PolarHBondContact O-N 2.93Å; M240-F564 HydrophobicContact CB-CE2 4.45Å; M240-F564 HydrophobicContact SD-CE1 4.2Å; M240-F564 HydrophobicContact SD-CE2 4.18Å; M240-F564 HydrophobicContact SD-CZ 3.97Å
241	L	83.6	Confident	82.1	Confident	22 Å²	22	64.5 Å²	64.5	12%	0.115	33%	0.333	C	S	.	.	H	α-helix	trans	-61.3	-39.7	178.3	-70.3	170.6	0	0	0	111.5	F237 N238 I244 R245 I362 I367	F237-L241 VanDerWaalsContact O-CG 3.27Å; F237-L241 WeakPolarHBondContact O-CG 3.19Å; F237-L241 PolarHBondContact O-N 2.99Å; N238-L241 PolarHBondContact O-N 3.01Å; L241-I244 PolarHBondContact O-N 3.08Å; L241-R245 VanDerWaalsContact O-CG 3.27Å; L241-R245 WeakPolarHBondContact O-CG 3.37Å; L241-R245 PolarHBondContact O-N 3.28Å; L241-I362 HydrophobicContact CD2-CG2 3.6Å; L241-I367 HydrophobicContact CD1-CD1 3.63Å; L241-I367 HydrophobicContact CD1-CG1 3.86Å
242	Y	85.9	Confident	82.4	Confident	139 Å²	139	63.5 Å²	63.5	55%	0.545	33%	0.326	S	S	.	.	H	α-helix	trans	-61.3	-48.7	174.3	177.2	-97.1	0	0	0	111.7	N238 S239 M240 I244 R245 V246	N238-Y242 VanDerWaalsContact O-CB 3.31Å; N238-Y242 WeakPolarHBondContact O-CB 3.5Å; N238-Y242 PolarHBondContact O-N 2.9Å; S239-Y242 PolarHBondContact O-N 3.5Å; M240-Y242 VanDerWaalsContact C-N 3.3Å; M240-Y242 PolarHBondContact O-N 2.71Å; Y242-I244 VanDerWaalsContact C-N 3.28Å; Y242-I244 PolarHBondContact O-N 3.32Å; Y242-R245 WeakPolarHBondContact O-CB 3.45Å; Y242-R245 PolarHBondContact O-N 3.16Å; Y242-R245 VanDerWaalsContact O-N 3.1Å; Y242-V246 HydrophobicContact CD1-CG2 4.11Å; Y242-V246 HydrophobicContact CE1-CG2 3.62Å; Y242-V246 HydrophobicContact CE2-CG2 4.07Å; Y242-V246 WeakPolarHBondContact O-CG2 3.45Å; Y242-V246 PolarHBondContact O-N 3.2Å
243	N	84.5	Confident	82.8	Confident	85 Å²	85	64.2 Å²	64.2	46%	0.455	33%	0.329	S	S	.	.	H	α-helix	trans	-58.7	-41.8	177.2	-72.4	-23.3	0	0	0	111.5	S239 M240 V246 I247	S239-N243 PolarHBondContact O-N 3.44Å; S239-N243 PolarHBondContact O-ND2 2.82Å; M240-N243 PolarHBondContact O-N 3.17Å; N243-V246 PolarHBondContact O-N 3.28Å; N243-I247 WeakPolarHBondContact O-CD1 3.42Å; N243-I247 VanDerWaalsContact O-CG1 3.27Å; N243-I247 WeakPolarHBondContact O-CG1 3.31Å; N243-I247 PolarHBondContact O-N 2.73Å
244	I	83	Confident	83	Confident	52 Å²	52	69.3 Å²	69.3	27%	0.267	35%	0.35	S	S	.	.	H	α-helix	trans	-62.2	-45.3	175.1	-67.2	165.7	0	0	0	110.9	M240 L241 Y242 V246 I247 L248 I362	M240-I244 HydrophobicContact CE-CD1 3.98Å; M240-I244 HydrophobicContact CG-CD1 4.04Å; M240-I244 WeakPolarHBondContact O-CG1 3.2Å; M240-I244 PolarHBondContact O-N 2.93Å; L241-I244 PolarHBondContact O-N 3.08Å; Y242-I244 VanDerWaalsContact C-N 3.28Å; Y242-I244 PolarHBondContact O-N 3.32Å; I244-V246 PolarHBondContact O-N 3.17Å; I244-I247 PolarHBondContact O-N 3.42Å; I244-L248 HydrophobicContact CG2-CD1 4.28Å; I244-L248 WeakPolarHBondContact O-CB 3.46Å; I244-L248 PolarHBondContact O-N 3.39Å; I244-I362 HydrophobicContact CG2-CD1 3.75Å
245	R	85.9	Confident	82.9	Confident	40 Å²	40	68.8 Å²	68.8	15%	0.151	35%	0.349	C	S	.	.	H	α-helix	trans	-61.6	-40.9	177.3	-72.1	171.4	-172.1	153.9	10.9	112.3	L241 Y242 L248 S249 G363 R364 D365 N366	L241-R245 VanDerWaalsContact O-CG 3.27Å; L241-R245 WeakPolarHBondContact O-CG 3.37Å; L241-R245 PolarHBondContact O-N 3.28Å; Y242-R245 WeakPolarHBondContact O-CB 3.45Å; Y242-R245 PolarHBondContact O-N 3.16Å; Y242-R245 VanDerWaalsContact O-N 3.1Å; R245-L248 WeakPolarHBondContact O-CB 3.28Å; R245-L248 PolarHBondContact O-N 3.42Å; R245-S249 WeakPolarHBondContact O-CB 3.45Å; R245-S249 PolarHBondContact O-N 3.29Å; R245-G363 VanDerWaalsContact CZ-O 3.25Å; R245-G363 PolarHBondContact NE-O 2.97Å; R245-G363 PolarHBondContact NH2-O 3.45Å; R245-R364 VanDerWaalsContact CZ-O 3.24Å; R245-R364 PolarHBondContact NH1-O 3.11Å; R245-D365 PolarHBondContact NH2-O 2.67Å; R245-N366 PolarHBondContact NH1-OD1 3.14Å
246	V	86.6	Confident	82.8	Confident	50 Å²	50	67 Å²	67	30%	0.303	34%	0.339	S	S	.	.	H	α-helix	trans	-64.3	-45.4	176.3	171.5	0	0	0	0	110.9	Y242 N243 I244 L248 S249 N250	Y242-V246 HydrophobicContact CD1-CG2 4.11Å; Y242-V246 HydrophobicContact CE1-CG2 3.62Å; Y242-V246 HydrophobicContact CE2-CG2 4.07Å; Y242-V246 WeakPolarHBondContact O-CG2 3.45Å; Y242-V246 PolarHBondContact O-N 3.2Å; N243-V246 PolarHBondContact O-N 3.28Å; I244-V246 PolarHBondContact O-N 3.17Å; V246-L248 VanDerWaalsContact C-N 3.33Å; V246-L248 PolarHBondContact O-N 2.96Å; V246-S249 PolarHBondContact O-N 3.49Å; V246-N250 WeakPolarHBondContact O-CB 3.23Å; V246-N250 VanDerWaalsContact O-CG 3.3Å; V246-N250 PolarHBondContact O-N 3.07Å
247	I	84.4	Confident	82.8	Confident	99 Å²	99	70.1 Å²	70.1	51%	0.508	35%	0.354	S	S	.	.	H	α-helix	trans	-59.1	-46.8	174.9	-70	163.4	0	0	0	110.1	N243 I244 S249 N250 I251	N243-I247 WeakPolarHBondContact O-CD1 3.42Å; N243-I247 VanDerWaalsContact O-CG1 3.27Å; N243-I247 WeakPolarHBondContact O-CG1 3.31Å; N243-I247 PolarHBondContact O-N 2.73Å; I244-I247 PolarHBondContact O-N 3.42Å; I247-S249 PolarHBondContact O-N 2.94Å; I247-N250 PolarHBondContact O-N 2.84Å; I247-I251 HydrophobicContact CG2-CD1 3.77Å; I247-I251 HydrophobicContact CG2-CG1 4.48Å; I247-I251 VanDerWaalsContact O-CG1 3.27Å; I247-I251 WeakPolarHBondContact O-CG1 3.41Å; I247-I251 PolarHBondContact O-N 2.99Å
248	L	84.1	Confident	82.6	Confident	23 Å²	23	70.1 Å²	70.1	12%	0.12	36%	0.357	C	S	.	.	H	α-helix	trans	-57	-48.8	176.6	-122.6	86	0	0	0	111.1	I244 R245 V246 N250 I251 Q252 M355 I358 L359	I244-L248 HydrophobicContact CG2-CD1 4.28Å; I244-L248 WeakPolarHBondContact O-CB 3.46Å; I244-L248 PolarHBondContact O-N 3.39Å; R245-L248 WeakPolarHBondContact O-CB 3.28Å; R245-L248 PolarHBondContact O-N 3.42Å; V246-L248 VanDerWaalsContact C-N 3.33Å; V246-L248 PolarHBondContact O-N 2.96Å; L248-N250 PolarHBondContact O-N 3.31Å; L248-I251 WeakPolarHBondContact O-CB 3.3Å; L248-I251 PolarHBondContact O-N 3.5Å; L248-Q252 PolarHBondContact O-N 3.3Å; L248-M355 VanDerWaalsContact C-CE 3.45Å; L248-M355 HydrophobicContact CB-CE 3.52Å; L248-M355 HydrophobicContact CB-SD 4.46Å; L248-M355 HydrophobicContact CD2-CE 3.38Å; L248-M355 HydrophobicContact CD2-SD 3.52Å; L248-M355 VanDerWaalsContact CD2-SD 3.52Å; L248-M355 HydrophobicContact CG-CE 3.47Å; L248-M355 VanDerWaalsContact CG-CE 3.47Å; L248-M355 HydrophobicContact CG-SD 3.76Å; L248-M355 WeakPolarHBondContact O-CE 3.06Å; L248-I358 HydrophobicContact CD1-CG2 4.07Å; L248-I358 HydrophobicContact CD2-CB 4.2Å; L248-I358 HydrophobicContact CD2-CG2 3.62Å; L248-I358 HydrophobicContact CG-CG2 4.46Å; L248-L359 HydrophobicContact CD2-CD2 3.8Å; L248-L359 HydrophobicContact CD2-CG 3.92Å
249	S	83.7	Confident	82	Confident	53 Å²	53	70.9 Å²	70.9	37%	0.371	36%	0.36	S	S	.	.	H	α-helix	trans	-61	-43.2	179.3	-176	0	0	0	0	112	R245 V246 I247 I251 Q252 L253	R245-S249 WeakPolarHBondContact O-CB 3.45Å; R245-S249 PolarHBondContact O-N 3.29Å; V246-S249 PolarHBondContact O-N 3.49Å; I247-S249 PolarHBondContact O-N 2.94Å; S249-I251 VanDerWaalsContact C-N 3.34Å; S249-I251 PolarHBondContact O-N 3.42Å; S249-Q252 PolarHBondContact O-N 3.5Å; S249-L253 WeakPolarHBondContact O-CG 3.37Å; S249-L253 PolarHBondContact O-N 3.5Å
250	N	84.2	Confident	81.5	Confident	93 Å²	93	74.3 Å²	74.3	50%	0.497	37%	0.368	S	S	.	.	H	α-helix	trans	-62.4	-41.2	175.8	-72.6	-14.3	0	0	0	111.7	V246 I247 L248 Q252 L253 F254	V246-N250 WeakPolarHBondContact O-CB 3.23Å; V246-N250 VanDerWaalsContact O-CG 3.3Å; V246-N250 PolarHBondContact O-N 3.07Å; I247-N250 PolarHBondContact O-N 2.84Å; L248-N250 PolarHBondContact O-N 3.31Å; N250-Q252 VanDerWaalsContact C-N 3.33Å; N250-Q252 PolarHBondContact O-N 2.92Å; N250-L253 PolarHBondContact O-N 3.46Å; N250-F254 VanDerWaalsContact O-CB 3.27Å; N250-F254 WeakPolarHBondContact O-CB 2.8Å; N250-F254 PolarHBondContact O-N 3.2Å
251	I	80.6	Confident	81.2	Confident	90 Å²	90	75.2 Å²	75.2	46%	0.462	37%	0.373	S	S	.	.	H	α-helix	trans	-62.4	-41.9	175.1	-68.8	165.3	0	0	0	110.6	I247 L248 S249 F254 S255 F351	I247-I251 HydrophobicContact CG2-CD1 3.77Å; I247-I251 HydrophobicContact CG2-CG1 4.48Å; I247-I251 VanDerWaalsContact O-CG1 3.27Å; I247-I251 WeakPolarHBondContact O-CG1 3.41Å; I247-I251 PolarHBondContact O-N 2.99Å; L248-I251 WeakPolarHBondContact O-CB 3.3Å; L248-I251 PolarHBondContact O-N 3.5Å; S249-I251 VanDerWaalsContact C-N 3.34Å; S249-I251 PolarHBondContact O-N 3.42Å; I251-F254 PolarHBondContact O-N 3.19Å; I251-S255 WeakPolarHBondContact O-CB 3.49Å; I251-S255 PolarHBondContact O-N 2.92Å; I251-F351 HydrophobicContact CG2-CZ 4.29Å
252	Q	82.5	Confident	80.5	Confident	56 Å²	56	77.8 Å²	77.8	26%	0.262	39%	0.386	S	S	.	.	H	α-helix	trans	-66.8	-41.8	176.9	-179.7	-178.7	6.5	0	0	112.6	L248 S249 N250 S255 L256 F351 M355	L248-Q252 PolarHBondContact O-N 3.3Å; S249-Q252 PolarHBondContact O-N 3.5Å; N250-Q252 VanDerWaalsContact C-N 3.33Å; N250-Q252 PolarHBondContact O-N 2.92Å; Q252-S255 PolarHBondContact O-N 3.17Å; Q252-S255 PolarHBondContact O-OG 2.88Å; Q252-L256 HydrophobicContact CG-CD1 4.19Å; Q252-L256 WeakPolarHBondContact O-CB 3.21Å; Q252-L256 VanDerWaalsContact O-CG 3.24Å; Q252-L256 WeakPolarHBondContact O-CG 3.45Å; Q252-L256 PolarHBondContact O-N 3.32Å; Q252-F351 HydrophobicContact CB-CE1 4.27Å; Q252-F351 HydrophobicContact CG-CE1 4.25Å; Q252-M355 HydrophobicContact CB-CE 3.9Å
253	L	83.5	Confident	79.6	Confident	94 Å²	94	77.3 Å²	77.3	49%	0.492	39%	0.387	S	S	.	.	H	α-helix	trans	-65.5	-43.4	175.9	-75.6	172.6	0	0	0	111.3	S249 N250 S255 L256 Q257	S249-L253 WeakPolarHBondContact O-CG 3.37Å; S249-L253 PolarHBondContact O-N 3.5Å; N250-L253 PolarHBondContact O-N 3.46Å; L253-S255 VanDerWaalsContact C-N 3.35Å; L253-L256 PolarHBondContact O-N 2.97Å; L253-Q257 WeakPolarHBondContact O-CB 3.32Å; L253-Q257 WeakPolarHBondContact O-CG 3.44Å; L253-Q257 PolarHBondContact O-N 3.4Å
254	F	80.7	Confident	78.9	Confident	133 Å²	133	78.1 Å²	78.1	58%	0.583	39%	0.391	S	S	*	.	H	α-helix	trans	-59.5	-45.9	174.6	179	-100.2	0	0	0	111.3	N250 I251 L256 Q257 L258	N250-F254 VanDerWaalsContact O-CB 3.27Å; N250-F254 WeakPolarHBondContact O-CB 2.8Å; N250-F254 PolarHBondContact O-N 3.2Å; I251-F254 PolarHBondContact O-N 3.19Å; F254-L256 VanDerWaalsContact C-N 3.34Å; F254-L256 PolarHBondContact O-N 3.19Å; F254-Q257 PolarHBondContact O-N 3.34Å; F254-L258 HydrophobicContact CZ-CD1 4.36Å; F254-L258 WeakPolarHBondContact O-CB 3.34Å; F254-L258 PolarHBondContact O-N 2.78Å
255	S	78.4	Confident	78.3	Confident	16 Å²	16	79.2 Å²	79.2	11%	0.112	40%	0.397	C	S	.	.	H	α-helix	trans	-63.5	-39.9	178.4	76.8	0	0	0	0	111.8	I251 Q252 L253 L258 M259 F351	I251-S255 WeakPolarHBondContact O-CB 3.49Å; I251-S255 PolarHBondContact O-N 2.92Å; Q252-S255 PolarHBondContact O-N 3.17Å; Q252-S255 PolarHBondContact O-OG 2.88Å; L253-S255 VanDerWaalsContact C-N 3.35Å; S255-L258 WeakPolarHBondContact O-CB 3.43Å; S255-L258 PolarHBondContact O-N 3.45Å; S255-M259 WeakPolarHBondContact O-CB 3.45Å; S255-M259 VanDerWaalsContact O-CG 3.23Å; S255-M259 WeakPolarHBondContact O-CG 3.44Å; S255-M259 PolarHBondContact O-N 3.18Å; S255-F351 WeakPolarHBondContact OG-CE1 3.48Å; S255-F351 VanDerWaalsContact OG-CZ 3.28Å; S255-F351 WeakPolarHBondContact OG-CZ 3.43Å
256	L	79.6	Confident	77.2	Confident	62 Å²	62	79 Å²	79	33%	0.325	40%	0.399	S	S	.	.	H	α-helix	trans	-66.8	-39.6	175.3	-71.7	171.3	0	0	0	112.8	Q252 L253 F254 M259 K260	Q252-L256 HydrophobicContact CG-CD1 4.19Å; Q252-L256 WeakPolarHBondContact O-CB 3.21Å; Q252-L256 VanDerWaalsContact O-CG 3.24Å; Q252-L256 WeakPolarHBondContact O-CG 3.45Å; Q252-L256 PolarHBondContact O-N 3.32Å; L253-L256 PolarHBondContact O-N 2.97Å; F254-L256 VanDerWaalsContact C-N 3.34Å; F254-L256 PolarHBondContact O-N 3.19Å; L256-M259 PolarHBondContact O-N 3.09Å; L256-K260 WeakPolarHBondContact O-CB 3.25Å; L256-K260 PolarHBondContact O-N 3.24Å
257	Q	79	Confident	76	Confident	124 Å²	124	83.9 Å²	83.9	58%	0.579	42%	0.418	S	S	*	.	H	α-helix	trans	-63.9	-46.2	174.3	-77	-179.7	-3.1	0	0	111.1	L253 F254 M259 K260 I261	L253-Q257 WeakPolarHBondContact O-CB 3.32Å; L253-Q257 WeakPolarHBondContact O-CG 3.44Å; L253-Q257 PolarHBondContact O-N 3.4Å; F254-Q257 PolarHBondContact O-N 3.34Å; Q257-M259 VanDerWaalsContact C-N 3.29Å; Q257-M259 PolarHBondContact O-N 3.16Å; Q257-K260 WeakPolarHBondContact O-CB 3.35Å; Q257-K260 PolarHBondContact O-N 3.27Å; Q257-K260 VanDerWaalsContact O-N 3.08Å; Q257-I261 WeakPolarHBondContact O-CG1 3.37Å; Q257-I261 PolarHBondContact O-N 3.41Å
258	L	75.5	Confident	75	Confident	81 Å²	81	86.4 Å²	86.4	42%	0.424	42%	0.422	S	S	.	.	H	α-helix	trans	-55.4	-47.5	174	-166	90.5	0	0	0	110.3	F254 S255 K260 I261 I262	F254-L258 HydrophobicContact CZ-CD1 4.36Å; F254-L258 WeakPolarHBondContact O-CB 3.34Å; F254-L258 PolarHBondContact O-N 2.78Å; S255-L258 WeakPolarHBondContact O-CB 3.43Å; S255-L258 PolarHBondContact O-N 3.45Å; L258-K260 VanDerWaalsContact C-N 3.31Å; L258-K260 PolarHBondContact O-N 3.48Å; L258-I261 PolarHBondContact O-N 3.12Å; L258-I262 HydrophobicContact CD2-CD1 4.24Å; L258-I262 HydrophobicContact CG-CD1 4.15Å; L258-I262 VanDerWaalsContact O-CG1 3.25Å; L258-I262 WeakPolarHBondContact O-CG1 3.37Å; L258-I262 PolarHBondContact O-N 2.82Å
259	M	72.5	Confident	73.8	Confident	32 Å²	32	88.7 Å²	88.7	16%	0.158	43%	0.433	C	S	.	.	H	α-helix	trans	-61.1	-37	176.1	-73.5	-60.4	-69.4	0	0	112.9	S255 L256 Q257 K263 F347	S255-M259 WeakPolarHBondContact O-CB 3.45Å; S255-M259 VanDerWaalsContact O-CG 3.23Å; S255-M259 WeakPolarHBondContact O-CG 3.44Å; S255-M259 PolarHBondContact O-N 3.18Å; L256-M259 PolarHBondContact O-N 3.09Å; Q257-M259 VanDerWaalsContact C-N 3.29Å; Q257-M259 PolarHBondContact O-N 3.16Å; M259-K263 VanDerWaalsContact O-CB 3.28Å; M259-K263 WeakPolarHBondContact O-CB 3.38Å; M259-K263 PolarHBondContact O-N 3.27Å; M259-F347 HydrophobicContact CE-CB 4.31Å; M259-F347 HydrophobicContact CE-CD1 3.8Å; M259-F347 HydrophobicContact CE-CG 4.46Å; M259-F347 HydrophobicContact CG-CD1 4.21Å; M259-F347 HydrophobicContact CG-CE1 4.29Å; M259-F347 HydrophobicContact SD-CD1 3.37Å; M259-F347 WeakPolarHBondContact SD-CD1 3.48Å; M259-F347 HydrophobicContact SD-CE1 3.69Å; M259-F347 HydrophobicContact SD-CG 4.37Å
260	K	73.6	Confident	72.5	Confident	134 Å²	134	88.9 Å²	88.9	58%	0.583	43%	0.428	S	S	*	.	H	α-helix	trans	-70	-40.9	176.6	-172.1	178.8	179.3	-178	0	112.1	L256 Q257 L258 I262 K263 N264	L256-K260 WeakPolarHBondContact O-CB 3.25Å; L256-K260 PolarHBondContact O-N 3.24Å; Q257-K260 WeakPolarHBondContact O-CB 3.35Å; Q257-K260 PolarHBondContact O-N 3.27Å; Q257-K260 VanDerWaalsContact O-N 3.08Å; L258-K260 VanDerWaalsContact C-N 3.31Å; L258-K260 PolarHBondContact O-N 3.48Å; K260-I262 VanDerWaalsContact C-N 3.35Å; K260-K263 PolarHBondContact O-N 3.01Å; K260-N264 WeakPolarHBondContact O-CB 3.42Å; K260-N264 VanDerWaalsContact O-CG 3.31Å; K260-N264 PolarHBondContact O-N 2.72Å; K260-N264 PolarHBondContact O-OD1 2.93Å
261	I	73.8	Confident	71.1	Confident	102 Å²	102	87.2 Å²	87.2	52%	0.523	42%	0.424	S	S	.	.	H	α-helix	trans	-61.2	-48.3	174.9	-68.1	164.6	0	0	0	109.5	Q257 L258 K263 N264 N265	Q257-I261 WeakPolarHBondContact O-CG1 3.37Å; Q257-I261 PolarHBondContact O-N 3.41Å; L258-I261 PolarHBondContact O-N 3.12Å; I261-K263 VanDerWaalsContact C-N 3.33Å; I261-K263 PolarHBondContact O-N 3Å; I261-N264 PolarHBondContact O-N 2.79Å; I261-N265 WeakPolarHBondContact O-CB 3.37Å; I261-N265 PolarHBondContact O-N 3.38Å
262	I	69.2	Low	69.8	Low	76 Å²	76	86.5 Å²	86.5	39%	0.39	42%	0.42	S	S	.	.	H	α-helix	trans	-55.8	-52.1	175.1	-67.9	165.3	0	0	0	109	L258 K260 N264 N265 I266	L258-I262 HydrophobicContact CD2-CD1 4.24Å; L258-I262 HydrophobicContact CG-CD1 4.15Å; L258-I262 VanDerWaalsContact O-CG1 3.25Å; L258-I262 WeakPolarHBondContact O-CG1 3.37Å; L258-I262 PolarHBondContact O-N 2.82Å; K260-I262 VanDerWaalsContact C-N 3.35Å; I262-N264 PolarHBondContact O-N 2.73Å; I262-N265 CarbonylContact O-C 3.4Å; I262-N265 PolarHBondContact O-N 3.29Å; I262-I266 WeakPolarHBondContact O-CG1 3.32Å; I262-I266 PolarHBondContact O-N 3.24Å
263	K	67.1	Low	68.5	Low	128 Å²	128	85.7 Å²	85.7	56%	0.557	42%	0.417	S	S	*	.	H	α-helix	trans	-57.7	-47.5	-180	-173.4	-178.1	177.6	-175.9	0	113.7	M259 K260 I261 N265 I266	M259-K263 VanDerWaalsContact O-CB 3.28Å; M259-K263 WeakPolarHBondContact O-CB 3.38Å; M259-K263 PolarHBondContact O-N 3.27Å; K260-K263 PolarHBondContact O-N 3.01Å; I261-K263 VanDerWaalsContact C-N 3.33Å; I261-K263 PolarHBondContact O-N 3Å; K263-N265 VanDerWaalsContact C-N 3.27Å; K263-N265 PolarHBondContact O-N 2.64Å; K263-I266 HydrophobicContact CB-CD1 4.39Å; K263-I266 HydrophobicContact CG-CD1 4.32Å; K263-I266 VanDerWaalsContact O-CB 3.26Å; K263-I266 WeakPolarHBondContact O-CB 3.47Å; K263-I266 PolarHBondContact O-N 3.29Å; K263-I266 VanDerWaalsContact O-N 3.08Å
264	N	69.9	Low	67	Low	102 Å²	102	84.2 Å²	84.2	55%	0.545	41%	0.409	S	S	.	.	H	α-helix	trans	-65.7	-35.6	-179.1	-75.5	5.1	0	0	0	111.5	K260 I261 I262 I266	K260-N264 WeakPolarHBondContact O-CB 3.42Å; K260-N264 VanDerWaalsContact O-CG 3.31Å; K260-N264 PolarHBondContact O-N 2.72Å; K260-N264 PolarHBondContact O-OD1 2.93Å; I261-N264 PolarHBondContact O-N 2.79Å; I262-N264 PolarHBondContact O-N 2.73Å; N264-I266 VanDerWaalsContact C-N 3.28Å
265	N	69.2	Low	65.7	Low	75 Å²	75	81.2 Å²	81.2	40%	0.401	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	1.7	175.7	-66.1	-10.9	0	0	0	112.3	I261 I262 K263 E267 W268 I269	I261-N265 WeakPolarHBondContact O-CB 3.37Å; I261-N265 PolarHBondContact O-N 3.38Å; I262-N265 CarbonylContact O-C 3.4Å; I262-N265 PolarHBondContact O-N 3.29Å; K263-N265 VanDerWaalsContact C-N 3.27Å; K263-N265 PolarHBondContact O-N 2.64Å; N265-E267 VanDerWaalsContact C-N 3.26Å; N265-E267 PolarHBondContact O-N 3.32Å; N265-W268 CarbonylContact O-C 3.57Å; N265-W268 PolarHBondContact O-N 3.37Å; N265-W268 VanDerWaalsContact O-N 3.11Å; N265-I269 HydrophobicContact CB-CD1 4.47Å; N265-I269 WeakPolarHBondContact O-CB 3.41Å; N265-I269 WeakPolarHBondContact O-CG1 3.29Å; N265-I269 PolarHBondContact O-N 2.64Å
266	I	63.8	Low	64.4	Low	37 Å²	37	83.7 Å²	83.7	19%	0.19	42%	0.422	C	S	.	.	H	α-helix	trans	-57.1	-45.5	175.8	-79.2	171.6	0	0	0	109.1	I262 K263 N264 W268 I269 E270 R339	I262-I266 WeakPolarHBondContact O-CG1 3.32Å; I262-I266 PolarHBondContact O-N 3.24Å; K263-I266 HydrophobicContact CB-CD1 4.39Å; K263-I266 HydrophobicContact CG-CD1 4.32Å; K263-I266 VanDerWaalsContact O-CB 3.26Å; K263-I266 WeakPolarHBondContact O-CB 3.47Å; K263-I266 PolarHBondContact O-N 3.29Å; K263-I266 VanDerWaalsContact O-N 3.08Å; N264-I266 VanDerWaalsContact C-N 3.28Å; I266-W268 VanDerWaalsContact C-N 3.3Å; I266-W268 PolarHBondContact O-N 3.08Å; I266-I269 CarbonylContact O-C 3.49Å; I266-I269 WeakPolarHBondContact O-CB 3.4Å; I266-I269 PolarHBondContact O-N 3.25Å; I266-E270 VanDerWaalsContact CG2-OE1 3.28Å; I266-E270 WeakPolarHBondContact CG2-OE1 3.5Å; I266-E270 VanDerWaalsContact O-CB 3.26Å; I266-E270 WeakPolarHBondContact O-CB 3.4Å; I266-E270 PolarHBondContact O-N 3.34Å; I266-R339 PolarHBondContact O-NH2 2.84Å; I266-R339 VanDerWaalsContact O-NH2 3.09Å
267	E	60.6	Low	63.3	Low	151 Å²	151	81.8 Å²	81.8	71%	0.706	41%	0.414	S	S	*	.	H	α-helix	trans	-63.8	-34	178.9	-71	-178.1	-174.7	0	0	112.4	N265 E270 S271	N265-E267 VanDerWaalsContact C-N 3.26Å; N265-E267 PolarHBondContact O-N 3.32Å; E267-E270 CarbonylContact O-C 3.49Å; E267-E270 VanDerWaalsContact O-CB 3.3Å; E267-E270 WeakPolarHBondContact O-CB 3.28Å; E267-E270 PolarHBondContact O-N 3.12Å; E267-S271 VanDerWaalsContact O-CB 3.3Å; E267-S271 WeakPolarHBondContact O-CB 3.39Å; E267-S271 PolarHBondContact O-N 3.4Å
268	W	63.7	Low	62	Low	152 Å²	152	82 Å²	82	58%	0.576	41%	0.413	S	S	*	.	H	α-helix	trans	-74	-39.4	173.8	176.9	81	0	0	0	112.2	N265 I266 E270 S271 I272	N265-W268 CarbonylContact O-C 3.57Å; N265-W268 PolarHBondContact O-N 3.37Å; N265-W268 VanDerWaalsContact O-N 3.11Å; I266-W268 VanDerWaalsContact C-N 3.3Å; I266-W268 PolarHBondContact O-N 3.08Å; W268-E270 PolarHBondContact O-N 3.1Å; W268-S271 WeakPolarHBondContact CA-OG 3.32Å; W268-S271 PolarHBondContact O-N 3.42Å; W268-S271 PolarHBondContact O-OG 3.06Å; W268-I272 HydrophobicContact CD2-CD1 3.69Å; W268-I272 HydrophobicContact CD2-CG1 4.37Å; W268-I272 HydrophobicContact CE3-CD1 3.94Å; W268-I272 HydrophobicContact CH2-CD1 3.4Å; W268-I272 VanDerWaalsContact CH2-CD1 3.4Å; W268-I272 HydrophobicContact CZ2-CD1 3.12Å; W268-I272 HydrophobicContact CZ2-CG1 4.36Å; W268-I272 HydrophobicContact CZ3-CD1 3.79Å; W268-I272 WeakPolarHBondContact O-CB 3.35Å; W268-I272 WeakPolarHBondContact O-CG1 3.35Å; W268-I272 PolarHBondContact O-N 3.35Å
269	I	59.9	Low	60.8	Low	71 Å²	71	84.4 Å²	84.4	36%	0.364	43%	0.426	S	S	.	.	H	α-helix	trans	-63.5	-36	170.7	-65.4	164.7	0	0	0	109.2	N265 I266 Q273	N265-I269 HydrophobicContact CB-CD1 4.47Å; N265-I269 WeakPolarHBondContact O-CB 3.41Å; N265-I269 WeakPolarHBondContact O-CG1 3.29Å; N265-I269 PolarHBondContact O-N 2.64Å; I266-I269 CarbonylContact O-C 3.49Å; I266-I269 WeakPolarHBondContact O-CB 3.4Å; I266-I269 PolarHBondContact O-N 3.25Å; I269-Q273 WeakPolarHBondContact O-CB 3.18Å; I269-Q273 PolarHBondContact O-N 2.78Å
270	E	55	Low	59.9	Low	57 Å²	57	86.4 Å²	86.4	27%	0.266	44%	0.438	S	S	.	.	H	α-helix	trans	-67.5	-40.6	171.6	-122.5	143.5	-111	0	0	111.4	I266 E267 W268 Q273 N274 R339	I266-E270 VanDerWaalsContact CG2-OE1 3.28Å; I266-E270 WeakPolarHBondContact CG2-OE1 3.5Å; I266-E270 VanDerWaalsContact O-CB 3.26Å; I266-E270 WeakPolarHBondContact O-CB 3.4Å; I266-E270 PolarHBondContact O-N 3.34Å; E267-E270 CarbonylContact O-C 3.49Å; E267-E270 VanDerWaalsContact O-CB 3.3Å; E267-E270 WeakPolarHBondContact O-CB 3.28Å; E267-E270 PolarHBondContact O-N 3.12Å; W268-E270 PolarHBondContact O-N 3.1Å; E270-Q273 PolarHBondContact O-N 3.34Å; E270-N274 WeakPolarHBondContact O-CA 3.25Å; E270-N274 WeakPolarHBondContact O-CB 3.06Å; E270-N274 PolarHBondContact O-N 2.74Å; E270-N274 PolarHBondContact O-ND2 3.31Å; E270-N274 VanDerWaalsContact O-ND2 3.15Å; E270-R339 VanDerWaalsContact CD-NH2 3.29Å; E270-R339 IonicContact OE1-CZ 2.77Å; E270-R339 IonicContact OE1-NE 3.21Å; E270-R339 PolarHBondContact OE1-NE 3.1Å; E270-R339 IonicContact OE1-NH2 3.97Å; E270-R339 PolarHBondContact OE1-NH2 3.47Å
271	S	55.4	Low	59	Low	59 Å²	59	83.2 Å²	83.2	41%	0.413	43%	0.429	S	S	.	.	H	α-helix	trans	-75.2	-37.8	-177.9	75.9	0	0	0	0	111.2	E267 W268 Q273 S275	E267-S271 VanDerWaalsContact O-CB 3.3Å; E267-S271 WeakPolarHBondContact O-CB 3.39Å; E267-S271 PolarHBondContact O-N 3.4Å; W268-S271 WeakPolarHBondContact CA-OG 3.32Å; W268-S271 PolarHBondContact O-N 3.42Å; W268-S271 PolarHBondContact O-OG 3.06Å; S271-Q273 VanDerWaalsContact C-N 3.33Å; S271-S275 WeakPolarHBondContact O-CB 3.42Å; S271-S275 PolarHBondContact O-N 2.94Å; S271-S275 PolarHBondContact O-OG 3.39Å
272	I	53.7	Low	58.5	Low	74 Å²	74	80.3 Å²	80.3	38%	0.379	42%	0.424	S	S	.	.	H	α-helix	trans	-61.2	-43.9	168.7	-72.2	179.9	0	0	0	110.1	W268 S275 S276	W268-I272 HydrophobicContact CD2-CD1 3.69Å; W268-I272 HydrophobicContact CD2-CG1 4.37Å; W268-I272 HydrophobicContact CE3-CD1 3.94Å; W268-I272 HydrophobicContact CH2-CD1 3.4Å; W268-I272 VanDerWaalsContact CH2-CD1 3.4Å; W268-I272 HydrophobicContact CZ2-CD1 3.12Å; W268-I272 HydrophobicContact CZ2-CG1 4.36Å; W268-I272 HydrophobicContact CZ3-CD1 3.79Å; W268-I272 WeakPolarHBondContact O-CB 3.35Å; W268-I272 WeakPolarHBondContact O-CG1 3.35Å; W268-I272 PolarHBondContact O-N 3.35Å; I272-S275 PolarHBondContact O-OG 3.45Å; I272-S275 VanDerWaalsContact O-OG 3.11Å; I272-S276 WeakPolarHBondContact O-CB 3.23Å; I272-S276 PolarHBondContact O-N 2.98Å; I272-S276 PolarHBondContact O-OG 2.74Å
273	Q	54.2	Low	58.4	Low	39 Å²	39	80.2 Å²	80.2	18%	0.182	42%	0.424	C	S	.	.	H	α-helix	trans	-73.8	-41	-179.1	-170.4	167.3	-12.9	0	0	112.9	I269 E270 S271 S276 C277	I269-Q273 WeakPolarHBondContact O-CB 3.18Å; I269-Q273 PolarHBondContact O-N 2.78Å; E270-Q273 PolarHBondContact O-N 3.34Å; S271-Q273 VanDerWaalsContact C-N 3.33Å; Q273-S276 PolarHBondContact O-N 2.97Å; Q273-C277 WeakPolarHBondContact O-CA 3.37Å; Q273-C277 WeakPolarHBondContact O-CB 3.4Å; Q273-C277 PolarHBondContact O-N 3.34Å
274	N	52.6	Low	58.5	Low	63 Å²	63	77.2 Å²	77.2	34%	0.337	41%	0.414	S	S	.	.	H	α-helix	trans	-71.2	-37.9	178.6	-74.9	-32.2	0	0	0	112	E270 K278 N279	E270-N274 WeakPolarHBondContact O-CA 3.25Å; E270-N274 WeakPolarHBondContact O-CB 3.06Å; E270-N274 PolarHBondContact O-N 2.74Å; E270-N274 PolarHBondContact O-ND2 3.31Å; E270-N274 VanDerWaalsContact O-ND2 3.15Å; N274-K278 HydrophobicContact CB-CB 4.36Å; N274-K278 PolarHBondContact O-N 3.29Å; N274-K278 WeakPolarHBondContact OD1-CD 3.42Å; N274-N279 PolarHBondContact O-N 2.84Å
275	S	53.3	Low	58.6	Low	70 Å²	70	75 Å²	75	49%	0.49	40%	0.399	S	S	.	.	H	α-helix	trans	-68.8	-35.7	174.6	61.9	0	0	0	0	112	S271 I272	S271-S275 WeakPolarHBondContact O-CB 3.42Å; S271-S275 PolarHBondContact O-N 2.94Å; S271-S275 PolarHBondContact O-OG 3.39Å; I272-S275 PolarHBondContact O-OG 3.45Å; I272-S275 VanDerWaalsContact O-OG 3.11Å
276	S	50.6	Low	59	Low	69 Å²	69	75.4 Å²	75.4	48%	0.483	40%	0.401	S	S	.	.	H	α-helix	trans	-87.2	-18.6	179.9	-52.4	0	0	0	0	113.6	I272 Q273 L284	I272-S276 WeakPolarHBondContact O-CB 3.23Å; I272-S276 PolarHBondContact O-N 2.98Å; I272-S276 PolarHBondContact O-OG 2.74Å; Q273-S276 PolarHBondContact O-N 2.97Å; S276-L284 VanDerWaalsContact O-CD1 3.23Å; S276-L284 WeakPolarHBondContact O-CD1 3.34Å
277	C	57.6	Low	59.6	Low	22 Å²	22	77.9 Å²	77.9	15%	0.149	41%	0.414	C	S	.	.	H	α-helix	trans	-130.3	-31.6	-172.4	-130.5	0	0	0	0	116.6	Q273 C332	Q273-C277 WeakPolarHBondContact O-CA 3.37Å; Q273-C277 WeakPolarHBondContact O-CB 3.4Å; Q273-C277 PolarHBondContact O-N 3.34Å; C277-C332 HydrophobicContact CB-CB 3.89Å; C277-C332 WeakPolarHBondContact CB-SG 3.28Å; C277-C332 WeakPolarHBondContact SG-CB 3.19Å; C277-C332 CovalentContact SG-SG 2Å; C277-C332 PolarHBondContact SG-SG 3.01Å
278	K	51.6	Low	60.5	Low	128 Å²	128	71.9 Å²	71.9	56%	0.557	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-46.5	-166.4	-155.6	165.3	-171.4	159.4	0	114.1	N274	N274-K278 HydrophobicContact CB-CB 4.36Å; N274-K278 PolarHBondContact O-N 3.29Å; N274-K278 WeakPolarHBondContact OD1-CD 3.42Å
279	N	49.2	Very low	61.5	Low	132 Å²	132	66.5 Å²	66.5	71%	0.706	37%	0.37	S	S	*	.	S	Bend	trans	-114.3	3	-165.2	-78.2	-1.5	0	0	0	115.9	N274	N274-N279 PolarHBondContact O-N 2.84Å
280	N	54.2	Low	62.6	Low	74 Å²	74	69.3 Å²	69.3	40%	0.396	38%	0.381	S	S	.	.			trans	-135.3	32.4	-171.2	-98.8	6.6	0	0	0	112.9	G282 N283 L284	N280-G282 PolarHBondContact O-N 3Å; N280-N283 HydrophobicContact CB-CB 3.76Å; N280-N283 CarbonylContact O-C 3.57Å; N280-N283 WeakPolarHBondContact O-CA 3.33Å; N280-N283 PolarHBondContact O-N 3.08Å; N280-L284 PolarHBondContact O-N 2.97Å
281	T	54.5	Low	64	Low	67 Å²	67	73.7 Å²	73.7	41%	0.411	40%	0.4	S	S	.	.	H	α-helix	trans	-51.3	-38	168.4	48.8	0	0	0	0	110.9	Y285 I325 T329	T281-Y285 WeakPolarHBondContact O-CB 3.38Å; T281-Y285 PolarHBondContact O-N 3.06Å; T281-I325 HydrophobicContact CG2-CG2 4.19Å; T281-T329 HydrophobicContact CG2-CG2 4.34Å
282	G	63.7	Low	65.4	Low	40 Å²	40	72 Å²	72	41%	0.412	39%	0.386	S	S	.	.	H	α-helix	trans	-62.2	-41.4	170.7	0	0	0	0	0	114.1	N280 N286	N280-G282 PolarHBondContact O-N 3Å; G282-N286 WeakPolarHBondContact O-CB 2.98Å; G282-N286 PolarHBondContact O-N 3.06Å; G282-N286 PolarHBondContact O-ND2 3.26Å; G282-N286 PolarHBondContact O-OD1 3.05Å
283	N	67.6	Low	67	Low	74 Å²	74	71.9 Å²	71.9	40%	0.396	39%	0.386	S	S	.	.	H	α-helix	trans	-73.4	-39.9	178.8	-166	24.7	0	0	0	112.4	N280 Y285 N286 L287	N280-N283 HydrophobicContact CB-CB 3.76Å; N280-N283 CarbonylContact O-C 3.57Å; N280-N283 WeakPolarHBondContact O-CA 3.33Å; N280-N283 PolarHBondContact O-N 3.08Å; N283-Y285 VanDerWaalsContact C-N 3.32Å; N283-Y285 PolarHBondContact O-N 3.39Å; N283-N286 PolarHBondContact O-N 3.48Å; N283-L287 WeakPolarHBondContact O-CB 3.18Å; N283-L287 VanDerWaalsContact O-CG 3.3Å; N283-L287 WeakPolarHBondContact O-CG 3.44Å; N283-L287 PolarHBondContact O-N 2.85Å
284	L	67.8	Low	68.4	Low	66 Å²	66	77.2 Å²	77.2	35%	0.346	41%	0.409	S	S	.	.	H	α-helix	trans	-63.3	-40.3	173	-79.2	161.4	0	0	0	111.5	S276 N280 N286 L287 C288	S276-L284 VanDerWaalsContact O-CD1 3.23Å; S276-L284 WeakPolarHBondContact O-CD1 3.34Å; N280-L284 PolarHBondContact O-N 2.97Å; L284-N286 VanDerWaalsContact C-N 3.35Å; L284-L287 PolarHBondContact O-N 3.05Å; L284-C288 VanDerWaalsContact O-CB 3.27Å; L284-C288 WeakPolarHBondContact O-CB 3.35Å; L284-C288 PolarHBondContact O-N 3.16Å
285	Y	73.3	Confident	69.8	Low	54 Å²	54	75.8 Å²	75.8	21%	0.212	41%	0.406	C	S	.	.	H	α-helix	trans	-59.8	-46.7	172.1	-174.1	-101.9	0	0	0	111.1	T281 N283 C288 Q289 N318 C321 N322 I325	T281-Y285 WeakPolarHBondContact O-CB 3.38Å; T281-Y285 PolarHBondContact O-N 3.06Å; N283-Y285 VanDerWaalsContact C-N 3.32Å; N283-Y285 PolarHBondContact O-N 3.39Å; Y285-C288 PolarHBondContact O-N 2.84Å; Y285-Q289 HydrophobicContact CD1-CG 3.97Å; Y285-Q289 HydrophobicContact CE1-CG 3.81Å; Y285-Q289 VanDerWaalsContact CE1-NE2 3.3Å; Y285-Q289 WeakPolarHBondContact O-CB 3.22Å; Y285-Q289 WeakPolarHBondContact O-CG 3.43Å; Y285-Q289 PolarHBondContact O-N 3.26Å; Y285-Q289 PolarHBondContact OH-NE2 3.24Å; Y285-N318 PolarHBondContact OH-OD1 3.25Å; Y285-C321 HydrophobicContact CD2-CB 3.76Å; Y285-C321 HydrophobicContact CE2-CB 3.78Å; Y285-N322 WeakPolarHBondContact CE2-OD1 3.49Å; Y285-I325 HydrophobicContact CD2-CD1 3.67Å; Y285-I325 HydrophobicContact CG-CD1 4.09Å
286	N	76.5	Confident	71.3	Confident	85 Å²	85	75.4 Å²	75.4	46%	0.455	39%	0.394	S	S	.	.	H	α-helix	trans	-66.3	-42	179	-69	-11.9	0	0	0	112.5	G282 N283 L284 Q289 E290	G282-N286 WeakPolarHBondContact O-CB 2.98Å; G282-N286 PolarHBondContact O-N 3.06Å; G282-N286 PolarHBondContact O-ND2 3.26Å; G282-N286 PolarHBondContact O-OD1 3.05Å; N283-N286 PolarHBondContact O-N 3.48Å; L284-N286 VanDerWaalsContact C-N 3.35Å; N286-Q289 CarbonylContact O-C 3.58Å; N286-Q289 WeakPolarHBondContact O-CB 3.22Å; N286-Q289 PolarHBondContact O-N 2.87Å; N286-Q289 VanDerWaalsContact O-N 3.17Å; N286-E290 WeakPolarHBondContact O-CG 3.39Å; N286-E290 PolarHBondContact O-N 3.03Å
287	L	75.9	Confident	72.9	Confident	89 Å²	89	76.5 Å²	76.5	47%	0.466	39%	0.394	S	S	.	.	H	α-helix	trans	-63.7	-42.3	175.3	-75.3	167.1	0	0	0	111.6	N283 L284 Q289 E290 F291	N283-L287 WeakPolarHBondContact O-CB 3.18Å; N283-L287 VanDerWaalsContact O-CG 3.3Å; N283-L287 WeakPolarHBondContact O-CG 3.44Å; N283-L287 PolarHBondContact O-N 2.85Å; L284-L287 PolarHBondContact O-N 3.05Å; L287-Q289 VanDerWaalsContact C-N 3.31Å; L287-Q289 PolarHBondContact O-N 2.91Å; L287-E290 PolarHBondContact O-N 2.99Å; L287-F291 WeakPolarHBondContact O-CB 3.31Å; L287-F291 PolarHBondContact O-N 2.9Å
288	C	79.9	Confident	74	Confident	25 Å²	25	78.9 Å²	78.9	17%	0.169	41%	0.407	C	S	.	.	H	α-helix	trans	-61.6	-42.2	172.3	175.8	0	0	0	0	111.2	L284 Y285 F291 L292 C321	L284-C288 VanDerWaalsContact O-CB 3.27Å; L284-C288 WeakPolarHBondContact O-CB 3.35Å; L284-C288 PolarHBondContact O-N 3.16Å; Y285-C288 PolarHBondContact O-N 2.84Å; C288-F291 PolarHBondContact O-N 3.28Å; C288-L292 WeakPolarHBondContact O-CG 3.46Å; C288-L292 PolarHBondContact O-N 3.26Å; C288-C321 HydrophobicContact CB-CB 3.85Å; C288-C321 WeakPolarHBondContact CB-SG 3.49Å; C288-C321 WeakPolarHBondContact SG-CA 3.38Å; C288-C321 WeakPolarHBondContact SG-CB 3.49Å; C288-C321 CovalentContact SG-SG 2.05Å; C288-C321 PolarHBondContact SG-SG 3.01Å
289	Q	84.9	Confident	75.4	Confident	39 Å²	39	74.1 Å²	74.1	18%	0.182	39%	0.39	C	S	.	.	H	α-helix	trans	-62.1	-44.1	176.8	-74.8	-113.9	-18.2	0	0	112.4	Y285 N286 L287 N293 K317 N318	Y285-Q289 HydrophobicContact CD1-CG 3.97Å; Y285-Q289 HydrophobicContact CE1-CG 3.81Å; Y285-Q289 VanDerWaalsContact CE1-NE2 3.3Å; Y285-Q289 WeakPolarHBondContact O-CB 3.22Å; Y285-Q289 WeakPolarHBondContact O-CG 3.43Å; Y285-Q289 PolarHBondContact O-N 3.26Å; Y285-Q289 PolarHBondContact OH-NE2 3.24Å; N286-Q289 CarbonylContact O-C 3.58Å; N286-Q289 WeakPolarHBondContact O-CB 3.22Å; N286-Q289 PolarHBondContact O-N 2.87Å; N286-Q289 VanDerWaalsContact O-N 3.17Å; L287-Q289 VanDerWaalsContact C-N 3.31Å; L287-Q289 PolarHBondContact O-N 2.91Å; Q289-N293 WeakPolarHBondContact O-CB 3.34Å; Q289-N293 PolarHBondContact O-N 3.19Å; Q289-K317 VanDerWaalsContact C-CE 3.45Å; Q289-K317 VanDerWaalsContact CB-CE 3.4Å; Q289-K317 WeakPolarHBondContact O-CE 3.49Å; Q289-K317 PolarHBondContact O-NZ 3.13Å; Q289-K317 VanDerWaalsContact O-NZ 3.09Å; Q289-N318 PolarHBondContact NE2-OD1 3.24Å
290	E	83.5	Confident	77	Confident	129 Å²	129	69.9 Å²	69.9	60%	0.603	37%	0.369	S	S	*	.	H	α-helix	trans	-65.8	-43	178.1	-76.1	179.1	175.4	0	0	111.3	N286 L287 N293 K294	N286-E290 WeakPolarHBondContact O-CG 3.39Å; N286-E290 PolarHBondContact O-N 3.03Å; L287-E290 PolarHBondContact O-N 2.99Å; E290-N293 PolarHBondContact O-N 3.34Å; E290-K294 WeakPolarHBondContact O-CB 3.29Å; E290-K294 PolarHBondContact O-N 3.39Å
291	F	83.7	Confident	78.3	Confident	149 Å²	149	71.7 Å²	71.7	65%	0.654	38%	0.377	S	S	*	.	H	α-helix	trans	-60.3	-48.9	176.1	-178.7	-94.3	0	0	0	112.1	L287 C288 N293 K294 A295	L287-F291 WeakPolarHBondContact O-CB 3.31Å; L287-F291 PolarHBondContact O-N 2.9Å; C288-F291 PolarHBondContact O-N 3.28Å; F291-N293 VanDerWaalsContact C-N 3.34Å; F291-N293 PolarHBondContact O-N 3.31Å; F291-K294 PolarHBondContact O-N 3.43Å; F291-A295 WeakPolarHBondContact O-CB 3.32Å; F291-A295 PolarHBondContact O-N 2.64Å
292	L	85.7	Confident	79.7	Confident	23 Å²	23	75.5 Å²	75.5	12%	0.12	39%	0.391	C	S	.	.	H	α-helix	trans	-67.8	-33	179.3	-70.1	179.9	0	0	0	112.7	C288 A295 Y296 I313 K317 I320	C288-L292 WeakPolarHBondContact O-CG 3.46Å; C288-L292 PolarHBondContact O-N 3.26Å; L292-A295 PolarHBondContact O-N 3.17Å; L292-Y296 WeakPolarHBondContact O-CB 3.47Å; L292-Y296 PolarHBondContact O-N 3.37Å; L292-I313 HydrophobicContact CD2-CG2 4.45Å; L292-K317 HydrophobicContact CB-CG 3.98Å; L292-K317 HydrophobicContact CD1-CB 4.38Å; L292-K317 HydrophobicContact CD1-CG 3.91Å; L292-I320 HydrophobicContact CD1-CB 4.1Å; L292-I320 HydrophobicContact CD1-CD1 4.49Å; L292-I320 HydrophobicContact CD1-CG2 3.98Å
293	N	86.8	Confident	80	Confident	72 Å²	72	77.5 Å²	77.5	39%	0.385	39%	0.392	S	S	.	.	H	α-helix	trans	-63.9	-44.6	171.4	-86.1	-5.3	0	0	0	111.5	Q289 E290 F291 A295 Y296 I297 K317	Q289-N293 WeakPolarHBondContact O-CB 3.34Å; Q289-N293 PolarHBondContact O-N 3.19Å; E290-N293 PolarHBondContact O-N 3.34Å; F291-N293 VanDerWaalsContact C-N 3.34Å; F291-N293 PolarHBondContact O-N 3.31Å; N293-A295 VanDerWaalsContact C-N 3.31Å; N293-A295 PolarHBondContact O-N 3.11Å; N293-Y296 WeakPolarHBondContact O-CB 3.31Å; N293-Y296 PolarHBondContact O-N 3.4Å; N293-I297 WeakPolarHBondContact O-CG1 3.18Å; N293-I297 PolarHBondContact O-N 2.96Å; N293-K317 PolarHBondContact ND2-NZ 3.26Å; N293-K317 WeakPolarHBondContact OD1-CE 3.21Å; N293-K317 PolarHBondContact OD1-NZ 3.05Å
294	K	84.2	Confident	79.9	Confident	151 Å²	151	80.9 Å²	80.9	66%	0.657	41%	0.409	S	S	*	.	H	α-helix	trans	-63.6	-39.8	177	-170	175.7	-179	179.7	0	111.3	E290 F291 I297 T298	E290-K294 WeakPolarHBondContact O-CB 3.29Å; E290-K294 PolarHBondContact O-N 3.39Å; F291-K294 PolarHBondContact O-N 3.43Å; K294-I297 PolarHBondContact O-N 2.66Å; K294-T298 WeakPolarHBondContact O-CB 3.22Å; K294-T298 PolarHBondContact O-N 3.14Å; K294-T298 PolarHBondContact O-OG1 3.29Å
295	A	80.9	Confident	79.6	Confident	34 Å²	34	85.8 Å²	85.8	28%	0.281	43%	0.434	S	S	.	.	H	α-helix	trans	-63	-42.5	174.1	0	0	0	0	0	112	F291 L292 N293 T298 C299	F291-A295 WeakPolarHBondContact O-CB 3.32Å; F291-A295 PolarHBondContact O-N 2.64Å; L292-A295 PolarHBondContact O-N 3.17Å; N293-A295 VanDerWaalsContact C-N 3.31Å; N293-A295 PolarHBondContact O-N 3.11Å; A295-T298 PolarHBondContact O-N 3.39Å; A295-C299 VanDerWaalsContact O-CB 3.22Å; A295-C299 WeakPolarHBondContact O-CB 3.34Å; A295-C299 PolarHBondContact O-N 2.95Å
296	Y	84.6	Confident	78.8	Confident	62 Å²	62	85.4 Å²	85.4	24%	0.243	44%	0.44	C	S	.	.	H	α-helix	trans	-59.3	-49.2	174.1	167.9	-98.5	0	0	0	112	L292 N293 T298 C299 T300 C310 K314	L292-Y296 WeakPolarHBondContact O-CB 3.47Å; L292-Y296 PolarHBondContact O-N 3.37Å; N293-Y296 WeakPolarHBondContact O-CB 3.31Å; N293-Y296 PolarHBondContact O-N 3.4Å; Y296-T298 PolarHBondContact O-N 2.99Å; Y296-C299 WeakPolarHBondContact O-CB 3.27Å; Y296-C299 PolarHBondContact O-N 2.75Å; Y296-T300 HydrophobicContact CD2-CG2 4.27Å; Y296-T300 HydrophobicContact CE1-CG2 4.22Å; Y296-T300 HydrophobicContact CE2-CG2 3.8Å; Y296-T300 WeakPolarHBondContact O-CG2 3.35Å; Y296-T300 PolarHBondContact O-N 2.83Å; Y296-T300 PolarHBondContact O-OG1 3.44Å; Y296-C310 HydrophobicContact CD2-CB 4.36Å; Y296-C310 WeakPolarHBondContact CD2-O 3.31Å; Y296-C310 HydrophobicContact CE2-CB 4.46Å; Y296-K314 HydrophobicContact CD2-CB 3.85Å; Y296-K314 HydrophobicContact CE1-CD 4.36Å; Y296-K314 HydrophobicContact CE2-CB 3.95Å; Y296-K314 HydrophobicContact CE2-CD 4.1Å; Y296-K314 HydrophobicContact CG-CB 4.39Å
297	I	85	Confident	78.2	Confident	91 Å²	91	84.7 Å²	84.7	47%	0.467	44%	0.441	S	S	.	.	H	α-helix	trans	-60.6	-46.4	179.2	-66.8	166	0	0	0	110.6	N293 K294 C299 T300 I301	N293-I297 WeakPolarHBondContact O-CG1 3.18Å; N293-I297 PolarHBondContact O-N 2.96Å; K294-I297 PolarHBondContact O-N 2.66Å; I297-C299 VanDerWaalsContact C-N 3.33Å; I297-C299 PolarHBondContact O-N 2.72Å; I297-T300 WeakPolarHBondContact CA-OG1 3.33Å; I297-T300 PolarHBondContact O-N 3.37Å; I297-T300 PolarHBondContact O-OG1 2.62Å; I297-I301 HydrophobicContact CG2-CD1 3.69Å; I297-I301 HydrophobicContact CG2-CG1 4.49Å; I297-I301 VanDerWaalsContact O-CG1 3.27Å; I297-I301 WeakPolarHBondContact O-CG1 3.37Å; I297-I301 PolarHBondContact O-N 2.69Å
298	T	80.9	Confident	77.9	Confident	72 Å²	72	88.9 Å²	88.9	44%	0.442	46%	0.456	S	S	.	.	H	α-helix	trans	-62.5	-42	178.6	-49.2	0	0	0	0	111	K294 A295 Y296 T300 I301 E302	K294-T298 WeakPolarHBondContact O-CB 3.22Å; K294-T298 PolarHBondContact O-N 3.14Å; K294-T298 PolarHBondContact O-OG1 3.29Å; A295-T298 PolarHBondContact O-N 3.39Å; Y296-T298 PolarHBondContact O-N 2.99Å; T298-T300 PolarHBondContact O-N 3.12Å; T298-I301 PolarHBondContact O-N 2.9Å; T298-E302 HydrophobicContact CG2-CG 4.48Å; T298-E302 WeakPolarHBondContact O-CG 3.12Å; T298-E302 PolarHBondContact O-N 3.24Å
299	C	80.3	Confident	77.6	Confident	28 Å²	28	91.9 Å²	91.9	19%	0.189	47%	0.474	C	S	.	.	H	α-helix	trans	-61	-44.4	175.6	-174.1	0	0	0	0	111.9	A295 Y296 I297 I301 E302 L303 C310 I313	A295-C299 VanDerWaalsContact O-CB 3.22Å; A295-C299 WeakPolarHBondContact O-CB 3.34Å; A295-C299 PolarHBondContact O-N 2.95Å; Y296-C299 WeakPolarHBondContact O-CB 3.27Å; Y296-C299 PolarHBondContact O-N 2.75Å; I297-C299 VanDerWaalsContact C-N 3.33Å; I297-C299 PolarHBondContact O-N 2.72Å; C299-I301 VanDerWaalsContact C-N 3.32Å; C299-I301 PolarHBondContact O-N 3.35Å; C299-E302 PolarHBondContact O-N 3.43Å; C299-L303 WeakPolarHBondContact O-CB 3.25Å; C299-L303 PolarHBondContact O-N 3.46Å; C299-C310 HydrophobicContact CB-CB 3.83Å; C299-C310 WeakPolarHBondContact CB-SG 3.44Å; C299-C310 PolarHBondContact O-SG 2.87Å; C299-C310 VanDerWaalsContact O-SG 3.33Å; C299-C310 WeakPolarHBondContact SG-CB 3.39Å; C299-C310 CovalentContact SG-SG 2.04Å; C299-C310 PolarHBondContact SG-SG 3.23Å; C299-I313 HydrophobicContact CB-CD1 4.25Å
300	T	82.8	Confident	77.2	Confident	43 Å²	43	90 Å²	90	26%	0.264	47%	0.465	S	S	.	.	H	α-helix	trans	-68.1	-29.7	179.3	50.7	0	0	0	0	113.6	Y296 I297 T298 C310	Y296-T300 HydrophobicContact CD2-CG2 4.27Å; Y296-T300 HydrophobicContact CE1-CG2 4.22Å; Y296-T300 HydrophobicContact CE2-CG2 3.8Å; Y296-T300 WeakPolarHBondContact O-CG2 3.35Å; Y296-T300 PolarHBondContact O-N 2.83Å; Y296-T300 PolarHBondContact O-OG1 3.44Å; I297-T300 WeakPolarHBondContact CA-OG1 3.33Å; I297-T300 PolarHBondContact O-N 3.37Å; I297-T300 PolarHBondContact O-OG1 2.62Å; T298-T300 PolarHBondContact O-N 3.12Å; T300-C310 HydrophobicContact CG2-CB 3.96Å
301	I	82.2	Confident	77.1	Confident	112 Å²	112	88.6 Å²	88.6	57%	0.574	46%	0.458	S	S	*	.	H	α-helix	trans	-75.7	-41.2	177.6	-68.8	166.4	0	0	0	110.8	I297 T298 C299	I297-I301 HydrophobicContact CG2-CD1 3.69Å; I297-I301 HydrophobicContact CG2-CG1 4.49Å; I297-I301 VanDerWaalsContact O-CG1 3.27Å; I297-I301 WeakPolarHBondContact O-CG1 3.37Å; I297-I301 PolarHBondContact O-N 2.69Å; T298-I301 PolarHBondContact O-N 2.9Å; C299-I301 VanDerWaalsContact C-N 3.32Å; C299-I301 PolarHBondContact O-N 3.35Å
302	E	83.2	Confident	77	Confident	148 Å²	148	88.6 Å²	88.6	69%	0.692	46%	0.455	S	S	*	.	H	α-helix	trans	-80.8	-28.3	-176.8	-68.9	-70.3	169.6	0	0	113.2	T298 C299	T298-E302 HydrophobicContact CG2-CG 4.48Å; T298-E302 WeakPolarHBondContact O-CG 3.12Å; T298-E302 PolarHBondContact O-N 3.24Å; C299-E302 PolarHBondContact O-N 3.43Å
303	L	70.3	Confident	76.8	Confident	82 Å²	82	89.5 Å²	89.5	43%	0.429	46%	0.46	S	S	.	.			trans	-110.2	51.7	-175.9	-67.5	173.6	0	0	0	112.9	C299 I305 S306	C299-L303 WeakPolarHBondContact O-CB 3.25Å; C299-L303 PolarHBondContact O-N 3.46Å; L303-I305 PolarHBondContact O-N 3Å; L303-S306 PolarHBondContact O-N 3.26Å
304	D	66.1	Low	76.6	Confident	144 Å²	144	91.9 Å²	91.9	77%	0.77	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-34.6	-31.2	-178.9	-99	-17.2	0	0	0	116.2
305	I	61.6	Low	76.6	Confident	169 Å²	169	90.8 Å²	90.8	87%	0.867	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	-22.8	-175	-60.6	169.6	0	0	0	113.8	L303	L303-I305 PolarHBondContact O-N 3Å
306	S	56.9	Low	76.8	Confident	47 Å²	47	90.9 Å²	90.9	33%	0.329	46%	0.463	S	S	.	.			trans	-109.3	31.6	-176.1	95.6	0	0	0	0	113.7	L303 K308 T309	L303-S306 PolarHBondContact O-N 3.26Å; S306-K308 PolarHBondContact O-N 3.15Å; S306-T309 PolarHBondContact O-N 3.35Å; S306-T309 PolarHBondContact O-OG1 2.89Å; S306-T309 PolarHBondContact OG-OG1 3.31Å
307	S	62.4	Low	76.8	Confident	70 Å²	70	88.8 Å²	88.8	49%	0.49	46%	0.455	S	S	.	.	H	α-helix	trans	-47.8	-28.4	-177.1	61.5	0	0	0	0	115.4	T309 C310 E311	S307-T309 VanDerWaalsContact C-N 3.32Å; S307-T309 PolarHBondContact O-N 3.27Å; S307-C310 PolarHBondContact O-N 3.19Å; S307-E311 PolarHBondContact O-N 3.41Å
308	K	69.9	Low	76.8	Confident	176 Å²	176	88.5 Å²	88.5	77%	0.765	46%	0.455	S	S	*	.	H	α-helix	trans	-58.8	-34.1	172.9	-74.6	-176.4	178.5	178.5	0	114.1	S306 E311	S306-K308 PolarHBondContact O-N 3.15Å; K308-E311 WeakPolarHBondContact O-CB 3.36Å; K308-E311 PolarHBondContact O-N 3.46Å
309	T	73.4	Confident	76.9	Confident	89 Å²	89	91.7 Å²	91.7	55%	0.546	47%	0.465	S	S	.	.	H	α-helix	trans	-70.9	-33.5	177.1	47.9	0	0	0	0	111.8	S306 S307 E311 Y312	S306-T309 PolarHBondContact O-N 3.35Å; S306-T309 PolarHBondContact O-OG1 2.89Å; S306-T309 PolarHBondContact OG-OG1 3.31Å; S307-T309 VanDerWaalsContact C-N 3.32Å; S307-T309 PolarHBondContact O-N 3.27Å; T309-E311 VanDerWaalsContact C-N 3.26Å; T309-E311 PolarHBondContact O-N 2.9Å; T309-Y312 WeakPolarHBondContact O-CB 3.37Å; T309-Y312 PolarHBondContact O-N 3.46Å
310	C	77.1	Confident	77	Confident	0 Å²	0	93.2 Å²	93.2	0%	0	47%	0.47	C	S	.	.	H	α-helix	trans	-69.5	-26.3	175.8	-58.6	0	0	0	0	112	Y296 C299 T300 S307 Y312 I313	Y296-C310 HydrophobicContact CD2-CB 4.36Å; Y296-C310 WeakPolarHBondContact CD2-O 3.31Å; Y296-C310 HydrophobicContact CE2-CB 4.46Å; C299-C310 HydrophobicContact CB-CB 3.83Å; C299-C310 WeakPolarHBondContact CB-SG 3.44Å; C299-C310 PolarHBondContact O-SG 2.87Å; C299-C310 VanDerWaalsContact O-SG 3.33Å; C299-C310 WeakPolarHBondContact SG-CB 3.39Å; C299-C310 CovalentContact SG-SG 2.04Å; C299-C310 PolarHBondContact SG-SG 3.23Å; T300-C310 HydrophobicContact CG2-CB 3.96Å; S307-C310 PolarHBondContact O-N 3.19Å; C310-Y312 PolarHBondContact O-N 3.37Å; C310-I313 WeakPolarHBondContact O-CB 3.24Å; C310-I313 PolarHBondContact O-N 3.22Å
311	E	81.9	Confident	76.9	Confident	99 Å²	99	91.1 Å²	91.1	46%	0.463	46%	0.457	S	S	.	.	H	α-helix	trans	-60.5	-28	178.1	-159.2	167.5	-162.2	0	0	112.8	S307 K308 T309 I313 K314 L315	S307-E311 PolarHBondContact O-N 3.41Å; K308-E311 WeakPolarHBondContact O-CB 3.36Å; K308-E311 PolarHBondContact O-N 3.46Å; T309-E311 VanDerWaalsContact C-N 3.26Å; T309-E311 PolarHBondContact O-N 2.9Å; E311-I313 VanDerWaalsContact C-N 3.28Å; E311-I313 PolarHBondContact O-N 3.11Å; E311-K314 PolarHBondContact O-N 3.41Å; E311-K314 VanDerWaalsContact O-N 3.11Å; E311-L315 HydrophobicContact CG-CD1 4.33Å; E311-L315 HydrophobicContact CG-CG 4.46Å; E311-L315 WeakPolarHBondContact O-CG 3.49Å; E311-L315 PolarHBondContact O-N 2.9Å
312	Y	81.9	Confident	76.9	Confident	148 Å²	148	90 Å²	90	58%	0.58	45%	0.453	S	S	*	.	H	α-helix	trans	-56.8	-39.5	172.2	-177.2	-98.8	0	0	0	112.5	T309 C310 K314 L315 N316	T309-Y312 WeakPolarHBondContact O-CB 3.37Å; T309-Y312 PolarHBondContact O-N 3.46Å; C310-Y312 PolarHBondContact O-N 3.37Å; Y312-K314 VanDerWaalsContact C-N 3.3Å; Y312-K314 PolarHBondContact O-N 3.07Å; Y312-L315 PolarHBondContact O-N 2.76Å; Y312-N316 WeakPolarHBondContact CE2-ND2 3.18Å; Y312-N316 WeakPolarHBondContact O-CB 3.2Å; Y312-N316 PolarHBondContact O-N 3.03Å; Y312-N316 PolarHBondContact O-OD1 3.32Å; Y312-N316 PolarHBondContact OH-ND2 3.46Å
313	I	79.6	Confident	76.6	Confident	43 Å²	43	85.8 Å²	85.8	22%	0.221	44%	0.439	C	S	.	.	H	α-helix	trans	-63.9	-39.6	178.7	-57.9	174.4	0	0	0	110.2	L292 C299 C310 E311 K317	L292-I313 HydrophobicContact CD2-CG2 4.45Å; C299-I313 HydrophobicContact CB-CD1 4.25Å; C310-I313 WeakPolarHBondContact O-CB 3.24Å; C310-I313 PolarHBondContact O-N 3.22Å; E311-I313 VanDerWaalsContact C-N 3.28Å; E311-I313 PolarHBondContact O-N 3.11Å; I313-K317 WeakPolarHBondContact O-CB 3.35Å; I313-K317 PolarHBondContact O-N 2.94Å
314	K	84.4	Confident	76.8	Confident	121 Å²	121	86.2 Å²	86.2	53%	0.526	44%	0.441	S	S	.	.	H	α-helix	trans	-72.4	-44.5	179.6	-175	177	177.2	-175.6	0	112	Y296 E311 Y312	Y296-K314 HydrophobicContact CD2-CB 3.85Å; Y296-K314 HydrophobicContact CE1-CD 4.36Å; Y296-K314 HydrophobicContact CE2-CB 3.95Å; Y296-K314 HydrophobicContact CE2-CD 4.1Å; Y296-K314 HydrophobicContact CG-CB 4.39Å; E311-K314 PolarHBondContact O-N 3.41Å; E311-K314 VanDerWaalsContact O-N 3.11Å; Y312-K314 VanDerWaalsContact C-N 3.3Å; Y312-K314 PolarHBondContact O-N 3.07Å
315	L	84	Confident	77.1	Confident	129 Å²	129	80.5 Å²	80.5	68%	0.675	41%	0.41	S	S	*	.	H	α-helix	trans	-64.7	-43.4	179.4	-73.4	170.3	0	0	0	112	E311 Y312	E311-L315 HydrophobicContact CG-CD1 4.33Å; E311-L315 HydrophobicContact CG-CG 4.46Å; E311-L315 WeakPolarHBondContact O-CG 3.49Å; E311-L315 PolarHBondContact O-N 2.9Å; Y312-L315 PolarHBondContact O-N 2.76Å
316	N	85.1	Confident	77.6	Confident	36 Å²	36	78.8 Å²	78.8	19%	0.193	40%	0.398	C	S	.	.	H	α-helix	trans	-92.7	-1.5	-172.4	-68.9	47.7	0	0	0	113.9	Y312 N318 Q319 I320	Y312-N316 WeakPolarHBondContact CE2-ND2 3.18Å; Y312-N316 WeakPolarHBondContact O-CB 3.2Å; Y312-N316 PolarHBondContact O-N 3.03Å; Y312-N316 PolarHBondContact O-OD1 3.32Å; Y312-N316 PolarHBondContact OH-ND2 3.46Å; N316-N318 PolarHBondContact O-N 3.35Å; N316-Q319 PolarHBondContact O-N 3.43Å; N316-Q319 VanDerWaalsContact O-N 3.08Å; N316-I320 HydrophobicContact CB-CD1 4.06Å; N316-I320 HydrophobicContact CB-CG1 4.39Å; N316-I320 WeakPolarHBondContact O-CG1 3.01Å; N316-I320 PolarHBondContact O-N 3.43Å
317	K	83.7	Confident	78	Confident	17 Å²	17	83.2 Å²	83.2	7%	0.074	41%	0.414	C	S	.	.	H	α-helix	trans	-45	-53.1	-178.1	-176.3	-171.6	-178.9	-170.7	0	114	Q289 L292 N293 I313 Q319 I320 C321	Q289-K317 VanDerWaalsContact C-CE 3.45Å; Q289-K317 VanDerWaalsContact CB-CE 3.4Å; Q289-K317 WeakPolarHBondContact O-CE 3.49Å; Q289-K317 PolarHBondContact O-NZ 3.13Å; Q289-K317 VanDerWaalsContact O-NZ 3.09Å; L292-K317 HydrophobicContact CB-CG 3.98Å; L292-K317 HydrophobicContact CD1-CB 4.38Å; L292-K317 HydrophobicContact CD1-CG 3.91Å; N293-K317 PolarHBondContact ND2-NZ 3.26Å; N293-K317 WeakPolarHBondContact OD1-CE 3.21Å; N293-K317 PolarHBondContact OD1-NZ 3.05Å; I313-K317 WeakPolarHBondContact O-CB 3.35Å; I313-K317 PolarHBondContact O-N 2.94Å; K317-Q319 VanDerWaalsContact C-N 3.34Å; K317-Q319 PolarHBondContact O-N 3.38Å; K317-I320 PolarHBondContact O-N 2.86Å; K317-C321 PolarHBondContact O-N 2.78Å; K317-C321 VanDerWaalsContact O-N 3.07Å; K317-C321 PolarHBondContact O-SG 3.37Å
318	N	84.2	Confident	77.9	Confident	86 Å²	86	81.9 Å²	81.9	46%	0.46	41%	0.405	S	S	.	.	H	α-helix	trans	-65.8	-39.5	-176.3	-65.5	-11.1	0	0	0	111.5	Y285 Q289 N316 N322	Y285-N318 PolarHBondContact OH-OD1 3.25Å; Q289-N318 PolarHBondContact NE2-OD1 3.24Å; N316-N318 PolarHBondContact O-N 3.35Å; N318-N322 WeakPolarHBondContact O-CB 3.42Å; N318-N322 PolarHBondContact O-N 3.48Å
319	Q	84.3	Confident	77.5	Confident	139 Å²	139	75.3 Å²	75.3	65%	0.65	38%	0.38	S	S	*	.	H	α-helix	trans	-68.6	-42.7	-180	-166.5	179.3	7.1	0	0	111.3	N316 K317 N322 S323	N316-Q319 PolarHBondContact O-N 3.43Å; N316-Q319 VanDerWaalsContact O-N 3.08Å; K317-Q319 VanDerWaalsContact C-N 3.34Å; K317-Q319 PolarHBondContact O-N 3.38Å; Q319-N322 PolarHBondContact O-N 3.44Å; Q319-S323 WeakPolarHBondContact O-CB 3.5Å; Q319-S323 PolarHBondContact O-N 2.72Å; Q319-S323 PolarHBondContact O-OG 3.05Å
320	I	81.5	Confident	76.8	Confident	59 Å²	59	76 Å²	76	30%	0.303	38%	0.379	S	S	.	.	H	α-helix	trans	-60.2	-52.3	176.7	-66.3	166.3	0	0	0	109.9	L292 N316 K317 N322 S323 I324	L292-I320 HydrophobicContact CD1-CB 4.1Å; L292-I320 HydrophobicContact CD1-CD1 4.49Å; L292-I320 HydrophobicContact CD1-CG2 3.98Å; N316-I320 HydrophobicContact CB-CD1 4.06Å; N316-I320 HydrophobicContact CB-CG1 4.39Å; N316-I320 WeakPolarHBondContact O-CG1 3.01Å; N316-I320 PolarHBondContact O-N 3.43Å; K317-I320 PolarHBondContact O-N 2.86Å; I320-N322 PolarHBondContact O-N 3.2Å; I320-S323 PolarHBondContact O-N 2.77Å; I320-S323 PolarHBondContact O-OG 3.37Å; I320-I324 HydrophobicContact CG2-CD1 3.94Å; I320-I324 WeakPolarHBondContact O-CG1 3.47Å; I320-I324 PolarHBondContact O-N 2.92Å
321	C	82.1	Confident	75.8	Confident	0 Å²	0	83.6 Å²	83.6	0%	0	41%	0.413	C	S	.	.	H	α-helix	trans	-63.3	-39.6	-178.7	-65.3	0	0	0	0	112.9	Y285 C288 K317 S323 I324 I325	Y285-C321 HydrophobicContact CD2-CB 3.76Å; Y285-C321 HydrophobicContact CE2-CB 3.78Å; C288-C321 HydrophobicContact CB-CB 3.85Å; C288-C321 WeakPolarHBondContact CB-SG 3.49Å; C288-C321 WeakPolarHBondContact SG-CA 3.38Å; C288-C321 WeakPolarHBondContact SG-CB 3.49Å; C288-C321 CovalentContact SG-SG 2.05Å; C288-C321 PolarHBondContact SG-SG 3.01Å; K317-C321 PolarHBondContact O-N 2.78Å; K317-C321 VanDerWaalsContact O-N 3.07Å; K317-C321 PolarHBondContact O-SG 3.37Å; C321-S323 PolarHBondContact O-N 3.12Å; C321-I324 PolarHBondContact O-N 3.18Å; C321-I325 WeakPolarHBondContact O-CD1 3.4Å; C321-I325 VanDerWaalsContact O-CG1 3.28Å; C321-I325 WeakPolarHBondContact O-CG1 3.42Å; C321-I325 PolarHBondContact O-N 3.08Å
322	N	80.9	Confident	74.7	Confident	89 Å²	89	80.2 Å²	80.2	48%	0.476	40%	0.4	S	S	.	.	H	α-helix	trans	-63.1	-41.6	175.5	-79.6	-11.3	0	0	0	112.4	Y285 N318 Q319 I320 I324 I325 Q326	Y285-N322 WeakPolarHBondContact CE2-OD1 3.49Å; N318-N322 WeakPolarHBondContact O-CB 3.42Å; N318-N322 PolarHBondContact O-N 3.48Å; Q319-N322 PolarHBondContact O-N 3.44Å; I320-N322 PolarHBondContact O-N 3.2Å; N322-I324 PolarHBondContact O-N 3.03Å; N322-I325 PolarHBondContact O-N 2.99Å; N322-Q326 WeakPolarHBondContact O-CB 3.5Å; N322-Q326 PolarHBondContact O-N 3.46Å
323	S	78.1	Confident	73.5	Confident	58 Å²	58	78.1 Å²	78.1	41%	0.406	40%	0.399	S	S	.	.	H	α-helix	trans	-63.7	-39.2	-179.9	71.9	0	0	0	0	113	Q319 I320 C321 Q327	Q319-S323 WeakPolarHBondContact O-CB 3.5Å; Q319-S323 PolarHBondContact O-N 2.72Å; Q319-S323 PolarHBondContact O-OG 3.05Å; I320-S323 PolarHBondContact O-N 2.77Å; I320-S323 PolarHBondContact O-OG 3.37Å; C321-S323 PolarHBondContact O-N 3.12Å; S323-Q327 PolarHBondContact O-N 3.39Å
324	I	73.9	Confident	72.3	Confident	92 Å²	92	81.8 Å²	81.8	47%	0.472	42%	0.415	S	S	.	.	H	α-helix	trans	-65.9	-44.8	178.3	-67.6	168.2	0	0	0	110.3	I320 C321 N322 Q327 S328	I320-I324 HydrophobicContact CG2-CD1 3.94Å; I320-I324 WeakPolarHBondContact O-CG1 3.47Å; I320-I324 PolarHBondContact O-N 2.92Å; C321-I324 PolarHBondContact O-N 3.18Å; N322-I324 PolarHBondContact O-N 3.03Å; I324-Q327 PolarHBondContact O-N 3.29Å; I324-S328 PolarHBondContact O-N 3.47Å
325	I	72.8	Confident	70.9	Confident	24 Å²	24	82.5 Å²	82.5	12%	0.123	42%	0.415	C	S	.	.	H	α-helix	trans	-65.4	-42.1	-179.1	-67.1	166.4	0	0	0	111	T281 Y285 C321 N322 Q327 S328 T329	T281-I325 HydrophobicContact CG2-CG2 4.19Å; Y285-I325 HydrophobicContact CD2-CD1 3.67Å; Y285-I325 HydrophobicContact CG-CD1 4.09Å; C321-I325 WeakPolarHBondContact O-CD1 3.4Å; C321-I325 VanDerWaalsContact O-CG1 3.28Å; C321-I325 WeakPolarHBondContact O-CG1 3.42Å; C321-I325 PolarHBondContact O-N 3.08Å; N322-I325 PolarHBondContact O-N 2.99Å; I325-Q327 VanDerWaalsContact C-N 3.28Å; I325-Q327 PolarHBondContact O-N 3.18Å; I325-S328 WeakPolarHBondContact CA-OG 3.23Å; I325-S328 PolarHBondContact O-N 2.86Å; I325-S328 VanDerWaalsContact O-N 3.12Å; I325-S328 PolarHBondContact O-OG 3.29Å; I325-T329 HydrophobicContact CG2-CG2 4.31Å; I325-T329 WeakPolarHBondContact O-CG2 3.44Å; I325-T329 PolarHBondContact O-N 3.29Å; I325-T329 PolarHBondContact O-OG1 3Å
326	Q	70.8	Confident	69.4	Low	132 Å²	132	80.2 Å²	80.2	62%	0.617	40%	0.403	S	S	*	.	H	α-helix	trans	-64.9	-33.1	-179.6	-158.2	176.1	7.4	0	0	112.2	N322 T329 N330	N322-Q326 WeakPolarHBondContact O-CB 3.5Å; N322-Q326 PolarHBondContact O-N 3.46Å; Q326-T329 PolarHBondContact O-OG1 3.25Å; Q326-N330 VanDerWaalsContact O-CG 3.27Å; Q326-N330 PolarHBondContact O-N 2.97Å; Q326-N330 PolarHBondContact O-OD1 3.44Å
327	Q	65.4	Low	67.8	Low	140 Å²	140	86.6 Å²	86.6	65%	0.654	43%	0.432	S	S	*	.	H	α-helix	trans	-72.4	-36	172.3	-72.4	-173.1	4.7	0	0	112.8	S323 I324 I325 K331	S323-Q327 PolarHBondContact O-N 3.39Å; I324-Q327 PolarHBondContact O-N 3.29Å; I325-Q327 VanDerWaalsContact C-N 3.28Å; I325-Q327 PolarHBondContact O-N 3.18Å; Q327-K331 PolarHBondContact O-N 2.85Å
328	S	60.5	Low	66.3	Low	42 Å²	42	89.1 Å²	89.1	29%	0.294	45%	0.446	S	S	.	.	H	α-helix	trans	-69.2	-38.7	177.7	65.9	0	0	0	0	112	I324 I325 K331 C332	I324-S328 PolarHBondContact O-N 3.47Å; I325-S328 WeakPolarHBondContact CA-OG 3.23Å; I325-S328 PolarHBondContact O-N 2.86Å; I325-S328 VanDerWaalsContact O-N 3.12Å; I325-S328 PolarHBondContact O-OG 3.29Å; S328-K331 PolarHBondContact O-N 3.38Å; S328-C332 PolarHBondContact O-N 3.22Å; S328-C332 PolarHBondContact O-SG 2.92Å; S328-C332 VanDerWaalsContact O-SG 3.34Å
329	T	61.5	Low	64.8	Low	39 Å²	39	87.2 Å²	87.2	24%	0.239	43%	0.432	C	S	.	.	H	α-helix	trans	-64.7	-45.3	178.2	52.1	0	0	0	0	111.7	T281 I325 Q326 K331 C332 D333	T281-T329 HydrophobicContact CG2-CG2 4.34Å; I325-T329 HydrophobicContact CG2-CG2 4.31Å; I325-T329 WeakPolarHBondContact O-CG2 3.44Å; I325-T329 PolarHBondContact O-N 3.29Å; I325-T329 PolarHBondContact O-OG1 3Å; Q326-T329 PolarHBondContact O-OG1 3.25Å; T329-K331 VanDerWaalsContact C-N 3.29Å; T329-K331 PolarHBondContact O-N 3.22Å; T329-C332 WeakPolarHBondContact O-CA 3.44Å; T329-C332 WeakPolarHBondContact O-CB 3.35Å; T329-C332 PolarHBondContact O-N 3.44Å; T329-D333 PolarHBondContact O-N 3.21Å
330	N	58.4	Low	63.3	Low	102 Å²	102	87.5 Å²	87.5	55%	0.545	44%	0.437	S	S	.	.	H	α-helix	trans	-63.1	-33	-178.9	-69	3.5	0	0	0	113.2	Q326 H334	Q326-N330 VanDerWaalsContact O-CG 3.27Å; Q326-N330 PolarHBondContact O-N 2.97Å; Q326-N330 PolarHBondContact O-OD1 3.44Å; N330-H334 PolarHBondContact O-N 3.21Å
331	K	56.3	Low	61.8	Low	160 Å²	160	91 Å²	91	70%	0.696	46%	0.457	S	S	*	.	H	α-helix	trans	-74.5	-26.7	173.9	-76.3	-178	178.6	177.6	0	112.8	Q327 S328 T329 Y335	Q327-K331 PolarHBondContact O-N 2.85Å; S328-K331 PolarHBondContact O-N 3.38Å; T329-K331 VanDerWaalsContact C-N 3.29Å; T329-K331 PolarHBondContact O-N 3.22Å; K331-Y335 PolarHBondContact O-N 3.19Å
332	C	60.3	Low	60.5	Low	29 Å²	29	97.5 Å²	97.5	20%	0.196	49%	0.487	C	S	.	.	H	α-helix	trans	-75.4	-36.7	175.8	-73.2	0	0	0	0	112.3	C277 S328 T329 H334 Y335 D336	C277-C332 HydrophobicContact CB-CB 3.89Å; C277-C332 WeakPolarHBondContact CB-SG 3.28Å; C277-C332 WeakPolarHBondContact SG-CB 3.19Å; C277-C332 CovalentContact SG-SG 2Å; C277-C332 PolarHBondContact SG-SG 3.01Å; S328-C332 PolarHBondContact O-N 3.22Å; S328-C332 PolarHBondContact O-SG 2.92Å; S328-C332 VanDerWaalsContact O-SG 3.34Å; T329-C332 WeakPolarHBondContact O-CA 3.44Å; T329-C332 WeakPolarHBondContact O-CB 3.35Å; T329-C332 PolarHBondContact O-N 3.44Å; C332-H334 VanDerWaalsContact C-N 3.35Å; C332-H334 PolarHBondContact O-N 3.29Å; C332-Y335 PolarHBondContact O-N 2.97Å; C332-D336 PolarHBondContact O-N 3.45Å; C332-D336 VanDerWaalsContact O-N 3.15Å
333	D	56	Low	59.2	Low	104 Å²	104	99.8 Å²	99.8	56%	0.556	49%	0.493	S	S	*	.	H	α-helix	trans	-64.5	-38.6	174.5	-65.2	-22.8	0	0	0	112	T329 Y335 D336 E337	T329-D333 PolarHBondContact O-N 3.21Å; D333-Y335 VanDerWaalsContact C-N 3.26Å; D333-Y335 PolarHBondContact O-N 3.48Å; D333-D336 PolarHBondContact O-N 3.25Å; D333-E337 PolarHBondContact O-N 3.45Å
334	H	54.1	Low	58.1	Low	120 Å²	120	100.2 Å²	100.2	56%	0.556	49%	0.49	S	S	*	.	H	α-helix	trans	-65.6	-28.3	176.7	-170.2	57.6	0	0	0	113.1	N330 C332	N330-H334 PolarHBondContact O-N 3.21Å; C332-H334 VanDerWaalsContact C-N 3.35Å; C332-H334 PolarHBondContact O-N 3.29Å
335	Y	54.4	Low	57.4	Low	135 Å²	135	100.6 Å²	100.6	53%	0.529	50%	0.497	S	S	.	.	H	α-helix	trans	-79.8	-32	176.4	-122	-88.9	0	0	0	112.1	K331 C332 D333 E337 I338 R339	K331-Y335 PolarHBondContact O-N 3.19Å; C332-Y335 PolarHBondContact O-N 2.97Å; D333-Y335 VanDerWaalsContact C-N 3.26Å; D333-Y335 PolarHBondContact O-N 3.48Å; Y335-E337 VanDerWaalsContact C-N 3.3Å; Y335-E337 PolarHBondContact O-N 3.3Å; Y335-I338 PolarHBondContact O-N 3.48Å; Y335-I338 VanDerWaalsContact O-N 3.14Å; Y335-R339 WeakPolarHBondContact O-CB 3.26Å; Y335-R339 PolarHBondContact O-N 3.43Å
336	D	52.6	Low	57.1	Low	81 Å²	81	103 Å²	103	43%	0.433	51%	0.513	S	S	.	.	H	α-helix	trans	-64.8	-33.5	177.3	-88.6	0.7	0	0	0	112.1	C332 D333 I338 R339	C332-D336 PolarHBondContact O-N 3.45Å; C332-D336 VanDerWaalsContact O-N 3.15Å; D333-D336 PolarHBondContact O-N 3.25Å; D336-I338 PolarHBondContact O-N 2.94Å; D336-R339 PolarHBondContact O-N 2.97Å; D336-R339 VanDerWaalsContact O-N 3.16Å
337	E	51.5	Low	56.9	Low	170 Å²	170	102 Å²	102	79%	0.794	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-26.6	174.7	-159.3	175.6	-167.7	0	0	112.5	D333 Y335	D333-E337 PolarHBondContact O-N 3.45Å; Y335-E337 VanDerWaalsContact C-N 3.3Å; Y335-E337 PolarHBondContact O-N 3.3Å
338	I	53.2	Low	57.2	Low	71 Å²	71	100.9 Å²	100.9	36%	0.364	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-19.9	-179.7	-62.2	170.6	0	0	0	111.9	Y335 D336 F343	Y335-I338 PolarHBondContact O-N 3.48Å; Y335-I338 VanDerWaalsContact O-N 3.14Å; D336-I338 PolarHBondContact O-N 2.94Å; I338-F343 HydrophobicContact CG2-CD2 4.35Å; I338-F343 HydrophobicContact CG2-CE2 3.8Å
339	R	52.5	Low	57.9	Low	45 Å²	45	105.3 Å²	105.3	17%	0.17	51%	0.514	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	13.2	-147.1	-146.8	-157.2	146	130.8	-1	119.9	I266 E270 Y335 D336	I266-R339 PolarHBondContact O-NH2 2.84Å; I266-R339 VanDerWaalsContact O-NH2 3.09Å; E270-R339 VanDerWaalsContact CD-NH2 3.29Å; E270-R339 IonicContact OE1-CZ 2.77Å; E270-R339 IonicContact OE1-NE 3.21Å; E270-R339 PolarHBondContact OE1-NE 3.1Å; E270-R339 IonicContact OE1-NH2 3.97Å; E270-R339 PolarHBondContact OE1-NH2 3.47Å; Y335-R339 WeakPolarHBondContact O-CB 3.26Å; Y335-R339 PolarHBondContact O-N 3.43Å; D336-R339 PolarHBondContact O-N 2.97Å; D336-R339 VanDerWaalsContact O-N 3.16Å
340	L	52	Low	58.7	Low	145 Å²	145	106.8 Å²	106.8	76%	0.759	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.6	-21.3	175.5	-73.5	171.9	0	0	0	118.6
341	N	51.1	Low	59.6	Low	134 Å²	134	104.6 Å²	104.6	72%	0.717	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121	-17.1	-179.7	-71.6	-21.8	0	0	0	116
342	H	54.1	Low	60.8	Low	135 Å²	135	99.7 Å²	99.7	63%	0.625	49%	0.493	S	S	*	.	I	π-helix	trans	-85	-38.7	-171.8	-95.5	79.1	0	0	0	115.1	T346	H342-T346 WeakPolarHBondContact O-CB 3.49Å; H342-T346 PolarHBondContact O-OG1 3.44Å
343	F	54	Low	61.8	Low	138 Å²	138	101.8 Å²	101.8	61%	0.605	50%	0.502	S	S	*	.	I	π-helix	trans	-75.4	-35.5	-172.4	-89.3	-80.5	0	0	0	114.5	I338	I338-F343 HydrophobicContact CG2-CD2 4.35Å; I338-F343 HydrophobicContact CG2-CE2 3.8Å
344	N	54.3	Low	63.1	Low	66 Å²	66	101.3 Å²	101.3	35%	0.353	50%	0.496	S	S	.	.	I	π-helix	trans	-87.5	-40	-171.8	-83	-20.9	0	0	0	114.4
345	V	60.8	Low	64.3	Low	101 Å²	101	96.3 Å²	96.3	61%	0.612	47%	0.474	S	S	*	.	I	π-helix	trans	-90.5	-45.7	-174	-178.6	0	0	0	0	111.3	K349	V345-K349 WeakPolarHBondContact O-CB 3.25Å; V345-K349 PolarHBondContact O-N 3.33Å
346	T	65.9	Low	65.6	Low	75 Å²	75	94.3 Å²	94.3	46%	0.46	47%	0.469	S	S	.	.	I	π-helix	trans	-69.6	-44.5	-172.1	-43.2	0	0	0	0	112.3	H342 K349 S350	H342-T346 WeakPolarHBondContact O-CB 3.49Å; H342-T346 PolarHBondContact O-OG1 3.44Å; T346-K349 PolarHBondContact O-N 3.48Å; T346-S350 WeakPolarHBondContact O-CB 3.33Å; T346-S350 PolarHBondContact O-N 2.77Å
347	F	65.6	Low	67.1	Low	111 Å²	111	96.2 Å²	96.2	49%	0.487	47%	0.473	S	S	.	.	H	α-helix	trans	-66.8	-45.1	-178.5	-170.7	-95	0	0	0	112.3	M259 K349 S350 F351	M259-F347 HydrophobicContact CE-CB 4.31Å; M259-F347 HydrophobicContact CE-CD1 3.8Å; M259-F347 HydrophobicContact CE-CG 4.46Å; M259-F347 HydrophobicContact CG-CD1 4.21Å; M259-F347 HydrophobicContact CG-CE1 4.29Å; M259-F347 HydrophobicContact SD-CD1 3.37Å; M259-F347 WeakPolarHBondContact SD-CD1 3.48Å; M259-F347 HydrophobicContact SD-CE1 3.69Å; M259-F347 HydrophobicContact SD-CG 4.37Å; F347-K349 VanDerWaalsContact C-N 3.31Å; F347-K349 PolarHBondContact O-N 2.88Å; F347-S350 PolarHBondContact O-N 2.67Å; F347-F351 WeakPolarHBondContact O-CB 3.44Å; F347-F351 PolarHBondContact O-N 3.45Å
348	K	72.4	Confident	68.5	Low	115 Å²	115	91.7 Å²	91.7	50%	0.5	45%	0.454	S	S	.	.	H	α-helix	trans	-59.9	-42.6	177.2	-176.9	178.9	177.1	-176.1	0	111.5	N352	K348-N352 WeakPolarHBondContact O-CB 3.3Å; K348-N352 VanDerWaalsContact O-CG 3.25Å; K348-N352 PolarHBondContact O-N 3.38Å
349	K	76	Confident	69.9	Low	135 Å²	135	90.1 Å²	90.1	59%	0.587	45%	0.446	S	S	*	.	H	α-helix	trans	-68.2	-50.4	179.5	-169.4	176.7	179.7	-178.4	0	111.5	V345 T346 F347 F351 N352 D353	V345-K349 WeakPolarHBondContact O-CB 3.25Å; V345-K349 PolarHBondContact O-N 3.33Å; T346-K349 PolarHBondContact O-N 3.48Å; F347-K349 VanDerWaalsContact C-N 3.31Å; F347-K349 PolarHBondContact O-N 2.88Å; K349-F351 VanDerWaalsContact C-N 3.31Å; K349-F351 PolarHBondContact O-N 2.74Å; K349-N352 PolarHBondContact O-N 2.97Å; K349-N352 VanDerWaalsContact O-N 3.15Å; K349-D353 PolarHBondContact O-N 3.42Å
350	S	77.3	Confident	71.3	Confident	70 Å²	70	92.8 Å²	92.8	49%	0.49	46%	0.463	S	S	.	.	H	α-helix	trans	-58.9	-40.7	179.6	176.5	0	0	0	0	112.9	T346 F347 D353 E354	T346-S350 WeakPolarHBondContact O-CB 3.33Å; T346-S350 PolarHBondContact O-N 2.77Å; F347-S350 PolarHBondContact O-N 2.67Å; S350-D353 PolarHBondContact O-N 3.37Å; S350-E354 PolarHBondContact O-N 3.4Å; S350-E354 VanDerWaalsContact O-N 3.14Å
351	F	77.4	Confident	72.6	Confident	57 Å²	57	91.9 Å²	91.9	25%	0.25	46%	0.464	C	S	.	.	H	α-helix	trans	-66	-43.3	177	-174.1	-89.7	0	0	0	111.7	I251 Q252 S255 F347 K349 D353 M355	I251-F351 HydrophobicContact CG2-CZ 4.29Å; Q252-F351 HydrophobicContact CB-CE1 4.27Å; Q252-F351 HydrophobicContact CG-CE1 4.25Å; S255-F351 WeakPolarHBondContact OG-CE1 3.48Å; S255-F351 VanDerWaalsContact OG-CZ 3.28Å; S255-F351 WeakPolarHBondContact OG-CZ 3.43Å; F347-F351 WeakPolarHBondContact O-CB 3.44Å; F347-F351 PolarHBondContact O-N 3.45Å; K349-F351 VanDerWaalsContact C-N 3.31Å; K349-F351 PolarHBondContact O-N 2.74Å; F351-D353 VanDerWaalsContact C-N 3.35Å; F351-D353 PolarHBondContact O-N 3.22Å; F351-M355 VanDerWaalsContact O-CB 3.28Å; F351-M355 WeakPolarHBondContact O-CB 3.28Å; F351-M355 PolarHBondContact O-N 3.1Å
352	N	80.9	Confident	73.8	Confident	57 Å²	57	87.7 Å²	87.7	31%	0.305	44%	0.441	S	S	.	.	H	α-helix	trans	-64	-39.2	176.9	-75.8	-8.2	0	0	0	112.2	K348 K349 M355 E356	K348-N352 WeakPolarHBondContact O-CB 3.3Å; K348-N352 VanDerWaalsContact O-CG 3.25Å; K348-N352 PolarHBondContact O-N 3.38Å; K349-N352 PolarHBondContact O-N 2.97Å; K349-N352 VanDerWaalsContact O-N 3.15Å; N352-M355 WeakPolarHBondContact O-CB 3.44Å; N352-M355 PolarHBondContact O-N 2.72Å; N352-E356 WeakPolarHBondContact O-CB 3.34Å; N352-E356 PolarHBondContact O-N 3.44Å
353	D	82.5	Confident	74.8	Confident	73 Å²	73	82.4 Å²	82.4	39%	0.39	42%	0.424	S	S	.	.	H	α-helix	trans	-66.1	-42.3	179.7	-65.6	-14.2	0	0	0	111.6	K349 S350 F351 E356 K357	K349-D353 PolarHBondContact O-N 3.42Å; S350-D353 PolarHBondContact O-N 3.37Å; F351-D353 VanDerWaalsContact C-N 3.35Å; F351-D353 PolarHBondContact O-N 3.22Å; D353-E356 PolarHBondContact O-N 2.86Å; D353-K357 WeakPolarHBondContact O-CG 3.42Å; D353-K357 PolarHBondContact O-N 3.47Å; D353-K357 VanDerWaalsContact O-N 3.12Å
354	E	81.9	Confident	75.8	Confident	94 Å²	94	82.5 Å²	82.5	44%	0.439	42%	0.42	S	S	.	.	H	α-helix	trans	-66.9	-40.4	174.7	-75.9	-58.1	138.6	0	0	112	S350 E356 K357 I358	S350-E354 PolarHBondContact O-N 3.4Å; S350-E354 VanDerWaalsContact O-N 3.14Å; E354-E356 VanDerWaalsContact C-N 3.29Å; E354-E356 PolarHBondContact O-N 2.8Å; E354-K357 PolarHBondContact O-N 3.45Å; E354-K357 IonicContact OE1-NZ 4Å; E354-K357 PolarHBondContact OE1-NZ 2.82Å; E354-I358 WeakPolarHBondContact O-CG1 3.22Å; E354-I358 PolarHBondContact O-N 3.36Å; E354-I358 VanDerWaalsContact O-N 3.15Å
355	M	79.8	Confident	76.9	Confident	15 Å²	15	85.8 Å²	85.8	7%	0.074	44%	0.437	C	S	.	.	H	α-helix	trans	-60.3	-40.6	174.2	-171	66.5	175	0	0	111.7	L248 Q252 F351 N352 I358 L359	L248-M355 VanDerWaalsContact C-CE 3.45Å; L248-M355 HydrophobicContact CB-CE 3.52Å; L248-M355 HydrophobicContact CB-SD 4.46Å; L248-M355 HydrophobicContact CD2-CE 3.38Å; L248-M355 HydrophobicContact CD2-SD 3.52Å; L248-M355 VanDerWaalsContact CD2-SD 3.52Å; L248-M355 HydrophobicContact CG-CE 3.47Å; L248-M355 VanDerWaalsContact CG-CE 3.47Å; L248-M355 HydrophobicContact CG-SD 3.76Å; L248-M355 WeakPolarHBondContact O-CE 3.06Å; Q252-M355 HydrophobicContact CB-CE 3.9Å; F351-M355 VanDerWaalsContact O-CB 3.28Å; F351-M355 WeakPolarHBondContact O-CB 3.28Å; F351-M355 PolarHBondContact O-N 3.1Å; N352-M355 WeakPolarHBondContact O-CB 3.44Å; N352-M355 PolarHBondContact O-N 2.72Å; M355-I358 PolarHBondContact O-N 3.34Å; M355-L359 HydrophobicContact CE-CD1 4.42Å; M355-L359 HydrophobicContact CG-CD1 4.29Å; M355-L359 WeakPolarHBondContact O-CG 3.06Å; M355-L359 PolarHBondContact O-N 3.14Å
356	E	81.5	Confident	77.7	Confident	93 Å²	93	85.2 Å²	85.2	44%	0.435	43%	0.431	S	S	.	.	H	α-helix	trans	-66	-39.9	177.8	-176	160.2	-151.7	0	0	112.3	N352 D353 E354 I358 L359 N360 R364	N352-E356 WeakPolarHBondContact O-CB 3.34Å; N352-E356 PolarHBondContact O-N 3.44Å; D353-E356 PolarHBondContact O-N 2.86Å; E354-E356 VanDerWaalsContact C-N 3.29Å; E354-E356 PolarHBondContact O-N 2.8Å; E356-I358 PolarHBondContact O-N 3.46Å; E356-L359 PolarHBondContact O-N 2.97Å; E356-N360 WeakPolarHBondContact O-CB 3.37Å; E356-N360 PolarHBondContact O-N 3.42Å; E356-N360 PolarHBondContact O-OD1 3.34Å; E356-R364 IonicContact OE1-NH2 3.19Å; E356-R364 PolarHBondContact OE1-NH2 3.24Å
357	K	84.5	Confident	78.1	Confident	121 Å²	121	85.7 Å²	85.7	53%	0.526	43%	0.43	S	S	.	.	H	α-helix	trans	-61	-43.3	174.2	-71.4	175.3	-169.9	167.2	0	112.6	D353 E354 N360 T361	D353-K357 WeakPolarHBondContact O-CG 3.42Å; D353-K357 PolarHBondContact O-N 3.47Å; D353-K357 VanDerWaalsContact O-N 3.12Å; E354-K357 PolarHBondContact O-N 3.45Å; E354-K357 IonicContact OE1-NZ 4Å; E354-K357 PolarHBondContact OE1-NZ 2.82Å; K357-N360 PolarHBondContact O-N 2.84Å; K357-T361 PolarHBondContact O-N 2.99Å; K357-T361 VanDerWaalsContact O-N 3.09Å; K357-T361 PolarHBondContact O-OG1 3.38Å
358	I	80.7	Confident	78.5	Confident	74 Å²	74	86.1 Å²	86.1	38%	0.379	44%	0.442	S	S	.	.	H	α-helix	trans	-64.2	-46.3	178.8	-64.2	168.1	0	0	0	109.9	L248 E354 M355 E356 N360 T361 I362	L248-I358 HydrophobicContact CD1-CG2 4.07Å; L248-I358 HydrophobicContact CD2-CB 4.2Å; L248-I358 HydrophobicContact CD2-CG2 3.62Å; L248-I358 HydrophobicContact CG-CG2 4.46Å; E354-I358 WeakPolarHBondContact O-CG1 3.22Å; E354-I358 PolarHBondContact O-N 3.36Å; E354-I358 VanDerWaalsContact O-N 3.15Å; M355-I358 PolarHBondContact O-N 3.34Å; E356-I358 PolarHBondContact O-N 3.46Å; I358-N360 VanDerWaalsContact C-N 3.31Å; I358-N360 PolarHBondContact O-N 3.21Å; I358-T361 PolarHBondContact O-N 3.39Å; I358-T361 VanDerWaalsContact O-N 3.16Å; I358-I362 HydrophobicContact CG2-CD1 3.55Å; I358-I362 HydrophobicContact CG2-CG1 4.35Å; I358-I362 WeakPolarHBondContact O-CG1 3.44Å; I358-I362 PolarHBondContact O-N 2.98Å
359	L	82.3	Confident	78.3	Confident	38 Å²	38	87.8 Å²	87.8	20%	0.199	45%	0.446	C	S	.	.	H	α-helix	trans	-63.2	-35.2	177.5	-73.4	170.8	0	0	0	112.9	L248 M355 E356 T361 G363	L248-L359 HydrophobicContact CD2-CD2 3.8Å; L248-L359 HydrophobicContact CD2-CG 3.92Å; M355-L359 HydrophobicContact CE-CD1 4.42Å; M355-L359 HydrophobicContact CG-CD1 4.29Å; M355-L359 WeakPolarHBondContact O-CG 3.06Å; M355-L359 PolarHBondContact O-N 3.14Å; E356-L359 PolarHBondContact O-N 2.97Å; L359-T361 VanDerWaalsContact C-N 3.33Å; L359-G363 CarbonylContact O-C 3.58Å; L359-G363 WeakPolarHBondContact O-CA 3.5Å; L359-G363 PolarHBondContact O-N 3.27Å
360	N	81.5	Confident	77.6	Confident	101 Å²	101	87.9 Å²	87.9	54%	0.54	45%	0.452	S	S	.	.	H	α-helix	trans	-70.1	-30.2	176	-70.4	-7.9	0	0	0	112.4	E356 K357 I358 R364	E356-N360 WeakPolarHBondContact O-CB 3.37Å; E356-N360 PolarHBondContact O-N 3.42Å; E356-N360 PolarHBondContact O-OD1 3.34Å; K357-N360 PolarHBondContact O-N 2.84Å; I358-N360 VanDerWaalsContact C-N 3.31Å; I358-N360 PolarHBondContact O-N 3.21Å; N360-R364 PolarHBondContact OD1-NH2 2.75Å
361	T	79.8	Confident	76.6	Confident	127 Å²	127	87.2 Å²	87.2	78%	0.779	44%	0.444	S	S	*	.	H	α-helix	trans	-78.4	-40.7	178.4	-52.4	0	0	0	0	112.1	K357 I358 L359 G363	K357-T361 PolarHBondContact O-N 2.99Å; K357-T361 VanDerWaalsContact O-N 3.09Å; K357-T361 PolarHBondContact O-OG1 3.38Å; I358-T361 PolarHBondContact O-N 3.39Å; I358-T361 VanDerWaalsContact O-N 3.16Å; L359-T361 VanDerWaalsContact C-N 3.33Å; T361-G363 VanDerWaalsContact C-N 3.3Å
362	I	77.4	Confident	75.5	Confident	45 Å²	45	90.4 Å²	90.4	23%	0.231	46%	0.464	C	S	.	.	H	α-helix	trans	-75.7	-23.9	178.2	-63.6	174	0	0	0	111.2	L241 I244 I358	L241-I362 HydrophobicContact CD2-CG2 3.6Å; I244-I362 HydrophobicContact CG2-CD1 3.75Å; I358-I362 HydrophobicContact CG2-CD1 3.55Å; I358-I362 HydrophobicContact CG2-CG1 4.35Å; I358-I362 WeakPolarHBondContact O-CG1 3.44Å; I358-I362 PolarHBondContact O-N 2.98Å
363	G	75	Confident	74.3	Confident	25 Å²	25	90.5 Å²	90.5	26%	0.258	47%	0.469	S	S	.	.			trans	82.1	145.1	-170.4	0	0	0	0	0	111.5	R245 L359 T361	R245-G363 VanDerWaalsContact CZ-O 3.25Å; R245-G363 PolarHBondContact NE-O 2.97Å; R245-G363 PolarHBondContact NH2-O 3.45Å; L359-G363 CarbonylContact O-C 3.58Å; L359-G363 WeakPolarHBondContact O-CA 3.5Å; L359-G363 PolarHBondContact O-N 3.27Å; T361-G363 VanDerWaalsContact C-N 3.3Å
364	R	74.4	Confident	73	Confident	139 Å²	139	91.8 Å²	91.8	53%	0.525	48%	0.476	S	S	.	.	S	Bend	trans	-85.8	-23.8	176.3	-63.4	-174.6	-172.3	172.8	3.5	112.7	R245 E356 N360	R245-R364 VanDerWaalsContact CZ-O 3.24Å; R245-R364 PolarHBondContact NH1-O 3.11Å; E356-R364 IonicContact OE1-NH2 3.19Å; E356-R364 PolarHBondContact OE1-NH2 3.24Å; N360-R364 PolarHBondContact OD1-NH2 2.75Å
365	D	77.1	Confident	71.8	Confident	135 Å²	135	89.5 Å²	89.5	72%	0.722	48%	0.478	S	S	*	.	S	Bend	trans	-111.7	160.7	-175.1	-56.5	-38.8	0	0	0	111.7	R245	R245-D365 PolarHBondContact NH2-O 2.67Å
366	N	78.1	Confident	70.3	Confident	90 Å²	90	91.9 Å²	91.9	48%	0.481	49%	0.488	S	S	.	.			trans	-67.6	142.7	178.3	-72.8	-3.9	0	0	0	111.1	N238 R245 T368	N238-N366 HydrophobicContact CB-CB 4.43Å; N238-N366 WeakPolarHBondContact OD1-CA 3.49Å; N238-N366 WeakPolarHBondContact OD1-CB 3.23Å; R245-N366 PolarHBondContact NH1-OD1 3.14Å; N366-T368 PolarHBondContact O-N 3.42Å
367	I	75.1	Confident	69.1	Low	84 Å²	84	91.7 Å²	91.7	43%	0.431	49%	0.49	S	S	.	.			trans	-69.1	126.6	176.6	-58.4	175.1	0	0	0	107.8	L234 N238 L241	L234-I367 HydrophobicContact CD2-CB 4.33Å; L234-I367 HydrophobicContact CD2-CG2 3.9Å; N238-I367 PolarHBondContact ND2-O 2.92Å; N238-I367 PolarHBondContact OD1-N 3.41Å; L241-I367 HydrophobicContact CD1-CD1 3.63Å; L241-I367 HydrophobicContact CD1-CG1 3.86Å
368	T	72.6	Confident	68	Low	120 Å²	120	91.3 Å²	91.3	74%	0.736	49%	0.49	S	S	*	.			trans	-118.8	148	173.2	56.6	0	0	0	0	109.7	N366	N366-T368 PolarHBondContact O-N 3.42Å
369	Y	68.8	Low	66.6	Low	151 Å²	151	92.8 Å²	92.8	59%	0.592	50%	0.498	S	S	*	.			trans	-118.2	142.5	177.2	179	-110.3	0	0	0	110.2	I230 V371	I230-Y369 HydrophobicContact CG2-CD1 4.39Å; Y369-V371 HydrophobicContact CD1-CG2 3.88Å; Y369-V371 HydrophobicContact CE1-CB 4.17Å; Y369-V371 HydrophobicContact CE1-CG2 3.38Å
370	I	61.4	Low	65.3	Low	137 Å²	137	91.9 Å²	91.9	70%	0.703	49%	0.494	S	S	*	.			trans	-118.7	108.5	176.8	-58.7	166.5	0	0	0	107.1	N372	I370-N372 PolarHBondContact O-N 2.73Å
371	V	55.8	Low	64.3	Low	56 Å²	56	89.1 Å²	89.1	34%	0.339	48%	0.483	S	S	.	.			trans	-71.5	118.6	169.5	-177.5	0	0	0	0	108.2	L223 N227 Y369	L223-V371 HydrophobicContact CD2-CG1 3.97Å; N227-V371 WeakPolarHBondContact OD1-CG2 3.03Å; Y369-V371 HydrophobicContact CD1-CG2 3.88Å; Y369-V371 HydrophobicContact CE1-CB 4.17Å; Y369-V371 HydrophobicContact CE1-CG2 3.38Å
372	N	55.3	Low	63.4	Low	123 Å²	123	87.8 Å²	87.8	66%	0.658	47%	0.468	S	S	*	.			trans	-95.7	94.7	176.7	-139.9	14.7	0	0	0	109.6	I370 N374	I370-N372 PolarHBondContact O-N 2.73Å; N372-N374 PolarHBondContact O-N 3.09Å; N372-N374 VanDerWaalsContact O-N 3.09Å
373	S	55.7	Low	62.4	Low	60 Å²	60	91.8 Å²	91.8	42%	0.42	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-3.5	-179.1	60.7	0	0	0	0	114.7	G375	S373-G375 PolarHBondContact O-N 3.28Å
374	N	55.2	Low	61.5	Low	99 Å²	99	94.4 Å²	94.4	53%	0.529	50%	0.495	S	S	.	.	H	α-helix	trans	-68.4	-30.6	-174	-69	-16.7	0	0	0	114.2	N372 F376 N377 Q378	N372-N374 PolarHBondContact O-N 3.09Å; N372-N374 VanDerWaalsContact O-N 3.09Å; N374-F376 VanDerWaalsContact C-N 3.3Å; N374-F376 PolarHBondContact O-N 3.21Å; N374-N377 PolarHBondContact O-N 2.94Å; N374-Q378 PolarHBondContact O-N 3.35Å
375	G	54.9	Low	60.8	Low	46 Å²	46	93.7 Å²	93.7	47%	0.474	50%	0.496	S	S	.	.	H	α-helix	trans	-64.2	-33	-178.7	0	0	0	0	0	113.6	S373 L379	S373-G375 PolarHBondContact O-N 3.28Å; G375-L379 PolarHBondContact O-N 3.29Å
376	F	50.3	Low	59.9	Low	65 Å²	65	89.3 Å²	89.3	29%	0.285	48%	0.482	S	S	.	.	H	α-helix	trans	-78.5	-38.1	179.7	-170.8	-94.6	0	0	0	112.7	L215 N374 Q378 L379 T380	L215-F376 HydrophobicContact CB-CE1 4.5Å; L215-F376 HydrophobicContact CB-CZ 3.93Å; L215-F376 HydrophobicContact CD1-CE2 4.5Å; L215-F376 HydrophobicContact CD1-CZ 3.95Å; L215-F376 HydrophobicContact CG-CZ 4.37Å; N374-F376 VanDerWaalsContact C-N 3.3Å; N374-F376 PolarHBondContact O-N 3.21Å; F376-Q378 PolarHBondContact O-N 3.19Å; F376-L379 PolarHBondContact O-N 3.49Å; F376-T380 PolarHBondContact O-N 2.75Å; F376-T380 PolarHBondContact O-OG1 3.43Å
377	N	56.1	Low	58.7	Low	89 Å²	89	86.9 Å²	86.9	48%	0.476	47%	0.468	S	S	.	.	H	α-helix	trans	-59.8	-35.1	172.4	-72.9	-29.7	0	0	0	111.5	N374 S381	N374-N377 PolarHBondContact O-N 2.94Å; N377-S381 WeakPolarHBondContact O-CB 3.26Å; N377-S381 PolarHBondContact O-N 2.94Å
378	Q	60.8	Low	57.7	Low	114 Å²	114	86.5 Å²	86.5	53%	0.533	47%	0.468	S	S	.	.	H	α-helix	trans	-64.1	-49.5	174.7	-173.6	177.3	-17.1	0	0	112	N374 F376 T380 S381 E382	N374-Q378 PolarHBondContact O-N 3.35Å; F376-Q378 PolarHBondContact O-N 3.19Å; Q378-T380 VanDerWaalsContact C-N 3.31Å; Q378-T380 PolarHBondContact O-N 3.37Å; Q378-S381 WeakPolarHBondContact O-CB 3.29Å; Q378-S381 PolarHBondContact O-N 2.97Å; Q378-S381 VanDerWaalsContact O-N 3.07Å; Q378-S381 PolarHBondContact O-OG 2.94Å; Q378-E382 PolarHBondContact NE2-OE1 3.42Å; Q378-E382 WeakPolarHBondContact O-CG 3.12Å; Q378-E382 PolarHBondContact O-N 3.27Å
379	L	51.7	Low	56.9	Low	105 Å²	105	87.8 Å²	87.8	55%	0.55	47%	0.465	S	S	.	.	H	α-helix	trans	-56.3	-44.3	175.6	-78.8	164.7	0	0	0	112	G375 F376 S381 E382 M383	G375-L379 PolarHBondContact O-N 3.29Å; F376-L379 PolarHBondContact O-N 3.49Å; L379-S381 VanDerWaalsContact C-N 3.32Å; L379-S381 PolarHBondContact O-N 2.69Å; L379-E382 PolarHBondContact O-N 3.16Å; L379-M383 PolarHBondContact O-N 3.28Å
380	T	53.6	Low	56.1	Low	18 Å²	18	85.5 Å²	85.5	11%	0.11	46%	0.462	C	S	.	.	H	α-helix	trans	-63.1	-39.6	176.8	-50.3	0	0	0	0	111.4	F376 Q378 N384	F376-T380 PolarHBondContact O-N 2.75Å; F376-T380 PolarHBondContact O-OG1 3.43Å; Q378-T380 VanDerWaalsContact C-N 3.31Å; Q378-T380 PolarHBondContact O-N 3.37Å; T380-N384 PolarHBondContact O-N 3.21Å; T380-N384 VanDerWaalsContact O-N 3.1Å; T380-N384 PolarHBondContact O-ND2 3.42Å
381	S	60.8	Low	55.6	Low	44 Å²	44	85.4 Å²	85.4	31%	0.308	46%	0.457	S	S	.	.	H	α-helix	trans	-68.2	-36.4	177.6	85	0	0	0	0	112.7	N377 Q378 L379 N384 K385	N377-S381 WeakPolarHBondContact O-CB 3.26Å; N377-S381 PolarHBondContact O-N 2.94Å; Q378-S381 WeakPolarHBondContact O-CB 3.29Å; Q378-S381 PolarHBondContact O-N 2.97Å; Q378-S381 VanDerWaalsContact O-N 3.07Å; Q378-S381 PolarHBondContact O-OG 2.94Å; L379-S381 VanDerWaalsContact C-N 3.32Å; L379-S381 PolarHBondContact O-N 2.69Å; S381-N384 PolarHBondContact O-N 3.11Å; S381-K385 VanDerWaalsContact O-CG 3.27Å; S381-K385 WeakPolarHBondContact O-CG 3.44Å; S381-K385 PolarHBondContact O-N 3.03Å
382	E	62.4	Low	55.6	Low	99 Å²	99	88.7 Å²	88.7	46%	0.463	47%	0.468	S	S	.	.	H	α-helix	trans	-69.9	-40.4	178.5	-73.9	176.4	-171.1	0	0	111.3	Q378 L379 K385 G386	Q378-E382 PolarHBondContact NE2-OE1 3.42Å; Q378-E382 WeakPolarHBondContact O-CG 3.12Å; Q378-E382 PolarHBondContact O-N 3.27Å; L379-E382 PolarHBondContact O-N 3.16Å; E382-K385 PolarHBondContact O-N 2.86Å; E382-G386 PolarHBondContact O-N 3.47Å
383	M	55.3	Low	55.8	Low	129 Å²	129	85.6 Å²	85.6	64%	0.635	46%	0.457	S	S	*	.	H	α-helix	trans	-60.7	-45.5	171.4	-79.6	-170.3	162.8	0	0	112.2	L379 K385 G386 M387	L379-M383 PolarHBondContact O-N 3.28Å; M383-K385 PolarHBondContact O-N 2.9Å; M383-G386 PolarHBondContact O-N 3.47Å; M383-M387 PolarHBondContact O-N 2.86Å; M383-M387 VanDerWaalsContact O-N 3.08Å
384	N	57.1	Low	56	Low	79 Å²	79	88.3 Å²	88.3	42%	0.422	47%	0.466	S	S	.	.	H	α-helix	trans	-63.1	-39.8	177.2	-73.6	-24.1	0	0	0	112.2	T380 S381 M387 D388	T380-N384 PolarHBondContact O-N 3.21Å; T380-N384 VanDerWaalsContact O-N 3.1Å; T380-N384 PolarHBondContact O-ND2 3.42Å; S381-N384 PolarHBondContact O-N 3.11Å; N384-M387 CarbonylContact O-C 3.51Å; N384-M387 PolarHBondContact O-N 3.47Å; N384-D388 PolarHBondContact O-N 3.47Å
385	K	59.1	Low	56.8	Low	125 Å²	125	86 Å²	86	54%	0.543	46%	0.458	S	S	.	.	H	α-helix	trans	-62.8	-43.7	174.6	-74.7	171.3	-173.8	173.4	0	112.1	S381 E382 M383 M387 D388 H389	S381-K385 VanDerWaalsContact O-CG 3.27Å; S381-K385 WeakPolarHBondContact O-CG 3.44Å; S381-K385 PolarHBondContact O-N 3.03Å; E382-K385 PolarHBondContact O-N 2.86Å; M383-K385 PolarHBondContact O-N 2.9Å; K385-M387 PolarHBondContact O-N 2.66Å; K385-D388 PolarHBondContact O-N 3.48Å; K385-H389 PolarHBondContact O-CD2 3.23Å; K385-H389 PolarHBondContact O-N 2.9Å; K385-H389 VanDerWaalsContact O-N 3.09Å
386	G	57.7	Low	57.5	Low	43 Å²	43	88.3 Å²	88.3	44%	0.443	46%	0.459	S	S	.	.	H	α-helix	trans	-57.8	-36	173.9	0	0	0	0	0	112.6	E382 M383	E382-G386 PolarHBondContact O-N 3.47Å; M383-G386 PolarHBondContact O-N 3.47Å
387	M	53.1	Low	58.5	Low	38 Å²	38	89.9 Å²	89.9	19%	0.187	47%	0.47	C	S	.	.	H	α-helix	trans	-80.2	-30.2	177.7	-147.5	64	170.4	0	0	113.4	K201 F204 N205 M383 N384 K385 H389 L390 K391	K201-M387 HydrophobicContact CG-CE 4.04Å; F204-M387 HydrophobicContact CB-CE 3.87Å; N205-M387 WeakPolarHBondContact OD1-CE 3.05Å; N205-M387 WeakPolarHBondContact OD1-CG 3.37Å; M383-M387 PolarHBondContact O-N 2.86Å; M383-M387 VanDerWaalsContact O-N 3.08Å; N384-M387 CarbonylContact O-C 3.51Å; N384-M387 PolarHBondContact O-N 3.47Å; K385-M387 PolarHBondContact O-N 2.66Å; M387-H389 VanDerWaalsContact C-N 3.33Å; M387-L390 HydrophobicContact CE-CD1 4.43Å; M387-L390 CarbonylContact O-C 3.55Å; M387-L390 WeakPolarHBondContact O-CA 3.4Å; M387-L390 WeakPolarHBondContact O-CB 3.35Å; M387-L390 PolarHBondContact O-N 3.44Å; M387-L390 HydrophobicContact SD-CD1 3.68Å; M387-K391 PolarHBondContact O-N 3.01Å
388	D	54.7	Low	59.5	Low	77 Å²	77	90.2 Å²	90.2	41%	0.412	47%	0.472	S	S	.	.	H	α-helix	trans	-66.7	-33.3	172.6	-78.2	-22.6	0	0	0	111.8	N384 K385 L390 K391	N384-D388 PolarHBondContact O-N 3.47Å; K385-D388 PolarHBondContact O-N 3.48Å; D388-L390 PolarHBondContact O-N 2.99Å; D388-K391 VanDerWaalsContact O-CB 3.29Å; D388-K391 WeakPolarHBondContact O-CB 3.2Å; D388-K391 PolarHBondContact O-N 2.78Å; D388-K391 VanDerWaalsContact OD1-CD 3.28Å; D388-K391 WeakPolarHBondContact OD1-CD 3.32Å; D388-K391 WeakPolarHBondContact OD1-CE 3.34Å; D388-K391 IonicContact OD1-NZ 3.37Å; D388-K391 PolarHBondContact OD1-NZ 3.31Å
389	H	54.5	Low	60.3	Low	147 Å²	147	91.5 Å²	91.5	68%	0.681	47%	0.473	S	S	*	.	H	α-helix	trans	-59.3	-30.2	168.1	-77	-71.5	0	0	0	112.3	K385 M387	K385-H389 PolarHBondContact O-CD2 3.23Å; K385-H389 PolarHBondContact O-N 2.9Å; K385-H389 VanDerWaalsContact O-N 3.09Å; M387-H389 VanDerWaalsContact C-N 3.33Å
390	L	52	Low	61.4	Low	103 Å²	103	87.7 Å²	87.7	54%	0.539	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-11.5	172.6	-61.4	174.9	0	0	0	113.6	K201 M387 D388 Q392	K201-L390 PolarHBondContact NZ-O 2.96Å; M387-L390 HydrophobicContact CE-CD1 4.43Å; M387-L390 CarbonylContact O-C 3.55Å; M387-L390 WeakPolarHBondContact O-CA 3.4Å; M387-L390 WeakPolarHBondContact O-CB 3.35Å; M387-L390 PolarHBondContact O-N 3.44Å; M387-L390 HydrophobicContact SD-CD1 3.68Å; D388-L390 PolarHBondContact O-N 2.99Å; L390-Q392 PolarHBondContact O-N 3.31Å
391	K	52.2	Low	62.6	Low	134 Å²	134	93.3 Å²	93.3	58%	0.583	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-5.5	170.3	-71.8	-178.9	-179	158.6	0	113.2	M387 D388 S393	M387-K391 PolarHBondContact O-N 3.01Å; D388-K391 VanDerWaalsContact O-CB 3.29Å; D388-K391 WeakPolarHBondContact O-CB 3.2Å; D388-K391 PolarHBondContact O-N 2.78Å; D388-K391 VanDerWaalsContact OD1-CD 3.28Å; D388-K391 WeakPolarHBondContact OD1-CD 3.32Å; D388-K391 WeakPolarHBondContact OD1-CE 3.34Å; D388-K391 IonicContact OD1-NZ 3.37Å; D388-K391 PolarHBondContact OD1-NZ 3.31Å; K391-S393 PolarHBondContact O-N 3.44Å
392	Q	55.9	Low	63.6	Low	125 Å²	125	97.5 Å²	97.5	58%	0.584	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	39.1	170.4	-145.6	178.1	1.7	0	0	113.1	L390 N394 S395	L390-Q392 PolarHBondContact O-N 3.31Å; Q392-N394 PolarHBondContact O-N 3.34Å; Q392-S395 WeakPolarHBondContact CG-OG 3.32Å; Q392-S395 PolarHBondContact O-N 3.47Å; Q392-S395 VanDerWaalsContact O-N 3.15Å; Q392-S395 PolarHBondContact O-OG 2.79Å
393	S	58.1	Low	64.3	Low	59 Å²	59	96.1 Å²	96.1	41%	0.413	49%	0.487	S	S	.	.	H	α-helix	trans	-62.8	-25.6	173.9	62.9	0	0	0	0	112.2	K391 S395 L396 L397	K391-S393 PolarHBondContact O-N 3.44Å; S393-S395 VanDerWaalsContact C-N 3.31Å; S393-S395 PolarHBondContact O-N 3.21Å; S393-L396 PolarHBondContact O-N 3.3Å; S393-L397 PolarHBondContact O-N 3.38Å
394	N	61.6	Low	65.5	Low	116 Å²	116	94.8 Å²	94.8	62%	0.62	48%	0.475	S	S	*	.	H	α-helix	trans	-64.8	-30.4	174.5	-71.3	-0.3	0	0	0	113.1	Q392 N398	Q392-N394 PolarHBondContact O-N 3.34Å; N394-N398 PolarHBondContact O-N 3.33Å
395	S	71.5	Confident	66.4	Low	51 Å²	51	94.8 Å²	94.8	36%	0.357	48%	0.481	S	S	.	.	H	α-helix	trans	-72.4	-33.9	176.3	64.2	0	0	0	0	111.9	Q392 S393 N398 Y399	Q392-S395 WeakPolarHBondContact CG-OG 3.32Å; Q392-S395 PolarHBondContact O-N 3.47Å; Q392-S395 VanDerWaalsContact O-N 3.15Å; Q392-S395 PolarHBondContact O-OG 2.79Å; S393-S395 VanDerWaalsContact C-N 3.31Å; S393-S395 PolarHBondContact O-N 3.21Å; S395-N398 PolarHBondContact O-N 3.44Å; S395-Y399 PolarHBondContact O-N 3.25Å
396	L	68.4	Low	67.5	Low	94 Å²	94	94.8 Å²	94.8	49%	0.492	48%	0.481	S	S	.	.	H	α-helix	trans	-65.1	-39.8	174.9	-70.9	173.4	0	0	0	111.6	L194 S393 Y399 I400	L194-L396 HydrophobicContact CD2-CD1 4.23Å; S393-L396 PolarHBondContact O-N 3.3Å; L396-Y399 PolarHBondContact O-N 2.84Å; L396-I400 WeakPolarHBondContact O-CD1 3.4Å; L396-I400 VanDerWaalsContact O-CG1 3.23Å; L396-I400 WeakPolarHBondContact O-CG1 3.46Å; L396-I400 PolarHBondContact O-N 3.43Å
397	L	71.7	Confident	68.4	Low	98 Å²	98	94.7 Å²	94.7	51%	0.513	47%	0.47	S	S	.	.	H	α-helix	trans	-62.2	-45.6	175.6	-73	170.7	0	0	0	112	S393 Y399 I400 E401	S393-L397 PolarHBondContact O-N 3.38Å; L397-Y399 VanDerWaalsContact C-N 3.3Å; L397-Y399 PolarHBondContact O-N 2.94Å; L397-I400 HydrophobicContact CD2-CD1 4.4Å; L397-I400 WeakPolarHBondContact O-CB 3.5Å; L397-I400 PolarHBondContact O-N 2.9Å; L397-I400 VanDerWaalsContact O-N 3.11Å; L397-E401 PolarHBondContact O-N 3.13Å
398	N	77.4	Confident	69.4	Low	97 Å²	97	93.7 Å²	93.7	52%	0.519	47%	0.467	S	S	.	.	H	α-helix	trans	-60.2	-41.4	175.9	-72.2	6.3	0	0	0	111.8	N394 S395 I400 E401 E402	N394-N398 PolarHBondContact O-N 3.33Å; S395-N398 PolarHBondContact O-N 3.44Å; N398-I400 VanDerWaalsContact C-N 3.31Å; N398-I400 PolarHBondContact O-N 3.12Å; N398-E401 PolarHBondContact O-N 2.89Å; N398-E402 WeakPolarHBondContact O-CG 3.38Å; N398-E402 PolarHBondContact O-N 2.89Å
399	Y	77.8	Confident	70.6	Confident	140 Å²	140	98.5 Å²	98.5	55%	0.549	48%	0.479	S	S	.	.	H	α-helix	trans	-62.3	-37.8	175.9	-174.3	-100.5	0	0	0	112.4	S395 L396 L397 E402 M403	S395-Y399 PolarHBondContact O-N 3.25Å; L396-Y399 PolarHBondContact O-N 2.84Å; L397-Y399 VanDerWaalsContact C-N 3.3Å; L397-Y399 PolarHBondContact O-N 2.94Å; Y399-E402 PolarHBondContact O-N 2.87Å; Y399-M403 HydrophobicContact CD1-CG 3.97Å; Y399-M403 HydrophobicContact CE1-CG 3.61Å; Y399-M403 HydrophobicContact CE1-SD 4.28Å; Y399-M403 HydrophobicContact CE2-CG 4.41Å; Y399-M403 WeakPolarHBondContact O-CB 3.12Å; Y399-M403 WeakPolarHBondContact O-CG 3.44Å; Y399-M403 PolarHBondContact O-N 3.43Å
400	I	75.2	Confident	71.8	Confident	25 Å²	25	95.1 Å²	95.1	13%	0.128	47%	0.466	C	S	.	.	H	α-helix	trans	-65.9	-39.9	175.6	-65.3	157.9	0	0	0	111.1	F187 I190 L194 L396 L397 N398 M403 R404	F187-I400 HydrophobicContact CE2-CG2 4.06Å; I190-I400 HydrophobicContact CG2-CD1 4.26Å; I190-I400 HydrophobicContact CG2-CG1 4.15Å; L194-I400 HydrophobicContact CD1-CD1 3.19Å; L194-I400 HydrophobicContact CD1-CG1 4.31Å; L194-I400 HydrophobicContact CG-CD1 4.45Å; L396-I400 WeakPolarHBondContact O-CD1 3.4Å; L396-I400 VanDerWaalsContact O-CG1 3.23Å; L396-I400 WeakPolarHBondContact O-CG1 3.46Å; L396-I400 PolarHBondContact O-N 3.43Å; L397-I400 HydrophobicContact CD2-CD1 4.4Å; L397-I400 WeakPolarHBondContact O-CB 3.5Å; L397-I400 PolarHBondContact O-N 2.9Å; L397-I400 VanDerWaalsContact O-N 3.11Å; N398-I400 VanDerWaalsContact C-N 3.31Å; N398-I400 PolarHBondContact O-N 3.12Å; I400-M403 PolarHBondContact O-N 2.99Å; I400-R404 WeakPolarHBondContact O-CB 3.21Å; I400-R404 PolarHBondContact O-N 2.9Å
401	E	79	Confident	72.8	Confident	136 Å²	136	92 Å²	92	64%	0.636	45%	0.449	S	S	*	.	H	α-helix	trans	-65.2	-43	176.6	-69.4	-169.3	162.4	0	0	111.9	L397 N398 R404 S405	L397-E401 PolarHBondContact O-N 3.13Å; N398-E401 PolarHBondContact O-N 2.89Å; E401-R404 PolarHBondContact O-N 3.48Å; E401-S405 PolarHBondContact O-N 2.9Å
402	E	81.7	Confident	73.8	Confident	133 Å²	133	86.5 Å²	86.5	62%	0.621	43%	0.427	S	S	*	.	H	α-helix	trans	-60.2	-46.2	173	-72.9	177.9	-168.8	0	0	111.4	N398 Y399 R404 S405 F406	N398-E402 WeakPolarHBondContact O-CG 3.38Å; N398-E402 PolarHBondContact O-N 2.89Å; Y399-E402 PolarHBondContact O-N 2.87Å; E402-R404 VanDerWaalsContact C-N 3.35Å; E402-R404 PolarHBondContact O-N 3.13Å; E402-S405 WeakPolarHBondContact O-CB 3Å; E402-S405 PolarHBondContact O-N 3.48Å; E402-F406 PolarHBondContact O-N 3.01Å
403	M	77	Confident	74.8	Confident	70 Å²	70	83.2 Å²	83.2	35%	0.345	42%	0.415	S	S	.	.	H	α-helix	trans	-63.3	-39.1	176.9	-74.4	-64.2	-72.1	0	0	112.2	Y399 I400 S405 F406 I407	Y399-M403 HydrophobicContact CD1-CG 3.97Å; Y399-M403 HydrophobicContact CE1-CG 3.61Å; Y399-M403 HydrophobicContact CE1-SD 4.28Å; Y399-M403 HydrophobicContact CE2-CG 4.41Å; Y399-M403 WeakPolarHBondContact O-CB 3.12Å; Y399-M403 WeakPolarHBondContact O-CG 3.44Å; Y399-M403 PolarHBondContact O-N 3.43Å; I400-M403 PolarHBondContact O-N 2.99Å; M403-S405 VanDerWaalsContact C-N 3.32Å; M403-S405 PolarHBondContact O-N 3.4Å; M403-F406 PolarHBondContact O-N 3.25Å; M403-I407 WeakPolarHBondContact O-CB 3.04Å; M403-I407 WeakPolarHBondContact O-CD1 3.41Å; M403-I407 VanDerWaalsContact O-CG1 3.23Å; M403-I407 WeakPolarHBondContact O-CG1 3.23Å; M403-I407 PolarHBondContact O-N 3.23Å
404	R	78.8	Confident	75.7	Confident	100 Å²	100	83.7 Å²	83.7	38%	0.377	41%	0.413	S	S	.	.	H	α-helix	trans	-61.9	-41.6	174.3	179.9	-179.9	174.1	-173.4	-2.3	111.3	N132 I400 E401 E402 S408	N132-R404 PolarHBondContact ND2-NH2 2.76Å; I400-R404 WeakPolarHBondContact O-CB 3.21Å; I400-R404 PolarHBondContact O-N 2.9Å; E401-R404 PolarHBondContact O-N 3.48Å; E402-R404 VanDerWaalsContact C-N 3.35Å; E402-R404 PolarHBondContact O-N 3.13Å; R404-S408 WeakPolarHBondContact O-CB 3.33Å; R404-S408 PolarHBondContact O-N 3.32Å; R404-S408 PolarHBondContact O-OG 3.19Å
405	S	77.7	Confident	76.3	Confident	80 Å²	80	78.5 Å²	78.5	56%	0.559	39%	0.385	S	S	*	.	H	α-helix	trans	-64	-46.6	175.8	-172.9	0	0	0	0	111.4	E401 E402 M403 I407 S408 W409	E401-S405 PolarHBondContact O-N 2.9Å; E402-S405 WeakPolarHBondContact O-CB 3Å; E402-S405 PolarHBondContact O-N 3.48Å; M403-S405 VanDerWaalsContact C-N 3.32Å; M403-S405 PolarHBondContact O-N 3.4Å; S405-I407 PolarHBondContact O-N 3.01Å; S405-S408 WeakPolarHBondContact O-CB 3.5Å; S405-S408 PolarHBondContact O-N 2.88Å; S405-W409 PolarHBondContact O-N 3.05Å
406	F	81.2	Confident	76.4	Confident	125 Å²	125	77.8 Å²	77.8	55%	0.548	38%	0.377	S	S	.	.	H	α-helix	trans	-59.6	-48.4	177.1	179.3	-99.4	0	0	0	112.4	E402 M403 S408 W409 L410	E402-F406 PolarHBondContact O-N 3.01Å; M403-F406 PolarHBondContact O-N 3.25Å; F406-S408 VanDerWaalsContact C-N 3.3Å; F406-S408 PolarHBondContact O-N 3.39Å; F406-W409 PolarHBondContact O-N 3.05Å; F406-L410 HydrophobicContact CE1-CD1 4.12Å; F406-L410 HydrophobicContact CZ-CD1 4.34Å; F406-L410 WeakPolarHBondContact O-CB 3.25Å; F406-L410 PolarHBondContact O-N 3.19Å
407	I	77.6	Confident	76.9	Confident	40 Å²	40	76.4 Å²	76.4	21%	0.205	37%	0.373	C	S	.	.	H	α-helix	trans	-60.8	-42	177.5	-68.7	165.1	0	0	0	110.5	Y183 M403 S405 W409 L410 L411	Y183-I407 HydrophobicContact CD2-CG2 3.89Å; Y183-I407 HydrophobicContact CE2-CG2 4.26Å; M403-I407 WeakPolarHBondContact O-CB 3.04Å; M403-I407 WeakPolarHBondContact O-CD1 3.41Å; M403-I407 VanDerWaalsContact O-CG1 3.23Å; M403-I407 WeakPolarHBondContact O-CG1 3.23Å; M403-I407 PolarHBondContact O-N 3.23Å; S405-I407 PolarHBondContact O-N 3.01Å; I407-W409 VanDerWaalsContact C-N 3.31Å; I407-W409 PolarHBondContact O-N 2.96Å; I407-L410 PolarHBondContact O-N 3.4Å; I407-L411 HydrophobicContact CG2-CD1 3.79Å; I407-L411 HydrophobicContact CG2-CG 4.23Å; I407-L411 WeakPolarHBondContact O-CB 3.38Å; I407-L411 WeakPolarHBondContact O-CG 3.08Å; I407-L411 PolarHBondContact O-N 2.88Å
408	S	74.3	Confident	77.3	Confident	18 Å²	18	72.9 Å²	72.9	13%	0.126	35%	0.354	C	S	.	.	H	α-helix	trans	-59.2	-42.1	176.9	-64.2	0	0	0	0	112.1	R404 S405 F406 L412	R404-S408 WeakPolarHBondContact O-CB 3.33Å; R404-S408 PolarHBondContact O-N 3.32Å; R404-S408 PolarHBondContact O-OG 3.19Å; S405-S408 WeakPolarHBondContact O-CB 3.5Å; S405-S408 PolarHBondContact O-N 2.88Å; F406-S408 VanDerWaalsContact C-N 3.3Å; F406-S408 PolarHBondContact O-N 3.39Å; S408-L412 PolarHBondContact O-N 3.17Å; S408-L412 VanDerWaalsContact O-N 3.13Å
409	W	79.9	Confident	77.4	Confident	177 Å²	177	69.1 Å²	69.1	67%	0.67	33%	0.333	S	S	*	.	H	α-helix	trans	-70.7	-40.6	178.3	-153.4	84.8	0	0	0	112.3	S405 F406 I407 L411 L412 V413	S405-W409 PolarHBondContact O-N 3.05Å; F406-W409 PolarHBondContact O-N 3.05Å; I407-W409 VanDerWaalsContact C-N 3.31Å; I407-W409 PolarHBondContact O-N 2.96Å; W409-L411 PolarHBondContact O-N 3.4Å; W409-L412 WeakPolarHBondContact O-CB 3.29Å; W409-L412 PolarHBondContact O-N 3.26Å; W409-V413 HydrophobicContact CD2-CG2 4.25Å; W409-V413 HydrophobicContact CE3-CG2 3.71Å; W409-V413 HydrophobicContact CH2-CG2 4.01Å; W409-V413 HydrophobicContact CZ3-CG2 3.58Å; W409-V413 WeakPolarHBondContact O-CG2 3.34Å; W409-V413 PolarHBondContact O-N 3.43Å
410	L	77.8	Confident	77.6	Confident	77 Å²	77	67 Å²	67	40%	0.403	33%	0.331	S	S	.	.	H	α-helix	trans	-61.6	-42.9	175	-178.4	144.9	0	0	0	111.8	F406 I407 L412 V413 L414	F406-L410 HydrophobicContact CE1-CD1 4.12Å; F406-L410 HydrophobicContact CZ-CD1 4.34Å; F406-L410 WeakPolarHBondContact O-CB 3.25Å; F406-L410 PolarHBondContact O-N 3.19Å; I407-L410 PolarHBondContact O-N 3.4Å; L410-L412 VanDerWaalsContact C-N 3.31Å; L410-L412 PolarHBondContact O-N 2.93Å; L410-V413 PolarHBondContact O-N 3.42Å; L410-L414 HydrophobicContact CD2-CD1 3.5Å; L410-L414 HydrophobicContact CD2-CG 4.38Å; L410-L414 HydrophobicContact CG-CD1 4.28Å; L410-L414 WeakPolarHBondContact O-CB 3.17Å; L410-L414 WeakPolarHBondContact O-CG 3.42Å; L410-L414 PolarHBondContact O-N 3.24Å
411	L	73.6	Confident	78	Confident	36 Å²	36	70.3 Å²	70.3	19%	0.188	35%	0.346	C	S	.	.	H	α-helix	trans	-60.3	-40.8	174.3	-72	167.4	0	0	0	111.7	L179 Y183 I407 W409 S415	L179-L411 HydrophobicContact CB-CD2 4Å; L179-L411 HydrophobicContact CD1-CD2 3.42Å; L179-L411 VanDerWaalsContact CD1-CD2 3.42Å; L179-L411 HydrophobicContact CD2-CD2 3.55Å; L179-L411 HydrophobicContact CG-CD2 3.87Å; Y183-L411 HydrophobicContact CD2-CD1 4.47Å; I407-L411 HydrophobicContact CG2-CD1 3.79Å; I407-L411 HydrophobicContact CG2-CG 4.23Å; I407-L411 WeakPolarHBondContact O-CB 3.38Å; I407-L411 WeakPolarHBondContact O-CG 3.08Å; I407-L411 PolarHBondContact O-N 2.88Å; W409-L411 PolarHBondContact O-N 3.4Å; L411-S415 WeakPolarHBondContact O-CB 3.3Å; L411-S415 PolarHBondContact O-N 2.88Å
412	L	72.8	Confident	78.4	Confident	20 Å²	20	64 Å²	64	11%	0.105	32%	0.316	C	S	.	.	H	α-helix	trans	-61.9	-52.6	176.3	-175.2	159.6	0	0	0	110.8	I137 L140 S408 W409 L410 L414 S415 L416	I137-L412 HydrophobicContact CG1-CB 4.35Å; I137-L412 HydrophobicContact CG1-CD1 4.03Å; L140-L412 HydrophobicContact CD1-CD1 4.26Å; L140-L412 HydrophobicContact CD1-CD2 4.16Å; L140-L412 HydrophobicContact CD2-CD2 4.18Å; L140-L412 HydrophobicContact CD2-CG 4.29Å; S408-L412 PolarHBondContact O-N 3.17Å; S408-L412 VanDerWaalsContact O-N 3.13Å; W409-L412 WeakPolarHBondContact O-CB 3.29Å; W409-L412 PolarHBondContact O-N 3.26Å; L410-L412 VanDerWaalsContact C-N 3.31Å; L410-L412 PolarHBondContact O-N 2.93Å; L412-L414 VanDerWaalsContact C-N 3.33Å; L412-L414 PolarHBondContact O-N 2.72Å; L412-S415 WeakPolarHBondContact O-CB 3.37Å; L412-S415 PolarHBondContact O-N 3.43Å; L412-S415 VanDerWaalsContact O-N 3.14Å; L412-S415 PolarHBondContact O-OG 2.78Å; L412-L416 HydrophobicContact CD2-CD1 3.64Å; L412-L416 HydrophobicContact CD2-CG 4.28Å; L412-L416 PolarHBondContact O-N 3.48Å; L412-L416 VanDerWaalsContact O-N 3.11Å
413	V	78.1	Confident	78.4	Confident	55 Å²	55	60 Å²	60	33%	0.333	30%	0.298	S	S	.	.	H	α-helix	trans	-59.1	-44.8	-179.8	173.4	0	0	0	0	111.3	W409 L410 S415 L416 V417	W409-V413 HydrophobicContact CD2-CG2 4.25Å; W409-V413 HydrophobicContact CE3-CG2 3.71Å; W409-V413 HydrophobicContact CH2-CG2 4.01Å; W409-V413 HydrophobicContact CZ3-CG2 3.58Å; W409-V413 WeakPolarHBondContact O-CG2 3.34Å; W409-V413 PolarHBondContact O-N 3.43Å; L410-V413 PolarHBondContact O-N 3.42Å; V413-S415 VanDerWaalsContact C-N 3.32Å; V413-S415 PolarHBondContact O-N 3.26Å; V413-L416 WeakPolarHBondContact O-CB 3.23Å; V413-L416 PolarHBondContact O-N 3.32Å; V413-V417 WeakPolarHBondContact O-CG2 3.46Å; V413-V417 PolarHBondContact O-N 2.96Å; V413-V417 VanDerWaalsContact O-N 3.08Å
414	L	75.6	Confident	79	Confident	70 Å²	70	60.7 Å²	60.7	37%	0.366	30%	0.303	S	S	.	.	H	α-helix	trans	-63.9	-38.1	177.9	-71.5	171.8	0	0	0	112.4	W175 L410 L412 L416 V417 I418	W175-L414 HydrophobicContact CH2-CB 3.45Å; W175-L414 VanDerWaalsContact CH2-CB 3.45Å; W175-L414 HydrophobicContact CZ2-CB 3.42Å; W175-L414 VanDerWaalsContact CZ2-CB 3.42Å; W175-L414 HydrophobicContact CZ2-CD1 4.09Å; W175-L414 HydrophobicContact CZ2-CG 4.33Å; L410-L414 HydrophobicContact CD2-CD1 3.5Å; L410-L414 HydrophobicContact CD2-CG 4.38Å; L410-L414 HydrophobicContact CG-CD1 4.28Å; L410-L414 WeakPolarHBondContact O-CB 3.17Å; L410-L414 WeakPolarHBondContact O-CG 3.42Å; L410-L414 PolarHBondContact O-N 3.24Å; L412-L414 VanDerWaalsContact C-N 3.33Å; L412-L414 PolarHBondContact O-N 2.72Å; L414-L416 VanDerWaalsContact C-N 3.27Å; L414-L416 PolarHBondContact O-N 3.31Å; L414-V417 PolarHBondContact O-N 2.86Å; L414-I418 WeakPolarHBondContact O-CG1 3.45Å; L414-I418 PolarHBondContact O-N 2.93Å
415	S	74.1	Confident	79.5	Confident	7 Å²	7	60 Å²	60	5%	0.049	30%	0.303	C	S	.	.	H	α-helix	trans	-61.8	-38.2	177.2	79.3	0	0	0	0	111.6	L411 L412 V413 I418 M419	L411-S415 WeakPolarHBondContact O-CB 3.3Å; L411-S415 PolarHBondContact O-N 2.88Å; L412-S415 WeakPolarHBondContact O-CB 3.37Å; L412-S415 PolarHBondContact O-N 3.43Å; L412-S415 VanDerWaalsContact O-N 3.14Å; L412-S415 PolarHBondContact O-OG 2.78Å; V413-S415 VanDerWaalsContact C-N 3.32Å; V413-S415 PolarHBondContact O-N 3.26Å; S415-I418 PolarHBondContact O-N 2.92Å; S415-M419 VanDerWaalsContact O-CG 3.31Å; S415-M419 WeakPolarHBondContact O-CG 3.36Å; S415-M419 PolarHBondContact O-N 3.04Å
416	L	74.5	Confident	80	Confident	35 Å²	35	56.2 Å²	56.2	18%	0.183	28%	0.276	C	S	.	.	H	α-helix	trans	-66.2	-49.1	176.7	-72	175	0	0	0	112.1	L140 Y144 L412 V413 L414 I418 M419 I420	L140-L416 HydrophobicContact CD2-CD1 4.06Å; L140-L416 HydrophobicContact CD2-CD2 3.48Å; L140-L416 VanDerWaalsContact CD2-CD2 3.48Å; L140-L416 HydrophobicContact CD2-CG 3.96Å; Y144-L416 HydrophobicContact CD1-CD2 4.48Å; Y144-L416 HydrophobicContact CD2-CD2 3.61Å; Y144-L416 HydrophobicContact CE1-CD2 4.14Å; Y144-L416 HydrophobicContact CE2-CD2 3.25Å; Y144-L416 HydrophobicContact CG-CD2 4.24Å; L412-L416 HydrophobicContact CD2-CD1 3.64Å; L412-L416 HydrophobicContact CD2-CG 4.28Å; L412-L416 PolarHBondContact O-N 3.48Å; L412-L416 VanDerWaalsContact O-N 3.11Å; V413-L416 WeakPolarHBondContact O-CB 3.23Å; V413-L416 PolarHBondContact O-N 3.32Å; L414-L416 VanDerWaalsContact C-N 3.27Å; L414-L416 PolarHBondContact O-N 3.31Å; L416-I418 PolarHBondContact O-N 3.28Å; L416-M419 PolarHBondContact O-N 3.23Å; L416-I420 WeakPolarHBondContact O-CG1 3.34Å; L416-I420 PolarHBondContact O-N 3.3Å
417	V	79.8	Confident	80.4	Confident	66 Å²	66	53.4 Å²	53.4	40%	0.4	27%	0.266	S	S	.	.	H	α-helix	trans	-57	-41.5	178.6	171.8	0	0	0	0	110.3	V413 L414 I420 Q421	V413-V417 WeakPolarHBondContact O-CG2 3.46Å; V413-V417 PolarHBondContact O-N 2.96Å; V413-V417 VanDerWaalsContact O-N 3.08Å; L414-V417 PolarHBondContact O-N 2.86Å; V417-I420 PolarHBondContact O-N 3.44Å; V417-Q421 VanDerWaalsContact O-CG 3.31Å; V417-Q421 WeakPolarHBondContact O-CG 3.26Å; V417-Q421 PolarHBondContact O-N 3.45Å
418	I	79.3	Confident	81.1	Confident	24 Å²	24	56.1 Å²	56.1	12%	0.123	28%	0.28	C	S	.	.	H	α-helix	trans	-67.5	-45.1	179	-70.5	167.6	0	0	0	111.3	Y172 W175 L414 S415 L416 I420 Q421 L422	Y172-I418 HydrophobicContact CD2-CG2 4.09Å; W175-I418 HydrophobicContact CD2-CD1 3.09Å; W175-I418 HydrophobicContact CE3-CD1 3.44Å; W175-I418 VanDerWaalsContact CE3-CD1 3.44Å; W175-I418 HydrophobicContact CG-CD1 3.58Å; W175-I418 HydrophobicContact CH2-CD1 3.66Å; W175-I418 HydrophobicContact CZ2-CD1 3.39Å; W175-I418 HydrophobicContact CZ3-CD1 3.7Å; L414-I418 WeakPolarHBondContact O-CG1 3.45Å; L414-I418 PolarHBondContact O-N 2.93Å; S415-I418 PolarHBondContact O-N 2.92Å; L416-I418 PolarHBondContact O-N 3.28Å; I418-I420 VanDerWaalsContact C-N 3.26Å; I418-I420 PolarHBondContact O-N 3.27Å; I418-Q421 CarbonylContact O-C 3.58Å; I418-Q421 WeakPolarHBondContact O-CA 3.23Å; I418-Q421 WeakPolarHBondContact O-CB 3.49Å; I418-Q421 PolarHBondContact O-N 2.86Å; I418-L422 HydrophobicContact CG2-CD1 4.18Å; I418-L422 HydrophobicContact CG2-CG 4.29Å; I418-L422 VanDerWaalsContact O-CG 3.3Å; I418-L422 WeakPolarHBondContact O-CG 3.22Å; I418-L422 PolarHBondContact O-N 3.42Å
419	M	79	Confident	81.9	Confident	17 Å²	17	55.7 Å²	55.7	8%	0.084	28%	0.276	C	S	.	.	H	α-helix	trans	-56.3	-43.4	177	-74	-60.9	-67	0	0	111.8	L168 Y172 S415 L416 L422 I423	L168-M419 HydrophobicContact CD2-CE 4.02Å; L168-M419 HydrophobicContact CD2-SD 3.7Å; Y172-M419 HydrophobicContact CD2-SD 3.96Å; Y172-M419 HydrophobicContact CE2-CG 4.25Å; Y172-M419 HydrophobicContact CE2-SD 3.96Å; S415-M419 VanDerWaalsContact O-CG 3.31Å; S415-M419 WeakPolarHBondContact O-CG 3.36Å; S415-M419 PolarHBondContact O-N 3.04Å; L416-M419 PolarHBondContact O-N 3.23Å; M419-L422 PolarHBondContact O-N 3.46Å; M419-L422 HydrophobicContact SD-CD1 4.06Å; M419-I423 WeakPolarHBondContact O-CG1 3.36Å; M419-I423 PolarHBondContact O-N 3.47Å
420	I	81.9	Confident	82.5	Confident	96 Å²	96	48.9 Å²	48.9	49%	0.492	25%	0.25	S	S	.	.	H	α-helix	trans	-61.3	-45.6	174.4	-66.2	166.4	0	0	0	110.8	L416 V417 I418 L422 I423 I424	L416-I420 WeakPolarHBondContact O-CG1 3.34Å; L416-I420 PolarHBondContact O-N 3.3Å; V417-I420 PolarHBondContact O-N 3.44Å; I418-I420 VanDerWaalsContact C-N 3.26Å; I418-I420 PolarHBondContact O-N 3.27Å; I420-L422 VanDerWaalsContact C-N 3.3Å; I420-L422 PolarHBondContact O-N 2.95Å; I420-I423 PolarHBondContact O-N 2.9Å; I420-I424 HydrophobicContact CG2-CD1 3.8Å; I420-I424 HydrophobicContact CG2-CG1 4.46Å; I420-I424 WeakPolarHBondContact O-CG1 3.49Å; I420-I424 PolarHBondContact O-N 3.44Å
421	Q	84.6	Confident	83.2	Confident	95 Å²	95	48.9 Å²	48.9	44%	0.444	25%	0.25	S	S	.	.	H	α-helix	trans	-60.1	-35.7	176.7	-73.1	176.6	-2.2	0	0	113.1	V417 I418 K425	V417-Q421 VanDerWaalsContact O-CG 3.31Å; V417-Q421 WeakPolarHBondContact O-CG 3.26Å; V417-Q421 PolarHBondContact O-N 3.45Å; I418-Q421 CarbonylContact O-C 3.58Å; I418-Q421 WeakPolarHBondContact O-CA 3.23Å; I418-Q421 WeakPolarHBondContact O-CB 3.49Å; I418-Q421 PolarHBondContact O-N 2.86Å; Q421-K425 WeakPolarHBondContact O-CB 3.5Å; Q421-K425 VanDerWaalsContact O-CG 3.32Å; Q421-K425 WeakPolarHBondContact O-CG 2.94Å; Q421-K425 PolarHBondContact O-N 3.26Å
422	L	86	Confident	84.2	Confident	4 Å²	4	48.5 Å²	48.5	2%	0.021	25%	0.251	C	S	.	.	H	α-helix	trans	-67.4	-42.4	177.8	-61.1	170.6	0	0	0	111.4	L168 Y171 Y172 I418 M419 I420 K425 A426	L168-L422 HydrophobicContact CD2-CD1 3.76Å; L168-L422 HydrophobicContact CG-CD1 4.49Å; Y171-L422 HydrophobicContact CD2-CD2 4.44Å; Y171-L422 HydrophobicContact CG-CD2 4.37Å; Y172-L422 HydrophobicContact CD2-CD1 4.4Å; I418-L422 HydrophobicContact CG2-CD1 4.18Å; I418-L422 HydrophobicContact CG2-CG 4.29Å; I418-L422 VanDerWaalsContact O-CG 3.3Å; I418-L422 WeakPolarHBondContact O-CG 3.22Å; I418-L422 PolarHBondContact O-N 3.42Å; M419-L422 PolarHBondContact O-N 3.46Å; M419-L422 HydrophobicContact SD-CD1 4.06Å; I420-L422 VanDerWaalsContact C-N 3.3Å; I420-L422 PolarHBondContact O-N 2.95Å; L422-K425 PolarHBondContact O-N 2.81Å; L422-A426 PolarHBondContact O-N 2.92Å
423	I	83.8	Confident	85.1	Confident	47 Å²	47	47.7 Å²	47.7	24%	0.241	25%	0.246	C	C	.	.	H	α-helix	trans	-61.5	-48	175.8	-64.6	168	0	0	0	109.9	I164 M419 I420 K425 A426 I427	I164-I423 HydrophobicContact CD1-CG1 3.9Å; M419-I423 WeakPolarHBondContact O-CG1 3.36Å; M419-I423 PolarHBondContact O-N 3.47Å; I420-I423 PolarHBondContact O-N 2.9Å; I423-K425 VanDerWaalsContact C-N 3.34Å; I423-K425 PolarHBondContact O-N 2.76Å; I423-A426 PolarHBondContact O-N 2.95Å; I423-I427 HydrophobicContact CG2-CD1 3.85Å; I423-I427 WeakPolarHBondContact O-CG1 3.46Å; I423-I427 PolarHBondContact O-N 3.39Å
424	I	87.5	Confident	85.8	Confident	86 Å²	86	47.3 Å²	47.3	44%	0.441	24%	0.242	S	C	.	.	H	α-helix	trans	-58.7	-46	177.5	-67.5	169.4	0	0	0	110.7	I420 A426 I427 I428	I420-I424 HydrophobicContact CG2-CD1 3.8Å; I420-I424 HydrophobicContact CG2-CG1 4.46Å; I420-I424 WeakPolarHBondContact O-CG1 3.49Å; I420-I424 PolarHBondContact O-N 3.44Å; I424-A426 VanDerWaalsContact C-N 3.33Å; I424-A426 PolarHBondContact O-N 3.43Å; I424-I427 PolarHBondContact O-N 3.35Å; I424-I428 HydrophobicContact CG2-CD1 3.59Å; I424-I428 HydrophobicContact CG2-CG1 4.25Å; I424-I428 VanDerWaalsContact O-CG1 3.31Å; I424-I428 WeakPolarHBondContact O-CG1 3.01Å; I424-I428 PolarHBondContact O-N 3.48Å
425	K	89.5	Confident	86.5	Confident	86 Å²	86	48.1 Å²	48.1	37%	0.374	25%	0.254	S	S	.	.	H	α-helix	trans	-60.2	-40.5	177.3	-79.7	178.4	177.5	178.3	0	112.5	Y167 Q421 L422 I423 F429	Y167-K425 HydrophobicContact CD1-CB 4.5Å; Y167-K425 HydrophobicContact CE1-CB 4.04Å; Y167-K425 HydrophobicContact CE1-CD 4.43Å; Y167-K425 PolarHBondContact OH-O 3.34Å; Q421-K425 WeakPolarHBondContact O-CB 3.5Å; Q421-K425 VanDerWaalsContact O-CG 3.32Å; Q421-K425 WeakPolarHBondContact O-CG 2.94Å; Q421-K425 PolarHBondContact O-N 3.26Å; L422-K425 PolarHBondContact O-N 2.81Å; I423-K425 VanDerWaalsContact C-N 3.34Å; I423-K425 PolarHBondContact O-N 2.76Å; K425-F429 VanDerWaalsContact O-CB 3.32Å; K425-F429 WeakPolarHBondContact O-CB 3.41Å; K425-F429 PolarHBondContact O-N 3.08Å
426	A	88.7	Confident	87.3	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-64.9	-43.6	177.2	0	0	0	0	0	111.8	I160 M163 I164 Y167 L422 I423 I424 F429 R430	I160-A426 HydrophobicContact CG2-CB 4.4Å; M163-A426 HydrophobicContact CB-CB 4.33Å; I164-A426 HydrophobicContact CG1-CB 3.82Å; Y167-A426 HydrophobicContact CD2-CB 4.21Å; Y167-A426 HydrophobicContact CE2-CB 4.07Å; L422-A426 PolarHBondContact O-N 2.92Å; I423-A426 PolarHBondContact O-N 2.95Å; I424-A426 VanDerWaalsContact C-N 3.33Å; I424-A426 PolarHBondContact O-N 3.43Å; A426-F429 PolarHBondContact O-N 3.36Å; A426-R430 WeakPolarHBondContact O-CB 3.24Å; A426-R430 PolarHBondContact O-N 3.44Å
427	I	89.6	Confident	87.9	Confident	66 Å²	66	55.3 Å²	55.3	34%	0.338	29%	0.285	S	S	.	.	H	α-helix	trans	-63.4	-49.4	177.1	-66.1	167.8	0	0	0	110.9	I160 I423 I424 F429 R430 N431	I160-I427 HydrophobicContact CD1-CG1 4.3Å; I160-I427 HydrophobicContact CG2-CG1 4.25Å; I423-I427 HydrophobicContact CG2-CD1 3.85Å; I423-I427 WeakPolarHBondContact O-CG1 3.46Å; I423-I427 PolarHBondContact O-N 3.39Å; I424-I427 PolarHBondContact O-N 3.35Å; I427-F429 VanDerWaalsContact C-N 3.32Å; I427-F429 PolarHBondContact O-N 2.84Å; I427-R430 PolarHBondContact O-N 2.99Å; I427-N431 WeakPolarHBondContact O-CB 2.89Å; I427-N431 PolarHBondContact O-N 3Å
428	I	91.9	Very high	88.2	Confident	96 Å²	96	56.5 Å²	56.5	49%	0.492	29%	0.292	S	S	.	.	H	α-helix	trans	-59.8	-44	179.4	-69.5	171.6	0	0	0	110.7	I424 N431 S432	I424-I428 HydrophobicContact CG2-CD1 3.59Å; I424-I428 HydrophobicContact CG2-CG1 4.25Å; I424-I428 VanDerWaalsContact O-CG1 3.31Å; I424-I428 WeakPolarHBondContact O-CG1 3.01Å; I424-I428 PolarHBondContact O-N 3.48Å; I428-N431 PolarHBondContact O-N 3.5Å; I428-S432 VanDerWaalsContact O-CB 3.24Å; I428-S432 WeakPolarHBondContact O-CB 3.38Å; I428-S432 PolarHBondContact O-N 2.9Å; I428-S432 PolarHBondContact O-OG 3.33Å
429	F	92.1	Very high	88.6	Confident	9 Å²	9	58.5 Å²	58.5	4%	0.039	30%	0.3	C	S	.	.	H	α-helix	trans	-62	-49.2	178.5	179.7	-89	0	0	0	111.4	M163 Y167 K425 A426 I427 N431 S432 W433 F439 R627 H628 M631	M163-F429 HydrophobicContact CE-CD1 3.23Å; M163-F429 HydrophobicContact CE-CE1 3.56Å; M163-F429 HydrophobicContact CE-CG 4.08Å; M163-F429 HydrophobicContact SD-CE1 4.46Å; Y167-F429 WeakPolarHBondContact OH-CB 3.28Å; K425-F429 VanDerWaalsContact O-CB 3.32Å; K425-F429 WeakPolarHBondContact O-CB 3.41Å; K425-F429 PolarHBondContact O-N 3.08Å; A426-F429 PolarHBondContact O-N 3.36Å; I427-F429 VanDerWaalsContact C-N 3.32Å; I427-F429 PolarHBondContact O-N 2.84Å; F429-N431 PolarHBondContact O-N 3.35Å; F429-S432 PolarHBondContact O-N 3.23Å; F429-W433 HydrophobicContact CE1-CB 4.47Å; F429-W433 VanDerWaalsContact O-CB 3.22Å; F429-W433 WeakPolarHBondContact O-CB 3.37Å; F429-W433 PolarHBondContact O-N 3.48Å; F429-F439 AromaticContact CD2-CE1 3.82Å; F429-F439 HydrophobicContact CD2-CE1 3.82Å; F429-F439 HydrophobicContact CD2-CZ 4.14Å; F429-F439 AromaticContact CE2-CE1 3.89Å; F429-F439 HydrophobicContact CE2-CE1 3.89Å; F429-F439 HydrophobicContact CE2-CZ 4.47Å; F429-R627 HydrophobicContact CE1-CB 4.04Å; F429-R627 HydrophobicContact CZ-CB 4.13Å; F429-H628 AromaticContact CZ-CE1 3.7Å; F429-H628 AromaticContact CZ-NE2 3.83Å; F429-M631 HydrophobicContact CE1-CG 3.97Å
430	R	92.2	Very high	89	Confident	35 Å²	35	58.7 Å²	58.7	13%	0.132	30%	0.302	C	S	.	.	H	α-helix	trans	-56.2	-52.1	177.7	176.7	-177.3	171.2	-84	2.1	111	N156 A426 I427 S432 W433 L434 M631 Y635	N156-R430 PolarHBondContact OD1-NH2 3.3Å; A426-R430 WeakPolarHBondContact O-CB 3.24Å; A426-R430 PolarHBondContact O-N 3.44Å; I427-R430 PolarHBondContact O-N 2.99Å; R430-S432 VanDerWaalsContact C-N 3.33Å; R430-S432 PolarHBondContact O-N 3.17Å; R430-W433 PolarHBondContact O-N 2.98Å; R430-L434 HydrophobicContact CG-CD1 3.88Å; R430-L434 VanDerWaalsContact O-CG 3.31Å; R430-L434 WeakPolarHBondContact O-CG 3.35Å; R430-L434 PolarHBondContact O-N 3.19Å; R430-M631 HydrophobicContact CG-CE 4.12Å; R430-M631 HydrophobicContact CG-SD 4.32Å; R430-Y635 PolarHBondContact NH2-OH 2.87Å
431	N	92.8	Very high	89.4	Confident	76 Å²	76	55 Å²	55	41%	0.406	28%	0.283	S	S	.	.	H	α-helix	trans	-65.1	-38.7	-176.6	-68.4	-5.1	0	0	0	111.6	I427 I428 F429 S435	I427-N431 WeakPolarHBondContact O-CB 2.89Å; I427-N431 PolarHBondContact O-N 3Å; I428-N431 PolarHBondContact O-N 3.5Å; F429-N431 PolarHBondContact O-N 3.35Å; N431-S435 VanDerWaalsContact O-CB 3.24Å; N431-S435 WeakPolarHBondContact O-CB 3.18Å; N431-S435 PolarHBondContact O-N 2.73Å; N431-S435 PolarHBondContact O-OG 3.3Å
432	S	93.2	Very high	89.6	Confident	29 Å²	29	50.8 Å²	50.8	20%	0.203	26%	0.264	C	S	.	.	H	α-helix	trans	-67.7	-39.5	176.2	-58.7	0	0	0	0	112	I428 F429 R430 L434 S435 K436	I428-S432 VanDerWaalsContact O-CB 3.24Å; I428-S432 WeakPolarHBondContact O-CB 3.38Å; I428-S432 PolarHBondContact O-N 2.9Å; I428-S432 PolarHBondContact O-OG 3.33Å; F429-S432 PolarHBondContact O-N 3.23Å; R430-S432 VanDerWaalsContact C-N 3.33Å; R430-S432 PolarHBondContact O-N 3.17Å; S432-L434 VanDerWaalsContact C-N 3.34Å; S432-S435 PolarHBondContact O-OG 3.27Å; S432-K436 PolarHBondContact O-N 3.45Å
433	W	93.4	Very high	89.8	Confident	3 Å²	3	51.3 Å²	51.3	1%	0.011	27%	0.266	C	S	.	.	H	α-helix	trans	-66.9	-35.9	178.8	-170.2	103.6	0	0	0	112.3	F429 R430 F439 H628 M631 I638 R642	F429-W433 HydrophobicContact CE1-CB 4.47Å; F429-W433 VanDerWaalsContact O-CB 3.22Å; F429-W433 WeakPolarHBondContact O-CB 3.37Å; F429-W433 PolarHBondContact O-N 3.48Å; R430-W433 PolarHBondContact O-N 2.98Å; W433-F439 HydrophobicContact CB-CD1 4.32Å; W433-H628 AromaticContact CD1-CE1 3.94Å; W433-H628 AromaticContact CD1-ND1 3.74Å; W433-H628 AromaticContact NE1-CE1 3.98Å; W433-H628 AromaticContact NE1-ND1 3.39Å; W433-H628 PolarHBondContact NE1-ND1 3.46Å; W433-M631 HydrophobicContact CB-CE 4.27Å; W433-M631 HydrophobicContact CD2-CB 3.92Å; W433-M631 HydrophobicContact CD2-CE 3.73Å; W433-M631 HydrophobicContact CD2-CG 4.15Å; W433-M631 HydrophobicContact CE3-CB 4.2Å; W433-M631 HydrophobicContact CE3-CE 3.25Å; W433-M631 HydrophobicContact CG-CB 4.48Å; W433-M631 HydrophobicContact CG-CE 4.17Å; W433-M631 HydrophobicContact CG-CG 4.29Å; W433-M631 HydrophobicContact CH2-CB 4.09Å; W433-M631 HydrophobicContact CZ2-CB 3.8Å; W433-M631 HydrophobicContact CZ3-CB 4.28Å; W433-M631 HydrophobicContact CZ3-CE 3.81Å; W433-I638 HydrophobicContact CE3-CG2 4.17Å; W433-I638 HydrophobicContact CH2-CB 4.19Å; W433-I638 HydrophobicContact CH2-CG2 3.95Å; W433-I638 HydrophobicContact CZ3-CB 3.87Å; W433-I638 HydrophobicContact CZ3-CG2 3.52Å; W433-R642 VanDerWaalsContact NE1-CZ 3.29Å; W433-R642 PolarHBondContact O-NH1 3.36Å; W433-R642 VanDerWaalsContact O-NH1 3.09Å
434	L	91.9	Very high	90.1	Very high	47 Å²	47	49.4 Å²	49.4	25%	0.246	26%	0.256	C	S	.	.	H	α-helix	trans	-79	-39	176.9	-67.4	172.6	0	0	0	113.1	R430 S432 M631 Y635 I638	R430-L434 HydrophobicContact CG-CD1 3.88Å; R430-L434 VanDerWaalsContact O-CG 3.31Å; R430-L434 WeakPolarHBondContact O-CG 3.35Å; R430-L434 PolarHBondContact O-N 3.19Å; S432-L434 VanDerWaalsContact C-N 3.34Å; L434-M631 HydrophobicContact CD2-CE 4.01Å; L434-M631 HydrophobicContact CG-CE 3.98Å; L434-Y635 HydrophobicContact CD1-CE2 4.28Å; L434-Y635 HydrophobicContact CD2-CD1 4.01Å; L434-Y635 HydrophobicContact CD2-CD2 3.83Å; L434-Y635 HydrophobicContact CD2-CE1 4.26Å; L434-Y635 HydrophobicContact CD2-CE2 4.05Å; L434-Y635 HydrophobicContact CD2-CG 3.8Å; L434-I638 HydrophobicContact CD2-CD1 3.32Å
435	S	91	Very high	90.1	Very high	87 Å²	87	46 Å²	46	61%	0.608	24%	0.239	S	C	*	.	H	α-helix	trans	-80.5	-34.8	-175.7	57.5	0	0	0	0	113.8	N431 S432	N431-S435 VanDerWaalsContact O-CB 3.24Å; N431-S435 WeakPolarHBondContact O-CB 3.18Å; N431-S435 PolarHBondContact O-N 2.73Å; N431-S435 PolarHBondContact O-OG 3.3Å; S432-S435 PolarHBondContact O-OG 3.27Å
436	K	89.9	Confident	90	Very high	130 Å²	130	44.9 Å²	44.9	57%	0.565	24%	0.242	S	C	*	.			trans	-120.6	108.5	-173.8	-66.7	179.1	-178.1	179.7	0	110.8	S432 T438 F439	S432-K436 PolarHBondContact O-N 3.45Å; K436-T438 PolarHBondContact O-N 2.83Å; K436-F439 HydrophobicContact CB-CB 3.85Å; K436-F439 VanDerWaalsContact O-CB 3.31Å; K436-F439 WeakPolarHBondContact O-CB 3.48Å; K436-F439 PolarHBondContact O-N 3.35Å
437	I	87.6	Confident	89.9	Confident	63 Å²	63	46 Å²	46	32%	0.323	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-28.8	175.4	-63.7	173	0	0	0	111.6	F439 N441 R642 W645	I437-F439 VanDerWaalsContact C-N 3.32Å; I437-N441 VanDerWaalsContact O-CB 3.26Å; I437-N441 WeakPolarHBondContact O-CB 3.31Å; I437-N441 PolarHBondContact O-ND2 2.9Å; I437-R642 HydrophobicContact CG2-CG 4Å; I437-W645 HydrophobicContact CG2-CB 3.59Å; I437-W645 HydrophobicContact CG2-CD2 4.2Å; I437-W645 HydrophobicContact CG2-CG 3.65Å
438	T	86	Confident	89.9	Confident	90 Å²	90	42.8 Å²	42.8	55%	0.552	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-15.4	178.2	60	0	0	0	0	113.7	K436 D440 W645	K436-T438 PolarHBondContact O-N 2.83Å; T438-D440 PolarHBondContact O-N 2.91Å; T438-W645 HydrophobicContact CG2-CH2 4.38Å; T438-W645 HydrophobicContact CG2-CZ2 3.62Å
439	F	88.8	Confident	89.7	Confident	66 Å²	66	38.6 Å²	38.6	29%	0.289	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	115.2	-173.9	175.4	-99	0	0	0	111.9	F429 W433 K436 I437 N441 R642	F429-F439 AromaticContact CD2-CE1 3.82Å; F429-F439 HydrophobicContact CD2-CE1 3.82Å; F429-F439 HydrophobicContact CD2-CZ 4.14Å; F429-F439 AromaticContact CE2-CE1 3.89Å; F429-F439 HydrophobicContact CE2-CE1 3.89Å; F429-F439 HydrophobicContact CE2-CZ 4.47Å; W433-F439 HydrophobicContact CB-CD1 4.32Å; K436-F439 HydrophobicContact CB-CB 3.85Å; K436-F439 VanDerWaalsContact O-CB 3.31Å; K436-F439 WeakPolarHBondContact O-CB 3.48Å; K436-F439 PolarHBondContact O-N 3.35Å; I437-F439 VanDerWaalsContact C-N 3.32Å; F439-N441 PolarHBondContact O-N 2.9Å; F439-N441 VanDerWaalsContact O-N 3.12Å; F439-R642 PolarHBondContact O-NH1 3.45Å; F439-R642 PolarHBondContact O-NH2 3.47Å
440	D	86.6	Confident	89.5	Confident	22 Å²	22	43.6 Å²	43.6	12%	0.118	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	30.1	178	-152.6	30.9	0	0	0	113.9	T438 S442 K489 H628	T438-D440 PolarHBondContact O-N 2.91Å; D440-S442 VanDerWaalsContact C-N 3.28Å; D440-S442 PolarHBondContact O-N 3.43Å; D440-S442 VanDerWaalsContact O-N 3.11Å; D440-K489 VanDerWaalsContact CG-NZ 3.29Å; D440-K489 IonicContact OD1-NZ 3.92Å; D440-K489 PolarHBondContact OD1-NZ 3.29Å; D440-K489 IonicContact OD2-NZ 4Å; D440-H628 IonicContact OD2-CE1 2.68Å; D440-H628 PolarHBondContact OD2-CE1 2.93Å; D440-H628 IonicContact OD2-NE2 3.7Å; D440-H628 PolarHBondContact OD2-NE2 3.4Å
441	N	89.8	Confident	89.2	Confident	17 Å²	17	43.3 Å²	43.3	9%	0.091	23%	0.233	C	C	.	.			trans	-88.7	63.3	-178.3	-161.2	20	0	0	0	111.5	I437 F439 R642 W645 L646	I437-N441 VanDerWaalsContact O-CB 3.26Å; I437-N441 WeakPolarHBondContact O-CB 3.31Å; I437-N441 PolarHBondContact O-ND2 2.9Å; F439-N441 PolarHBondContact O-N 2.9Å; F439-N441 VanDerWaalsContact O-N 3.12Å; N441-R642 PolarHBondContact ND2-O 3.33Å; N441-W645 HydrophobicContact CB-CE3 4.24Å; N441-W645 HydrophobicContact CB-CZ3 3.94Å; N441-L646 WeakPolarHBondContact O-CD1 3.45Å
442	S	88.6	Confident	89	Confident	7 Å²	7	39.7 Å²	39.7	5%	0.049	21%	0.214	C	C	.	.			trans	-114.9	-0	178.7	61.1	0	0	0	0	113.4	D440 Y474 K475	D440-S442 VanDerWaalsContact C-N 3.28Å; D440-S442 PolarHBondContact O-N 3.43Å; D440-S442 VanDerWaalsContact O-N 3.11Å; S442-Y474 WeakPolarHBondContact O-CA 3.05Å; S442-K475 PolarHBondContact O-N 2.82Å
443	Y	90.7	Very high	88.6	Confident	15 Å²	15	42.4 Å²	42.4	6%	0.059	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	133.4	-175.7	-60	-78.8	0	0	0	111.4	K475 L477 E486 R625 H628 L646	Y443-K475 VanDerWaalsContact CA-O 3.32Å; Y443-K475 WeakPolarHBondContact CA-O 3.44Å; Y443-L477 HydrophobicContact CD1-CD2 3.6Å; Y443-L477 HydrophobicContact CD1-CG 4.34Å; Y443-L477 HydrophobicContact CD2-CD2 4.38Å; Y443-L477 HydrophobicContact CE1-CD2 4.17Å; Y443-L477 HydrophobicContact CG-CD2 3.7Å; Y443-L477 HydrophobicContact CG-CG 4.38Å; Y443-E486 VanDerWaalsContact CE1-OE1 3.25Å; Y443-E486 WeakPolarHBondContact CE1-OE1 3.13Å; Y443-E486 PolarHBondContact OH-OE1 2.81Å; Y443-R625 HydrophobicContact CE1-CG 4.08Å; Y443-H628 AromaticContact CD2-CD2 3.89Å; Y443-H628 AromaticContact CD2-NE2 3.83Å; Y443-H628 AromaticContact CE2-CD2 3.46Å; Y443-H628 VanDerWaalsContact CE2-CD2 3.46Å; Y443-H628 WeakPolarHBondContact CE2-CD2 3.5Å; Y443-H628 AromaticContact CE2-CE1 3.82Å; Y443-H628 AromaticContact CE2-NE2 3.24Å; Y443-H628 WeakPolarHBondContact CE2-NE2 3.37Å; Y443-L646 WeakPolarHBondContact O-CD2 3.41Å
444	I	90	Very high	88.3	Confident	7 Å²	7	47.8 Å²	47.8	4%	0.036	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	120.8	167.7	-55.3	174.9	0	0	0	106.2	Y448 I449 F464 L466 K475 M476	I444-Y448 HydrophobicContact CG2-CD1 3.54Å; I444-Y448 HydrophobicContact CG2-CE1 4.01Å; I444-Y448 HydrophobicContact CG2-CG 4.29Å; I444-I449 HydrophobicContact CG2-CG1 4.26Å; I444-F464 HydrophobicContact CG2-CZ 4.46Å; I444-L466 HydrophobicContact CD1-CD1 3.55Å; I444-K475 PolarHBondContact N-O 3.23Å; I444-M476 HydrophobicContact CB-CE 4.01Å; I444-M476 HydrophobicContact CB-SD 4.29Å; I444-M476 HydrophobicContact CG2-CE 3.5Å; I444-M476 HydrophobicContact CG2-SD 4.25Å
445	T	88.6	Confident	88	Confident	14 Å²	14	46 Å²	46	9%	0.086	24%	0.239	C	C	.	.			trans	-106.7	171.7	-179.5	71.9	0	0	0	0	111.7	E447 Y448 I449 L477 I632	T445-E447 VanDerWaalsContact C-N 3.26Å; T445-E447 WeakPolarHBondContact CB-OE2 3.19Å; T445-E447 PolarHBondContact O-N 2.8Å; T445-E447 PolarHBondContact OG1-N 2.72Å; T445-E447 PolarHBondContact OG1-OE2 3.29Å; T445-Y448 PolarHBondContact O-N 3.31Å; T445-Y448 PolarHBondContact OG1-N 3.27Å; T445-I449 PolarHBondContact O-N 2.9Å; T445-I449 VanDerWaalsContact O-N 3.16Å; T445-L477 HydrophobicContact CG2-CD1 4.33Å; T445-I632 HydrophobicContact CG2-CD1 3.64Å
446	S	86.8	Confident	87.6	Confident	63 Å²	63	42.3 Å²	42.3	44%	0.441	21%	0.212	S	C	.	.	H	α-helix	trans	-56.5	-41	171.4	31	0	0	0	0	112.4	I449 Q450	S446-I449 PolarHBondContact O-N 2.84Å; S446-Q450 WeakPolarHBondContact O-CG 3.35Å; S446-Q450 PolarHBondContact O-N 3.04Å
447	E	86.3	Confident	87.2	Confident	23 Å²	23	42.3 Å²	42.3	11%	0.107	22%	0.217	C	C	.	.	H	α-helix	trans	-66.2	-40.3	-179.6	-59.3	71.1	-133.9	0	0	110.9	T445 I449 Q450 Q451 S639 N640 A643	T445-E447 VanDerWaalsContact C-N 3.26Å; T445-E447 WeakPolarHBondContact CB-OE2 3.19Å; T445-E447 PolarHBondContact O-N 2.8Å; T445-E447 PolarHBondContact OG1-N 2.72Å; T445-E447 PolarHBondContact OG1-OE2 3.29Å; E447-I449 PolarHBondContact O-N 2.92Å; E447-Q450 PolarHBondContact O-N 3.26Å; E447-Q451 WeakPolarHBondContact O-CG 3.48Å; E447-Q451 PolarHBondContact O-N 2.74Å; E447-S639 PolarHBondContact OE2-OG 3.08Å; E447-N640 VanDerWaalsContact CB-OD1 3.25Å; E447-N640 WeakPolarHBondContact CB-OD1 3.45Å; E447-N640 WeakPolarHBondContact CG-OD1 3.45Å; E447-A643 HydrophobicContact CB-CB 4.32Å
448	Y	89.2	Confident	87	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.5	-44.9	174.8	179.6	-86.9	0	0	0	112	I444 T445 Q450 Q451 E452 T463 F464 A643 L646 R647 I650	I444-Y448 HydrophobicContact CG2-CD1 3.54Å; I444-Y448 HydrophobicContact CG2-CE1 4.01Å; I444-Y448 HydrophobicContact CG2-CG 4.29Å; T445-Y448 PolarHBondContact O-N 3.31Å; T445-Y448 PolarHBondContact OG1-N 3.27Å; Y448-Q450 PolarHBondContact O-N 3.07Å; Y448-Q451 PolarHBondContact O-N 2.83Å; Y448-E452 HydrophobicContact CD1-CG 4.1Å; Y448-E452 HydrophobicContact CE1-CG 3.75Å; Y448-E452 PolarHBondContact O-N 2.99Å; Y448-T463 WeakPolarHBondContact OH-CB 3.43Å; Y448-T463 PolarHBondContact OH-OG1 2.84Å; Y448-F464 HydrophobicContact CD1-CE2 4.3Å; Y448-F464 AromaticContact CE1-CE2 3.64Å; Y448-F464 HydrophobicContact CE1-CE2 3.64Å; Y448-F464 AromaticContact CE1-CZ 3.87Å; Y448-F464 HydrophobicContact CE1-CZ 3.87Å; Y448-A643 HydrophobicContact CD2-CB 4.45Å; Y448-L646 HydrophobicContact CD2-CB 4.39Å; Y448-L646 HydrophobicContact CD2-CD2 4.14Å; Y448-L646 HydrophobicContact CD2-CG 4.37Å; Y448-L646 HydrophobicContact CE2-CB 4.33Å; Y448-L646 HydrophobicContact CE2-CD2 4.18Å; Y448-L646 HydrophobicContact CE2-CG 4.07Å; Y448-R647 HydrophobicContact CE2-CB 3.97Å; Y448-I650 WeakPolarHBondContact OH-CD1 3.48Å
449	I	88.8	Confident	86.6	Confident	8 Å²	8	43 Å²	43	4%	0.041	22%	0.221	C	C	.	.	H	α-helix	trans	-60.7	-45.3	176.7	-68.5	166.5	0	0	0	111.2	I58 Q62 I444 T445 S446 E447 Q451 E452 K453 M476	I58-I449 HydrophobicContact CG2-CG2 3.53Å; Q62-I449 HydrophobicContact CG-CG2 4.34Å; I444-I449 HydrophobicContact CG2-CG1 4.26Å; T445-I449 PolarHBondContact O-N 2.9Å; T445-I449 VanDerWaalsContact O-N 3.16Å; S446-I449 PolarHBondContact O-N 2.84Å; E447-I449 PolarHBondContact O-N 2.92Å; I449-Q451 VanDerWaalsContact C-N 3.33Å; I449-Q451 PolarHBondContact O-N 3.16Å; I449-E452 PolarHBondContact O-N 2.91Å; I449-K453 PolarHBondContact O-N 2.92Å; I449-M476 HydrophobicContact CD1-CE 3.23Å; I449-M476 HydrophobicContact CD1-SD 4.16Å; I449-M476 HydrophobicContact CG1-CE 3.94Å
450	Q	86.6	Confident	86.2	Confident	113 Å²	113	43.6 Å²	43.6	53%	0.528	23%	0.227	S	C	.	.	H	α-helix	trans	-60.7	-44.7	-179.7	-74.2	174.3	-0.7	0	0	111.5	S446 E447 Y448 K453 Q454	S446-Q450 WeakPolarHBondContact O-CG 3.35Å; S446-Q450 PolarHBondContact O-N 3.04Å; E447-Q450 PolarHBondContact O-N 3.26Å; Y448-Q450 PolarHBondContact O-N 3.07Å; Q450-K453 WeakPolarHBondContact O-CB 3.32Å; Q450-K453 PolarHBondContact O-N 3.3Å; Q450-Q454 WeakPolarHBondContact O-CG 3.23Å; Q450-Q454 PolarHBondContact O-N 2.89Å; Q450-Q454 VanDerWaalsContact O-N 3.12Å
451	Q	86.9	Confident	85.9	Confident	29 Å²	29	47.2 Å²	47.2	14%	0.136	25%	0.252	C	S	.	.	H	α-helix	trans	-68.5	-37.3	178.1	-68.7	176.1	9.6	0	0	112.2	E447 Y448 I449 K453 Q454 V455 N640	E447-Q451 WeakPolarHBondContact O-CG 3.48Å; E447-Q451 PolarHBondContact O-N 2.74Å; Y448-Q451 PolarHBondContact O-N 2.83Å; I449-Q451 VanDerWaalsContact C-N 3.33Å; I449-Q451 PolarHBondContact O-N 3.16Å; Q451-K453 VanDerWaalsContact C-N 3.31Å; Q451-K453 PolarHBondContact O-N 3.41Å; Q451-Q454 PolarHBondContact O-N 3.4Å; Q451-V455 VanDerWaalsContact O-CG2 3.3Å; Q451-V455 WeakPolarHBondContact O-CG2 3.38Å; Q451-V455 PolarHBondContact O-N 3.02Å; Q451-N640 PolarHBondContact NE2-O 3.46Å
452	E	88	Confident	85.6	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.1	-39.4	172.9	-81.9	-70.9	144	0	0	112.1	I58 Y448 I449 Q454 V455 I456 S462 T463 F464 R647	I58-E452 HydrophobicContact CD1-CB 4.26Å; Y448-E452 HydrophobicContact CD1-CG 4.1Å; Y448-E452 HydrophobicContact CE1-CG 3.75Å; Y448-E452 PolarHBondContact O-N 2.99Å; I449-E452 PolarHBondContact O-N 2.91Å; E452-Q454 VanDerWaalsContact C-N 3.33Å; E452-Q454 PolarHBondContact O-N 3.35Å; E452-V455 PolarHBondContact O-N 3.2Å; E452-I456 WeakPolarHBondContact O-CD1 3.45Å; E452-I456 VanDerWaalsContact O-CG1 3.28Å; E452-I456 WeakPolarHBondContact O-CG1 3.46Å; E452-I456 PolarHBondContact O-N 3.39Å; E452-S462 WeakPolarHBondContact OE2-CB 3.48Å; E452-S462 PolarHBondContact OE2-OG 3.18Å; E452-T463 PolarHBondContact OE1-OG1 3.16Å; E452-T463 PolarHBondContact OE2-N 3.11Å; E452-T463 PolarHBondContact OE2-OG1 3.03Å; E452-F464 HydrophobicContact CB-CD2 4.24Å; E452-F464 HydrophobicContact CB-CE2 4.2Å; E452-F464 HydrophobicContact CG-CD2 3.99Å; E452-F464 HydrophobicContact CG-CE2 3.84Å; E452-R647 WeakPolarHBondContact OE1-CD 2.96Å; E452-R647 WeakPolarHBondContact OE1-CG 3.43Å; E452-R647 IonicContact OE1-CZ 3.41Å; E452-R647 IonicContact OE1-NE 2.84Å; E452-R647 PolarHBondContact OE1-NE 3.36Å
453	K	86	Confident	85.4	Confident	87 Å²	87	47.3 Å²	47.3	38%	0.378	25%	0.254	S	S	.	.	H	α-helix	trans	-60.6	-43.6	174.2	-172.8	177.1	179	178.2	0	111.3	I449 Q450 Q451 I456 L457	I449-K453 PolarHBondContact O-N 2.92Å; Q450-K453 WeakPolarHBondContact O-CB 3.32Å; Q450-K453 PolarHBondContact O-N 3.3Å; Q451-K453 VanDerWaalsContact C-N 3.31Å; Q451-K453 PolarHBondContact O-N 3.41Å; K453-I456 PolarHBondContact O-N 3.11Å; K453-L457 HydrophobicContact CG-CD1 4.41Å; K453-L457 VanDerWaalsContact O-CG 3.28Å; K453-L457 WeakPolarHBondContact O-CG 3.48Å; K453-L457 PolarHBondContact O-N 3.46Å; K453-L457 VanDerWaalsContact O-N 3.09Å
454	Q	86.6	Confident	85.1	Confident	116 Å²	116	47.5 Å²	47.5	54%	0.542	26%	0.255	S	S	.	.	H	α-helix	trans	-62.9	-43.8	176.8	-70.7	172.7	-14.8	0	0	112.1	Q450 Q451 E452 I456 L457 Q458	Q450-Q454 WeakPolarHBondContact O-CG 3.23Å; Q450-Q454 PolarHBondContact O-N 2.89Å; Q450-Q454 VanDerWaalsContact O-N 3.12Å; Q451-Q454 PolarHBondContact O-N 3.4Å; E452-Q454 VanDerWaalsContact C-N 3.33Å; E452-Q454 PolarHBondContact O-N 3.35Å; Q454-I456 PolarHBondContact O-N 3.4Å; Q454-L457 PolarHBondContact O-N 3.06Å; Q454-Q458 WeakPolarHBondContact O-CB 3.37Å; Q454-Q458 VanDerWaalsContact O-CG 3.3Å; Q454-Q458 WeakPolarHBondContact O-CG 3.14Å; Q454-Q458 PolarHBondContact O-N 2.97Å
455	V	84.5	Confident	84.8	Confident	10 Å²	10	51.3 Å²	51.3	6%	0.061	28%	0.28	C	S	.	.	H	α-helix	trans	-60.2	-42.9	176.9	162.9	0	0	0	0	111.6	Q451 E452 Q458 G459 I460	Q451-V455 VanDerWaalsContact O-CG2 3.3Å; Q451-V455 WeakPolarHBondContact O-CG2 3.38Å; Q451-V455 PolarHBondContact O-N 3.02Å; E452-V455 PolarHBondContact O-N 3.2Å; V455-Q458 CarbonylContact O-C 3.58Å; V455-Q458 PolarHBondContact O-N 3.22Å; V455-G459 PolarHBondContact O-N 3.17Å; V455-G459 VanDerWaalsContact O-N 3.12Å; V455-I460 HydrophobicContact CB-CB 4.43Å; V455-I460 HydrophobicContact CG1-CB 3.63Å; V455-I460 HydrophobicContact CG1-CG2 3.69Å; V455-I460 PolarHBondContact O-N 3.35Å
456	I	82.7	Confident	84.6	Confident	8 Å²	8	52.4 Å²	52.4	4%	0.041	29%	0.285	C	S	.	.	H	α-helix	trans	-64.6	-41.5	177	-67.3	161.8	0	0	0	111.2	R51 L55 I58 E452 K453 Q454 Q458 G459	R51-I456 HydrophobicContact CB-CG2 4.08Å; R51-I456 HydrophobicContact CG-CG2 4.16Å; L55-I456 HydrophobicContact CD1-CB 4.2Å; L55-I456 HydrophobicContact CD1-CG2 3.6Å; I58-I456 HydrophobicContact CD1-CD1 3.23Å; E452-I456 WeakPolarHBondContact O-CD1 3.45Å; E452-I456 VanDerWaalsContact O-CG1 3.28Å; E452-I456 WeakPolarHBondContact O-CG1 3.46Å; E452-I456 PolarHBondContact O-N 3.39Å; K453-I456 PolarHBondContact O-N 3.11Å; Q454-I456 PolarHBondContact O-N 3.4Å; I456-Q458 VanDerWaalsContact C-N 3.29Å; I456-Q458 PolarHBondContact O-N 3.02Å; I456-G459 PolarHBondContact O-N 3.47Å
457	L	81.2	Confident	84.5	Confident	130 Å²	130	52.8 Å²	52.8	68%	0.681	29%	0.285	S	S	*	.	H	α-helix	trans	-64.5	-34.4	176	-68.8	170.3	0	0	0	112	K453 Q454 G459	K453-L457 HydrophobicContact CG-CD1 4.41Å; K453-L457 VanDerWaalsContact O-CG 3.28Å; K453-L457 WeakPolarHBondContact O-CG 3.48Å; K453-L457 PolarHBondContact O-N 3.46Å; K453-L457 VanDerWaalsContact O-N 3.09Å; Q454-L457 PolarHBondContact O-N 3.06Å; L457-G459 VanDerWaalsContact C-N 3.26Å; L457-G459 PolarHBondContact O-N 2.85Å
458	Q	84.5	Confident	84.4	Confident	134 Å²	134	57.8 Å²	57.8	63%	0.626	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-3.4	176.2	-70.2	171.3	-11.7	0	0	113.5	Q454 V455 I456 I460	Q454-Q458 WeakPolarHBondContact O-CB 3.37Å; Q454-Q458 VanDerWaalsContact O-CG 3.3Å; Q454-Q458 WeakPolarHBondContact O-CG 3.14Å; Q454-Q458 PolarHBondContact O-N 2.97Å; V455-Q458 CarbonylContact O-C 3.58Å; V455-Q458 PolarHBondContact O-N 3.22Å; I456-Q458 VanDerWaalsContact C-N 3.29Å; I456-Q458 PolarHBondContact O-N 3.02Å; Q458-I460 HydrophobicContact CB-CD1 3.98Å; Q458-I460 HydrophobicContact CB-CG1 4.09Å; Q458-I460 PolarHBondContact O-N 3.49Å
459	G	77.2	Confident	84.1	Confident	33 Å²	33	63.1 Å²	63.1	34%	0.34	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.6	8.9	-179.3	0	0	0	0	0	115.4	R51 V455 I456 L457	R51-G459 VanDerWaalsContact NH2-CA 3.35Å; V455-G459 PolarHBondContact O-N 3.17Å; V455-G459 VanDerWaalsContact O-N 3.12Å; I456-G459 PolarHBondContact O-N 3.47Å; L457-G459 VanDerWaalsContact C-N 3.26Å; L457-G459 PolarHBondContact O-N 2.85Å
460	I	79.8	Confident	84.1	Confident	79 Å²	79	64 Å²	64	41%	0.405	34%	0.34	S	S	.	.			trans	-74.4	148.4	176.9	-61	170.4	0	0	0	109.1	V455 Q458 S462	V455-I460 HydrophobicContact CB-CB 4.43Å; V455-I460 HydrophobicContact CG1-CB 3.63Å; V455-I460 HydrophobicContact CG1-CG2 3.69Å; V455-I460 PolarHBondContact O-N 3.35Å; Q458-I460 HydrophobicContact CB-CD1 3.98Å; Q458-I460 HydrophobicContact CB-CG1 4.09Å; Q458-I460 PolarHBondContact O-N 3.49Å; I460-S462 PolarHBondContact O-N 2.71Å; I460-S462 VanDerWaalsContact O-N 3.11Å
461	P	80.6	Confident	84.1	Confident	98 Å²	98	60.2 Å²	60.2	64%	0.636	33%	0.327	S	S	*	.			trans	-57.7	115.9	178.2	21.8	-35.4	0	0	0	112.8	Q651	P461-Q651 PolarHBondContact O-NE2 3.24Å
462	S	83.5	Confident	84.1	Confident	27 Å²	27	63.8 Å²	63.8	19%	0.189	34%	0.342	C	S	.	.			trans	-75.8	152.3	175.5	177.4	0	0	0	0	112.1	E452 I460 F464	E452-S462 WeakPolarHBondContact OE2-CB 3.48Å; E452-S462 PolarHBondContact OE2-OG 3.18Å; I460-S462 PolarHBondContact O-N 2.71Å; I460-S462 VanDerWaalsContact O-N 3.11Å; S462-F464 VanDerWaalsContact C-N 3.33Å; S462-F464 PolarHBondContact OG-N 3.46Å
463	T	84.8	Confident	84.1	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	36%	0.359	C	S	.	.			trans	-80.1	-13.3	170.4	54.8	0	0	0	0	112.9	Y448 E452 P465 R647 I650 Q651 R654	Y448-T463 WeakPolarHBondContact OH-CB 3.43Å; Y448-T463 PolarHBondContact OH-OG1 2.84Å; E452-T463 PolarHBondContact OE1-OG1 3.16Å; E452-T463 PolarHBondContact OE2-N 3.11Å; E452-T463 PolarHBondContact OE2-OG1 3.03Å; T463-P465 CarbonylContact O-C 3.57Å; T463-R647 HydrophobicContact CG2-CG 3.84Å; T463-I650 HydrophobicContact CG2-CB 4.13Å; T463-I650 HydrophobicContact CG2-CG2 3.9Å; T463-Q651 HydrophobicContact CG2-CG 3.81Å; T463-R654 PolarHBondContact O-NH1 3.15Å; T463-R654 PolarHBondContact O-NH2 3.34Å
464	F	84.4	Confident	84.3	Confident	18 Å²	18	65 Å²	65	8%	0.079	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-92.2	145.3	177.6	-72.3	-76.6	0	0	0	112.8	I58 L61 I444 Y448 E452 S462 L466	I58-F464 HydrophobicContact CD1-CD2 3.83Å; I58-F464 HydrophobicContact CD1-CE2 4.39Å; I58-F464 HydrophobicContact CD1-CG 4.4Å; I58-F464 HydrophobicContact CG1-CD2 3.82Å; I58-F464 HydrophobicContact CG1-CE2 4.14Å; I58-F464 HydrophobicContact CG1-CG 4.17Å; L61-F464 HydrophobicContact CD1-CD1 4.26Å; L61-F464 HydrophobicContact CD1-CE1 3.55Å; L61-F464 HydrophobicContact CD1-CZ 3.87Å; I444-F464 HydrophobicContact CG2-CZ 4.46Å; Y448-F464 HydrophobicContact CD1-CE2 4.3Å; Y448-F464 AromaticContact CE1-CE2 3.64Å; Y448-F464 HydrophobicContact CE1-CE2 3.64Å; Y448-F464 AromaticContact CE1-CZ 3.87Å; Y448-F464 HydrophobicContact CE1-CZ 3.87Å; E452-F464 HydrophobicContact CB-CD2 4.24Å; E452-F464 HydrophobicContact CB-CE2 4.2Å; E452-F464 HydrophobicContact CG-CD2 3.99Å; E452-F464 HydrophobicContact CG-CE2 3.84Å; S462-F464 VanDerWaalsContact C-N 3.33Å; S462-F464 PolarHBondContact OG-N 3.46Å; F464-L466 HydrophobicContact CD1-CG 4.06Å; F464-L466 HydrophobicContact CE1-CD1 3.97Å; F464-L466 HydrophobicContact CE1-CG 3.96Å
465	P	83	Confident	84.5	Confident	87 Å²	87	61.1 Å²	61.1	57%	0.565	33%	0.329	S	S	*	.	S	Bend	cis	-72.2	151.6	-2.4	30.8	-35.1	0	0	0	112.6	L57 T463 R654	L57-P465 HydrophobicContact CD1-CB 4.14Å; T463-P465 CarbonylContact O-C 3.57Å; P465-R654 PolarHBondContact O-NH2 3.12Å
466	L	85.2	Confident	84.6	Confident	37 Å²	37	61.7 Å²	61.7	19%	0.194	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-74	136.9	171.3	-63.5	171.5	0	0	0	109.3	I444 F464 E470	I444-L466 HydrophobicContact CD1-CD1 3.55Å; F464-L466 HydrophobicContact CD1-CG 4.06Å; F464-L466 HydrophobicContact CE1-CD1 3.97Å; F464-L466 HydrophobicContact CE1-CG 3.96Å; L466-E470 HydrophobicContact CB-CB 4.28Å; L466-E470 HydrophobicContact CD2-CB 4.42Å
467	T	84.7	Confident	84.8	Confident	71 Å²	71	62.4 Å²	62.4	44%	0.436	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-64.6	160.8	171.9	64.1	0	0	0	0	110.4	N469 E470 S471	T467-N469 VanDerWaalsContact C-N 3.27Å; T467-N469 PolarHBondContact O-N 3.5Å; T467-E470 WeakPolarHBondContact CB-OE2 2.91Å; T467-E470 WeakPolarHBondContact CG2-OE2 3.41Å; T467-E470 PolarHBondContact N-OE2 2.83Å; T467-E470 PolarHBondContact O-N 3.38Å; T467-E470 WeakPolarHBondContact OG1-CB 3.39Å; T467-E470 WeakPolarHBondContact OG1-CG 3.33Å; T467-E470 PolarHBondContact OG1-N 3.37Å; T467-E470 PolarHBondContact OG1-OE2 2.79Å; T467-S471 WeakPolarHBondContact O-CB 3.26Å; T467-S471 PolarHBondContact O-N 3.26Å
468	H	83.3	Confident	84.9	Confident	129 Å²	129	58.1 Å²	58.1	60%	0.597	31%	0.314	S	S	*	.	H	α-helix	trans	-56.4	-41.3	-178	-174.4	75.2	0	0	0	112.5	S471 K472	H468-S471 PolarHBondContact O-N 3.47Å; H468-S471 PolarHBondContact O-OG 3.45Å; H468-K472 WeakPolarHBondContact NE2-CE 3.43Å; H468-K472 PolarHBondContact NE2-NZ 3.01Å; H468-K472 PolarHBondContact O-N 3.44Å
469	N	84.6	Confident	84.9	Confident	111 Å²	111	53 Å²	53	59%	0.594	29%	0.293	S	S	*	.	H	α-helix	trans	-71.3	-42.6	178.5	-71.5	-7.4	0	0	0	112.1	T467 S471 K472 H473	T467-N469 VanDerWaalsContact C-N 3.27Å; T467-N469 PolarHBondContact O-N 3.5Å; N469-S471 VanDerWaalsContact C-N 3.28Å; N469-S471 PolarHBondContact O-N 3.43Å; N469-K472 PolarHBondContact O-N 2.94Å; N469-K472 VanDerWaalsContact O-N 3.16Å; N469-H473 PolarHBondContact O-CD2 2.94Å; N469-H473 PolarHBondContact O-N 2.7Å
470	E	87.9	Confident	85.2	Confident	26 Å²	26	59.3 Å²	59.3	12%	0.121	31%	0.311	C	S	.	.	H	α-helix	trans	-59.5	-40.9	173.4	-73.1	165.4	166.6	0	0	111.2	L466 T467 K472 H473 Y474 R654	L466-E470 HydrophobicContact CB-CB 4.28Å; L466-E470 HydrophobicContact CD2-CB 4.42Å; T467-E470 WeakPolarHBondContact CB-OE2 2.91Å; T467-E470 WeakPolarHBondContact CG2-OE2 3.41Å; T467-E470 PolarHBondContact N-OE2 2.83Å; T467-E470 PolarHBondContact O-N 3.38Å; T467-E470 WeakPolarHBondContact OG1-CB 3.39Å; T467-E470 WeakPolarHBondContact OG1-CG 3.33Å; T467-E470 PolarHBondContact OG1-N 3.37Å; T467-E470 PolarHBondContact OG1-OE2 2.79Å; E470-K472 PolarHBondContact O-N 3.47Å; E470-K472 VanDerWaalsContact O-N 3.15Å; E470-H473 PolarHBondContact O-N 3.05Å; E470-Y474 HydrophobicContact CB-CD2 4.09Å; E470-Y474 HydrophobicContact CB-CE2 4.49Å; E470-Y474 HydrophobicContact CG-CE2 4.44Å; E470-Y474 WeakPolarHBondContact O-CD2 3.41Å; E470-Y474 PolarHBondContact O-N 3.38Å; E470-R654 WeakPolarHBondContact OE1-CG 3.05Å; E470-R654 IonicContact OE1-CZ 2.7Å; E470-R654 IonicContact OE1-NE 2.73Å; E470-R654 PolarHBondContact OE1-NE 3.02Å; E470-R654 IonicContact OE1-NH2 3.3Å; E470-R654 IonicContact OE2-CZ 3.29Å; E470-R654 IonicContact OE2-NE 3.43Å; E470-R654 PolarHBondContact OE2-NE 3.26Å; E470-R654 IonicContact OE2-NH2 2.69Å; E470-R654 PolarHBondContact OE2-NH2 3.22Å
471	S	86.3	Confident	85.4	Confident	35 Å²	35	58 Å²	58	25%	0.245	31%	0.31	C	S	.	.	H	α-helix	trans	-64.8	-18.7	-180	82.8	0	0	0	0	113.8	T467 H468 N469 K475	T467-S471 WeakPolarHBondContact O-CB 3.26Å; T467-S471 PolarHBondContact O-N 3.26Å; H468-S471 PolarHBondContact O-N 3.47Å; H468-S471 PolarHBondContact O-OG 3.45Å; N469-S471 VanDerWaalsContact C-N 3.28Å; N469-S471 PolarHBondContact O-N 3.43Å; S471-K475 WeakPolarHBondContact O-CD 3.16Å; S471-K475 WeakPolarHBondContact O-CE 3.44Å; S471-K475 PolarHBondContact O-NZ 3.32Å
472	K	87.8	Confident	85.8	Confident	104 Å²	104	56.5 Å²	56.5	45%	0.452	29%	0.291	S	S	.	.	H	α-helix	trans	-84.8	-26.8	172.9	-71.7	176.3	-180	167	0	112.4	H468 N469 E470 S483 H484	H468-K472 WeakPolarHBondContact NE2-CE 3.43Å; H468-K472 PolarHBondContact NE2-NZ 3.01Å; H468-K472 PolarHBondContact O-N 3.44Å; N469-K472 PolarHBondContact O-N 2.94Å; N469-K472 VanDerWaalsContact O-N 3.16Å; E470-K472 PolarHBondContact O-N 3.47Å; E470-K472 VanDerWaalsContact O-N 3.15Å; K472-S483 VanDerWaalsContact O-CA 3.31Å; K472-S483 WeakPolarHBondContact O-CA 3.04Å; K472-H484 PolarHBondContact O-N 3.3Å
473	H	87.3	Confident	86	Confident	79 Å²	79	55.2 Å²	55.2	37%	0.366	28%	0.282	S	S	.	.	H	α-helix	trans	-89.4	-44.5	178.1	-76.9	-68.4	0	0	0	112.4	N469 E470	N469-H473 PolarHBondContact O-CD2 2.94Å; N469-H473 PolarHBondContact O-N 2.7Å; E470-H473 PolarHBondContact O-N 3.05Å
474	Y	90.5	Very high	86	Confident	32 Å²	32	59.6 Å²	59.6	13%	0.125	30%	0.303	C	S	.	.	S	Bend	trans	-102	120.7	-177.7	-54	-66.9	0	0	0	110.4	S442 E470 L646 I650	S442-Y474 WeakPolarHBondContact O-CA 3.05Å; E470-Y474 HydrophobicContact CB-CD2 4.09Å; E470-Y474 HydrophobicContact CB-CE2 4.49Å; E470-Y474 HydrophobicContact CG-CE2 4.44Å; E470-Y474 WeakPolarHBondContact O-CD2 3.41Å; E470-Y474 PolarHBondContact O-N 3.38Å; Y474-L646 HydrophobicContact CD1-CD1 3.91Å; Y474-L646 HydrophobicContact CE1-CD1 3.63Å; Y474-I650 HydrophobicContact CD2-CD1 4.1Å; Y474-I650 HydrophobicContact CD2-CG1 4.25Å; Y474-I650 HydrophobicContact CE1-CG1 4.47Å; Y474-I650 HydrophobicContact CE2-CD1 4.15Å; Y474-I650 HydrophobicContact CE2-CG1 3.79Å; Y474-I650 HydrophobicContact CG-CD1 4.3Å
475	K	89.7	Confident	86.1	Confident	36 Å²	36	61.6 Å²	61.6	16%	0.157	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	148.1	-175.8	-70.8	-63.5	-170.3	-172.4	0	111.1	S442 Y443 I444 S471 S481	S442-K475 PolarHBondContact O-N 2.82Å; Y443-K475 VanDerWaalsContact CA-O 3.32Å; Y443-K475 WeakPolarHBondContact CA-O 3.44Å; I444-K475 PolarHBondContact N-O 3.23Å; S471-K475 WeakPolarHBondContact O-CD 3.16Å; S471-K475 WeakPolarHBondContact O-CE 3.44Å; S471-K475 PolarHBondContact O-NZ 3.32Å; K475-S481 WeakPolarHBondContact CD-OG 3.31Å; K475-S481 WeakPolarHBondContact CE-OG 3.45Å; K475-S481 PolarHBondContact NZ-OG 3.31Å
476	M	88.3	Confident	86.4	Confident	22 Å²	22	58 Å²	58	11%	0.108	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	144.7	169.8	-170.5	62.8	67.4	0	0	109.9	I444 I449 T478 S479 R625	I444-M476 HydrophobicContact CB-CE 4.01Å; I444-M476 HydrophobicContact CB-SD 4.29Å; I444-M476 HydrophobicContact CG2-CE 3.5Å; I444-M476 HydrophobicContact CG2-SD 4.25Å; I449-M476 HydrophobicContact CD1-CE 3.23Å; I449-M476 HydrophobicContact CD1-SD 4.16Å; I449-M476 HydrophobicContact CG1-CE 3.94Å; M476-T478 WeakPolarHBondContact CG-OG1 3.24Å; M476-T478 PolarHBondContact O-N 3.25Å; M476-T478 VanDerWaalsContact O-N 3.17Å; M476-S479 WeakPolarHBondContact O-CB 3.18Å; M476-S479 PolarHBondContact O-N 3.43Å; M476-S479 PolarHBondContact O-OG 2.86Å; M476-R625 PolarHBondContact O-NH1 3.43Å
477	L	86.7	Confident	86.6	Confident	23 Å²	23	61 Å²	61	12%	0.12	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-34.6	173.9	-70.1	167.3	0	0	0	112.2	Y443 T445 R625 H628 I629 I632	Y443-L477 HydrophobicContact CD1-CD2 3.6Å; Y443-L477 HydrophobicContact CD1-CG 4.34Å; Y443-L477 HydrophobicContact CD2-CD2 4.38Å; Y443-L477 HydrophobicContact CE1-CD2 4.17Å; Y443-L477 HydrophobicContact CG-CD2 3.7Å; Y443-L477 HydrophobicContact CG-CG 4.38Å; T445-L477 HydrophobicContact CG2-CD1 4.33Å; L477-R625 HydrophobicContact CD2-CB 4.19Å; L477-R625 HydrophobicContact CD2-CG 4.49Å; L477-R625 WeakPolarHBondContact O-CD 3.32Å; L477-R625 PolarHBondContact O-NH1 3.36Å; L477-H628 HydrophobicContact CD1-CB 4.46Å; L477-H628 HydrophobicContact CD2-CB 3.77Å; L477-I629 HydrophobicContact CD1-CG1 4.12Å; L477-I632 HydrophobicContact CD1-CD1 3.63Å
478	T	82.1	Confident	86.7	Confident	40 Å²	40	61.3 Å²	61.3	25%	0.245	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-3.3	-179.2	62.7	0	0	0	0	115	S65 Y68 M476	S65-T478 PolarHBondContact OG-O 2.86Å; Y68-T478 HydrophobicContact CD1-CG2 4.22Å; Y68-T478 HydrophobicContact CD2-CG2 3.39Å; Y68-T478 HydrophobicContact CE2-CG2 3.76Å; Y68-T478 HydrophobicContact CG-CG2 3.63Å; M476-T478 WeakPolarHBondContact CG-OG1 3.24Å; M476-T478 PolarHBondContact O-N 3.25Å; M476-T478 VanDerWaalsContact O-N 3.17Å
479	S	84.6	Confident	86.8	Confident	25 Å²	25	60.1 Å²	60.1	18%	0.175	29%	0.293	C	S	.	.			trans	-71.8	142	-176.3	65.4	0	0	0	0	112.1	M476 S481 R625	M476-S479 WeakPolarHBondContact O-CB 3.18Å; M476-S479 PolarHBondContact O-N 3.43Å; M476-S479 PolarHBondContact O-OG 2.86Å; S479-S481 PolarHBondContact OG-O 3.42Å; S479-R625 PolarHBondContact O-NH1 3.38Å; S479-R625 PolarHBondContact OG-NH1 3.09Å
480	F	83.4	Confident	86.8	Confident	166 Å²	166	56.1 Å²	56.1	73%	0.728	27%	0.271	S	S	*	.	S	Bend	trans	-76.5	-30.6	175.2	-169.2	-108.1	0	0	0	112.1	Y622	F480-Y622 AromaticContact CD2-CE1 3.99Å; F480-Y622 HydrophobicContact CD2-CE1 3.99Å; F480-Y622 AromaticContact CD2-CZ 3.82Å; F480-Y622 WeakPolarHBondContact CD2-OH 3.36Å; F480-Y622 HydrophobicContact CE2-CE1 4.36Å; F480-Y622 HydrophobicContact CE2-CE2 4.33Å; F480-Y622 AromaticContact CE2-CZ 3.75Å; F480-Y622 VanDerWaalsContact CE2-OH 3.28Å; F480-Y622 WeakPolarHBondContact CE2-OH 3.41Å; F480-Y622 WeakPolarHBondContact O-CE1 3.09Å; F480-Y622 PolarHBondContact O-OH 3.3Å
481	S	85.7	Confident	86.6	Confident	53 Å²	53	62 Å²	62	37%	0.371	30%	0.296	S	S	.	.	S	Bend	trans	-72.6	141.3	179.9	62.7	0	0	0	0	112.7	K475 S479 R625	K475-S481 WeakPolarHBondContact CD-OG 3.31Å; K475-S481 WeakPolarHBondContact CE-OG 3.45Å; K475-S481 PolarHBondContact NZ-OG 3.31Å; S479-S481 PolarHBondContact OG-O 3.42Å; S481-R625 PolarHBondContact O-NH2 3.39Å
482	W	87.7	Confident	86.4	Confident	65 Å²	65	65 Å²	65	25%	0.246	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-82.6	147.3	176.9	-53.3	-15	0	0	0	112.7	E486 K487 M490 L618 V621 Y622	W482-E486 VanDerWaalsContact CA-OE2 3.3Å; W482-E486 WeakPolarHBondContact CA-OE2 3.2Å; W482-K487 HydrophobicContact CB-CG 4.07Å; W482-K487 HydrophobicContact CE3-CG 4.01Å; W482-M490 HydrophobicContact CE3-SD 4.24Å; W482-M490 HydrophobicContact CH2-CE 3.9Å; W482-M490 HydrophobicContact CH2-SD 3.67Å; W482-M490 HydrophobicContact CZ2-SD 4.43Å; W482-M490 HydrophobicContact CZ3-CE 4.26Å; W482-M490 HydrophobicContact CZ3-SD 3.56Å; W482-M490 VanDerWaalsContact CZ3-SD 3.56Å; W482-L618 HydrophobicContact CH2-CD2 3.99Å; W482-L618 HydrophobicContact CZ2-CD2 4.41Å; W482-V621 HydrophobicContact CD2-CG2 4.41Å; W482-V621 HydrophobicContact CG-CG1 4.26Å; W482-V621 HydrophobicContact CZ2-CG2 4.41Å; W482-Y622 AromaticContact NE1-CE1 3.9Å; W482-Y622 AromaticContact NE1-CE2 3.9Å; W482-Y622 AromaticContact NE1-CZ 3.36Å; W482-Y622 PolarHBondContact NE1-OH 3.44Å
483	S	87.5	Confident	86.1	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-79.3	159.1	169.9	82.5	0	0	0	0	111.3	K472 I485 E486 K487	K472-S483 VanDerWaalsContact O-CA 3.31Å; K472-S483 WeakPolarHBondContact O-CA 3.04Å; S483-I485 PolarHBondContact O-N 2.89Å; S483-I485 PolarHBondContact OG-N 3.39Å; S483-E486 PolarHBondContact N-OE2 2.76Å; S483-E486 PolarHBondContact O-N 3.5Å; S483-E486 VanDerWaalsContact OG-CG 3.23Å; S483-E486 WeakPolarHBondContact OG-CG 3.1Å; S483-E486 PolarHBondContact OG-N 2.86Å; S483-E486 VanDerWaalsContact OG-N 3.09Å; S483-K487 WeakPolarHBondContact O-CG 3.28Å; S483-K487 PolarHBondContact O-N 3.34Å
484	H	86.3	Confident	85.9	Confident	93 Å²	93	58.3 Å²	58.3	43%	0.431	29%	0.291	S	S	.	.	H	α-helix	trans	-59.9	-36.7	175.1	-173.6	-89.6	0	0	0	112.4	K472 K487 N488	K472-H484 PolarHBondContact O-N 3.3Å; H484-K487 PolarHBondContact O-N 3.18Å; H484-N488 PolarHBondContact CE1-ND2 2.85Å; H484-N488 VanDerWaalsContact CE1-ND2 3.26Å; H484-N488 PolarHBondContact O-N 3.16Å; H484-N488 VanDerWaalsContact O-N 3.14Å
485	I	86.2	Confident	85.8	Confident	60 Å²	60	60.2 Å²	60.2	31%	0.308	31%	0.306	S	S	.	.	H	α-helix	trans	-67.1	-43	178.7	-63.1	164.9	0	0	0	110.1	S483 N488 K489	S483-I485 PolarHBondContact O-N 2.89Å; S483-I485 PolarHBondContact OG-N 3.39Å; I485-N488 PolarHBondContact O-N 3.18Å; I485-K489 HydrophobicContact CG2-CD 4.12Å; I485-K489 WeakPolarHBondContact O-CG 3.31Å; I485-K489 PolarHBondContact O-N 3.21Å
486	E	89.6	Confident	85.7	Confident	11 Å²	11	64.7 Å²	64.7	5%	0.051	33%	0.331	C	S	.	.	H	α-helix	trans	-61.6	-45.4	176	-72.7	169.3	161.8	0	0	111.8	Y443 W482 S483 N488 K489 M490 V621 R625	Y443-E486 VanDerWaalsContact CE1-OE1 3.25Å; Y443-E486 WeakPolarHBondContact CE1-OE1 3.13Å; Y443-E486 PolarHBondContact OH-OE1 2.81Å; W482-E486 VanDerWaalsContact CA-OE2 3.3Å; W482-E486 WeakPolarHBondContact CA-OE2 3.2Å; S483-E486 PolarHBondContact N-OE2 2.76Å; S483-E486 PolarHBondContact O-N 3.5Å; S483-E486 VanDerWaalsContact OG-CG 3.23Å; S483-E486 WeakPolarHBondContact OG-CG 3.1Å; S483-E486 PolarHBondContact OG-N 2.86Å; S483-E486 VanDerWaalsContact OG-N 3.09Å; E486-N488 VanDerWaalsContact C-N 3.33Å; E486-N488 PolarHBondContact O-N 3.49Å; E486-K489 PolarHBondContact O-N 2.73Å; E486-M490 WeakPolarHBondContact O-CB 3.27Å; E486-M490 PolarHBondContact O-N 2.92Å; E486-V621 HydrophobicContact CB-CG1 4.05Å; E486-V621 HydrophobicContact CG-CG1 4.13Å; E486-R625 IonicContact OE1-CZ 3.78Å; E486-R625 VanDerWaalsContact OE1-CZ 3.29Å; E486-R625 IonicContact OE1-NE 3.51Å; E486-R625 PolarHBondContact OE1-NE 3Å; E486-R625 IonicContact OE1-NH2 3.84Å; E486-R625 PolarHBondContact OE1-NH2 2.9Å; E486-R625 VanDerWaalsContact OE1-NH2 3.13Å; E486-R625 IonicContact OE2-CZ 3.62Å; E486-R625 IonicContact OE2-NE 3.66Å; E486-R625 IonicContact OE2-NH2 2.8Å; E486-R625 PolarHBondContact OE2-NH2 3.18Å
487	K	88.8	Confident	85.7	Confident	100 Å²	100	65.3 Å²	65.3	44%	0.435	33%	0.333	S	S	.	.	H	α-helix	trans	-57.1	-45.2	177.3	-74.9	177.9	-177.1	-170.4	0	112.2	W482 S483 H484 M490 K491	W482-K487 HydrophobicContact CB-CG 4.07Å; W482-K487 HydrophobicContact CE3-CG 4.01Å; S483-K487 WeakPolarHBondContact O-CG 3.28Å; S483-K487 PolarHBondContact O-N 3.34Å; H484-K487 PolarHBondContact O-N 3.18Å; K487-M490 PolarHBondContact O-N 3.37Å; K487-K491 WeakPolarHBondContact O-CG 3.16Å; K487-K491 PolarHBondContact O-N 3.34Å
488	N	86.5	Confident	85.8	Confident	78 Å²	78	67.5 Å²	67.5	42%	0.417	35%	0.345	S	S	.	.	H	α-helix	trans	-69.6	-40.9	-179.4	-74	1.8	0	0	0	112.1	H484 I485 E486 K491 C492	H484-N488 PolarHBondContact CE1-ND2 2.85Å; H484-N488 VanDerWaalsContact CE1-ND2 3.26Å; H484-N488 PolarHBondContact O-N 3.16Å; H484-N488 VanDerWaalsContact O-N 3.14Å; I485-N488 PolarHBondContact O-N 3.18Å; E486-N488 VanDerWaalsContact C-N 3.33Å; E486-N488 PolarHBondContact O-N 3.49Å; N488-K491 PolarHBondContact O-N 2.92Å; N488-C492 PolarHBondContact O-N 3.08Å; N488-C492 VanDerWaalsContact O-N 3.08Å
489	K	86.1	Confident	86.3	Confident	104 Å²	104	70.2 Å²	70.2	45%	0.452	36%	0.357	S	S	.	.	H	α-helix	trans	-61.1	-44.2	174.5	-73.4	176.5	-179.5	178.7	0	111.5	D440 I485 E486 C492 S493	D440-K489 VanDerWaalsContact CG-NZ 3.29Å; D440-K489 IonicContact OD1-NZ 3.92Å; D440-K489 PolarHBondContact OD1-NZ 3.29Å; D440-K489 IonicContact OD2-NZ 4Å; I485-K489 HydrophobicContact CG2-CD 4.12Å; I485-K489 WeakPolarHBondContact O-CG 3.31Å; I485-K489 PolarHBondContact O-N 3.21Å; E486-K489 PolarHBondContact O-N 2.73Å; K489-C492 PolarHBondContact O-N 2.91Å; K489-S493 WeakPolarHBondContact O-CB 3.29Å; K489-S493 PolarHBondContact O-N 2.9Å
490	M	84.1	Confident	86.5	Confident	27 Å²	27	72.1 Å²	72.1	13%	0.133	36%	0.36	C	S	.	.	H	α-helix	trans	-63.1	-47.9	177.9	-177.4	-177.4	177.2	0	0	111.6	W482 E486 K487 C492 S493 N494 Q617 L618 V621	W482-M490 HydrophobicContact CE3-SD 4.24Å; W482-M490 HydrophobicContact CH2-CE 3.9Å; W482-M490 HydrophobicContact CH2-SD 3.67Å; W482-M490 HydrophobicContact CZ2-SD 4.43Å; W482-M490 HydrophobicContact CZ3-CE 4.26Å; W482-M490 HydrophobicContact CZ3-SD 3.56Å; W482-M490 VanDerWaalsContact CZ3-SD 3.56Å; E486-M490 WeakPolarHBondContact O-CB 3.27Å; E486-M490 PolarHBondContact O-N 2.92Å; K487-M490 PolarHBondContact O-N 3.37Å; M490-C492 PolarHBondContact O-N 3.38Å; M490-S493 PolarHBondContact O-N 2.88Å; M490-N494 WeakPolarHBondContact CG-ND2 3.36Å; M490-N494 VanDerWaalsContact O-CB 3.22Å; M490-N494 WeakPolarHBondContact O-CB 3.37Å; M490-N494 VanDerWaalsContact O-CG 3.31Å; M490-N494 PolarHBondContact O-N 3.06Å; M490-Q617 HydrophobicContact CE-CB 4.26Å; M490-Q617 WeakPolarHBondContact CE-O 3.37Å; M490-L618 HydrophobicContact CE-CD2 4.49Å; M490-V621 HydrophobicContact CB-CG2 4.44Å; M490-V621 HydrophobicContact CG-CG2 4.39Å; M490-V621 HydrophobicContact SD-CG2 3.67Å
491	K	84.1	Confident	86.9	Confident	148 Å²	148	65.1 Å²	65.1	64%	0.643	33%	0.33	S	S	*	.	H	α-helix	trans	-56.4	-49.8	177.1	-76.4	-179.8	179.3	-173.6	0	111.6	K487 N488 S493 N494 T495	K487-K491 WeakPolarHBondContact O-CG 3.16Å; K487-K491 PolarHBondContact O-N 3.34Å; N488-K491 PolarHBondContact O-N 2.92Å; K491-S493 PolarHBondContact O-N 3.46Å; K491-N494 PolarHBondContact O-N 3.46Å; K491-T495 WeakPolarHBondContact O-CG2 3.27Å; K491-T495 PolarHBondContact O-N 2.87Å
492	C	81.3	Confident	87.2	Confident	100 Å²	100	66.4 Å²	66.4	68%	0.676	34%	0.336	S	S	*	.	H	α-helix	trans	-64.6	-38.1	-178.4	-171.6	0	0	0	0	113	N488 K489 M490 T495	N488-C492 PolarHBondContact O-N 3.08Å; N488-C492 VanDerWaalsContact O-N 3.08Å; K489-C492 PolarHBondContact O-N 2.91Å; M490-C492 PolarHBondContact O-N 3.38Å; C492-T495 PolarHBondContact O-OG1 3.28Å; C492-T495 VanDerWaalsContact O-OG1 3.07Å
493	S	81.2	Confident	87.4	Confident	37 Å²	37	67.2 Å²	67.2	26%	0.259	34%	0.344	S	S	.	.	H	α-helix	trans	-76.1	-32.2	179.6	-172.7	0	0	0	0	112.6	K489 M490 K491 F497	K489-S493 WeakPolarHBondContact O-CB 3.29Å; K489-S493 PolarHBondContact O-N 2.9Å; M490-S493 PolarHBondContact O-N 2.88Å; K491-S493 PolarHBondContact O-N 3.46Å; S493-F497 WeakPolarHBondContact O-CD2 3.44Å
494	N	84.2	Confident	87.5	Confident	4 Å²	4	67.3 Å²	67.3	2%	0.021	34%	0.344	C	S	.	.	H	α-helix	trans	-95.1	-9.2	-170.4	-65.8	-0.6	0	0	0	113.8	R174 M490 K491 L496 F497 N498 E620	R174-N494 PolarHBondContact NH1-OD1 3.2Å; M490-N494 WeakPolarHBondContact CG-ND2 3.36Å; M490-N494 VanDerWaalsContact O-CB 3.22Å; M490-N494 WeakPolarHBondContact O-CB 3.37Å; M490-N494 VanDerWaalsContact O-CG 3.31Å; M490-N494 PolarHBondContact O-N 3.06Å; K491-N494 PolarHBondContact O-N 3.46Å; N494-L496 VanDerWaalsContact C-N 3.35Å; N494-L496 PolarHBondContact O-N 2.82Å; N494-F497 PolarHBondContact O-N 3.38Å; N494-N498 WeakPolarHBondContact O-CB 3.24Å; N494-N498 PolarHBondContact O-N 2.86Å; N494-N498 PolarHBondContact O-ND2 3.09Å; N494-E620 PolarHBondContact ND2-OE2 3.08Å; N494-E620 PolarHBondContact OD1-OE2 3.47Å; N494-E620 VanDerWaalsContact OD1-OE2 3.07Å
495	T	87.6	Confident	87.7	Confident	73 Å²	73	65.9 Å²	65.9	45%	0.448	34%	0.342	S	S	.	.	H	α-helix	trans	-54.8	-48.1	174	45	0	0	0	0	112.2	K491 C492 F497 N498 I499	K491-T495 WeakPolarHBondContact O-CG2 3.27Å; K491-T495 PolarHBondContact O-N 2.87Å; C492-T495 PolarHBondContact O-OG1 3.28Å; C492-T495 VanDerWaalsContact O-OG1 3.07Å; T495-F497 PolarHBondContact O-N 3.31Å; T495-N498 PolarHBondContact O-N 3.03Å; T495-I499 VanDerWaalsContact O-CG1 3.3Å; T495-I499 WeakPolarHBondContact O-CG1 3.22Å; T495-I499 PolarHBondContact O-N 3.26Å
496	L	87.2	Confident	87.8	Confident	129 Å²	129	67.1 Å²	67.1	68%	0.675	35%	0.348	S	S	*	.	H	α-helix	trans	-63.2	-42.9	179.8	-68.3	175.7	0	0	0	112.3	N494 N498 I499 W500	N494-L496 VanDerWaalsContact C-N 3.35Å; N494-L496 PolarHBondContact O-N 2.82Å; L496-N498 VanDerWaalsContact C-N 3.33Å; L496-N498 PolarHBondContact O-N 2.78Å; L496-I499 PolarHBondContact O-N 2.91Å; L496-W500 PolarHBondContact O-N 3.27Å
497	F	88.4	Confident	87.7	Confident	35 Å²	35	69.1 Å²	69.1	15%	0.154	36%	0.359	C	S	.	.	H	α-helix	trans	-65.4	-37.9	177.3	-69.7	-70	0	0	0	112	R174 L178 S493 N494 T495 W500 I501	R174-F497 HydrophobicContact CG-CD1 4.27Å; R174-F497 HydrophobicContact CG-CE1 4.37Å; R174-F497 VanDerWaalsContact CZ-CD2 3.41Å; R174-F497 VanDerWaalsContact CZ-CE2 3.41Å; L178-F497 HydrophobicContact CD1-CB 4.41Å; L178-F497 HydrophobicContact CD1-CD1 3.48Å; L178-F497 VanDerWaalsContact CD1-CD1 3.48Å; L178-F497 HydrophobicContact CD1-CE1 4.21Å; L178-F497 HydrophobicContact CD1-CG 4.38Å; S493-F497 WeakPolarHBondContact O-CD2 3.44Å; N494-F497 PolarHBondContact O-N 3.38Å; T495-F497 PolarHBondContact O-N 3.31Å; F497-W500 HydrophobicContact CD1-CE3 4.49Å; F497-W500 PolarHBondContact O-N 3.35Å; F497-I501 WeakPolarHBondContact O-CG1 3.32Å; F497-I501 PolarHBondContact O-N 2.92Å
498	N	89.7	Confident	87.6	Confident	69 Å²	69	65.9 Å²	65.9	37%	0.369	35%	0.346	S	S	.	.	H	α-helix	trans	-68.2	-40.1	177	-69.5	-19.3	0	0	0	112.1	N494 T495 L496 W500 I501 V502 Q617	N494-N498 WeakPolarHBondContact O-CB 3.24Å; N494-N498 PolarHBondContact O-N 2.86Å; N494-N498 PolarHBondContact O-ND2 3.09Å; T495-N498 PolarHBondContact O-N 3.03Å; L496-N498 VanDerWaalsContact C-N 3.33Å; L496-N498 PolarHBondContact O-N 2.78Å; N498-W500 PolarHBondContact O-N 3.3Å; N498-I501 PolarHBondContact O-N 3.25Å; N498-V502 VanDerWaalsContact O-CG2 3.32Å; N498-V502 WeakPolarHBondContact O-CG2 3.46Å; N498-V502 PolarHBondContact O-N 3.26Å; N498-Q617 PolarHBondContact OD1-NE2 3.15Å; N498-Q617 PolarHBondContact OD1-OE1 3.07Å
499	I	91.3	Very high	87.5	Confident	97 Å²	97	67.1 Å²	67.1	50%	0.497	35%	0.352	S	S	.	.	H	α-helix	trans	-58.1	-42.7	172.1	-68.6	163.5	0	0	0	109.9	T495 L496 V502 I503	T495-I499 VanDerWaalsContact O-CG1 3.3Å; T495-I499 WeakPolarHBondContact O-CG1 3.22Å; T495-I499 PolarHBondContact O-N 3.26Å; L496-I499 PolarHBondContact O-N 2.91Å; I499-V502 PolarHBondContact O-N 3.37Å; I499-I503 HydrophobicContact CG2-CD1 3.98Å; I499-I503 WeakPolarHBondContact O-CG1 3.25Å; I499-I503 PolarHBondContact O-N 2.61Å
500	W	90.6	Very high	87.5	Confident	65 Å²	65	67 Å²	67	25%	0.246	36%	0.356	C	S	.	.	H	α-helix	trans	-66.1	-40.1	179.8	-157.4	25.7	0	0	0	112.9	W175 L178 L179 T182 L496 F497 N498 I503 I504	W175-W500 AromaticContact CD1-CZ3 4Å; L178-W500 HydrophobicContact CB-CD2 4.3Å; L178-W500 HydrophobicContact CB-CE3 3.51Å; L178-W500 HydrophobicContact CB-CH2 3.65Å; L178-W500 HydrophobicContact CB-CZ2 4.45Å; L178-W500 HydrophobicContact CB-CZ3 3.13Å; L178-W500 HydrophobicContact CD1-CE3 3.51Å; L178-W500 HydrophobicContact CD1-CZ3 3.79Å; L178-W500 HydrophobicContact CG-CE3 4.02Å; L178-W500 HydrophobicContact CG-CZ3 4.06Å; L179-W500 HydrophobicContact CD2-CH2 3.77Å; L179-W500 HydrophobicContact CD2-CZ2 4.13Å; L179-W500 HydrophobicContact CG-CH2 4.04Å; T182-W500 HydrophobicContact CG2-CZ2 3.61Å; L496-W500 PolarHBondContact O-N 3.27Å; F497-W500 HydrophobicContact CD1-CE3 4.49Å; F497-W500 PolarHBondContact O-N 3.35Å; N498-W500 PolarHBondContact O-N 3.3Å; W500-I503 PolarHBondContact O-N 2.04Å; W500-I504 WeakPolarHBondContact O-CG1 3.34Å; W500-I504 PolarHBondContact O-N 2.82Å; W500-I504 VanDerWaalsContact O-N 3.15Å
501	I	91.2	Very high	87.2	Confident	20 Å²	20	66.6 Å²	66.6	10%	0.103	35%	0.354	C	S	.	.	H	α-helix	trans	-60	-45.9	171.9	-69.4	165.7	0	0	0	110.9	L178 F497 N498 I503 I504 V505 L610 I614	L178-I501 HydrophobicContact CD2-CD1 4.37Å; L178-I501 HydrophobicContact CD2-CG1 3.61Å; F497-I501 WeakPolarHBondContact O-CG1 3.32Å; F497-I501 PolarHBondContact O-N 2.92Å; N498-I501 PolarHBondContact O-N 3.25Å; I501-I503 VanDerWaalsContact C-N 3.31Å; I501-I503 PolarHBondContact O-N 2.92Å; I501-I504 PolarHBondContact O-N 3.31Å; I501-V505 HydrophobicContact CG2-CG2 4.46Å; I501-V505 WeakPolarHBondContact O-CG2 3.44Å; I501-V505 PolarHBondContact O-N 3.39Å; I501-L610 HydrophobicContact CG1-CD2 4.25Å; I501-L610 HydrophobicContact CG2-CD2 4.26Å; I501-I614 HydrophobicContact CD1-CG1 4.33Å
502	V	92.6	Very high	87	Confident	80 Å²	80	64.1 Å²	64.1	49%	0.485	35%	0.345	S	S	.	.	H	α-helix	trans	-60.9	-41.4	179.1	170.4	0	0	0	0	111.2	N498 I499 I504 V505 I506	N498-V502 VanDerWaalsContact O-CG2 3.32Å; N498-V502 WeakPolarHBondContact O-CG2 3.46Å; N498-V502 PolarHBondContact O-N 3.26Å; I499-V502 PolarHBondContact O-N 3.37Å; V502-I504 PolarHBondContact O-N 3.24Å; V502-V505 PolarHBondContact O-N 3.23Å; V502-I506 HydrophobicContact CG1-CD1 3.8Å; V502-I506 HydrophobicContact CG1-CG1 4.37Å; V502-I506 VanDerWaalsContact O-CG1 3.3Å; V502-I506 WeakPolarHBondContact O-CG1 3.14Å; V502-I506 PolarHBondContact O-N 3.28Å
503	I	91.3	Very high	87.1	Confident	81 Å²	81	63.6 Å²	63.6	42%	0.415	34%	0.338	S	S	.	.	H	α-helix	trans	-59.8	-45.1	175.9	-68.9	165	0	0	0	111.1	I499 W500 I501 V505 I506 I507	I499-I503 HydrophobicContact CG2-CD1 3.98Å; I499-I503 WeakPolarHBondContact O-CG1 3.25Å; I499-I503 PolarHBondContact O-N 2.61Å; W500-I503 PolarHBondContact O-N 2.04Å; I501-I503 VanDerWaalsContact C-N 3.31Å; I501-I503 PolarHBondContact O-N 2.92Å; I503-V505 VanDerWaalsContact C-N 3.33Å; I503-V505 PolarHBondContact O-N 3.16Å; I503-I506 PolarHBondContact O-N 2.86Å; I503-I507 HydrophobicContact CG2-CD1 3.86Å; I503-I507 VanDerWaalsContact O-CG1 3.29Å; I503-I507 WeakPolarHBondContact O-CG1 3.27Å; I503-I507 PolarHBondContact O-N 3.42Å
504	I	89.1	Confident	87	Confident	3 Å²	3	65.7 Å²	65.7	2%	0.015	35%	0.346	C	S	.	.	H	α-helix	trans	-61.3	-43.5	177.2	-64.8	168.7	0	0	0	110.7	L178 A181 T182 W500 I501 V502 I506 I507 L508 I606 L610	L178-I504 HydrophobicContact CD2-CD1 4.34Å; A181-I504 HydrophobicContact CB-CD1 4.24Å; T182-I504 HydrophobicContact CG2-CD1 3.64Å; T182-I504 HydrophobicContact CG2-CG1 3.93Å; W500-I504 WeakPolarHBondContact O-CG1 3.34Å; W500-I504 PolarHBondContact O-N 2.82Å; W500-I504 VanDerWaalsContact O-N 3.15Å; I501-I504 PolarHBondContact O-N 3.31Å; V502-I504 PolarHBondContact O-N 3.24Å; I504-I506 PolarHBondContact O-N 3.25Å; I504-I507 PolarHBondContact O-N 3.26Å; I504-L508 HydrophobicContact CG2-CD1 4.36Å; I504-L508 WeakPolarHBondContact O-CG 3.48Å; I504-L508 PolarHBondContact O-N 2.96Å; I504-I606 HydrophobicContact CG2-CG2 4.27Å; I504-L610 HydrophobicContact CD1-CD2 4.17Å; I504-L610 HydrophobicContact CG2-CD1 4.22Å; I504-L610 HydrophobicContact CG2-CD2 4.37Å
505	V	90.2	Very high	86.4	Confident	62 Å²	62	68.1 Å²	68.1	38%	0.376	36%	0.357	S	S	.	.	H	α-helix	trans	-62.8	-42.2	177.9	173	0	0	0	0	111.6	I501 V502 I503 I507 L508 L509 L610	I501-V505 HydrophobicContact CG2-CG2 4.46Å; I501-V505 WeakPolarHBondContact O-CG2 3.44Å; I501-V505 PolarHBondContact O-N 3.39Å; V502-V505 PolarHBondContact O-N 3.23Å; I503-V505 VanDerWaalsContact C-N 3.33Å; I503-V505 PolarHBondContact O-N 3.16Å; V505-I507 VanDerWaalsContact C-N 3.33Å; V505-I507 PolarHBondContact O-N 3.46Å; V505-L508 PolarHBondContact O-N 2.95Å; V505-L509 HydrophobicContact CG1-CD1 4.31Å; V505-L509 WeakPolarHBondContact O-CG 3.39Å; V505-L509 PolarHBondContact O-N 3.12Å; V505-L610 HydrophobicContact CG2-CD1 4.16Å
506	I	89.7	Confident	85.8	Confident	86 Å²	86	69.3 Å²	69.3	44%	0.441	36%	0.36	S	S	.	.	H	α-helix	trans	-60.7	-44.8	175.3	-69.6	165.6	0	0	0	110.4	V502 I503 I504 L508 L509 L510	V502-I506 HydrophobicContact CG1-CD1 3.8Å; V502-I506 HydrophobicContact CG1-CG1 4.37Å; V502-I506 VanDerWaalsContact O-CG1 3.3Å; V502-I506 WeakPolarHBondContact O-CG1 3.14Å; V502-I506 PolarHBondContact O-N 3.28Å; I503-I506 PolarHBondContact O-N 2.86Å; I504-I506 PolarHBondContact O-N 3.25Å; I506-L508 VanDerWaalsContact C-N 3.34Å; I506-L508 PolarHBondContact O-N 3.44Å; I506-L509 PolarHBondContact O-N 2.9Å; I506-L510 HydrophobicContact CG2-CD1 4.14Å; I506-L510 HydrophobicContact CG2-CG 4.39Å; I506-L510 WeakPolarHBondContact O-CG 3.16Å; I506-L510 PolarHBondContact O-N 2.94Å
507	I	87.2	Confident	85.1	Confident	53 Å²	53	66.2 Å²	66.2	27%	0.272	35%	0.35	S	S	.	.	H	α-helix	trans	-59.7	-44.7	177.6	-71.1	167.8	0	0	0	111	I189 I503 I504 V505 L509 L510 I511	I189-I507 HydrophobicContact CD1-CG2 3.27Å; I189-I507 HydrophobicContact CG1-CG2 4.16Å; I503-I507 HydrophobicContact CG2-CD1 3.86Å; I503-I507 VanDerWaalsContact O-CG1 3.29Å; I503-I507 WeakPolarHBondContact O-CG1 3.27Å; I503-I507 PolarHBondContact O-N 3.42Å; I504-I507 PolarHBondContact O-N 3.26Å; V505-I507 VanDerWaalsContact C-N 3.33Å; V505-I507 PolarHBondContact O-N 3.46Å; I507-L509 VanDerWaalsContact C-N 3.33Å; I507-L509 PolarHBondContact O-N 2.88Å; I507-L510 PolarHBondContact O-N 3.01Å; I507-I511 HydrophobicContact CG2-CD1 4.28Å; I507-I511 WeakPolarHBondContact O-CG1 3.49Å; I507-I511 PolarHBondContact O-N 3.3Å
508	L	85.2	Confident	84.3	Confident	33 Å²	33	66.2 Å²	66.2	17%	0.173	35%	0.351	C	S	.	.	H	α-helix	trans	-61.2	-41	176.4	-69.3	173.4	0	0	0	112.5	I504 V505 I506 I511 H512 I606	I504-L508 HydrophobicContact CG2-CD1 4.36Å; I504-L508 WeakPolarHBondContact O-CG 3.48Å; I504-L508 PolarHBondContact O-N 2.96Å; V505-L508 PolarHBondContact O-N 2.95Å; I506-L508 VanDerWaalsContact C-N 3.34Å; I506-L508 PolarHBondContact O-N 3.44Å; L508-I511 HydrophobicContact CD2-CD1 4.33Å; L508-I511 PolarHBondContact O-N 3.46Å; L508-H512 PolarHBondContact O-N 3.06Å; L508-H512 VanDerWaalsContact O-N 3.11Å; L508-I606 HydrophobicContact CD1-CG2 3.86Å; L508-I606 HydrophobicContact CD2-CD1 3.91Å; L508-I606 HydrophobicContact CD2-CG2 4.48Å
509	L	85.9	Confident	83.3	Confident	104 Å²	104	67.2 Å²	67.2	55%	0.545	36%	0.356	S	S	.	.	H	α-helix	trans	-63.6	-42.6	175.3	-72.4	170.4	0	0	0	111.6	V505 I506 I507 I511 H512 V513	V505-L509 HydrophobicContact CG1-CD1 4.31Å; V505-L509 WeakPolarHBondContact O-CG 3.39Å; V505-L509 PolarHBondContact O-N 3.12Å; I506-L509 PolarHBondContact O-N 2.9Å; I507-L509 VanDerWaalsContact C-N 3.33Å; I507-L509 PolarHBondContact O-N 2.88Å; L509-I511 PolarHBondContact O-N 2.67Å; L509-H512 PolarHBondContact O-N 3.31Å; L509-V513 WeakPolarHBondContact O-CG2 3.41Å; L509-V513 PolarHBondContact O-N 3.44Å
510	L	84.9	Confident	82.2	Confident	100 Å²	100	65.8 Å²	65.8	52%	0.524	35%	0.354	S	S	.	.	H	α-helix	trans	-61.9	-41.3	177.2	-71.1	174.7	0	0	0	112.1	I506 I507 H512 V513 I514	I506-L510 HydrophobicContact CG2-CD1 4.14Å; I506-L510 HydrophobicContact CG2-CG 4.39Å; I506-L510 WeakPolarHBondContact O-CG 3.16Å; I506-L510 PolarHBondContact O-N 2.94Å; I507-L510 PolarHBondContact O-N 3.01Å; L510-H512 VanDerWaalsContact C-N 3.32Å; L510-H512 PolarHBondContact O-N 2.93Å; L510-V513 PolarHBondContact O-N 2.97Å; L510-I514 VanDerWaalsContact O-CG1 3.29Å; L510-I514 WeakPolarHBondContact O-CG1 3.49Å; L510-I514 PolarHBondContact O-N 2.76Å
511	I	78.5	Confident	81	Confident	19 Å²	19	66.8 Å²	66.8	10%	0.097	36%	0.364	C	S	.	.	H	α-helix	trans	-59.2	-47.4	174.3	-63.2	162.3	0	0	0	110.3	I189 I507 L508 L509 V513 I514 Q515	I189-I511 HydrophobicContact CB-CD1 4.37Å; I189-I511 HydrophobicContact CB-CG1 4.49Å; I189-I511 HydrophobicContact CD1-CD1 4.07Å; I189-I511 HydrophobicContact CD1-CG1 4.43Å; I189-I511 HydrophobicContact CG1-CD1 3.19Å; I189-I511 HydrophobicContact CG1-CG1 3.5Å; I507-I511 HydrophobicContact CG2-CD1 4.28Å; I507-I511 WeakPolarHBondContact O-CG1 3.49Å; I507-I511 PolarHBondContact O-N 3.3Å; L508-I511 HydrophobicContact CD2-CD1 4.33Å; L508-I511 PolarHBondContact O-N 3.46Å; L509-I511 PolarHBondContact O-N 2.67Å; I511-V513 VanDerWaalsContact C-N 3.3Å; I511-V513 PolarHBondContact O-N 3.34Å; I511-I514 PolarHBondContact O-N 2.95Å; I511-Q515 WeakPolarHBondContact O-CB 3.34Å; I511-Q515 PolarHBondContact O-N 2.82Å
512	H	80.7	Confident	79.7	Confident	97 Å²	97	67.1 Å²	67.1	45%	0.449	37%	0.367	S	S	.	.	H	α-helix	trans	-61.6	-40.3	179.8	-174.1	65.9	0	0	0	111.5	L508 L509 L510 N516	L508-H512 PolarHBondContact O-N 3.06Å; L508-H512 VanDerWaalsContact O-N 3.11Å; L509-H512 PolarHBondContact O-N 3.31Å; L510-H512 VanDerWaalsContact C-N 3.32Å; L510-H512 PolarHBondContact O-N 2.93Å; H512-N516 VanDerWaalsContact O-CB 3.3Å; H512-N516 WeakPolarHBondContact O-CB 3.47Å; H512-N516 PolarHBondContact O-N 3.1Å
513	V	83.1	Confident	78.3	Confident	89 Å²	89	65.6 Å²	65.6	54%	0.539	36%	0.36	S	S	.	.	H	α-helix	trans	-64.7	-46.9	174.6	175.6	0	0	0	0	111.7	L509 L510 I511 Q515 N516 S517	L509-V513 WeakPolarHBondContact O-CG2 3.41Å; L509-V513 PolarHBondContact O-N 3.44Å; L510-V513 PolarHBondContact O-N 2.97Å; I511-V513 VanDerWaalsContact C-N 3.3Å; I511-V513 PolarHBondContact O-N 3.34Å; V513-Q515 VanDerWaalsContact C-N 3.34Å; V513-Q515 PolarHBondContact O-N 3.44Å; V513-N516 PolarHBondContact O-N 3.22Å; V513-S517 VanDerWaalsContact O-CB 3.28Å; V513-S517 WeakPolarHBondContact O-CB 3.25Å; V513-S517 PolarHBondContact O-N 3.4Å; V513-S517 PolarHBondContact O-OG 3.17Å
514	I	78.4	Confident	76.9	Confident	81 Å²	81	67.1 Å²	67.1	42%	0.415	36%	0.364	S	S	.	.	H	α-helix	trans	-59.3	-47.4	178.8	-69.8	166.2	0	0	0	110	L193 L510 I511 N516 S517 L518	L193-I514 HydrophobicContact CD2-CG2 4.22Å; L510-I514 VanDerWaalsContact O-CG1 3.29Å; L510-I514 WeakPolarHBondContact O-CG1 3.49Å; L510-I514 PolarHBondContact O-N 2.76Å; I511-I514 PolarHBondContact O-N 2.95Å; I514-N516 PolarHBondContact O-N 3.13Å; I514-S517 WeakPolarHBondContact CA-OG 3.43Å; I514-S517 PolarHBondContact O-N 3.44Å; I514-S517 PolarHBondContact O-OG 3.42Å; I514-L518 WeakPolarHBondContact O-CB 3.49Å; I514-L518 PolarHBondContact O-N 3.38Å
515	Q	72	Confident	75.6	Confident	55 Å²	55	69.3 Å²	69.3	26%	0.257	38%	0.375	S	S	.	.	H	α-helix	trans	-64	-42.6	179.7	-174	165.9	-6.8	0	0	112.1	I511 V513 L518 L519	I511-Q515 WeakPolarHBondContact O-CB 3.34Å; I511-Q515 PolarHBondContact O-N 2.82Å; V513-Q515 VanDerWaalsContact C-N 3.34Å; V513-Q515 PolarHBondContact O-N 3.44Å; Q515-L518 PolarHBondContact O-N 3.44Å; Q515-L519 PolarHBondContact O-N 3.44Å; Q515-L519 VanDerWaalsContact O-N 3.07Å
516	N	74.6	Confident	74	Confident	97 Å²	97	67.2 Å²	67.2	52%	0.519	36%	0.363	S	S	.	.	H	α-helix	trans	-66.9	-37.3	175.8	-166.8	37.5	0	0	0	112.1	H512 V513 I514 L519 S520	H512-N516 VanDerWaalsContact O-CB 3.3Å; H512-N516 WeakPolarHBondContact O-CB 3.47Å; H512-N516 PolarHBondContact O-N 3.1Å; V513-N516 PolarHBondContact O-N 3.22Å; I514-N516 PolarHBondContact O-N 3.13Å; N516-L519 PolarHBondContact O-N 3.05Å; N516-S520 WeakPolarHBondContact O-CB 3.4Å; N516-S520 PolarHBondContact O-N 2.9Å
517	S	72.7	Confident	72.3	Confident	65 Å²	65	67.5 Å²	67.5	46%	0.455	37%	0.366	S	S	.	.	H	α-helix	trans	-66.4	-37.9	176.8	73.5	0	0	0	0	112.3	V513 I514 S520 L521	V513-S517 VanDerWaalsContact O-CB 3.28Å; V513-S517 WeakPolarHBondContact O-CB 3.25Å; V513-S517 PolarHBondContact O-N 3.4Å; V513-S517 PolarHBondContact O-OG 3.17Å; I514-S517 WeakPolarHBondContact CA-OG 3.43Å; I514-S517 PolarHBondContact O-N 3.44Å; I514-S517 PolarHBondContact O-OG 3.42Å; S517-S520 WeakPolarHBondContact O-CB 3.26Å; S517-S520 PolarHBondContact O-N 3.47Å; S517-L521 PolarHBondContact O-N 3.49Å
518	L	70.9	Confident	70.7	Confident	35 Å²	35	68.5 Å²	68.5	18%	0.183	37%	0.372	C	S	.	.	H	α-helix	trans	-68.6	-40.1	176.6	-165.5	77.8	0	0	0	111.2	L200 I514 Q515 S520 L521 T522	L200-L518 HydrophobicContact CD1-CD1 4.22Å; I514-L518 WeakPolarHBondContact O-CB 3.49Å; I514-L518 PolarHBondContact O-N 3.38Å; Q515-L518 PolarHBondContact O-N 3.44Å; L518-S520 VanDerWaalsContact C-N 3.31Å; L518-L521 PolarHBondContact O-N 3.48Å; L518-T522 WeakPolarHBondContact O-CG2 3.42Å; L518-T522 PolarHBondContact O-N 3.45Å; L518-T522 PolarHBondContact O-OG1 3.2Å
519	L	68.7	Low	69.1	Low	89 Å²	89	71.6 Å²	71.6	47%	0.466	38%	0.384	S	S	.	.	H	α-helix	trans	-62	-39.6	171.6	-179.9	65	0	0	0	111.6	Q515 N516 T522 S523 L595	Q515-L519 PolarHBondContact O-N 3.44Å; Q515-L519 VanDerWaalsContact O-N 3.07Å; N516-L519 PolarHBondContact O-N 3.05Å; L519-T522 PolarHBondContact O-OG1 3.25Å; L519-S523 PolarHBondContact O-N 3.49Å; L519-S523 VanDerWaalsContact O-N 3.08Å; L519-L595 HydrophobicContact CB-CD1 4.31Å; L519-L595 HydrophobicContact CD1-CD1 3.42Å; L519-L595 VanDerWaalsContact CD1-CD1 3.42Å; L519-L595 HydrophobicContact CG-CD1 4.48Å
520	S	67.9	Low	67.3	Low	67 Å²	67	70 Å²	70	47%	0.469	38%	0.375	S	S	.	.	H	α-helix	trans	-66.1	-39.9	174.6	-169	0	0	0	0	111.5	N516 S517 L518 S523 F524	N516-S520 WeakPolarHBondContact O-CB 3.4Å; N516-S520 PolarHBondContact O-N 2.9Å; S517-S520 WeakPolarHBondContact O-CB 3.26Å; S517-S520 PolarHBondContact O-N 3.47Å; L518-S520 VanDerWaalsContact C-N 3.31Å; S520-S523 WeakPolarHBondContact CA-OG 3.49Å; S520-S523 PolarHBondContact O-N 2.91Å; S520-S523 PolarHBondContact O-OG 3.35Å; S520-F524 WeakPolarHBondContact O-CB 3.41Å; S520-F524 PolarHBondContact O-N 2.88Å
521	L	66.8	Low	65.4	Low	86 Å²	86	69.2 Å²	69.2	45%	0.45	37%	0.369	S	S	.	.	H	α-helix	trans	-64.5	-42.5	179	-176	65.3	0	0	0	111.5	S517 L518 S523 F524 I525	S517-L521 PolarHBondContact O-N 3.49Å; L518-L521 PolarHBondContact O-N 3.48Å; L521-S523 VanDerWaalsContact C-N 3.33Å; L521-S523 PolarHBondContact O-N 3.43Å; L521-F524 PolarHBondContact O-N 3.01Å; L521-I525 HydrophobicContact CD1-CD1 4.11Å; L521-I525 HydrophobicContact CD1-CG1 4.33Å; L521-I525 HydrophobicContact CG-CD1 3.88Å; L521-I525 HydrophobicContact CG-CG1 4.48Å; L521-I525 WeakPolarHBondContact O-CB 2.89Å; L521-I525 VanDerWaalsContact O-CG1 3.23Å; L521-I525 WeakPolarHBondContact O-CG1 3.34Å; L521-I525 PolarHBondContact O-N 3.09Å
522	T	62.9	Low	64	Low	28 Å²	28	71.7 Å²	71.7	17%	0.172	39%	0.388	C	S	.	.	H	α-helix	trans	-65.3	-38.8	175.4	56.6	0	0	0	0	111.5	L518 L519 S526 P593 L595	L518-T522 WeakPolarHBondContact O-CG2 3.42Å; L518-T522 PolarHBondContact O-N 3.45Å; L518-T522 PolarHBondContact O-OG1 3.2Å; L519-T522 PolarHBondContact O-OG1 3.25Å; T522-S526 VanDerWaalsContact O-CB 3.26Å; T522-S526 WeakPolarHBondContact O-CB 3.32Å; T522-S526 PolarHBondContact O-N 3.06Å; T522-P593 HydrophobicContact CG2-CG 3.6Å; T522-L595 HydrophobicContact CG2-CD1 4.26Å
523	S	64	Low	62.2	Low	47 Å²	47	72 Å²	72	33%	0.329	39%	0.385	S	S	.	.	H	α-helix	trans	-66.6	-38.1	174	77	0	0	0	0	112.9	L519 S520 L521 S526 N527	L519-S523 PolarHBondContact O-N 3.49Å; L519-S523 VanDerWaalsContact O-N 3.08Å; S520-S523 WeakPolarHBondContact CA-OG 3.49Å; S520-S523 PolarHBondContact O-N 2.91Å; S520-S523 PolarHBondContact O-OG 3.35Å; L521-S523 VanDerWaalsContact C-N 3.33Å; L521-S523 PolarHBondContact O-N 3.43Å; S523-S526 PolarHBondContact O-N 3.11Å; S523-N527 VanDerWaalsContact O-CB 3.23Å; S523-N527 WeakPolarHBondContact O-CB 3.05Å; S523-N527 PolarHBondContact O-N 3.27Å; S523-N527 PolarHBondContact O-ND2 3.38Å; S523-N527 PolarHBondContact O-OD1 3.44Å
524	F	61.1	Low	60.2	Low	113 Å²	113	70.7 Å²	70.7	50%	0.496	38%	0.377	S	S	.	.	H	α-helix	trans	-69.3	-48.1	179.8	-178.3	-95.9	0	0	0	111.1	S520 L521 S526 N527 D528	S520-F524 WeakPolarHBondContact O-CB 3.41Å; S520-F524 PolarHBondContact O-N 2.88Å; L521-F524 PolarHBondContact O-N 3.01Å; F524-S526 VanDerWaalsContact C-N 3.27Å; F524-S526 PolarHBondContact O-N 2.97Å; F524-N527 PolarHBondContact O-N 3.38Å; F524-N527 VanDerWaalsContact O-N 3.12Å; F524-D528 WeakPolarHBondContact CE1-OD2 3.35Å; F524-D528 WeakPolarHBondContact CZ-OD2 2.96Å; F524-D528 WeakPolarHBondContact O-CB 3.3Å; F524-D528 PolarHBondContact O-N 2.75Å
525	I	61.4	Low	58.5	Low	49 Å²	49	74.7 Å²	74.7	25%	0.251	39%	0.387	S	S	.	.	H	α-helix	trans	-56.5	-47	174.2	-68.2	170.1	0	0	0	109.4	F203 L521 N527 F529	F203-I525 HydrophobicContact CZ-CG2 4.01Å; L521-I525 HydrophobicContact CD1-CD1 4.11Å; L521-I525 HydrophobicContact CD1-CG1 4.33Å; L521-I525 HydrophobicContact CG-CD1 3.88Å; L521-I525 HydrophobicContact CG-CG1 4.48Å; L521-I525 WeakPolarHBondContact O-CB 2.89Å; L521-I525 VanDerWaalsContact O-CG1 3.23Å; L521-I525 WeakPolarHBondContact O-CG1 3.34Å; L521-I525 PolarHBondContact O-N 3.09Å; I525-N527 PolarHBondContact O-N 3.37Å; I525-F529 HydrophobicContact CG2-CD2 3.72Å; I525-F529 HydrophobicContact CG2-CE2 3.42Å; I525-F529 VanDerWaalsContact CG2-CE2 3.42Å; I525-F529 WeakPolarHBondContact O-CD2 3.12Å; I525-F529 PolarHBondContact O-N 3.33Å
526	S	58	Low	57.3	Low	19 Å²	19	74.8 Å²	74.8	13%	0.133	39%	0.394	C	S	.	.	H	α-helix	trans	-60.1	-44.7	175.3	-176.1	0	0	0	0	113.1	T522 S523 F524 I530 H592	T522-S526 VanDerWaalsContact O-CB 3.26Å; T522-S526 WeakPolarHBondContact O-CB 3.32Å; T522-S526 PolarHBondContact O-N 3.06Å; S523-S526 PolarHBondContact O-N 3.11Å; F524-S526 VanDerWaalsContact C-N 3.27Å; F524-S526 PolarHBondContact O-N 2.97Å; S526-I530 WeakPolarHBondContact O-CD1 3.49Å; S526-I530 WeakPolarHBondContact O-CG1 3.26Å; S526-I530 PolarHBondContact O-N 3.38Å; S526-H592 WeakPolarHBondContact CB-NE2 3.25Å; S526-H592 PolarHBondContact OG-NE2 2.8Å
527	N	53.1	Low	55.7	Low	92 Å²	92	73.2 Å²	73.2	49%	0.492	39%	0.39	S	S	.	.	H	α-helix	trans	-72.5	-37.7	-175.6	-75.5	-11.2	0	0	0	112.4	S523 F524 I525 F529 I530 Q531	S523-N527 VanDerWaalsContact O-CB 3.23Å; S523-N527 WeakPolarHBondContact O-CB 3.05Å; S523-N527 PolarHBondContact O-N 3.27Å; S523-N527 PolarHBondContact O-ND2 3.38Å; S523-N527 PolarHBondContact O-OD1 3.44Å; F524-N527 PolarHBondContact O-N 3.38Å; F524-N527 VanDerWaalsContact O-N 3.12Å; I525-N527 PolarHBondContact O-N 3.37Å; N527-F529 VanDerWaalsContact C-N 3.34Å; N527-I530 CarbonylContact O-C 3.51Å; N527-I530 PolarHBondContact O-N 2.81Å; N527-I530 VanDerWaalsContact O-N 3.16Å; N527-Q531 WeakPolarHBondContact O-CB 3.5Å; N527-Q531 PolarHBondContact O-N 3.36Å
528	D	54.1	Low	54.2	Low	73 Å²	73	75.7 Å²	75.7	39%	0.39	40%	0.395	S	S	.	.	H	α-helix	trans	-66.1	-38.5	175.1	-88.6	2.5	0	0	0	111	F524 I530 Q531 S532	F524-D528 WeakPolarHBondContact CE1-OD2 3.35Å; F524-D528 WeakPolarHBondContact CZ-OD2 2.96Å; F524-D528 WeakPolarHBondContact O-CB 3.3Å; F524-D528 PolarHBondContact O-N 2.75Å; D528-I530 VanDerWaalsContact C-N 3.3Å; D528-I530 PolarHBondContact O-N 2.88Å; D528-Q531 PolarHBondContact O-N 3.32Å; D528-S532 WeakPolarHBondContact O-CB 3.35Å; D528-S532 PolarHBondContact O-N 3.43Å; D528-S532 PolarHBondContact O-OG 2.98Å; D528-S532 VanDerWaalsContact O-OG 3.11Å
529	F	51.2	Low	52.9	Low	99 Å²	99	80.1 Å²	80.1	43%	0.434	42%	0.419	S	S	.	.	H	α-helix	trans	-65.2	-32.6	171.3	-75.5	-58.1	0	0	0	112.6	I525 N527 S532 R533	I525-F529 HydrophobicContact CG2-CD2 3.72Å; I525-F529 HydrophobicContact CG2-CE2 3.42Å; I525-F529 VanDerWaalsContact CG2-CE2 3.42Å; I525-F529 WeakPolarHBondContact O-CD2 3.12Å; I525-F529 PolarHBondContact O-N 3.33Å; N527-F529 VanDerWaalsContact C-N 3.34Å; F529-S532 WeakPolarHBondContact CA-OG 3.09Å; F529-S532 PolarHBondContact O-OG 3.37Å; F529-R533 PolarHBondContact O-N 3.07Å
530	I	47.8	Very low	51.7	Low	70 Å²	70	82 Å²	82	36%	0.359	43%	0.429	S	S	.	.	H	α-helix	trans	-74.1	-37.1	172.2	-66.1	160.5	0	0	0	111.1	S526 N527 D528 R533 T534	S526-I530 WeakPolarHBondContact O-CD1 3.49Å; S526-I530 WeakPolarHBondContact O-CG1 3.26Å; S526-I530 PolarHBondContact O-N 3.38Å; N527-I530 CarbonylContact O-C 3.51Å; N527-I530 PolarHBondContact O-N 2.81Å; N527-I530 VanDerWaalsContact O-N 3.16Å; D528-I530 VanDerWaalsContact C-N 3.3Å; D528-I530 PolarHBondContact O-N 2.88Å; I530-R533 CarbonylContact O-C 3.57Å; I530-R533 WeakPolarHBondContact O-CA 2.88Å; I530-R533 VanDerWaalsContact O-CB 3.31Å; I530-R533 WeakPolarHBondContact O-CB 3.29Å; I530-R533 PolarHBondContact O-N 3.24Å; I530-T534 PolarHBondContact O-N 2.75Å; I530-T534 PolarHBondContact O-OG1 2.96Å
531	Q	46.3	Very low	50.7	Low	84 Å²	84	85.7 Å²	85.7	39%	0.393	44%	0.444	S	S	.	.	H	α-helix	trans	-75.7	-34.8	-177.4	-169.2	167.3	29.1	0	0	112.1	N527 D528 R533 T534 R535	N527-Q531 WeakPolarHBondContact O-CB 3.5Å; N527-Q531 PolarHBondContact O-N 3.36Å; D528-Q531 PolarHBondContact O-N 3.32Å; Q531-R533 PolarHBondContact O-N 3.2Å; Q531-T534 WeakPolarHBondContact CA-OG1 3.12Å; Q531-T534 PolarHBondContact O-N 2.96Å; Q531-T534 PolarHBondContact O-OG1 2.88Å; Q531-R535 PolarHBondContact O-N 2.82Å
532	S	48.9	Very low	49.4	Very low	70 Å²	70	85.8 Å²	85.8	49%	0.49	45%	0.448	S	S	.	.	H	α-helix	trans	-58.6	-35.6	167.3	56.1	0	0	0	0	111	D528 F529 S536	D528-S532 WeakPolarHBondContact O-CB 3.35Å; D528-S532 PolarHBondContact O-N 3.43Å; D528-S532 PolarHBondContact O-OG 2.98Å; D528-S532 VanDerWaalsContact O-OG 3.11Å; F529-S532 WeakPolarHBondContact CA-OG 3.09Å; F529-S532 PolarHBondContact O-OG 3.37Å; S532-S536 WeakPolarHBondContact O-CB 3.25Å; S532-S536 PolarHBondContact O-N 3.21Å; S532-S536 PolarHBondContact O-OG 3.01Å; S532-S536 VanDerWaalsContact O-OG 3.08Å
533	R	43.3	Very low	48.1	Very low	104 Å²	104	90.9 Å²	90.9	39%	0.392	47%	0.473	S	S	.	.	H	α-helix	trans	-71.9	-42.7	174.5	-167.1	-170.8	-69.4	161.6	-2.2	112.9	F529 I530 Q531 S536 S537 D587	F529-R533 PolarHBondContact O-N 3.07Å; I530-R533 CarbonylContact O-C 3.57Å; I530-R533 WeakPolarHBondContact O-CA 2.88Å; I530-R533 VanDerWaalsContact O-CB 3.31Å; I530-R533 WeakPolarHBondContact O-CB 3.29Å; I530-R533 PolarHBondContact O-N 3.24Å; Q531-R533 PolarHBondContact O-N 3.2Å; R533-S536 WeakPolarHBondContact CA-OG 3.35Å; R533-S536 PolarHBondContact O-N 2.95Å; R533-S536 PolarHBondContact O-OG 3.37Å; R533-S537 WeakPolarHBondContact O-CB 3.23Å; R533-S537 PolarHBondContact O-N 2.76Å; R533-D587 IonicContact CZ-OD1 3.34Å; R533-D587 IonicContact NH2-OD1 2.75Å; R533-D587 PolarHBondContact NH2-OD1 3.35Å
534	T	41.2	Very low	47.1	Very low	61 Å²	61	96.3 Å²	96.3	37%	0.374	50%	0.499	S	S	.	.	H	α-helix	trans	-69.3	-38.1	178	52.2	0	0	0	0	111.5	I530 Q531 S536 S537 Q538	I530-T534 PolarHBondContact O-N 2.75Å; I530-T534 PolarHBondContact O-OG1 2.96Å; Q531-T534 WeakPolarHBondContact CA-OG1 3.12Å; Q531-T534 PolarHBondContact O-N 2.96Å; Q531-T534 PolarHBondContact O-OG1 2.88Å; T534-S536 VanDerWaalsContact C-N 3.3Å; T534-S536 PolarHBondContact O-N 2.68Å; T534-S537 PolarHBondContact O-N 2.82Å; T534-Q538 WeakPolarHBondContact O-CA 3.43Å; T534-Q538 WeakPolarHBondContact O-CB 3.24Å; T534-Q538 PolarHBondContact O-N 3.43Å
535	R	42.1	Very low	46.3	Very low	166 Å²	166	98.2 Å²	98.2	63%	0.626	51%	0.514	S	S	*	.	H	α-helix	trans	-66.6	-29.6	173.3	-73.7	-175.9	-178.2	143	2.7	113.3	Q531 N539	Q531-R535 PolarHBondContact O-N 2.82Å; R535-N539 PolarHBondContact O-ND2 3.23Å
536	S	45.8	Very low	45	Very low	56 Å²	56	98.4 Å²	98.4	39%	0.392	53%	0.528	S	S	.	.	H	α-helix	trans	-82.2	-37.5	175.9	63.3	0	0	0	0	113	S532 R533 T534	S532-S536 WeakPolarHBondContact O-CB 3.25Å; S532-S536 PolarHBondContact O-N 3.21Å; S532-S536 PolarHBondContact O-OG 3.01Å; S532-S536 VanDerWaalsContact O-OG 3.08Å; R533-S536 WeakPolarHBondContact CA-OG 3.35Å; R533-S536 PolarHBondContact O-N 2.95Å; R533-S536 PolarHBondContact O-OG 3.37Å; T534-S536 VanDerWaalsContact C-N 3.3Å; T534-S536 PolarHBondContact O-N 2.68Å
537	S	42.4	Very low	44.2	Very low	65 Å²	65	100.3 Å²	100.3	46%	0.455	54%	0.541	S	S	.	.	H	α-helix	trans	-87.9	-31.5	-178	175.5	0	0	0	0	113.8	R533 T534 N539 D540	R533-S537 WeakPolarHBondContact O-CB 3.23Å; R533-S537 PolarHBondContact O-N 2.76Å; T534-S537 PolarHBondContact O-N 2.82Å; S537-N539 VanDerWaalsContact C-N 3.25Å; S537-N539 PolarHBondContact O-N 3.26Å; S537-D540 WeakPolarHBondContact O-CB 3.44Å; S537-D540 PolarHBondContact O-N 3.4Å; S537-D540 VanDerWaalsContact O-N 3.07Å
538	Q	40.9	Very low	43.6	Very low	116 Å²	116	104.4 Å²	104.4	54%	0.542	56%	0.558	S	S	.	*	H	α-helix	trans	-79.6	-11.5	-179.2	-157	171	10.2	0	0	112.4	T534 D540	T534-Q538 WeakPolarHBondContact O-CA 3.43Å; T534-Q538 WeakPolarHBondContact O-CB 3.24Å; T534-Q538 PolarHBondContact O-N 3.43Å; Q538-D540 PolarHBondContact O-N 2.77Å
539	N	43	Very low	42.9	Very low	129 Å²	129	107.5 Å²	107.5	69%	0.69	57%	0.573	S	S	*	*	H	α-helix	trans	-70.6	-10.3	163.6	-81.1	-3.6	0	0	0	112.8	R535 S537	R535-N539 PolarHBondContact O-ND2 3.23Å; S537-N539 VanDerWaalsContact C-N 3.25Å; S537-N539 PolarHBondContact O-N 3.26Å
540	D	43.6	Very low	42.3	Very low	128 Å²	128	110.3 Å²	110.3	68%	0.684	59%	0.585	S	S	*	*	H	α-helix	trans	-88.4	-29.5	177.2	-70	-25.2	0	0	0	113.3	S537 Q538	S537-D540 WeakPolarHBondContact O-CB 3.44Å; S537-D540 PolarHBondContact O-N 3.4Å; S537-D540 VanDerWaalsContact O-N 3.07Å; Q538-D540 PolarHBondContact O-N 2.77Å
541	D	46	Very low	41.9	Very low	144 Å²	144	112.9 Å²	112.9	77%	0.77	60%	0.599	S	S	*	*	H	α-helix	trans	-119	-14.2	-167.5	-73.3	-19.4	0	0	0	117
542	T	40.4	Very low	41.5	Very low	89 Å²	89	117.4 Å²	117.4	55%	0.546	62%	0.618	S	S	.	*	S	Bend	trans	-147.3	92.8	176.4	57.7	0	0	0	0	111.4
543	L	36.1	Very low	40.8	Very low	134 Å²	134	119.7 Å²	119.7	70%	0.702	62%	0.623	S	S	*	*			trans	178.2	84.6	145	-93.9	156.9	0	0	0	109.4	D545	L543-D545 PolarHBondContact O-N 2.96Å; L543-D545 VanDerWaalsContact O-N 3.09Å
544	N	43.3	Very low	40.4	Very low	162 Å²	162	119.4 Å²	119.4	87%	0.866	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.6	-3.9	164.6	-97.4	-10.4	0	0	0	114
545	D	43.7	Very low	40.3	Very low	153 Å²	153	124 Å²	124	82%	0.818	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125	10.3	-175.1	-75.4	-29.2	0	0	0	115.3	L543	L543-D545 PolarHBondContact O-N 2.96Å; L543-D545 VanDerWaalsContact O-N 3.09Å
546	G	34.2	Very low	40.3	Very low	52 Å²	52	125.2 Å²	125.2	54%	0.536	66%	0.658	S	S	.	*			trans	-96.6	1.5	175.6	0	0	0	0	0	115.2	E548	G546-E548 VanDerWaalsContact C-N 3.3Å; G546-E548 PolarHBondContact O-N 3.35Å
547	S	40.7	Very low	40.1	Very low	60 Å²	60	126.7 Å²	126.7	42%	0.42	67%	0.668	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.9	13.2	-163.6	63.2	0	0	0	0	115.5	N551	S547-N551 WeakPolarHBondContact O-CB 3.27Å
548	E	40.7	Very low	40.2	Very low	178 Å²	178	128.8 Å²	128.8	83%	0.832	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-24.7	-178.3	-85.2	-169.6	152.7	0	0	114.9	G546	G546-E548 VanDerWaalsContact C-N 3.3Å; G546-E548 PolarHBondContact O-N 3.35Å
549	I	39.4	Very low	40.5	Very low	137 Å²	137	125.3 Å²	125.3	70%	0.703	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	-36.3	-174.8	-56.9	178.9	0	0	0	112.1
550	F	37.9	Very low	40.6	Very low	159 Å²	159	125 Å²	125	70%	0.697	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.6	-18.1	-172.9	-73.7	-77.7	0	0	0	115.7	K552 I553	F550-K552 PolarHBondContact O-N 3.37Å; F550-K552 VanDerWaalsContact O-N 3.16Å; F550-I553 HydrophobicContact CD1-CD1 4.37Å; F550-I553 PolarHBondContact O-N 3.02Å
551	N	40.4	Very low	41	Very low	123 Å²	123	121.3 Å²	121.3	66%	0.658	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	1.4	167.9	-75.2	-8	0	0	0	113.2	S547	S547-N551 WeakPolarHBondContact O-CB 3.27Å
552	K	37.5	Very low	41.7	Very low	180 Å²	180	118.2 Å²	118.2	78%	0.783	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-6.3	173.6	-122.1	178.4	-172.7	174.4	0	114.2	F550 P554	F550-K552 PolarHBondContact O-N 3.37Å; F550-K552 VanDerWaalsContact O-N 3.16Å; K552-P554 VanDerWaalsContact O-CD 3.32Å; K552-P554 WeakPolarHBondContact O-CD 3.26Å
553	I	34.7	Very low	43.2	Very low	117 Å²	117	117.4 Å²	117.4	60%	0.6	64%	0.641	S	S	*	*	S	Bend	trans	-89.2	105.9	165.5	-55.1	166	0	0	0	104.7	F550 H555	F550-I553 HydrophobicContact CD1-CD1 4.37Å; F550-I553 PolarHBondContact O-N 3.02Å; I553-H555 PolarHBondContact O-N 2.97Å
554	P	34.9	Very low	44.8	Very low	98 Å²	98	114.3 Å²	114.3	64%	0.636	62%	0.622	S	S	*	*			trans	-62.3	112.8	178	16.2	-12.1	0	0	0	106.8	K552 Y556	K552-P554 VanDerWaalsContact O-CD 3.32Å; K552-P554 WeakPolarHBondContact O-CD 3.26Å; P554-Y556 PolarHBondContact O-N 3.45Å
555	H	38.5	Very low	46.1	Very low	158 Å²	158	114.7 Å²	114.7	73%	0.731	61%	0.613	S	S	*	*	S	Bend	trans	-41.2	138.1	146.4	-80.4	-87.8	0	0	0	106.6	I553	I553-H555 PolarHBondContact O-N 2.97Å
556	Y	41.9	Very low	47.5	Very low	191 Å²	191	107.4 Å²	107.4	75%	0.749	57%	0.574	S	S	*	*			trans	60	69.1	176	81.8	-90.1	0	0	0	115.4	P554 I558	P554-Y556 PolarHBondContact O-N 3.45Å; Y556-I558 HydrophobicContact CD2-CD1 3.63Å; Y556-I558 HydrophobicContact CD2-CG1 3.78Å; Y556-I558 HydrophobicContact CE2-CD1 4.35Å; Y556-I558 HydrophobicContact CG-CD1 4.48Å; Y556-I558 HydrophobicContact CG-CG1 4.33Å; Y556-I558 PolarHBondContact O-N 2.93Å
557	S	41.2	Very low	49.5	Very low	87 Å²	87	106.7 Å²	106.7	61%	0.608	56%	0.558	S	S	*	*			trans	-69	87.4	138.2	63.9	0	0	0	0	105.9	I559	S557-I559 PolarHBondContact O-N 2.97Å
558	I	46.3	Very low	50.9	Low	110 Å²	110	105.1 Å²	105.1	56%	0.564	54%	0.544	S	S	*	.			trans	-61.6	99.7	167.4	-55.1	156.8	0	0	0	103.6	Y556 V560	Y556-I558 HydrophobicContact CD2-CD1 3.63Å; Y556-I558 HydrophobicContact CD2-CG1 3.78Å; Y556-I558 HydrophobicContact CE2-CD1 4.35Å; Y556-I558 HydrophobicContact CG-CD1 4.48Å; Y556-I558 HydrophobicContact CG-CG1 4.33Å; Y556-I558 PolarHBondContact O-N 2.93Å; I558-V560 HydrophobicContact CB-CG2 3.88Å; I558-V560 HydrophobicContact CG2-CB 4.4Å; I558-V560 HydrophobicContact CG2-CG2 3.22Å; I558-V560 PolarHBondContact O-N 3.07Å
559	I	45.3	Very low	52.4	Low	43 Å²	43	98.2 Å²	98.2	22%	0.221	52%	0.515	C	S	.	.			trans	-69.7	81	170.1	-58.9	161.6	0	0	0	104.3	S557 S561 A566 V569 R570	S557-I559 PolarHBondContact O-N 2.97Å; I559-S561 PolarHBondContact O-N 3.27Å; I559-A566 HydrophobicContact CB-CB 4.36Å; I559-A566 HydrophobicContact CG2-CB 3.39Å; I559-V569 HydrophobicContact CD1-CB 3.97Å; I559-V569 HydrophobicContact CD1-CG1 3.39Å; I559-R570 PolarHBondContact O-NH2 3.36Å
560	V	46.5	Very low	54	Low	121 Å²	121	96.3 Å²	96.3	73%	0.733	50%	0.499	S	S	*	.			trans	-77.2	77.6	176	-171.7	0	0	0	0	107.3	I558	I558-V560 HydrophobicContact CB-CG2 3.88Å; I558-V560 HydrophobicContact CG2-CB 4.4Å; I558-V560 HydrophobicContact CG2-CG2 3.22Å; I558-V560 PolarHBondContact O-N 3.07Å
561	S	50.9	Low	55.6	Low	51 Å²	51	89.8 Å²	89.8	36%	0.357	47%	0.471	S	S	.	.			trans	-157.1	118.8	160	40.3	0	0	0	0	106	I559 T563 A566	I559-S561 PolarHBondContact O-N 3.27Å; S561-T563 PolarHBondContact O-N 3Å; S561-A566 WeakPolarHBondContact O-CB 3.27Å
562	G	61.5	Low	57.1	Low	79 Å²	79	87.8 Å²	87.8	81%	0.814	46%	0.459	S	S	*	.			trans	-70.9	38.5	175.5	0	0	0	0	0	112.7
563	T	71.2	Confident	58.7	Low	72 Å²	72	82.7 Å²	82.7	44%	0.442	44%	0.44	S	S	.	.	S	Bend	trans	-85.2	149.5	176.9	57.8	0	0	0	0	109	S561 Y565 A566 N567	S561-T563 PolarHBondContact O-N 3Å; T563-Y565 PolarHBondContact O-N 3.26Å; T563-Y565 VanDerWaalsContact O-N 3.1Å; T563-A566 WeakPolarHBondContact O-CB 3.25Å; T563-A566 PolarHBondContact O-N 3.46Å; T563-N567 PolarHBondContact O-N 3.02Å
564	F	70.9	Confident	60.4	Low	69 Å²	69	81.1 Å²	81.1	30%	0.303	43%	0.433	S	S	.	.	H	α-helix	trans	-43.8	-43.9	173.3	168.2	-101.6	0	0	0	113	E236 F237 M240 A566 N567 I568	E236-F564 HydrophobicContact CB-CD2 4.16Å; E236-F564 HydrophobicContact CB-CE2 4.19Å; F237-F564 HydrophobicContact CD1-CZ 4.14Å; F237-F564 HydrophobicContact CD2-CE2 4.07Å; F237-F564 AromaticContact CD2-CZ 3.87Å; F237-F564 HydrophobicContact CD2-CZ 3.87Å; F237-F564 AromaticContact CE1-CZ 3.97Å; F237-F564 HydrophobicContact CE1-CZ 3.97Å; F237-F564 HydrophobicContact CE2-CE2 4.34Å; F237-F564 AromaticContact CE2-CZ 3.69Å; F237-F564 HydrophobicContact CE2-CZ 3.69Å; F237-F564 HydrophobicContact CG-CE2 4.2Å; F237-F564 HydrophobicContact CG-CZ 4.11Å; F237-F564 AromaticContact CZ-CZ 3.75Å; F237-F564 HydrophobicContact CZ-CZ 3.75Å; M240-F564 HydrophobicContact CB-CE2 4.45Å; M240-F564 HydrophobicContact SD-CE1 4.2Å; M240-F564 HydrophobicContact SD-CE2 4.18Å; M240-F564 HydrophobicContact SD-CZ 3.97Å; F564-A566 PolarHBondContact O-N 3.28Å; F564-N567 PolarHBondContact O-N 3.12Å; F564-I568 HydrophobicContact CD1-CD1 3.91Å; F564-I568 HydrophobicContact CD2-CD1 4.14Å; F564-I568 HydrophobicContact CE1-CD1 3.36Å; F564-I568 HydrophobicContact CE2-CD1 3.62Å; F564-I568 HydrophobicContact CE2-CG1 4.45Å; F564-I568 HydrophobicContact CG-CD1 4.28Å; F564-I568 HydrophobicContact CZ-CD1 3.22Å; F564-I568 HydrophobicContact CZ-CG1 4.45Å; F564-I568 PolarHBondContact O-N 2.69Å; F564-I568 VanDerWaalsContact O-N 3.15Å
565	Y	70.8	Confident	61.9	Low	171 Å²	171	77.5 Å²	77.5	67%	0.671	41%	0.408	S	S	*	.	H	α-helix	trans	-61.8	-41.7	178.7	-176	-99.2	0	0	0	112.8	T563 I568 V569	T563-Y565 PolarHBondContact O-N 3.26Å; T563-Y565 VanDerWaalsContact O-N 3.1Å; Y565-I568 PolarHBondContact O-N 3.43Å; Y565-V569 HydrophobicContact CD1-CG2 4.14Å; Y565-V569 HydrophobicContact CE1-CG2 3.73Å; Y565-V569 HydrophobicContact CE2-CG2 4.34Å; Y565-V569 WeakPolarHBondContact O-CG2 3.47Å; Y565-V569 PolarHBondContact O-N 2.68Å
566	A	72.5	Confident	63.2	Low	0 Å²	0	75.1 Å²	75.1	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-67.4	-38.8	179.7	0	0	0	0	0	112.7	I559 S561 T563 F564 V569 R570	I559-A566 HydrophobicContact CB-CB 4.36Å; I559-A566 HydrophobicContact CG2-CB 3.39Å; S561-A566 WeakPolarHBondContact O-CB 3.27Å; T563-A566 WeakPolarHBondContact O-CB 3.25Å; T563-A566 PolarHBondContact O-N 3.46Å; F564-A566 PolarHBondContact O-N 3.28Å; A566-V569 PolarHBondContact O-N 3.44Å; A566-R570 WeakPolarHBondContact O-CG 3.11Å; A566-R570 PolarHBondContact O-N 2.72Å
567	N	75.2	Confident	64.3	Low	36 Å²	36	70.7 Å²	70.7	19%	0.193	39%	0.388	C	S	.	.	H	α-helix	trans	-65.3	-40.5	177.1	-72	-3.7	0	0	0	110.9	E236 T563 F564 R570 N571	E236-N567 HydrophobicContact CG-CB 4.21Å; E236-N567 PolarHBondContact OE1-ND2 3.35Å; T563-N567 PolarHBondContact O-N 3.02Å; F564-N567 PolarHBondContact O-N 3.12Å; N567-R570 PolarHBondContact O-N 3.31Å; N567-N571 PolarHBondContact O-N 3.28Å; N567-N571 PolarHBondContact O-ND2 3.4Å; N567-N571 PolarHBondContact O-OD1 3.17Å
568	I	71.2	Confident	65.1	Low	27 Å²	27	70.6 Å²	70.6	14%	0.138	38%	0.379	C	S	.	.	H	α-helix	trans	-61.8	-47.8	173.7	-70.5	170.5	0	0	0	111.5	F237 F564 Y565 R570 N571 I572	F237-I568 HydrophobicContact CD2-CD1 4.45Å; F237-I568 HydrophobicContact CE2-CD1 3.94Å; F564-I568 HydrophobicContact CD1-CD1 3.91Å; F564-I568 HydrophobicContact CD2-CD1 4.14Å; F564-I568 HydrophobicContact CE1-CD1 3.36Å; F564-I568 HydrophobicContact CE2-CD1 3.62Å; F564-I568 HydrophobicContact CE2-CG1 4.45Å; F564-I568 HydrophobicContact CG-CD1 4.28Å; F564-I568 HydrophobicContact CZ-CD1 3.22Å; F564-I568 HydrophobicContact CZ-CG1 4.45Å; F564-I568 PolarHBondContact O-N 2.69Å; F564-I568 VanDerWaalsContact O-N 3.15Å; Y565-I568 PolarHBondContact O-N 3.43Å; I568-R570 VanDerWaalsContact C-N 3.33Å; I568-R570 PolarHBondContact O-N 2.68Å; I568-N571 PolarHBondContact O-N 3.44Å; I568-I572 HydrophobicContact CG2-CD1 3.77Å; I568-I572 HydrophobicContact CG2-CG1 4.46Å; I568-I572 WeakPolarHBondContact O-CG1 3.2Å; I568-I572 PolarHBondContact O-N 3.42Å
569	V	72.1	Confident	65.7	Low	34 Å²	34	66.6 Å²	66.6	21%	0.206	36%	0.36	C	S	.	.	H	α-helix	trans	-63.5	-39.2	-178.7	173.4	0	0	0	0	111.5	I559 Y565 A566 I572 L573	I559-V569 HydrophobicContact CD1-CB 3.97Å; I559-V569 HydrophobicContact CD1-CG1 3.39Å; Y565-V569 HydrophobicContact CD1-CG2 4.14Å; Y565-V569 HydrophobicContact CE1-CG2 3.73Å; Y565-V569 HydrophobicContact CE2-CG2 4.34Å; Y565-V569 WeakPolarHBondContact O-CG2 3.47Å; Y565-V569 PolarHBondContact O-N 2.68Å; A566-V569 PolarHBondContact O-N 3.44Å; V569-I572 PolarHBondContact O-N 3.09Å; V569-L573 HydrophobicContact CG1-CD1 3.87Å; V569-L573 PolarHBondContact O-N 3.1Å
570	R	72.8	Confident	66.2	Low	97 Å²	97	71.4 Å²	71.4	37%	0.366	38%	0.38	S	S	.	.	H	α-helix	trans	-61.2	-48.5	173.5	-74.1	177.1	-170.4	165.5	-2.4	111.7	I559 A566 N567 I568 I572 L573 D574	I559-R570 PolarHBondContact O-NH2 3.36Å; A566-R570 WeakPolarHBondContact O-CG 3.11Å; A566-R570 PolarHBondContact O-N 2.72Å; N567-R570 PolarHBondContact O-N 3.31Å; I568-R570 VanDerWaalsContact C-N 3.33Å; I568-R570 PolarHBondContact O-N 2.68Å; R570-I572 PolarHBondContact O-N 3.41Å; R570-L573 WeakPolarHBondContact O-CB 3.4Å; R570-L573 PolarHBondContact O-N 3.22Å; R570-D574 VanDerWaalsContact O-CG 3.3Å; R570-D574 PolarHBondContact O-N 3.38Å
571	N	72.2	Confident	66.4	Low	21 Å²	21	71.2 Å²	71.2	11%	0.112	37%	0.374	C	S	.	.	H	α-helix	trans	-60.1	-36.2	178.7	-66.1	-9.8	0	0	0	111.9	N232 I233 N567 I568 I575	N232-N571 WeakPolarHBondContact CB-ND2 3.11Å; I233-N571 HydrophobicContact CD1-CB 4.01Å; I233-N571 HydrophobicContact CG1-CB 3.78Å; N567-N571 PolarHBondContact O-N 3.28Å; N567-N571 PolarHBondContact O-ND2 3.4Å; N567-N571 PolarHBondContact O-OD1 3.17Å; I568-N571 PolarHBondContact O-N 3.44Å; N571-I575 WeakPolarHBondContact O-CD1 3.47Å; N571-I575 VanDerWaalsContact O-CG1 3.3Å; N571-I575 WeakPolarHBondContact O-CG1 3.02Å; N571-I575 PolarHBondContact O-N 3.47Å
572	I	71.3	Confident	66.5	Low	82 Å²	82	70.8 Å²	70.8	42%	0.421	37%	0.37	S	S	.	.	H	α-helix	trans	-68.9	-41.1	174.9	-66.4	168.1	0	0	0	111.6	I233 I568 V569 R570 I575 L576	I233-I572 HydrophobicContact CD1-CG1 4.48Å; I568-I572 HydrophobicContact CG2-CD1 3.77Å; I568-I572 HydrophobicContact CG2-CG1 4.46Å; I568-I572 WeakPolarHBondContact O-CG1 3.2Å; I568-I572 PolarHBondContact O-N 3.42Å; V569-I572 PolarHBondContact O-N 3.09Å; R570-I572 PolarHBondContact O-N 3.41Å; I572-I575 WeakPolarHBondContact O-CB 3.45Å; I572-I575 PolarHBondContact O-N 3.36Å; I572-L576 HydrophobicContact CG2-CD1 4.42Å; I572-L576 WeakPolarHBondContact O-CG 3.37Å; I572-L576 PolarHBondContact O-N 2.74Å
573	L	71.3	Confident	66	Low	72 Å²	72	72.3 Å²	72.3	38%	0.377	36%	0.358	S	S	.	.	H	α-helix	trans	-64.2	-41.3	176.3	-87.3	153.6	0	0	0	112.1	V569 R570 I575 L576 I577	V569-L573 HydrophobicContact CG1-CD1 3.87Å; V569-L573 PolarHBondContact O-N 3.1Å; R570-L573 WeakPolarHBondContact O-CB 3.4Å; R570-L573 PolarHBondContact O-N 3.22Å; L573-I575 VanDerWaalsContact C-N 3.31Å; L573-I575 PolarHBondContact O-N 2.81Å; L573-L576 PolarHBondContact O-N 2.88Å; L573-L576 VanDerWaalsContact O-N 3.09Å; L573-I577 WeakPolarHBondContact O-CG1 3.41Å; L573-I577 PolarHBondContact O-N 3.3Å
574	D	69.4	Low	65	Low	85 Å²	85	73.7 Å²	73.7	46%	0.455	36%	0.361	S	S	.	.	H	α-helix	trans	-61.4	-40.7	178.1	-68.4	-21.4	0	0	0	111.2	R570 L576 I577 Q578	R570-D574 VanDerWaalsContact O-CG 3.3Å; R570-D574 PolarHBondContact O-N 3.38Å; D574-L576 PolarHBondContact O-N 3.32Å; D574-I577 PolarHBondContact O-N 3.5Å; D574-Q578 VanDerWaalsContact O-CB 3.25Å; D574-Q578 WeakPolarHBondContact O-CB 3.35Å; D574-Q578 PolarHBondContact O-N 3.37Å
575	I	67.3	Low	63.8	Low	22 Å²	22	77.7 Å²	77.7	11%	0.113	39%	0.386	C	S	.	.	H	α-helix	trans	-57.8	-46.3	171.7	-69.2	165.4	0	0	0	111.3	F226 N571 I572 L573 S579	F226-I575 HydrophobicContact CD1-CD1 4.24Å; F226-I575 HydrophobicContact CD1-CG1 4.44Å; F226-I575 HydrophobicContact CD1-CG2 4.05Å; F226-I575 HydrophobicContact CE1-CD1 4.37Å; F226-I575 HydrophobicContact CE1-CG1 4.49Å; F226-I575 HydrophobicContact CE1-CG2 3.32Å; F226-I575 HydrophobicContact CZ-CG2 3.66Å; N571-I575 WeakPolarHBondContact O-CD1 3.47Å; N571-I575 VanDerWaalsContact O-CG1 3.3Å; N571-I575 WeakPolarHBondContact O-CG1 3.02Å; N571-I575 PolarHBondContact O-N 3.47Å; I572-I575 WeakPolarHBondContact O-CB 3.45Å; I572-I575 PolarHBondContact O-N 3.36Å; L573-I575 VanDerWaalsContact C-N 3.31Å; L573-I575 PolarHBondContact O-N 2.81Å; I575-S579 VanDerWaalsContact O-CB 3.27Å; I575-S579 WeakPolarHBondContact O-CB 3.36Å; I575-S579 PolarHBondContact O-N 2.89Å; I575-S579 PolarHBondContact O-OG 3.29Å
576	L	65.7	Low	62.9	Low	107 Å²	107	72.3 Å²	72.3	56%	0.56	37%	0.373	S	S	*	.	H	α-helix	trans	-68.6	-41.1	-176.9	-70.9	172.5	0	0	0	112.1	I572 L573 D574 S579 K580	I572-L576 HydrophobicContact CG2-CD1 4.42Å; I572-L576 WeakPolarHBondContact O-CG 3.37Å; I572-L576 PolarHBondContact O-N 2.74Å; L573-L576 PolarHBondContact O-N 2.88Å; L573-L576 VanDerWaalsContact O-N 3.09Å; D574-L576 PolarHBondContact O-N 3.32Å; L576-S579 PolarHBondContact O-OG 3.12Å; L576-K580 PolarHBondContact O-N 3.46Å
577	I	64.2	Low	61.9	Low	98 Å²	98	76.3 Å²	76.3	50%	0.503	40%	0.395	S	S	.	.	H	α-helix	trans	-66.8	-47.9	178.2	-66.7	166.4	0	0	0	110	L573 D574 S579 K580 D581	L573-I577 WeakPolarHBondContact O-CG1 3.41Å; L573-I577 PolarHBondContact O-N 3.3Å; D574-I577 PolarHBondContact O-N 3.5Å; I577-S579 VanDerWaalsContact C-N 3.35Å; I577-S579 PolarHBondContact O-N 3.5Å; I577-K580 WeakPolarHBondContact O-CB 3.35Å; I577-K580 PolarHBondContact O-N 2.84Å; I577-D581 PolarHBondContact O-N 3.15Å
578	Q	59.5	Low	61	Low	86 Å²	86	75.6 Å²	75.6	40%	0.402	39%	0.392	S	S	.	.	H	α-helix	trans	-71.7	-28.7	-176.1	-157.8	170.4	12.7	0	0	113.3	I225 D574 K580 T582	I225-Q578 HydrophobicContact CD1-CG 3.69Å; I225-Q578 VanDerWaalsContact CD1-NE2 3.34Å; I225-Q578 HydrophobicContact CG1-CG 4.41Å; I225-Q578 HydrophobicContact CG2-CB 4.43Å; I225-Q578 HydrophobicContact CG2-CG 4.43Å; D574-Q578 VanDerWaalsContact O-CB 3.25Å; D574-Q578 WeakPolarHBondContact O-CB 3.35Å; D574-Q578 PolarHBondContact O-N 3.37Å; Q578-K580 VanDerWaalsContact C-N 3.34Å; Q578-T582 WeakPolarHBondContact O-CG2 3.49Å; Q578-T582 PolarHBondContact O-N 2.89Å; Q578-T582 PolarHBondContact O-OG1 2.71Å; Q578-T582 VanDerWaalsContact O-OG1 3.11Å
579	S	58.2	Low	60.3	Low	26 Å²	26	76.9 Å²	76.9	18%	0.182	40%	0.401	C	S	.	.	H	α-helix	trans	-66.4	-35.1	171.4	62.7	0	0	0	0	112.3	I575 L576 I577 D581 T582 I583	I575-S579 VanDerWaalsContact O-CB 3.27Å; I575-S579 WeakPolarHBondContact O-CB 3.36Å; I575-S579 PolarHBondContact O-N 2.89Å; I575-S579 PolarHBondContact O-OG 3.29Å; L576-S579 PolarHBondContact O-OG 3.12Å; I577-S579 VanDerWaalsContact C-N 3.35Å; I577-S579 PolarHBondContact O-N 3.5Å; S579-D581 PolarHBondContact O-N 3.23Å; S579-T582 PolarHBondContact O-N 2.69Å; S579-T582 PolarHBondContact O-OG1 3.36Å; S579-T582 VanDerWaalsContact O-OG1 3.06Å; S579-I583 WeakPolarHBondContact O-CD1 3.41Å; S579-I583 WeakPolarHBondContact O-CG1 3.21Å; S579-I583 PolarHBondContact O-N 2.71Å
580	K	55	Low	59.8	Low	144 Å²	144	81.1 Å²	81.1	63%	0.626	43%	0.427	S	S	*	.	H	α-helix	trans	-62.2	-44.4	176.4	-175.4	-173.3	172.1	-169.1	0	112	L576 I577 Q578 T582	L576-K580 PolarHBondContact O-N 3.46Å; I577-K580 WeakPolarHBondContact O-CB 3.35Å; I577-K580 PolarHBondContact O-N 2.84Å; Q578-K580 VanDerWaalsContact C-N 3.34Å; K580-T582 VanDerWaalsContact C-N 3.28Å; K580-T582 PolarHBondContact O-N 3.49Å
581	D	52.2	Low	59.4	Low	117 Å²	117	76.9 Å²	76.9	63%	0.626	41%	0.412	S	S	*	.	H	α-helix	trans	-70.6	-24.2	-176.1	-65.5	-21.6	0	0	0	113	I577 S579	I577-D581 PolarHBondContact O-N 3.15Å; S579-D581 PolarHBondContact O-N 3.23Å
582	T	52.3	Low	58.9	Low	42 Å²	42	80.3 Å²	80.3	26%	0.258	43%	0.427	S	S	.	.	H	α-helix	trans	-89	-26.6	-176.6	50.4	0	0	0	0	114	Q578 S579 K580 I584	Q578-T582 WeakPolarHBondContact O-CG2 3.49Å; Q578-T582 PolarHBondContact O-N 2.89Å; Q578-T582 PolarHBondContact O-OG1 2.71Å; Q578-T582 VanDerWaalsContact O-OG1 3.11Å; S579-T582 PolarHBondContact O-N 2.69Å; S579-T582 PolarHBondContact O-OG1 3.36Å; S579-T582 VanDerWaalsContact O-OG1 3.06Å; K580-T582 VanDerWaalsContact C-N 3.28Å; K580-T582 PolarHBondContact O-N 3.49Å; T582-I584 VanDerWaalsContact C-N 3.29Å; T582-I584 PolarHBondContact O-N 3.34Å
583	I	50.1	Low	58.4	Low	110 Å²	110	77.4 Å²	77.4	56%	0.564	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-12.9	-172.1	-70.4	163.9	0	0	0	113.7	S579	S579-I583 WeakPolarHBondContact O-CD1 3.41Å; S579-I583 WeakPolarHBondContact O-CG1 3.21Å; S579-I583 PolarHBondContact O-N 2.71Å
584	I	50.2	Low	57.6	Low	101 Å²	101	81.2 Å²	81.2	52%	0.518	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-4.9	-159.3	-61.2	170.6	0	0	0	116	T582 S586	T582-I584 VanDerWaalsContact C-N 3.29Å; T582-I584 PolarHBondContact O-N 3.34Å; I584-S586 PolarHBondContact O-N 2.69Å
585	N	46	Very low	57.1	Low	153 Å²	153	80 Å²	80	82%	0.818	43%	0.426	S	S	*	.			trans	-94.3	29	-174.6	-92.9	29	0	0	0	116.8	D587	N585-D587 PolarHBondContact O-N 2.92Å
586	S	52.2	Low	56.5	Low	58 Å²	58	83.9 Å²	83.9	41%	0.406	45%	0.446	S	S	.	.			trans	-87.4	108	177.6	62.4	0	0	0	0	112.8	N214 I584 V588	N214-S586 WeakPolarHBondContact ND2-CB 3.32Å; I584-S586 PolarHBondContact O-N 2.69Å; S586-V588 PolarHBondContact O-N 3.32Å
587	D	50.9	Low	56.1	Low	84 Å²	84	83.2 Å²	83.2	45%	0.449	45%	0.45	S	S	.	.			trans	-87.6	73.4	175	-86.2	-9.3	0	0	0	112.3	E210 R533 N585 T589 V590	E210-D587 PolarHBondContact OE1-N 3.16Å; R533-D587 IonicContact CZ-OD1 3.34Å; R533-D587 IonicContact NH2-OD1 2.75Å; R533-D587 PolarHBondContact NH2-OD1 3.35Å; N585-D587 PolarHBondContact O-N 2.92Å; D587-T589 PolarHBondContact O-N 3.16Å; D587-V590 PolarHBondContact O-N 2.83Å
588	V	56.1	Low	55.9	Low	21 Å²	21	80.8 Å²	80.8	13%	0.127	44%	0.437	C	S	.	.	G	3₁₀ helix	trans	-66.6	-1.6	177.2	-149.5	0	0	0	0	113.8	V207 E210 S586 V590 C591	V207-V588 HydrophobicContact CB-CG1 4.48Å; V207-V588 HydrophobicContact CG1-CG1 4.35Å; V207-V588 HydrophobicContact CG2-CG1 3.83Å; E210-V588 PolarHBondContact OE1-N 3.01Å; E210-V588 VanDerWaalsContact OE2-CA 3.26Å; E210-V588 WeakPolarHBondContact OE2-CA 3.27Å; S586-V588 PolarHBondContact O-N 3.32Å; V588-V590 PolarHBondContact O-N 3.35Å; V588-C591 PolarHBondContact O-N 2.9Å
589	T	56.8	Low	56.1	Low	55 Å²	55	81.4 Å²	81.4	34%	0.337	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-61.9	-24	173.8	48.4	0	0	0	0	113.3	D587 C591 H592	D587-T589 PolarHBondContact O-N 3.16Å; T589-C591 PolarHBondContact O-N 3.09Å; T589-H592 PolarHBondContact O-N 2.76Å
590	V	61.5	Low	56.8	Low	122 Å²	122	86.3 Å²	86.3	74%	0.739	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-65	-26.9	178.2	-178.6	0	0	0	0	111.6	D587 V588 H592	D587-V590 PolarHBondContact O-N 2.83Å; V588-V590 PolarHBondContact O-N 3.35Å; V590-H592 VanDerWaalsContact C-N 3.26Å; V590-H592 PolarHBondContact O-N 2.85Å
591	C	66.1	Low	58.1	Low	8 Å²	8	85.1 Å²	85.1	5%	0.054	46%	0.462	C	S	.	.	G	3₁₀ helix	trans	-83	9.3	-177.1	-64	0	0	0	0	114.3	F203 C206 V207 V588 T589 P593	F203-C591 HydrophobicContact CD2-CB 4.28Å; F203-C591 VanDerWaalsContact CD2-O 3.23Å; F203-C591 WeakPolarHBondContact CD2-O 3.33Å; F203-C591 HydrophobicContact CE2-CB 4.26Å; C206-C591 HydrophobicContact CB-CB 3.66Å; C206-C591 WeakPolarHBondContact CB-SG 3.27Å; C206-C591 WeakPolarHBondContact SG-CA 3.21Å; C206-C591 WeakPolarHBondContact SG-CB 3.47Å; C206-C591 CovalentContact SG-SG 2.04Å; C206-C591 PolarHBondContact SG-SG 3.38Å; V207-C591 HydrophobicContact CG2-CB 4.3Å; V588-C591 PolarHBondContact O-N 2.9Å; T589-C591 PolarHBondContact O-N 3.09Å; C591-P593 WeakPolarHBondContact O-CD 3.31Å
592	H	61.1	Low	59.4	Low	93 Å²	93	82 Å²	82	43%	0.431	45%	0.445	S	S	.	.			trans	-55.1	121.4	-176	-132.1	-73	0	0	0	112.2	S526 T589 V590 I594	S526-H592 WeakPolarHBondContact CB-NE2 3.25Å; S526-H592 PolarHBondContact OG-NE2 2.8Å; T589-H592 PolarHBondContact O-N 2.76Å; V590-H592 VanDerWaalsContact C-N 3.26Å; V590-H592 PolarHBondContact O-N 2.85Å; H592-I594 PolarHBondContact O-N 3.02Å
593	P	59.9	Low	60.8	Low	22 Å²	22	81.3 Å²	81.3	14%	0.143	44%	0.44	C	S	.	.			trans	-71.7	118.1	177.5	27.6	-30.7	0	0	0	109.6	F203 T522 C591 L595	F203-P593 HydrophobicContact CD2-CG 4.39Å; T522-P593 HydrophobicContact CG2-CG 3.6Å; C591-P593 WeakPolarHBondContact O-CD 3.31Å; P593-L595 PolarHBondContact O-N 3.38Å
594	I	55.9	Low	62.6	Low	152 Å²	152	80.7 Å²	80.7	78%	0.779	44%	0.436	S	S	*	.			trans	-68.2	96.1	169.6	-56.4	165.9	0	0	0	107.5	K199 H592	K199-I594 WeakPolarHBondContact CE-O 3.41Å; K199-I594 PolarHBondContact NZ-O 3.35Å; H592-I594 PolarHBondContact O-N 3.02Å
595	L	57.6	Low	64.4	Low	60 Å²	60	79.2 Å²	79.2	31%	0.314	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-77.5	122.1	176.9	-68.9	166.4	0	0	0	109.2	K199 L519 T522 P593	K199-L595 HydrophobicContact CD-CD2 3.91Å; L519-L595 HydrophobicContact CB-CD1 4.31Å; L519-L595 HydrophobicContact CD1-CD1 3.42Å; L519-L595 VanDerWaalsContact CD1-CD1 3.42Å; L519-L595 HydrophobicContact CG-CD1 4.48Å; T522-L595 HydrophobicContact CG2-CD1 4.26Å; P593-L595 PolarHBondContact O-N 3.38Å
596	I	55.3	Low	66.4	Low	103 Å²	103	72 Å²	72	53%	0.528	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-81.3	139.1	177.1	-70.6	166.4	0	0	0	107.6	Y195 K199	Y195-I596 WeakPolarHBondContact OH-CB 3.44Å; Y195-I596 WeakPolarHBondContact OH-CD1 3.4Å; Y195-I596 WeakPolarHBondContact OH-CG1 3.43Å; K199-I596 VanDerWaalsContact NZ-N 3.14Å
597	S	56.9	Low	68.1	Low	93 Å²	93	72.9 Å²	72.9	65%	0.65	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-58.5	140	177.1	52.7	0	0	0	0	111.7
598	Q	60.3	Low	69.9	Low	46 Å²	46	72.7 Å²	72.7	22%	0.215	40%	0.395	C	S	.	.			trans	-40.3	134.6	176.2	-178	177.8	-16.3	0	0	113.3	F600 N603	Q598-F600 VanDerWaalsContact C-N 3.32Å; Q598-F600 HydrophobicContact CB-CZ 4.47Å; Q598-F600 WeakPolarHBondContact O-CD2 3.41Å; Q598-F600 PolarHBondContact O-N 3.13Å; Q598-N603 PolarHBondContact NE2-ND2 3.41Å
599	D	64.4	Low	71.5	Confident	100 Å²	100	72.6 Å²	72.6	54%	0.535	39%	0.394	S	S	.	.			trans	-67.1	89.9	169.8	-76.6	-18.5	0	0	0	109.8	N601 N603	D599-N601 PolarHBondContact O-N 3.33Å; D599-N603 PolarHBondContact O-ND2 2.97Å; D599-N603 VanDerWaalsContact O-ND2 3.17Å
600	F	72.2	Confident	73.1	Confident	129 Å²	129	70.6 Å²	70.6	57%	0.566	38%	0.381	S	S	*	.	H	α-helix	trans	-60.4	-29.4	179.2	-71.4	-76.9	0	0	0	112.2	Q598 N602 N603 I604	Q598-F600 VanDerWaalsContact C-N 3.32Å; Q598-F600 HydrophobicContact CB-CZ 4.47Å; Q598-F600 WeakPolarHBondContact O-CD2 3.41Å; Q598-F600 PolarHBondContact O-N 3.13Å; F600-N602 PolarHBondContact O-N 2.74Å; F600-N603 PolarHBondContact O-N 3.26Å; F600-I604 HydrophobicContact CB-CD1 4.42Å; F600-I604 VanDerWaalsContact O-CG1 3.26Å; F600-I604 WeakPolarHBondContact O-CG1 3.34Å; F600-I604 PolarHBondContact O-N 3.41Å
601	N	81.5	Confident	74.5	Confident	119 Å²	119	68.4 Å²	68.4	64%	0.636	37%	0.368	S	S	*	.	H	α-helix	trans	-58.7	-47.1	-177.2	-72.9	1.2	0	0	0	113.1	D599 N603 I604 I605	D599-N601 PolarHBondContact O-N 3.33Å; N601-N603 VanDerWaalsContact C-N 3.33Å; N601-N603 PolarHBondContact O-N 3.01Å; N601-I604 PolarHBondContact O-N 2.83Å; N601-I605 WeakPolarHBondContact O-CG1 3.27Å; N601-I605 PolarHBondContact O-N 2.86Å
602	N	80.5	Confident	75.7	Confident	52 Å²	52	72.1 Å²	72.1	28%	0.278	39%	0.387	S	S	.	.	H	α-helix	trans	-65.4	-39.3	-179.3	-72.1	-11.1	0	0	0	111.5	N188 F600 I605 I606	N188-N602 PolarHBondContact OD1-ND2 2.91Å; F600-N602 PolarHBondContact O-N 2.74Å; N602-I605 PolarHBondContact O-N 3.38Å; N602-I606 VanDerWaalsContact O-CG1 3.25Å; N602-I606 WeakPolarHBondContact O-CG1 3.39Å; N602-I606 PolarHBondContact O-N 2.74Å
603	N	82	Confident	77	Confident	27 Å²	27	67.7 Å²	67.7	14%	0.144	37%	0.366	C	S	.	.	H	α-helix	trans	-68.5	-35.8	178.5	-61.2	-50.8	0	0	0	111.9	Q598 D599 F600 N601 I606 T607	Q598-N603 PolarHBondContact NE2-ND2 3.41Å; D599-N603 PolarHBondContact O-ND2 2.97Å; D599-N603 VanDerWaalsContact O-ND2 3.17Å; F600-N603 PolarHBondContact O-N 3.26Å; N601-N603 VanDerWaalsContact C-N 3.33Å; N601-N603 PolarHBondContact O-N 3.01Å; N603-I606 PolarHBondContact O-N 3.37Å; N603-T607 WeakPolarHBondContact O-CB 3.42Å; N603-T607 PolarHBondContact O-N 3.22Å; N603-T607 PolarHBondContact O-OG1 2.97Å
604	I	86.7	Confident	78.5	Confident	97 Å²	97	70.4 Å²	70.4	50%	0.497	38%	0.379	S	S	.	.	H	α-helix	trans	-62.1	-48.1	171.7	-68.6	163.4	0	0	0	109.7	F600 N601 I606 T607 T608	F600-I604 HydrophobicContact CB-CD1 4.42Å; F600-I604 VanDerWaalsContact O-CG1 3.26Å; F600-I604 WeakPolarHBondContact O-CG1 3.34Å; F600-I604 PolarHBondContact O-N 3.41Å; N601-I604 PolarHBondContact O-N 2.83Å; I604-I606 PolarHBondContact O-N 3.07Å; I604-T607 PolarHBondContact O-N 3.34Å; I604-T608 HydrophobicContact CG2-CG2 4.29Å; I604-T608 VanDerWaalsContact O-CG2 3.31Å; I604-T608 WeakPolarHBondContact O-CG2 3.47Å; I604-T608 PolarHBondContact O-N 2.91Å; I604-T608 PolarHBondContact O-OG1 3.24Å
605	I	88.5	Confident	80.1	Confident	70 Å²	70	66.9 Å²	66.9	36%	0.359	36%	0.36	S	S	.	.	H	α-helix	trans	-57.4	-49.8	177.8	-67.1	164.9	0	0	0	110.6	I184 N601 N602 T607 T608 L609	I184-I605 HydrophobicContact CD1-CG2 3.9Å; N601-I605 WeakPolarHBondContact O-CG1 3.27Å; N601-I605 PolarHBondContact O-N 2.86Å; N602-I605 PolarHBondContact O-N 3.38Å; I605-T607 VanDerWaalsContact C-N 3.31Å; I605-T607 PolarHBondContact O-N 3.37Å; I605-T608 WeakPolarHBondContact CA-OG1 3.48Å; I605-T608 PolarHBondContact O-N 3.4Å; I605-T608 PolarHBondContact O-OG1 2.84Å; I605-L609 HydrophobicContact CG2-CD1 3.99Å; I605-L609 HydrophobicContact CG2-CG 4.46Å; I605-L609 WeakPolarHBondContact O-CG 3.45Å; I605-L609 PolarHBondContact O-N 2.88Å
606	I	86.9	Confident	81.5	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-59	-44.6	178.7	-61.6	161.9	0	0	0	110.7	I184 I504 L508 N602 N603 I604 T608 L609 L610	I184-I606 HydrophobicContact CB-CG1 4.19Å; I184-I606 HydrophobicContact CG2-CD1 3.83Å; I184-I606 HydrophobicContact CG2-CG1 3.72Å; I504-I606 HydrophobicContact CG2-CG2 4.27Å; L508-I606 HydrophobicContact CD1-CG2 3.86Å; L508-I606 HydrophobicContact CD2-CD1 3.91Å; L508-I606 HydrophobicContact CD2-CG2 4.48Å; N602-I606 VanDerWaalsContact O-CG1 3.25Å; N602-I606 WeakPolarHBondContact O-CG1 3.39Å; N602-I606 PolarHBondContact O-N 2.74Å; N603-I606 PolarHBondContact O-N 3.37Å; I604-I606 PolarHBondContact O-N 3.07Å; I606-T608 PolarHBondContact O-N 3.42Å; I606-L609 PolarHBondContact O-N 3.38Å; I606-L610 HydrophobicContact CG2-CD1 4.32Å; I606-L610 WeakPolarHBondContact O-CG 3.48Å; I606-L610 PolarHBondContact O-N 2.73Å
607	T	88.1	Confident	83.1	Confident	77 Å²	77	60.5 Å²	60.5	47%	0.472	33%	0.328	S	S	.	.	H	α-helix	trans	-61.3	-43.7	178	-56	0	0	0	0	111.4	N603 I604 I605 L609 L610 V611	N603-T607 WeakPolarHBondContact O-CB 3.42Å; N603-T607 PolarHBondContact O-N 3.22Å; N603-T607 PolarHBondContact O-OG1 2.97Å; I604-T607 PolarHBondContact O-N 3.34Å; I605-T607 VanDerWaalsContact C-N 3.31Å; I605-T607 PolarHBondContact O-N 3.37Å; T607-L609 PolarHBondContact O-N 2.87Å; T607-L610 PolarHBondContact O-N 2.79Å; T607-V611 WeakPolarHBondContact O-CG2 3.42Å; T607-V611 PolarHBondContact O-N 3.37Å
608	T	90	Very high	84.5	Confident	81 Å²	81	60.3 Å²	60.3	50%	0.497	32%	0.32	S	S	.	.	H	α-helix	trans	-63.5	-39.2	177.2	60.9	0	0	0	0	112.5	I604 I605 I606 V611 L612	I604-T608 HydrophobicContact CG2-CG2 4.29Å; I604-T608 VanDerWaalsContact O-CG2 3.31Å; I604-T608 WeakPolarHBondContact O-CG2 3.47Å; I604-T608 PolarHBondContact O-N 2.91Å; I604-T608 PolarHBondContact O-OG1 3.24Å; I605-T608 WeakPolarHBondContact CA-OG1 3.48Å; I605-T608 PolarHBondContact O-N 3.4Å; I605-T608 PolarHBondContact O-OG1 2.84Å; I606-T608 PolarHBondContact O-N 3.42Å; T608-V611 PolarHBondContact O-N 2.97Å; T608-L612 WeakPolarHBondContact O-CB 3.27Å; T608-L612 PolarHBondContact O-N 3.04Å
609	L	89.2	Confident	85.8	Confident	18 Å²	18	61.8 Å²	61.8	9%	0.094	33%	0.328	C	S	.	.	H	α-helix	trans	-62.9	-44.5	175.3	-68.6	166.3	0	0	0	111.2	L177 F180 A181 I184 I605 I606 T607 L612 T613	L177-L609 HydrophobicContact CD2-CD2 3.68Å; F180-L609 HydrophobicContact CD1-CD1 3.44Å; F180-L609 VanDerWaalsContact CD1-CD1 3.44Å; F180-L609 HydrophobicContact CD1-CD2 3.9Å; F180-L609 HydrophobicContact CD1-CG 4.32Å; F180-L609 HydrophobicContact CE1-CD1 4.01Å; F180-L609 HydrophobicContact CG-CD1 4.41Å; A181-L609 HydrophobicContact CB-CB 4.21Å; A181-L609 HydrophobicContact CB-CD1 4.23Å; I184-L609 HydrophobicContact CD1-CD1 4.09Å; I605-L609 HydrophobicContact CG2-CD1 3.99Å; I605-L609 HydrophobicContact CG2-CG 4.46Å; I605-L609 WeakPolarHBondContact O-CG 3.45Å; I605-L609 PolarHBondContact O-N 2.88Å; I606-L609 PolarHBondContact O-N 3.38Å; T607-L609 PolarHBondContact O-N 2.87Å; L609-L612 PolarHBondContact O-N 3.41Å; L609-T613 VanDerWaalsContact O-CG2 3.25Å; L609-T613 WeakPolarHBondContact O-CG2 3.4Å; L609-T613 PolarHBondContact O-N 3.15Å
610	L	90.5	Very high	86.9	Confident	14 Å²	14	57.4 Å²	57.4	7%	0.073	31%	0.305	C	S	.	.	H	α-helix	trans	-62.3	-45.3	176.8	-67.5	178	0	0	0	111.6	L178 A181 I501 I504 V505 I606 T607 L612 T613 I614	L178-L610 HydrophobicContact CD2-CD2 4.22Å; A181-L610 HydrophobicContact CB-CD2 4.48Å; I501-L610 HydrophobicContact CG1-CD2 4.25Å; I501-L610 HydrophobicContact CG2-CD2 4.26Å; I504-L610 HydrophobicContact CD1-CD2 4.17Å; I504-L610 HydrophobicContact CG2-CD1 4.22Å; I504-L610 HydrophobicContact CG2-CD2 4.37Å; V505-L610 HydrophobicContact CG2-CD1 4.16Å; I606-L610 HydrophobicContact CG2-CD1 4.32Å; I606-L610 WeakPolarHBondContact O-CG 3.48Å; I606-L610 PolarHBondContact O-N 2.73Å; T607-L610 PolarHBondContact O-N 2.79Å; L610-L612 VanDerWaalsContact C-N 3.31Å; L610-L612 PolarHBondContact O-N 3.01Å; L610-T613 PolarHBondContact O-N 3.39Å; L610-T613 VanDerWaalsContact O-N 3.14Å; L610-T613 PolarHBondContact O-OG1 2.92Å; L610-I614 WeakPolarHBondContact O-CG1 3.21Å; L610-I614 PolarHBondContact O-N 3.48Å; L610-I614 VanDerWaalsContact O-N 3.11Å
611	V	91.7	Very high	87.7	Confident	75 Å²	75	51.7 Å²	51.7	46%	0.455	28%	0.28	S	S	.	.	H	α-helix	trans	-59.3	-43.6	175.8	171.7	0	0	0	0	111	T607 T608 T613 I614 I615	T607-V611 WeakPolarHBondContact O-CG2 3.42Å; T607-V611 PolarHBondContact O-N 3.37Å; T608-V611 PolarHBondContact O-N 2.97Å; V611-T613 VanDerWaalsContact C-N 3.29Å; V611-T613 PolarHBondContact O-N 3.38Å; V611-I614 PolarHBondContact O-N 3.4Å; V611-I614 VanDerWaalsContact O-N 3.17Å; V611-I615 HydrophobicContact CG1-CD1 3.93Å; V611-I615 HydrophobicContact CG1-CG1 4.49Å; V611-I615 WeakPolarHBondContact O-CG1 3.28Å; V611-I615 PolarHBondContact O-N 2.89Å
612	L	90.4	Very high	87.9	Confident	86 Å²	86	49 Å²	49	45%	0.45	26%	0.262	S	S	.	.	H	α-helix	trans	-63.1	-35.2	177.8	-171.4	60.8	0	0	0	112.2	L177 T608 L609 L610 I615 S616	L177-L612 HydrophobicContact CD1-CB 4.19Å; L177-L612 HydrophobicContact CD1-CD2 3.81Å; L177-L612 HydrophobicContact CD1-CG 3.71Å; L177-L612 HydrophobicContact CD2-CD2 3.67Å; L177-L612 HydrophobicContact CD2-CG 4.41Å; L177-L612 HydrophobicContact CG-CD2 4.41Å; T608-L612 WeakPolarHBondContact O-CB 3.27Å; T608-L612 PolarHBondContact O-N 3.04Å; L609-L612 PolarHBondContact O-N 3.41Å; L610-L612 VanDerWaalsContact C-N 3.31Å; L610-L612 PolarHBondContact O-N 3.01Å; L612-I615 PolarHBondContact O-N 3.37Å; L612-S616 WeakPolarHBondContact O-CB 3.48Å; L612-S616 PolarHBondContact O-N 3.39Å
613	T	89.3	Confident	88.2	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-66.2	-38.1	174.8	67.2	0	0	0	0	112.4	L177 L178 L609 L610 V611 S616 Q617	L177-T613 HydrophobicContact CB-CG2 3.4Å; L177-T613 HydrophobicContact CD1-CG2 3.98Å; L177-T613 HydrophobicContact CG-CG2 4.34Å; L178-T613 HydrophobicContact CD2-CG2 3.83Å; L178-T613 HydrophobicContact CG-CG2 3.72Å; L609-T613 VanDerWaalsContact O-CG2 3.25Å; L609-T613 WeakPolarHBondContact O-CG2 3.4Å; L609-T613 PolarHBondContact O-N 3.15Å; L610-T613 PolarHBondContact O-N 3.39Å; L610-T613 VanDerWaalsContact O-N 3.14Å; L610-T613 PolarHBondContact O-OG1 2.92Å; V611-T613 VanDerWaalsContact C-N 3.29Å; V611-T613 PolarHBondContact O-N 3.38Å; T613-S616 WeakPolarHBondContact O-CB 3.01Å; T613-S616 PolarHBondContact O-N 2.99Å; T613-Q617 WeakPolarHBondContact O-CG 3.37Å; T613-Q617 PolarHBondContact O-N 3.12Å; T613-Q617 VanDerWaalsContact O-N 3.1Å
614	I	90.3	Very high	88.5	Confident	80 Å²	80	47.1 Å²	47.1	41%	0.41	25%	0.251	S	S	.	.	H	α-helix	trans	-67.8	-43.7	176.9	-65	167.6	0	0	0	110.1	I501 L610 V611 S616 Q617 L618	I501-I614 HydrophobicContact CD1-CG1 4.33Å; L610-I614 WeakPolarHBondContact O-CG1 3.21Å; L610-I614 PolarHBondContact O-N 3.48Å; L610-I614 VanDerWaalsContact O-N 3.11Å; V611-I614 PolarHBondContact O-N 3.4Å; V611-I614 VanDerWaalsContact O-N 3.17Å; I614-S616 VanDerWaalsContact C-N 3.29Å; I614-S616 PolarHBondContact O-N 3.29Å; I614-Q617 WeakPolarHBondContact O-CB 3.28Å; I614-Q617 PolarHBondContact O-N 3.41Å; I614-Q617 VanDerWaalsContact O-N 3.12Å; I614-L618 PolarHBondContact O-N 3.45Å
615	I	89.9	Confident	88.7	Confident	77 Å²	77	42.7 Å²	42.7	40%	0.395	23%	0.228	S	C	.	.	H	α-helix	trans	-59.3	-43.4	174.7	-67.5	169.8	0	0	0	110.2	V611 L612 Q617 L618 I619	V611-I615 HydrophobicContact CG1-CD1 3.93Å; V611-I615 HydrophobicContact CG1-CG1 4.49Å; V611-I615 WeakPolarHBondContact O-CG1 3.28Å; V611-I615 PolarHBondContact O-N 2.89Å; L612-I615 PolarHBondContact O-N 3.37Å; I615-Q617 VanDerWaalsContact C-N 3.29Å; I615-Q617 PolarHBondContact O-N 3.38Å; I615-L618 PolarHBondContact O-N 3.14Å; I615-I619 HydrophobicContact CG2-CD1 3.68Å; I615-I619 HydrophobicContact CG2-CG1 4.34Å; I615-I619 WeakPolarHBondContact O-CG1 3.39Å; I615-I619 PolarHBondContact O-N 2.78Å; I615-I619 VanDerWaalsContact O-N 3.08Å
616	S	87.4	Confident	88.6	Confident	15 Å²	15	41 Å²	41	11%	0.105	22%	0.219	C	C	.	.	H	α-helix	trans	-57.5	-39.1	175.4	178	0	0	0	0	112.5	L612 T613 I614 L618 I619 E620	L612-S616 WeakPolarHBondContact O-CB 3.48Å; L612-S616 PolarHBondContact O-N 3.39Å; T613-S616 WeakPolarHBondContact O-CB 3.01Å; T613-S616 PolarHBondContact O-N 2.99Å; I614-S616 VanDerWaalsContact C-N 3.29Å; I614-S616 PolarHBondContact O-N 3.29Å; S616-L618 VanDerWaalsContact C-N 3.33Å; S616-L618 PolarHBondContact O-N 2.92Å; S616-I619 PolarHBondContact O-N 3.36Å; S616-E620 PolarHBondContact O-N 3.41Å
617	Q	88.1	Confident	88.8	Confident	14 Å²	14	42.1 Å²	42.1	7%	0.065	22%	0.224	C	C	.	.	H	α-helix	trans	-63	-35.7	174.4	-66.9	179.2	-3.2	0	0	113.1	M490 N498 T613 I614 I615 E620	M490-Q617 HydrophobicContact CE-CB 4.26Å; M490-Q617 WeakPolarHBondContact CE-O 3.37Å; N498-Q617 PolarHBondContact OD1-NE2 3.15Å; N498-Q617 PolarHBondContact OD1-OE1 3.07Å; T613-Q617 WeakPolarHBondContact O-CG 3.37Å; T613-Q617 PolarHBondContact O-N 3.12Å; T613-Q617 VanDerWaalsContact O-N 3.1Å; I614-Q617 WeakPolarHBondContact O-CB 3.28Å; I614-Q617 PolarHBondContact O-N 3.41Å; I614-Q617 VanDerWaalsContact O-N 3.12Å; I615-Q617 VanDerWaalsContact C-N 3.29Å; I615-Q617 PolarHBondContact O-N 3.38Å; Q617-E620 WeakPolarHBondContact O-CB 3.49Å
618	L	86.7	Confident	88.9	Confident	89 Å²	89	38.8 Å²	38.8	47%	0.466	20%	0.203	S	C	.	.	H	α-helix	trans	-72.4	-35.3	177.8	-63.2	177.6	0	0	0	111.7	W482 M490 I614 I615 S616 Y622	W482-L618 HydrophobicContact CH2-CD2 3.99Å; W482-L618 HydrophobicContact CZ2-CD2 4.41Å; M490-L618 HydrophobicContact CE-CD2 4.49Å; I614-L618 PolarHBondContact O-N 3.45Å; I615-L618 PolarHBondContact O-N 3.14Å; S616-L618 VanDerWaalsContact C-N 3.33Å; S616-L618 PolarHBondContact O-N 2.92Å; L618-Y622 WeakPolarHBondContact O-CE2 3.44Å
619	I	86.8	Confident	88.7	Confident	77 Å²	77	37.3 Å²	37.3	40%	0.395	19%	0.191	S	C	.	.	H	α-helix	trans	-78.5	-26.4	-179.1	-58.2	173.4	0	0	0	111.6	I615 S616 V621 Y622 I623	I615-I619 HydrophobicContact CG2-CD1 3.68Å; I615-I619 HydrophobicContact CG2-CG1 4.34Å; I615-I619 WeakPolarHBondContact O-CG1 3.39Å; I615-I619 PolarHBondContact O-N 2.78Å; I615-I619 VanDerWaalsContact O-N 3.08Å; S616-I619 PolarHBondContact O-N 3.36Å; I619-V621 VanDerWaalsContact C-N 3.3Å; I619-V621 PolarHBondContact O-N 2.88Å; I619-V621 VanDerWaalsContact O-N 3.16Å; I619-Y622 PolarHBondContact O-N 3.23Å; I619-I623 HydrophobicContact CB-CD1 4.37Å; I619-I623 HydrophobicContact CG2-CD1 3.46Å; I619-I623 VanDerWaalsContact CG2-CD1 3.46Å; I619-I623 HydrophobicContact CG2-CG1 3.83Å; I619-I623 PolarHBondContact O-N 2.85Å; I619-I623 VanDerWaalsContact O-N 3.08Å
620	E	88.7	Confident	88.6	Confident	9 Å²	9	37.9 Å²	37.9	4%	0.042	19%	0.194	C	C	.	.	H	α-helix	trans	-43.2	-50	178.5	162.8	160.1	-152.7	0	0	113.2	T170 Y171 R174 N494 S616 Q617 Y622 I623 M624	T170-E620 HydrophobicContact CG2-CB 3.61Å; T170-E620 VanDerWaalsContact CG2-CD 3.44Å; T170-E620 HydrophobicContact CG2-CG 3.29Å; T170-E620 WeakPolarHBondContact CG2-OE1 3.44Å; Y171-E620 PolarHBondContact OH-OE1 3.32Å; R174-E620 IonicContact CZ-OE2 2.67Å; R174-E620 IonicContact NH1-OE2 2.61Å; R174-E620 PolarHBondContact NH1-OE2 3.38Å; R174-E620 IonicContact NH2-OE1 3.21Å; R174-E620 IonicContact NH2-OE2 2.76Å; N494-E620 PolarHBondContact ND2-OE2 3.08Å; N494-E620 PolarHBondContact OD1-OE2 3.47Å; N494-E620 VanDerWaalsContact OD1-OE2 3.07Å; S616-E620 PolarHBondContact O-N 3.41Å; Q617-E620 WeakPolarHBondContact O-CB 3.49Å; E620-Y622 VanDerWaalsContact C-N 3.27Å; E620-Y622 PolarHBondContact O-N 2.96Å; E620-I623 PolarHBondContact O-N 3.45Å; E620-M624 HydrophobicContact CG-CG 4.18Å; E620-M624 VanDerWaalsContact O-CB 3.23Å; E620-M624 WeakPolarHBondContact O-CB 3.41Å; E620-M624 WeakPolarHBondContact O-CG 3.38Å; E620-M624 PolarHBondContact O-N 2.98Å
621	V	87.8	Confident	88.5	Confident	9 Å²	9	37.2 Å²	37.2	6%	0.055	19%	0.191	C	C	.	.	H	α-helix	trans	-59.8	-41.4	-175.8	-178.3	0	0	0	0	111	W482 E486 M490 I619 R625	W482-V621 HydrophobicContact CD2-CG2 4.41Å; W482-V621 HydrophobicContact CG-CG1 4.26Å; W482-V621 HydrophobicContact CZ2-CG2 4.41Å; E486-V621 HydrophobicContact CB-CG1 4.05Å; E486-V621 HydrophobicContact CG-CG1 4.13Å; M490-V621 HydrophobicContact CB-CG2 4.44Å; M490-V621 HydrophobicContact CG-CG2 4.39Å; M490-V621 HydrophobicContact SD-CG2 3.67Å; I619-V621 VanDerWaalsContact C-N 3.3Å; I619-V621 PolarHBondContact O-N 2.88Å; I619-V621 VanDerWaalsContact O-N 3.16Å; V621-R625 WeakPolarHBondContact O-CG 3.39Å; V621-R625 PolarHBondContact O-N 3.1Å
622	Y	86.7	Confident	88.3	Confident	61 Å²	61	34.6 Å²	34.6	24%	0.239	17%	0.174	C	C	.	.	H	α-helix	trans	-73.1	-43.1	-178.9	-53.5	-70.9	0	0	0	112.1	F480 W482 L618 I619 E620 M624 R625	F480-Y622 AromaticContact CD2-CE1 3.99Å; F480-Y622 HydrophobicContact CD2-CE1 3.99Å; F480-Y622 AromaticContact CD2-CZ 3.82Å; F480-Y622 WeakPolarHBondContact CD2-OH 3.36Å; F480-Y622 HydrophobicContact CE2-CE1 4.36Å; F480-Y622 HydrophobicContact CE2-CE2 4.33Å; F480-Y622 AromaticContact CE2-CZ 3.75Å; F480-Y622 VanDerWaalsContact CE2-OH 3.28Å; F480-Y622 WeakPolarHBondContact CE2-OH 3.41Å; F480-Y622 WeakPolarHBondContact O-CE1 3.09Å; F480-Y622 PolarHBondContact O-OH 3.3Å; W482-Y622 AromaticContact NE1-CE1 3.9Å; W482-Y622 AromaticContact NE1-CE2 3.9Å; W482-Y622 AromaticContact NE1-CZ 3.36Å; W482-Y622 PolarHBondContact NE1-OH 3.44Å; L618-Y622 WeakPolarHBondContact O-CE2 3.44Å; I619-Y622 PolarHBondContact O-N 3.23Å; E620-Y622 VanDerWaalsContact C-N 3.27Å; E620-Y622 PolarHBondContact O-N 2.96Å; Y622-M624 VanDerWaalsContact C-N 3.25Å; Y622-M624 PolarHBondContact O-N 3.45Å; Y622-R625 WeakPolarHBondContact O-CB 3.37Å; Y622-R625 PolarHBondContact O-N 3.21Å
623	I	86.8	Confident	88	Confident	21 Å²	21	39.3 Å²	39.3	11%	0.108	19%	0.186	C	C	.	.	H	α-helix	trans	-62.1	-39.2	175.8	-68.3	164.3	0	0	0	109.9	P166 I169 T170 I619 E620 R625 L626	P166-I623 HydrophobicContact CB-CG2 3.73Å; P166-I623 WeakPolarHBondContact O-CG2 3.22Å; I169-I623 HydrophobicContact CB-CD1 4.19Å; I169-I623 HydrophobicContact CB-CG2 4.48Å; I169-I623 HydrophobicContact CG2-CD1 3.46Å; I169-I623 VanDerWaalsContact CG2-CD1 3.46Å; T170-I623 VanDerWaalsContact OG1-CG2 3.28Å; T170-I623 WeakPolarHBondContact OG1-CG2 3.32Å; I619-I623 HydrophobicContact CB-CD1 4.37Å; I619-I623 HydrophobicContact CG2-CD1 3.46Å; I619-I623 VanDerWaalsContact CG2-CD1 3.46Å; I619-I623 HydrophobicContact CG2-CG1 3.83Å; I619-I623 PolarHBondContact O-N 2.85Å; I619-I623 VanDerWaalsContact O-N 3.08Å; E620-I623 PolarHBondContact O-N 3.45Å; I623-R625 PolarHBondContact O-N 3.47Å; I623-L626 HydrophobicContact CG2-CD1 4.44Å; I623-L626 WeakPolarHBondContact O-CB 3.1Å; I623-L626 PolarHBondContact O-N 2.93Å
624	M	88.9	Confident	87.8	Confident	19 Å²	19	41.4 Å²	41.4	9%	0.094	19%	0.194	C	C	.	.	H	α-helix	trans	-69.5	-18.3	-178.9	-71.5	-66.5	-89.3	0	0	113.6	Y167 T170 Y171 E620 Y622 R627	Y167-M624 HydrophobicContact CD1-CE 4.25Å; Y167-M624 HydrophobicContact CD1-SD 4.34Å; Y167-M624 HydrophobicContact CE1-CE 3.85Å; Y167-M624 HydrophobicContact CE1-SD 4.37Å; T170-M624 HydrophobicContact CG2-CG 4.12Å; T170-M624 HydrophobicContact CG2-SD 4.39Å; Y171-M624 HydrophobicContact CE2-CE 3.64Å; Y171-M624 HydrophobicContact CE2-SD 4.07Å; E620-M624 HydrophobicContact CG-CG 4.18Å; E620-M624 VanDerWaalsContact O-CB 3.23Å; E620-M624 WeakPolarHBondContact O-CB 3.41Å; E620-M624 WeakPolarHBondContact O-CG 3.38Å; E620-M624 PolarHBondContact O-N 2.98Å; Y622-M624 VanDerWaalsContact C-N 3.25Å; Y622-M624 PolarHBondContact O-N 3.45Å; M624-R627 PolarHBondContact O-NE 3.28Å; M624-R627 PolarHBondContact O-NH2 2.87Å
625	R	90.2	Very high	87.8	Confident	4 Å²	4	39.8 Å²	39.8	2%	0.015	18%	0.183	C	C	.	.	H	α-helix	trans	-73.5	-26.1	168.6	-69	177.1	-178.5	-177.4	6	113	Y443 M476 L477 S479 S481 E486 V621 Y622 I623 R627 H628 I629	Y443-R625 HydrophobicContact CE1-CG 4.08Å; M476-R625 PolarHBondContact O-NH1 3.43Å; L477-R625 HydrophobicContact CD2-CB 4.19Å; L477-R625 HydrophobicContact CD2-CG 4.49Å; L477-R625 WeakPolarHBondContact O-CD 3.32Å; L477-R625 PolarHBondContact O-NH1 3.36Å; S479-R625 PolarHBondContact O-NH1 3.38Å; S479-R625 PolarHBondContact OG-NH1 3.09Å; S481-R625 PolarHBondContact O-NH2 3.39Å; E486-R625 IonicContact OE1-CZ 3.78Å; E486-R625 VanDerWaalsContact OE1-CZ 3.29Å; E486-R625 IonicContact OE1-NE 3.51Å; E486-R625 PolarHBondContact OE1-NE 3Å; E486-R625 IonicContact OE1-NH2 3.84Å; E486-R625 PolarHBondContact OE1-NH2 2.9Å; E486-R625 VanDerWaalsContact OE1-NH2 3.13Å; E486-R625 IonicContact OE2-CZ 3.62Å; E486-R625 IonicContact OE2-NE 3.66Å; E486-R625 IonicContact OE2-NH2 2.8Å; E486-R625 PolarHBondContact OE2-NH2 3.18Å; V621-R625 WeakPolarHBondContact O-CG 3.39Å; V621-R625 PolarHBondContact O-N 3.1Å; Y622-R625 WeakPolarHBondContact O-CB 3.37Å; Y622-R625 PolarHBondContact O-N 3.21Å; I623-R625 PolarHBondContact O-N 3.47Å; R625-R627 PolarHBondContact O-N 2.88Å; R625-R627 VanDerWaalsContact O-N 3.15Å; R625-H628 PolarHBondContact O-N 3.21Å; R625-I629 PolarHBondContact O-N 3.42Å
626	L	85.7	Confident	87.8	Confident	34 Å²	34	39.3 Å²	39.3	18%	0.178	19%	0.185	C	C	.	.	H	α-helix	trans	-56.6	-32.1	176.4	-70.5	171.9	0	0	0	112.2	L71 P166 I623 H628 I629 I630	L71-L626 HydrophobicContact CD2-CD2 3.61Å; P166-L626 HydrophobicContact CG-CB 4.08Å; I623-L626 HydrophobicContact CG2-CD1 4.44Å; I623-L626 WeakPolarHBondContact O-CB 3.1Å; I623-L626 PolarHBondContact O-N 2.93Å; L626-H628 VanDerWaalsContact C-N 3.28Å; L626-H628 PolarHBondContact O-N 3.19Å; L626-I629 HydrophobicContact CD2-CD1 3.94Å; L626-I629 WeakPolarHBondContact O-CA 3.38Å; L626-I629 WeakPolarHBondContact O-CB 3.37Å; L626-I629 PolarHBondContact O-N 3.18Å; L626-I630 VanDerWaalsContact O-CG1 3.32Å; L626-I630 WeakPolarHBondContact O-CG1 3.45Å; L626-I630 PolarHBondContact O-N 3.2Å
627	R	90.6	Very high	87.9	Confident	25 Å²	25	47 Å²	47	9%	0.094	22%	0.217	C	C	.	.	H	α-helix	trans	-55.3	-42.8	174.9	-68.7	-176.9	-55.9	164.2	5.3	113	M163 P166 Y167 F429 M624 R625 I630 M631	M163-R627 HydrophobicContact CE-CB 3.56Å; M163-R627 HydrophobicContact CE-CG 3.5Å; M163-R627 VanDerWaalsContact CE-CG 3.5Å; M163-R627 VanDerWaalsContact SD-CA 3.55Å; M163-R627 HydrophobicContact SD-CB 3.7Å; M163-R627 HydrophobicContact SD-CG 3.9Å; P166-R627 HydrophobicContact CB-CG 3.88Å; P166-R627 HydrophobicContact CG-CG 4.03Å; Y167-R627 VanDerWaalsContact CZ-NH1 3.29Å; Y167-R627 PolarHBondContact OH-NH1 3.5Å; F429-R627 HydrophobicContact CE1-CB 4.04Å; F429-R627 HydrophobicContact CZ-CB 4.13Å; M624-R627 PolarHBondContact O-NE 3.28Å; M624-R627 PolarHBondContact O-NH2 2.87Å; R625-R627 PolarHBondContact O-N 2.88Å; R625-R627 VanDerWaalsContact O-N 3.15Å; R627-I630 PolarHBondContact O-N 2.9Å; R627-M631 WeakPolarHBondContact O-CG 3.43Å; R627-M631 PolarHBondContact O-N 3.49Å
628	H	90.7	Very high	88	Confident	6 Å²	6	48.1 Å²	48.1	3%	0.028	22%	0.223	C	C	.	.	H	α-helix	trans	-68.6	-38.2	176.9	-73.4	-75.5	0	0	0	111	F429 W433 D440 Y443 L477 R625 L626 I630 M631 I632	F429-H628 AromaticContact CZ-CE1 3.7Å; F429-H628 AromaticContact CZ-NE2 3.83Å; W433-H628 AromaticContact CD1-CE1 3.94Å; W433-H628 AromaticContact CD1-ND1 3.74Å; W433-H628 AromaticContact NE1-CE1 3.98Å; W433-H628 AromaticContact NE1-ND1 3.39Å; W433-H628 PolarHBondContact NE1-ND1 3.46Å; D440-H628 IonicContact OD2-CE1 2.68Å; D440-H628 PolarHBondContact OD2-CE1 2.93Å; D440-H628 IonicContact OD2-NE2 3.7Å; D440-H628 PolarHBondContact OD2-NE2 3.4Å; Y443-H628 AromaticContact CD2-CD2 3.89Å; Y443-H628 AromaticContact CD2-NE2 3.83Å; Y443-H628 AromaticContact CE2-CD2 3.46Å; Y443-H628 VanDerWaalsContact CE2-CD2 3.46Å; Y443-H628 WeakPolarHBondContact CE2-CD2 3.5Å; Y443-H628 AromaticContact CE2-CE1 3.82Å; Y443-H628 AromaticContact CE2-NE2 3.24Å; Y443-H628 WeakPolarHBondContact CE2-NE2 3.37Å; L477-H628 HydrophobicContact CD1-CB 4.46Å; L477-H628 HydrophobicContact CD2-CB 3.77Å; R625-H628 PolarHBondContact O-N 3.21Å; L626-H628 VanDerWaalsContact C-N 3.28Å; L626-H628 PolarHBondContact O-N 3.19Å; H628-I630 VanDerWaalsContact C-N 3.35Å; H628-I630 PolarHBondContact O-N 3.15Å; H628-M631 PolarHBondContact O-N 2.98Å; H628-I632 WeakPolarHBondContact O-CB 3.44Å; H628-I632 WeakPolarHBondContact O-CD1 3.44Å; H628-I632 WeakPolarHBondContact O-CG1 3.41Å; H628-I632 PolarHBondContact O-N 3.32Å
629	I	87.3	Confident	88.1	Confident	50 Å²	50	44 Å²	44	26%	0.256	20%	0.201	S	C	.	.	H	α-helix	trans	-60.8	-45.2	175.2	-56.9	177.7	0	0	0	110.7	Y68 L477 R625 L626 I632 W633	Y68-I629 HydrophobicContact CE2-CD1 4.48Å; L477-I629 HydrophobicContact CD1-CG1 4.12Å; R625-I629 PolarHBondContact O-N 3.42Å; L626-I629 HydrophobicContact CD2-CD1 3.94Å; L626-I629 WeakPolarHBondContact O-CA 3.38Å; L626-I629 WeakPolarHBondContact O-CB 3.37Å; L626-I629 PolarHBondContact O-N 3.18Å; I629-I632 PolarHBondContact O-N 2.04Å; I629-W633 WeakPolarHBondContact O-CB 3.48Å; I629-W633 PolarHBondContact O-N 3.48Å
630	I	85.7	Confident	88.3	Confident	30 Å²	30	43.7 Å²	43.7	15%	0.154	20%	0.2	C	C	.	.	H	α-helix	trans	-60.9	-46.5	176.8	-64.7	162.2	0	0	0	110.4	L162 M163 P166 L626 R627 H628 I632 W633 Y634	L162-I630 HydrophobicContact CB-CD1 4.4Å; L162-I630 HydrophobicContact CB-CG2 4.26Å; M163-I630 HydrophobicContact CG-CG2 4.05Å; M163-I630 HydrophobicContact SD-CB 4.09Å; M163-I630 HydrophobicContact SD-CD1 4.25Å; M163-I630 HydrophobicContact SD-CG2 4.14Å; P166-I630 HydrophobicContact CG-CD1 4.13Å; L626-I630 VanDerWaalsContact O-CG1 3.32Å; L626-I630 WeakPolarHBondContact O-CG1 3.45Å; L626-I630 PolarHBondContact O-N 3.2Å; R627-I630 PolarHBondContact O-N 2.9Å; H628-I630 VanDerWaalsContact C-N 3.35Å; H628-I630 PolarHBondContact O-N 3.15Å; I630-I632 PolarHBondContact O-N 3.33Å; I630-W633 PolarHBondContact O-N 3.45Å; I630-Y634 HydrophobicContact CG2-CD2 3.91Å; I630-Y634 HydrophobicContact CG2-CE2 4.09Å; I630-Y634 WeakPolarHBondContact O-CD2 3.47Å; I630-Y634 PolarHBondContact O-N 2.75Å
631	M	88.4	Confident	88.4	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64.7	-38.5	179	-71.6	-57.7	-64.1	0	0	113	M163 F429 R430 W433 L434 R627 H628 W633 Y634 Y635	M163-M631 HydrophobicContact SD-CG 4.3Å; F429-M631 HydrophobicContact CE1-CG 3.97Å; R430-M631 HydrophobicContact CG-CE 4.12Å; R430-M631 HydrophobicContact CG-SD 4.32Å; W433-M631 HydrophobicContact CB-CE 4.27Å; W433-M631 HydrophobicContact CD2-CB 3.92Å; W433-M631 HydrophobicContact CD2-CE 3.73Å; W433-M631 HydrophobicContact CD2-CG 4.15Å; W433-M631 HydrophobicContact CE3-CB 4.2Å; W433-M631 HydrophobicContact CE3-CE 3.25Å; W433-M631 HydrophobicContact CG-CB 4.48Å; W433-M631 HydrophobicContact CG-CE 4.17Å; W433-M631 HydrophobicContact CG-CG 4.29Å; W433-M631 HydrophobicContact CH2-CB 4.09Å; W433-M631 HydrophobicContact CZ2-CB 3.8Å; W433-M631 HydrophobicContact CZ3-CB 4.28Å; W433-M631 HydrophobicContact CZ3-CE 3.81Å; L434-M631 HydrophobicContact CD2-CE 4.01Å; L434-M631 HydrophobicContact CG-CE 3.98Å; R627-M631 WeakPolarHBondContact O-CG 3.43Å; R627-M631 PolarHBondContact O-N 3.49Å; H628-M631 PolarHBondContact O-N 2.98Å; M631-W633 VanDerWaalsContact C-N 3.31Å; M631-Y634 PolarHBondContact O-N 2.93Å; M631-Y635 HydrophobicContact CE-CD2 3.57Å; M631-Y635 HydrophobicContact CE-CE2 3.82Å; M631-Y635 PolarHBondContact O-N 2.99Å; M631-Y635 HydrophobicContact SD-CD2 4.39Å; M631-Y635 HydrophobicContact SD-CE2 4.46Å
632	I	87.4	Confident	88.5	Confident	20 Å²	20	48.3 Å²	48.3	10%	0.103	22%	0.221	C	C	.	.	H	α-helix	trans	-63.3	-41	175.5	-68.3	163.9	0	0	0	110.4	T445 L477 H628 I629 I630 P636	T445-I632 HydrophobicContact CG2-CD1 3.64Å; L477-I632 HydrophobicContact CD1-CD1 3.63Å; H628-I632 WeakPolarHBondContact O-CB 3.44Å; H628-I632 WeakPolarHBondContact O-CD1 3.44Å; H628-I632 WeakPolarHBondContact O-CG1 3.41Å; H628-I632 PolarHBondContact O-N 3.32Å; I629-I632 PolarHBondContact O-N 2.04Å; I630-I632 PolarHBondContact O-N 3.33Å; I632-P636 WeakPolarHBondContact O-CA 3.48Å
633	W	85.6	Confident	88.7	Confident	186 Å²	186	45.6 Å²	45.6	71%	0.705	21%	0.211	S	C	*	.	H	α-helix	trans	-65.2	-43.6	178.7	-174.6	74.3	0	0	0	112.9	I629 I630 M631	I629-W633 WeakPolarHBondContact O-CB 3.48Å; I629-W633 PolarHBondContact O-N 3.48Å; I630-W633 PolarHBondContact O-N 3.45Å; M631-W633 VanDerWaalsContact C-N 3.31Å
634	Y	84.9	Confident	88.8	Confident	44 Å²	44	47.3 Å²	47.3	17%	0.173	23%	0.225	C	C	.	.	H	α-helix	trans	-76.4	-35	178.6	-86.4	-81.4	0	0	0	113.9	S155 Q158 C159 L162 I630 M631 P636	S155-Y634 WeakPolarHBondContact O-CE1 3.27Å; Q158-Y634 VanDerWaalsContact CB-OH 3.3Å; Q158-Y634 WeakPolarHBondContact CB-OH 3.38Å; C159-Y634 HydrophobicContact CB-CD1 4.03Å; C159-Y634 HydrophobicContact CB-CD2 3.81Å; C159-Y634 HydrophobicContact CB-CE1 4.04Å; C159-Y634 HydrophobicContact CB-CE2 3.82Å; C159-Y634 HydrophobicContact CB-CG 3.92Å; L162-Y634 HydrophobicContact CD1-CE2 3.84Å; L162-Y634 WeakPolarHBondContact CD1-OH 3.32Å; I630-Y634 HydrophobicContact CG2-CD2 3.91Å; I630-Y634 HydrophobicContact CG2-CE2 4.09Å; I630-Y634 WeakPolarHBondContact O-CD2 3.47Å; I630-Y634 PolarHBondContact O-N 2.75Å; M631-Y634 PolarHBondContact O-N 2.93Å; Y634-P636 VanDerWaalsContact C-CD 3.46Å; Y634-P636 WeakPolarHBondContact O-CD 3.34Å
635	Y	89.5	Confident	88.8	Confident	45 Å²	45	49.2 Å²	49.2	18%	0.176	23%	0.231	C	C	.	.			trans	-128.5	63.9	-172.4	-59	-77.2	0	0	0	112.5	N156 R430 L434 M631 K637 I638 S639	N156-Y635 PolarHBondContact OD1-OH 3.26Å; R430-Y635 PolarHBondContact NH2-OH 2.87Å; L434-Y635 HydrophobicContact CD1-CE2 4.28Å; L434-Y635 HydrophobicContact CD2-CD1 4.01Å; L434-Y635 HydrophobicContact CD2-CD2 3.83Å; L434-Y635 HydrophobicContact CD2-CE1 4.26Å; L434-Y635 HydrophobicContact CD2-CE2 4.05Å; L434-Y635 HydrophobicContact CD2-CG 3.8Å; M631-Y635 HydrophobicContact CE-CD2 3.57Å; M631-Y635 HydrophobicContact CE-CE2 3.82Å; M631-Y635 PolarHBondContact O-N 2.99Å; M631-Y635 HydrophobicContact SD-CD2 4.39Å; M631-Y635 HydrophobicContact SD-CE2 4.46Å; Y635-K637 VanDerWaalsContact C-N 3.29Å; Y635-K637 PolarHBondContact O-N 3.21Å; Y635-I638 HydrophobicContact CD1-CD1 4.44Å; Y635-I638 PolarHBondContact O-N 3.02Å; Y635-S639 PolarHBondContact O-N 3.43Å; Y635-S639 VanDerWaalsContact O-N 3.1Å
636	P	89	Confident	88.8	Confident	68 Å²	68	49.1 Å²	49.1	44%	0.442	23%	0.231	S	C	.	.	H	α-helix	trans	-63.9	-32.5	-175.9	25	-34.9	0	0	0	113	I632 Y634 I638 S639 N640	I632-P636 WeakPolarHBondContact O-CA 3.48Å; Y634-P636 VanDerWaalsContact C-CD 3.46Å; Y634-P636 WeakPolarHBondContact O-CD 3.34Å; P636-I638 PolarHBondContact O-N 3.25Å; P636-S639 WeakPolarHBondContact O-CB 3.45Å; P636-S639 PolarHBondContact O-N 3.19Å; P636-N640 PolarHBondContact O-N 3.46Å
637	K	90.1	Very high	88.9	Confident	175 Å²	175	49 Å²	49	76%	0.761	23%	0.228	S	C	*	.	H	α-helix	trans	-61.2	-42.8	177.1	-66.9	-176.5	179.3	-178.9	0	112.2	Y635 N640 Q641	Y635-K637 VanDerWaalsContact C-N 3.29Å; Y635-K637 PolarHBondContact O-N 3.21Å; K637-N640 PolarHBondContact O-N 3.43Å; K637-Q641 PolarHBondContact O-N 3.14Å
638	I	90.1	Very high	88.7	Confident	38 Å²	38	49.7 Å²	49.7	20%	0.195	24%	0.24	C	C	.	.	H	α-helix	trans	-73	-35.9	178	-62.9	172.2	0	0	0	109.8	W433 L434 Y635 P636 N640 Q641 R642	W433-I638 HydrophobicContact CE3-CG2 4.17Å; W433-I638 HydrophobicContact CH2-CB 4.19Å; W433-I638 HydrophobicContact CH2-CG2 3.95Å; W433-I638 HydrophobicContact CZ3-CB 3.87Å; W433-I638 HydrophobicContact CZ3-CG2 3.52Å; L434-I638 HydrophobicContact CD2-CD1 3.32Å; Y635-I638 HydrophobicContact CD1-CD1 4.44Å; Y635-I638 PolarHBondContact O-N 3.02Å; P636-I638 PolarHBondContact O-N 3.25Å; I638-N640 VanDerWaalsContact C-N 3.3Å; I638-N640 PolarHBondContact O-N 3.16Å; I638-Q641 PolarHBondContact O-N 3.44Å; I638-R642 HydrophobicContact CG2-CG 4.35Å; I638-R642 WeakPolarHBondContact O-CG 3.24Å; I638-R642 PolarHBondContact O-N 2.92Å
639	S	89.7	Confident	88.5	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.014	25%	0.246	C	C	.	.	H	α-helix	trans	-55.8	-45.5	171.3	-168.9	0	0	0	0	111.8	E447 Y635 P636 Q641 R642 A643	E447-S639 PolarHBondContact OE2-OG 3.08Å; Y635-S639 PolarHBondContact O-N 3.43Å; Y635-S639 VanDerWaalsContact O-N 3.1Å; P636-S639 WeakPolarHBondContact O-CB 3.45Å; P636-S639 PolarHBondContact O-N 3.19Å; S639-Q641 VanDerWaalsContact C-N 3.34Å; S639-Q641 PolarHBondContact O-N 3.11Å; S639-R642 WeakPolarHBondContact O-CB 3.47Å; S639-R642 PolarHBondContact O-N 3.44Å; S639-R642 VanDerWaalsContact O-N 3.16Å; S639-A643 WeakPolarHBondContact O-CB 3.43Å; S639-A643 PolarHBondContact O-N 3.42Å
640	N	90.5	Very high	88.5	Confident	71 Å²	71	49.1 Å²	49.1	38%	0.38	23%	0.234	S	C	.	.	H	α-helix	trans	-59.4	-41.4	177.2	-76	-25.4	0	0	0	113	E447 Q451 P636 K637 I638 A643 S644	E447-N640 VanDerWaalsContact CB-OD1 3.25Å; E447-N640 WeakPolarHBondContact CB-OD1 3.45Å; E447-N640 WeakPolarHBondContact CG-OD1 3.45Å; Q451-N640 PolarHBondContact NE2-O 3.46Å; P636-N640 PolarHBondContact O-N 3.46Å; K637-N640 PolarHBondContact O-N 3.43Å; I638-N640 VanDerWaalsContact C-N 3.3Å; I638-N640 PolarHBondContact O-N 3.16Å; N640-A643 PolarHBondContact O-N 3.47Å; N640-S644 PolarHBondContact O-N 2.99Å; N640-S644 PolarHBondContact O-OG 3.08Å
641	Q	90.1	Very high	88.4	Confident	106 Å²	106	50.7 Å²	50.7	50%	0.495	24%	0.241	S	C	.	.	H	α-helix	trans	-68.1	-37	176.1	-68.7	175.2	-15.8	0	0	112.3	K637 I638 S639 A643 S644 W645	K637-Q641 PolarHBondContact O-N 3.14Å; I638-Q641 PolarHBondContact O-N 3.44Å; S639-Q641 VanDerWaalsContact C-N 3.34Å; S639-Q641 PolarHBondContact O-N 3.11Å; Q641-A643 VanDerWaalsContact C-N 3.34Å; Q641-S644 WeakPolarHBondContact CA-OG 3.25Å; Q641-S644 PolarHBondContact O-N 3.21Å; Q641-S644 PolarHBondContact O-OG 2.95Å; Q641-W645 WeakPolarHBondContact O-CB 3.5Å; Q641-W645 PolarHBondContact O-N 2.72Å
642	R	91.4	Very high	88.1	Confident	9 Å²	9	51.7 Å²	51.7	3%	0.034	25%	0.246	C	C	.	.	H	α-helix	trans	-66.8	-38.2	174.4	-71.4	173.4	66.4	118.7	5.4	111.5	W433 I437 F439 N441 I638 S639 L646	W433-R642 VanDerWaalsContact NE1-CZ 3.29Å; W433-R642 PolarHBondContact O-NH1 3.36Å; W433-R642 VanDerWaalsContact O-NH1 3.09Å; I437-R642 HydrophobicContact CG2-CG 4Å; F439-R642 PolarHBondContact O-NH1 3.45Å; F439-R642 PolarHBondContact O-NH2 3.47Å; N441-R642 PolarHBondContact ND2-O 3.33Å; I638-R642 HydrophobicContact CG2-CG 4.35Å; I638-R642 WeakPolarHBondContact O-CG 3.24Å; I638-R642 PolarHBondContact O-N 2.92Å; S639-R642 WeakPolarHBondContact O-CB 3.47Å; S639-R642 PolarHBondContact O-N 3.44Å; S639-R642 VanDerWaalsContact O-N 3.16Å; R642-L646 WeakPolarHBondContact O-CB 3.23Å; R642-L646 PolarHBondContact O-N 3.48Å
643	A	90	Very high	87.8	Confident	4 Å²	4	51.9 Å²	51.9	3%	0.033	25%	0.247	C	C	.	.	H	α-helix	trans	-65.3	-43.2	175.2	0	0	0	0	0	112.1	E447 Y448 S639 N640 Q641 L646 R647	E447-A643 HydrophobicContact CB-CB 4.32Å; Y448-A643 HydrophobicContact CD2-CB 4.45Å; S639-A643 WeakPolarHBondContact O-CB 3.43Å; S639-A643 PolarHBondContact O-N 3.42Å; N640-A643 PolarHBondContact O-N 3.47Å; Q641-A643 VanDerWaalsContact C-N 3.34Å; A643-L646 PolarHBondContact O-N 3.07Å; A643-R647 PolarHBondContact O-N 3.4Å
644	S	88	Confident	87.7	Confident	57 Å²	57	45.8 Å²	45.8	40%	0.399	22%	0.224	S	C	.	.	H	α-helix	trans	-66.1	-42.7	176.8	62.4	0	0	0	0	111.9	N640 Q641 L646 R647 A648	N640-S644 PolarHBondContact O-N 2.99Å; N640-S644 PolarHBondContact O-OG 3.08Å; Q641-S644 WeakPolarHBondContact CA-OG 3.25Å; Q641-S644 PolarHBondContact O-N 3.21Å; Q641-S644 PolarHBondContact O-OG 2.95Å; S644-L646 VanDerWaalsContact C-N 3.32Å; S644-L646 PolarHBondContact O-N 3.24Å; S644-R647 PolarHBondContact O-N 3.22Å; S644-A648 PolarHBondContact O-N 3.03Å; S644-A648 VanDerWaalsContact O-N 3.07Å
645	W	90	Very high	87.4	Confident	60 Å²	60	48.4 Å²	48.4	23%	0.227	24%	0.236	C	C	.	.	H	α-helix	trans	-58.2	-44	172.8	178.4	92	0	0	0	111.9	I437 T438 N441 Q641 R647 A648 R649	I437-W645 HydrophobicContact CG2-CB 3.59Å; I437-W645 HydrophobicContact CG2-CD2 4.2Å; I437-W645 HydrophobicContact CG2-CG 3.65Å; T438-W645 HydrophobicContact CG2-CH2 4.38Å; T438-W645 HydrophobicContact CG2-CZ2 3.62Å; N441-W645 HydrophobicContact CB-CE3 4.24Å; N441-W645 HydrophobicContact CB-CZ3 3.94Å; Q641-W645 WeakPolarHBondContact O-CB 3.5Å; Q641-W645 PolarHBondContact O-N 2.72Å; W645-R647 VanDerWaalsContact C-N 3.34Å; W645-R647 PolarHBondContact O-N 3.18Å; W645-A648 PolarHBondContact O-N 3.2Å; W645-R649 HydrophobicContact CE3-CB 4.36Å; W645-R649 HydrophobicContact CH2-CB 4.29Å; W645-R649 HydrophobicContact CH2-CG 4.06Å; W645-R649 HydrophobicContact CZ2-CB 4.45Å; W645-R649 HydrophobicContact CZ2-CG 4.43Å; W645-R649 HydrophobicContact CZ3-CB 4.24Å; W645-R649 HydrophobicContact CZ3-CG 4.31Å; W645-R649 WeakPolarHBondContact O-CB 3.43Å; W645-R649 PolarHBondContact O-N 3.37Å
646	L	90.7	Very high	86.6	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-64.4	-39.4	-178.6	-179.9	61.3	0	0	0	111.6	N441 Y443 Y448 Y474 R642 A643 S644 R649 I650	N441-L646 WeakPolarHBondContact O-CD1 3.45Å; Y443-L646 WeakPolarHBondContact O-CD2 3.41Å; Y448-L646 HydrophobicContact CD2-CB 4.39Å; Y448-L646 HydrophobicContact CD2-CD2 4.14Å; Y448-L646 HydrophobicContact CD2-CG 4.37Å; Y448-L646 HydrophobicContact CE2-CB 4.33Å; Y448-L646 HydrophobicContact CE2-CD2 4.18Å; Y448-L646 HydrophobicContact CE2-CG 4.07Å; Y474-L646 HydrophobicContact CD1-CD1 3.91Å; Y474-L646 HydrophobicContact CE1-CD1 3.63Å; R642-L646 WeakPolarHBondContact O-CB 3.23Å; R642-L646 PolarHBondContact O-N 3.48Å; A643-L646 PolarHBondContact O-N 3.07Å; S644-L646 VanDerWaalsContact C-N 3.32Å; S644-L646 PolarHBondContact O-N 3.24Å; L646-R649 PolarHBondContact O-N 3.06Å; L646-I650 HydrophobicContact CD1-CD1 4.17Å; L646-I650 HydrophobicContact CD1-CG1 4.46Å; L646-I650 HydrophobicContact CG-CD1 4.14Å; L646-I650 WeakPolarHBondContact O-CG1 3.27Å; L646-I650 PolarHBondContact O-N 3.35Å
647	R	88	Confident	85.9	Confident	31 Å²	31	50.5 Å²	50.5	12%	0.117	24%	0.241	C	C	.	.	H	α-helix	trans	-61.2	-53.1	174	-178.8	-176.7	-59.9	115.3	38.9	111	Y448 E452 T463 A643 S644 W645 R649 I650 Q651	Y448-R647 HydrophobicContact CE2-CB 3.97Å; E452-R647 WeakPolarHBondContact OE1-CD 2.96Å; E452-R647 WeakPolarHBondContact OE1-CG 3.43Å; E452-R647 IonicContact OE1-CZ 3.41Å; E452-R647 IonicContact OE1-NE 2.84Å; E452-R647 PolarHBondContact OE1-NE 3.36Å; T463-R647 HydrophobicContact CG2-CG 3.84Å; A643-R647 PolarHBondContact O-N 3.4Å; S644-R647 PolarHBondContact O-N 3.22Å; W645-R647 VanDerWaalsContact C-N 3.34Å; W645-R647 PolarHBondContact O-N 3.18Å; R647-R649 PolarHBondContact O-N 3.45Å; R647-I650 PolarHBondContact O-N 3.47Å; R647-I650 VanDerWaalsContact O-N 3.16Å; R647-Q651 HydrophobicContact CG-CG 4.46Å; R647-Q651 WeakPolarHBondContact O-CG 3.38Å; R647-Q651 PolarHBondContact O-N 3.26Å
648	A	85.7	Confident	85.1	Confident	41 Å²	41	46.1 Å²	46.1	34%	0.339	23%	0.225	S	C	.	.	H	α-helix	trans	-57.4	-40.9	-180	0	0	0	0	0	110.9	S644 W645 Q651 N652	S644-A648 PolarHBondContact O-N 3.03Å; S644-A648 VanDerWaalsContact O-N 3.07Å; W645-A648 PolarHBondContact O-N 3.2Å; A648-Q651 PolarHBondContact O-N 2.93Å; A648-N652 WeakPolarHBondContact O-CB 3.48Å; A648-N652 PolarHBondContact O-N 3.35Å; A648-N652 PolarHBondContact O-ND2 3.33Å; A648-N652 PolarHBondContact O-OD1 2.83Å
649	R	86.2	Confident	84.1	Confident	43 Å²	43	45.8 Å²	45.8	16%	0.162	22%	0.224	C	C	.	.	H	α-helix	trans	-58.8	-51.6	175.2	176.8	58.4	178.4	-133.9	-1.4	112.2	W645 L646 R647 Q651 N652 D653 C738 R739	W645-R649 HydrophobicContact CE3-CB 4.36Å; W645-R649 HydrophobicContact CH2-CB 4.29Å; W645-R649 HydrophobicContact CH2-CG 4.06Å; W645-R649 HydrophobicContact CZ2-CB 4.45Å; W645-R649 HydrophobicContact CZ2-CG 4.43Å; W645-R649 HydrophobicContact CZ3-CB 4.24Å; W645-R649 HydrophobicContact CZ3-CG 4.31Å; W645-R649 WeakPolarHBondContact O-CB 3.43Å; W645-R649 PolarHBondContact O-N 3.37Å; L646-R649 PolarHBondContact O-N 3.06Å; R647-R649 PolarHBondContact O-N 3.45Å; R649-Q651 VanDerWaalsContact C-N 3.33Å; R649-Q651 PolarHBondContact O-N 3.12Å; R649-N652 PolarHBondContact O-N 2.99Å; R649-D653 WeakPolarHBondContact CD-OD1 3.49Å; R649-D653 IonicContact CZ-OD1 2.73Å; R649-D653 IonicContact NE-OD1 3.56Å; R649-D653 PolarHBondContact NE-OD1 2.98Å; R649-D653 IonicContact NE-OD2 2.68Å; R649-D653 PolarHBondContact NE-OD2 3.2Å; R649-D653 WeakPolarHBondContact O-CB 3.46Å; R649-D653 PolarHBondContact O-N 3.25Å; R649-C738 PolarHBondContact NH1-O 3Å; R649-R739 VanDerWaalsContact NH1-CB 3.31Å; R649-R739 VanDerWaalsContact NH2-CG 3.32Å
650	I	86.7	Confident	83.1	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-63	-41.2	-179.3	-68.1	165.5	0	0	0	111.1	Y448 T463 Y474 L646 R647 D653 R654	Y448-I650 WeakPolarHBondContact OH-CD1 3.48Å; T463-I650 HydrophobicContact CG2-CB 4.13Å; T463-I650 HydrophobicContact CG2-CG2 3.9Å; Y474-I650 HydrophobicContact CD2-CD1 4.1Å; Y474-I650 HydrophobicContact CD2-CG1 4.25Å; Y474-I650 HydrophobicContact CE1-CG1 4.47Å; Y474-I650 HydrophobicContact CE2-CD1 4.15Å; Y474-I650 HydrophobicContact CE2-CG1 3.79Å; Y474-I650 HydrophobicContact CG-CD1 4.3Å; L646-I650 HydrophobicContact CD1-CD1 4.17Å; L646-I650 HydrophobicContact CD1-CG1 4.46Å; L646-I650 HydrophobicContact CG-CD1 4.14Å; L646-I650 WeakPolarHBondContact O-CG1 3.27Å; L646-I650 PolarHBondContact O-N 3.35Å; R647-I650 PolarHBondContact O-N 3.47Å; R647-I650 VanDerWaalsContact O-N 3.16Å; I650-D653 PolarHBondContact O-N 3.45Å; I650-R654 WeakPolarHBondContact O-CG 3.38Å; I650-R654 PolarHBondContact O-N 3.27Å; I650-R654 VanDerWaalsContact O-N 3.07Å
651	Q	84.7	Confident	81.9	Confident	63 Å²	63	53.9 Å²	53.9	29%	0.294	26%	0.256	S	S	.	.	H	α-helix	trans	-63.6	-45.5	177.3	-72.3	175.9	-24.3	0	0	111.8	P461 T463 R647 A648 R649 D653 R654 K655	P461-Q651 PolarHBondContact O-NE2 3.24Å; T463-Q651 HydrophobicContact CG2-CG 3.81Å; R647-Q651 HydrophobicContact CG-CG 4.46Å; R647-Q651 WeakPolarHBondContact O-CG 3.38Å; R647-Q651 PolarHBondContact O-N 3.26Å; A648-Q651 PolarHBondContact O-N 2.93Å; R649-Q651 VanDerWaalsContact C-N 3.33Å; R649-Q651 PolarHBondContact O-N 3.12Å; Q651-D653 VanDerWaalsContact C-N 3.31Å; Q651-D653 PolarHBondContact O-N 3.42Å; Q651-R654 PolarHBondContact O-N 3.47Å; Q651-K655 PolarHBondContact O-N 3.47Å
652	N	81.6	Confident	80.4	Confident	21 Å²	21	55.6 Å²	55.6	11%	0.112	26%	0.263	C	S	.	.	H	α-helix	trans	-61.5	-40.8	176.4	-68.8	-13.4	0	0	0	111.6	A648 R649 R654 K655 L656 I734 R739	A648-N652 WeakPolarHBondContact O-CB 3.48Å; A648-N652 PolarHBondContact O-N 3.35Å; A648-N652 PolarHBondContact O-ND2 3.33Å; A648-N652 PolarHBondContact O-OD1 2.83Å; R649-N652 PolarHBondContact O-N 2.99Å; N652-R654 VanDerWaalsContact C-N 3.31Å; N652-R654 PolarHBondContact O-N 3.44Å; N652-K655 PolarHBondContact O-N 3.4Å; N652-L656 VanDerWaalsContact O-CB 3.29Å; N652-L656 WeakPolarHBondContact O-CB 3.27Å; N652-L656 PolarHBondContact O-N 3.02Å; N652-I734 HydrophobicContact CB-CD1 4.03Å; N652-I734 HydrophobicContact CB-CG2 4.32Å; N652-R739 PolarHBondContact ND2-O 3.37Å
653	D	81.6	Confident	78.9	Confident	23 Å²	23	57.5 Å²	57.5	12%	0.123	28%	0.276	C	S	.	.	H	α-helix	trans	-63.9	-38.7	179.3	-68.6	6.1	0	0	0	111.5	R649 I650 Q651 F657 R739	R649-D653 WeakPolarHBondContact CD-OD1 3.49Å; R649-D653 IonicContact CZ-OD1 2.73Å; R649-D653 IonicContact NE-OD1 3.56Å; R649-D653 PolarHBondContact NE-OD1 2.98Å; R649-D653 IonicContact NE-OD2 2.68Å; R649-D653 PolarHBondContact NE-OD2 3.2Å; R649-D653 WeakPolarHBondContact O-CB 3.46Å; R649-D653 PolarHBondContact O-N 3.25Å; I650-D653 PolarHBondContact O-N 3.45Å; Q651-D653 VanDerWaalsContact C-N 3.31Å; Q651-D653 PolarHBondContact O-N 3.42Å; D653-F657 WeakPolarHBondContact O-CB 3.04Å; D653-F657 PolarHBondContact O-N 3.39Å; D653-R739 WeakPolarHBondContact OD1-CB 3.42Å; D653-R739 WeakPolarHBondContact OD1-CD 3.41Å; D653-R739 IonicContact OD1-NE 3.67Å; D653-R739 IonicContact OD1-NH1 2.85Å; D653-R739 WeakPolarHBondContact OD2-CD 3.3Å; D653-R739 IonicContact OD2-CZ 3.6Å; D653-R739 IonicContact OD2-NE 3.54Å; D653-R739 IonicContact OD2-NH1 3.49Å; D653-R739 PolarHBondContact OD2-NH1 2.96Å
654	R	83.1	Confident	77.2	Confident	59 Å²	59	59.1 Å²	59.1	22%	0.223	29%	0.288	C	S	.	.	H	α-helix	trans	-69.7	-43.1	174.7	-72.3	176.6	176	-172	-2.3	112.5	T463 P465 E470 I650 Q651 N652 F657 N658	T463-R654 PolarHBondContact O-NH1 3.15Å; T463-R654 PolarHBondContact O-NH2 3.34Å; P465-R654 PolarHBondContact O-NH2 3.12Å; E470-R654 WeakPolarHBondContact OE1-CG 3.05Å; E470-R654 IonicContact OE1-CZ 2.7Å; E470-R654 IonicContact OE1-NE 2.73Å; E470-R654 PolarHBondContact OE1-NE 3.02Å; E470-R654 IonicContact OE1-NH2 3.3Å; E470-R654 IonicContact OE2-CZ 3.29Å; E470-R654 IonicContact OE2-NE 3.43Å; E470-R654 PolarHBondContact OE2-NE 3.26Å; E470-R654 IonicContact OE2-NH2 2.69Å; E470-R654 PolarHBondContact OE2-NH2 3.22Å; I650-R654 WeakPolarHBondContact O-CG 3.38Å; I650-R654 PolarHBondContact O-N 3.27Å; I650-R654 VanDerWaalsContact O-N 3.07Å; Q651-R654 PolarHBondContact O-N 3.47Å; N652-R654 VanDerWaalsContact C-N 3.31Å; N652-R654 PolarHBondContact O-N 3.44Å; R654-F657 PolarHBondContact O-N 3.5Å; R654-N658 VanDerWaalsContact O-CG 3.3Å; R654-N658 PolarHBondContact O-N 2.87Å
655	K	78.1	Confident	75.4	Confident	98 Å²	98	59.2 Å²	59.2	43%	0.426	30%	0.298	S	S	.	.	H	α-helix	trans	-59.2	-51.9	176.4	-177.9	174.3	175.5	-173.1	0	109.9	Q651 N652 F657 N658 D659 I734	Q651-K655 PolarHBondContact O-N 3.47Å; N652-K655 PolarHBondContact O-N 3.4Å; K655-F657 VanDerWaalsContact C-N 3.28Å; K655-F657 PolarHBondContact O-N 3.21Å; K655-N658 PolarHBondContact O-N 3.46Å; K655-D659 WeakPolarHBondContact CG-OD2 3.05Å; K655-D659 WeakPolarHBondContact O-CB 3Å; K655-D659 PolarHBondContact O-N 3.4Å; K655-I734 HydrophobicContact CB-CD1 4.22Å; K655-I734 HydrophobicContact CD-CD1 3.98Å; K655-I734 HydrophobicContact CG-CD1 4.22Å
656	L	73.2	Confident	73.4	Confident	20 Å²	20	63.6 Å²	63.6	11%	0.105	33%	0.325	C	S	.	.	H	α-helix	trans	-55.6	-42.4	176.7	-167.2	72.1	0	0	0	112.5	N652 F660 W697 F731 I734	N652-L656 VanDerWaalsContact O-CB 3.29Å; N652-L656 WeakPolarHBondContact O-CB 3.27Å; N652-L656 PolarHBondContact O-N 3.02Å; L656-F660 WeakPolarHBondContact O-CB 3.44Å; L656-F660 PolarHBondContact O-N 3.27Å; L656-W697 HydrophobicContact CD1-CH2 3.58Å; L656-W697 HydrophobicContact CD1-CZ2 4.01Å; L656-W697 HydrophobicContact CD1-CZ3 4.41Å; L656-W697 HydrophobicContact CD2-CH2 4.14Å; L656-W697 HydrophobicContact CG-CH2 4.07Å; L656-F731 HydrophobicContact CD1-CB 4.14Å; L656-F731 HydrophobicContact CD1-CD1 3.92Å; L656-F731 HydrophobicContact CD1-CG 4.27Å; L656-I734 HydrophobicContact CD1-CB 4.41Å; L656-I734 HydrophobicContact CD1-CG2 4.4Å
657	F	74.7	Confident	71.1	Confident	138 Å²	138	66.5 Å²	66.5	61%	0.605	34%	0.343	S	S	*	.	H	α-helix	trans	-65.5	-41.6	177.1	179.8	-95.5	0	0	0	112.7	D653 R654 K655 F660 K661	D653-F657 WeakPolarHBondContact O-CB 3.04Å; D653-F657 PolarHBondContact O-N 3.39Å; R654-F657 PolarHBondContact O-N 3.5Å; K655-F657 VanDerWaalsContact C-N 3.28Å; K655-F657 PolarHBondContact O-N 3.21Å; F657-F660 PolarHBondContact O-N 2.86Å; F657-K661 WeakPolarHBondContact O-CB 3.28Å; F657-K661 PolarHBondContact O-N 2.85Å
658	N	72.9	Confident	68.9	Low	82 Å²	82	71.8 Å²	71.8	44%	0.439	38%	0.379	S	S	.	.	H	α-helix	trans	-66.3	-47.4	177	-70.1	-16	0	0	0	111.1	R654 K655 F660 K661 H662	R654-N658 VanDerWaalsContact O-CG 3.3Å; R654-N658 PolarHBondContact O-N 2.87Å; K655-N658 PolarHBondContact O-N 3.46Å; N658-F660 PolarHBondContact O-N 3.43Å; N658-K661 WeakPolarHBondContact O-CA 3.43Å; N658-K661 WeakPolarHBondContact O-CB 3.45Å; N658-K661 PolarHBondContact O-N 3.32Å; N658-H662 PolarHBondContact O-CD2 2.92Å; N658-H662 PolarHBondContact O-N 2.92Å
659	D	69.9	Low	66.5	Low	32 Å²	32	77.8 Å²	77.8	17%	0.171	40%	0.4	C	S	.	.	H	α-helix	trans	-59.3	-39.8	177.3	-60.1	-11.4	0	0	0	110.2	K655 H662 T663 F731	K655-D659 WeakPolarHBondContact CG-OD2 3.05Å; K655-D659 WeakPolarHBondContact O-CB 3Å; K655-D659 PolarHBondContact O-N 3.4Å; D659-H662 PolarHBondContact O-N 2.96Å; D659-T663 WeakPolarHBondContact O-CG2 3.19Å; D659-T663 PolarHBondContact O-N 3.27Å; D659-T663 PolarHBondContact O-OG1 3.37Å; D659-F731 HydrophobicContact CB-CD1 3.65Å; D659-F731 HydrophobicContact CB-CE1 3.95Å
660	F	67.9	Low	64.6	Low	100 Å²	100	83.7 Å²	83.7	44%	0.439	43%	0.427	S	S	.	.	H	α-helix	trans	-65.5	-38.6	174.2	-173	-94.4	0	0	0	112.8	L656 F657 N658 T663 S664 W697 F731	L656-F660 WeakPolarHBondContact O-CB 3.44Å; L656-F660 PolarHBondContact O-N 3.27Å; F657-F660 PolarHBondContact O-N 2.86Å; N658-F660 PolarHBondContact O-N 3.43Å; F660-T663 VanDerWaalsContact CA-OG1 3.31Å; F660-T663 WeakPolarHBondContact CA-OG1 3.15Å; F660-T663 PolarHBondContact O-OG1 2.91Å; F660-T663 VanDerWaalsContact O-OG1 3.08Å; F660-S664 WeakPolarHBondContact CE1-OG 3.36Å; F660-S664 WeakPolarHBondContact CZ-OG 3.48Å; F660-S664 WeakPolarHBondContact O-CB 3.39Å; F660-S664 PolarHBondContact O-N 3.38Å; F660-S664 PolarHBondContact O-OG 3.44Å; F660-W697 HydrophobicContact CD2-CE3 4.43Å; F660-W697 HydrophobicContact CD2-CZ3 4.21Å; F660-F731 HydrophobicContact CB-CE1 4.25Å
661	K	65.7	Low	62.4	Low	143 Å²	143	87.3 Å²	87.3	62%	0.622	45%	0.45	S	S	*	.	H	α-helix	trans	-66.3	-41	176.9	-172.4	-176	176.7	-171.8	0	111.5	F657 N658 G665	F657-K661 WeakPolarHBondContact O-CB 3.28Å; F657-K661 PolarHBondContact O-N 2.85Å; N658-K661 WeakPolarHBondContact O-CA 3.43Å; N658-K661 WeakPolarHBondContact O-CB 3.45Å; N658-K661 PolarHBondContact O-N 3.32Å; K661-G665 PolarHBondContact O-N 2.84Å
662	H	59	Low	59.9	Low	141 Å²	141	90.4 Å²	90.4	65%	0.653	47%	0.469	S	S	*	.	H	α-helix	trans	-64.3	-49.7	175.8	-73.9	-67.9	0	0	0	111.2	N658 D659 S664 G665	N658-H662 PolarHBondContact O-CD2 2.92Å; N658-H662 PolarHBondContact O-N 2.92Å; D659-H662 PolarHBondContact O-N 2.96Å; H662-S664 VanDerWaalsContact C-N 3.31Å; H662-S664 PolarHBondContact O-N 3.4Å; H662-G665 PolarHBondContact O-N 3.05Å
663	T	58.4	Low	57.9	Low	49 Å²	49	93.6 Å²	93.6	30%	0.301	48%	0.48	S	S	.	.	H	α-helix	trans	-66.8	-26.2	179.1	49.9	0	0	0	0	114.4	D659 F660 F731	D659-T663 WeakPolarHBondContact O-CG2 3.19Å; D659-T663 PolarHBondContact O-N 3.27Å; D659-T663 PolarHBondContact O-OG1 3.37Å; F660-T663 VanDerWaalsContact CA-OG1 3.31Å; F660-T663 WeakPolarHBondContact CA-OG1 3.15Å; F660-T663 PolarHBondContact O-OG1 2.91Å; F660-T663 VanDerWaalsContact O-OG1 3.08Å; T663-F731 HydrophobicContact CG2-CZ 4.17Å
664	S	56.3	Low	56	Low	39 Å²	39	97.4 Å²	97.4	27%	0.273	51%	0.507	S	S	.	.	H	α-helix	trans	-87.4	-18.3	175.4	-59.8	0	0	0	0	113.7	F660 H662	F660-S664 WeakPolarHBondContact CE1-OG 3.36Å; F660-S664 WeakPolarHBondContact CZ-OG 3.48Å; F660-S664 WeakPolarHBondContact O-CB 3.39Å; F660-S664 PolarHBondContact O-N 3.38Å; F660-S664 PolarHBondContact O-OG 3.44Å; H662-S664 VanDerWaalsContact C-N 3.31Å; H662-S664 PolarHBondContact O-N 3.4Å
665	G	49.7	Very low	53.8	Low	59 Å²	59	101.1 Å²	101.1	61%	0.608	53%	0.525	S	S	*	.	H	α-helix	trans	-70.4	-31.6	-178.7	0	0	0	0	0	113.6	K661 H662	K661-G665 PolarHBondContact O-N 2.84Å; H662-G665 PolarHBondContact O-N 3.05Å
666	D	48.1	Very low	52.2	Low	151 Å²	151	99.3 Å²	99.3	81%	0.807	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	11.3	-167.2	-79	-17.7	0	0	0	115.8
667	T	42.1	Very low	51.1	Low	62 Å²	62	102.7 Å²	102.7	38%	0.38	54%	0.54	S	S	.	.			trans	-138.1	119.1	176.9	42.4	0	0	0	0	113.3	E669	T667-E669 PolarHBondContact O-N 3.05Å
668	T	40.5	Very low	49.9	Very low	142 Å²	142	99.7 Å²	99.7	87%	0.871	53%	0.531	S	S	*	.			trans	-73.9	11.2	174.1	35.4	0	0	0	0	114.2	K670	T668-K670 PolarHBondContact O-N 3.33Å
669	E	35.5	Very low	48.8	Very low	168 Å²	168	100.3 Å²	100.3	79%	0.785	54%	0.539	S	S	*	.			trans	-99.7	82.4	175.9	-68.9	178.8	179.3	0	0	110	T667	T667-E669 PolarHBondContact O-N 3.05Å
670	K	48	Very low	47.8	Very low	166 Å²	166	106.9 Å²	106.9	72%	0.722	57%	0.566	S	S	*	*			trans	-91.2	-15	-164.3	-83.5	178.2	177.5	169.1	0	119.5	T668	T668-K670 PolarHBondContact O-N 3.33Å
671	P	39	Very low	47	Very low	77 Å²	77	105.3 Å²	105.3	50%	0.5	56%	0.561	S	S	.	*	S	Bend	trans	-90.2	-39.4	-176.8	-7.1	25.3	0	0	0	115.3	R673 C674 F675	P671-R673 VanDerWaalsContact C-N 3.29Å; P671-R673 PolarHBondContact O-N 3.49Å; P671-C674 PolarHBondContact O-N 2.92Å; P671-F675 HydrophobicContact CB-CD2 4.47Å; P671-F675 HydrophobicContact CB-CE2 4.07Å; P671-F675 WeakPolarHBondContact O-CD2 3.49Å
672	D	32	Very low	46.3	Very low	129 Å²	129	103.2 Å²	103.2	69%	0.69	55%	0.552	S	S	*	*	H	α-helix	trans	-72.8	-18.7	-163.1	-68.4	-12	0	0	0	114.6	C674	D672-C674 PolarHBondContact O-N 3.45Å
673	R	40.2	Very low	46	Very low	88 Å²	88	103.8 Å²	103.8	33%	0.332	56%	0.555	S	S	.	*	H	α-helix	trans	-69.3	-24.8	176.5	-96.5	-179.3	179.6	161.6	1.4	114.5	P671 N677	P671-R673 VanDerWaalsContact C-N 3.29Å; P671-R673 PolarHBondContact O-N 3.49Å; R673-N677 PolarHBondContact O-ND2 3.26Å
674	C	41.1	Very low	45.8	Very low	103 Å²	103	105.9 Å²	105.9	70%	0.696	57%	0.568	S	S	*	*	H	α-helix	trans	-94.1	-28.7	-177.4	-77.4	0	0	0	0	113.4	P671 D672 T676	P671-C674 PolarHBondContact O-N 2.92Å; D672-C674 PolarHBondContact O-N 3.45Å; C674-T676 PolarHBondContact O-N 3.25Å
675	F	38.3	Very low	45.4	Very low	137 Å²	137	107.9 Å²	107.9	60%	0.601	58%	0.575	S	S	*	*	H	α-helix	trans	-70.8	-27.8	-174.3	-76.8	-75	0	0	0	113.9	P671	P671-F675 HydrophobicContact CB-CD2 4.47Å; P671-F675 HydrophobicContact CB-CE2 4.07Å; P671-F675 WeakPolarHBondContact O-CD2 3.49Å
676	T	44	Very low	45.4	Very low	59 Å²	59	107.7 Å²	107.7	36%	0.362	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.4	-12.2	-177.4	52.4	0	0	0	0	114.5	C674	C674-T676 PolarHBondContact O-N 3.25Å
677	N	49.9	Very low	45.6	Very low	92 Å²	92	103.6 Å²	103.6	49%	0.492	56%	0.561	S	S	.	*			trans	-96.2	-3.7	-166.3	-79.9	-24.3	0	0	0	115.8	R673 P679	R673-N677 PolarHBondContact O-ND2 3.26Å; N677-P679 WeakPolarHBondContact O-CD 3.18Å
678	N	49.8	Very low	45.8	Very low	75 Å²	75	107.9 Å²	107.9	40%	0.401	58%	0.575	S	S	.	*			trans	-85	118.2	174.4	-168.7	-17.7	0	0	0	109.8	K680 I681 K682	N678-K680 PolarHBondContact O-N 2.86Å; N678-K680 PolarHBondContact OD1-N 3.44Å; N678-I681 HydrophobicContact CB-CB 4.19Å; N678-I681 HydrophobicContact CB-CD1 3.75Å; N678-I681 HydrophobicContact CB-CG1 3.84Å; N678-I681 WeakPolarHBondContact O-CA 3.38Å; N678-I681 PolarHBondContact O-N 3.46Å; N678-K682 PolarHBondContact O-N 3.43Å
679	P	50.2	Low	46.2	Very low	94 Å²	94	106.4 Å²	106.4	61%	0.61	57%	0.57	S	S	*	*	H	α-helix	trans	-57	-27.8	-177.8	21.2	-33	0	0	0	113.2	N677 H683	N677-P679 WeakPolarHBondContact O-CD 3.18Å; P679-H683 PolarHBondContact O-N 2.89Å
680	K	48.7	Very low	46.5	Very low	170 Å²	170	102.9 Å²	102.9	74%	0.739	56%	0.555	S	S	*	*	H	α-helix	trans	-68.6	-35.5	174.2	-66.4	-175.1	177.3	-176	0	112.8	N678 V684	N678-K680 PolarHBondContact O-N 2.86Å; N678-K680 PolarHBondContact OD1-N 3.44Å; K680-V684 WeakPolarHBondContact O-CG2 3.41Å; K680-V684 PolarHBondContact O-N 2.96Å
681	I	51.3	Low	46.5	Very low	67 Å²	67	103.3 Å²	103.3	34%	0.344	56%	0.557	S	S	.	*	H	α-helix	trans	-76.9	-37.6	177.9	-59.4	177	0	0	0	110.2	N678 H683 V684 L685	N678-I681 HydrophobicContact CB-CB 4.19Å; N678-I681 HydrophobicContact CB-CD1 3.75Å; N678-I681 HydrophobicContact CB-CG1 3.84Å; N678-I681 WeakPolarHBondContact O-CA 3.38Å; N678-I681 PolarHBondContact O-N 3.46Å; I681-H683 VanDerWaalsContact C-N 3.27Å; I681-H683 PolarHBondContact O-N 2.78Å; I681-V684 PolarHBondContact O-N 2.73Å; I681-V684 VanDerWaalsContact O-N 3.07Å; I681-L685 HydrophobicContact CG2-CD1 4.03Å; I681-L685 HydrophobicContact CG2-CG 4.34Å; I681-L685 WeakPolarHBondContact O-CG 3.37Å; I681-L685 PolarHBondContact O-N 3.49Å
682	K	49.4	Very low	47.1	Very low	100 Å²	100	106.4 Å²	106.4	44%	0.435	56%	0.559	S	S	.	*	H	α-helix	trans	-59.6	-35.9	174.9	-164.3	175.7	-178.4	178.3	0	112.3	N678 A686	N678-K682 PolarHBondContact O-N 3.43Å; K682-A686 WeakPolarHBondContact O-CB 3.26Å; K682-A686 PolarHBondContact O-N 2.99Å
683	H	53.1	Low	48.3	Very low	153 Å²	153	103.4 Å²	103.4	71%	0.708	54%	0.542	S	S	*	.	H	α-helix	trans	-67.5	-38.1	172.9	-102.2	-70.2	0	0	0	113.4	P679 I681 A686 G687	P679-H683 PolarHBondContact O-N 2.89Å; I681-H683 VanDerWaalsContact C-N 3.27Å; I681-H683 PolarHBondContact O-N 2.78Å; H683-A686 PolarHBondContact O-N 2.9Å; H683-G687 PolarHBondContact O-N 3.42Å
684	V	55.6	Low	49.4	Very low	93 Å²	93	101.2 Å²	101.2	56%	0.564	54%	0.539	S	S	*	.	H	α-helix	trans	-67.1	-41.5	175.4	175.5	0	0	0	0	110.7	K680 I681 G687	K680-V684 WeakPolarHBondContact O-CG2 3.41Å; K680-V684 PolarHBondContact O-N 2.96Å; I681-V684 PolarHBondContact O-N 2.73Å; I681-V684 VanDerWaalsContact O-N 3.07Å; V684-G687 WeakPolarHBondContact O-CA 3.28Å; V684-G687 PolarHBondContact O-N 3.22Å; V684-G687 VanDerWaalsContact O-N 3.11Å
685	L	47.1	Very low	50.3	Low	80 Å²	80	96.4 Å²	96.4	42%	0.419	51%	0.506	S	S	.	.	H	α-helix	trans	-67.1	-34.9	175.4	-68.5	169.5	0	0	0	112.6	I681 G687 F688	I681-L685 HydrophobicContact CG2-CD1 4.03Å; I681-L685 HydrophobicContact CG2-CG 4.34Å; I681-L685 WeakPolarHBondContact O-CG 3.37Å; I681-L685 PolarHBondContact O-N 3.49Å; L685-G687 PolarHBondContact O-N 3.46Å; L685-F688 PolarHBondContact O-N 3.21Å
686	A	50.1	Low	51.4	Low	55 Å²	55	94.1 Å²	94.1	46%	0.455	50%	0.496	S	S	.	.	H	α-helix	trans	-62.9	-30.1	171.4	0	0	0	0	0	112.2	K682 H683 F688 S689	K682-A686 WeakPolarHBondContact O-CB 3.26Å; K682-A686 PolarHBondContact O-N 2.99Å; H683-A686 PolarHBondContact O-N 2.9Å; A686-F688 PolarHBondContact O-N 3.27Å; A686-S689 PolarHBondContact O-N 3.41Å
687	G	51.7	Low	52.2	Low	65 Å²	65	92.8 Å²	92.8	67%	0.67	49%	0.485	S	S	*	.	H	α-helix	trans	-62.6	-27.5	171.8	0	0	0	0	0	113.7	H683 V684 L685 S689	H683-G687 PolarHBondContact O-N 3.42Å; V684-G687 WeakPolarHBondContact O-CA 3.28Å; V684-G687 PolarHBondContact O-N 3.22Å; V684-G687 VanDerWaalsContact O-N 3.11Å; L685-G687 PolarHBondContact O-N 3.46Å; G687-S689 VanDerWaalsContact C-N 3.32Å; G687-S689 PolarHBondContact O-N 2.05Å
688	F	46.6	Very low	52.7	Low	153 Å²	153	89.7 Å²	89.7	67%	0.671	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	20.2	175.2	-72.2	-75.9	0	0	0	113.6	L685 A686 I690	L685-F688 PolarHBondContact O-N 3.21Å; A686-F688 PolarHBondContact O-N 3.27Å; F688-I690 PolarHBondContact O-N 2.96Å; F688-I690 VanDerWaalsContact O-N 3.08Å
689	S	48	Very low	53.3	Low	111 Å²	111	88.2 Å²	88.2	78%	0.776	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	20	171.8	62.3	0	0	0	0	116.4	A686 G687 K691	A686-S689 PolarHBondContact O-N 3.41Å; G687-S689 VanDerWaalsContact C-N 3.32Å; G687-S689 PolarHBondContact O-N 2.05Å; S689-K691 PolarHBondContact O-N 2Å
690	I	43.1	Very low	53.9	Low	93 Å²	93	90.8 Å²	90.8	48%	0.477	47%	0.467	S	S	.	.			trans	-96.8	83.9	171.6	-57.9	166.4	0	0	0	108.3	F688 R692	F688-I690 PolarHBondContact O-N 2.96Å; F688-I690 VanDerWaalsContact O-N 3.08Å; I690-R692 HydrophobicContact CG2-CB 4.47Å; I690-R692 HydrophobicContact CG2-CG 3.65Å; I690-R692 PolarHBondContact O-N 3.34Å; I690-R692 VanDerWaalsContact O-N 3.15Å
691	K	47.4	Very low	54.3	Low	176 Å²	176	87 Å²	87	77%	0.765	45%	0.452	S	S	*	.			trans	-80.4	84.2	168.9	-75.6	-175.1	-178.5	178.2	0	109.3	S689	S689-K691 PolarHBondContact O-N 2Å
692	R	51	Low	54.6	Low	142 Å²	142	84.7 Å²	84.7	54%	0.536	44%	0.44	S	S	.	.			trans	-97.6	120.2	167.8	-71.1	170.8	-175.6	-161.4	12.8	108.8	I690 T694 E701	I690-R692 HydrophobicContact CG2-CB 4.47Å; I690-R692 HydrophobicContact CG2-CG 3.65Å; I690-R692 PolarHBondContact O-N 3.34Å; I690-R692 VanDerWaalsContact O-N 3.15Å; R692-T694 HydrophobicContact CB-CG2 4.43Å; R692-E701 VanDerWaalsContact CD-OE1 3.22Å; R692-E701 WeakPolarHBondContact CD-OE1 3.17Å; R692-E701 IonicContact CZ-OE1 3.69Å; R692-E701 VanDerWaalsContact CZ-OE1 3.3Å; R692-E701 IonicContact NE-OE1 3.8Å; R692-E701 PolarHBondContact NE-OE1 2.92Å; R692-E701 IonicContact NH1-OE1 3.13Å; R692-E701 PolarHBondContact NH1-OE1 3.11Å
693	I	58	Low	55.3	Low	66 Å²	66	82.2 Å²	82.2	34%	0.338	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	109.3	169.5	-65.1	171.3	0	0	0	106.4	I702 Y703 H722	I693-I702 PolarHBondContact O-N 3.35Å; I693-Y703 HydrophobicContact CB-CD2 3.76Å; I693-Y703 HydrophobicContact CD1-CD2 4.07Å; I693-Y703 HydrophobicContact CG2-CD2 3.79Å; I693-Y703 HydrophobicContact CG2-CE2 4.15Å; I693-Y703 PolarHBondContact O-N 2.75Å; I693-H722 HydrophobicContact CG2-CB 4.3Å; I693-H722 WeakPolarHBondContact CG2-CD2 3.4Å
694	T	62.2	Low	55	Low	42 Å²	42	78.5 Å²	78.5	26%	0.258	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	152	-179.7	53.9	0	0	0	0	110.4	R692 F696 S699 K700 E701	R692-T694 HydrophobicContact CB-CG2 4.43Å; T694-F696 PolarHBondContact O-N 3.34Å; T694-S699 WeakPolarHBondContact CG2-O 3.15Å; T694-K700 CarbonylContact C-O 3.51Å; T694-K700 VanDerWaalsContact CA-O 3.28Å; T694-K700 WeakPolarHBondContact CA-O 3.44Å; T694-E701 HydrophobicContact CG2-CG 3.98Å
695	C	61.7	Low	54.7	Low	1 Å²	1	79.1 Å²	79.1	1%	0.007	43%	0.425	C	S	.	.	B	Isolated β-bridge	trans	-60.1	131	169.4	175.5	0	0	0	0	110.1	W697 C698 S699 K700 I702 H722 C724 C727	C695-W697 PolarHBondContact O-N 3.43Å; C695-W697 PolarHBondContact SG-N 3.04Å; C695-C698 WeakPolarHBondContact CB-SG 3.45Å; C695-C698 PolarHBondContact SG-SG 3.4Å; C695-S699 WeakPolarHBondContact O-CA 3.39Å; C695-S699 PolarHBondContact O-N 3.08Å; C695-K700 PolarHBondContact N-O 2.9Å; C695-I702 HydrophobicContact CB-CD1 3.9Å; C695-I702 HydrophobicContact CB-CG1 4.11Å; C695-H722 CarbonylContact C-O 3.58Å; C695-H722 WeakPolarHBondContact CA-O 3.43Å; C695-C724 HydrophobicContact CB-CB 4.24Å; C695-C724 PolarHBondContact SG-N 3.47Å; C695-C727 PolarHBondContact SG-SG 2.95Å
696	F	61.1	Low	54.7	Low	89 Å²	89	84.5 Å²	84.5	39%	0.39	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-33.7	179.4	-177.8	-101.7	0	0	0	113	T694 V721 H722 A736	T694-F696 PolarHBondContact O-N 3.34Å; F696-V721 HydrophobicContact CB-CG1 3.71Å; F696-V721 HydrophobicContact CD2-CG1 3.76Å; F696-V721 HydrophobicContact CG-CG1 3.79Å; F696-H722 PolarHBondContact N-O 3.03Å; F696-A736 HydrophobicContact CD1-CB 4.26Å; F696-A736 HydrophobicContact CE1-CB 3.95Å
697	W	59.8	Low	54.5	Low	32 Å²	32	88.7 Å²	88.7	12%	0.121	46%	0.455	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-51	-173.5	-62.3	108.4	0	0	0	113.7	L656 F660 C695 Y717 C727 F731 A736	L656-W697 HydrophobicContact CD1-CH2 3.58Å; L656-W697 HydrophobicContact CD1-CZ2 4.01Å; L656-W697 HydrophobicContact CD1-CZ3 4.41Å; L656-W697 HydrophobicContact CD2-CH2 4.14Å; L656-W697 HydrophobicContact CG-CH2 4.07Å; F660-W697 HydrophobicContact CD2-CE3 4.43Å; F660-W697 HydrophobicContact CD2-CZ3 4.21Å; C695-W697 PolarHBondContact O-N 3.43Å; C695-W697 PolarHBondContact SG-N 3.04Å; W697-Y717 AromaticContact NE1-CE2 3.9Å; W697-Y717 AromaticContact NE1-CZ 3.78Å; W697-Y717 PolarHBondContact NE1-OH 3.47Å; W697-C727 HydrophobicContact CB-CB 3.98Å; W697-C727 HydrophobicContact CG-CB 4.26Å; W697-F731 HydrophobicContact CB-CD2 4.29Å; W697-F731 HydrophobicContact CB-CE2 3.64Å; W697-F731 HydrophobicContact CB-CZ 4.46Å; W697-F731 AromaticContact CD2-CD2 3.53Å; W697-F731 HydrophobicContact CD2-CD2 3.53Å; W697-F731 AromaticContact CD2-CE2 3.41Å; W697-F731 HydrophobicContact CD2-CE2 3.41Å; W697-F731 VanDerWaalsContact CD2-CE2 3.41Å; W697-F731 HydrophobicContact CD2-CG 4.31Å; W697-F731 AromaticContact CD2-CZ 3.99Å; W697-F731 HydrophobicContact CD2-CZ 3.99Å; W697-F731 AromaticContact CE2-CD2 3.75Å; W697-F731 HydrophobicContact CE3-CD1 4.45Å; W697-F731 AromaticContact CE3-CD2 3.89Å; W697-F731 HydrophobicContact CE3-CD2 3.89Å; W697-F731 HydrophobicContact CE3-CE1 4.01Å; W697-F731 AromaticContact CE3-CE2 3.48Å; W697-F731 HydrophobicContact CE3-CE2 3.48Å; W697-F731 VanDerWaalsContact CE3-CE2 3.48Å; W697-F731 HydrophobicContact CE3-CG 4.42Å; W697-F731 AromaticContact CE3-CZ 3.53Å; W697-F731 HydrophobicContact CE3-CZ 3.53Å; W697-F731 AromaticContact CG-CD2 3.73Å; W697-F731 HydrophobicContact CG-CD2 3.73Å; W697-F731 AromaticContact CG-CE2 3.51Å; W697-F731 HydrophobicContact CG-CE2 3.51Å; W697-F731 HydrophobicContact CG-CZ 4.41Å; W697-F731 HydrophobicContact CH2-CD1 4.49Å; W697-F731 HydrophobicContact CZ2-CD2 4.27Å; W697-F731 HydrophobicContact CZ2-CG 4.32Å; W697-F731 HydrophobicContact CZ3-CD1 4.32Å; W697-F731 HydrophobicContact CZ3-CD2 4.43Å; W697-F731 HydrophobicContact CZ3-CE1 4.05Å; W697-F731 HydrophobicContact CZ3-CE2 4.26Å; W697-F731 HydrophobicContact CZ3-CZ 4.05Å; W697-A736 HydrophobicContact CH2-CB 3.74Å; W697-A736 HydrophobicContact CZ2-CB 3.35Å
698	C	62	Low	54.4	Low	27 Å²	27	95 Å²	95	18%	0.182	47%	0.467	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-1.9	-174.2	67.7	0	0	0	0	113.6	C695 K700 C727	C695-C698 WeakPolarHBondContact CB-SG 3.45Å; C695-C698 PolarHBondContact SG-SG 3.4Å; C698-K700 HydrophobicContact CB-CG 4.34Å; C698-K700 PolarHBondContact O-N 3.49Å; C698-K700 VanDerWaalsContact SG-CB 3.57Å; C698-C727 PolarHBondContact SG-SG 2.87Å
699	S	62.3	Low	54.2	Low	44 Å²	44	96.1 Å²	96.1	31%	0.308	47%	0.472	S	S	.	.			trans	53.4	6.4	-173.7	49.7	0	0	0	0	115.5	T694 C695	T694-S699 WeakPolarHBondContact CG2-O 3.15Å; C695-S699 WeakPolarHBondContact O-CA 3.39Å; C695-S699 PolarHBondContact O-N 3.08Å
700	K	62.2	Low	54.1	Low	148 Å²	148	94.7 Å²	94.7	64%	0.643	46%	0.46	S	S	*	.			trans	-62.8	137.4	173.4	-69.3	-175.3	176.7	-177.9	0	109.4	T694 C695 C698 I702	T694-K700 CarbonylContact C-O 3.51Å; T694-K700 VanDerWaalsContact CA-O 3.28Å; T694-K700 WeakPolarHBondContact CA-O 3.44Å; C695-K700 PolarHBondContact N-O 2.9Å; C698-K700 HydrophobicContact CB-CG 4.34Å; C698-K700 PolarHBondContact O-N 3.49Å; C698-K700 VanDerWaalsContact SG-CB 3.57Å; K700-I702 PolarHBondContact O-N 3.08Å
701	E	56.6	Low	54.4	Low	90 Å²	90	95.5 Å²	95.5	42%	0.421	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	126.5	173.8	-64.8	-179	-174.6	0	0	109.1	R692 T694	R692-E701 VanDerWaalsContact CD-OE1 3.22Å; R692-E701 WeakPolarHBondContact CD-OE1 3.17Å; R692-E701 IonicContact CZ-OE1 3.69Å; R692-E701 VanDerWaalsContact CZ-OE1 3.3Å; R692-E701 IonicContact NE-OE1 3.8Å; R692-E701 PolarHBondContact NE-OE1 2.92Å; R692-E701 IonicContact NH1-OE1 3.13Å; R692-E701 PolarHBondContact NH1-OE1 3.11Å; T694-E701 HydrophobicContact CG2-CG 3.98Å
702	I	58.5	Low	54.5	Low	18 Å²	18	95.3 Å²	95.3	9%	0.092	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-28.9	173.3	-58.6	169.5	0	0	0	109.2	I693 C695 K700 A714 H722	I693-I702 PolarHBondContact O-N 3.35Å; C695-I702 HydrophobicContact CB-CD1 3.9Å; C695-I702 HydrophobicContact CB-CG1 4.11Å; K700-I702 PolarHBondContact O-N 3.08Å; I702-A714 HydrophobicContact CD1-CB 4.37Å; I702-A714 HydrophobicContact CG2-CB 3.55Å; I702-H722 HydrophobicContact CD1-CB 3.47Å; I702-H722 VanDerWaalsContact CD1-CB 3.47Å
703	Y	62.5	Low	54.8	Low	48 Å²	48	93.4 Å²	93.4	19%	0.188	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	140	179.3	-58.4	-90.2	0	0	0	111.7	I693 P710	I693-Y703 HydrophobicContact CB-CD2 3.76Å; I693-Y703 HydrophobicContact CD1-CD2 4.07Å; I693-Y703 HydrophobicContact CG2-CD2 3.79Å; I693-Y703 HydrophobicContact CG2-CE2 4.15Å; I693-Y703 PolarHBondContact O-N 2.75Å; Y703-P710 HydrophobicContact CE1-CB 4.34Å; Y703-P710 VanDerWaalsContact OH-CA 3.3Å; Y703-P710 WeakPolarHBondContact OH-CA 3.28Å; Y703-P710 VanDerWaalsContact OH-CB 3.24Å; Y703-P710 WeakPolarHBondContact OH-CB 3.26Å
704	T	46.9	Very low	54.6	Low	75 Å²	75	91.7 Å²	91.7	46%	0.46	46%	0.462	S	S	.	.			trans	-92	145.8	153.6	65	0	0	0	0	108	K706 E707	T704-K706 PolarHBondContact O-N 3.43Å; T704-E707 PolarHBondContact O-N 3.23Å
705	S	50	Low	54.6	Low	106 Å²	106	91.4 Å²	91.4	74%	0.741	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	0.9	-173.8	54.1	0	0	0	0	116.1
706	K	46.3	Very low	54.4	Low	194 Å²	194	96.9 Å²	96.9	84%	0.843	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	-11.2	-177	-71.3	-172.9	175.7	-177.3	0	114.7	T704	T704-K706 PolarHBondContact O-N 3.43Å
707	E	46.1	Very low	54.1	Low	142 Å²	142	94.7 Å²	94.7	66%	0.664	48%	0.476	S	S	*	.			trans	-121.6	104.7	-178.2	-69	179.6	178	0	0	110.3	T704 K709	T704-E707 PolarHBondContact O-N 3.23Å; E707-K709 PolarHBondContact O-N 3Å
708	E	49.8	Very low	53.8	Low	197 Å²	197	95.6 Å²	95.6	92%	0.921	49%	0.488	S	S	*	.			trans	-75.4	6.2	179.5	-74.9	-174.4	157.7	0	0	114	P710	E708-P710 WeakPolarHBondContact O-CD 3.49Å
709	K	43.2	Very low	53.4	Low	178 Å²	178	102.2 Å²	102.2	77%	0.774	52%	0.516	S	S	*	.	S	Bend	trans	-92.1	120	178.2	-67.9	-171.3	-178.8	-178.5	0	110.2	E707 I711	E707-K709 PolarHBondContact O-N 3Å; K709-I711 PolarHBondContact O-N 3.45Å; K709-I711 VanDerWaalsContact O-N 3.13Å
710	P	46.3	Very low	53.1	Low	80 Å²	80	105.8 Å²	105.8	52%	0.519	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-55.2	119.6	165.4	24.3	-31.6	0	0	0	108.4	Y703 E708 E712	Y703-P710 HydrophobicContact CE1-CB 4.34Å; Y703-P710 VanDerWaalsContact OH-CA 3.3Å; Y703-P710 WeakPolarHBondContact OH-CA 3.28Å; Y703-P710 VanDerWaalsContact OH-CB 3.24Å; Y703-P710 WeakPolarHBondContact OH-CB 3.26Å; E708-P710 WeakPolarHBondContact O-CD 3.49Å; P710-E712 PolarHBondContact O-N 3.4Å; P710-E712 VanDerWaalsContact O-N 3.15Å
711	I	48.1	Very low	53	Low	111 Å²	111	100.8 Å²	100.8	57%	0.569	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-54.7	124.6	154.8	-55.4	176	0	0	0	104.2	K709 N713 A714	K709-I711 PolarHBondContact O-N 3.45Å; K709-I711 VanDerWaalsContact O-N 3.13Å; I711-N713 HydrophobicContact CG2-CB 4.4Å; I711-N713 PolarHBondContact O-N 2.82Å; I711-A714 PolarHBondContact O-N 3.45Å
712	E	50.1	Low	53.3	Low	172 Å²	172	97.6 Å²	97.6	80%	0.804	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	8.9	-168.4	-70.1	176.6	151	0	0	115.1	P710	P710-E712 PolarHBondContact O-N 3.4Å; P710-E712 VanDerWaalsContact O-N 3.15Å
713	N	56.6	Low	53.6	Low	101 Å²	101	96.8 Å²	96.8	54%	0.54	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.8	18.4	-169.5	-67.9	-26.9	0	0	0	113.7	I711 S725	I711-N713 HydrophobicContact CG2-CB 4.4Å; I711-N713 PolarHBondContact O-N 2.82Å; N713-S725 VanDerWaalsContact O-CB 3.31Å; N713-S725 WeakPolarHBondContact O-CB 3.23Å; N713-S725 PolarHBondContact O-N 3.21Å
714	A	55.5	Low	53.9	Low	31 Å²	31	95.8 Å²	95.8	26%	0.256	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	122.7	177.9	0	0	0	0	0	113.1	I702 I711 S723	I702-A714 HydrophobicContact CD1-CB 4.37Å; I702-A714 HydrophobicContact CG2-CB 3.55Å; I711-A714 PolarHBondContact O-N 3.45Å; A714-S723 VanDerWaalsContact CA-O 3.32Å; A714-S723 WeakPolarHBondContact CA-O 3.39Å
715	S	61.4	Low	54.9	Low	35 Å²	35	94 Å²	94	25%	0.245	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	137	175.6	55.3	0	0	0	0	111.2	H722 S723 Q728	S715-H722 WeakPolarHBondContact O-CA 2.92Å; S715-S723 PolarHBondContact N-O 3.06Å; S715-S723 VanDerWaalsContact N-O 3.08Å; S715-S723 PolarHBondContact O-N 3.11Å; S715-S723 PolarHBondContact OG-OG 2.82Å; S715-Q728 PolarHBondContact OG-OE1 2.82Å
716	Q	57.5	Low	55.7	Low	116 Å²	116	94 Å²	94	54%	0.542	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	120.4	176.8	-173.5	176.4	13.6	0	0	110	S718 E719	Q716-S718 WeakPolarHBondContact CG-O 3.38Å; Q716-S718 PolarHBondContact NE2-O 2.87Å; Q716-S718 VanDerWaalsContact NE2-O 3.11Å; Q716-E719 VanDerWaalsContact NE2-CA 3.32Å; Q716-E719 PolarHBondContact NE2-O 3.3Å; Q716-E719 VanDerWaalsContact NE2-O 3.16Å
717	Y	54.1	Low	56.6	Low	43 Å²	43	85 Å²	85	17%	0.169	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-32.9	175.9	-63	-72.7	0	0	0	113	W697 V721 S723 C735 L742	W697-Y717 AromaticContact NE1-CE2 3.9Å; W697-Y717 AromaticContact NE1-CZ 3.78Å; W697-Y717 PolarHBondContact NE1-OH 3.47Å; Y717-V721 HydrophobicContact CD2-CG1 3.9Å; Y717-V721 PolarHBondContact N-O 3.37Å; Y717-S723 WeakPolarHBondContact CE2-OG 3.32Å; Y717-S723 VanDerWaalsContact OH-CB 3.23Å; Y717-S723 WeakPolarHBondContact OH-CB 3.37Å; Y717-S723 PolarHBondContact OH-OG 3.43Å; Y717-C735 HydrophobicContact CD1-CB 4.38Å; Y717-L742 HydrophobicContact CE1-CD1 4.03Å
718	S	53	Low	57.6	Low	51 Å²	51	79.6 Å²	79.6	36%	0.357	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	174.1	177.2	68.2	0	0	0	0	109.4	Q716 N720 V721	Q716-S718 WeakPolarHBondContact CG-O 3.38Å; Q716-S718 PolarHBondContact NE2-O 2.87Å; Q716-S718 VanDerWaalsContact NE2-O 3.11Å; S718-N720 PolarHBondContact O-N 3.42Å; S718-V721 PolarHBondContact O-N 2.71Å; S718-V721 WeakPolarHBondContact OG-CG2 3.36Å
719	E	55	Low	58.4	Low	167 Å²	167	76 Å²	76	78%	0.78	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.9	-27.5	-175.7	-73.8	176.2	-178.1	0	0	114.9	Q716	Q716-E719 VanDerWaalsContact NE2-CA 3.32Å; Q716-E719 PolarHBondContact NE2-O 3.3Å; Q716-E719 VanDerWaalsContact NE2-O 3.16Å
720	N	56.2	Low	59.3	Low	118 Å²	118	71.8 Å²	71.8	63%	0.631	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.2	15	-175.7	-64.6	-49.7	0	0	0	116	S718	S718-N720 PolarHBondContact O-N 3.42Å
721	V	59.6	Low	60.1	Low	43 Å²	43	68.3 Å²	68.3	26%	0.261	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	116.3	-177.2	-170.7	0	0	0	0	110.3	F696 Y717 S718	F696-V721 HydrophobicContact CB-CG1 3.71Å; F696-V721 HydrophobicContact CD2-CG1 3.76Å; F696-V721 HydrophobicContact CG-CG1 3.79Å; Y717-V721 HydrophobicContact CD2-CG1 3.9Å; Y717-V721 PolarHBondContact N-O 3.37Å; S718-V721 PolarHBondContact O-N 2.71Å; S718-V721 WeakPolarHBondContact OG-CG2 3.36Å
722	H	62	Low	60.8	Low	24 Å²	24	63.9 Å²	63.9	11%	0.111	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	145.5	179.9	-60.4	-87.8	0	0	0	110.9	I693 C695 F696 I702 S715	I693-H722 HydrophobicContact CG2-CB 4.3Å; I693-H722 WeakPolarHBondContact CG2-CD2 3.4Å; C695-H722 CarbonylContact C-O 3.58Å; C695-H722 WeakPolarHBondContact CA-O 3.43Å; F696-H722 PolarHBondContact N-O 3.03Å; I702-H722 HydrophobicContact CD1-CB 3.47Å; I702-H722 VanDerWaalsContact CD1-CB 3.47Å; S715-H722 WeakPolarHBondContact O-CA 2.92Å
723	S	65.5	Low	61.5	Low	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	147.6	167.6	37.7	0	0	0	0	111.8	A714 S715 Y717	A714-S723 VanDerWaalsContact CA-O 3.32Å; A714-S723 WeakPolarHBondContact CA-O 3.39Å; S715-S723 PolarHBondContact N-O 3.06Å; S715-S723 VanDerWaalsContact N-O 3.08Å; S715-S723 PolarHBondContact O-N 3.11Å; S715-S723 PolarHBondContact OG-OG 2.82Å; Y717-S723 WeakPolarHBondContact CE2-OG 3.32Å; Y717-S723 VanDerWaalsContact OH-CB 3.23Å; Y717-S723 WeakPolarHBondContact OH-CB 3.37Å; Y717-S723 PolarHBondContact OH-OG 3.43Å
724	C	68.6	Low	61.9	Low	27 Å²	27	52.1 Å²	52.1	18%	0.182	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	144.9	163	92.4	0	0	0	0	110.8	C695 I726 C727 Q728	C695-C724 HydrophobicContact CB-CB 4.24Å; C695-C724 PolarHBondContact SG-N 3.47Å; C724-I726 VanDerWaalsContact C-N 3.3Å; C724-I726 PolarHBondContact O-N 3.09Å; C724-C727 HydrophobicContact CB-CB 4.26Å; C724-C727 WeakPolarHBondContact CB-SG 3.1Å; C724-C727 VanDerWaalsContact O-CB 3.31Å; C724-C727 WeakPolarHBondContact O-CB 3.43Å; C724-C727 PolarHBondContact O-N 2.93Å; C724-C727 WeakPolarHBondContact SG-CB 3.3Å; C724-C727 PolarHBondContact SG-N 3.43Å; C724-C727 CovalentContact SG-SG 2.07Å; C724-C727 PolarHBondContact SG-SG 2.67Å; C724-Q728 PolarHBondContact O-N 3.38Å
725	S	67.7	Low	62.2	Low	37 Å²	37	50.9 Å²	50.9	26%	0.259	27%	0.274	S	S	.	.	H	α-helix	trans	-57.6	-41.4	178.3	58.9	0	0	0	0	112.4	N713 C727 Q728 L729	N713-S725 VanDerWaalsContact O-CB 3.31Å; N713-S725 WeakPolarHBondContact O-CB 3.23Å; N713-S725 PolarHBondContact O-N 3.21Å; S725-C727 PolarHBondContact O-N 3.36Å; S725-Q728 WeakPolarHBondContact O-CB 3.45Å; S725-Q728 PolarHBondContact O-N 3.01Å; S725-Q728 VanDerWaalsContact O-N 3.09Å; S725-L729 WeakPolarHBondContact O-CG 3.32Å; S725-L729 PolarHBondContact O-N 3.17Å
726	I	66.8	Low	62	Low	107 Å²	107	50.3 Å²	50.3	55%	0.549	27%	0.271	S	S	.	.	H	α-helix	trans	-57.3	-50.5	176.1	-56.9	171.1	0	0	0	109.9	C724 Q728 L729 D730	C724-I726 VanDerWaalsContact C-N 3.3Å; C724-I726 PolarHBondContact O-N 3.09Å; I726-Q728 VanDerWaalsContact C-N 3.26Å; I726-Q728 PolarHBondContact O-N 2.75Å; I726-L729 WeakPolarHBondContact O-CB 3.47Å; I726-L729 PolarHBondContact O-N 3.4Å; I726-L729 VanDerWaalsContact O-N 3.14Å; I726-D730 PolarHBondContact O-N 3.09Å
727	C	65.8	Low	62	Low	5 Å²	5	50.7 Å²	50.7	3%	0.034	28%	0.277	C	S	.	.	H	α-helix	trans	-58.8	-41.7	176.8	-49.1	0	0	0	0	110.6	C695 W697 C698 C724 S725 L729 D730 F731	C695-C727 PolarHBondContact SG-SG 2.95Å; W697-C727 HydrophobicContact CB-CB 3.98Å; W697-C727 HydrophobicContact CG-CB 4.26Å; C698-C727 PolarHBondContact SG-SG 2.87Å; C724-C727 HydrophobicContact CB-CB 4.26Å; C724-C727 WeakPolarHBondContact CB-SG 3.1Å; C724-C727 VanDerWaalsContact O-CB 3.31Å; C724-C727 WeakPolarHBondContact O-CB 3.43Å; C724-C727 PolarHBondContact O-N 2.93Å; C724-C727 WeakPolarHBondContact SG-CB 3.3Å; C724-C727 PolarHBondContact SG-N 3.43Å; C724-C727 CovalentContact SG-SG 2.07Å; C724-C727 PolarHBondContact SG-SG 2.67Å; S725-C727 PolarHBondContact O-N 3.36Å; C727-L729 VanDerWaalsContact C-N 3.34Å; C727-L729 PolarHBondContact O-N 2.99Å; C727-D730 PolarHBondContact O-N 3.49Å; C727-F731 WeakPolarHBondContact O-CD2 3.08Å; C727-F731 PolarHBondContact O-N 3.17Å
728	Q	66.3	Low	62.2	Low	28 Å²	28	51.9 Å²	51.9	13%	0.131	29%	0.291	C	S	.	.	H	α-helix	trans	-64	-39.7	179.5	-170.5	-172.6	-36.4	0	0	112.1	S715 C724 S725 I726 G732 N733	S715-Q728 PolarHBondContact OG-OE1 2.82Å; C724-Q728 PolarHBondContact O-N 3.38Å; S725-Q728 WeakPolarHBondContact O-CB 3.45Å; S725-Q728 PolarHBondContact O-N 3.01Å; S725-Q728 VanDerWaalsContact O-N 3.09Å; I726-Q728 VanDerWaalsContact C-N 3.26Å; I726-Q728 PolarHBondContact O-N 2.75Å; Q728-G732 PolarHBondContact O-N 3.49Å; Q728-N733 WeakPolarHBondContact CG-OD1 3.45Å; Q728-N733 PolarHBondContact NE2-OD1 3.44Å; Q728-N733 PolarHBondContact O-N 3.22Å
729	L	66.8	Low	62.6	Low	121 Å²	121	54.1 Å²	54.1	63%	0.634	29%	0.292	S	S	*	.	H	α-helix	trans	-66.5	-45.8	173.7	-70.4	169.4	0	0	0	111.1	S725 I726 C727 F731 G732	S725-L729 WeakPolarHBondContact O-CG 3.32Å; S725-L729 PolarHBondContact O-N 3.17Å; I726-L729 WeakPolarHBondContact O-CB 3.47Å; I726-L729 PolarHBondContact O-N 3.4Å; I726-L729 VanDerWaalsContact O-N 3.14Å; C727-L729 VanDerWaalsContact C-N 3.34Å; C727-L729 PolarHBondContact O-N 2.99Å; L729-F731 VanDerWaalsContact C-N 3.29Å; L729-F731 PolarHBondContact O-N 2.84Å; L729-G732 WeakPolarHBondContact O-CA 3.35Å; L729-G732 PolarHBondContact O-N 2.78Å
730	D	63.3	Low	62.8	Low	91 Å²	91	48.8 Å²	48.8	49%	0.487	27%	0.27	S	S	.	.	H	α-helix	trans	-58.3	-40.1	178.3	-67.4	-21.5	0	0	0	112	I726 C727 G732	I726-D730 PolarHBondContact O-N 3.09Å; C727-D730 PolarHBondContact O-N 3.49Å; D730-G732 VanDerWaalsContact C-N 3.26Å; D730-G732 PolarHBondContact O-N 3.5Å
731	F	61.6	Low	63.1	Low	7 Å²	7	48.3 Å²	48.3	3%	0.031	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	15.5	176.5	-65.4	-67.5	0	0	0	113.5	L656 D659 F660 T663 W697 C727 L729 N733 I734	L656-F731 HydrophobicContact CD1-CB 4.14Å; L656-F731 HydrophobicContact CD1-CD1 3.92Å; L656-F731 HydrophobicContact CD1-CG 4.27Å; D659-F731 HydrophobicContact CB-CD1 3.65Å; D659-F731 HydrophobicContact CB-CE1 3.95Å; F660-F731 HydrophobicContact CB-CE1 4.25Å; T663-F731 HydrophobicContact CG2-CZ 4.17Å; W697-F731 HydrophobicContact CB-CD2 4.29Å; W697-F731 HydrophobicContact CB-CE2 3.64Å; W697-F731 HydrophobicContact CB-CZ 4.46Å; W697-F731 AromaticContact CD2-CD2 3.53Å; W697-F731 HydrophobicContact CD2-CD2 3.53Å; W697-F731 AromaticContact CD2-CE2 3.41Å; W697-F731 HydrophobicContact CD2-CE2 3.41Å; W697-F731 VanDerWaalsContact CD2-CE2 3.41Å; W697-F731 HydrophobicContact CD2-CG 4.31Å; W697-F731 AromaticContact CD2-CZ 3.99Å; W697-F731 HydrophobicContact CD2-CZ 3.99Å; W697-F731 AromaticContact CE2-CD2 3.75Å; W697-F731 HydrophobicContact CE3-CD1 4.45Å; W697-F731 AromaticContact CE3-CD2 3.89Å; W697-F731 HydrophobicContact CE3-CD2 3.89Å; W697-F731 HydrophobicContact CE3-CE1 4.01Å; W697-F731 AromaticContact CE3-CE2 3.48Å; W697-F731 HydrophobicContact CE3-CE2 3.48Å; W697-F731 VanDerWaalsContact CE3-CE2 3.48Å; W697-F731 HydrophobicContact CE3-CG 4.42Å; W697-F731 AromaticContact CE3-CZ 3.53Å; W697-F731 HydrophobicContact CE3-CZ 3.53Å; W697-F731 AromaticContact CG-CD2 3.73Å; W697-F731 HydrophobicContact CG-CD2 3.73Å; W697-F731 AromaticContact CG-CE2 3.51Å; W697-F731 HydrophobicContact CG-CE2 3.51Å; W697-F731 HydrophobicContact CG-CZ 4.41Å; W697-F731 HydrophobicContact CH2-CD1 4.49Å; W697-F731 HydrophobicContact CZ2-CD2 4.27Å; W697-F731 HydrophobicContact CZ2-CG 4.32Å; W697-F731 HydrophobicContact CZ3-CD1 4.32Å; W697-F731 HydrophobicContact CZ3-CD2 4.43Å; W697-F731 HydrophobicContact CZ3-CE1 4.05Å; W697-F731 HydrophobicContact CZ3-CE2 4.26Å; W697-F731 HydrophobicContact CZ3-CZ 4.05Å; C727-F731 WeakPolarHBondContact O-CD2 3.08Å; C727-F731 PolarHBondContact O-N 3.17Å; L729-F731 VanDerWaalsContact C-N 3.29Å; L729-F731 PolarHBondContact O-N 2.84Å; F731-N733 PolarHBondContact O-N 3.4Å; F731-I734 PolarHBondContact O-N 2.9Å
732	G	63.4	Low	62.8	Low	17 Å²	17	49 Å²	49	18%	0.175	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.4	36.5	172.5	0	0	0	0	0	114.9	Q728 L729 D730 I734	Q728-G732 PolarHBondContact O-N 3.49Å; L729-G732 WeakPolarHBondContact O-CA 3.35Å; L729-G732 PolarHBondContact O-N 2.78Å; D730-G732 VanDerWaalsContact C-N 3.26Å; D730-G732 PolarHBondContact O-N 3.5Å; G732-I734 PolarHBondContact O-N 3.38Å
733	N	65.9	Low	62	Low	25 Å²	25	56 Å²	56	13%	0.134	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	24.7	-177.8	-68.2	-45	0	0	0	114.6	Q728 F731 L742	Q728-N733 WeakPolarHBondContact CG-OD1 3.45Å; Q728-N733 PolarHBondContact NE2-OD1 3.44Å; Q728-N733 PolarHBondContact O-N 3.22Å; F731-N733 PolarHBondContact O-N 3.4Å; N733-L742 HydrophobicContact CB-CB 4.48Å; N733-L742 WeakPolarHBondContact O-CB 3.19Å; N733-L742 WeakPolarHBondContact O-CG 3.37Å; N733-L742 PolarHBondContact O-N 2.79Å
734	I	63.3	Low	60.6	Low	2 Å²	2	59.8 Å²	59.8	1%	0.01	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-87.8	126.8	176.8	-60.8	169.5	0	0	0	109.8	N652 K655 L656 F731 G732 A736 L741	N652-I734 HydrophobicContact CB-CD1 4.03Å; N652-I734 HydrophobicContact CB-CG2 4.32Å; K655-I734 HydrophobicContact CB-CD1 4.22Å; K655-I734 HydrophobicContact CD-CD1 3.98Å; K655-I734 HydrophobicContact CG-CD1 4.22Å; L656-I734 HydrophobicContact CD1-CB 4.41Å; L656-I734 HydrophobicContact CD1-CG2 4.4Å; F731-I734 PolarHBondContact O-N 2.9Å; G732-I734 PolarHBondContact O-N 3.38Å; I734-A736 PolarHBondContact O-N 3Å; I734-L741 HydrophobicContact CG1-CD2 4.44Å; I734-L741 HydrophobicContact CG1-CG 4.42Å
735	C	61.7	Low	58.7	Low	5 Å²	5	68.2 Å²	68.2	3%	0.034	36%	0.36	C	S	.	.			trans	-68.9	126.1	174	174.8	0	0	0	0	111	Y717 N737 C738 R739 T740 L742	Y717-C735 HydrophobicContact CD1-CB 4.38Å; C735-N737 VanDerWaalsContact C-N 3.28Å; C735-N737 PolarHBondContact O-N 3.15Å; C735-C738 HydrophobicContact CB-CB 4.04Å; C735-C738 PolarHBondContact SG-N 2.8Å; C735-C738 VanDerWaalsContact SG-N 3.37Å; C735-R739 WeakPolarHBondContact O-CA 3.07Å; C735-R739 PolarHBondContact O-N 2.75Å; C735-T740 PolarHBondContact N-O 2.7Å; C735-L742 HydrophobicContact CB-CD2 4.08Å; C735-L742 HydrophobicContact CB-CG 4.19Å
736	A	59.2	Low	57.2	Low	22 Å²	22	74.2 Å²	74.2	18%	0.182	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-40	-179.5	0	0	0	0	0	113.4	F696 W697 I734	F696-A736 HydrophobicContact CD1-CB 4.26Å; F696-A736 HydrophobicContact CE1-CB 3.95Å; W697-A736 HydrophobicContact CH2-CB 3.74Å; W697-A736 HydrophobicContact CZ2-CB 3.35Å; I734-A736 PolarHBondContact O-N 3Å
737	N	56.6	Low	55.4	Low	124 Å²	124	73.6 Å²	73.6	66%	0.663	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-49.9	-174	-160.9	25.2	0	0	0	111.2	C735	C735-N737 VanDerWaalsContact C-N 3.28Å; C735-N737 PolarHBondContact O-N 3.15Å
738	C	58.1	Low	53.9	Low	69 Å²	69	82.7 Å²	82.7	47%	0.466	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-15	-177.5	-60.5	0	0	0	0	113.4	R649 C735 T740	R649-C738 PolarHBondContact NH1-O 3Å; C735-C738 HydrophobicContact CB-CB 4.04Å; C735-C738 PolarHBondContact SG-N 2.8Å; C735-C738 VanDerWaalsContact SG-N 3.37Å; C738-T740 WeakPolarHBondContact CB-OG1 3.3Å; C738-T740 PolarHBondContact O-N 2.93Å
739	R	61.3	Low	52.6	Low	98 Å²	98	88.3 Å²	88.3	37%	0.37	46%	0.455	S	S	.	.			trans	39.3	36.4	-172.2	-31	-177.6	-171.2	164.2	-13.8	114.2	R649 N652 D653 C735	R649-R739 VanDerWaalsContact NH1-CB 3.31Å; R649-R739 VanDerWaalsContact NH2-CG 3.32Å; N652-R739 PolarHBondContact ND2-O 3.37Å; D653-R739 WeakPolarHBondContact OD1-CB 3.42Å; D653-R739 WeakPolarHBondContact OD1-CD 3.41Å; D653-R739 IonicContact OD1-NE 3.67Å; D653-R739 IonicContact OD1-NH1 2.85Å; D653-R739 WeakPolarHBondContact OD2-CD 3.3Å; D653-R739 IonicContact OD2-CZ 3.6Å; D653-R739 IonicContact OD2-NE 3.54Å; D653-R739 IonicContact OD2-NH1 3.49Å; D653-R739 PolarHBondContact OD2-NH1 2.96Å; C735-R739 WeakPolarHBondContact O-CA 3.07Å; C735-R739 PolarHBondContact O-N 2.75Å
740	T	60.1	Low	51.1	Low	54 Å²	54	84.4 Å²	84.4	33%	0.331	44%	0.444	S	S	.	.	S	Bend	trans	-108.7	146.1	172.9	47.8	0	0	0	0	108.3	C735 C738 L742	C735-T740 PolarHBondContact N-O 2.7Å; C738-T740 WeakPolarHBondContact CB-OG1 3.3Å; C738-T740 PolarHBondContact O-N 2.93Å; T740-L742 PolarHBondContact O-N 2.92Å
741	L	61	Low	49.6	Very low	108 Å²	108	86 Å²	86	57%	0.565	45%	0.451	S	S	*	.	B	Isolated β-bridge	trans	-57.5	124.8	164.5	-85.9	148.1	0	0	0	108.6	I734 L743	I734-L741 HydrophobicContact CG1-CD2 4.44Å; I734-L741 HydrophobicContact CG1-CG 4.42Å; L741-L743 PolarHBondContact O-N 2.83Å
742	L	54.1	Low	48.3	Very low	59 Å²	59	93.4 Å²	93.4	31%	0.309	49%	0.486	S	S	.	.			trans	-69	115.6	166.8	-66.6	167.4	0	0	0	106.1	Y717 N733 C735 T740 L744	Y717-L742 HydrophobicContact CE1-CD1 4.03Å; N733-L742 HydrophobicContact CB-CB 4.48Å; N733-L742 WeakPolarHBondContact O-CB 3.19Å; N733-L742 WeakPolarHBondContact O-CG 3.37Å; N733-L742 PolarHBondContact O-N 2.79Å; C735-L742 HydrophobicContact CB-CD2 4.08Å; C735-L742 HydrophobicContact CB-CG 4.19Å; T740-L742 PolarHBondContact O-N 2.92Å; L742-L744 PolarHBondContact O-N 3.31Å
743	L	45.2	Very low	47.2	Very low	169 Å²	169	99.9 Å²	99.9	89%	0.885	51%	0.512	S	S	*	.			trans	-58.5	115	159	-75.4	159.2	0	0	0	105.1	L741 K745	L741-L743 PolarHBondContact O-N 2.83Å; L743-K745 VanDerWaalsContact C-N 3.31Å; L743-K745 PolarHBondContact O-N 3.33Å
744	L	35.9	Very low	45.8	Very low	81 Å²	81	106.7 Å²	106.7	42%	0.424	54%	0.542	S	S	.	.			trans	-52.8	102.6	171.1	-77.4	155.8	0	0	0	106.5	L742 Y746	L742-L744 PolarHBondContact O-N 3.31Å; L744-Y746 HydrophobicContact CB-CD2 3.61Å; L744-Y746 HydrophobicContact CB-CE2 3.75Å; L744-Y746 HydrophobicContact CB-CG 4.36Å; L744-Y746 HydrophobicContact CD1-CD2 4.29Å; L744-Y746 HydrophobicContact CD1-CE2 3.52Å; L744-Y746 HydrophobicContact CD2-CE2 4.46Å; L744-Y746 HydrophobicContact CG-CD2 4.42Å; L744-Y746 HydrophobicContact CG-CE2 4.09Å; L744-Y746 PolarHBondContact O-N 3.18Å
745	K	29.9	Very low	44.6	Very low	203 Å²	203	112.4 Å²	112.4	88%	0.883	57%	0.572	S	S	*	*			trans	-73.4	79.5	157.3	-150.2	-176.9	-170.7	-171.3	0	102.8	L743 S747	L743-K745 VanDerWaalsContact C-N 3.31Å; L743-K745 PolarHBondContact O-N 3.33Å; K745-S747 PolarHBondContact O-N 2.61Å
746	Y	34.9	Very low	43.7	Very low	163 Å²	163	118.2 Å²	118.2	64%	0.639	60%	0.603	S	S	*	*			trans	-57.4	98.2	168.8	-89.3	-77.6	0	0	0	105.7	L744 Q748	L744-Y746 HydrophobicContact CB-CD2 3.61Å; L744-Y746 HydrophobicContact CB-CE2 3.75Å; L744-Y746 HydrophobicContact CB-CG 4.36Å; L744-Y746 HydrophobicContact CD1-CD2 4.29Å; L744-Y746 HydrophobicContact CD1-CE2 3.52Å; L744-Y746 HydrophobicContact CD2-CE2 4.46Å; L744-Y746 HydrophobicContact CG-CD2 4.42Å; L744-Y746 HydrophobicContact CG-CE2 4.09Å; L744-Y746 PolarHBondContact O-N 3.18Å; Y746-Q748 PolarHBondContact O-N 2.86Å
747	S	30.2	Very low	42.9	Very low	94 Å²	94	123.8 Å²	123.8	66%	0.657	63%	0.63	S	S	*	*			trans	-59.7	123.8	146.7	42.5	0	0	0	0	105.4	K745 I749	K745-S747 PolarHBondContact O-N 2.61Å; S747-I749 PolarHBondContact O-N 2.87Å
748	Q	34	Very low	41.9	Very low	197 Å²	197	126.7 Å²	126.7	92%	0.921	64%	0.639	S	S	*	*	S	Bend	trans	-61.4	31.6	-174.5	-88.1	170.6	-53.3	0	0	115.5	Y746	Y746-Q748 PolarHBondContact O-N 2.86Å
749	I	39	Very low	40.9	Very low	146 Å²	146	135.2 Å²	135.2	75%	0.749	67%	0.672	S	S	*	*			trans	-129.8	75.2	-166.5	-50.1	176.3	0	0	0	109.8	S747	S747-I749 PolarHBondContact O-N 2.87Å
750	G	34.4	Very low	39.9	Very low	39 Å²	39	137.1 Å²	137.1	40%	0.402	69%	0.687	S	S	.	*	S	Bend	trans	166	-10.7	168	0	0	0	0	0	117.5	E752	G750-E752 PolarHBondContact O-N 2.71Å
751	L	32.1	Very low	38.8	Very low	123 Å²	123	141.4 Å²	141.4	64%	0.644	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	-18.1	172.1	-139.8	96.2	0	0	0	112.3
752	E	35	Very low	37.6	Very low	164 Å²	164	143.3 Å²	143.3	77%	0.766	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-26.1	178.1	-73.3	-178.7	170.3	0	0	113.3	G750	G750-E752 PolarHBondContact O-N 2.71Å
753	E	40.7	Very low	36.6	Very low	153 Å²	153	148.2 Å²	148.2	72%	0.715	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-28.7	179.9	-80	-174	163.6	0	0	113.7
754	H	34.6	Very low	36.1	Very low	167 Å²	167	146.9 Å²	146.9	77%	0.773	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	-17.1	178.6	-104	-60.9	0	0	0	114.3
755	L	39.3	Very low	36.1	Very low	122 Å²	122	151.3 Å²	151.3	64%	0.639	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.8	-17.6	175.8	-74.8	168.9	0	0	0	113.4
756	N	43.3	Very low	36.5	Very low	127 Å²	127	147.6 Å²	147.6	68%	0.679	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	3.5	-179.1	-74.2	-3.5	0	0	0	114.6
757	N	41.8	Very low	36.6	Very low	140 Å²	140	146.5 Å²	146.5	75%	0.749	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.7	15.1	175.3	-76.5	-14.5	0	0	0	113.6
758	E	34.8	Very low	37.2	Very low	184 Å²	184	150.8 Å²	150.8	86%	0.86	76%	0.755	S	S	*	*			trans	-121.9	21.5	170.4	-75.2	-169.1	165.4	0	0	113.8
759	E	37.4	Very low	37.5	Very low	248 Å²	248	146.6 Å²	146.6	100%	1.159	74%	0.739	S	S	*	*			trans	-93.2	0	151.3	-73.2	-171.8	169	0	0	109.6

Retrieved 759 of 759 residues in 1431.5 ms (Link to these results)

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