A0A087Y4R2_POEFO Loading...

Relaxin family peptide receptor 2a

AlphaFold DB , UniProt , Accession A0A087Y4R2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 753 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	L	32.6	Very low	33.7	Very low	205 Å²	205	161.2 Å²	161.2	100%	1.073	80%	0.804	S	S	*	*				0	96.8	0	-81.3	150.6	0	0	0	106.3
2	K	27.5	Very low	34.2	Very low	165 Å²	165	157.5 Å²	157.5	72%	0.717	80%	0.796	S	S	*	*				102	123.1	78.9	-106	-168.4	-174.6	178.8	0	107.7
3	H	31	Very low	34.4	Very low	168 Å²	168	156.6 Å²	156.6	78%	0.778	79%	0.793	S	S	*	*			trans	67.7	148.7	154.1	-63.1	-59	0	0	0	117.5
4	A	32.3	Very low	34.3	Very low	79 Å²	79	158 Å²	158	65%	0.653	79%	0.792	S	S	*	*			cis	179.9	127	-17.6	0	0	0	0	0	104.2
5	R	32	Very low	34.2	Very low	252 Å²	252	156.8 Å²	156.8	95%	0.951	79%	0.788	S	S	*	*			trans	162.9	105.8	138.1	-99.3	178.4	174.5	171.4	-0.4	109.4
6	M	30.1	Very low	34.3	Very low	187 Å²	187	152.9 Å²	152.9	92%	0.921	78%	0.775	S	S	*	*			trans	-149.8	122.7	145.7	-145	172.5	162	0	0	111.1
7	S	34.1	Very low	34.2	Very low	91 Å²	91	156.2 Å²	156.2	64%	0.636	78%	0.775	S	S	*	*			trans	60.5	120.8	149.6	-165	0	0	0	0	121.2	N9	S7-N9 VanDerWaalsContact C-N 3.32Å; S7-N9 PolarHBondContact O-N 3.37Å
8	R	38.7	Very low	34.1	Very low	245 Å²	245	156.7 Å²	156.7	93%	0.925	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	24.9	-177.9	-140.1	175.5	-173.7	-177	-0.1	113.1
9	N	40.4	Very low	34	Very low	134 Å²	134	152.1 Å²	152.1	72%	0.717	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.5	7.8	-174.4	-86.2	6.2	0	0	0	116	S7	S7-N9 VanDerWaalsContact C-N 3.32Å; S7-N9 PolarHBondContact O-N 3.37Å
10	S	36.8	Very low	33.9	Very low	100 Å²	100	151.6 Å²	151.6	70%	0.699	76%	0.755	S	S	*	*	S	Bend	trans	-111.2	6.3	179.5	-66	0	0	0	0	115.4
11	L	35.4	Very low	33.8	Very low	147 Å²	147	151.1 Å²	151.1	77%	0.77	76%	0.755	S	S	*	*	S	Bend	trans	-97.7	-7.4	179.8	-137.3	86.8	0	0	0	114.8
12	V	39.2	Very low	33.7	Very low	117 Å²	117	148.1 Å²	148.1	71%	0.709	74%	0.737	S	S	*	*	S	Bend	trans	-89.3	-17.3	178.9	179.9	0	0	0	0	112.2
13	L	37.3	Very low	33.9	Very low	146 Å²	146	146.7 Å²	146.7	76%	0.764	74%	0.736	S	S	*	*	S	Bend	trans	-90.3	-3.7	-176.8	-106	133.6	0	0	0	114.9
14	F	32.8	Very low	34	Very low	176 Å²	176	144.7 Å²	144.7	77%	0.772	74%	0.735	S	S	*	*	S	Bend	trans	-104.4	-13.2	179.6	-126.6	-90.9	0	0	0	114.4
15	L	33.5	Very low	33.9	Very low	140 Å²	140	149.2 Å²	149.2	73%	0.733	74%	0.743	S	S	*	*	S	Bend	trans	-95.1	-2.8	176.1	-76.8	168.5	0	0	0	114.4
16	V	35.7	Very low	33.7	Very low	95 Å²	95	147.6 Å²	147.6	58%	0.576	74%	0.737	S	S	*	*	S	Bend	trans	-96.2	-6.7	175.3	-178	0	0	0	0	112.1
17	R	32.5	Very low	33.7	Very low	208 Å²	208	143.4 Å²	143.4	79%	0.785	73%	0.732	S	S	*	*	S	Bend	trans	-99.9	-7.3	-175.2	-154.1	162.8	-176.9	168.5	-0.3	115
18	E	32	Very low	33.8	Very low	166 Å²	166	146.3 Å²	146.3	78%	0.776	74%	0.739	S	S	*	*	S	Bend	trans	-104.7	-10.2	173.6	-86.2	-171.2	154.5	0	0	114.7
19	S	31.5	Very low	33.6	Very low	69 Å²	69	141.3 Å²	141.3	48%	0.483	74%	0.735	S	S	.	*	S	Bend	trans	-89.5	-3.6	173.9	55	0	0	0	0	114.5
20	H	32.8	Very low	33	Very low	142 Å²	142	139.5 Å²	139.5	66%	0.657	74%	0.74	S	S	*	*	S	Bend	trans	-99	-13.3	-179.2	-113	-74.3	0	0	0	114.7
21	N	31.2	Very low	32.5	Very low	141 Å²	141	140.7 Å²	140.7	75%	0.754	75%	0.748	S	S	*	*	S	Bend	trans	-101.5	8.1	178.6	-86.3	-1.6	0	0	0	114.2
22	M	30.3	Very low	32.2	Very low	143 Å²	143	140.7 Å²	140.7	70%	0.704	75%	0.754	S	S	*	*	S	Bend	trans	-124.1	21.6	177.4	-136.1	-170.6	87.6	0	0	113.7
23	I	32.7	Very low	31.7	Very low	135 Å²	135	140.2 Å²	140.2	69%	0.692	76%	0.756	S	S	*	*	S	Bend	trans	-118.9	-11.8	171.5	-62.4	177.1	0	0	0	111.6
24	V	33.8	Very low	31.4	Very low	125 Å²	125	142.2 Å²	142.2	76%	0.758	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-11.3	177.5	-177	0	0	0	0	112.7
25	E	29.6	Very low	31.5	Very low	175 Å²	175	144 Å²	144	82%	0.818	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.3	14.6	-178.5	-105.7	-174.8	168.7	0	0	115.2
26	R	28.2	Very low	31.9	Very low	218 Å²	218	145.2 Å²	145.2	82%	0.823	77%	0.771	S	S	*	*	S	Bend	trans	-125.8	26.2	174	-95.7	-172.3	-178.9	179.1	1.7	114.8
27	A	29.5	Very low	32.5	Very low	99 Å²	99	142.7 Å²	142.7	82%	0.818	76%	0.759	S	S	*	*			trans	-101.9	17.6	163.9	0	0	0	0	0	112.6
28	L	36.6	Very low	34	Very low	152 Å²	152	143.6 Å²	143.6	80%	0.796	76%	0.763	S	S	*	*	S	Bend	trans	-99.4	125.6	159.6	-103.5	118.8	0	0	0	108
29	V	33.8	Very low	36	Very low	139 Å²	139	137 Å²	137	84%	0.842	73%	0.734	S	S	*	*	S	Bend	trans	82	85.5	174.1	-163.5	0	0	0	0	115.5
30	A	27.6	Very low	38.1	Very low	97 Å²	97	137.3 Å²	137.3	80%	0.802	74%	0.735	S	S	*	*				158	93.5	127.9	0	0	0	0	0	111.7
31	S	26.3	Very low	40	Very low	124 Å²	124	138 Å²	138	87%	0.867	74%	0.743	S	S	*	*			trans	-168.8	97.7	136.5	46	0	0	0	0	108.6
32	T	29.9	Very low	41.8	Very low	148 Å²	148	132.2 Å²	132.2	91%	0.908	72%	0.716	S	S	*	*			trans	-79.6	105.3	164.6	40.1	0	0	0	0	108.5
33	S	29.1	Very low	44.2	Very low	106 Å²	106	129 Å²	129	74%	0.741	70%	0.7	S	S	*	*	S	Bend	trans	-178.6	116.4	149.1	177.3	0	0	0	0	108.6
34	E	31.2	Very low	46.6	Very low	189 Å²	189	124 Å²	124	88%	0.883	67%	0.673	S	S	*	*			trans	58.4	85.2	171.3	-67	178.8	172	0	0	118.1	E36	E34-E36 PolarHBondContact O-N 3.12Å
35	K	33.2	Very low	48.9	Very low	214 Å²	214	120.3 Å²	120.3	93%	0.93	65%	0.652	S	S	*	*			trans	-75.8	94	168.2	-72.5	179.9	176.8	178.7	0	110.8	A37	K35-A37 PolarHBondContact O-N 3.49Å
36	E	42.4	Very low	51.4	Low	165 Å²	165	112 Å²	112	77%	0.771	61%	0.613	S	S	*	*			trans	-66.1	120.6	141.2	-82.6	-177.8	157.2	0	0	107.1	E34 R38	E34-E36 PolarHBondContact O-N 3.12Å; E36-R38 VanDerWaalsContact C-N 3.3Å; E36-R38 PolarHBondContact O-N 3.44Å
37	A	47.8	Very low	53.8	Low	41 Å²	41	103.4 Å²	103.4	34%	0.339	59%	0.592	S	S	.	*			trans	-64.1	89.8	175.2	0	0	0	0	0	109.4	K35 C39	K35-A37 PolarHBondContact O-N 3.49Å; A37-C39 PolarHBondContact O-N 3.18Å
38	R	65.1	Low	56.2	Low	228 Å²	228	107.2 Å²	107.2	86%	0.86	60%	0.599	S	S	*	*			trans	-71.2	96.9	175.2	-74.3	-174.2	-177.9	172.8	2.8	109.3	E36	E36-R38 VanDerWaalsContact C-N 3.3Å; E36-R38 PolarHBondContact O-N 3.44Å
39	C	73.5	Confident	58.1	Low	26 Å²	26	103.1 Å²	103.1	18%	0.176	58%	0.576	C	S	.	*	P	Polyproline II helix	trans	-66.8	150.5	170.4	-63.4	0	0	0	0	111.1	A37 Q43 P45 C52	A37-C39 PolarHBondContact O-N 3.18Å; C39-Q43 HydrophobicContact CB-CB 4.02Å; C39-Q43 WeakPolarHBondContact CB-O 3.29Å; C39-P45 VanDerWaalsContact SG-CA 3.59Å; C39-P45 VanDerWaalsContact SG-N 3.36Å; C39-C52 WeakPolarHBondContact CA-SG 3.4Å; C39-C52 HydrophobicContact CB-CB 3.71Å; C39-C52 WeakPolarHBondContact CB-SG 3.26Å; C39-C52 WeakPolarHBondContact SG-CB 3.25Å; C39-C52 CovalentContact SG-SG 2.03Å; C39-C52 PolarHBondContact SG-SG 3.24Å
40	P	76.4	Confident	60.2	Low	77 Å²	77	102 Å²	102	50%	0.5	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-63	155.2	173.1	27.5	-33.7	0	0	0	111	G42 Q43	P40-G42 PolarHBondContact O-N 3.3Å; P40-Q43 HydrophobicContact CG-CB 4.25Å; P40-Q43 HydrophobicContact CG-CG 4.12Å; P40-Q43 VanDerWaalsContact CG-OE1 3.32Å; P40-Q43 WeakPolarHBondContact O-CB 3.47Å; P40-Q43 PolarHBondContact O-N 3.37Å
41	L	71.3	Confident	62.8	Low	155 Å²	155	101.3 Å²	101.3	81%	0.812	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52	130.5	179.8	-74.7	166.1	0	0	0	111.5
42	G	68.8	Low	65.4	Low	20 Å²	20	97 Å²	97	21%	0.206	52%	0.524	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.7	0.9	-173.9	0	0	0	0	0	114.9	P40 Q55 P391	P40-G42 PolarHBondContact O-N 3.3Å; G42-Q55 PolarHBondContact O-N 2.99Å; G42-P391 WeakPolarHBondContact CA-O 3.48Å; G42-P391 PolarHBondContact N-O 2.82Å; G42-P391 VanDerWaalsContact N-O 3.08Å
43	Q	80.9	Confident	67.7	Low	75 Å²	75	90.6 Å²	90.6	35%	0.35	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	147.4	173.5	-59.5	-175.7	1.3	0	0	111.7	C39 P40 C52 L53	C39-Q43 HydrophobicContact CB-CB 4.02Å; C39-Q43 WeakPolarHBondContact CB-O 3.29Å; P40-Q43 HydrophobicContact CG-CB 4.25Å; P40-Q43 HydrophobicContact CG-CG 4.12Å; P40-Q43 VanDerWaalsContact CG-OE1 3.32Å; P40-Q43 WeakPolarHBondContact O-CB 3.47Å; P40-Q43 PolarHBondContact O-N 3.37Å; Q43-C52 HydrophobicContact CB-CB 4.02Å; Q43-L53 CarbonylContact C-O 3.45Å; Q43-L53 WeakPolarHBondContact CA-O 3.42Å; Q43-L53 WeakPolarHBondContact CB-O 3.39Å
44	F	82.7	Confident	69.9	Low	31 Å²	31	87.4 Å²	87.4	14%	0.136	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	141.9	-176.5	-63.2	-84.7	0	0	0	110.5	C52 L53 Q55 Q58 V393 R394	F44-C52 CarbonylContact O-C 3.1Å; F44-C52 WeakPolarHBondContact O-CA 3.24Å; F44-L53 PolarHBondContact N-O 3.42Å; F44-L53 PolarHBondContact O-N 3.03Å; F44-Q55 HydrophobicContact CD2-CB 4.32Å; F44-Q55 HydrophobicContact CE2-CB 3.85Å; F44-Q55 HydrophobicContact CE2-CG 3.96Å; F44-Q58 HydrophobicContact CB-CG 4.19Å; F44-Q58 HydrophobicContact CD2-CG 4.23Å; F44-Q58 HydrophobicContact CG-CG 4.48Å; F44-V393 VanDerWaalsContact CE2-O 3.24Å; F44-V393 WeakPolarHBondContact CE2-O 3.36Å; F44-V393 WeakPolarHBondContact CZ-O 3.18Å; F44-R394 HydrophobicContact CB-CG 4.44Å; F44-R394 HydrophobicContact CD1-CB 3.85Å; F44-R394 HydrophobicContact CD1-CG 3.93Å; F44-R394 HydrophobicContact CD2-CG 4.39Å; F44-R394 HydrophobicContact CE1-CB 3.81Å; F44-R394 HydrophobicContact CE1-CG 4.38Å; F44-R394 HydrophobicContact CG-CB 4.27Å; F44-R394 HydrophobicContact CG-CG 3.96Å; F44-R394 VanDerWaalsContact CZ-CA 3.41Å; F44-R394 HydrophobicContact CZ-CB 4.21Å
45	P	83.8	Confident	72.2	Confident	48 Å²	48	78.9 Å²	78.9	31%	0.312	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	144.9	-179.1	28.3	-33.7	0	0	0	111.5	C39 G47 Q51	C39-P45 VanDerWaalsContact SG-CA 3.59Å; C39-P45 VanDerWaalsContact SG-N 3.36Å; P45-G47 PolarHBondContact O-N 2.91Å; P45-Q51 WeakPolarHBondContact CA-O 3.48Å
46	C	82.4	Confident	73.7	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	38%	0.382	C	S	.	.			trans	-72.6	63.5	171.2	-80.6	0	0	0	0	111.9	N48 M49 Q51 L53 C65 N67	C46-N48 PolarHBondContact O-N 3.34Å; C46-M49 HydrophobicContact CB-CB 4.1Å; C46-M49 HydrophobicContact CB-SD 4.42Å; C46-M49 WeakPolarHBondContact O-CB 3.47Å; C46-M49 WeakPolarHBondContact O-CG 3.41Å; C46-M49 PolarHBondContact O-N 3.15Å; C46-Q51 HydrophobicContact CB-CB 4.4Å; C46-Q51 PolarHBondContact N-O 2.94Å; C46-L53 VanDerWaalsContact SG-CD1 3.59Å; C46-L53 VanDerWaalsContact SG-CG 3.59Å; C46-C65 WeakPolarHBondContact CA-SG 3.3Å; C46-C65 HydrophobicContact CB-CB 3.72Å; C46-C65 WeakPolarHBondContact CB-SG 3.16Å; C46-C65 WeakPolarHBondContact SG-CB 3.27Å; C46-C65 CovalentContact SG-SG 2.03Å; C46-C65 PolarHBondContact SG-SG 3.26Å; C46-N67 PolarHBondContact O-ND2 3.48Å
47	G	78.4	Confident	75.2	Confident	37 Å²	37	63.4 Å²	63.4	38%	0.381	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	-126.2	-172.2	0	0	0	0	0	111.3	P45 M49	P45-G47 PolarHBondContact O-N 2.91Å; G47-M49 PolarHBondContact O-N 3.5Å
48	N	78.8	Confident	76.6	Confident	179 Å²	179	61.5 Å²	61.5	96%	0.957	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	9.8	-179.8	-71.6	-3.1	0	0	0	114.1	C46	C46-N48 PolarHBondContact O-N 3.34Å
49	M	76.8	Confident	77.1	Confident	67 Å²	67	51 Å²	51	33%	0.33	30%	0.301	S	S	.	.	S	Bend	trans	-90.1	152	-179.4	-57.9	-178.1	70	0	0	111.2	C46 G47 Q51 P66 N67	C46-M49 HydrophobicContact CB-CB 4.1Å; C46-M49 HydrophobicContact CB-SD 4.42Å; C46-M49 WeakPolarHBondContact O-CB 3.47Å; C46-M49 WeakPolarHBondContact O-CG 3.41Å; C46-M49 PolarHBondContact O-N 3.15Å; G47-M49 PolarHBondContact O-N 3.5Å; M49-Q51 PolarHBondContact O-N 3.15Å; M49-P66 HydrophobicContact CE-CB 4.01Å; M49-P66 HydrophobicContact CE-CG 3.78Å; M49-P66 HydrophobicContact SD-CB 4.24Å; M49-P66 HydrophobicContact SD-CG 4.24Å; M49-N67 HydrophobicContact SD-CB 4.26Å
50	S	76.9	Confident	77	Confident	115 Å²	115	52.3 Å²	52.3	80%	0.804	31%	0.307	S	S	*	.	S	Bend	trans	-74.2	-0.8	174.6	61.4	0	0	0	0	114
51	Q	82.7	Confident	76.8	Confident	82 Å²	82	51.9 Å²	51.9	38%	0.383	32%	0.316	S	S	.	.			trans	-82.3	131.7	178.1	-174.2	174.7	12	0	0	109.8	P45 C46 M49 P66	P45-Q51 WeakPolarHBondContact CA-O 3.48Å; C46-Q51 HydrophobicContact CB-CB 4.4Å; C46-Q51 PolarHBondContact N-O 2.94Å; M49-Q51 PolarHBondContact O-N 3.15Å; Q51-P66 VanDerWaalsContact OE1-CD 3.28Å
52	C	82.2	Confident	77.1	Confident	34 Å²	34	50.2 Å²	50.2	23%	0.23	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	133.1	176.5	-61.6	0	0	0	0	109.3	C39 Q43 F44	C39-C52 WeakPolarHBondContact CA-SG 3.4Å; C39-C52 HydrophobicContact CB-CB 3.71Å; C39-C52 WeakPolarHBondContact CB-SG 3.26Å; C39-C52 WeakPolarHBondContact SG-CB 3.25Å; C39-C52 CovalentContact SG-SG 2.03Å; C39-C52 PolarHBondContact SG-SG 3.24Å; Q43-C52 HydrophobicContact CB-CB 4.02Å; F44-C52 CarbonylContact O-C 3.1Å; F44-C52 WeakPolarHBondContact O-CA 3.24Å
53	L	77.6	Confident	77.7	Confident	13 Å²	13	56.8 Å²	56.8	7%	0.068	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	142.8	172.9	-70.6	-177.4	0	0	0	110.7	Q43 F44 C46 L57 D64 C65 D70	Q43-L53 CarbonylContact C-O 3.45Å; Q43-L53 WeakPolarHBondContact CA-O 3.42Å; Q43-L53 WeakPolarHBondContact CB-O 3.39Å; F44-L53 PolarHBondContact N-O 3.42Å; F44-L53 PolarHBondContact O-N 3.03Å; C46-L53 VanDerWaalsContact SG-CD1 3.59Å; C46-L53 VanDerWaalsContact SG-CG 3.59Å; L53-L57 HydrophobicContact CB-CB 4.44Å; L53-L57 HydrophobicContact CD1-CB 4.45Å; L53-L57 HydrophobicContact CD2-CD1 4.29Å; L53-D64 HydrophobicContact CD1-CB 3.78Å; L53-C65 HydrophobicContact CD1-CB 4.35Å; L53-C65 WeakPolarHBondContact CD1-SG 3.31Å; L53-D70 HydrophobicContact CD1-CB 4.03Å
54	P	75.7	Confident	77.8	Confident	39 Å²	39	55.5 Å²	55.5	25%	0.253	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54	149.7	168.3	-23.2	33.3	0	0	0	112.8	A56 L57	P54-A56 PolarHBondContact O-N 2.9Å; P54-L57 PolarHBondContact O-N 3.39Å
55	Q	79	Confident	77.9	Confident	10 Å²	10	54.2 Å²	54.2	5%	0.047	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-47.2	-35.4	174.8	-171	-178.4	23.3	0	0	113.6	G42 F44 L57 Q58 A390 V393	G42-Q55 PolarHBondContact O-N 2.99Å; F44-Q55 HydrophobicContact CD2-CB 4.32Å; F44-Q55 HydrophobicContact CE2-CB 3.85Å; F44-Q55 HydrophobicContact CE2-CG 3.96Å; Q55-L57 VanDerWaalsContact C-N 3.32Å; Q55-L57 PolarHBondContact O-N 3.37Å; Q55-Q58 WeakPolarHBondContact O-CB 3.35Å; Q55-Q58 PolarHBondContact O-N 3.49Å; Q55-A390 PolarHBondContact NE2-O 2.92Å; Q55-V393 VanDerWaalsContact CD-O 3.24Å; Q55-V393 VanDerWaalsContact CG-O 3.32Å; Q55-V393 WeakPolarHBondContact CG-O 3.46Å; Q55-V393 PolarHBondContact NE2-O 3.08Å
56	A	65.1	Low	77.8	Confident	13 Å²	13	56.5 Å²	56.5	11%	0.107	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-71.9	-23.2	-177	0	0	0	0	0	114.8	P54 Q58 F406	P54-A56 PolarHBondContact O-N 2.9Å; A56-Q58 VanDerWaalsContact C-N 3.32Å; A56-F406 HydrophobicContact CB-CB 3.54Å; A56-F406 HydrophobicContact CB-CD1 3.51Å; A56-F406 HydrophobicContact CB-CD2 3.88Å; A56-F406 HydrophobicContact CB-CE1 4.08Å; A56-F406 HydrophobicContact CB-CE2 4.36Å; A56-F406 HydrophobicContact CB-CG 3.39Å; A56-F406 HydrophobicContact CB-CZ 4.46Å
57	L	73.5	Confident	77.8	Confident	41 Å²	41	59.4 Å²	59.4	22%	0.215	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-92.7	3.4	177.5	-58	-174.5	0	0	0	111.9	L53 P54 Q55 D64	L53-L57 HydrophobicContact CB-CB 4.44Å; L53-L57 HydrophobicContact CD1-CB 4.45Å; L53-L57 HydrophobicContact CD2-CD1 4.29Å; P54-L57 PolarHBondContact O-N 3.39Å; Q55-L57 VanDerWaalsContact C-N 3.32Å; Q55-L57 PolarHBondContact O-N 3.37Å; L57-D64 HydrophobicContact CB-CB 4.41Å
58	Q	76.7	Confident	77.9	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.005	33%	0.331	C	S	.	.	S	Bend	trans	-89	133.3	170.1	-62.8	-70.9	-52.5	0	0	108.4	F44 Q55 A56 N60 R394	F44-Q58 HydrophobicContact CB-CG 4.19Å; F44-Q58 HydrophobicContact CD2-CG 4.23Å; F44-Q58 HydrophobicContact CG-CG 4.48Å; Q55-Q58 WeakPolarHBondContact O-CB 3.35Å; Q55-Q58 PolarHBondContact O-N 3.49Å; A56-Q58 VanDerWaalsContact C-N 3.32Å; Q58-N60 PolarHBondContact O-N 3.17Å; Q58-R394 HydrophobicContact CB-CG 4.4Å; Q58-R394 HydrophobicContact CG-CG 4.24Å
59	C	76.6	Confident	78	Confident	7 Å²	7	49.5 Å²	49.5	5%	0.047	29%	0.287	C	S	.	.	S	Bend	trans	56.6	35.8	173.9	-58.7	0	0	0	0	113.8	D70 E71 C74 K397	C59-D70 PolarHBondContact N-O 3.22Å; C59-E71 VanDerWaalsContact C-OE1 3.25Å; C59-E71 WeakPolarHBondContact CA-OE1 3.47Å; C59-E71 PolarHBondContact N-OE1 3.09Å; C59-C74 WeakPolarHBondContact CA-SG 3.33Å; C59-C74 HydrophobicContact CB-CB 3.47Å; C59-C74 VanDerWaalsContact CB-CB 3.47Å; C59-C74 WeakPolarHBondContact CB-SG 3.41Å; C59-C74 WeakPolarHBondContact SG-CA 3.32Å; C59-C74 WeakPolarHBondContact SG-CB 3.42Å; C59-C74 CovalentContact SG-SG 2.02Å; C59-C74 PolarHBondContact SG-SG 3.05Å; C59-K397 PolarHBondContact O-NZ 3.28Å
60	N	71.7	Confident	78.2	Confident	55 Å²	55	46.3 Å²	46.3	29%	0.294	27%	0.271	S	S	.	.	S	Bend	trans	-91.9	-1.3	179	68.7	1.5	0	0	0	112.6	Q58 H62 D64 E71	Q58-N60 PolarHBondContact O-N 3.17Å; N60-H62 VanDerWaalsContact C-N 3.32Å; N60-H62 WeakPolarHBondContact OD1-CA 3.31Å; N60-H62 WeakPolarHBondContact OD1-CB 3.37Å; N60-H62 PolarHBondContact OD1-N 2.91Å; N60-H62 PolarHBondContact OD1-O 3.46Å; N60-H62 VanDerWaalsContact OD1-O 3.09Å; N60-D64 PolarHBondContact ND2-OD2 3.34Å; N60-E71 PolarHBondContact N-OE1 3.34Å; N60-E71 PolarHBondContact OD1-OE1 3.03Å; N60-E71 VanDerWaalsContact OD1-OE1 3.08Å
61	G	71.8	Confident	78.4	Confident	68 Å²	68	43 Å²	43	70%	0.701	24%	0.243	S	C	*	.	S	Bend	trans	84.2	5.1	-177.2	0	0	0	0	0	113.8	E71	G61-E71 VanDerWaalsContact CA-OE2 3.23Å; G61-E71 WeakPolarHBondContact CA-OE2 3.38Å; G61-E71 VanDerWaalsContact N-CD 3.25Å; G61-E71 PolarHBondContact N-OE1 3.42Å; G61-E71 PolarHBondContact N-OE2 3.13Å
62	H	76.8	Confident	78.2	Confident	119 Å²	119	46.6 Å²	46.6	55%	0.551	25%	0.253	S	S	*	.	S	Bend	trans	-119.3	146.5	177.2	-168.5	-88.3	0	0	0	109.8	N60 D64 E71	N60-H62 VanDerWaalsContact C-N 3.32Å; N60-H62 WeakPolarHBondContact OD1-CA 3.31Å; N60-H62 WeakPolarHBondContact OD1-CB 3.37Å; N60-H62 PolarHBondContact OD1-N 2.91Å; N60-H62 PolarHBondContact OD1-O 3.46Å; N60-H62 VanDerWaalsContact OD1-O 3.09Å; H62-D64 IonicContact CE1-OD1 3.6Å; H62-D64 IonicContact CG-OD1 2.86Å; H62-D64 IonicContact ND1-OD1 3.86Å; H62-D64 PolarHBondContact ND1-OD1 3.44Å; H62-D64 PolarHBondContact O-N 3.47Å; H62-E71 WeakPolarHBondContact O-CG 3.27Å
63	K	82.3	Confident	77.6	Confident	159 Å²	159	55.4 Å²	55.4	69%	0.691	28%	0.282	S	S	*	.			trans	-91.3	91.1	178	-65.7	-179.6	-177.6	178.8	0	109.3	E71	K63-E71 HydrophobicContact CG-CG 4.49Å
64	D	82.6	Confident	77.4	Confident	48 Å²	48	56.4 Å²	56.4	26%	0.257	29%	0.289	S	S	.	.			trans	-89	-25.6	176.7	-62.3	-40.1	0	0	0	111.8	L53 L57 N60 H62 D70	L53-D64 HydrophobicContact CD1-CB 3.78Å; L57-D64 HydrophobicContact CB-CB 4.41Å; N60-D64 PolarHBondContact ND2-OD2 3.34Å; H62-D64 IonicContact CE1-OD1 3.6Å; H62-D64 IonicContact CG-OD1 2.86Å; H62-D64 IonicContact ND1-OD1 3.86Å; H62-D64 PolarHBondContact ND1-OD1 3.44Å; H62-D64 PolarHBondContact O-N 3.47Å; D64-D70 WeakPolarHBondContact CA-OD2 3.13Å; D64-D70 WeakPolarHBondContact CB-OD2 3.21Å; D64-D70 PolarHBondContact N-OD2 2.78Å
65	C	83.8	Confident	76.8	Confident	4 Å²	4	56.4 Å²	56.4	3%	0.027	30%	0.297	C	S	.	.	S	Bend	trans	-80.5	143.1	167.7	-67.8	0	0	0	0	111.6	C46 L53 N67 G68 D70	C46-C65 WeakPolarHBondContact CA-SG 3.3Å; C46-C65 HydrophobicContact CB-CB 3.72Å; C46-C65 WeakPolarHBondContact CB-SG 3.16Å; C46-C65 WeakPolarHBondContact SG-CB 3.27Å; C46-C65 CovalentContact SG-SG 2.03Å; C46-C65 PolarHBondContact SG-SG 3.26Å; L53-C65 HydrophobicContact CD1-CB 4.35Å; L53-C65 WeakPolarHBondContact CD1-SG 3.31Å; C65-N67 WeakPolarHBondContact CB-OD1 3.41Å; C65-N67 PolarHBondContact O-N 3.47Å; C65-N67 VanDerWaalsContact O-N 3.12Å; C65-G68 PolarHBondContact O-N 3.34Å; C65-D70 HydrophobicContact CB-CB 4.3Å; C65-D70 VanDerWaalsContact CB-OD1 3.23Å; C65-D70 WeakPolarHBondContact CB-OD1 3.3Å; C65-D70 PolarHBondContact N-OD1 2.92Å; C65-D70 PolarHBondContact N-OD2 2.82Å; C65-D70 VanDerWaalsContact N-OD2 3.17Å
66	P	82.4	Confident	76.2	Confident	96 Å²	96	57.6 Å²	57.6	62%	0.623	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-29.4	176.1	-24.7	34.2	0	0	0	114	M49 Q51	M49-P66 HydrophobicContact CE-CB 4.01Å; M49-P66 HydrophobicContact CE-CG 3.78Å; M49-P66 HydrophobicContact SD-CB 4.24Å; M49-P66 HydrophobicContact SD-CG 4.24Å; Q51-P66 VanDerWaalsContact OE1-CD 3.28Å
67	N	82.6	Confident	75.7	Confident	61 Å²	61	62.4 Å²	62.4	33%	0.326	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-1	176.4	60.2	-2.6	0	0	0	113.5	C46 M49 C65 A69	C46-N67 PolarHBondContact O-ND2 3.48Å; M49-N67 HydrophobicContact SD-CB 4.26Å; C65-N67 WeakPolarHBondContact CB-OD1 3.41Å; C65-N67 PolarHBondContact O-N 3.47Å; C65-N67 VanDerWaalsContact O-N 3.12Å; N67-A69 PolarHBondContact O-N 3.03Å; N67-A69 WeakPolarHBondContact OD1-CB 3.34Å; N67-A69 PolarHBondContact OD1-N 3.05Å; N67-A69 VanDerWaalsContact OD1-N 3.15Å
68	G	79.7	Confident	74.6	Confident	4 Å²	4	63.5 Å²	63.5	4%	0.041	33%	0.333	C	S	.	.			trans	64.1	19	-174.6	0	0	0	0	0	114.6	C65 D70 E71 W72	C65-G68 PolarHBondContact O-N 3.34Å; G68-D70 VanDerWaalsContact CA-OD1 3.24Å; G68-D70 WeakPolarHBondContact CA-OD1 3.48Å; G68-D70 PolarHBondContact O-N 3.42Å; G68-E71 PolarHBondContact O-N 3.4Å; G68-W72 PolarHBondContact O-NE1 2.58Å
69	A	81	Confident	73.2	Confident	3 Å²	3	64.3 Å²	64.3	3%	0.025	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-66.9	-24	-176.7	0	0	0	0	0	113.5	N67 E71 W72 R394	N67-A69 PolarHBondContact O-N 3.03Å; N67-A69 WeakPolarHBondContact OD1-CB 3.34Å; N67-A69 PolarHBondContact OD1-N 3.05Å; N67-A69 VanDerWaalsContact OD1-N 3.15Å; A69-E71 PolarHBondContact O-N 3.34Å; A69-W72 HydrophobicContact CB-CE3 4.28Å; A69-W72 WeakPolarHBondContact O-CB 3.23Å; A69-W72 PolarHBondContact O-N 3.01Å; A69-R394 PolarHBondContact O-NH2 3.27Å
70	D	80.8	Confident	71.8	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-57.9	-28.6	171.9	51.2	-36.4	0	0	0	113.9	L53 C59 D64 C65 G68	L53-D70 HydrophobicContact CD1-CB 4.03Å; C59-D70 PolarHBondContact N-O 3.22Å; D64-D70 WeakPolarHBondContact CA-OD2 3.13Å; D64-D70 WeakPolarHBondContact CB-OD2 3.21Å; D64-D70 PolarHBondContact N-OD2 2.78Å; C65-D70 HydrophobicContact CB-CB 4.3Å; C65-D70 VanDerWaalsContact CB-OD1 3.23Å; C65-D70 WeakPolarHBondContact CB-OD1 3.3Å; C65-D70 PolarHBondContact N-OD1 2.92Å; C65-D70 PolarHBondContact N-OD2 2.82Å; C65-D70 VanDerWaalsContact N-OD2 3.17Å; G68-D70 VanDerWaalsContact CA-OD1 3.24Å; G68-D70 WeakPolarHBondContact CA-OD1 3.48Å; G68-D70 PolarHBondContact O-N 3.42Å
71	E	82.6	Confident	70.4	Confident	46 Å²	46	68.5 Å²	68.5	22%	0.215	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-98.2	7.4	179.3	-66.1	-59.8	128.3	0	0	113.2	C59 N60 G61 H62 K63 G68 A69	C59-E71 VanDerWaalsContact C-OE1 3.25Å; C59-E71 WeakPolarHBondContact CA-OE1 3.47Å; C59-E71 PolarHBondContact N-OE1 3.09Å; N60-E71 PolarHBondContact N-OE1 3.34Å; N60-E71 PolarHBondContact OD1-OE1 3.03Å; N60-E71 VanDerWaalsContact OD1-OE1 3.08Å; G61-E71 VanDerWaalsContact CA-OE2 3.23Å; G61-E71 WeakPolarHBondContact CA-OE2 3.38Å; G61-E71 VanDerWaalsContact N-CD 3.25Å; G61-E71 PolarHBondContact N-OE1 3.42Å; G61-E71 PolarHBondContact N-OE2 3.13Å; H62-E71 WeakPolarHBondContact O-CG 3.27Å; K63-E71 HydrophobicContact CG-CG 4.49Å; G68-E71 PolarHBondContact O-N 3.4Å; A69-E71 PolarHBondContact O-N 3.34Å
72	W	77.3	Confident	69.1	Low	157 Å²	157	70.8 Å²	70.8	60%	0.595	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	133.8	179.1	-65.4	-1.3	0	0	0	111.9	G68 A69 R394	G68-W72 PolarHBondContact O-NE1 2.58Å; A69-W72 HydrophobicContact CB-CE3 4.28Å; A69-W72 WeakPolarHBondContact O-CB 3.23Å; A69-W72 PolarHBondContact O-N 3.01Å; W72-R394 PolarHBondContact O-NH1 3.42Å; W72-R394 VanDerWaalsContact O-NH1 3.08Å
73	R	71.1	Confident	67.7	Low	219 Å²	219	67.1 Å²	67.1	83%	0.826	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	44.9	179.6	-55.3	-179.6	-174.2	171.8	0.3	112.8	H378	R73-H378 PolarHBondContact O-CE1 3.09Å; R73-H378 PolarHBondContact O-NE2 3.42Å
74	C	71.8	Confident	66	Low	34 Å²	34	62.5 Å²	62.5	23%	0.23	33%	0.331	C	S	.	.			trans	-84.5	-12.2	176.4	-66.2	0	0	0	0	114.2	C59	C59-C74 WeakPolarHBondContact CA-SG 3.33Å; C59-C74 HydrophobicContact CB-CB 3.47Å; C59-C74 VanDerWaalsContact CB-CB 3.47Å; C59-C74 WeakPolarHBondContact CB-SG 3.41Å; C59-C74 WeakPolarHBondContact SG-CA 3.32Å; C59-C74 WeakPolarHBondContact SG-CB 3.42Å; C59-C74 CovalentContact SG-SG 2.02Å; C59-C74 PolarHBondContact SG-SG 3.05Å
75	G	62.9	Low	63.9	Low	40 Å²	40	61 Å²	61	41%	0.412	33%	0.327	S	S	.	.	S	Bend	trans	-93.8	143.4	171.6	0	0	0	0	0	110.5	N77	G75-N77 PolarHBondContact O-N 3.2Å
76	D	66.6	Low	61.8	Low	34 Å²	34	68.1 Å²	68.1	18%	0.182	36%	0.36	C	S	.	.			trans	-83	46.7	177	-166.6	16.1	0	0	0	111.3	I78 K330 S354	D76-I78 PolarHBondContact O-N 2.69Å; D76-I78 VanDerWaalsContact O-N 3.08Å; D76-K330 WeakPolarHBondContact O-CE 3.46Å; D76-K330 PolarHBondContact O-NZ 3.28Å; D76-K330 WeakPolarHBondContact OD1-CD 3.44Å; D76-K330 WeakPolarHBondContact OD1-CE 3.4Å; D76-K330 IonicContact OD1-NZ 2.82Å; D76-K330 WeakPolarHBondContact OD2-CD 3.5Å; D76-S354 VanDerWaalsContact CG-CB 3.44Å; D76-S354 VanDerWaalsContact CG-OG 3.25Å; D76-S354 WeakPolarHBondContact OD1-CB 3.43Å; D76-S354 WeakPolarHBondContact OD2-CB 3.3Å; D76-S354 PolarHBondContact OD2-OG 2.91Å
77	N	54.5	Low	59.9	Low	115 Å²	115	65.8 Å²	65.8	62%	0.615	34%	0.344	S	S	*	.			trans	-82.1	22.8	-168.2	-68.7	-7.9	0	0	0	114.2	G75 G79 A81	G75-N77 PolarHBondContact O-N 3.2Å; N77-G79 PolarHBondContact O-N 3Å; N77-A81 HydrophobicContact CB-CB 4.27Å
78	I	51.9	Low	57.8	Low	63 Å²	63	69 Å²	69	32%	0.323	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	130	176.9	-56.5	170.2	0	0	0	107.6	D76 L80 K330	D76-I78 PolarHBondContact O-N 2.69Å; D76-I78 VanDerWaalsContact O-N 3.08Å; I78-L80 PolarHBondContact O-N 2.88Å; I78-K330 VanDerWaalsContact O-CE 3.31Å; I78-K330 WeakPolarHBondContact O-CE 3.41Å; I78-K330 PolarHBondContact O-NZ 3.05Å
79	G	47	Very low	55.7	Low	19 Å²	19	76.4 Å²	76.4	20%	0.196	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	99	-62.9	177.2	0	0	0	0	0	115	N77 F83	N77-G79 PolarHBondContact O-N 3Å; G79-F83 WeakPolarHBondContact O-CB 3.33Å; G79-F83 PolarHBondContact O-N 3Å; G79-F83 VanDerWaalsContact O-N 3.08Å
80	L	46.9	Very low	53.5	Low	100 Å²	100	83.1 Å²	83.1	52%	0.524	43%	0.429	S	S	.	.	H	α-helix	trans	-69.4	-42	-176.2	-168.7	71.9	0	0	0	112.8	I78 I84 W257	I78-L80 PolarHBondContact O-N 2.88Å; L80-I84 HydrophobicContact CD1-CD1 3.51Å; L80-I84 HydrophobicContact CD1-CG1 4.27Å; L80-I84 HydrophobicContact CG-CD1 3.9Å; L80-I84 VanDerWaalsContact O-CB 3.27Å; L80-I84 WeakPolarHBondContact O-CB 3.48Å; L80-I84 WeakPolarHBondContact O-CG1 3.44Å; L80-I84 PolarHBondContact O-N 2.98Å; L80-W257 HydrophobicContact CB-CH2 4.18Å; L80-W257 HydrophobicContact CD1-CH2 3.87Å; L80-W257 HydrophobicContact CD1-CZ2 3.89Å
81	A	42.7	Very low	51.2	Low	50 Å²	50	93.3 Å²	93.3	41%	0.413	47%	0.468	S	S	.	.	H	α-helix	trans	-77.6	-31.4	-177.3	0	0	0	0	0	113	N77 G85	N77-A81 HydrophobicContact CB-CB 4.27Å; A81-G85 WeakPolarHBondContact O-CA 3.38Å; A81-G85 PolarHBondContact O-N 3.35Å
82	D	43.3	Very low	48.9	Very low	115 Å²	115	95.8 Å²	95.8	62%	0.615	49%	0.488	S	S	*	.	H	α-helix	trans	-75.1	-39.2	175.9	-65.2	-34.9	0	0	0	110.9
83	F	48.3	Very low	46.9	Very low	43 Å²	43	95.1 Å²	95.1	19%	0.189	50%	0.501	C	S	.	.	H	α-helix	trans	-75.5	-42.5	179.8	-162.6	-94.9	0	0	0	113.1	G79 T87 W208 V231 F232 W257	G79-F83 WeakPolarHBondContact O-CB 3.33Å; G79-F83 PolarHBondContact O-N 3Å; G79-F83 VanDerWaalsContact O-N 3.08Å; F83-T87 PolarHBondContact O-OG1 3.48Å; F83-W208 AromaticContact CD1-CH2 3.76Å; F83-W208 HydrophobicContact CD1-CH2 3.76Å; F83-W208 AromaticContact CD1-CZ2 3.78Å; F83-W208 HydrophobicContact CD1-CZ2 3.78Å; F83-W208 AromaticContact CE1-CE2 3.84Å; F83-W208 AromaticContact CE1-CH2 3.54Å; F83-W208 HydrophobicContact CE1-CH2 3.54Å; F83-W208 AromaticContact CE1-CZ2 3.23Å; F83-W208 HydrophobicContact CE1-CZ2 3.23Å; F83-W208 HydrophobicContact CE1-CZ3 4.39Å; F83-W208 AromaticContact CZ-CZ2 3.88Å; F83-W208 HydrophobicContact CZ-CZ2 3.88Å; F83-V231 HydrophobicContact CE2-CG1 4.11Å; F83-V231 HydrophobicContact CZ-CG1 4Å; F83-F232 HydrophobicContact CD1-CD2 4.14Å; F83-F232 HydrophobicContact CE1-CB 3.94Å; F83-F232 AromaticContact CE1-CD2 3.41Å; F83-F232 HydrophobicContact CE1-CD2 3.41Å; F83-F232 VanDerWaalsContact CE1-CD2 3.41Å; F83-F232 HydrophobicContact CE1-CE2 4.23Å; F83-F232 AromaticContact CE1-CG 3.96Å; F83-F232 HydrophobicContact CE1-CG 3.96Å; F83-F232 HydrophobicContact CZ-CB 4.01Å; F83-F232 HydrophobicContact CZ-CD2 4.1Å; F83-F232 HydrophobicContact CZ-CG 4.48Å; F83-W257 HydrophobicContact CB-CZ3 4.26Å; F83-W257 HydrophobicContact CD1-CE3 4.41Å; F83-W257 HydrophobicContact CG-CE3 4.27Å; F83-W257 HydrophobicContact CG-CZ3 4.49Å
84	I	46.3	Very low	45.4	Very low	62 Å²	62	90.5 Å²	90.5	32%	0.318	49%	0.492	S	S	.	.	H	α-helix	trans	-81.8	-29.8	176.7	-61.4	-178.7	0	0	0	111.5	L80 E86 T87 L88	L80-I84 HydrophobicContact CD1-CD1 3.51Å; L80-I84 HydrophobicContact CD1-CG1 4.27Å; L80-I84 HydrophobicContact CG-CD1 3.9Å; L80-I84 VanDerWaalsContact O-CB 3.27Å; L80-I84 WeakPolarHBondContact O-CB 3.48Å; L80-I84 WeakPolarHBondContact O-CG1 3.44Å; L80-I84 PolarHBondContact O-N 2.98Å; I84-E86 PolarHBondContact O-N 3.37Å; I84-T87 CarbonylContact O-C 3.52Å; I84-T87 WeakPolarHBondContact O-CA 3.48Å; I84-T87 WeakPolarHBondContact O-CB 3.33Å; I84-T87 PolarHBondContact O-N 3.24Å; I84-L88 HydrophobicContact CG2-CD1 3.53Å; I84-L88 HydrophobicContact CG2-CG 4.03Å; I84-L88 PolarHBondContact O-N 3Å
85	G	39.1	Very low	43.7	Very low	17 Å²	17	93 Å²	93	18%	0.175	51%	0.51	C	S	.	.	H	α-helix	trans	-58	-47.3	179.7	0	0	0	0	0	112.5	A81 T87 L88 Q89	A81-G85 WeakPolarHBondContact O-CA 3.38Å; A81-G85 PolarHBondContact O-N 3.35Å; G85-T87 PolarHBondContact O-N 3.03Å; G85-L88 PolarHBondContact O-N 3.46Å; G85-Q89 WeakPolarHBondContact O-CB 3.43Å; G85-Q89 VanDerWaalsContact O-CG 3.28Å; G85-Q89 WeakPolarHBondContact O-CG 3.17Å; G85-Q89 PolarHBondContact O-N 2.76Å
86	E	39.3	Very low	42.8	Very low	153 Å²	153	95.8 Å²	95.8	72%	0.715	52%	0.523	S	S	*	.	H	α-helix	trans	-65.4	-27.1	173.7	-70.1	-167.8	159.8	0	0	112.7	I84	I84-E86 PolarHBondContact O-N 3.37Å
87	T	42.5	Very low	41.8	Very low	47 Å²	47	102.3 Å²	102.3	29%	0.288	55%	0.55	S	S	.	.	H	α-helix	trans	-80.3	-30.2	-177.3	-47.1	0	0	0	0	113	F83 I84 G85 W208	F83-T87 PolarHBondContact O-OG1 3.48Å; I84-T87 CarbonylContact O-C 3.52Å; I84-T87 WeakPolarHBondContact O-CA 3.48Å; I84-T87 WeakPolarHBondContact O-CB 3.33Å; I84-T87 PolarHBondContact O-N 3.24Å; G85-T87 PolarHBondContact O-N 3.03Å; T87-W208 HydrophobicContact CG2-CH2 3.6Å; T87-W208 HydrophobicContact CG2-CZ2 3.92Å; T87-W208 HydrophobicContact CG2-CZ3 3.98Å; T87-W208 WeakPolarHBondContact OG1-CH2 3.39Å; T87-W208 WeakPolarHBondContact OG1-CZ2 3.49Å
88	L	39	Very low	41.6	Very low	129 Å²	129	101.9 Å²	101.9	68%	0.675	55%	0.547	S	S	*	.	H	α-helix	trans	-100.7	-22.3	177.8	-72.5	172.9	0	0	0	113.6	I84 G85	I84-L88 HydrophobicContact CG2-CD1 3.53Å; I84-L88 HydrophobicContact CG2-CG 4.03Å; I84-L88 PolarHBondContact O-N 3Å; G85-L88 PolarHBondContact O-N 3.46Å
89	Q	35.7	Very low	42	Very low	159 Å²	159	105.6 Å²	105.6	74%	0.743	57%	0.568	S	S	*	*	H	α-helix	trans	-86.6	-6.4	-179.1	-72.2	179.8	-8.6	0	0	115.1	G85 R91	G85-Q89 WeakPolarHBondContact O-CB 3.43Å; G85-Q89 VanDerWaalsContact O-CG 3.28Å; G85-Q89 WeakPolarHBondContact O-CG 3.17Å; G85-Q89 PolarHBondContact O-N 2.76Å; Q89-R91 PolarHBondContact O-N 3.25Å
90	N	33.5	Very low	43.4	Very low	144 Å²	144	110.8 Å²	110.8	77%	0.77	59%	0.587	S	S	*	*			trans	-75.8	46.2	163.9	-80.9	-21.8	0	0	0	112.2	P92	N90-P92 WeakPolarHBondContact O-CD 3.41Å
91	R	33.2	Very low	45.2	Very low	213 Å²	213	107.9 Å²	107.9	80%	0.804	57%	0.574	S	S	*	*			trans	-85.9	106.5	150.6	-77.6	-171.1	-179.2	-170	0.6	106.3	Q89 T93	Q89-R91 PolarHBondContact O-N 3.25Å; R91-T93 PolarHBondContact O-N 3.18Å; R91-T93 VanDerWaalsContact O-N 3.09Å
92	P	32.9	Very low	47.2	Very low	99 Å²	99	110.9 Å²	110.9	64%	0.643	58%	0.578	S	S	*	*			trans	-67.5	114	154.9	35.3	-31.9	0	0	0	104.4	N90 I94	N90-P92 WeakPolarHBondContact O-CD 3.41Å; P92-I94 HydrophobicContact CB-CD1 3.94Å; P92-I94 HydrophobicContact CB-CG1 3.86Å; P92-I94 HydrophobicContact CG-CD1 3.89Å; P92-I94 HydrophobicContact CG-CG1 4.2Å; P92-I94 PolarHBondContact O-N 3.43Å
93	T	36.5	Very low	49.1	Very low	142 Å²	142	106 Å²	106	87%	0.871	55%	0.552	S	S	*	*			trans	-62.1	79.3	160	30.6	0	0	0	0	107.1	R91 S95	R91-T93 PolarHBondContact O-N 3.18Å; R91-T93 VanDerWaalsContact O-N 3.09Å; T93-S95 PolarHBondContact O-N 2.85Å
94	I	38.8	Very low	50.8	Low	123 Å²	123	113.2 Å²	113.2	63%	0.631	59%	0.586	S	S	*	*			trans	-87.4	105.1	169.1	-66.8	170.1	0	0	0	106.1	P92 S96	P92-I94 HydrophobicContact CB-CD1 3.94Å; P92-I94 HydrophobicContact CB-CG1 3.86Å; P92-I94 HydrophobicContact CG-CD1 3.89Å; P92-I94 HydrophobicContact CG-CG1 4.2Å; P92-I94 PolarHBondContact O-N 3.43Å; I94-S96 PolarHBondContact O-N 3.08Å; I94-S96 VanDerWaalsContact O-N 3.17Å
95	S	36.9	Very low	52.7	Low	86 Å²	86	115.2 Å²	115.2	60%	0.601	60%	0.595	S	S	*	*			trans	-27.1	109.2	149.3	49.6	0	0	0	0	113	T93 F97	T93-S95 PolarHBondContact O-N 2.85Å; S95-F97 PolarHBondContact O-N 3.39Å
96	S	43	Very low	55.2	Low	99 Å²	99	118.8 Å²	118.8	69%	0.692	60%	0.603	S	S	*	*	S	Bend	trans	40.7	17.9	131.7	69	0	0	0	0	122	I94	I94-S96 PolarHBondContact O-N 3.08Å; I94-S96 VanDerWaalsContact O-N 3.17Å
97	F	46.1	Very low	57.6	Low	170 Å²	170	113 Å²	113	75%	0.746	58%	0.579	S	S	*	*			trans	-148.3	86.3	176.8	-72.8	-80	0	0	0	110.9	S95	S95-F97 PolarHBondContact O-N 3.39Å
98	L	51.4	Low	59.6	Low	107 Å²	107	120.3 Å²	120.3	56%	0.56	61%	0.61	S	S	*	*			trans	156.3	72.9	148.8	-83.4	159.8	0	0	0	109.5	E100	L98-E100 PolarHBondContact O-N 3.28Å
99	N	59.7	Low	61.9	Low	140 Å²	140	117.5 Å²	117.5	75%	0.749	60%	0.601	S	S	*	*			trans	-90.5	25.8	171	-78	-7.5	0	0	0	111.7
100	E	76.4	Confident	64.5	Low	128 Å²	128	110.2 Å²	110.2	60%	0.598	57%	0.567	S	S	*	*			trans	-83.4	131.7	179.5	-69.1	-174.4	178.8	0	0	110.1	L98 F102 Q114	L98-E100 PolarHBondContact O-N 3.28Å; E100-F102 HydrophobicContact CB-CE1 4.47Å; E100-Q114 WeakPolarHBondContact O-CA 3.48Å; E100-Q114 PolarHBondContact O-N 2.98Å
101	C	84.1	Confident	67.2	Low	39 Å²	39	108.2 Å²	108.2	26%	0.264	56%	0.557	S	S	.	*	B	Isolated β-bridge	trans	-85.1	126.3	172.8	-178.1	0	0	0	0	109	Y106 C112	C101-Y106 HydrophobicContact CB-CE1 4.43Å; C101-Y106 WeakPolarHBondContact SG-CE1 3.38Å; C101-C112 HydrophobicContact CB-CB 3.69Å; C101-C112 WeakPolarHBondContact CB-SG 3.42Å; C101-C112 WeakPolarHBondContact SG-CB 3Å; C101-C112 CovalentContact SG-SG 2.03Å; C101-C112 PolarHBondContact SG-SG 3.03Å
102	F	84.6	Confident	69.9	Low	113 Å²	113	98.9 Å²	98.9	50%	0.496	52%	0.524	S	S	.	.			trans	-95.8	8.5	177.4	-59	-56.1	0	0	0	112.8	E100 Q114 T115 N133	E100-F102 HydrophobicContact CB-CE1 4.47Å; F102-Q114 HydrophobicContact CD2-CB 3.99Å; F102-Q114 HydrophobicContact CD2-CG 4.41Å; F102-Q114 HydrophobicContact CE2-CB 4.12Å; F102-Q114 HydrophobicContact CE2-CG 4.04Å; F102-Q114 PolarHBondContact N-O 3.41Å; F102-T115 HydrophobicContact CB-CG2 4.44Å; F102-N133 PolarHBondContact O-ND2 3.08Å
103	L	84.3	Confident	72.5	Confident	13 Å²	13	96.8 Å²	96.8	7%	0.068	51%	0.507	C	S	.	.			trans	-94.8	140.4	178	-53	177.7	0	0	0	109.9	Y106 T115 V117 V130 N133	L103-Y106 HydrophobicContact CB-CD1 4.41Å; L103-T115 HydrophobicContact CD2-CG2 4.25Å; L103-V117 HydrophobicContact CD1-CG2 3.17Å; L103-V130 HydrophobicContact CD1-CG1 4.27Å; L103-N133 VanDerWaalsContact CD2-CG 3.49Å; L103-N133 WeakPolarHBondContact CD2-OD1 3.44Å
104	Q	82.8	Confident	74.9	Confident	194 Å²	194	94.1 Å²	94.1	91%	0.907	48%	0.484	S	S	*	.	S	Bend	trans	-85.9	-26.1	-179.1	-66.4	-179.3	-4.3	0	0	112.3	S131	Q104-S131 PolarHBondContact N-OG 3.35Å; Q104-S131 VanDerWaalsContact N-OG 3.09Å
105	E	87.7	Confident	77.3	Confident	105 Å²	105	89.7 Å²	89.7	49%	0.491	46%	0.463	S	S	.	.			trans	-141.2	118.8	-171.7	-172	169.1	-154.3	0	0	110.1	L129 V130 S131	E105-L129 WeakPolarHBondContact OE1-CD2 3.32Å; E105-V130 CarbonylContact O-C 3.53Å; E105-V130 WeakPolarHBondContact O-CA 3.22Å; E105-S131 PolarHBondContact N-OG 3.47Å; E105-S131 PolarHBondContact O-N 3Å; E105-S131 PolarHBondContact O-OG 2.91Å
106	Y	90.6	Very high	79.8	Confident	92 Å²	92	88.2 Å²	88.2	36%	0.361	45%	0.448	S	S	.	.			trans	-160.8	156.7	170.8	66.8	-83	0	0	0	109.5	C101 L103 C110 C112	C101-Y106 HydrophobicContact CB-CE1 4.43Å; C101-Y106 WeakPolarHBondContact SG-CE1 3.38Å; L103-Y106 HydrophobicContact CB-CD1 4.41Å; Y106-C110 WeakPolarHBondContact CE2-O 3.01Å; Y106-C112 HydrophobicContact CD1-CB 4.24Å; Y106-C112 HydrophobicContact CD2-CB 4.1Å; Y106-C112 HydrophobicContact CE1-CB 3.98Å; Y106-C112 HydrophobicContact CE2-CB 3.84Å; Y106-C112 HydrophobicContact CG-CB 4.3Å
107	P	89.4	Confident	82.2	Confident	30 Å²	30	83.5 Å²	83.5	20%	0.195	42%	0.415	C	S	.	.			trans	-67	139.1	179.4	-18.5	30.4	0	0	0	112.8	S109 C110 P128	P107-S109 PolarHBondContact O-N 3.29Å; P107-S109 VanDerWaalsContact O-N 3.11Å; P107-C110 WeakPolarHBondContact O-CB 3.27Å; P107-C110 PolarHBondContact O-N 2.68Å; P107-P128 HydrophobicContact CG-CB 3.43Å; P107-P128 VanDerWaalsContact CG-CB 3.43Å; P107-P128 HydrophobicContact CG-CG 4.07Å
108	E	84.4	Confident	84.5	Confident	201 Å²	201	80.4 Å²	80.4	94%	0.939	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-24.4	178	-66.5	-169.4	164.5	0	0	113.6	C110	E108-C110 PolarHBondContact O-N 3.35Å
109	S	87.7	Confident	86.5	Confident	71 Å²	71	75.3 Å²	75.3	50%	0.497	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-0	177	54.2	0	0	0	0	113.9	P107 V122	P107-S109 PolarHBondContact O-N 3.29Å; P107-S109 VanDerWaalsContact O-N 3.11Å; S109-V122 VanDerWaalsContact CB-CG1 3.43Å; S109-V122 WeakPolarHBondContact O-CG2 3.44Å; S109-V122 VanDerWaalsContact OG-CG1 3.31Å; S109-V122 WeakPolarHBondContact OG-CG1 3.39Å
110	C	90.8	Very high	88	Confident	5 Å²	5	71.7 Å²	71.7	3%	0.034	36%	0.355	C	S	.	.	S	Bend	trans	-114.2	145.9	179.1	-55.9	0	0	0	0	111.8	Y106 P107 E108 V117 R118 C119	Y106-C110 WeakPolarHBondContact CE2-O 3.01Å; P107-C110 WeakPolarHBondContact O-CB 3.27Å; P107-C110 PolarHBondContact O-N 2.68Å; E108-C110 PolarHBondContact O-N 3.35Å; C110-V117 HydrophobicContact CB-CG1 4.08Å; C110-R118 CarbonylContact C-O 3.47Å; C110-R118 WeakPolarHBondContact CA-O 3.15Å; C110-C119 HydrophobicContact CB-CB 4.02Å; C110-C119 WeakPolarHBondContact CB-SG 3.31Å; C110-C119 WeakPolarHBondContact SG-CB 3.48Å; C110-C119 CovalentContact SG-SG 2.02Å; C110-C119 PolarHBondContact SG-SG 2.78Å
111	D	89.9	Confident	88.7	Confident	102 Å²	102	72.4 Å²	72.4	55%	0.545	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	128.7	174.9	-66	-32.8	0	0	0	110.4	R118	D111-R118 HydrophobicContact CB-CB 4.21Å; D111-R118 PolarHBondContact N-O 3.45Å; D111-R118 PolarHBondContact O-N 3.2Å
112	C	90.1	Very high	89.1	Confident	17 Å²	17	72.5 Å²	72.5	12%	0.115	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	131.2	171.9	179.5	0	0	0	0	111.4	C101 Y106 D116	C101-C112 HydrophobicContact CB-CB 3.69Å; C101-C112 WeakPolarHBondContact CB-SG 3.42Å; C101-C112 WeakPolarHBondContact SG-CB 3Å; C101-C112 CovalentContact SG-SG 2.03Å; C101-C112 PolarHBondContact SG-SG 3.03Å; Y106-C112 HydrophobicContact CD1-CB 4.24Å; Y106-C112 HydrophobicContact CD2-CB 4.1Å; Y106-C112 HydrophobicContact CE1-CB 3.98Å; Y106-C112 HydrophobicContact CE2-CB 3.84Å; Y106-C112 HydrophobicContact CG-CB 4.3Å; C112-D116 WeakPolarHBondContact CA-O 3.38Å
113	I	86.6	Confident	89.5	Confident	55 Å²	55	71.7 Å²	71.7	28%	0.282	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	118.3	170.7	-59.6	179.6	0	0	0	107.8	T115 D116	I113-T115 PolarHBondContact O-N 3.04Å; I113-D116 PolarHBondContact N-O 3.32Å; I113-D116 WeakPolarHBondContact O-CB 3.18Å; I113-D116 PolarHBondContact O-N 3.23Å
114	Q	87.1	Confident	89.9	Confident	86 Å²	86	72.7 Å²	72.7	40%	0.402	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	56.1	-103.6	-173.7	-57.9	178.6	-10.2	0	0	111.6	E100 F102	E100-Q114 WeakPolarHBondContact O-CA 3.48Å; E100-Q114 PolarHBondContact O-N 2.98Å; F102-Q114 HydrophobicContact CD2-CB 3.99Å; F102-Q114 HydrophobicContact CD2-CG 4.41Å; F102-Q114 HydrophobicContact CE2-CB 4.12Å; F102-Q114 HydrophobicContact CE2-CG 4.04Å; F102-Q114 PolarHBondContact N-O 3.41Å
115	T	88.8	Confident	90.4	Very high	31 Å²	31	70.2 Å²	70.2	19%	0.19	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	12.5	177.5	49.7	0	0	0	0	112.5	F102 L103 I113 V134 T135	F102-T115 HydrophobicContact CB-CG2 4.44Å; L103-T115 HydrophobicContact CD2-CG2 4.25Å; I113-T115 PolarHBondContact O-N 3.04Å; T115-V134 WeakPolarHBondContact O-CG2 3.46Å; T115-T135 WeakPolarHBondContact CB-OG1 3.5Å; T115-T135 PolarHBondContact O-N 2.98Å; T115-T135 VanDerWaalsContact O-N 3.14Å; T115-T135 PolarHBondContact O-OG1 3.38Å; T115-T135 PolarHBondContact OG1-OG1 3.1Å
116	D	91.1	Very high	90.7	Very high	54 Å²	54	72.4 Å²	72.4	29%	0.289	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	126.5	-178.6	-62.3	-8.8	0	0	0	110.3	C112 I113 T135 W136	C112-D116 WeakPolarHBondContact CA-O 3.38Å; I113-D116 PolarHBondContact N-O 3.32Å; I113-D116 WeakPolarHBondContact O-CB 3.18Å; I113-D116 PolarHBondContact O-N 3.23Å; D116-T135 PolarHBondContact OD1-OG1 2.96Å; D116-W136 HydrophobicContact CB-CB 3.91Å; D116-W136 HydrophobicContact CB-CD2 4.42Å; D116-W136 HydrophobicContact CB-CE3 4.19Å; D116-W136 HydrophobicContact CB-CG 4.36Å; D116-W136 WeakPolarHBondContact OD1-CB 3.39Å
117	V	93.5	Very high	90.9	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	122.1	-179.8	-179.1	0	0	0	0	111	L103 C110 V130 V134 W136 L137 S138	L103-V117 HydrophobicContact CD1-CG2 3.17Å; C110-V117 HydrophobicContact CB-CG1 4.08Å; V117-V130 HydrophobicContact CG2-CG1 3.9Å; V117-V134 HydrophobicContact CB-CG2 4.44Å; V117-V134 HydrophobicContact CG2-CG2 4.05Å; V117-W136 PolarHBondContact N-O 2.9Å; V117-W136 VanDerWaalsContact O-CZ3 3.26Å; V117-W136 WeakPolarHBondContact O-CZ3 3.43Å; V117-L137 HydrophobicContact CB-CD1 3.97Å; V117-L137 HydrophobicContact CG1-CD1 4.06Å; V117-S138 PolarHBondContact O-N 3.2Å
118	R	93.3	Very high	91	Very high	106 Å²	106	68.5 Å²	68.5	40%	0.4	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	104.5	179.3	-76.5	-177	-62.7	164.2	8.1	111	C110 D111 W136	C110-R118 CarbonylContact C-O 3.47Å; C110-R118 WeakPolarHBondContact CA-O 3.15Å; D111-R118 HydrophobicContact CB-CB 4.21Å; D111-R118 PolarHBondContact N-O 3.45Å; D111-R118 PolarHBondContact O-N 3.2Å; R118-W136 HydrophobicContact CB-CZ3 4.23Å; R118-W136 HydrophobicContact CG-CE3 4.15Å; R118-W136 HydrophobicContact CG-CH2 3.48Å; R118-W136 VanDerWaalsContact CG-CH2 3.48Å; R118-W136 HydrophobicContact CG-CZ3 3.13Å
119	C	93.1	Very high	91.3	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.331	C	S	.	.			trans	-110.8	78.3	171.4	-54.3	0	0	0	0	109.5	C110 V122 L124 S138 L139 N142	C110-C119 HydrophobicContact CB-CB 4.02Å; C110-C119 WeakPolarHBondContact CB-SG 3.31Å; C110-C119 WeakPolarHBondContact SG-CB 3.48Å; C110-C119 CovalentContact SG-SG 2.02Å; C110-C119 PolarHBondContact SG-SG 2.78Å; C119-V122 HydrophobicContact CB-CG2 4.48Å; C119-L124 HydrophobicContact CB-CD1 3.73Å; C119-S138 CarbonylContact C-O 3.45Å; C119-S138 WeakPolarHBondContact CA-O 3.41Å; C119-S138 PolarHBondContact N-O 3.22Å; C119-L139 HydrophobicContact CB-CD2 3.79Å; C119-N142 PolarHBondContact O-ND2 2.81Å
120	V	91.4	Very high	91.5	Very high	63 Å²	63	61.2 Å²	61.2	38%	0.382	31%	0.309	S	S	.	.			trans	-108.8	128.7	-175.2	-177.4	0	0	0	0	110.1	V122 R140	V120-V122 VanDerWaalsContact C-N 3.28Å; V120-V122 WeakPolarHBondContact O-CG2 3.46Å; V120-V122 PolarHBondContact O-N 2.98Å; V120-R140 WeakPolarHBondContact CA-O 3.37Å
121	E	91.1	Very high	91.6	Very high	144 Å²	144	61.2 Å²	61.2	67%	0.673	31%	0.309	S	S	*	.	S	Bend	trans	62.7	30.7	178.4	-65.1	172.9	-166.7	0	0	114.6	R140 S141	E121-R140 PolarHBondContact N-O 3.44Å; E121-S141 WeakPolarHBondContact CA-O 3.19Å; E121-S141 PolarHBondContact N-O 2.03Å
122	V	92.3	Very high	91.6	Very high	40 Å²	40	60 Å²	60	24%	0.242	31%	0.307	C	S	.	.	S	Bend	trans	-92.9	-4.8	-176.3	-175.3	0	0	0	0	112.5	S109 C119 V120 L124 N142	S109-V122 VanDerWaalsContact CB-CG1 3.43Å; S109-V122 WeakPolarHBondContact O-CG2 3.44Å; S109-V122 VanDerWaalsContact OG-CG1 3.31Å; S109-V122 WeakPolarHBondContact OG-CG1 3.39Å; C119-V122 HydrophobicContact CB-CG2 4.48Å; V120-V122 VanDerWaalsContact C-N 3.28Å; V120-V122 WeakPolarHBondContact O-CG2 3.46Å; V120-V122 PolarHBondContact O-N 2.98Å; V122-L124 HydrophobicContact CB-CG 4.23Å; V122-L124 HydrophobicContact CG1-CD2 4.36Å; V122-L124 HydrophobicContact CG1-CG 4.24Å; V122-N142 PolarHBondContact N-OD1 3.33Å; V122-N142 VanDerWaalsContact N-OD1 3.09Å
123	N	93.1	Very high	91.6	Very high	96 Å²	96	62.4 Å²	62.4	51%	0.513	32%	0.319	S	S	.	.			trans	63.9	32.8	-176.2	-56.8	-77.4	0	0	0	114.4	N142 K143	N123-N142 PolarHBondContact N-OD1 2.95Å; N123-K143 HydrophobicContact CB-CD 4.42Å; N123-K143 WeakPolarHBondContact OD1-CE 3.12Å; N123-K143 PolarHBondContact OD1-NZ 3.35Å
124	L	93.4	Very high	92	Very high	34 Å²	34	59.8 Å²	59.8	18%	0.178	31%	0.305	C	S	.	.			trans	-65.4	133.1	175.8	-63.5	169.9	0	0	0	111.4	C119 V122 P128 L139 N142 K143 I144	C119-L124 HydrophobicContact CB-CD1 3.73Å; V122-L124 HydrophobicContact CB-CG 4.23Å; V122-L124 HydrophobicContact CG1-CD2 4.36Å; V122-L124 HydrophobicContact CG1-CG 4.24Å; L124-P128 HydrophobicContact CD1-CG 4.11Å; L124-L139 HydrophobicContact CD1-CD2 4.24Å; L124-N142 HydrophobicContact CB-CB 4.07Å; L124-N142 PolarHBondContact N-OD1 3.43Å; L124-N142 VanDerWaalsContact N-OD1 3.16Å; L124-K143 CarbonylContact O-C 3.47Å; L124-K143 VanDerWaalsContact O-C 3.31Å; L124-K143 WeakPolarHBondContact O-CA 3.19Å; L124-K143 PolarHBondContact O-N 2.91Å; L124-I144 PolarHBondContact O-N 2.95Å
125	E	93.8	Very high	92.3	Very high	143 Å²	143	57.7 Å²	57.7	67%	0.668	30%	0.298	S	S	*	.	S	Bend	trans	-95.5	-19.9	175.5	-63.4	-173.3	175.7	0	0	112.5	K143 I144	E125-K143 HydrophobicContact CG-CB 4.39Å; E125-I144 WeakPolarHBondContact O-CA 3.49Å
126	E	93.6	Very high	92.5	Very high	151 Å²	151	58.2 Å²	58.2	71%	0.706	30%	0.297	S	S	*	.	S	Bend	trans	-135.2	167.7	179.5	63.9	-175.5	178.8	0	0	111.3
127	V	93.8	Very high	92.7	Very high	23 Å²	23	55.6 Å²	55.6	14%	0.139	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-73.4	123.8	175.8	177.3	0	0	0	0	108.9	L139 I144 L147 V151 F152	V127-L139 HydrophobicContact CB-CD1 4.4Å; V127-L139 HydrophobicContact CG1-CD1 4.04Å; V127-L139 HydrophobicContact CG2-CD1 4.12Å; V127-I144 HydrophobicContact CG2-CD1 4.44Å; V127-L147 HydrophobicContact CG2-CD2 3.85Å; V127-V151 HydrophobicContact CB-CG2 3.81Å; V127-V151 HydrophobicContact CG1-CG2 4.18Å; V127-V151 HydrophobicContact CG2-CG2 3.99Å; V127-F152 HydrophobicContact CB-CE1 4.42Å; V127-F152 HydrophobicContact CG1-CD1 4.22Å; V127-F152 HydrophobicContact CG1-CE1 3.57Å; V127-F152 HydrophobicContact CG1-CZ 4.29Å; V127-F152 HydrophobicContact CG2-CE1 3.96Å; V127-F152 HydrophobicContact CG2-CZ 3.81Å
128	P	92.5	Very high	92.8	Very high	16 Å²	16	56 Å²	56	10%	0.104	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-73	155.6	-179.7	29.6	-33.8	0	0	0	112	P107 L124 V130 L139 Y155	P107-P128 HydrophobicContact CG-CB 3.43Å; P107-P128 VanDerWaalsContact CG-CB 3.43Å; P107-P128 HydrophobicContact CG-CG 4.07Å; L124-P128 HydrophobicContact CD1-CG 4.11Å; P128-V130 HydrophobicContact CG-CG2 4.39Å; P128-L139 HydrophobicContact CG-CD2 3.94Å; P128-Y155 PolarHBondContact O-OH 2.81Å
129	L	90.9	Very high	92.9	Very high	115 Å²	115	50.9 Å²	50.9	60%	0.602	27%	0.266	S	S	*	.	P	Polyproline II helix	trans	-73.3	127.6	170.7	-170.8	66.5	0	0	0	109.8	E105	E105-L129 WeakPolarHBondContact OE1-CD2 3.32Å
130	V	91.9	Very high	92.9	Very high	4 Å²	4	56.9 Å²	56.9	2%	0.024	29%	0.289	C	S	.	.			trans	-135.3	155	-178.6	-176.5	0	0	0	0	109.2	L103 E105 V117 P128 V134 L137 Y155	L103-V130 HydrophobicContact CD1-CG1 4.27Å; E105-V130 CarbonylContact O-C 3.53Å; E105-V130 WeakPolarHBondContact O-CA 3.22Å; V117-V130 HydrophobicContact CG2-CG1 3.9Å; P128-V130 HydrophobicContact CG-CG2 4.39Å; V130-V134 HydrophobicContact CG1-CB 4.04Å; V130-V134 HydrophobicContact CG1-CG1 4.27Å; V130-V134 HydrophobicContact CG1-CG2 4.22Å; V130-L137 HydrophobicContact CG2-CD1 4.38Å; V130-Y155 HydrophobicContact CB-CE1 4.48Å; V130-Y155 PolarHBondContact N-OH 3.2Å; V130-Y155 VanDerWaalsContact N-OH 3.15Å; V130-Y155 WeakPolarHBondContact O-CE1 3.42Å
131	S	91.9	Very high	93	Very high	6 Å²	6	54.8 Å²	54.8	4%	0.042	28%	0.277	C	S	.	.			trans	-59.5	143	174.4	-61.5	0	0	0	0	113.3	Q104 E105 N133 V134	Q104-S131 PolarHBondContact N-OG 3.35Å; Q104-S131 VanDerWaalsContact N-OG 3.09Å; E105-S131 PolarHBondContact N-OG 3.47Å; E105-S131 PolarHBondContact O-N 3Å; E105-S131 PolarHBondContact O-OG 2.91Å; S131-N133 WeakPolarHBondContact CB-OD1 3.23Å; S131-N133 PolarHBondContact O-N 3.18Å; S131-N133 VanDerWaalsContact O-N 3.16Å; S131-V134 WeakPolarHBondContact O-CB 3.1Å; S131-V134 WeakPolarHBondContact O-CG1 3.39Å; S131-V134 PolarHBondContact O-N 3.12Å
132	P	90.1	Very high	93.3	Very high	75 Å²	75	48.3 Å²	48.3	49%	0.487	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-14.6	-171.9	26.8	-35.7	0	0	0	115.6	V134 E154	P132-V134 PolarHBondContact O-N 3.05Å; P132-E154 WeakPolarHBondContact CB-O 3.39Å
133	N	91.2	Very high	93.4	Very high	69 Å²	69	51 Å²	51	37%	0.369	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	8.2	176	61	-28.5	0	0	0	113.8	F102 L103 S131 T135	F102-N133 PolarHBondContact O-ND2 3.08Å; L103-N133 VanDerWaalsContact CD2-CG 3.49Å; L103-N133 WeakPolarHBondContact CD2-OD1 3.44Å; S131-N133 WeakPolarHBondContact CB-OD1 3.23Å; S131-N133 PolarHBondContact O-N 3.18Å; S131-N133 VanDerWaalsContact O-N 3.16Å; N133-T135 PolarHBondContact O-N 2.98Å
134	V	93.6	Very high	93.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.231	C	C	.	.			trans	-63	127.4	176	64.2	0	0	0	0	111.2	T115 V117 V130 S131 P132 W136 L137 Y155 A157 L158	T115-V134 WeakPolarHBondContact O-CG2 3.46Å; V117-V134 HydrophobicContact CB-CG2 4.44Å; V117-V134 HydrophobicContact CG2-CG2 4.05Å; V130-V134 HydrophobicContact CG1-CB 4.04Å; V130-V134 HydrophobicContact CG1-CG1 4.27Å; V130-V134 HydrophobicContact CG1-CG2 4.22Å; S131-V134 WeakPolarHBondContact O-CB 3.1Å; S131-V134 WeakPolarHBondContact O-CG1 3.39Å; S131-V134 PolarHBondContact O-N 3.12Å; P132-V134 PolarHBondContact O-N 3.05Å; V134-W136 WeakPolarHBondContact CG2-O 3.43Å; V134-L137 HydrophobicContact CG2-CB 4.33Å; V134-Y155 HydrophobicContact CG1-CD1 4.15Å; V134-Y155 HydrophobicContact CG1-CG 4.07Å; V134-A157 CarbonylContact O-C 3.43Å; V134-L158 HydrophobicContact CG1-CD1 4.16Å; V134-L158 HydrophobicContact CG2-CD1 4.3Å; V134-L158 VanDerWaalsContact O-CA 3.3Å; V134-L158 WeakPolarHBondContact O-CA 3.34Å; V134-L158 PolarHBondContact O-N 2.99Å
135	T	93.5	Very high	93.7	Very high	42 Å²	42	49.5 Å²	49.5	26%	0.258	24%	0.244	S	C	.	.	S	Bend	trans	-99.9	-26.2	179.6	47.4	0	0	0	0	112.3	T115 D116 N133 E159 R160	T115-T135 WeakPolarHBondContact CB-OG1 3.5Å; T115-T135 PolarHBondContact O-N 2.98Å; T115-T135 VanDerWaalsContact O-N 3.14Å; T115-T135 PolarHBondContact O-OG1 3.38Å; T115-T135 PolarHBondContact OG1-OG1 3.1Å; D116-T135 PolarHBondContact OD1-OG1 2.96Å; N133-T135 PolarHBondContact O-N 2.98Å; T135-E159 PolarHBondContact O-N 2.99Å; T135-R160 PolarHBondContact O-N 2.91Å
136	W	94.4	Very high	93.8	Very high	41 Å²	41	46.7 Å²	46.7	16%	0.155	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	122.7	-175.5	-169.3	108.2	0	0	0	109	D116 V117 R118 V134 R160 F162	D116-W136 HydrophobicContact CB-CB 3.91Å; D116-W136 HydrophobicContact CB-CD2 4.42Å; D116-W136 HydrophobicContact CB-CE3 4.19Å; D116-W136 HydrophobicContact CB-CG 4.36Å; D116-W136 WeakPolarHBondContact OD1-CB 3.39Å; V117-W136 PolarHBondContact N-O 2.9Å; V117-W136 VanDerWaalsContact O-CZ3 3.26Å; V117-W136 WeakPolarHBondContact O-CZ3 3.43Å; R118-W136 HydrophobicContact CB-CZ3 4.23Å; R118-W136 HydrophobicContact CG-CE3 4.15Å; R118-W136 HydrophobicContact CG-CH2 3.48Å; R118-W136 VanDerWaalsContact CG-CH2 3.48Å; R118-W136 HydrophobicContact CG-CZ3 3.13Å; V134-W136 WeakPolarHBondContact CG2-O 3.43Å; W136-R160 HydrophobicContact CG-CB 4.31Å; W136-F162 AromaticContact CD1-CE2 3.93Å; W136-F162 HydrophobicContact CD2-CD2 4.4Å; W136-F162 HydrophobicContact CD2-CE2 4.1Å; W136-F162 AromaticContact CE2-CD2 3.8Å; W136-F162 AromaticContact CE2-CE2 3.28Å; W136-F162 HydrophobicContact CG-CE2 4.42Å; W136-F162 HydrophobicContact CH2-CD2 4.3Å; W136-F162 HydrophobicContact CH2-CE2 4.47Å; W136-F162 AromaticContact CZ2-CD2 3.74Å; W136-F162 HydrophobicContact CZ2-CD2 3.74Å; W136-F162 AromaticContact CZ2-CE2 3.51Å; W136-F162 HydrophobicContact CZ2-CE2 3.51Å; W136-F162 HydrophobicContact CZ2-CZ 4.07Å; W136-F162 AromaticContact NE1-CE2 3.17Å; W136-F162 AromaticContact NE1-CZ 3.71Å
137	L	95.2	Very high	94	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	118	-179.3	-178.8	60.9	0	0	0	109.8	V117 V130 V134 L139 F152 L158 R160 L161 F162	V117-L137 HydrophobicContact CB-CD1 3.97Å; V117-L137 HydrophobicContact CG1-CD1 4.06Å; V130-L137 HydrophobicContact CG2-CD1 4.38Å; V134-L137 HydrophobicContact CG2-CB 4.33Å; L137-L139 HydrophobicContact CD1-CD2 3.96Å; L137-L139 HydrophobicContact CD1-CG 4.36Å; L137-L139 HydrophobicContact CD2-CD1 4.35Å; L137-L139 HydrophobicContact CD2-CG 4.5Å; L137-L139 HydrophobicContact CG-CD2 4.3Å; L137-L139 HydrophobicContact CG-CG 4.15Å; L137-F152 HydrophobicContact CD2-CE1 4.37Å; L137-L158 HydrophobicContact CB-CD1 3.68Å; L137-R160 PolarHBondContact N-O 3.18Å; L137-L161 HydrophobicContact CB-CD1 4.15Å; L137-L161 HydrophobicContact CD2-CD1 4.06Å; L137-L161 HydrophobicContact CG-CD1 4.17Å; L137-L161 WeakPolarHBondContact O-CA 3.49Å; L137-F162 PolarHBondContact O-N 2.98Å
138	S	95.1	Very high	94.1	Very high	7 Å²	7	43.4 Å²	43.4	5%	0.049	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	118	172.6	171.2	0	0	0	0	112.6	V117 C119	V117-S138 PolarHBondContact O-N 3.2Å; C119-S138 CarbonylContact C-O 3.45Å; C119-S138 WeakPolarHBondContact CA-O 3.41Å; C119-S138 PolarHBondContact N-O 3.22Å
139	L	95	Very high	94.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.234	C	C	.	.			trans	-114.7	28.2	173.6	-52.5	179.3	0	0	0	110.7	C119 L124 V127 P128 L137 N142 I144 F162 L163 N166	C119-L139 HydrophobicContact CB-CD2 3.79Å; L124-L139 HydrophobicContact CD1-CD2 4.24Å; V127-L139 HydrophobicContact CB-CD1 4.4Å; V127-L139 HydrophobicContact CG1-CD1 4.04Å; V127-L139 HydrophobicContact CG2-CD1 4.12Å; P128-L139 HydrophobicContact CG-CD2 3.94Å; L137-L139 HydrophobicContact CD1-CD2 3.96Å; L137-L139 HydrophobicContact CD1-CG 4.36Å; L137-L139 HydrophobicContact CD2-CD1 4.35Å; L137-L139 HydrophobicContact CD2-CG 4.5Å; L137-L139 HydrophobicContact CG-CD2 4.3Å; L137-L139 HydrophobicContact CG-CG 4.15Å; L139-N142 PolarHBondContact O-ND2 2.99Å; L139-I144 HydrophobicContact CB-CD1 3.99Å; L139-I144 HydrophobicContact CD1-CD1 3.88Å; L139-F162 CarbonylContact C-O 3.16Å; L139-F162 PolarHBondContact N-O 3.42Å; L139-L163 HydrophobicContact CB-CD2 4.09Å; L139-L163 HydrophobicContact CD1-CD2 4.02Å; L139-N166 PolarHBondContact O-ND2 2.87Å
140	R	93.4	Very high	94.4	Very high	125 Å²	125	45.8 Å²	45.8	47%	0.472	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	146.8	-178.9	178.7	176.7	177.1	-178.2	1.2	112.2	V120 E121 N142 Q164	V120-R140 WeakPolarHBondContact CA-O 3.37Å; E121-R140 PolarHBondContact N-O 3.44Å; R140-N142 PolarHBondContact O-N 3.45Å; R140-N142 PolarHBondContact O-ND2 3.34Å; R140-Q164 VanDerWaalsContact CA-O 3.32Å; R140-Q164 WeakPolarHBondContact CA-O 3.33Å; R140-Q164 HydrophobicContact CG-CB 4.36Å; R140-Q164 WeakPolarHBondContact CG-O 3.2Å
141	S	94	Very high	94.6	Very high	19 Å²	19	47.7 Å²	47.7	13%	0.133	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	42.7	175.1	-61.9	0	0	0	0	113	E121 Q164 N165	E121-S141 WeakPolarHBondContact CA-O 3.19Å; E121-S141 PolarHBondContact N-O 2.03Å; S141-Q164 PolarHBondContact N-O 3.01Å; S141-N165 WeakPolarHBondContact CA-O 3.03Å; S141-N165 PolarHBondContact N-O 3.45Å; S141-N165 PolarHBondContact OG-ND2 2.02Å
142	N	95.9	Very high	94.7	Very high	9 Å²	9	47.4 Å²	47.4	5%	0.048	24%	0.237	C	C	.	.	S	Bend	trans	-113.1	-164.4	172.5	-71.3	-62.8	0	0	0	110.2	C119 V122 N123 L124 L139 R140 I144 N166	C119-N142 PolarHBondContact O-ND2 2.81Å; V122-N142 PolarHBondContact N-OD1 3.33Å; V122-N142 VanDerWaalsContact N-OD1 3.09Å; N123-N142 PolarHBondContact N-OD1 2.95Å; L124-N142 HydrophobicContact CB-CB 4.07Å; L124-N142 PolarHBondContact N-OD1 3.43Å; L124-N142 VanDerWaalsContact N-OD1 3.16Å; L139-N142 PolarHBondContact O-ND2 2.99Å; R140-N142 PolarHBondContact O-N 3.45Å; R140-N142 PolarHBondContact O-ND2 3.34Å; N142-I144 HydrophobicContact CB-CG1 4.31Å; N142-N166 VanDerWaalsContact CA-OD1 3.25Å; N142-N166 WeakPolarHBondContact CA-OD1 3.42Å; N142-N166 WeakPolarHBondContact CB-OD1 3.16Å; N142-N166 PolarHBondContact N-OD1 3.05Å; N142-N166 PolarHBondContact O-OD1 3.33Å
143	K	95.9	Very high	94.9	Very high	97 Å²	97	45.9 Å²	45.9	42%	0.422	23%	0.228	S	C	.	.			trans	-117.9	25.3	-175.6	-62.8	179.6	-177.7	168.3	0	112.2	N123 L124 E125 Q145 N166	N123-K143 HydrophobicContact CB-CD 4.42Å; N123-K143 WeakPolarHBondContact OD1-CE 3.12Å; N123-K143 PolarHBondContact OD1-NZ 3.35Å; L124-K143 CarbonylContact O-C 3.47Å; L124-K143 VanDerWaalsContact O-C 3.31Å; L124-K143 WeakPolarHBondContact O-CA 3.19Å; L124-K143 PolarHBondContact O-N 2.91Å; E125-K143 HydrophobicContact CG-CB 4.39Å; K143-Q145 PolarHBondContact O-N 2.92Å; K143-N166 PolarHBondContact N-OD1 2.98Å
144	I	96.5	Very high	94.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.242	C	C	.	.			trans	-67.1	128.9	-177.5	-52	174.7	0	0	0	109.1	L124 E125 V127 L139 N142 L147 L163 N166 S167 L168	L124-I144 PolarHBondContact O-N 2.95Å; E125-I144 WeakPolarHBondContact O-CA 3.49Å; V127-I144 HydrophobicContact CG2-CD1 4.44Å; L139-I144 HydrophobicContact CB-CD1 3.99Å; L139-I144 HydrophobicContact CD1-CD1 3.88Å; N142-I144 HydrophobicContact CB-CG1 4.31Å; I144-L147 HydrophobicContact CG2-CD2 4.33Å; I144-L163 HydrophobicContact CD1-CD2 4.32Å; I144-N166 HydrophobicContact CB-CB 4.49Å; I144-N166 PolarHBondContact N-OD1 3.45Å; I144-N166 VanDerWaalsContact N-OD1 3.15Å; I144-S167 CarbonylContact O-C 3.49Å; I144-S167 WeakPolarHBondContact O-CA 3.2Å; I144-S167 PolarHBondContact O-N 2.75Å; I144-L168 HydrophobicContact CB-CD2 4.15Å; I144-L168 HydrophobicContact CG2-CD2 3.65Å; I144-L168 PolarHBondContact O-N 3.11Å; I144-L168 VanDerWaalsContact O-N 3.08Å
145	Q	95.7	Very high	94.9	Very high	97 Å²	97	49.9 Å²	49.9	45%	0.453	24%	0.244	S	C	.	.			trans	-108.9	-29.7	-176.3	-64.6	180	34.7	0	0	113.9	K143 S167 L168 Q169 F170	K143-Q145 PolarHBondContact O-N 2.92Å; Q145-S167 WeakPolarHBondContact CA-O 3.49Å; Q145-L168 WeakPolarHBondContact O-CA 3.35Å; Q145-Q169 PolarHBondContact O-N 3.49Å; Q145-F170 PolarHBondContact O-N 2.93Å
146	I	95.9	Very high	94.8	Very high	85 Å²	85	51 Å²	51	44%	0.436	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	139.3	-170.5	-60.2	176.1	0	0	0	109	F170	I146-F170 WeakPolarHBondContact CA-O 3.43Å; I146-F170 HydrophobicContact CG2-CD1 4.13Å
147	L	96.9	Very high	94.8	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	107.8	164.7	-61	177.6	0	0	0	109	V127 I144 F152 L163 L168 F170 I171 S172 A175 F176	V127-L147 HydrophobicContact CG2-CD2 3.85Å; I144-L147 HydrophobicContact CG2-CD2 4.33Å; L147-F152 HydrophobicContact CD1-CE2 4.25Å; L147-F152 HydrophobicContact CD2-CE2 4.09Å; L147-F152 HydrophobicContact CD2-CZ 4.02Å; L147-L163 HydrophobicContact CD1-CD1 4.02Å; L147-L168 HydrophobicContact CD1-CD1 4.19Å; L147-L168 HydrophobicContact CD1-CD2 4.47Å; L147-L168 HydrophobicContact CD2-CD2 4.12Å; L147-L168 HydrophobicContact CG-CD1 4.43Å; L147-L168 HydrophobicContact CG-CD2 3.84Å; L147-F170 PolarHBondContact N-O 3.37Å; L147-I171 HydrophobicContact CB-CG2 4.46Å; L147-I171 HydrophobicContact CD1-CD1 4.32Å; L147-I171 HydrophobicContact CD1-CG1 4.15Å; L147-I171 HydrophobicContact CD1-CG2 4.36Å; L147-S172 WeakPolarHBondContact O-CB 3.33Å; L147-S172 PolarHBondContact O-N 3.44Å; L147-A175 HydrophobicContact CB-CB 3.88Å; L147-F176 HydrophobicContact CD1-CE1 4Å; L147-F176 HydrophobicContact CD1-CZ 3.8Å
148	D	95.5	Very high	94.8	Very high	104 Å²	104	50.7 Å²	50.7	56%	0.556	26%	0.26	S	S	*	.			trans	-73.7	166.2	179.9	-68.3	-57	0	0	0	112.7	F150 V151 A175	D148-F150 PolarHBondContact O-N 3.34Å; D148-V151 WeakPolarHBondContact O-CG1 3.31Å; D148-V151 PolarHBondContact O-N 3.35Å; D148-A175 WeakPolarHBondContact O-CA 3.43Å
149	D	95.3	Very high	94.8	Very high	75 Å²	75	53.4 Å²	53.4	40%	0.401	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	133.3	176.6	-78.9	-27.4	0	0	0	111.6	V151 S172 H174	D149-V151 PolarHBondContact O-N 3.32Å; D149-V151 VanDerWaalsContact O-N 3.15Å; D149-S172 WeakPolarHBondContact OD1-CB 3.48Å; D149-S172 PolarHBondContact OD1-OG 3.02Å; D149-H174 HydrophobicContact CB-CB 4.24Å; D149-H174 WeakPolarHBondContact OD1-CB 3.5Å; D149-H174 IonicContact OD1-CD2 3.77Å; D149-H174 IonicContact OD1-CG 3.81Å; D149-H174 PolarHBondContact OD1-N 2.95Å; D149-H174 VanDerWaalsContact OD1-N 3.17Å
150	F	95.3	Very high	94.9	Very high	105 Å²	105	58.3 Å²	58.3	46%	0.461	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	62	16	174.9	-47.4	-73.9	0	0	0	115.8	D148 F152 S153 H174	D148-F150 PolarHBondContact O-N 3.34Å; F150-F152 PolarHBondContact O-N 2.96Å; F150-F152 VanDerWaalsContact O-N 3.1Å; F150-S153 VanDerWaalsContact O-CB 3.27Å; F150-S153 WeakPolarHBondContact O-CB 3.28Å; F150-S153 PolarHBondContact O-N 2.66Å; F150-S153 PolarHBondContact O-OG 2.92Å; F150-H174 HydrophobicContact CD1-CB 4.18Å; F150-H174 HydrophobicContact CE1-CB 3.74Å; F150-H174 HydrophobicContact CE2-CB 4.13Å; F150-H174 HydrophobicContact CZ-CB 3.71Å; F150-H174 AromaticContact CZ-CG 3.88Å; F150-H174 PolarHBondContact N-O 3.02Å
151	V	95.5	Very high	95	Very high	44 Å²	44	52.4 Å²	52.4	27%	0.267	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-27.4	-177.2	69	0	0	0	0	114.2	V127 D148 D149	V127-V151 HydrophobicContact CB-CG2 3.81Å; V127-V151 HydrophobicContact CG1-CG2 4.18Å; V127-V151 HydrophobicContact CG2-CG2 3.99Å; D148-V151 WeakPolarHBondContact O-CG1 3.31Å; D148-V151 PolarHBondContact O-N 3.35Å; D149-V151 PolarHBondContact O-N 3.32Å; D149-V151 VanDerWaalsContact O-N 3.15Å
152	F	95.6	Very high	95.1	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109	10.7	177.3	-55.4	-68.3	0	0	0	113.9	V127 L137 L147 F150 E154 Y155 L161 L163 A175 F176 L179	V127-F152 HydrophobicContact CB-CE1 4.42Å; V127-F152 HydrophobicContact CG1-CD1 4.22Å; V127-F152 HydrophobicContact CG1-CE1 3.57Å; V127-F152 HydrophobicContact CG1-CZ 4.29Å; V127-F152 HydrophobicContact CG2-CE1 3.96Å; V127-F152 HydrophobicContact CG2-CZ 3.81Å; L137-F152 HydrophobicContact CD2-CE1 4.37Å; L147-F152 HydrophobicContact CD1-CE2 4.25Å; L147-F152 HydrophobicContact CD2-CE2 4.09Å; L147-F152 HydrophobicContact CD2-CZ 4.02Å; F150-F152 PolarHBondContact O-N 2.96Å; F150-F152 VanDerWaalsContact O-N 3.1Å; F152-E154 VanDerWaalsContact C-N 3.29Å; F152-E154 PolarHBondContact O-N 3.41Å; F152-Y155 HydrophobicContact CB-CD2 4.06Å; F152-Y155 AromaticContact CD1-CD2 3.83Å; F152-Y155 HydrophobicContact CD1-CD2 3.83Å; F152-Y155 AromaticContact CD1-CE2 3.95Å; F152-Y155 HydrophobicContact CD1-CE2 3.95Å; F152-Y155 HydrophobicContact CG-CD2 4.46Å; F152-Y155 PolarHBondContact O-N 3.02Å; F152-L161 HydrophobicContact CD1-CD2 4.49Å; F152-L161 HydrophobicContact CD2-CD2 4.21Å; F152-L161 HydrophobicContact CE1-CD1 4.23Å; F152-L161 HydrophobicContact CE1-CD2 4.21Å; F152-L161 HydrophobicContact CE2-CD2 3.94Å; F152-L161 HydrophobicContact CG-CD2 4.5Å; F152-L161 HydrophobicContact CZ-CD1 4.42Å; F152-L161 HydrophobicContact CZ-CD2 3.94Å; F152-L163 HydrophobicContact CE2-CD1 4.49Å; F152-L163 HydrophobicContact CZ-CD1 4.22Å; F152-A175 WeakPolarHBondContact CD2-O 3.25Å; F152-F176 AromaticContact CD2-CD1 3.97Å; F152-F176 HydrophobicContact CD2-CD1 3.97Å; F152-F176 HydrophobicContact CD2-CE1 4.28Å; F152-F176 HydrophobicContact CE2-CD1 4.13Å; F152-F176 AromaticContact CE2-CE1 3.96Å; F152-F176 HydrophobicContact CE2-CE1 3.96Å; F152-L179 HydrophobicContact CB-CD1 3.77Å; F152-L179 HydrophobicContact CB-CD2 3.93Å; F152-L179 HydrophobicContact CB-CG 3.98Å; F152-L179 HydrophobicContact CD2-CD1 4.32Å; F152-L179 HydrophobicContact CG-CD1 4.25Å; F152-L179 WeakPolarHBondContact O-CD2 3.04Å
153	S	92.9	Very high	95.1	Very high	44 Å²	44	52.7 Å²	52.7	31%	0.308	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-29	-168.9	58.4	0	0	0	0	114.6	F150 Y155 S177	F150-S153 VanDerWaalsContact O-CB 3.27Å; F150-S153 WeakPolarHBondContact O-CB 3.28Å; F150-S153 PolarHBondContact O-N 2.66Å; F150-S153 PolarHBondContact O-OG 2.92Å; S153-Y155 VanDerWaalsContact C-N 3.28Å; S153-Y155 PolarHBondContact O-N 3.05Å; S153-S177 WeakPolarHBondContact CA-O 3.32Å
154	E	90.9	Very high	95.1	Very high	140 Å²	140	49.1 Å²	49.1	65%	0.654	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-16.9	176.6	-62.4	-62.8	146.9	0	0	112.7	P132 F152 S156	P132-E154 WeakPolarHBondContact CB-O 3.39Å; F152-E154 VanDerWaalsContact C-N 3.29Å; F152-E154 PolarHBondContact O-N 3.41Å; E154-S156 VanDerWaalsContact C-N 3.34Å; E154-S156 PolarHBondContact O-N 2.88Å
155	Y	93.8	Very high	95	Very high	12 Å²	12	53.1 Å²	53.1	5%	0.047	27%	0.273	C	S	.	.			trans	-94.1	50.2	-172.4	-47.8	-32.7	0	0	0	112.7	P128 V130 V134 F152 S153 A157 L158 L179	P128-Y155 PolarHBondContact O-OH 2.81Å; V130-Y155 HydrophobicContact CB-CE1 4.48Å; V130-Y155 PolarHBondContact N-OH 3.2Å; V130-Y155 VanDerWaalsContact N-OH 3.15Å; V130-Y155 WeakPolarHBondContact O-CE1 3.42Å; V134-Y155 HydrophobicContact CG1-CD1 4.15Å; V134-Y155 HydrophobicContact CG1-CG 4.07Å; F152-Y155 HydrophobicContact CB-CD2 4.06Å; F152-Y155 AromaticContact CD1-CD2 3.83Å; F152-Y155 HydrophobicContact CD1-CD2 3.83Å; F152-Y155 AromaticContact CD1-CE2 3.95Å; F152-Y155 HydrophobicContact CD1-CE2 3.95Å; F152-Y155 HydrophobicContact CG-CD2 4.46Å; F152-Y155 PolarHBondContact O-N 3.02Å; S153-Y155 VanDerWaalsContact C-N 3.28Å; S153-Y155 PolarHBondContact O-N 3.05Å; Y155-A157 PolarHBondContact O-N 3.14Å; Y155-A157 VanDerWaalsContact O-N 3.12Å; Y155-L158 WeakPolarHBondContact O-CB 3.36Å; Y155-L158 PolarHBondContact O-N 3.25Å; Y155-L179 VanDerWaalsContact O-CD2 3.29Å; Y155-L179 WeakPolarHBondContact O-CD2 3.29Å
156	S	92.1	Very high	95	Very high	65 Å²	65	49 Å²	49	46%	0.455	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-21.2	-174	61.6	0	0	0	0	115.3	E154 S181	E154-S156 VanDerWaalsContact C-N 3.34Å; E154-S156 PolarHBondContact O-N 2.88Å; S156-S181 WeakPolarHBondContact O-CB 3.22Å; S156-S181 PolarHBondContact O-OG 3.38Å
157	A	93.9	Very high	95	Very high	36 Å²	36	47.1 Å²	47.1	30%	0.298	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-4.4	176.6	0	0	0	0	0	113.9	V134 Y155 E159	V134-A157 CarbonylContact O-C 3.43Å; Y155-A157 PolarHBondContact O-N 3.14Å; Y155-A157 VanDerWaalsContact O-N 3.12Å; A157-E159 PolarHBondContact O-N 3.15Å
158	L	96.1	Very high	95	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.248	C	C	.	.			trans	-66.8	121.8	-174.9	-172.6	71	0	0	0	111	V134 L137 Y155 L161 L179 S181 L182	V134-L158 HydrophobicContact CG1-CD1 4.16Å; V134-L158 HydrophobicContact CG2-CD1 4.3Å; V134-L158 VanDerWaalsContact O-CA 3.3Å; V134-L158 WeakPolarHBondContact O-CA 3.34Å; V134-L158 PolarHBondContact O-N 2.99Å; L137-L158 HydrophobicContact CB-CD1 3.68Å; Y155-L158 WeakPolarHBondContact O-CB 3.36Å; Y155-L158 PolarHBondContact O-N 3.25Å; L158-L161 HydrophobicContact CD2-CB 4.11Å; L158-L161 HydrophobicContact CD2-CD1 4.3Å; L158-L161 HydrophobicContact CD2-CD2 4.39Å; L158-L179 HydrophobicContact CB-CD2 4.11Å; L158-L179 HydrophobicContact CD2-CD2 4.09Å; L158-S181 CarbonylContact O-C 3.12Å; L158-L182 HydrophobicContact CD2-CD1 4.09Å; L158-L182 HydrophobicContact CG-CD1 3.97Å; L158-L182 VanDerWaalsContact O-CA 3.22Å; L158-L182 WeakPolarHBondContact O-CA 3.22Å; L158-L182 PolarHBondContact O-N 3.15Å
159	E	95.4	Very high	94.9	Very high	64 Å²	64	47 Å²	47	30%	0.299	24%	0.244	S	C	.	.			trans	-100.6	-31.1	179.4	-60.6	-158.7	158.7	0	0	112.8	T135 A157 K183 K184	T135-E159 PolarHBondContact O-N 2.99Å; A157-E159 PolarHBondContact O-N 3.15Å; E159-K183 PolarHBondContact O-N 3.17Å; E159-K183 IonicContact OE1-NZ 2.95Å; E159-K183 PolarHBondContact OE1-NZ 3.07Å; E159-K183 IonicContact OE2-NZ 3.95Å; E159-K183 PolarHBondContact OE2-NZ 3.02Å; E159-K183 VanDerWaalsContact OE2-NZ 3.08Å; E159-K184 PolarHBondContact O-N 3.21Å
160	R	95.6	Very high	94.9	Very high	103 Å²	103	48.9 Å²	48.9	39%	0.389	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	125.7	-175.9	-49.3	-171	-166.5	155.5	-1.9	111.6	T135 W136 L137 F162 K184	T135-R160 PolarHBondContact O-N 2.91Å; W136-R160 HydrophobicContact CG-CB 4.31Å; L137-R160 PolarHBondContact N-O 3.18Å; R160-F162 HydrophobicContact CB-CE2 3.65Å; R160-F162 HydrophobicContact CB-CZ 4.27Å; R160-K184 WeakPolarHBondContact CA-O 3.41Å; R160-K184 HydrophobicContact CB-CB 4.46Å; R160-K184 HydrophobicContact CG-CB 4.28Å; R160-K184 HydrophobicContact CG-CG 4.42Å
161	L	96.8	Very high	94.9	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	122.1	-179.9	-179.3	56.8	0	0	0	110.8	L137 F152 L158 L163 F176 L179 L182 K184 L185 F186	L137-L161 HydrophobicContact CB-CD1 4.15Å; L137-L161 HydrophobicContact CD2-CD1 4.06Å; L137-L161 HydrophobicContact CG-CD1 4.17Å; L137-L161 WeakPolarHBondContact O-CA 3.49Å; F152-L161 HydrophobicContact CD1-CD2 4.49Å; F152-L161 HydrophobicContact CD2-CD2 4.21Å; F152-L161 HydrophobicContact CE1-CD1 4.23Å; F152-L161 HydrophobicContact CE1-CD2 4.21Å; F152-L161 HydrophobicContact CE2-CD2 3.94Å; F152-L161 HydrophobicContact CG-CD2 4.5Å; F152-L161 HydrophobicContact CZ-CD1 4.42Å; F152-L161 HydrophobicContact CZ-CD2 3.94Å; L158-L161 HydrophobicContact CD2-CB 4.11Å; L158-L161 HydrophobicContact CD2-CD1 4.3Å; L158-L161 HydrophobicContact CD2-CD2 4.39Å; L161-L163 HydrophobicContact CD1-CD1 4.33Å; L161-L163 HydrophobicContact CD1-CG 4.22Å; L161-L163 HydrophobicContact CD2-CD1 3.87Å; L161-L163 HydrophobicContact CG-CD1 3.93Å; L161-L163 HydrophobicContact CG-CG 4.17Å; L161-F176 HydrophobicContact CD2-CD1 4.45Å; L161-F176 HydrophobicContact CD2-CE1 4.22Å; L161-L179 HydrophobicContact CD2-CD1 4.44Å; L161-L182 HydrophobicContact CB-CD1 3.91Å; L161-K184 PolarHBondContact N-O 2.97Å; L161-L185 HydrophobicContact CB-CD1 4.03Å; L161-L185 HydrophobicContact CD2-CD1 3.89Å; L161-L185 HydrophobicContact CG-CD1 4.01Å; L161-F186 PolarHBondContact O-N 3.36Å
162	F	96.1	Very high	94.9	Very high	34 Å²	34	42.8 Å²	42.8	15%	0.149	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	113.1	-179	-59.1	-97.8	0	0	0	110.2	W136 L137 L139 R160 F186	W136-F162 AromaticContact CD1-CE2 3.93Å; W136-F162 HydrophobicContact CD2-CD2 4.4Å; W136-F162 HydrophobicContact CD2-CE2 4.1Å; W136-F162 AromaticContact CE2-CD2 3.8Å; W136-F162 AromaticContact CE2-CE2 3.28Å; W136-F162 HydrophobicContact CG-CE2 4.42Å; W136-F162 HydrophobicContact CH2-CD2 4.3Å; W136-F162 HydrophobicContact CH2-CE2 4.47Å; W136-F162 AromaticContact CZ2-CD2 3.74Å; W136-F162 HydrophobicContact CZ2-CD2 3.74Å; W136-F162 AromaticContact CZ2-CE2 3.51Å; W136-F162 HydrophobicContact CZ2-CE2 3.51Å; W136-F162 HydrophobicContact CZ2-CZ 4.07Å; W136-F162 AromaticContact NE1-CE2 3.17Å; W136-F162 AromaticContact NE1-CZ 3.71Å; L137-F162 PolarHBondContact O-N 2.98Å; L139-F162 CarbonylContact C-O 3.16Å; L139-F162 PolarHBondContact N-O 3.42Å; R160-F162 HydrophobicContact CB-CE2 3.65Å; R160-F162 HydrophobicContact CB-CZ 4.27Å; F162-F186 HydrophobicContact CD1-CB 4.37Å; F162-F186 AromaticContact CD1-CD2 3.45Å; F162-F186 HydrophobicContact CD1-CD2 3.45Å; F162-F186 VanDerWaalsContact CD1-CD2 3.45Å; F162-F186 AromaticContact CD1-CE2 3.85Å; F162-F186 HydrophobicContact CD1-CE2 3.85Å; F162-F186 AromaticContact CD1-CG 4Å; F162-F186 HydrophobicContact CD1-CG 4Å; F162-F186 AromaticContact CE1-CD2 3.38Å; F162-F186 HydrophobicContact CE1-CD2 3.38Å; F162-F186 AromaticContact CE1-CE2 3.24Å; F162-F186 HydrophobicContact CE1-CE2 3.24Å; F162-F186 HydrophobicContact CE1-CG 4.18Å; F162-F186 AromaticContact CE1-CZ 3.93Å; F162-F186 HydrophobicContact CE1-CZ 3.93Å; F162-F186 HydrophobicContact CG-CD2 4.16Å; F162-F186 HydrophobicContact CZ-CD2 4.03Å; F162-F186 AromaticContact CZ-CE2 3.65Å; F162-F186 HydrophobicContact CZ-CE2 3.65Å
163	L	96.2	Very high	94.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.243	C	C	.	.			trans	-124.6	19.1	-178.9	-74.6	162.8	0	0	0	111.6	L139 I144 L147 F152 L161 N166 L168 F176 F186 L187 N190	L139-L163 HydrophobicContact CB-CD2 4.09Å; L139-L163 HydrophobicContact CD1-CD2 4.02Å; I144-L163 HydrophobicContact CD1-CD2 4.32Å; L147-L163 HydrophobicContact CD1-CD1 4.02Å; F152-L163 HydrophobicContact CE2-CD1 4.49Å; F152-L163 HydrophobicContact CZ-CD1 4.22Å; L161-L163 HydrophobicContact CD1-CD1 4.33Å; L161-L163 HydrophobicContact CD1-CG 4.22Å; L161-L163 HydrophobicContact CD2-CD1 3.87Å; L161-L163 HydrophobicContact CG-CD1 3.93Å; L161-L163 HydrophobicContact CG-CG 4.17Å; L163-N166 PolarHBondContact O-ND2 3.13Å; L163-N166 VanDerWaalsContact O-ND2 3.08Å; L163-L168 HydrophobicContact CB-CD1 4.22Å; L163-F176 HydrophobicContact CD1-CE1 4.41Å; L163-F186 CarbonylContact C-O 3.58Å; L163-F186 WeakPolarHBondContact CA-O 3.43Å; L163-F186 WeakPolarHBondContact CB-O 3.22Å; L163-F186 PolarHBondContact N-O 3.04Å; L163-L187 HydrophobicContact CB-CD2 3.85Å; L163-L187 HydrophobicContact CD1-CD2 3.75Å; L163-L187 HydrophobicContact CG-CD2 4.47Å; L163-N190 PolarHBondContact O-ND2 2.92Å
164	Q	94.4	Very high	95.1	Very high	23 Å²	23	49.1 Å²	49.1	11%	0.107	24%	0.244	C	C	.	.			trans	-69.6	156	-175.9	-49.5	101	-38.8	0	0	112.5	R140 S141 N166 F186 S188	R140-Q164 VanDerWaalsContact CA-O 3.32Å; R140-Q164 WeakPolarHBondContact CA-O 3.33Å; R140-Q164 HydrophobicContact CG-CB 4.36Å; R140-Q164 WeakPolarHBondContact CG-O 3.2Å; S141-Q164 PolarHBondContact N-O 3.01Å; Q164-N166 VanDerWaalsContact C-N 3.31Å; Q164-N166 PolarHBondContact O-N 2.72Å; Q164-N166 PolarHBondContact O-ND2 3.46Å; Q164-F186 HydrophobicContact CG-CB 3.65Å; Q164-F186 VanDerWaalsContact NE2-CG 3.3Å; Q164-S188 CarbonylContact C-O 3.31Å; Q164-S188 WeakPolarHBondContact CA-O 3.5Å; Q164-S188 VanDerWaalsContact CB-O 3.3Å; Q164-S188 WeakPolarHBondContact CB-O 3.28Å
165	N	94.9	Very high	95.3	Very high	83 Å²	83	42.5 Å²	42.5	44%	0.444	21%	0.213	S	C	.	.	S	Bend	trans	56.9	46.5	175	-162.1	43.1	0	0	0	111.7	S141 S188 N189	S141-N165 WeakPolarHBondContact CA-O 3.03Å; S141-N165 PolarHBondContact N-O 3.45Å; S141-N165 PolarHBondContact OG-ND2 2.02Å; N165-S188 PolarHBondContact N-O 3.48Å; N165-N189 WeakPolarHBondContact CA-O 3.33Å; N165-N189 PolarHBondContact N-O 2.9Å
166	N	95.8	Very high	95.5	Very high	11 Å²	11	42 Å²	42	6%	0.059	21%	0.211	C	C	.	.	S	Bend	trans	-112.1	-170.5	171	-84.2	-79.8	0	0	0	108.7	L139 N142 K143 I144 L163 Q164 L168 N189 N190	L139-N166 PolarHBondContact O-ND2 2.87Å; N142-N166 VanDerWaalsContact CA-OD1 3.25Å; N142-N166 WeakPolarHBondContact CA-OD1 3.42Å; N142-N166 WeakPolarHBondContact CB-OD1 3.16Å; N142-N166 PolarHBondContact N-OD1 3.05Å; N142-N166 PolarHBondContact O-OD1 3.33Å; K143-N166 PolarHBondContact N-OD1 2.98Å; I144-N166 HydrophobicContact CB-CB 4.49Å; I144-N166 PolarHBondContact N-OD1 3.45Å; I144-N166 VanDerWaalsContact N-OD1 3.15Å; L163-N166 PolarHBondContact O-ND2 3.13Å; L163-N166 VanDerWaalsContact O-ND2 3.08Å; Q164-N166 VanDerWaalsContact C-N 3.31Å; Q164-N166 PolarHBondContact O-N 2.72Å; Q164-N166 PolarHBondContact O-ND2 3.46Å; N166-L168 HydrophobicContact CB-CG 4.17Å; N166-N189 PolarHBondContact N-O 3.28Å; N166-N190 VanDerWaalsContact CA-OD1 3.24Å; N166-N190 WeakPolarHBondContact CA-OD1 3.43Å; N166-N190 WeakPolarHBondContact CB-OD1 3.44Å; N166-N190 PolarHBondContact N-OD1 3.39Å; N166-N190 PolarHBondContact O-OD1 3.4Å; N166-N190 VanDerWaalsContact O-OD1 3.12Å
167	S	95.8	Very high	95.6	Very high	45 Å²	45	40.1 Å²	40.1	32%	0.315	20%	0.198	S	C	.	.			trans	-110.8	31.5	176.2	-63	0	0	0	0	111.6	I144 Q145 Q169	I144-S167 CarbonylContact O-C 3.49Å; I144-S167 WeakPolarHBondContact O-CA 3.2Å; I144-S167 PolarHBondContact O-N 2.75Å; Q145-S167 WeakPolarHBondContact CA-O 3.49Å; S167-Q169 PolarHBondContact O-N 3.08Å
168	L	96.5	Very high	95.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.189	C	C	.	.			trans	-63.3	118.3	-173.7	-69.3	173.9	0	0	0	110.6	I144 Q145 L147 L163 N166 L187 N190 L191 I192	I144-L168 HydrophobicContact CB-CD2 4.15Å; I144-L168 HydrophobicContact CG2-CD2 3.65Å; I144-L168 PolarHBondContact O-N 3.11Å; I144-L168 VanDerWaalsContact O-N 3.08Å; Q145-L168 WeakPolarHBondContact O-CA 3.35Å; L147-L168 HydrophobicContact CD1-CD1 4.19Å; L147-L168 HydrophobicContact CD1-CD2 4.47Å; L147-L168 HydrophobicContact CD2-CD2 4.12Å; L147-L168 HydrophobicContact CG-CD1 4.43Å; L147-L168 HydrophobicContact CG-CD2 3.84Å; L163-L168 HydrophobicContact CB-CD1 4.22Å; N166-L168 HydrophobicContact CB-CG 4.17Å; L168-L187 HydrophobicContact CD1-CD2 3.95Å; L168-N190 HydrophobicContact CB-CB 4.01Å; L168-N190 WeakPolarHBondContact CB-OD1 3.46Å; L168-N190 WeakPolarHBondContact CG-OD1 3.46Å; L168-N190 PolarHBondContact N-OD1 2.92Å; L168-L191 CarbonylContact O-C 3.56Å; L168-L191 VanDerWaalsContact O-CA 3.25Å; L168-L191 WeakPolarHBondContact O-CA 3.3Å; L168-L191 PolarHBondContact O-N 3.03Å; L168-I192 HydrophobicContact CB-CG1 4.23Å; L168-I192 WeakPolarHBondContact O-CG1 3.18Å; L168-I192 PolarHBondContact O-N 3.18Å; L168-I192 VanDerWaalsContact O-N 3.1Å
169	Q	94.4	Very high	95.6	Very high	102 Å²	102	38.9 Å²	38.9	48%	0.477	19%	0.189	S	C	.	.			trans	-109	-37.9	177.2	-71	173.7	47.8	0	0	111.6	Q145 S167 L191	Q145-Q169 PolarHBondContact O-N 3.49Å; S167-Q169 PolarHBondContact O-N 3.08Å; Q169-L191 HydrophobicContact CG-CB 3.72Å; Q169-L191 HydrophobicContact CG-CD1 4.2Å
170	F	94.2	Very high	95.6	Very high	115 Å²	115	41.9 Å²	41.9	50%	0.504	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	128.3	-176	-173.5	-99.5	0	0	0	110.9	Q145 I146 L147	Q145-F170 PolarHBondContact O-N 2.93Å; I146-F170 WeakPolarHBondContact CA-O 3.43Å; I146-F170 HydrophobicContact CG2-CD1 4.13Å; L147-F170 PolarHBondContact N-O 3.37Å
171	I	96.6	Very high	95.6	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.021	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	115.3	171.7	-59.1	-177.8	0	0	0	106.8	L147 A175 F176 L187 I192 L195 V199	L147-I171 HydrophobicContact CB-CG2 4.46Å; L147-I171 HydrophobicContact CD1-CD1 4.32Å; L147-I171 HydrophobicContact CD1-CG1 4.15Å; L147-I171 HydrophobicContact CD1-CG2 4.36Å; I171-A175 HydrophobicContact CG2-CB 3.84Å; I171-F176 HydrophobicContact CD1-CZ 4.42Å; I171-F176 HydrophobicContact CG2-CD2 4.45Å; I171-F176 HydrophobicContact CG2-CE2 3.7Å; I171-F176 HydrophobicContact CG2-CZ 4.16Å; I171-L187 HydrophobicContact CD1-CD1 4.26Å; I171-L187 HydrophobicContact CD1-CD2 4.27Å; I171-I192 HydrophobicContact CD1-CD1 3.58Å; I171-I192 HydrophobicContact CD1-CG1 4.09Å; I171-I192 HydrophobicContact CD1-CG2 4.47Å; I171-L195 HydrophobicContact CD1-CD2 4.29Å; I171-V199 HydrophobicContact CG2-CG2 3.9Å
172	S	95.8	Very high	95.6	Very high	17 Å²	17	38.8 Å²	38.8	12%	0.119	19%	0.192	C	C	.	.			trans	-67	153.8	178.3	-161.8	0	0	0	0	111.6	L147 D149 H174 A175	L147-S172 WeakPolarHBondContact O-CB 3.33Å; L147-S172 PolarHBondContact O-N 3.44Å; D149-S172 WeakPolarHBondContact OD1-CB 3.48Å; D149-S172 PolarHBondContact OD1-OG 3.02Å; S172-H174 PolarHBondContact O-N 3.19Å; S172-H174 VanDerWaalsContact O-N 3.15Å; S172-A175 VanDerWaalsContact O-CB 3.29Å; S172-A175 WeakPolarHBondContact O-CB 3.42Å; S172-A175 PolarHBondContact O-N 3.06Å; S172-A175 VanDerWaalsContact O-N 3.1Å
173	K	94.8	Very high	95.6	Very high	106 Å²	106	39.9 Å²	39.9	46%	0.461	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-32.2	-176.9	-178.3	-178.7	177.7	-178.2	0	112.7
174	H	96.1	Very high	95.6	Very high	72 Å²	72	41.3 Å²	41.3	33%	0.333	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	14.3	-178.4	-56.7	-74	0	0	0	113.4	D149 F150 S172 F176 S177	D149-H174 HydrophobicContact CB-CB 4.24Å; D149-H174 WeakPolarHBondContact OD1-CB 3.5Å; D149-H174 IonicContact OD1-CD2 3.77Å; D149-H174 IonicContact OD1-CG 3.81Å; D149-H174 PolarHBondContact OD1-N 2.95Å; D149-H174 VanDerWaalsContact OD1-N 3.17Å; F150-H174 HydrophobicContact CD1-CB 4.18Å; F150-H174 HydrophobicContact CE1-CB 3.74Å; F150-H174 HydrophobicContact CE2-CB 4.13Å; F150-H174 HydrophobicContact CZ-CB 3.71Å; F150-H174 AromaticContact CZ-CG 3.88Å; F150-H174 PolarHBondContact N-O 3.02Å; S172-H174 PolarHBondContact O-N 3.19Å; S172-H174 VanDerWaalsContact O-N 3.15Å; H174-F176 VanDerWaalsContact C-N 3.3Å; H174-F176 PolarHBondContact O-N 3.28Å; H174-S177 WeakPolarHBondContact O-CB 3.28Å; H174-S177 PolarHBondContact O-N 3.37Å; H174-S177 VanDerWaalsContact O-N 3.16Å
175	A	96.6	Very high	95.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-40.3	-177.5	0	0	0	0	0	113.4	L147 D148 F152 I171 S172	L147-A175 HydrophobicContact CB-CB 3.88Å; D148-A175 WeakPolarHBondContact O-CA 3.43Å; F152-A175 WeakPolarHBondContact CD2-O 3.25Å; I171-A175 HydrophobicContact CG2-CB 3.84Å; S172-A175 VanDerWaalsContact O-CB 3.29Å; S172-A175 WeakPolarHBondContact O-CB 3.42Å; S172-A175 PolarHBondContact O-N 3.06Å; S172-A175 VanDerWaalsContact O-N 3.1Å
176	F	96.9	Very high	95.8	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.009	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	15	-179.5	-53.2	-64.2	0	0	0	114	L147 F152 L161 L163 I171 H174 L179 L185 L187 V199 F200 L203	L147-F176 HydrophobicContact CD1-CE1 4Å; L147-F176 HydrophobicContact CD1-CZ 3.8Å; F152-F176 AromaticContact CD2-CD1 3.97Å; F152-F176 HydrophobicContact CD2-CD1 3.97Å; F152-F176 HydrophobicContact CD2-CE1 4.28Å; F152-F176 HydrophobicContact CE2-CD1 4.13Å; F152-F176 AromaticContact CE2-CE1 3.96Å; F152-F176 HydrophobicContact CE2-CE1 3.96Å; L161-F176 HydrophobicContact CD2-CD1 4.45Å; L161-F176 HydrophobicContact CD2-CE1 4.22Å; L163-F176 HydrophobicContact CD1-CE1 4.41Å; I171-F176 HydrophobicContact CD1-CZ 4.42Å; I171-F176 HydrophobicContact CG2-CD2 4.45Å; I171-F176 HydrophobicContact CG2-CE2 3.7Å; I171-F176 HydrophobicContact CG2-CZ 4.16Å; H174-F176 VanDerWaalsContact C-N 3.3Å; H174-F176 PolarHBondContact O-N 3.28Å; F176-L179 HydrophobicContact CB-CD1 4.3Å; F176-L179 HydrophobicContact CD1-CD1 4.2Å; F176-L185 HydrophobicContact CE1-CD1 4.19Å; F176-L185 HydrophobicContact CE1-CD2 4.24Å; F176-L185 HydrophobicContact CE2-CD2 4.32Å; F176-L185 HydrophobicContact CZ-CD2 4.15Å; F176-L187 HydrophobicContact CE2-CD1 4.46Å; F176-L187 HydrophobicContact CZ-CD1 4.09Å; F176-L187 HydrophobicContact CZ-CD2 4.36Å; F176-V199 HydrophobicContact CD2-CG2 4.04Å; F176-V199 HydrophobicContact CE2-CG2 4.25Å; F176-F200 AromaticContact CD2-CD1 4Å; F176-F200 HydrophobicContact CD2-CD1 4Å; F176-F200 AromaticContact CD2-CE1 3.96Å; F176-F200 HydrophobicContact CD2-CE1 3.96Å; F176-F200 HydrophobicContact CE2-CD1 4.32Å; F176-F200 AromaticContact CE2-CE1 3.8Å; F176-F200 HydrophobicContact CE2-CE1 3.8Å; F176-L203 HydrophobicContact CB-CD1 4.27Å; F176-L203 HydrophobicContact CB-CD2 4.17Å; F176-L203 HydrophobicContact CB-CG 4.44Å
177	S	95.4	Very high	95.8	Very high	25 Å²	25	36.9 Å²	36.9	18%	0.175	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	141.2	180	-160.3	0	0	0	0	110.6	S153 H174 D202	S153-S177 WeakPolarHBondContact CA-O 3.32Å; H174-S177 WeakPolarHBondContact O-CB 3.28Å; H174-S177 PolarHBondContact O-N 3.37Å; H174-S177 VanDerWaalsContact O-N 3.16Å; S177-D202 WeakPolarHBondContact CA-OD2 3.35Å; S177-D202 WeakPolarHBondContact CB-OD2 3.41Å; S177-D202 PolarHBondContact OG-OD2 3.03Å
178	G	93.3	Very high	95.8	Very high	10 Å²	10	35 Å²	35	10%	0.103	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.3	-9.4	-178.1	0	0	0	0	0	116	Y180 D202	G178-Y180 VanDerWaalsContact C-N 3.27Å; G178-Y180 WeakPolarHBondContact O-CD2 3.29Å; G178-Y180 PolarHBondContact O-N 3.27Å; G178-D202 PolarHBondContact N-OD2 3.47Å
179	L	96.1	Very high	95.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.186	C	C	.	.			trans	-83.7	57.2	-179.7	-66.6	-175.5	0	0	0	113.2	F152 Y155 L158 L161 F176 S181 L182 L203	F152-L179 HydrophobicContact CB-CD1 3.77Å; F152-L179 HydrophobicContact CB-CD2 3.93Å; F152-L179 HydrophobicContact CB-CG 3.98Å; F152-L179 HydrophobicContact CD2-CD1 4.32Å; F152-L179 HydrophobicContact CG-CD1 4.25Å; F152-L179 WeakPolarHBondContact O-CD2 3.04Å; Y155-L179 VanDerWaalsContact O-CD2 3.29Å; Y155-L179 WeakPolarHBondContact O-CD2 3.29Å; L158-L179 HydrophobicContact CB-CD2 4.11Å; L158-L179 HydrophobicContact CD2-CD2 4.09Å; L161-L179 HydrophobicContact CD2-CD1 4.44Å; F176-L179 HydrophobicContact CB-CD1 4.3Å; F176-L179 HydrophobicContact CD1-CD1 4.2Å; L179-S181 VanDerWaalsContact C-N 3.28Å; L179-S181 PolarHBondContact O-N 2.81Å; L179-L182 HydrophobicContact CB-CB 4.11Å; L179-L182 HydrophobicContact CD1-CD2 4.08Å; L179-L182 WeakPolarHBondContact O-CB 3.37Å; L179-L182 PolarHBondContact O-N 3.5Å; L179-L203 HydrophobicContact CB-CD2 3.57Å; L179-L203 WeakPolarHBondContact O-CD2 3.18Å
180	Y	94.4	Very high	95.9	Very high	127 Å²	127	34.1 Å²	34.1	50%	0.498	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-24.7	-174.3	-56.3	-72	0	0	0	114.5	G178 D202 Q205	G178-Y180 VanDerWaalsContact C-N 3.27Å; G178-Y180 WeakPolarHBondContact O-CD2 3.29Å; G178-Y180 PolarHBondContact O-N 3.27Å; Y180-D202 HydrophobicContact CD1-CB 4.09Å; Y180-D202 WeakPolarHBondContact CD1-O 2.98Å; Y180-D202 HydrophobicContact CE1-CB 3.75Å; Y180-Q205 WeakPolarHBondContact O-CG 3.26Å
181	S	95.9	Very high	96	Very high	38 Å²	38	32.9 Å²	32.9	27%	0.266	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-0.6	-178	-47.4	0	0	0	0	113.5	S156 L158 L179 K183	S156-S181 WeakPolarHBondContact O-CB 3.22Å; S156-S181 PolarHBondContact O-OG 3.38Å; L158-S181 CarbonylContact O-C 3.12Å; L179-S181 VanDerWaalsContact C-N 3.28Å; L179-S181 PolarHBondContact O-N 2.81Å; S181-K183 PolarHBondContact O-N 3.24Å
182	L	97.3	Very high	96	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.162	C	C	.	.			trans	-70.3	121.7	-173.7	-166	77	0	0	0	110.5	L158 L161 L179 L185 L203 Q205 L206	L158-L182 HydrophobicContact CD2-CD1 4.09Å; L158-L182 HydrophobicContact CG-CD1 3.97Å; L158-L182 VanDerWaalsContact O-CA 3.22Å; L158-L182 WeakPolarHBondContact O-CA 3.22Å; L158-L182 PolarHBondContact O-N 3.15Å; L161-L182 HydrophobicContact CB-CD1 3.91Å; L179-L182 HydrophobicContact CB-CB 4.11Å; L179-L182 HydrophobicContact CD1-CD2 4.08Å; L179-L182 WeakPolarHBondContact O-CB 3.37Å; L179-L182 PolarHBondContact O-N 3.5Å; L182-L185 HydrophobicContact CD2-CB 4.1Å; L182-L185 HydrophobicContact CD2-CD1 4.46Å; L182-L185 HydrophobicContact CD2-CD2 4.47Å; L182-L203 HydrophobicContact CB-CD2 4.22Å; L182-L203 HydrophobicContact CD2-CD1 4.25Å; L182-L203 HydrophobicContact CD2-CD2 3.97Å; L182-Q205 CarbonylContact O-C 3.57Å; L182-L206 HydrophobicContact CD2-CD1 4Å; L182-L206 HydrophobicContact CG-CD1 4.06Å; L182-L206 WeakPolarHBondContact O-CA 3.48Å; L182-L206 PolarHBondContact O-N 2.99Å; L182-L206 VanDerWaalsContact O-N 3.08Å
183	K	95.9	Very high	95.9	Very high	57 Å²	57	34.9 Å²	34.9	25%	0.248	18%	0.177	C	C	.	.			trans	-101.5	-33.9	179.8	-65.7	173.2	-173.1	156.3	0	112.5	E159 S181 E207 W208	E159-K183 PolarHBondContact O-N 3.17Å; E159-K183 IonicContact OE1-NZ 2.95Å; E159-K183 PolarHBondContact OE1-NZ 3.07Å; E159-K183 IonicContact OE2-NZ 3.95Å; E159-K183 PolarHBondContact OE2-NZ 3.02Å; E159-K183 VanDerWaalsContact OE2-NZ 3.08Å; S181-K183 PolarHBondContact O-N 3.24Å; K183-E207 PolarHBondContact O-N 3.25Å; K183-W208 PolarHBondContact O-N 3.48Å
184	K	95.8	Very high	95.8	Very high	30 Å²	30	33.3 Å²	33.3	13%	0.13	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	125.6	-175.9	-52.2	-168	175.4	-179.5	0	112.2	E159 R160 L161 F186 W208	E159-K184 PolarHBondContact O-N 3.21Å; R160-K184 WeakPolarHBondContact CA-O 3.41Å; R160-K184 HydrophobicContact CB-CB 4.46Å; R160-K184 HydrophobicContact CG-CB 4.28Å; R160-K184 HydrophobicContact CG-CG 4.42Å; L161-K184 PolarHBondContact N-O 2.97Å; K184-F186 HydrophobicContact CB-CD2 4.47Å; K184-F186 HydrophobicContact CB-CE2 3.72Å; K184-F186 HydrophobicContact CB-CZ 4.37Å; K184-F186 HydrophobicContact CD-CE2 4.45Å; K184-W208 HydrophobicContact CB-CB 4.26Å; K184-W208 HydrophobicContact CD-CG 4.39Å; K184-W208 HydrophobicContact CG-CB 4.04Å; K184-W208 HydrophobicContact CG-CG 4.28Å
185	L	97.3	Very high	95.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	121.7	178.3	179.3	56.8	0	0	0	110.3	L161 F176 L182 L187 F200 L203 L206 W208 L209 M210	L161-L185 HydrophobicContact CB-CD1 4.03Å; L161-L185 HydrophobicContact CD2-CD1 3.89Å; L161-L185 HydrophobicContact CG-CD1 4.01Å; F176-L185 HydrophobicContact CE1-CD1 4.19Å; F176-L185 HydrophobicContact CE1-CD2 4.24Å; F176-L185 HydrophobicContact CE2-CD2 4.32Å; F176-L185 HydrophobicContact CZ-CD2 4.15Å; L182-L185 HydrophobicContact CD2-CB 4.1Å; L182-L185 HydrophobicContact CD2-CD1 4.46Å; L182-L185 HydrophobicContact CD2-CD2 4.47Å; L185-L187 HydrophobicContact CD1-CD1 4.44Å; L185-L187 HydrophobicContact CD1-CG 4.23Å; L185-L187 HydrophobicContact CD2-CD1 4.05Å; L185-L187 HydrophobicContact CG-CD1 4.11Å; L185-L187 HydrophobicContact CG-CG 4.23Å; L185-F200 HydrophobicContact CD2-CD1 4.3Å; L185-F200 HydrophobicContact CD2-CE1 3.88Å; L185-L203 HydrophobicContact CD2-CD1 4.05Å; L185-L206 HydrophobicContact CB-CD1 3.78Å; L185-L206 HydrophobicContact CB-CD2 4.39Å; L185-W208 PolarHBondContact N-O 3.23Å; L185-L209 HydrophobicContact CB-CD1 4.11Å; L185-L209 HydrophobicContact CD2-CD1 3.96Å; L185-L209 HydrophobicContact CG-CD1 4.03Å; L185-L209 WeakPolarHBondContact O-CA 3.5Å; L185-M210 PolarHBondContact O-N 3.41Å
186	F	96.5	Very high	95.6	Very high	24 Å²	24	32.2 Å²	32.2	11%	0.105	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	117.7	179.2	-57.3	-98.2	0	0	0	111.4	L161 F162 L163 Q164 K184 M210	L161-F186 PolarHBondContact O-N 3.36Å; F162-F186 HydrophobicContact CD1-CB 4.37Å; F162-F186 AromaticContact CD1-CD2 3.45Å; F162-F186 HydrophobicContact CD1-CD2 3.45Å; F162-F186 VanDerWaalsContact CD1-CD2 3.45Å; F162-F186 AromaticContact CD1-CE2 3.85Å; F162-F186 HydrophobicContact CD1-CE2 3.85Å; F162-F186 AromaticContact CD1-CG 4Å; F162-F186 HydrophobicContact CD1-CG 4Å; F162-F186 AromaticContact CE1-CD2 3.38Å; F162-F186 HydrophobicContact CE1-CD2 3.38Å; F162-F186 AromaticContact CE1-CE2 3.24Å; F162-F186 HydrophobicContact CE1-CE2 3.24Å; F162-F186 HydrophobicContact CE1-CG 4.18Å; F162-F186 AromaticContact CE1-CZ 3.93Å; F162-F186 HydrophobicContact CE1-CZ 3.93Å; F162-F186 HydrophobicContact CG-CD2 4.16Å; F162-F186 HydrophobicContact CZ-CD2 4.03Å; F162-F186 AromaticContact CZ-CE2 3.65Å; F162-F186 HydrophobicContact CZ-CE2 3.65Å; L163-F186 CarbonylContact C-O 3.58Å; L163-F186 WeakPolarHBondContact CA-O 3.43Å; L163-F186 WeakPolarHBondContact CB-O 3.22Å; L163-F186 PolarHBondContact N-O 3.04Å; Q164-F186 HydrophobicContact CG-CB 3.65Å; Q164-F186 VanDerWaalsContact NE2-CG 3.3Å; K184-F186 HydrophobicContact CB-CD2 4.47Å; K184-F186 HydrophobicContact CB-CE2 3.72Å; K184-F186 HydrophobicContact CB-CZ 4.37Å; K184-F186 HydrophobicContact CD-CE2 4.45Å; F186-M210 HydrophobicContact CD1-CB 3.98Å; F186-M210 HydrophobicContact CD1-CG 3.82Å; F186-M210 HydrophobicContact CD1-SD 3.37Å; F186-M210 WeakPolarHBondContact CD1-SD 3.28Å; F186-M210 HydrophobicContact CE1-CG 4.05Å; F186-M210 HydrophobicContact CE1-SD 3.32Å; F186-M210 WeakPolarHBondContact CE1-SD 3.38Å
187	L	96.5	Very high	95.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.197	C	C	.	.			trans	-122.6	13.3	-178.3	-71.4	164.9	0	0	0	112.2	L163 L168 I171 F176 L185 N190 I192 M210 L211 N214	L163-L187 HydrophobicContact CB-CD2 3.85Å; L163-L187 HydrophobicContact CD1-CD2 3.75Å; L163-L187 HydrophobicContact CG-CD2 4.47Å; L168-L187 HydrophobicContact CD1-CD2 3.95Å; I171-L187 HydrophobicContact CD1-CD1 4.26Å; I171-L187 HydrophobicContact CD1-CD2 4.27Å; F176-L187 HydrophobicContact CE2-CD1 4.46Å; F176-L187 HydrophobicContact CZ-CD1 4.09Å; F176-L187 HydrophobicContact CZ-CD2 4.36Å; L185-L187 HydrophobicContact CD1-CD1 4.44Å; L185-L187 HydrophobicContact CD1-CG 4.23Å; L185-L187 HydrophobicContact CD2-CD1 4.05Å; L185-L187 HydrophobicContact CG-CD1 4.11Å; L185-L187 HydrophobicContact CG-CG 4.23Å; L187-N190 PolarHBondContact O-ND2 3.48Å; L187-I192 HydrophobicContact CB-CD1 4.2Å; L187-I192 HydrophobicContact CD2-CD1 4.48Å; L187-M210 PolarHBondContact N-O 3.44Å; L187-L211 HydrophobicContact CB-CD2 3.96Å; L187-L211 HydrophobicContact CD1-CD2 3.82Å; L187-N214 PolarHBondContact O-ND2 3.5Å
188	S	95.5	Very high	95.2	Very high	7 Å²	7	34.4 Å²	34.4	5%	0.049	20%	0.195	C	C	.	.			trans	-63.6	152.2	-175.4	-44.6	0	0	0	0	113.5	Q164 N165 M210 D212	Q164-S188 CarbonylContact C-O 3.31Å; Q164-S188 WeakPolarHBondContact CA-O 3.5Å; Q164-S188 VanDerWaalsContact CB-O 3.3Å; Q164-S188 WeakPolarHBondContact CB-O 3.28Å; N165-S188 PolarHBondContact N-O 3.48Å; S188-M210 WeakPolarHBondContact OG-CB 3.47Å; S188-D212 CarbonylContact C-O 3.58Å; S188-D212 WeakPolarHBondContact CA-O 3.44Å; S188-D212 PolarHBondContact OG-OD2 2.78Å
189	N	96.1	Very high	95.4	Very high	75 Å²	75	34.1 Å²	34.1	40%	0.401	19%	0.192	S	C	.	.	S	Bend	trans	56	63.1	-178.8	-56.9	-59.5	0	0	0	111.9	N165 N166 D212 H213	N165-N189 WeakPolarHBondContact CA-O 3.33Å; N165-N189 PolarHBondContact N-O 2.9Å; N166-N189 PolarHBondContact N-O 3.28Å; N189-D212 PolarHBondContact N-O 2.98Å; N189-H213 VanDerWaalsContact OD1-CB 3.24Å; N189-H213 WeakPolarHBondContact OD1-CB 3.38Å
190	N	97.4	Very high	95.4	Very high	7 Å²	7	34.2 Å²	34.2	4%	0.037	19%	0.192	C	C	.	.	S	Bend	trans	-133.5	-170.7	173.4	-83.9	-71	0	0	0	108.6	L163 N166 L168 L187 I192 H213 N214	L163-N190 PolarHBondContact O-ND2 2.92Å; N166-N190 VanDerWaalsContact CA-OD1 3.24Å; N166-N190 WeakPolarHBondContact CA-OD1 3.43Å; N166-N190 WeakPolarHBondContact CB-OD1 3.44Å; N166-N190 PolarHBondContact N-OD1 3.39Å; N166-N190 PolarHBondContact O-OD1 3.4Å; N166-N190 VanDerWaalsContact O-OD1 3.12Å; L168-N190 HydrophobicContact CB-CB 4.01Å; L168-N190 WeakPolarHBondContact CB-OD1 3.46Å; L168-N190 WeakPolarHBondContact CG-OD1 3.46Å; L168-N190 PolarHBondContact N-OD1 2.92Å; L187-N190 PolarHBondContact O-ND2 3.48Å; N190-I192 HydrophobicContact CB-CD1 4.14Å; N190-I192 HydrophobicContact CB-CG1 4.07Å; N190-H213 PolarHBondContact N-O 3.02Å; N190-N214 VanDerWaalsContact CA-OD1 3.3Å; N190-N214 WeakPolarHBondContact CA-OD1 3.48Å; N190-N214 WeakPolarHBondContact CB-OD1 3.3Å; N190-N214 PolarHBondContact N-OD1 2.81Å; N190-N214 PolarHBondContact O-OD1 2.94Å
191	L	96.6	Very high	95.4	Very high	89 Å²	89	34 Å²	34	47%	0.466	19%	0.194	S	C	.	.			trans	-114.6	28.7	-178.2	-61.4	174.3	0	0	0	111.7	L168 Q169 S193 N214	L168-L191 CarbonylContact O-C 3.56Å; L168-L191 VanDerWaalsContact O-CA 3.25Å; L168-L191 WeakPolarHBondContact O-CA 3.3Å; L168-L191 PolarHBondContact O-N 3.03Å; Q169-L191 HydrophobicContact CG-CB 3.72Å; Q169-L191 HydrophobicContact CG-CD1 4.2Å; L191-S193 PolarHBondContact O-N 3.28Å; L191-N214 PolarHBondContact N-OD1 3.2Å
192	I	95.9	Very high	95.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.19	C	C	.	.			trans	-70.6	114.8	-174.8	-54.7	162.6	0	0	0	108.9	L168 I171 L187 N190 S194 L195 N214 P215 L216	L168-I192 HydrophobicContact CB-CG1 4.23Å; L168-I192 WeakPolarHBondContact O-CG1 3.18Å; L168-I192 PolarHBondContact O-N 3.18Å; L168-I192 VanDerWaalsContact O-N 3.1Å; I171-I192 HydrophobicContact CD1-CD1 3.58Å; I171-I192 HydrophobicContact CD1-CG1 4.09Å; I171-I192 HydrophobicContact CD1-CG2 4.47Å; L187-I192 HydrophobicContact CB-CD1 4.2Å; L187-I192 HydrophobicContact CD2-CD1 4.48Å; N190-I192 HydrophobicContact CB-CD1 4.14Å; N190-I192 HydrophobicContact CB-CG1 4.07Å; I192-S194 WeakPolarHBondContact CG2-O 3.25Å; I192-L195 HydrophobicContact CG2-CD2 3.98Å; I192-L195 HydrophobicContact CG2-CG 4.37Å; I192-N214 HydrophobicContact CB-CB 4.21Å; I192-N214 WeakPolarHBondContact CB-OD1 3.44Å; I192-N214 WeakPolarHBondContact CG1-OD1 3.06Å; I192-N214 PolarHBondContact N-OD1 3.41Å; I192-P215 CarbonylContact O-C 3.48Å; I192-P215 VanDerWaalsContact O-CD 3.29Å; I192-P215 WeakPolarHBondContact O-CD 3.39Å; I192-L216 HydrophobicContact CB-CD2 4.31Å; I192-L216 HydrophobicContact CG2-CD2 3.76Å; I192-L216 PolarHBondContact O-N 2.97Å
193	S	93.3	Very high	95.4	Very high	63 Å²	63	33.9 Å²	33.9	44%	0.441	19%	0.19	S	C	.	.			trans	-94.3	-21.2	-177.8	61.6	0	0	0	0	113.9	L191 P215 L216	L191-S193 PolarHBondContact O-N 3.28Å; S193-P215 WeakPolarHBondContact CA-O 2.96Å; S193-L216 CarbonylContact O-C 3.6Å; S193-L216 WeakPolarHBondContact O-CA 3.28Å
194	S	92.9	Very high	95.3	Very high	74 Å²	74	33.4 Å²	33.4	52%	0.517	19%	0.194	S	C	.	.			trans	-158.9	156.8	177.7	61.5	0	0	0	0	111	I192	I192-S194 WeakPolarHBondContact CG2-O 3.25Å
195	L	94.7	Very high	95.3	Very high	12 Å²	12	36.4 Å²	36.4	6%	0.063	21%	0.209	C	C	.	.			trans	-121.8	127.4	176	-69.6	170.5	0	0	0	109.6	I171 I192 V199 F200 L211 L216 L219 T223	I171-L195 HydrophobicContact CD1-CD2 4.29Å; I192-L195 HydrophobicContact CG2-CD2 3.98Å; I192-L195 HydrophobicContact CG2-CG 4.37Å; L195-V199 HydrophobicContact CB-CG1 4.31Å; L195-V199 HydrophobicContact CD2-CG1 4.42Å; L195-F200 HydrophobicContact CD1-CE2 4.13Å; L195-F200 HydrophobicContact CD1-CZ 4.23Å; L195-F200 HydrophobicContact CD2-CZ 4.43Å; L195-L211 HydrophobicContact CD1-CD1 3.96Å; L195-L211 HydrophobicContact CD1-CD2 4.24Å; L195-L216 HydrophobicContact CD1-CD2 4.12Å; L195-L216 HydrophobicContact CG-CD2 3.93Å; L195-L219 HydrophobicContact CD1-CD2 4.43Å; L195-T223 HydrophobicContact CB-CG2 3.71Å; L195-T223 HydrophobicContact CD1-CG2 3.99Å
196	S	93.6	Very high	95.3	Very high	37 Å²	37	36.4 Å²	36.4	26%	0.259	21%	0.209	S	C	.	.			trans	-62.7	143.9	178.6	-67.9	0	0	0	0	111.7	G198 V199	S196-G198 PolarHBondContact O-N 3.29Å; S196-V199 WeakPolarHBondContact O-CB 3.12Å; S196-V199 WeakPolarHBondContact O-CG1 3.4Å; S196-V199 PolarHBondContact O-N 2.94Å
197	P	93	Very high	95.3	Very high	58 Å²	58	38.9 Å²	38.9	38%	0.377	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	127.4	172.7	-27.5	36.1	0	0	0	112.1	V199 E222	P197-V199 VanDerWaalsContact C-N 3.33Å; P197-V199 PolarHBondContact O-N 3.31Å; P197-E222 HydrophobicContact CB-CB 3.98Å
198	G	92.1	Very high	95.2	Very high	14 Å²	14	40.1 Å²	40.1	14%	0.144	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.8	17.9	179.8	0	0	0	0	0	115.7	S196 F200 K201 E222	S196-G198 PolarHBondContact O-N 3.29Å; G198-F200 PolarHBondContact O-N 3Å; G198-F200 VanDerWaalsContact O-N 3.09Å; G198-K201 WeakPolarHBondContact O-CB 3.25Å; G198-K201 PolarHBondContact O-N 3.26Å; G198-E222 PolarHBondContact N-O 2.83Å
199	V	95.9	Very high	95.3	Very high	5 Å²	5	39.8 Å²	39.8	3%	0.03	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-23.4	176.3	67.1	0	0	0	0	113.3	I171 F176 L195 S196 P197	I171-V199 HydrophobicContact CG2-CG2 3.9Å; F176-V199 HydrophobicContact CD2-CG2 4.04Å; F176-V199 HydrophobicContact CE2-CG2 4.25Å; L195-V199 HydrophobicContact CB-CG1 4.31Å; L195-V199 HydrophobicContact CD2-CG1 4.42Å; S196-V199 WeakPolarHBondContact O-CB 3.12Å; S196-V199 WeakPolarHBondContact O-CG1 3.4Å; S196-V199 PolarHBondContact O-N 2.94Å; P197-V199 VanDerWaalsContact C-N 3.33Å; P197-V199 PolarHBondContact O-N 3.31Å
200	F	96.6	Very high	95.3	Very high	1 Å²	1	38.1 Å²	38.1	0%	0.004	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	15.9	178.6	-53.5	-56.3	0	0	0	114.3	F176 L185 L195 G198 D202 L203 L209 T223 F224 F225 L227	F176-F200 AromaticContact CD2-CD1 4Å; F176-F200 HydrophobicContact CD2-CD1 4Å; F176-F200 AromaticContact CD2-CE1 3.96Å; F176-F200 HydrophobicContact CD2-CE1 3.96Å; F176-F200 HydrophobicContact CE2-CD1 4.32Å; F176-F200 AromaticContact CE2-CE1 3.8Å; F176-F200 HydrophobicContact CE2-CE1 3.8Å; L185-F200 HydrophobicContact CD2-CD1 4.3Å; L185-F200 HydrophobicContact CD2-CE1 3.88Å; L195-F200 HydrophobicContact CD1-CE2 4.13Å; L195-F200 HydrophobicContact CD1-CZ 4.23Å; L195-F200 HydrophobicContact CD2-CZ 4.43Å; G198-F200 PolarHBondContact O-N 3Å; G198-F200 VanDerWaalsContact O-N 3.09Å; F200-D202 VanDerWaalsContact C-N 3.29Å; F200-D202 PolarHBondContact O-N 3.47Å; F200-D202 VanDerWaalsContact O-N 3.17Å; F200-L203 HydrophobicContact CB-CD1 4.02Å; F200-L203 HydrophobicContact CB-CG 4.36Å; F200-L203 HydrophobicContact CD1-CD1 3.61Å; F200-L203 HydrophobicContact CG-CD1 4.24Å; F200-L203 WeakPolarHBondContact O-CB 3.42Å; F200-L203 PolarHBondContact O-N 3.17Å; F200-L209 HydrophobicContact CD2-CD2 4.32Å; F200-L209 HydrophobicContact CE1-CD1 4.46Å; F200-L209 HydrophobicContact CE2-CD2 3.92Å; F200-L209 HydrophobicContact CZ-CD1 4.32Å; F200-L209 HydrophobicContact CZ-CD2 4.1Å; F200-T223 WeakPolarHBondContact CD2-O 3.45Å; F200-F224 HydrophobicContact CD2-CD1 4.41Å; F200-F224 HydrophobicContact CE2-CD1 4.49Å; F200-F225 CarbonylContact C-O 3.59Å; F200-L227 HydrophobicContact CB-CD1 4.23Å; F200-L227 HydrophobicContact CB-CD2 3.76Å; F200-L227 HydrophobicContact CB-CG 4.01Å; F200-L227 HydrophobicContact CD2-CD1 4.17Å; F200-L227 HydrophobicContact CG-CD1 4.43Å
201	K	95.1	Very high	95.3	Very high	124 Å²	124	37.8 Å²	37.8	54%	0.539	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-40.5	-169.9	176.5	179.9	172.4	-164.6	0	114.7	G198 L203 F225	G198-K201 WeakPolarHBondContact O-CB 3.25Å; G198-K201 PolarHBondContact O-N 3.26Å; K201-L203 VanDerWaalsContact C-N 3.35Å; K201-F225 VanDerWaalsContact CA-O 3.26Å; K201-F225 WeakPolarHBondContact CA-O 3.24Å; K201-F225 HydrophobicContact CB-CD1 4.26Å; K201-F225 HydrophobicContact CD-CD1 4.38Å; K201-F225 HydrophobicContact CD-CE1 4.25Å; K201-F225 HydrophobicContact CG-CD1 3.91Å; K201-F225 HydrophobicContact CG-CE1 3.99Å; K201-F225 PolarHBondContact N-O 2.93Å
202	D	95.5	Very high	95.2	Very high	35 Å²	35	34.1 Å²	34.1	19%	0.187	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-9.8	-174.9	-63.5	-19.6	0	0	0	112.8	S177 G178 Y180 F200 S204	S177-D202 WeakPolarHBondContact CA-OD2 3.35Å; S177-D202 WeakPolarHBondContact CB-OD2 3.41Å; S177-D202 PolarHBondContact OG-OD2 3.03Å; G178-D202 PolarHBondContact N-OD2 3.47Å; Y180-D202 HydrophobicContact CD1-CB 4.09Å; Y180-D202 WeakPolarHBondContact CD1-O 2.98Å; Y180-D202 HydrophobicContact CE1-CB 3.75Å; F200-D202 VanDerWaalsContact C-N 3.29Å; F200-D202 PolarHBondContact O-N 3.47Å; F200-D202 VanDerWaalsContact O-N 3.17Å; D202-S204 PolarHBondContact O-N 3.15Å
203	L	96.6	Very high	95.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.212	C	C	.	.			trans	-80.9	51.9	-174.8	-53.4	-171.7	0	0	0	112.6	F176 L179 L182 L185 F200 K201 Q205 L206 L227	F176-L203 HydrophobicContact CB-CD1 4.27Å; F176-L203 HydrophobicContact CB-CD2 4.17Å; F176-L203 HydrophobicContact CB-CG 4.44Å; L179-L203 HydrophobicContact CB-CD2 3.57Å; L179-L203 WeakPolarHBondContact O-CD2 3.18Å; L182-L203 HydrophobicContact CB-CD2 4.22Å; L182-L203 HydrophobicContact CD2-CD1 4.25Å; L182-L203 HydrophobicContact CD2-CD2 3.97Å; L185-L203 HydrophobicContact CD2-CD1 4.05Å; F200-L203 HydrophobicContact CB-CD1 4.02Å; F200-L203 HydrophobicContact CB-CG 4.36Å; F200-L203 HydrophobicContact CD1-CD1 3.61Å; F200-L203 HydrophobicContact CG-CD1 4.24Å; F200-L203 WeakPolarHBondContact O-CB 3.42Å; F200-L203 PolarHBondContact O-N 3.17Å; K201-L203 VanDerWaalsContact C-N 3.35Å; L203-Q205 VanDerWaalsContact C-N 3.28Å; L203-Q205 PolarHBondContact O-N 3.42Å; L203-L206 HydrophobicContact CB-CB 3.98Å; L203-L206 HydrophobicContact CB-CD2 4.43Å; L203-L206 HydrophobicContact CD1-CD2 4.06Å; L203-L206 VanDerWaalsContact O-CB 3.32Å; L203-L206 WeakPolarHBondContact O-CB 3.41Å; L203-L206 PolarHBondContact O-N 3.11Å; L203-L206 VanDerWaalsContact O-N 3.16Å; L203-L227 HydrophobicContact CB-CD2 3.95Å
204	S	94.7	Very high	95.4	Very high	47 Å²	47	35.5 Å²	35.5	33%	0.329	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-23.1	-172.1	65.8	0	0	0	0	114.8	D202 S229	D202-S204 PolarHBondContact O-N 3.15Å; S204-S229 WeakPolarHBondContact O-CB 3.24Å; S204-S229 PolarHBondContact O-OG 3.35Å
205	Q	96.5	Very high	95.5	Very high	93 Å²	93	34.9 Å²	34.9	44%	0.435	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	5.1	176	-64.1	-167.8	-7.3	0	0	113.6	Y180 L182 L203 E207	Y180-Q205 WeakPolarHBondContact O-CG 3.26Å; L182-Q205 CarbonylContact O-C 3.57Å; L203-Q205 VanDerWaalsContact C-N 3.28Å; L203-Q205 PolarHBondContact O-N 3.42Å; Q205-E207 PolarHBondContact O-N 3.22Å
206	L	97.4	Very high	95.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.183	C	C	.	.			trans	-68.1	122.3	-178.6	-166.7	76.6	0	0	0	110	L182 L185 L203 L209 L227 S229 L230	L182-L206 HydrophobicContact CD2-CD1 4Å; L182-L206 HydrophobicContact CG-CD1 4.06Å; L182-L206 WeakPolarHBondContact O-CA 3.48Å; L182-L206 PolarHBondContact O-N 2.99Å; L182-L206 VanDerWaalsContact O-N 3.08Å; L185-L206 HydrophobicContact CB-CD1 3.78Å; L185-L206 HydrophobicContact CB-CD2 4.39Å; L203-L206 HydrophobicContact CB-CB 3.98Å; L203-L206 HydrophobicContact CB-CD2 4.43Å; L203-L206 HydrophobicContact CD1-CD2 4.06Å; L203-L206 VanDerWaalsContact O-CB 3.32Å; L203-L206 WeakPolarHBondContact O-CB 3.41Å; L203-L206 PolarHBondContact O-N 3.11Å; L203-L206 VanDerWaalsContact O-N 3.16Å; L206-L209 HydrophobicContact CD2-CB 4.06Å; L206-L209 HydrophobicContact CD2-CD1 4.41Å; L206-L227 HydrophobicContact CB-CD2 4.01Å; L206-L227 HydrophobicContact CD2-CD2 3.68Å; L206-L227 HydrophobicContact CG-CD2 4.47Å; L206-S229 CarbonylContact O-C 3.38Å; L206-L230 HydrophobicContact CB-CD1 4.5Å; L206-L230 HydrophobicContact CD2-CD1 3.99Å; L206-L230 HydrophobicContact CG-CD1 4.05Å; L206-L230 WeakPolarHBondContact O-CA 3.29Å; L206-L230 PolarHBondContact O-N 3.36Å
207	E	95.7	Very high	95.1	Very high	76 Å²	76	35.2 Å²	35.2	36%	0.355	19%	0.189	S	C	.	.			trans	-101.6	-34.7	179.4	-64.8	172.7	-176.1	0	0	110.9	K183 Q205 V231 F232	K183-E207 PolarHBondContact O-N 3.25Å; Q205-E207 PolarHBondContact O-N 3.22Å; E207-V231 PolarHBondContact O-N 2.96Å; E207-F232 PolarHBondContact O-N 2.67Å
208	W	95.1	Very high	94.9	Very high	26 Å²	26	35.7 Å²	35.7	10%	0.098	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	123.9	-173.7	-70.1	49	0	0	0	111.7	F83 T87 K183 K184 L185 F232	F83-W208 AromaticContact CD1-CH2 3.76Å; F83-W208 HydrophobicContact CD1-CH2 3.76Å; F83-W208 AromaticContact CD1-CZ2 3.78Å; F83-W208 HydrophobicContact CD1-CZ2 3.78Å; F83-W208 AromaticContact CE1-CE2 3.84Å; F83-W208 AromaticContact CE1-CH2 3.54Å; F83-W208 HydrophobicContact CE1-CH2 3.54Å; F83-W208 AromaticContact CE1-CZ2 3.23Å; F83-W208 HydrophobicContact CE1-CZ2 3.23Å; F83-W208 HydrophobicContact CE1-CZ3 4.39Å; F83-W208 AromaticContact CZ-CZ2 3.88Å; F83-W208 HydrophobicContact CZ-CZ2 3.88Å; T87-W208 HydrophobicContact CG2-CH2 3.6Å; T87-W208 HydrophobicContact CG2-CZ2 3.92Å; T87-W208 HydrophobicContact CG2-CZ3 3.98Å; T87-W208 WeakPolarHBondContact OG1-CH2 3.39Å; T87-W208 WeakPolarHBondContact OG1-CZ2 3.49Å; K183-W208 PolarHBondContact O-N 3.48Å; K184-W208 HydrophobicContact CB-CB 4.26Å; K184-W208 HydrophobicContact CD-CG 4.39Å; K184-W208 HydrophobicContact CG-CB 4.04Å; K184-W208 HydrophobicContact CG-CG 4.28Å; L185-W208 PolarHBondContact N-O 3.23Å; W208-F232 HydrophobicContact CD2-CB 4.15Å; W208-F232 HydrophobicContact CD2-CD1 4.44Å; W208-F232 HydrophobicContact CD2-CG 4.39Å; W208-F232 HydrophobicContact CE3-CD1 4.15Å; W208-F232 HydrophobicContact CE3-CG 4.37Å; W208-F232 HydrophobicContact CG-CB 4.17Å
209	L	97.1	Very high	94.9	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	120.1	174.8	-179.9	57.3	0	0	0	110.7	L185 F200 L206 L211 F224 L227 L230 F232 L233 S234	L185-L209 HydrophobicContact CB-CD1 4.11Å; L185-L209 HydrophobicContact CD2-CD1 3.96Å; L185-L209 HydrophobicContact CG-CD1 4.03Å; L185-L209 WeakPolarHBondContact O-CA 3.5Å; F200-L209 HydrophobicContact CD2-CD2 4.32Å; F200-L209 HydrophobicContact CE1-CD1 4.46Å; F200-L209 HydrophobicContact CE2-CD2 3.92Å; F200-L209 HydrophobicContact CZ-CD1 4.32Å; F200-L209 HydrophobicContact CZ-CD2 4.1Å; L206-L209 HydrophobicContact CD2-CB 4.06Å; L206-L209 HydrophobicContact CD2-CD1 4.41Å; L209-L211 HydrophobicContact CD1-CG 4.24Å; L209-L211 HydrophobicContact CD2-CD1 4.12Å; L209-L211 HydrophobicContact CG-CD1 4.19Å; L209-L211 HydrophobicContact CG-CG 4.24Å; L209-F224 HydrophobicContact CD2-CD1 4.41Å; L209-F224 HydrophobicContact CD2-CE1 4.25Å; L209-L227 HydrophobicContact CD2-CD1 4.05Å; L209-L230 HydrophobicContact CB-CD1 3.79Å; L209-F232 PolarHBondContact N-O 3.5Å; L209-L233 HydrophobicContact CB-CD1 4.09Å; L209-L233 HydrophobicContact CD2-CD1 3.93Å; L209-L233 HydrophobicContact CG-CD1 3.99Å; L209-S234 PolarHBondContact O-N 3.11Å
210	M	96	Very high	94.6	Very high	40 Å²	40	38.7 Å²	38.7	20%	0.197	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	121.6	175.5	-62.6	-170.4	68.8	0	0	111.1	L185 F186 L187 S188 D212 F232	L185-M210 PolarHBondContact O-N 3.41Å; F186-M210 HydrophobicContact CD1-CB 3.98Å; F186-M210 HydrophobicContact CD1-CG 3.82Å; F186-M210 HydrophobicContact CD1-SD 3.37Å; F186-M210 WeakPolarHBondContact CD1-SD 3.28Å; F186-M210 HydrophobicContact CE1-CG 4.05Å; F186-M210 HydrophobicContact CE1-SD 3.32Å; F186-M210 WeakPolarHBondContact CE1-SD 3.38Å; L187-M210 PolarHBondContact N-O 3.44Å; S188-M210 WeakPolarHBondContact OG-CB 3.47Å; M210-D212 WeakPolarHBondContact CE-OD2 3.45Å; M210-F232 HydrophobicContact CG-CD1 4.44Å; M210-F232 HydrophobicContact CG-CE1 3.92Å; M210-F232 HydrophobicContact SD-CE1 4.3Å
211	L	96.5	Very high	94.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.222	C	C	.	.			trans	-122.5	14.2	-178.2	-72.7	165.2	0	0	0	112.3	L187 L195 L209 N214 L216 F224 S234 M235 T238	L187-L211 HydrophobicContact CB-CD2 3.96Å; L187-L211 HydrophobicContact CD1-CD2 3.82Å; L195-L211 HydrophobicContact CD1-CD1 3.96Å; L195-L211 HydrophobicContact CD1-CD2 4.24Å; L209-L211 HydrophobicContact CD1-CG 4.24Å; L209-L211 HydrophobicContact CD2-CD1 4.12Å; L209-L211 HydrophobicContact CG-CD1 4.19Å; L209-L211 HydrophobicContact CG-CG 4.24Å; L211-N214 WeakPolarHBondContact O-CB 3.43Å; L211-N214 PolarHBondContact O-ND2 2.88Å; L211-L216 HydrophobicContact CB-CD1 4.4Å; L211-F224 HydrophobicContact CD1-CE1 4.5Å; L211-S234 PolarHBondContact N-O 2.92Å; L211-M235 HydrophobicContact CB-CG 4.15Å; L211-M235 HydrophobicContact CD1-CG 4.23Å; L211-M235 HydrophobicContact CD1-SD 4.28Å; L211-T238 WeakPolarHBondContact O-CG2 3.32Å
212	D	96	Very high	93.9	Very high	12 Å²	12	41.1 Å²	41.1	6%	0.064	22%	0.222	C	C	.	.			trans	-58.4	151.5	-170.7	-43	-47.9	0	0	0	113.1	S188 N189 M210 N214 S234 M235 V236	S188-D212 CarbonylContact C-O 3.58Å; S188-D212 WeakPolarHBondContact CA-O 3.44Å; S188-D212 PolarHBondContact OG-OD2 2.78Å; N189-D212 PolarHBondContact N-O 2.98Å; M210-D212 WeakPolarHBondContact CE-OD2 3.45Å; D212-N214 VanDerWaalsContact C-N 3.33Å; D212-N214 PolarHBondContact O-N 2.92Å; D212-N214 PolarHBondContact O-ND2 3.11Å; D212-S234 VanDerWaalsContact CG-OG 3.31Å; D212-S234 VanDerWaalsContact OD1-CB 3.26Å; D212-S234 WeakPolarHBondContact OD1-CB 3.25Å; D212-S234 PolarHBondContact OD1-OG 3.47Å; D212-S234 PolarHBondContact OD2-OG 3.22Å; D212-M235 PolarHBondContact OD1-N 3.47Å; D212-V236 CarbonylContact C-O 3.57Å; D212-V236 VanDerWaalsContact CA-O 3.26Å; D212-V236 WeakPolarHBondContact CA-O 3.41Å; D212-V236 HydrophobicContact CB-CB 4.04Å; D212-V236 WeakPolarHBondContact OD1-CB 3.16Å; D212-V236 PolarHBondContact OD1-N 3.08Å
213	H	96.1	Very high	93.8	Very high	90 Å²	90	39.5 Å²	39.5	42%	0.417	21%	0.213	S	C	.	.	S	Bend	trans	53.9	50	176.8	-54	84.5	0	0	0	111.9	N189 N190 V236 H237	N189-H213 VanDerWaalsContact OD1-CB 3.24Å; N189-H213 WeakPolarHBondContact OD1-CB 3.38Å; N190-H213 PolarHBondContact N-O 3.02Å; H213-V236 PolarHBondContact N-O 3.47Å; H213-H237 AromaticContact NE2-ND1 3.93Å
214	N	96.9	Very high	93.6	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.011	21%	0.214	C	C	.	.			trans	-127.9	135.8	171	-81.8	-76.9	0	0	0	109.9	L187 N190 L191 I192 L211 D212 L216 T238	L187-N214 PolarHBondContact O-ND2 3.5Å; N190-N214 VanDerWaalsContact CA-OD1 3.3Å; N190-N214 WeakPolarHBondContact CA-OD1 3.48Å; N190-N214 WeakPolarHBondContact CB-OD1 3.3Å; N190-N214 PolarHBondContact N-OD1 2.81Å; N190-N214 PolarHBondContact O-OD1 2.94Å; L191-N214 PolarHBondContact N-OD1 3.2Å; I192-N214 HydrophobicContact CB-CB 4.21Å; I192-N214 WeakPolarHBondContact CB-OD1 3.44Å; I192-N214 WeakPolarHBondContact CG1-OD1 3.06Å; I192-N214 PolarHBondContact N-OD1 3.41Å; L211-N214 WeakPolarHBondContact O-CB 3.43Å; L211-N214 PolarHBondContact O-ND2 2.88Å; D212-N214 VanDerWaalsContact C-N 3.33Å; D212-N214 PolarHBondContact O-N 2.92Å; D212-N214 PolarHBondContact O-ND2 3.11Å; N214-L216 HydrophobicContact CB-CG 4.16Å; N214-L216 PolarHBondContact O-N 3.36Å; N214-T238 CarbonylContact O-C 3.06Å; N214-T238 WeakPolarHBondContact O-CA 3.32Å; N214-T238 VanDerWaalsContact O-CB 3.29Å; N214-T238 WeakPolarHBondContact O-CB 3.02Å
215	P	94.9	Very high	93.6	Very high	61 Å²	61	41.7 Å²	41.7	40%	0.396	22%	0.217	S	C	.	.			trans	-76	51.4	-176	33.9	-38.4	0	0	0	114.3	I192 S193 S217	I192-P215 CarbonylContact O-C 3.48Å; I192-P215 VanDerWaalsContact O-CD 3.29Å; I192-P215 WeakPolarHBondContact O-CD 3.39Å; S193-P215 WeakPolarHBondContact CA-O 2.96Å; P215-S217 PolarHBondContact O-N 3.17Å
216	L	92.4	Very high	93.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.201	C	C	.	.			trans	-62.2	-34	-170.7	-70.7	173.3	0	0	0	114.7	I192 S193 L195 L211 N214 S218 T238 L240	I192-L216 HydrophobicContact CB-CD2 4.31Å; I192-L216 HydrophobicContact CG2-CD2 3.76Å; I192-L216 PolarHBondContact O-N 2.97Å; S193-L216 CarbonylContact O-C 3.6Å; S193-L216 WeakPolarHBondContact O-CA 3.28Å; L195-L216 HydrophobicContact CD1-CD2 4.12Å; L195-L216 HydrophobicContact CG-CD2 3.93Å; L211-L216 HydrophobicContact CB-CD1 4.4Å; N214-L216 HydrophobicContact CB-CG 4.16Å; N214-L216 PolarHBondContact O-N 3.36Å; L216-S218 PolarHBondContact O-N 2.86Å; L216-T238 HydrophobicContact CD1-CG2 4.09Å; L216-T238 PolarHBondContact N-O 3.27Å; L216-L240 HydrophobicContact CB-CD2 4.35Å
217	S	86.9	Confident	93.2	Very high	56 Å²	56	37.8 Å²	37.8	39%	0.392	20%	0.201	S	C	.	.			trans	61.3	-42.8	178.8	75.6	0	0	0	0	117.7	P215 T238 Q241	P215-S217 PolarHBondContact O-N 3.17Å; S217-T238 PolarHBondContact N-O 3.36Å; S217-Q241 PolarHBondContact O-N 2.89Å
218	S	88.6	Confident	93.1	Very high	67 Å²	67	43 Å²	43	47%	0.469	22%	0.218	S	C	.	.			trans	-152.4	155	-179.7	67.3	0	0	0	0	112.3	L216	L216-S218 PolarHBondContact O-N 2.86Å
219	L	91.9	Very high	93.2	Very high	22 Å²	22	44 Å²	44	12%	0.115	23%	0.229	C	C	.	.			trans	-130.6	148.3	178.4	-67.2	166.1	0	0	0	109.7	L195 T223 F224 M235 L240 P244	L195-L219 HydrophobicContact CD1-CD2 4.43Å; L219-T223 HydrophobicContact CD2-CG2 4Å; L219-F224 HydrophobicContact CD1-CE2 4.01Å; L219-F224 HydrophobicContact CD1-CZ 3.99Å; L219-F224 HydrophobicContact CD2-CZ 4.31Å; L219-M235 HydrophobicContact CD1-CE 3.85Å; L219-M235 HydrophobicContact CD1-SD 3.67Å; L219-L240 HydrophobicContact CD1-CD1 3.85Å; L219-L240 HydrophobicContact CD1-CD2 3.8Å; L219-L240 HydrophobicContact CG-CD2 3.76Å; L219-P244 HydrophobicContact CB-CG 3.69Å
220	T	90.3	Very high	93.2	Very high	61 Å²	61	44 Å²	44	37%	0.374	23%	0.229	S	C	.	.			trans	-97.5	157.7	174.7	72.4	0	0	0	0	110.6	E222 T223	T220-E222 PolarHBondContact O-N 2.98Å; T220-E222 VanDerWaalsContact O-N 3.14Å; T220-T223 PolarHBondContact N-OG1 2.93Å; T220-T223 VanDerWaalsContact N-OG1 3.15Å; T220-T223 WeakPolarHBondContact O-CB 3.37Å; T220-T223 PolarHBondContact O-N 3.4Å; T220-T223 VanDerWaalsContact O-N 3.14Å; T220-T223 PolarHBondContact O-OG1 3.35Å; T220-T223 PolarHBondContact OG1-N 3.37Å; T220-T223 PolarHBondContact OG1-OG1 3.19Å
221	H	86.9	Confident	93.1	Very high	63 Å²	63	43.9 Å²	43.9	29%	0.292	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-24.5	178	179.8	-95.3	0	0	0	113.4	P246 Q250 H251	H221-P246 PolarHBondContact CD2-O 2.97Å; H221-P246 PolarHBondContact NE2-O 3.07Å; H221-Q250 PolarHBondContact NE2-OE1 3.44Å; H221-H251 AromaticContact CE1-CE1 3.49Å; H221-H251 PolarHBondContact CE1-CE1 3.02Å; H221-H251 VanDerWaalsContact CE1-CE1 3.49Å; H221-H251 AromaticContact ND1-CE1 3.81Å; H221-H251 PolarHBondContact O-ND1 2.96Å
222	E	90.1	Very high	93	Very high	113 Å²	113	44.6 Å²	44.6	53%	0.528	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-0.6	-178.7	-66.4	-176.6	-179.6	0	0	113.5	P197 G198 T220 F224 F225	P197-E222 HydrophobicContact CB-CB 3.98Å; G198-E222 PolarHBondContact N-O 2.83Å; T220-E222 PolarHBondContact O-N 2.98Å; T220-E222 VanDerWaalsContact O-N 3.14Å; E222-F224 VanDerWaalsContact C-N 3.28Å; E222-F224 PolarHBondContact O-N 2.98Å; E222-F225 VanDerWaalsContact O-CB 3.27Å; E222-F225 WeakPolarHBondContact O-CB 3.37Å; E222-F225 PolarHBondContact O-N 3.34Å; E222-F225 VanDerWaalsContact O-N 3.17Å
223	T	92.3	Very high	93	Very high	1 Å²	1	44 Å²	44	1%	0.006	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-40.3	-179	-63.7	0	0	0	0	111.8	L195 F200 L219 T220	L195-T223 HydrophobicContact CB-CG2 3.71Å; L195-T223 HydrophobicContact CD1-CG2 3.99Å; F200-T223 WeakPolarHBondContact CD2-O 3.45Å; L219-T223 HydrophobicContact CD2-CG2 4Å; T220-T223 PolarHBondContact N-OG1 2.93Å; T220-T223 VanDerWaalsContact N-OG1 3.15Å; T220-T223 WeakPolarHBondContact O-CB 3.37Å; T220-T223 PolarHBondContact O-N 3.4Å; T220-T223 VanDerWaalsContact O-N 3.14Å; T220-T223 PolarHBondContact O-OG1 3.35Å; T220-T223 PolarHBondContact OG1-N 3.37Å; T220-T223 PolarHBondContact OG1-OG1 3.19Å
224	F	94.1	Very high	92.9	Very high	5 Å²	5	39.9 Å²	39.9	2%	0.022	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	16.5	-179.5	-55.8	-68	0	0	0	114	F200 L209 L211 L219 E222 G226 L227 L233 M235 F248 H251 M252	F200-F224 HydrophobicContact CD2-CD1 4.41Å; F200-F224 HydrophobicContact CE2-CD1 4.49Å; L209-F224 HydrophobicContact CD2-CD1 4.41Å; L209-F224 HydrophobicContact CD2-CE1 4.25Å; L211-F224 HydrophobicContact CD1-CE1 4.5Å; L219-F224 HydrophobicContact CD1-CE2 4.01Å; L219-F224 HydrophobicContact CD1-CZ 3.99Å; L219-F224 HydrophobicContact CD2-CZ 4.31Å; E222-F224 VanDerWaalsContact C-N 3.28Å; E222-F224 PolarHBondContact O-N 2.98Å; F224-G226 PolarHBondContact O-N 3.39Å; F224-L227 HydrophobicContact CB-CD1 4.01Å; F224-L227 HydrophobicContact CD1-CD1 3.8Å; F224-L227 HydrophobicContact CG-CD1 4.39Å; F224-L227 PolarHBondContact O-N 3.41Å; F224-L233 HydrophobicContact CE1-CD1 4.22Å; F224-L233 HydrophobicContact CE1-CD2 4.14Å; F224-L233 HydrophobicContact CZ-CD2 4.14Å; F224-M235 HydrophobicContact CE1-SD 4.47Å; F224-M235 HydrophobicContact CZ-CE 4.22Å; F224-M235 HydrophobicContact CZ-SD 3.74Å; F224-F248 HydrophobicContact CD2-CE2 4.11Å; F224-F248 HydrophobicContact CD2-CZ 4.47Å; F224-F248 AromaticContact CE2-CE2 3.67Å; F224-F248 HydrophobicContact CE2-CE2 3.67Å; F224-F248 HydrophobicContact CE2-CZ 4.01Å; F224-H251 VanDerWaalsContact O-CB 3.31Å; F224-H251 WeakPolarHBondContact O-CB 3.34Å; F224-M252 HydrophobicContact CB-CE 3.94Å; F224-M252 HydrophobicContact CB-CG 4.12Å; F224-M252 HydrophobicContact CB-SD 3.7Å; F224-M252 HydrophobicContact CD1-SD 4.05Å; F224-M252 HydrophobicContact CD2-CE 3.82Å; F224-M252 HydrophobicContact CD2-SD 4.34Å; F224-M252 HydrophobicContact CG-CE 3.84Å; F224-M252 HydrophobicContact CG-SD 3.76Å
225	F	94.3	Very high	92.9	Very high	87 Å²	87	39.8 Å²	39.8	38%	0.382	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	129.1	178.9	-175.3	-92.2	0	0	0	110.6	F200 K201 E222 H251	F200-F225 CarbonylContact C-O 3.59Å; K201-F225 VanDerWaalsContact CA-O 3.26Å; K201-F225 WeakPolarHBondContact CA-O 3.24Å; K201-F225 HydrophobicContact CB-CD1 4.26Å; K201-F225 HydrophobicContact CD-CD1 4.38Å; K201-F225 HydrophobicContact CD-CE1 4.25Å; K201-F225 HydrophobicContact CG-CD1 3.91Å; K201-F225 HydrophobicContact CG-CE1 3.99Å; K201-F225 PolarHBondContact N-O 2.93Å; E222-F225 VanDerWaalsContact O-CB 3.27Å; E222-F225 WeakPolarHBondContact O-CB 3.37Å; E222-F225 PolarHBondContact O-N 3.34Å; E222-F225 VanDerWaalsContact O-N 3.17Å; F225-H251 AromaticContact CD2-CD2 3.49Å; F225-H251 VanDerWaalsContact CD2-CD2 3.49Å; F225-H251 WeakPolarHBondContact CD2-CD2 3.44Å; F225-H251 AromaticContact CD2-NE2 3.41Å; F225-H251 WeakPolarHBondContact CD2-NE2 3.31Å; F225-H251 AromaticContact CE2-NE2 3.9Å
226	G	89.9	Confident	92.9	Very high	11 Å²	11	37.5 Å²	37.5	11%	0.113	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.4	-16.6	177.8	0	0	0	0	0	115.7	F224 R228	F224-G226 PolarHBondContact O-N 3.39Å; G226-R228 VanDerWaalsContact C-N 3.25Å; G226-R228 PolarHBondContact O-N 2.93Å
227	L	95.6	Very high	93.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.215	C	C	.	.			trans	-77.8	58.9	-173.8	-65.4	-173.7	0	0	0	114.4	F200 L203 L206 L209 F224 S229 L230 H251 M252	F200-L227 HydrophobicContact CB-CD1 4.23Å; F200-L227 HydrophobicContact CB-CD2 3.76Å; F200-L227 HydrophobicContact CB-CG 4.01Å; F200-L227 HydrophobicContact CD2-CD1 4.17Å; F200-L227 HydrophobicContact CG-CD1 4.43Å; L203-L227 HydrophobicContact CB-CD2 3.95Å; L206-L227 HydrophobicContact CB-CD2 4.01Å; L206-L227 HydrophobicContact CD2-CD2 3.68Å; L206-L227 HydrophobicContact CG-CD2 4.47Å; L209-L227 HydrophobicContact CD2-CD1 4.05Å; F224-L227 HydrophobicContact CB-CD1 4.01Å; F224-L227 HydrophobicContact CD1-CD1 3.8Å; F224-L227 HydrophobicContact CG-CD1 4.39Å; F224-L227 PolarHBondContact O-N 3.41Å; L227-S229 VanDerWaalsContact C-N 3.32Å; L227-S229 PolarHBondContact O-N 3.38Å; L227-L230 HydrophobicContact CB-CB 4.13Å; L227-L230 HydrophobicContact CD1-CD2 4Å; L227-L230 PolarHBondContact O-N 3.4Å; L227-H251 CarbonylContact C-O 3.58Å; L227-H251 VanDerWaalsContact C-O 3.29Å; L227-H251 VanDerWaalsContact O-O 3.08Å; L227-M252 HydrophobicContact CB-CG 3.86Å; L227-M252 HydrophobicContact CD1-SD 4.38Å
228	R	93.9	Very high	93.5	Very high	185 Å²	185	38.9 Å²	38.9	70%	0.698	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-28	-172.4	-64.1	-176.7	-176.7	-144.3	0.5	114.5	G226	G226-R228 VanDerWaalsContact C-N 3.25Å; G226-R228 PolarHBondContact O-N 2.93Å
229	S	96.2	Very high	93.8	Very high	48 Å²	48	38 Å²	38	34%	0.336	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	5.6	-175.3	-50.5	0	0	0	0	113.3	S204 L206 L227 V231	S204-S229 WeakPolarHBondContact O-CB 3.24Å; S204-S229 PolarHBondContact O-OG 3.35Å; L206-S229 CarbonylContact O-C 3.38Å; L227-S229 VanDerWaalsContact C-N 3.32Å; L227-S229 PolarHBondContact O-N 3.38Å; S229-V231 WeakPolarHBondContact O-CG2 3.43Å; S229-V231 PolarHBondContact O-N 3.19Å
230	L	96.4	Very high	93.9	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.185	C	C	.	.			trans	-67.7	124.3	-174	-163.6	78.5	0	0	0	110.6	L206 L209 L227 L233 M252 A254 L255	L206-L230 HydrophobicContact CB-CD1 4.5Å; L206-L230 HydrophobicContact CD2-CD1 3.99Å; L206-L230 HydrophobicContact CG-CD1 4.05Å; L206-L230 WeakPolarHBondContact O-CA 3.29Å; L206-L230 PolarHBondContact O-N 3.36Å; L209-L230 HydrophobicContact CB-CD1 3.79Å; L227-L230 HydrophobicContact CB-CB 4.13Å; L227-L230 HydrophobicContact CD1-CD2 4Å; L227-L230 PolarHBondContact O-N 3.4Å; L230-L233 HydrophobicContact CD2-CB 3.99Å; L230-L233 HydrophobicContact CD2-CD1 4.48Å; L230-M252 HydrophobicContact CB-CG 4.44Å; L230-M252 HydrophobicContact CD2-CG 4.11Å; L230-M252 HydrophobicContact CD2-SD 3.46Å; L230-M252 WeakPolarHBondContact CD2-SD 3.34Å; L230-A254 CarbonylContact O-C 3.37Å; L230-L255 HydrophobicContact CD2-CD1 4.14Å; L230-L255 HydrophobicContact CG-CD1 4.38Å; L230-L255 WeakPolarHBondContact O-CA 3.23Å; L230-L255 PolarHBondContact O-N 2.03Å
231	V	93.9	Very high	94	Very high	38 Å²	38	39.3 Å²	39.3	23%	0.23	19%	0.191	C	C	.	.			trans	-105.9	-40.6	-179.8	-177.9	0	0	0	0	110.1	F83 E207 S229 D256 W257	F83-V231 HydrophobicContact CE2-CG1 4.11Å; F83-V231 HydrophobicContact CZ-CG1 4Å; E207-V231 PolarHBondContact O-N 2.96Å; S229-V231 WeakPolarHBondContact O-CG2 3.43Å; S229-V231 PolarHBondContact O-N 3.19Å; V231-D256 HydrophobicContact CG1-CB 3.66Å; V231-D256 PolarHBondContact O-N 3.35Å; V231-W257 PolarHBondContact O-N 3.3Å
232	F	94.2	Very high	94.2	Very high	15 Å²	15	41.7 Å²	41.7	7%	0.066	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	122.6	-175.5	-177.1	-88.3	0	0	0	111.5	F83 E207 W208 L209 M210 W257	F83-F232 HydrophobicContact CD1-CD2 4.14Å; F83-F232 HydrophobicContact CE1-CB 3.94Å; F83-F232 AromaticContact CE1-CD2 3.41Å; F83-F232 HydrophobicContact CE1-CD2 3.41Å; F83-F232 VanDerWaalsContact CE1-CD2 3.41Å; F83-F232 HydrophobicContact CE1-CE2 4.23Å; F83-F232 AromaticContact CE1-CG 3.96Å; F83-F232 HydrophobicContact CE1-CG 3.96Å; F83-F232 HydrophobicContact CZ-CB 4.01Å; F83-F232 HydrophobicContact CZ-CD2 4.1Å; F83-F232 HydrophobicContact CZ-CG 4.48Å; E207-F232 PolarHBondContact O-N 2.67Å; W208-F232 HydrophobicContact CD2-CB 4.15Å; W208-F232 HydrophobicContact CD2-CD1 4.44Å; W208-F232 HydrophobicContact CD2-CG 4.39Å; W208-F232 HydrophobicContact CE3-CD1 4.15Å; W208-F232 HydrophobicContact CE3-CG 4.37Å; W208-F232 HydrophobicContact CG-CB 4.17Å; L209-F232 PolarHBondContact N-O 3.5Å; M210-F232 HydrophobicContact CG-CD1 4.44Å; M210-F232 HydrophobicContact CG-CE1 3.92Å; M210-F232 HydrophobicContact SD-CE1 4.3Å; F232-W257 HydrophobicContact CD2-CB 3.63Å; F232-W257 AromaticContact CD2-CD1 3.57Å; F232-W257 HydrophobicContact CD2-CD2 4.11Å; F232-W257 AromaticContact CD2-CG 3.49Å; F232-W257 HydrophobicContact CD2-CG 3.49Å; F232-W257 VanDerWaalsContact CD2-CG 3.49Å; F232-W257 HydrophobicContact CE2-CB 4.27Å; F232-W257 AromaticContact CE2-CD1 3.31Å; F232-W257 AromaticContact CE2-CD2 3.96Å; F232-W257 HydrophobicContact CE2-CD2 3.96Å; F232-W257 AromaticContact CE2-CE2 3.94Å; F232-W257 AromaticContact CE2-CG 3.61Å; F232-W257 HydrophobicContact CE2-CG 3.61Å; F232-W257 AromaticContact CE2-NE1 3.54Å; F232-W257 HydrophobicContact CG-CB 4.47Å
233	L	96.2	Very high	94.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	121.8	172.5	178.5	58.3	0	0	0	110.3	L209 F224 L230 M235 F248 M252 L255 W257 L258 D259	L209-L233 HydrophobicContact CB-CD1 4.09Å; L209-L233 HydrophobicContact CD2-CD1 3.93Å; L209-L233 HydrophobicContact CG-CD1 3.99Å; F224-L233 HydrophobicContact CE1-CD1 4.22Å; F224-L233 HydrophobicContact CE1-CD2 4.14Å; F224-L233 HydrophobicContact CZ-CD2 4.14Å; L230-L233 HydrophobicContact CD2-CB 3.99Å; L230-L233 HydrophobicContact CD2-CD1 4.48Å; L233-M235 HydrophobicContact CD1-CG 4.07Å; L233-M235 HydrophobicContact CD1-SD 4.38Å; L233-M235 HydrophobicContact CD2-CE 4Å; L233-M235 HydrophobicContact CD2-SD 4.48Å; L233-M235 HydrophobicContact CG-CE 4.36Å; L233-M235 HydrophobicContact CG-CG 4.32Å; L233-F248 HydrophobicContact CD2-CE1 4.22Å; L233-F248 HydrophobicContact CD2-CZ 3.85Å; L233-M252 HydrophobicContact CD2-CE 4.16Å; L233-M252 HydrophobicContact CD2-SD 4.01Å; L233-L255 HydrophobicContact CB-CD1 3.78Å; L233-W257 PolarHBondContact N-O 3.26Å; L233-L258 HydrophobicContact CB-CD1 4.17Å; L233-L258 HydrophobicContact CD2-CD1 3.98Å; L233-L258 HydrophobicContact CG-CD1 4.08Å; L233-D259 PolarHBondContact O-N 2.79Å
234	S	95.6	Very high	94.1	Very high	3 Å²	3	37 Å²	37	2%	0.021	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	125	175.9	-170.3	0	0	0	0	110.9	L209 L211 D212	L209-S234 PolarHBondContact O-N 3.11Å; L211-S234 PolarHBondContact N-O 2.92Å; D212-S234 VanDerWaalsContact CG-OG 3.31Å; D212-S234 VanDerWaalsContact OD1-CB 3.26Å; D212-S234 WeakPolarHBondContact OD1-CB 3.25Å; D212-S234 PolarHBondContact OD1-OG 3.47Å; D212-S234 PolarHBondContact OD2-OG 3.22Å
235	M	95.9	Very high	93.5	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.209	C	C	.	.			trans	-134.3	48.5	177.3	-60.2	-173.3	-66.7	0	0	110.4	L211 D212 L219 F224 L233 T238 L240 F248 D259 L260 N263	L211-M235 HydrophobicContact CB-CG 4.15Å; L211-M235 HydrophobicContact CD1-CG 4.23Å; L211-M235 HydrophobicContact CD1-SD 4.28Å; D212-M235 PolarHBondContact OD1-N 3.47Å; L219-M235 HydrophobicContact CD1-CE 3.85Å; L219-M235 HydrophobicContact CD1-SD 3.67Å; F224-M235 HydrophobicContact CE1-SD 4.47Å; F224-M235 HydrophobicContact CZ-CE 4.22Å; F224-M235 HydrophobicContact CZ-SD 3.74Å; L233-M235 HydrophobicContact CD1-CG 4.07Å; L233-M235 HydrophobicContact CD1-SD 4.38Å; L233-M235 HydrophobicContact CD2-CE 4Å; L233-M235 HydrophobicContact CD2-SD 4.48Å; L233-M235 HydrophobicContact CG-CE 4.36Å; L233-M235 HydrophobicContact CG-CG 4.32Å; M235-T238 HydrophobicContact CB-CG2 4.07Å; M235-T238 WeakPolarHBondContact O-CG2 3.31Å; M235-T238 PolarHBondContact O-OG1 3.3Å; M235-L240 HydrophobicContact CB-CD1 4.27Å; M235-L240 HydrophobicContact CE-CD1 4.01Å; M235-L240 HydrophobicContact SD-CD1 4.21Å; M235-F248 HydrophobicContact CE-CZ 4.02Å; M235-D259 PolarHBondContact N-O 2.92Å; M235-L260 HydrophobicContact CB-CD2 4.16Å; M235-L260 HydrophobicContact CE-CD2 3.48Å; M235-L260 VanDerWaalsContact CE-CD2 3.48Å; M235-N263 PolarHBondContact O-ND2 2.91Å
236	V	95.7	Very high	93.1	Very high	13 Å²	13	42.3 Å²	42.3	8%	0.079	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	136.1	-176.6	173.6	0	0	0	0	110.6	D212 H213 T238 D259 E261	D212-V236 CarbonylContact C-O 3.57Å; D212-V236 VanDerWaalsContact CA-O 3.26Å; D212-V236 WeakPolarHBondContact CA-O 3.41Å; D212-V236 HydrophobicContact CB-CB 4.04Å; D212-V236 WeakPolarHBondContact OD1-CB 3.16Å; D212-V236 PolarHBondContact OD1-N 3.08Å; H213-V236 PolarHBondContact N-O 3.47Å; V236-T238 VanDerWaalsContact C-N 3.32Å; V236-T238 PolarHBondContact O-N 3.47Å; V236-D259 HydrophobicContact CG2-CB 4.12Å; V236-D259 WeakPolarHBondContact CG2-OD1 3.26Å; V236-D259 WeakPolarHBondContact CG2-OD2 3.45Å; V236-E261 CarbonylContact C-O 3.25Å; V236-E261 WeakPolarHBondContact CA-O 3.41Å; V236-E261 HydrophobicContact CG1-CB 4.09Å; V236-E261 HydrophobicContact CG1-CG 4.12Å; V236-E261 HydrophobicContact CG2-CB 4.1Å
237	H	95.6	Very high	93	Very high	84 Å²	84	42.6 Å²	42.6	39%	0.389	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	44.7	179.3	-68.5	92.8	0	0	0	113.6	H213 E261	H213-H237 AromaticContact NE2-ND1 3.93Å; H237-E261 IonicContact CE1-OE1 3.94Å; H237-E261 PolarHBondContact N-O 3.25Å
238	T	95.6	Very high	92.8	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.216	C	C	.	.			trans	-100.8	6.2	-179.1	57.2	0	0	0	0	115.1	L211 N214 L216 S217 M235 V236 L240 N263	L211-T238 WeakPolarHBondContact O-CG2 3.32Å; N214-T238 CarbonylContact O-C 3.06Å; N214-T238 WeakPolarHBondContact O-CA 3.32Å; N214-T238 VanDerWaalsContact O-CB 3.29Å; N214-T238 WeakPolarHBondContact O-CB 3.02Å; L216-T238 HydrophobicContact CD1-CG2 4.09Å; L216-T238 PolarHBondContact N-O 3.27Å; S217-T238 PolarHBondContact N-O 3.36Å; M235-T238 HydrophobicContact CB-CG2 4.07Å; M235-T238 WeakPolarHBondContact O-CG2 3.31Å; M235-T238 PolarHBondContact O-OG1 3.3Å; V236-T238 VanDerWaalsContact C-N 3.32Å; V236-T238 PolarHBondContact O-N 3.47Å; T238-L240 PolarHBondContact O-N 3.09Å; T238-L240 WeakPolarHBondContact OG1-CD1 2.89Å; T238-L240 WeakPolarHBondContact OG1-CG 3.12Å; T238-N263 WeakPolarHBondContact CA-OD1 3.3Å; T238-N263 PolarHBondContact N-OD1 3.11Å; T238-N263 PolarHBondContact OG1-OD1 3.02Å
239	S	94.8	Very high	92.7	Very high	49 Å²	49	34.3 Å²	34.3	34%	0.343	18%	0.183	S	C	.	.			trans	58.6	24.8	-178.4	-60.2	0	0	0	0	114.6	Q241 N263	S239-Q241 PolarHBondContact O-N 2.88Å; S239-N263 PolarHBondContact N-OD1 3.43Å
240	L	94.2	Very high	92.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.19	C	C	.	.			trans	-65.5	126.6	179	-70	170.4	0	0	0	111.3	L216 L219 M235 T238 L260 N263 Q264 I265	L216-L240 HydrophobicContact CB-CD2 4.35Å; L219-L240 HydrophobicContact CD1-CD1 3.85Å; L219-L240 HydrophobicContact CD1-CD2 3.8Å; L219-L240 HydrophobicContact CG-CD2 3.76Å; M235-L240 HydrophobicContact CB-CD1 4.27Å; M235-L240 HydrophobicContact CE-CD1 4.01Å; M235-L240 HydrophobicContact SD-CD1 4.21Å; T238-L240 PolarHBondContact O-N 3.09Å; T238-L240 WeakPolarHBondContact OG1-CD1 2.89Å; T238-L240 WeakPolarHBondContact OG1-CG 3.12Å; L240-L260 HydrophobicContact CD1-CD2 4.38Å; L240-N263 HydrophobicContact CB-CB 4.27Å; L240-N263 PolarHBondContact N-OD1 3.05Å; L240-Q264 CarbonylContact O-C 3.59Å; L240-Q264 VanDerWaalsContact O-CA 3.26Å; L240-Q264 WeakPolarHBondContact O-CA 2.98Å; L240-Q264 PolarHBondContact O-N 2.65Å; L240-I265 PolarHBondContact O-N 2.77Å
241	Q	92.6	Very high	92.4	Very high	110 Å²	110	38.5 Å²	38.5	51%	0.514	20%	0.198	S	C	.	.			trans	-88.1	-25.7	177.5	-61.5	-175.9	21	0	0	113.2	S217 S239 Q264 I265	S217-Q241 PolarHBondContact O-N 2.89Å; S239-Q241 PolarHBondContact O-N 2.88Å; Q241-Q264 HydrophobicContact CG-CB 4.37Å; Q241-I265 WeakPolarHBondContact O-CA 3.38Å
242	Q	91.6	Very high	92.4	Very high	113 Å²	113	36.8 Å²	36.8	53%	0.528	19%	0.187	S	C	.	.			trans	-157.9	154.3	-178.3	61.1	-175.1	5.6	0	0	110.8
243	L	91.6	Very high	92.4	Very high	7 Å²	7	39.2 Å²	39.2	4%	0.037	21%	0.205	C	C	.	.			trans	-86.5	150.2	170.7	-66.3	173.8	0	0	0	110.8	H245 F248 L260 I265 L268 I272	L243-H245 PolarHBondContact O-N 2.94Å; L243-F248 HydrophobicContact CD2-CD2 4.5Å; L243-F248 HydrophobicContact CD2-CE2 4.19Å; L243-F248 HydrophobicContact CD2-CZ 4.45Å; L243-L260 HydrophobicContact CD1-CD1 3.86Å; L243-L260 HydrophobicContact CD2-CD1 3.83Å; L243-L260 HydrophobicContact CD2-CD2 4.13Å; L243-L260 HydrophobicContact CG-CD1 4.34Å; L243-I265 HydrophobicContact CD2-CD1 4.39Å; L243-I265 HydrophobicContact CG-CD1 4.24Å; L243-L268 HydrophobicContact CD1-CD1 4.37Å; L243-I272 HydrophobicContact CB-CG2 3.84Å; L243-I272 HydrophobicContact CD1-CG2 4.02Å
244	P	88.7	Confident	92.3	Very high	10 Å²	10	40.4 Å²	40.4	7%	0.065	22%	0.215	C	C	.	.			trans	-52.2	133.3	172.7	-26	31.2	0	0	0	113	L219 F248	L219-P244 HydrophobicContact CB-CG 3.69Å; P244-F248 HydrophobicContact CB-CD2 4.36Å; P244-F248 HydrophobicContact CG-CD2 4Å; P244-F248 HydrophobicContact CG-CE2 4.21Å
245	H	81.1	Confident	92.2	Very high	129 Å²	129	40.4 Å²	40.4	60%	0.597	21%	0.214	S	C	*	.	S	Bend	trans	-122.2	146.2	177.6	73.4	72.1	0	0	0	111.7	L243 I272	L243-H245 PolarHBondContact O-N 2.94Å; H245-I272 HydrophobicContact CB-CG1 4.49Å
246	P	85.4	Confident	92	Very high	73 Å²	73	42 Å²	42	47%	0.474	22%	0.223	S	C	.	.	S	Bend	cis	-80	168.8	-13.3	34.5	-34.2	0	0	0	112.6	H221	H221-P246 PolarHBondContact CD2-O 2.97Å; H221-P246 PolarHBondContact NE2-O 3.07Å
247	S	87.6	Confident	91.9	Very high	18 Å²	18	41.7 Å²	41.7	13%	0.126	22%	0.22	C	C	.	.			trans	61.4	62.4	163.7	-54.8	0	0	0	0	117.1	C249 Q250 S271	S247-C249 VanDerWaalsContact C-N 3.28Å; S247-C249 PolarHBondContact O-N 3.41Å; S247-C249 VanDerWaalsContact O-N 3.11Å; S247-Q250 VanDerWaalsContact O-CB 3.26Å; S247-Q250 WeakPolarHBondContact O-CB 3.45Å; S247-Q250 PolarHBondContact O-N 3.12Å; S247-S271 PolarHBondContact N-O 3.28Å
248	F	91.9	Very high	91.9	Very high	8 Å²	8	37.7 Å²	37.7	4%	0.035	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-47.9	-44.1	-179.1	-179.3	-110.6	0	0	0	114.5	F224 L233 M235 L243 P244 Q250 M252 L255 L258 I272	F224-F248 HydrophobicContact CD2-CE2 4.11Å; F224-F248 HydrophobicContact CD2-CZ 4.47Å; F224-F248 AromaticContact CE2-CE2 3.67Å; F224-F248 HydrophobicContact CE2-CE2 3.67Å; F224-F248 HydrophobicContact CE2-CZ 4.01Å; L233-F248 HydrophobicContact CD2-CE1 4.22Å; L233-F248 HydrophobicContact CD2-CZ 3.85Å; M235-F248 HydrophobicContact CE-CZ 4.02Å; L243-F248 HydrophobicContact CD2-CD2 4.5Å; L243-F248 HydrophobicContact CD2-CE2 4.19Å; L243-F248 HydrophobicContact CD2-CZ 4.45Å; P244-F248 HydrophobicContact CB-CD2 4.36Å; P244-F248 HydrophobicContact CG-CD2 4Å; P244-F248 HydrophobicContact CG-CE2 4.21Å; F248-Q250 VanDerWaalsContact C-N 3.3Å; F248-Q250 PolarHBondContact O-N 3.27Å; F248-M252 HydrophobicContact CD1-CE 4.21Å; F248-M252 HydrophobicContact CE1-CE 3.78Å; F248-M252 HydrophobicContact CE2-CE 4.35Å; F248-M252 HydrophobicContact CZ-CE 3.87Å; F248-L255 HydrophobicContact CE1-CD2 4.42Å; F248-L258 HydrophobicContact CD1-CD2 4.17Å; F248-L258 HydrophobicContact CE1-CD1 4.01Å; F248-L258 HydrophobicContact CE1-CD2 3.74Å; F248-L258 HydrophobicContact CZ-CD1 4.43Å; F248-I272 HydrophobicContact CB-CG2 4.16Å; F248-I272 PolarHBondContact N-O 3.35Å
249	C	92.8	Very high	91.9	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.014	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-85.6	10.6	-177.3	-56.7	0	0	0	0	114.5	S247 H251 M252 T275 C276	S247-C249 VanDerWaalsContact C-N 3.28Å; S247-C249 PolarHBondContact O-N 3.41Å; S247-C249 VanDerWaalsContact O-N 3.11Å; C249-H251 PolarHBondContact O-N 3.13Å; C249-M252 CarbonylContact O-C 3.4Å; C249-M252 VanDerWaalsContact O-C 3.25Å; C249-M252 PolarHBondContact O-N 3.11Å; C249-T275 PolarHBondContact N-OG1 3.48Å; C249-C276 HydrophobicContact CB-CB 3.87Å; C249-C276 WeakPolarHBondContact CB-SG 3.37Å; C249-C276 VanDerWaalsContact SG-CA 3.57Å; C249-C276 WeakPolarHBondContact SG-CB 3.25Å; C249-C276 CovalentContact SG-SG 2.03Å; C249-C276 PolarHBondContact SG-SG 2.8Å
250	Q	92.6	Very high	92	Very high	103 Å²	103	36.3 Å²	36.3	48%	0.481	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-57.5	-38.8	-177.8	176.7	169.4	-12.5	0	0	112.6	H221 S247 F248 T275	H221-Q250 PolarHBondContact NE2-OE1 3.44Å; S247-Q250 VanDerWaalsContact O-CB 3.26Å; S247-Q250 WeakPolarHBondContact O-CB 3.45Å; S247-Q250 PolarHBondContact O-N 3.12Å; F248-Q250 VanDerWaalsContact C-N 3.3Å; F248-Q250 PolarHBondContact O-N 3.27Å; Q250-T275 HydrophobicContact CB-CG2 4.48Å; Q250-T275 PolarHBondContact N-OG1 3.48Å
251	H	92.7	Very high	92	Very high	34 Å²	34	38.6 Å²	38.6	16%	0.157	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-92.7	-3.3	178.8	-60.2	112.4	0	0	0	113.7	H221 F224 F225 L227 C249 P253	H221-H251 AromaticContact CE1-CE1 3.49Å; H221-H251 PolarHBondContact CE1-CE1 3.02Å; H221-H251 VanDerWaalsContact CE1-CE1 3.49Å; H221-H251 AromaticContact ND1-CE1 3.81Å; H221-H251 PolarHBondContact O-ND1 2.96Å; F224-H251 VanDerWaalsContact O-CB 3.31Å; F224-H251 WeakPolarHBondContact O-CB 3.34Å; F225-H251 AromaticContact CD2-CD2 3.49Å; F225-H251 VanDerWaalsContact CD2-CD2 3.49Å; F225-H251 WeakPolarHBondContact CD2-CD2 3.44Å; F225-H251 AromaticContact CD2-NE2 3.41Å; F225-H251 WeakPolarHBondContact CD2-NE2 3.31Å; F225-H251 AromaticContact CE2-NE2 3.9Å; L227-H251 CarbonylContact C-O 3.58Å; L227-H251 VanDerWaalsContact C-O 3.29Å; L227-H251 VanDerWaalsContact O-O 3.08Å; C249-H251 PolarHBondContact O-N 3.13Å; H251-P253 VanDerWaalsContact C-CD 3.47Å
252	M	94.9	Very high	92.1	Very high	1 Å²	1	34 Å²	34	1%	0.005	18%	0.184	C	C	.	.			trans	-129.4	63.2	-178.4	-60.6	174	-66	0	0	110.3	F224 L227 L230 L233 F248 C249 A254 L255	F224-M252 HydrophobicContact CB-CE 3.94Å; F224-M252 HydrophobicContact CB-CG 4.12Å; F224-M252 HydrophobicContact CB-SD 3.7Å; F224-M252 HydrophobicContact CD1-SD 4.05Å; F224-M252 HydrophobicContact CD2-CE 3.82Å; F224-M252 HydrophobicContact CD2-SD 4.34Å; F224-M252 HydrophobicContact CG-CE 3.84Å; F224-M252 HydrophobicContact CG-SD 3.76Å; L227-M252 HydrophobicContact CB-CG 3.86Å; L227-M252 HydrophobicContact CD1-SD 4.38Å; L230-M252 HydrophobicContact CB-CG 4.44Å; L230-M252 HydrophobicContact CD2-CG 4.11Å; L230-M252 HydrophobicContact CD2-SD 3.46Å; L230-M252 WeakPolarHBondContact CD2-SD 3.34Å; L233-M252 HydrophobicContact CD2-CE 4.16Å; L233-M252 HydrophobicContact CD2-SD 4.01Å; F248-M252 HydrophobicContact CD1-CE 4.21Å; F248-M252 HydrophobicContact CE1-CE 3.78Å; F248-M252 HydrophobicContact CE2-CE 4.35Å; F248-M252 HydrophobicContact CZ-CE 3.87Å; C249-M252 CarbonylContact O-C 3.4Å; C249-M252 VanDerWaalsContact O-C 3.25Å; C249-M252 PolarHBondContact O-N 3.11Å; M252-A254 PolarHBondContact O-N 3.32Å; M252-L255 HydrophobicContact CB-CB 4.21Å; M252-L255 WeakPolarHBondContact O-CB 3.33Å; M252-L255 PolarHBondContact O-N 3.29Å
253	P	93	Very high	92.4	Very high	67 Å²	67	28.9 Å²	28.9	44%	0.435	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-13.7	-173.5	30.5	-37.6	0	0	0	114	H251 K278	H251-P253 VanDerWaalsContact C-CD 3.47Å; P253-K278 WeakPolarHBondContact O-CD 3.29Å
254	A	93.9	Very high	92.6	Very high	25 Å²	25	31 Å²	31	21%	0.207	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-0.1	177.9	0	0	0	0	0	113.7	L230 M252 D256	L230-A254 CarbonylContact O-C 3.37Å; M252-A254 PolarHBondContact O-N 3.32Å; A254-D256 PolarHBondContact O-N 2.89Å
255	L	94.7	Very high	92.9	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.016	17%	0.167	C	C	.	.			trans	-63	127	-172.4	-169	71.5	0	0	0	111.3	L230 L233 F248 M252 L258 K278 L279	L230-L255 HydrophobicContact CD2-CD1 4.14Å; L230-L255 HydrophobicContact CG-CD1 4.38Å; L230-L255 WeakPolarHBondContact O-CA 3.23Å; L230-L255 PolarHBondContact O-N 2.03Å; L233-L255 HydrophobicContact CB-CD1 3.78Å; F248-L255 HydrophobicContact CE1-CD2 4.42Å; M252-L255 HydrophobicContact CB-CB 4.21Å; M252-L255 WeakPolarHBondContact O-CB 3.33Å; M252-L255 PolarHBondContact O-N 3.29Å; L255-L258 HydrophobicContact CD2-CB 4.25Å; L255-L258 HydrophobicContact CD2-CD1 4.49Å; L255-K278 CarbonylContact O-C 3.48Å; L255-L279 HydrophobicContact CD2-CD1 4.16Å; L255-L279 HydrophobicContact CG-CD1 4.06Å; L255-L279 PolarHBondContact O-N 3.22Å
256	D	92	Very high	93.4	Very high	33 Å²	33	29.3 Å²	29.3	18%	0.176	16%	0.161	C	C	.	.			trans	-116.3	-43	-174.1	-171	20.4	0	0	0	111.2	V231 A254 L279 E280 V281	V231-D256 HydrophobicContact CG1-CB 3.66Å; V231-D256 PolarHBondContact O-N 3.35Å; A254-D256 PolarHBondContact O-N 2.89Å; D256-L279 VanDerWaalsContact O-CD1 3.31Å; D256-L279 WeakPolarHBondContact O-CD1 3.38Å; D256-E280 PolarHBondContact O-N 2.66Å; D256-E280 WeakPolarHBondContact OD1-CB 3.08Å; D256-E280 WeakPolarHBondContact OD1-CG 3.49Å; D256-E280 PolarHBondContact OD1-N 3.49Å; D256-V281 PolarHBondContact O-N 3.31Å
257	W	93.7	Very high	93.7	Very high	7 Å²	7	29.4 Å²	29.4	3%	0.027	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	123.7	179.6	-168.4	-63	0	0	0	111.3	L80 F83 V231 F232 L233 V281 L283	L80-W257 HydrophobicContact CB-CH2 4.18Å; L80-W257 HydrophobicContact CD1-CH2 3.87Å; L80-W257 HydrophobicContact CD1-CZ2 3.89Å; F83-W257 HydrophobicContact CB-CZ3 4.26Å; F83-W257 HydrophobicContact CD1-CE3 4.41Å; F83-W257 HydrophobicContact CG-CE3 4.27Å; F83-W257 HydrophobicContact CG-CZ3 4.49Å; V231-W257 PolarHBondContact O-N 3.3Å; F232-W257 HydrophobicContact CD2-CB 3.63Å; F232-W257 AromaticContact CD2-CD1 3.57Å; F232-W257 HydrophobicContact CD2-CD2 4.11Å; F232-W257 AromaticContact CD2-CG 3.49Å; F232-W257 HydrophobicContact CD2-CG 3.49Å; F232-W257 VanDerWaalsContact CD2-CG 3.49Å; F232-W257 HydrophobicContact CE2-CB 4.27Å; F232-W257 AromaticContact CE2-CD1 3.31Å; F232-W257 AromaticContact CE2-CD2 3.96Å; F232-W257 HydrophobicContact CE2-CD2 3.96Å; F232-W257 AromaticContact CE2-CE2 3.94Å; F232-W257 AromaticContact CE2-CG 3.61Å; F232-W257 HydrophobicContact CE2-CG 3.61Å; F232-W257 AromaticContact CE2-NE1 3.54Å; F232-W257 HydrophobicContact CG-CB 4.47Å; L233-W257 PolarHBondContact N-O 3.26Å; W257-V281 HydrophobicContact CB-CB 4.49Å; W257-V281 HydrophobicContact CD2-CB 3.71Å; W257-V281 HydrophobicContact CD2-CG1 3.71Å; W257-V281 HydrophobicContact CD2-CG2 4.1Å; W257-V281 HydrophobicContact CE3-CB 3.7Å; W257-V281 HydrophobicContact CE3-CG1 3.92Å; W257-V281 HydrophobicContact CE3-CG2 3.54Å; W257-V281 HydrophobicContact CG-CB 4.09Å; W257-V281 HydrophobicContact CG-CG1 4.29Å; W257-V281 HydrophobicContact CH2-CG1 4.01Å; W257-V281 HydrophobicContact CH2-CG2 4.41Å; W257-V281 HydrophobicContact CZ2-CG1 3.82Å; W257-V281 HydrophobicContact CZ3-CB 4.18Å; W257-V281 HydrophobicContact CZ3-CG1 4.07Å; W257-V281 HydrophobicContact CZ3-CG2 3.72Å; W257-L283 HydrophobicContact CZ2-CD1 3.9Å
258	L	95.4	Very high	93.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	115	174.8	179.5	57.6	0	0	0	110.8	L233 F248 L255 L260 L279 V281 L282 L283	L233-L258 HydrophobicContact CB-CD1 4.17Å; L233-L258 HydrophobicContact CD2-CD1 3.98Å; L233-L258 HydrophobicContact CG-CD1 4.08Å; F248-L258 HydrophobicContact CD1-CD2 4.17Å; F248-L258 HydrophobicContact CE1-CD1 4.01Å; F248-L258 HydrophobicContact CE1-CD2 3.74Å; F248-L258 HydrophobicContact CZ-CD1 4.43Å; L255-L258 HydrophobicContact CD2-CB 4.25Å; L255-L258 HydrophobicContact CD2-CD1 4.49Å; L258-L260 HydrophobicContact CD1-CD1 4.26Å; L258-L260 HydrophobicContact CD1-CD2 4.18Å; L258-L260 HydrophobicContact CD1-CG 3.99Å; L258-L260 HydrophobicContact CD2-CD1 3.9Å; L258-L260 HydrophobicContact CD2-CG 4.48Å; L258-L260 HydrophobicContact CG-CD1 3.95Å; L258-L260 HydrophobicContact CG-CG 3.99Å; L258-L279 HydrophobicContact CB-CD1 3.79Å; L258-L279 HydrophobicContact CB-CD2 4.49Å; L258-V281 PolarHBondContact N-O 3.18Å; L258-L282 HydrophobicContact CB-CD1 4.22Å; L258-L282 HydrophobicContact CD2-CD1 3.94Å; L258-L282 HydrophobicContact CG-CD1 4.14Å; L258-L283 PolarHBondContact O-N 2.84Å
259	D	95.1	Very high	93.8	Very high	19 Å²	19	31.3 Å²	31.3	10%	0.102	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	119.4	176.1	-162.5	-15.4	0	0	0	112	L233 M235 V236 E261 L283	L233-D259 PolarHBondContact O-N 2.79Å; M235-D259 PolarHBondContact N-O 2.92Å; V236-D259 HydrophobicContact CG2-CB 4.12Å; V236-D259 WeakPolarHBondContact CG2-OD1 3.26Å; V236-D259 WeakPolarHBondContact CG2-OD2 3.45Å; D259-E261 WeakPolarHBondContact OD1-CB 3.49Å; D259-E261 PolarHBondContact OD1-N 2.82Å; D259-L283 HydrophobicContact CB-CD1 4.36Å
260	L	96.2	Very high	93.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.186	C	C	.	.			trans	-129.8	23.4	-177.8	-64.1	170.9	0	0	0	111.5	M235 L240 L243 L258 N263 I265 L283 L284 N287	M235-L260 HydrophobicContact CB-CD2 4.16Å; M235-L260 HydrophobicContact CE-CD2 3.48Å; M235-L260 VanDerWaalsContact CE-CD2 3.48Å; L240-L260 HydrophobicContact CD1-CD2 4.38Å; L243-L260 HydrophobicContact CD1-CD1 3.86Å; L243-L260 HydrophobicContact CD2-CD1 3.83Å; L243-L260 HydrophobicContact CD2-CD2 4.13Å; L243-L260 HydrophobicContact CG-CD1 4.34Å; L258-L260 HydrophobicContact CD1-CD1 4.26Å; L258-L260 HydrophobicContact CD1-CD2 4.18Å; L258-L260 HydrophobicContact CD1-CG 3.99Å; L258-L260 HydrophobicContact CD2-CD1 3.9Å; L258-L260 HydrophobicContact CD2-CG 4.48Å; L258-L260 HydrophobicContact CG-CD1 3.95Å; L258-L260 HydrophobicContact CG-CG 3.99Å; L260-N263 VanDerWaalsContact C-ND2 3.35Å; L260-N263 PolarHBondContact O-ND2 2.75Å; L260-I265 HydrophobicContact CB-CD1 4.24Å; L260-I265 HydrophobicContact CD1-CD1 4.08Å; L260-L283 WeakPolarHBondContact CA-O 3.32Å; L260-L283 WeakPolarHBondContact CB-O 3.13Å; L260-L283 PolarHBondContact N-O 2.83Å; L260-L284 HydrophobicContact CB-CD2 3.91Å; L260-L284 HydrophobicContact CD1-CD2 3.75Å; L260-L284 HydrophobicContact CG-CD2 4.48Å; L260-N287 PolarHBondContact O-ND2 3.29Å
261	E	95.1	Very high	93.6	Very high	48 Å²	48	33.2 Å²	33.2	22%	0.224	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	144.2	176.8	167	175.9	165.1	0	0	113.1	V236 H237 D259 N263 M285	V236-E261 CarbonylContact C-O 3.25Å; V236-E261 WeakPolarHBondContact CA-O 3.41Å; V236-E261 HydrophobicContact CG1-CB 4.09Å; V236-E261 HydrophobicContact CG1-CG 4.12Å; V236-E261 HydrophobicContact CG2-CB 4.1Å; H237-E261 IonicContact CE1-OE1 3.94Å; H237-E261 PolarHBondContact N-O 3.25Å; D259-E261 WeakPolarHBondContact OD1-CB 3.49Å; D259-E261 PolarHBondContact OD1-N 2.82Å; E261-N263 VanDerWaalsContact C-N 3.3Å; E261-N263 PolarHBondContact O-N 2.86Å; E261-N263 PolarHBondContact O-ND2 2.77Å; E261-M285 WeakPolarHBondContact CA-O 3.46Å; E261-M285 HydrophobicContact CB-CG 3.69Å; E261-M285 HydrophobicContact CG-CE 3.97Å; E261-M285 HydrophobicContact CG-CG 3.62Å; E261-M285 HydrophobicContact CG-SD 4.17Å; E261-M285 WeakPolarHBondContact OE1-CE 3.43Å
262	G	95	Very high	93.6	Very high	15 Å²	15	32.1 Å²	32.1	16%	0.155	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	24.7	169	0	0	0	0	0	114.6	M285 D286	G262-M285 PolarHBondContact N-O 2.93Å; G262-D286 WeakPolarHBondContact CA-O 3.26Å
263	N	96.8	Very high	93.5	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.027	18%	0.176	C	C	.	.			trans	-97.3	-172	177.2	-77.4	-61.3	0	0	0	112	M235 T238 S239 L240 L260 E261 I265 N287	M235-N263 PolarHBondContact O-ND2 2.91Å; T238-N263 WeakPolarHBondContact CA-OD1 3.3Å; T238-N263 PolarHBondContact N-OD1 3.11Å; T238-N263 PolarHBondContact OG1-OD1 3.02Å; S239-N263 PolarHBondContact N-OD1 3.43Å; L240-N263 HydrophobicContact CB-CB 4.27Å; L240-N263 PolarHBondContact N-OD1 3.05Å; L260-N263 VanDerWaalsContact C-ND2 3.35Å; L260-N263 PolarHBondContact O-ND2 2.75Å; E261-N263 VanDerWaalsContact C-N 3.3Å; E261-N263 PolarHBondContact O-N 2.86Å; E261-N263 PolarHBondContact O-ND2 2.77Å; N263-I265 HydrophobicContact CB-CD1 4.33Å; N263-I265 HydrophobicContact CB-CG1 4.19Å; N263-N287 WeakPolarHBondContact CA-OD1 3.5Å; N263-N287 WeakPolarHBondContact CB-OD1 2.98Å; N263-N287 PolarHBondContact O-OD1 2.85Å
264	Q	95.9	Very high	93.4	Very high	52 Å²	52	34.4 Å²	34.4	24%	0.243	18%	0.179	C	C	.	.			trans	-117.3	27.1	-177	-56	-175.8	23.7	0	0	111.8	L240 Q241 Q266 N287	L240-Q264 CarbonylContact O-C 3.59Å; L240-Q264 VanDerWaalsContact O-CA 3.26Å; L240-Q264 WeakPolarHBondContact O-CA 2.98Å; L240-Q264 PolarHBondContact O-N 2.65Å; Q241-Q264 HydrophobicContact CG-CB 4.37Å; Q264-Q266 PolarHBondContact O-N 3.36Å; Q264-N287 PolarHBondContact N-OD1 3.29Å
265	I	94.9	Very high	93.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.183	C	C	.	.			trans	-66.7	127.5	-175.3	-58.8	169.2	0	0	0	109.8	L240 Q241 L243 L260 N263 L284 N287 R288 I289	L240-I265 PolarHBondContact O-N 2.77Å; Q241-I265 WeakPolarHBondContact O-CA 3.38Å; L243-I265 HydrophobicContact CD2-CD1 4.39Å; L243-I265 HydrophobicContact CG-CD1 4.24Å; L260-I265 HydrophobicContact CB-CD1 4.24Å; L260-I265 HydrophobicContact CD1-CD1 4.08Å; N263-I265 HydrophobicContact CB-CD1 4.33Å; N263-I265 HydrophobicContact CB-CG1 4.19Å; I265-L284 HydrophobicContact CD1-CD2 4.06Å; I265-N287 HydrophobicContact CB-CB 4.48Å; I265-N287 VanDerWaalsContact CB-OD1 3.31Å; I265-N287 WeakPolarHBondContact CB-OD1 3.48Å; I265-N287 WeakPolarHBondContact CG1-OD1 3.43Å; I265-N287 PolarHBondContact N-OD1 3.28Å; I265-N287 VanDerWaalsContact N-OD1 3.09Å; I265-R288 CarbonylContact O-C 3.22Å; I265-R288 VanDerWaalsContact O-CA 3.3Å; I265-R288 WeakPolarHBondContact O-CA 3.21Å; I265-R288 PolarHBondContact O-N 3.08Å; I265-I289 HydrophobicContact CG2-CG1 4.42Å; I265-I289 WeakPolarHBondContact O-CG1 3.09Å; I265-I289 PolarHBondContact O-N 3.46Å
266	Q	92.8	Very high	93.2	Very high	103 Å²	103	35.4 Å²	35.4	48%	0.481	18%	0.183	S	C	.	.			trans	-101.6	-31.9	-175.4	-61.6	-179.3	29.1	0	0	114.1	Q264 R288 I289 T290	Q264-Q266 PolarHBondContact O-N 3.36Å; Q266-R288 HydrophobicContact CG-CB 4.36Å; Q266-I289 WeakPolarHBondContact O-CA 3.25Å; Q266-T290 PolarHBondContact O-N 2.73Å
267	T	90.1	Very high	93.2	Very high	74 Å²	74	36 Å²	36	45%	0.454	19%	0.19	S	C	.	.	B	Isolated β-bridge	trans	-137	144.3	-173.8	57.4	0	0	0	0	110.7
268	L	91	Very high	93.1	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.01	21%	0.211	C	C	.	.			trans	-135	123.8	174.8	-170.6	70.5	0	0	0	108.1	L243 L273 L284 P293 T296 F297	L243-L268 HydrophobicContact CD1-CD1 4.37Å; L268-L273 HydrophobicContact CD1-CD1 3.86Å; L268-L273 HydrophobicContact CD1-CG 4.17Å; L268-L273 HydrophobicContact CD2-CD1 3.9Å; L268-L273 HydrophobicContact CG-CD1 3.96Å; L268-L284 HydrophobicContact CD2-CD1 3.78Å; L268-P293 WeakPolarHBondContact O-CD 2.97Å; L268-T296 HydrophobicContact CB-CG2 4.3Å; L268-T296 HydrophobicContact CD2-CG2 3.93Å; L268-T296 HydrophobicContact CG-CG2 3.8Å; L268-F297 HydrophobicContact CD2-CE1 3.68Å; L268-F297 HydrophobicContact CD2-CZ 4.09Å
269	N	90.6	Very high	93	Very high	65 Å²	65	40.7 Å²	40.7	35%	0.348	21%	0.211	S	C	.	.			trans	-129.4	156.2	-175.1	-66.3	-8.4	0	0	0	110.7	S271 I272 P293	N269-S271 PolarHBondContact O-N 3.44Å; N269-S271 VanDerWaalsContact O-N 3.17Å; N269-I272 WeakPolarHBondContact O-CB 3.45Å; N269-I272 PolarHBondContact O-N 3.44Å; N269-P293 WeakPolarHBondContact OD1-CG 3.28Å
270	Y	90.9	Very high	92.8	Very high	90 Å²	90	43.7 Å²	43.7	35%	0.353	22%	0.224	S	C	.	.	H	α-helix	trans	-50.5	-40.2	175.9	165.8	-106.1	0	0	0	113.7	I272 L273 K274 Q298	Y270-I272 PolarHBondContact O-N 3.13Å; Y270-L273 PolarHBondContact O-N 3.08Å; Y270-K274 HydrophobicContact CE1-CD 4.06Å; Y270-K274 HydrophobicContact CE1-CG 4.33Å; Y270-K274 HydrophobicContact CE2-CB 4.38Å; Y270-K274 HydrophobicContact CE2-CG 4.21Å; Y270-K274 WeakPolarHBondContact O-CB 3.4Å; Y270-K274 PolarHBondContact O-N 2.77Å; Y270-K274 WeakPolarHBondContact OH-CE 3.43Å; Y270-Q298 HydrophobicContact CD2-CB 4.33Å; Y270-Q298 HydrophobicContact CE2-CB 4.42Å
271	S	91.3	Very high	92.6	Very high	54 Å²	54	44.3 Å²	44.3	38%	0.378	23%	0.228	S	C	.	.	H	α-helix	trans	-63.2	-25	-178.3	56	0	0	0	0	114.1	S247 N269	S247-S271 PolarHBondContact N-O 3.28Å; N269-S271 PolarHBondContact O-N 3.44Å; N269-S271 VanDerWaalsContact O-N 3.17Å
272	I	92.3	Very high	92.6	Very high	12 Å²	12	42.1 Å²	42.1	6%	0.062	22%	0.217	C	C	.	.	H	α-helix	trans	-75.9	-45	178.3	-59.6	173.4	0	0	0	109.6	L243 H245 F248 N269 Y270	L243-I272 HydrophobicContact CB-CG2 3.84Å; L243-I272 HydrophobicContact CD1-CG2 4.02Å; H245-I272 HydrophobicContact CB-CG1 4.49Å; F248-I272 HydrophobicContact CB-CG2 4.16Å; F248-I272 PolarHBondContact N-O 3.35Å; N269-I272 WeakPolarHBondContact O-CB 3.45Å; N269-I272 PolarHBondContact O-N 3.44Å; Y270-I272 PolarHBondContact O-N 3.13Å
273	L	92.7	Very high	92.6	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-96.8	2.4	-171.9	-62.5	176.1	0	0	0	114.4	L268 Y270 T275 C276 L282 F297 S299 L300	L268-L273 HydrophobicContact CD1-CD1 3.86Å; L268-L273 HydrophobicContact CD1-CG 4.17Å; L268-L273 HydrophobicContact CD2-CD1 3.9Å; L268-L273 HydrophobicContact CG-CD1 3.96Å; Y270-L273 PolarHBondContact O-N 3.08Å; L273-T275 PolarHBondContact O-N 3.22Å; L273-T275 VanDerWaalsContact O-N 3.1Å; L273-C276 WeakPolarHBondContact O-CB 3.3Å; L273-C276 PolarHBondContact O-N 3.41Å; L273-L282 HydrophobicContact CD1-CD2 4.37Å; L273-F297 HydrophobicContact CD1-CD1 4.35Å; L273-F297 HydrophobicContact CD1-CE1 4.48Å; L273-S299 PolarHBondContact O-OG 3.3Å; L273-L300 HydrophobicContact CB-CD2 4.38Å; L273-L300 HydrophobicContact CD1-CD1 4.21Å
274	K	91.8	Very high	92.6	Very high	114 Å²	114	41.9 Å²	41.9	50%	0.496	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-37.1	-174.7	-176.3	176.9	178.5	-174.5	0	113.9	Y270 S299	Y270-K274 HydrophobicContact CE1-CD 4.06Å; Y270-K274 HydrophobicContact CE1-CG 4.33Å; Y270-K274 HydrophobicContact CE2-CB 4.38Å; Y270-K274 HydrophobicContact CE2-CG 4.21Å; Y270-K274 WeakPolarHBondContact O-CB 3.4Å; Y270-K274 PolarHBondContact O-N 2.77Å; Y270-K274 WeakPolarHBondContact OH-CE 3.43Å; K274-S299 WeakPolarHBondContact O-CB 3.39Å
275	T	91.9	Very high	92.5	Very high	47 Å²	47	41.2 Å²	41.2	29%	0.288	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-7.3	-177.6	49	0	0	0	0	114.2	C249 Q250 L273 S277	C249-T275 PolarHBondContact N-OG1 3.48Å; Q250-T275 HydrophobicContact CB-CG2 4.48Å; Q250-T275 PolarHBondContact N-OG1 3.48Å; L273-T275 PolarHBondContact O-N 3.22Å; L273-T275 VanDerWaalsContact O-N 3.1Å; T275-S277 PolarHBondContact O-N 3.43Å
276	C	92.8	Very high	92.5	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.02	23%	0.229	C	C	.	.			trans	-82.4	47.4	-174.6	-54.5	0	0	0	0	112.8	C249 L273 K278 L279 L300	C249-C276 HydrophobicContact CB-CB 3.87Å; C249-C276 WeakPolarHBondContact CB-SG 3.37Å; C249-C276 VanDerWaalsContact SG-CA 3.57Å; C249-C276 WeakPolarHBondContact SG-CB 3.25Å; C249-C276 CovalentContact SG-SG 2.03Å; C249-C276 PolarHBondContact SG-SG 2.8Å; L273-C276 WeakPolarHBondContact O-CB 3.3Å; L273-C276 PolarHBondContact O-N 3.41Å; C276-K278 VanDerWaalsContact C-N 3.29Å; C276-K278 PolarHBondContact O-N 2.87Å; C276-L279 HydrophobicContact CB-CB 4.41Å; C276-L279 WeakPolarHBondContact O-CB 3.48Å; C276-L279 PolarHBondContact O-N 3.27Å; C276-L300 HydrophobicContact CB-CD2 3.74Å; C276-L300 WeakPolarHBondContact O-CD2 3.2Å
277	S	91	Very high	92.7	Very high	46 Å²	46	40.3 Å²	40.3	32%	0.322	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-20	-170.6	61.2	0	0	0	0	115.5	T275 W301	T275-S277 PolarHBondContact O-N 3.43Å; S277-W301 PolarHBondContact O-NE1 3.18Å
278	K	91.6	Very high	92.9	Very high	105 Å²	105	41.8 Å²	41.8	46%	0.457	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-5.1	-179.5	-73.6	-164.4	-177.7	179.2	0	114.6	P253 L255 C276 E280	P253-K278 WeakPolarHBondContact O-CD 3.29Å; L255-K278 CarbonylContact O-C 3.48Å; C276-K278 VanDerWaalsContact C-N 3.29Å; C276-K278 PolarHBondContact O-N 2.87Å; K278-E280 PolarHBondContact O-N 2.98Å
279	L	93	Very high	93.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.205	C	C	.	.			trans	-65	120.3	-172.7	-162.8	76.1	0	0	0	111.1	L255 D256 L258 C276 L282 L300 K302 L303	L255-L279 HydrophobicContact CD2-CD1 4.16Å; L255-L279 HydrophobicContact CG-CD1 4.06Å; L255-L279 PolarHBondContact O-N 3.22Å; D256-L279 VanDerWaalsContact O-CD1 3.31Å; D256-L279 WeakPolarHBondContact O-CD1 3.38Å; L258-L279 HydrophobicContact CB-CD1 3.79Å; L258-L279 HydrophobicContact CB-CD2 4.49Å; C276-L279 HydrophobicContact CB-CB 4.41Å; C276-L279 WeakPolarHBondContact O-CB 3.48Å; C276-L279 PolarHBondContact O-N 3.27Å; L279-L282 HydrophobicContact CD2-CB 3.93Å; L279-L282 HydrophobicContact CD2-CD1 4.21Å; L279-L282 HydrophobicContact CD2-CD2 4.4Å; L279-L282 HydrophobicContact CD2-CG 4.4Å; L279-L300 HydrophobicContact CB-CD2 4.36Å; L279-L300 HydrophobicContact CD2-CD2 4.35Å; L279-K302 CarbonylContact O-C 3.46Å; L279-L303 HydrophobicContact CD2-CD1 4.2Å; L279-L303 HydrophobicContact CG-CD1 4.26Å; L279-L303 WeakPolarHBondContact O-CA 3.07Å; L279-L303 PolarHBondContact O-N 3.27Å
280	E	91.6	Very high	93.2	Very high	81 Å²	81	41.4 Å²	41.4	38%	0.379	21%	0.206	S	C	.	.			trans	-98.1	-29.5	173.7	-62.9	-178.3	-174.2	0	0	112.1	D256 K278 K302 G304 E305	D256-E280 PolarHBondContact O-N 2.66Å; D256-E280 WeakPolarHBondContact OD1-CB 3.08Å; D256-E280 WeakPolarHBondContact OD1-CG 3.49Å; D256-E280 PolarHBondContact OD1-N 3.49Å; K278-E280 PolarHBondContact O-N 2.98Å; E280-K302 HydrophobicContact CG-CB 4.2Å; E280-K302 IonicContact OE1-NZ 3.78Å; E280-G304 WeakPolarHBondContact O-CA 3.44Å; E280-G304 PolarHBondContact O-N 3.22Å; E280-E305 PolarHBondContact O-N 3.35Å
281	V	92	Very high	93.1	Very high	13 Å²	13	46.4 Å²	46.4	8%	0.079	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	124.2	-178.1	-176.4	0	0	0	0	112	D256 W257 L258 L283 E305	D256-V281 PolarHBondContact O-N 3.31Å; W257-V281 HydrophobicContact CB-CB 4.49Å; W257-V281 HydrophobicContact CD2-CB 3.71Å; W257-V281 HydrophobicContact CD2-CG1 3.71Å; W257-V281 HydrophobicContact CD2-CG2 4.1Å; W257-V281 HydrophobicContact CE3-CB 3.7Å; W257-V281 HydrophobicContact CE3-CG1 3.92Å; W257-V281 HydrophobicContact CE3-CG2 3.54Å; W257-V281 HydrophobicContact CG-CB 4.09Å; W257-V281 HydrophobicContact CG-CG1 4.29Å; W257-V281 HydrophobicContact CH2-CG1 4.01Å; W257-V281 HydrophobicContact CH2-CG2 4.41Å; W257-V281 HydrophobicContact CZ2-CG1 3.82Å; W257-V281 HydrophobicContact CZ3-CB 4.18Å; W257-V281 HydrophobicContact CZ3-CG1 4.07Å; W257-V281 HydrophobicContact CZ3-CG2 3.72Å; L258-V281 PolarHBondContact N-O 3.18Å; V281-L283 HydrophobicContact CG1-CD1 4.47Å; V281-L283 HydrophobicContact CG1-CD2 3.98Å; V281-L283 HydrophobicContact CG1-CG 3.97Å; V281-E305 HydrophobicContact CG1-CB 4.19Å; V281-E305 HydrophobicContact CG1-CG 4.32Å; V281-E305 HydrophobicContact CG2-CB 4.19Å
282	L	94.9	Very high	93.1	Very high	2 Å²	2	44 Å²	44	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	110.2	175.6	-179.8	57.6	0	0	0	110.9	L258 L273 L279 L284 F297 L300 L303 E305 L306 N307	L258-L282 HydrophobicContact CB-CD1 4.22Å; L258-L282 HydrophobicContact CD2-CD1 3.94Å; L258-L282 HydrophobicContact CG-CD1 4.14Å; L273-L282 HydrophobicContact CD1-CD2 4.37Å; L279-L282 HydrophobicContact CD2-CB 3.93Å; L279-L282 HydrophobicContact CD2-CD1 4.21Å; L279-L282 HydrophobicContact CD2-CD2 4.4Å; L279-L282 HydrophobicContact CD2-CG 4.4Å; L282-L284 HydrophobicContact CD1-CD1 4.07Å; L282-L284 HydrophobicContact CD1-CG 4.05Å; L282-L284 HydrophobicContact CD2-CD1 3.88Å; L282-L284 HydrophobicContact CG-CD1 3.87Å; L282-L284 HydrophobicContact CG-CG 4.16Å; L282-F297 HydrophobicContact CD2-CE1 4.33Å; L282-L300 HydrophobicContact CD2-CD1 4.22Å; L282-L303 HydrophobicContact CB-CD1 3.77Å; L282-E305 PolarHBondContact N-O 3.33Å; L282-L306 HydrophobicContact CB-CD1 4.21Å; L282-L306 HydrophobicContact CD2-CD1 3.99Å; L282-L306 HydrophobicContact CG-CD1 4.14Å; L282-N307 PolarHBondContact O-N 3.32Å
283	L	95	Very high	93	Very high	15 Å²	15	46 Å²	46	8%	0.079	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	115.8	178.3	-51.5	179.5	0	0	0	110	W257 L258 D259 L260 V281 E305 N307	W257-L283 HydrophobicContact CZ2-CD1 3.9Å; L258-L283 PolarHBondContact O-N 2.84Å; D259-L283 HydrophobicContact CB-CD1 4.36Å; L260-L283 WeakPolarHBondContact CA-O 3.32Å; L260-L283 WeakPolarHBondContact CB-O 3.13Å; L260-L283 PolarHBondContact N-O 2.83Å; V281-L283 HydrophobicContact CG1-CD1 4.47Å; V281-L283 HydrophobicContact CG1-CD2 3.98Å; V281-L283 HydrophobicContact CG1-CG 3.97Å; L283-E305 HydrophobicContact CD2-CG 4.38Å; L283-N307 HydrophobicContact CD2-CB 3.67Å
284	L	95.8	Very high	92.7	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	25%	0.25	C	C	.	.			trans	-127.9	24.1	-179.2	-75.5	164.5	0	0	0	110.9	L260 I265 L268 L282 N287 I289 N307 L308 N311	L260-L284 HydrophobicContact CB-CD2 3.91Å; L260-L284 HydrophobicContact CD1-CD2 3.75Å; L260-L284 HydrophobicContact CG-CD2 4.48Å; I265-L284 HydrophobicContact CD1-CD2 4.06Å; L268-L284 HydrophobicContact CD2-CD1 3.78Å; L282-L284 HydrophobicContact CD1-CD1 4.07Å; L282-L284 HydrophobicContact CD1-CG 4.05Å; L282-L284 HydrophobicContact CD2-CD1 3.88Å; L282-L284 HydrophobicContact CG-CD1 3.87Å; L282-L284 HydrophobicContact CG-CG 4.16Å; L284-N287 PolarHBondContact O-ND2 3.41Å; L284-I289 HydrophobicContact CB-CD1 4.25Å; L284-I289 HydrophobicContact CD1-CD1 4.28Å; L284-I289 HydrophobicContact CD2-CD1 4.44Å; L284-N307 CarbonylContact C-O 3.57Å; L284-N307 WeakPolarHBondContact CA-O 3.18Å; L284-N307 WeakPolarHBondContact CB-O 3.29Å; L284-N307 PolarHBondContact N-O 3.3Å; L284-L308 HydrophobicContact CB-CD2 4.06Å; L284-L308 HydrophobicContact CD1-CD2 3.98Å; L284-N311 PolarHBondContact O-ND2 3.1Å
285	M	94.1	Very high	92.4	Very high	37 Å²	37	50.4 Å²	50.4	18%	0.182	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	152.2	-179.6	55.8	176.7	-81.9	0	0	112.1	E261 G262 N287 S309	E261-M285 WeakPolarHBondContact CA-O 3.46Å; E261-M285 HydrophobicContact CB-CG 3.69Å; E261-M285 HydrophobicContact CG-CE 3.97Å; E261-M285 HydrophobicContact CG-CG 3.62Å; E261-M285 HydrophobicContact CG-SD 4.17Å; E261-M285 WeakPolarHBondContact OE1-CE 3.43Å; G262-M285 PolarHBondContact N-O 2.93Å; M285-N287 VanDerWaalsContact C-N 3.31Å; M285-N287 PolarHBondContact O-N 3.33Å; M285-N287 PolarHBondContact O-ND2 3.15Å; M285-S309 CarbonylContact C-O 3.6Å; M285-S309 WeakPolarHBondContact CA-O 3.26Å; M285-S309 VanDerWaalsContact CB-OG 3.29Å; M285-S309 WeakPolarHBondContact CB-OG 3.21Å
286	D	95	Very high	92.4	Very high	77 Å²	77	48.3 Å²	48.3	41%	0.412	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	45.5	177.7	-63.2	-36.4	0	0	0	113.9	G262 S309	G262-D286 WeakPolarHBondContact CA-O 3.26Å; D286-S309 PolarHBondContact N-O 3.34Å
287	N	96.8	Very high	92.4	Very high	7 Å²	7	48.2 Å²	48.2	4%	0.037	23%	0.232	C	C	.	.			trans	-107.1	-168.3	172.3	-86.9	-87.8	0	0	0	111.4	L260 N263 Q264 I265 L284 M285 I289 N311	L260-N287 PolarHBondContact O-ND2 3.29Å; N263-N287 WeakPolarHBondContact CA-OD1 3.5Å; N263-N287 WeakPolarHBondContact CB-OD1 2.98Å; N263-N287 PolarHBondContact O-OD1 2.85Å; Q264-N287 PolarHBondContact N-OD1 3.29Å; I265-N287 HydrophobicContact CB-CB 4.48Å; I265-N287 VanDerWaalsContact CB-OD1 3.31Å; I265-N287 WeakPolarHBondContact CB-OD1 3.48Å; I265-N287 WeakPolarHBondContact CG1-OD1 3.43Å; I265-N287 PolarHBondContact N-OD1 3.28Å; I265-N287 VanDerWaalsContact N-OD1 3.09Å; L284-N287 PolarHBondContact O-ND2 3.41Å; M285-N287 VanDerWaalsContact C-N 3.31Å; M285-N287 PolarHBondContact O-N 3.33Å; M285-N287 PolarHBondContact O-ND2 3.15Å; N287-I289 HydrophobicContact CB-CD1 4.45Å; N287-I289 HydrophobicContact CB-CG1 4.25Å; N287-N311 WeakPolarHBondContact CA-OD1 3.32Å; N287-N311 WeakPolarHBondContact CB-OD1 3.45Å; N287-N311 PolarHBondContact O-OD1 3.04Å
288	R	96	Very high	92.3	Very high	105 Å²	105	50.8 Å²	50.8	40%	0.396	24%	0.239	S	C	.	.			trans	-116.6	28.3	-179.7	-61.7	-176.5	-176.7	176	4.2	112.3	I265 Q266 T290 N311	I265-R288 CarbonylContact O-C 3.22Å; I265-R288 VanDerWaalsContact O-CA 3.3Å; I265-R288 WeakPolarHBondContact O-CA 3.21Å; I265-R288 PolarHBondContact O-N 3.08Å; Q266-R288 HydrophobicContact CG-CB 4.36Å; R288-T290 PolarHBondContact O-N 3.27Å; R288-N311 PolarHBondContact N-OD1 3.43Å
289	I	95.4	Very high	92.2	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.222	C	C	.	.			trans	-66.7	123.6	-174.9	-59.3	170.4	0	0	0	109.1	I265 Q266 L284 N287 I292 L308 N311 R312 I313	I265-I289 HydrophobicContact CG2-CG1 4.42Å; I265-I289 WeakPolarHBondContact O-CG1 3.09Å; I265-I289 PolarHBondContact O-N 3.46Å; Q266-I289 WeakPolarHBondContact O-CA 3.25Å; L284-I289 HydrophobicContact CB-CD1 4.25Å; L284-I289 HydrophobicContact CD1-CD1 4.28Å; L284-I289 HydrophobicContact CD2-CD1 4.44Å; N287-I289 HydrophobicContact CB-CD1 4.45Å; N287-I289 HydrophobicContact CB-CG1 4.25Å; I289-I292 HydrophobicContact CG2-CG1 4.15Å; I289-L308 HydrophobicContact CD1-CD2 4.28Å; I289-N311 HydrophobicContact CB-CB 4.26Å; I289-N311 VanDerWaalsContact CB-OD1 3.29Å; I289-N311 WeakPolarHBondContact CB-OD1 3.33Å; I289-N311 WeakPolarHBondContact CG1-OD1 3.44Å; I289-N311 PolarHBondContact N-OD1 3.48Å; I289-R312 CarbonylContact O-C 3.5Å; I289-R312 WeakPolarHBondContact O-CA 3.44Å; I289-R312 PolarHBondContact O-N 2.89Å; I289-I313 HydrophobicContact CG2-CG1 4.29Å; I289-I313 WeakPolarHBondContact O-CG1 3.45Å; I289-I313 PolarHBondContact O-N 3.37Å
290	T	91.9	Very high	92.1	Very high	59 Å²	59	46.6 Å²	46.6	36%	0.362	22%	0.223	S	C	.	.			trans	-100.8	-34.2	-177	54.7	0	0	0	0	113.5	Q266 R288 R312	Q266-T290 PolarHBondContact O-N 2.73Å; R288-T290 PolarHBondContact O-N 3.27Å; T290-R312 WeakPolarHBondContact CA-O 3.28Å; T290-R312 HydrophobicContact CG2-CB 4.3Å
291	R	87.8	Confident	92	Very high	196 Å²	196	49.9 Å²	49.9	74%	0.74	23%	0.232	S	C	*	.	B	Isolated β-bridge	trans	-143.3	140.5	-176.5	-62	-176.2	-178	-175.2	-0.4	109.7
292	I	91.5	Very high	91.9	Very high	3 Å²	3	53 Å²	53	2%	0.015	24%	0.244	C	C	.	.			trans	-113.7	105.7	170.4	-60.4	177.7	0	0	0	106.4	I289 T296 F297 L308 I313 L316 P317 T320	I289-I292 HydrophobicContact CG2-CG1 4.15Å; I292-T296 HydrophobicContact CG2-CG2 4.32Å; I292-F297 HydrophobicContact CD1-CE2 4.45Å; I292-F297 HydrophobicContact CD1-CZ 4.38Å; I292-F297 HydrophobicContact CG2-CE2 3.79Å; I292-F297 HydrophobicContact CG2-CZ 4.19Å; I292-L308 HydrophobicContact CD1-CD1 3.61Å; I292-L308 HydrophobicContact CD1-CD2 4.26Å; I292-I313 HydrophobicContact CD1-CD1 3.71Å; I292-I313 HydrophobicContact CG1-CD1 4.33Å; I292-L316 HydrophobicContact CD1-CD2 4.09Å; I292-P317 VanDerWaalsContact O-CD 3.25Å; I292-P317 WeakPolarHBondContact O-CD 3.44Å; I292-P317 WeakPolarHBondContact O-CG 3.46Å; I292-T320 HydrophobicContact CG2-CG2 3.88Å
293	P	89.8	Confident	91.8	Very high	55 Å²	55	53 Å²	53	36%	0.357	24%	0.244	S	C	.	.			trans	-59.5	158.3	175.3	-23	33.8	0	0	0	112.5	L268 N269 T296	L268-P293 WeakPolarHBondContact O-CD 2.97Å; N269-P293 WeakPolarHBondContact OD1-CG 3.28Å; P293-T296 WeakPolarHBondContact CD-OG1 3.46Å; P293-T296 WeakPolarHBondContact O-CB 3.4Å; P293-T296 PolarHBondContact O-N 3.17Å; P293-T296 PolarHBondContact O-OG1 3.23Å
294	E	86.2	Confident	91.5	Very high	130 Å²	130	52.9 Å²	52.9	61%	0.607	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	147.1	171.1	-65.4	-175.7	173.4	0	0	110.7	T296 P317	E294-T296 PolarHBondContact O-N 3.44Å; E294-P317 HydrophobicContact CG-CB 3.58Å; E294-P317 HydrophobicContact CG-CG 4.15Å
295	D	87.3	Confident	91.3	Very high	77 Å²	77	54.4 Å²	54.4	41%	0.412	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.7	9.6	178.7	-58.4	-46.2	0	0	0	116.9	F297 Q298	D295-F297 PolarHBondContact O-N 3.11Å; D295-Q298 HydrophobicContact CB-CB 4.16Å; D295-Q298 WeakPolarHBondContact O-CB 3.4Å; D295-Q298 PolarHBondContact O-N 3.03Å
296	T	91	Very high	91.3	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.012	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-38	177.6	-64.5	0	0	0	0	113.1	L268 I292 P293 E294	L268-T296 HydrophobicContact CB-CG2 4.3Å; L268-T296 HydrophobicContact CD2-CG2 3.93Å; L268-T296 HydrophobicContact CG-CG2 3.8Å; I292-T296 HydrophobicContact CG2-CG2 4.32Å; P293-T296 WeakPolarHBondContact CD-OG1 3.46Å; P293-T296 WeakPolarHBondContact O-CB 3.4Å; P293-T296 PolarHBondContact O-N 3.17Å; P293-T296 PolarHBondContact O-OG1 3.23Å; E294-T296 PolarHBondContact O-N 3.44Å
297	F	92.2	Very high	91.3	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.009	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	14.3	-178.2	-52.1	-63.7	0	0	0	114.2	L268 L273 L282 I292 D295 S299 L300 L306 L308 T320 F321 L324	L268-F297 HydrophobicContact CD2-CE1 3.68Å; L268-F297 HydrophobicContact CD2-CZ 4.09Å; L273-F297 HydrophobicContact CD1-CD1 4.35Å; L273-F297 HydrophobicContact CD1-CE1 4.48Å; L282-F297 HydrophobicContact CD2-CE1 4.33Å; I292-F297 HydrophobicContact CD1-CE2 4.45Å; I292-F297 HydrophobicContact CD1-CZ 4.38Å; I292-F297 HydrophobicContact CG2-CE2 3.79Å; I292-F297 HydrophobicContact CG2-CZ 4.19Å; D295-F297 PolarHBondContact O-N 3.11Å; F297-S299 VanDerWaalsContact C-N 3.27Å; F297-S299 PolarHBondContact O-N 3.2Å; F297-L300 HydrophobicContact CB-CD1 4.34Å; F297-L300 HydrophobicContact CD1-CD1 3.8Å; F297-L300 PolarHBondContact O-N 3.47Å; F297-L300 VanDerWaalsContact O-N 3.14Å; F297-L306 HydrophobicContact CD2-CD2 4.47Å; F297-L306 HydrophobicContact CE1-CD1 4.29Å; F297-L306 HydrophobicContact CE1-CD2 4.31Å; F297-L306 HydrophobicContact CE2-CD2 4.04Å; F297-L306 HydrophobicContact CZ-CD1 4.39Å; F297-L306 HydrophobicContact CZ-CD2 3.95Å; F297-L308 HydrophobicContact CZ-CD1 4.29Å; F297-T320 HydrophobicContact CD2-CG2 4.19Å; F297-T320 HydrophobicContact CE2-CG2 4.05Å; F297-F321 HydrophobicContact CD2-CD1 4.49Å; F297-F321 HydrophobicContact CE2-CE1 4.19Å; F297-L324 HydrophobicContact CB-CD1 3.88Å; F297-L324 HydrophobicContact CB-CD2 4.01Å; F297-L324 HydrophobicContact CB-CG 4.09Å; F297-L324 HydrophobicContact CD2-CD1 4.3Å; F297-L324 HydrophobicContact CG-CD1 4.17Å
298	Q	89.8	Confident	91.2	Very high	99 Å²	99	49.5 Å²	49.5	46%	0.463	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-33.4	-173.9	-177.1	177.2	21.2	0	0	114	Y270 D295 L300	Y270-Q298 HydrophobicContact CD2-CB 4.33Å; Y270-Q298 HydrophobicContact CE2-CB 4.42Å; D295-Q298 HydrophobicContact CB-CB 4.16Å; D295-Q298 WeakPolarHBondContact O-CB 3.4Å; D295-Q298 PolarHBondContact O-N 3.03Å; Q298-L300 VanDerWaalsContact C-N 3.34Å
299	S	88.6	Confident	91.2	Very high	16 Å²	16	45 Å²	45	11%	0.112	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-13.5	179.9	48.9	0	0	0	0	114.1	L273 K274 F297 W301	L273-S299 PolarHBondContact O-OG 3.3Å; K274-S299 WeakPolarHBondContact O-CB 3.39Å; F297-S299 VanDerWaalsContact C-N 3.27Å; F297-S299 PolarHBondContact O-N 3.2Å; S299-W301 PolarHBondContact O-N 3.02Å
300	L	91.9	Very high	91.1	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	22%	0.222	C	C	.	.			trans	-93.6	56.3	-170.9	-52.2	-176	0	0	0	112.4	L273 C276 L279 L282 F297 Q298 K302 L303 L324	L273-L300 HydrophobicContact CB-CD2 4.38Å; L273-L300 HydrophobicContact CD1-CD1 4.21Å; C276-L300 HydrophobicContact CB-CD2 3.74Å; C276-L300 WeakPolarHBondContact O-CD2 3.2Å; L279-L300 HydrophobicContact CB-CD2 4.36Å; L279-L300 HydrophobicContact CD2-CD2 4.35Å; L282-L300 HydrophobicContact CD2-CD1 4.22Å; F297-L300 HydrophobicContact CB-CD1 4.34Å; F297-L300 HydrophobicContact CD1-CD1 3.8Å; F297-L300 PolarHBondContact O-N 3.47Å; F297-L300 VanDerWaalsContact O-N 3.14Å; Q298-L300 VanDerWaalsContact C-N 3.34Å; L300-K302 PolarHBondContact O-N 3.16Å; L300-K302 VanDerWaalsContact O-N 3.15Å; L300-L303 HydrophobicContact CB-CB 4Å; L300-L303 HydrophobicContact CB-CD2 4.5Å; L300-L303 HydrophobicContact CD1-CD1 4.4Å; L300-L303 HydrophobicContact CD1-CD2 3.91Å; L300-L303 WeakPolarHBondContact O-CB 3.37Å; L300-L303 PolarHBondContact O-N 3.46Å; L300-L303 VanDerWaalsContact O-N 3.16Å; L300-L324 HydrophobicContact CB-CD2 4.09Å; L300-L324 WeakPolarHBondContact O-CD2 3.26Å
301	W	88.8	Confident	91.3	Very high	151 Å²	151	43.4 Å²	43.4	57%	0.572	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-9.3	-174.7	54	-90.3	0	0	0	114.7	S277 S299 S327	S277-W301 PolarHBondContact O-NE1 3.18Å; S299-W301 PolarHBondContact O-N 3.02Å; W301-S327 VanDerWaalsContact O-CB 3.29Å; W301-S327 WeakPolarHBondContact O-CB 3.44Å; W301-S327 PolarHBondContact O-OG 3.18Å
302	K	90.2	Very high	91.6	Very high	79 Å²	79	41.1 Å²	41.1	34%	0.343	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-7.8	173.7	-77.6	-152.5	168.2	-161	0	114.6	L279 E280 L300 G304	L279-K302 CarbonylContact O-C 3.46Å; E280-K302 HydrophobicContact CG-CB 4.2Å; E280-K302 IonicContact OE1-NZ 3.78Å; L300-K302 PolarHBondContact O-N 3.16Å; L300-K302 VanDerWaalsContact O-N 3.15Å; K302-G304 PolarHBondContact O-N 3.18Å; K302-G304 VanDerWaalsContact O-N 3.08Å
303	L	91.9	Very high	91.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.198	C	C	.	.			trans	-62	117	-169.9	-163.8	73.7	0	0	0	111.2	L279 L282 L300 L306 L324 S327 L328	L279-L303 HydrophobicContact CD2-CD1 4.2Å; L279-L303 HydrophobicContact CG-CD1 4.26Å; L279-L303 WeakPolarHBondContact O-CA 3.07Å; L279-L303 PolarHBondContact O-N 3.27Å; L282-L303 HydrophobicContact CB-CD1 3.77Å; L300-L303 HydrophobicContact CB-CB 4Å; L300-L303 HydrophobicContact CB-CD2 4.5Å; L300-L303 HydrophobicContact CD1-CD1 4.4Å; L300-L303 HydrophobicContact CD1-CD2 3.91Å; L300-L303 WeakPolarHBondContact O-CB 3.37Å; L300-L303 PolarHBondContact O-N 3.46Å; L300-L303 VanDerWaalsContact O-N 3.16Å; L303-L306 HydrophobicContact CD2-CB 3.93Å; L303-L306 HydrophobicContact CD2-CD1 4.28Å; L303-L306 HydrophobicContact CD2-CD2 4.37Å; L303-L306 HydrophobicContact CD2-CG 4.42Å; L303-L324 HydrophobicContact CB-CD2 4.12Å; L303-L324 HydrophobicContact CD2-CD1 4.06Å; L303-L324 HydrophobicContact CD2-CD2 4.36Å; L303-S327 CarbonylContact O-C 3.1Å; L303-S327 VanDerWaalsContact O-CB 3.22Å; L303-S327 WeakPolarHBondContact O-CB 3.5Å; L303-S327 PolarHBondContact O-OG 3.35Å; L303-L328 HydrophobicContact CD2-CD1 4.37Å; L303-L328 HydrophobicContact CG-CD1 4.42Å; L303-L328 VanDerWaalsContact O-CA 3.31Å; L303-L328 WeakPolarHBondContact O-CA 3.37Å; L303-L328 PolarHBondContact O-N 2.9Å
304	G	90.6	Very high	91.7	Very high	13 Å²	13	42.6 Å²	42.6	13%	0.134	20%	0.203	C	C	.	.			trans	-96.4	-36.7	177.7	0	0	0	0	0	112.7	E280 K302 S327 L329 K330	E280-G304 WeakPolarHBondContact O-CA 3.44Å; E280-G304 PolarHBondContact O-N 3.22Å; K302-G304 PolarHBondContact O-N 3.18Å; K302-G304 VanDerWaalsContact O-N 3.08Å; G304-S327 WeakPolarHBondContact CA-O 3.37Å; G304-L329 WeakPolarHBondContact O-CA 3.35Å; G304-L329 PolarHBondContact O-N 3.45Å; G304-K330 PolarHBondContact O-N 3.15Å
305	E	91.7	Very high	91.8	Very high	34 Å²	34	43.5 Å²	43.5	16%	0.159	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	125.2	-179	179.9	161.2	162.3	0	0	111.6	E280 V281 L282 L283 K330	E280-E305 PolarHBondContact O-N 3.35Å; V281-E305 HydrophobicContact CG1-CB 4.19Å; V281-E305 HydrophobicContact CG1-CG 4.32Å; V281-E305 HydrophobicContact CG2-CB 4.19Å; L282-E305 PolarHBondContact N-O 3.33Å; L283-E305 HydrophobicContact CD2-CG 4.38Å; E305-K330 HydrophobicContact CB-CB 4.28Å; E305-K330 HydrophobicContact CG-CB 4.03Å; E305-K330 HydrophobicContact CG-CD 4.35Å; E305-K330 IonicContact OE1-NZ 2.81Å; E305-K330 WeakPolarHBondContact OE2-CD 3.38Å; E305-K330 WeakPolarHBondContact OE2-CE 3.35Å; E305-K330 IonicContact OE2-NZ 3.74Å; E305-K330 PolarHBondContact OE2-NZ 3.13Å
306	L	94.1	Very high	91.9	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	115.8	175	178.6	58.1	0	0	0	110.2	L282 F297 L303 L308 F321 L324 L328 K330 L331 N332	L282-L306 HydrophobicContact CB-CD1 4.21Å; L282-L306 HydrophobicContact CD2-CD1 3.99Å; L282-L306 HydrophobicContact CG-CD1 4.14Å; F297-L306 HydrophobicContact CD2-CD2 4.47Å; F297-L306 HydrophobicContact CE1-CD1 4.29Å; F297-L306 HydrophobicContact CE1-CD2 4.31Å; F297-L306 HydrophobicContact CE2-CD2 4.04Å; F297-L306 HydrophobicContact CZ-CD1 4.39Å; F297-L306 HydrophobicContact CZ-CD2 3.95Å; L303-L306 HydrophobicContact CD2-CB 3.93Å; L303-L306 HydrophobicContact CD2-CD1 4.28Å; L303-L306 HydrophobicContact CD2-CD2 4.37Å; L303-L306 HydrophobicContact CD2-CG 4.42Å; L306-L308 HydrophobicContact CD1-CD1 4.32Å; L306-L308 HydrophobicContact CD1-CD2 4.38Å; L306-L308 HydrophobicContact CD1-CG 4.03Å; L306-L308 HydrophobicContact CD2-CD1 3.97Å; L306-L308 HydrophobicContact CG-CD1 4.08Å; L306-L308 HydrophobicContact CG-CG 4.11Å; L306-F321 HydrophobicContact CD2-CD1 4.26Å; L306-F321 HydrophobicContact CD2-CE1 3.88Å; L306-L324 HydrophobicContact CD2-CD1 4.21Å; L306-L328 HydrophobicContact CB-CD1 3.91Å; L306-K330 PolarHBondContact N-O 3.1Å; L306-L331 HydrophobicContact CB-CD1 4.23Å; L306-L331 HydrophobicContact CD2-CD1 4.07Å; L306-L331 HydrophobicContact CG-CD1 4.21Å; L306-L331 WeakPolarHBondContact O-CA 3.25Å; L306-N332 PolarHBondContact O-N 2.73Å
307	N	94.5	Very high	91.8	Very high	17 Å²	17	41.5 Å²	41.5	9%	0.091	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	116.8	174.4	-168.4	-6.8	0	0	0	111.3	L282 L283 L284 S309 N332	L282-N307 PolarHBondContact O-N 3.32Å; L283-N307 HydrophobicContact CD2-CB 3.67Å; L284-N307 CarbonylContact C-O 3.57Å; L284-N307 WeakPolarHBondContact CA-O 3.18Å; L284-N307 WeakPolarHBondContact CB-O 3.29Å; L284-N307 PolarHBondContact N-O 3.3Å; N307-S309 WeakPolarHBondContact OD1-CB 3.38Å; N307-S309 PolarHBondContact OD1-N 2.99Å; N307-S309 PolarHBondContact OD1-OG 3.21Å; N307-N332 HydrophobicContact CB-CB 4.35Å; N307-N332 WeakPolarHBondContact OD1-CB 3.24Å; N307-N332 PolarHBondContact OD1-ND2 3.34Å
308	L	95.1	Very high	91.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.227	C	C	.	.			trans	-120.5	17.2	177.5	-67.1	165.9	0	0	0	111.5	L284 I289 I292 F297 L306 N311 I313 N332 I333 N336	L284-L308 HydrophobicContact CB-CD2 4.06Å; L284-L308 HydrophobicContact CD1-CD2 3.98Å; I289-L308 HydrophobicContact CD1-CD2 4.28Å; I292-L308 HydrophobicContact CD1-CD1 3.61Å; I292-L308 HydrophobicContact CD1-CD2 4.26Å; F297-L308 HydrophobicContact CZ-CD1 4.29Å; L306-L308 HydrophobicContact CD1-CD1 4.32Å; L306-L308 HydrophobicContact CD1-CD2 4.38Å; L306-L308 HydrophobicContact CD1-CG 4.03Å; L306-L308 HydrophobicContact CD2-CD1 3.97Å; L306-L308 HydrophobicContact CG-CD1 4.08Å; L306-L308 HydrophobicContact CG-CG 4.11Å; L308-N311 PolarHBondContact O-ND2 3.22Å; L308-I313 HydrophobicContact CB-CD1 4.29Å; L308-N332 PolarHBondContact N-O 3.44Å; L308-I333 HydrophobicContact CB-CG2 4.45Å; L308-I333 HydrophobicContact CD1-CG2 4.44Å; L308-N336 PolarHBondContact O-ND2 3Å
309	S	94.6	Very high	90.8	Very high	9 Å²	9	46.8 Å²	46.8	6%	0.063	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	154.3	-176.8	64.7	0	0	0	0	112.9	M285 D286 N307 N311 S334	M285-S309 CarbonylContact C-O 3.6Å; M285-S309 WeakPolarHBondContact CA-O 3.26Å; M285-S309 VanDerWaalsContact CB-OG 3.29Å; M285-S309 WeakPolarHBondContact CB-OG 3.21Å; D286-S309 PolarHBondContact N-O 3.34Å; N307-S309 WeakPolarHBondContact OD1-CB 3.38Å; N307-S309 PolarHBondContact OD1-N 2.99Å; N307-S309 PolarHBondContact OD1-OG 3.21Å; S309-N311 PolarHBondContact O-N 2.63Å; S309-N311 PolarHBondContact O-ND2 3.25Å; S309-S334 CarbonylContact C-O 3.52Å; S309-S334 WeakPolarHBondContact CA-O 3.48Å; S309-S334 WeakPolarHBondContact CB-OG 3.45Å
310	G	93	Very high	90.7	Very high	20 Å²	20	46.4 Å²	46.4	21%	0.206	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	24.8	173.4	0	0	0	0	0	114.6	S334	G310-S334 PolarHBondContact N-O 3.43Å
311	N	96.3	Very high	90.6	Very high	6 Å²	6	46.5 Å²	46.5	3%	0.032	22%	0.22	C	C	.	.	S	Bend	trans	-97.6	-171.4	174.9	-82.9	-82.1	0	0	0	111.5	L284 N287 R288 I289 L308 S309 I313 N336	L284-N311 PolarHBondContact O-ND2 3.1Å; N287-N311 WeakPolarHBondContact CA-OD1 3.32Å; N287-N311 WeakPolarHBondContact CB-OD1 3.45Å; N287-N311 PolarHBondContact O-OD1 3.04Å; R288-N311 PolarHBondContact N-OD1 3.43Å; I289-N311 HydrophobicContact CB-CB 4.26Å; I289-N311 VanDerWaalsContact CB-OD1 3.29Å; I289-N311 WeakPolarHBondContact CB-OD1 3.33Å; I289-N311 WeakPolarHBondContact CG1-OD1 3.44Å; I289-N311 PolarHBondContact N-OD1 3.48Å; L308-N311 PolarHBondContact O-ND2 3.22Å; S309-N311 PolarHBondContact O-N 2.63Å; S309-N311 PolarHBondContact O-ND2 3.25Å; N311-I313 HydrophobicContact CB-CD1 4.14Å; N311-I313 HydrophobicContact CB-CG1 4.05Å; N311-N336 VanDerWaalsContact CA-OD1 3.31Å; N311-N336 WeakPolarHBondContact CA-OD1 3.47Å; N311-N336 WeakPolarHBondContact CB-OD1 3.39Å; N311-N336 PolarHBondContact O-OD1 3.47Å
312	R	94.7	Very high	90.5	Very high	149 Å²	149	44 Å²	44	56%	0.562	21%	0.213	S	C	*	.			trans	-114.3	35.4	-179.3	-61.3	-173.4	-179.6	-172.2	-1.3	112.1	I289 T290 N314 N336	I289-R312 CarbonylContact O-C 3.5Å; I289-R312 WeakPolarHBondContact O-CA 3.44Å; I289-R312 PolarHBondContact O-N 2.89Å; T290-R312 WeakPolarHBondContact CA-O 3.28Å; T290-R312 HydrophobicContact CG2-CB 4.3Å; R312-N314 PolarHBondContact O-N 2.85Å; R312-N336 PolarHBondContact N-OD1 2.98Å
313	I	93.4	Very high	90.3	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	21%	0.213	C	C	.	.			trans	-76.8	117.6	-175.5	-54.7	165.6	0	0	0	109.2	I289 I292 L308 N311 L316 N336 P337 L338	I289-I313 HydrophobicContact CG2-CG1 4.29Å; I289-I313 WeakPolarHBondContact O-CG1 3.45Å; I289-I313 PolarHBondContact O-N 3.37Å; I292-I313 HydrophobicContact CD1-CD1 3.71Å; I292-I313 HydrophobicContact CG1-CD1 4.33Å; L308-I313 HydrophobicContact CB-CD1 4.29Å; N311-I313 HydrophobicContact CB-CD1 4.14Å; N311-I313 HydrophobicContact CB-CG1 4.05Å; I313-L316 HydrophobicContact CG2-CD2 3.91Å; I313-L316 HydrophobicContact CG2-CG 4.25Å; I313-N336 HydrophobicContact CB-CB 4.27Å; I313-N336 VanDerWaalsContact CB-OD1 3.3Å; I313-N336 WeakPolarHBondContact CB-OD1 3.35Å; I313-N336 VanDerWaalsContact CG1-OD1 3.29Å; I313-N336 WeakPolarHBondContact CG1-OD1 3.42Å; I313-N336 PolarHBondContact N-OD1 2.91Å; I313-P337 CarbonylContact O-C 3.29Å; I313-P337 WeakPolarHBondContact O-CD 3.49Å; I313-L338 HydrophobicContact CB-CD2 4.34Å; I313-L338 HydrophobicContact CG2-CD2 3.83Å; I313-L338 WeakPolarHBondContact O-CD2 3.41Å; I313-L338 PolarHBondContact O-N 3.42Å
314	N	89.6	Confident	90.1	Very high	87 Å²	87	43.4 Å²	43.4	47%	0.465	21%	0.214	S	C	.	.			trans	-91.4	-33.2	-179.3	-64.2	-32	0	0	0	113.1	R312 P337 L339	R312-N314 PolarHBondContact O-N 2.85Å; N314-P337 WeakPolarHBondContact OD1-CG 3.26Å; N314-L339 PolarHBondContact O-N 3.11Å
315	E	88.5	Confident	89.7	Confident	148 Å²	148	44 Å²	44	69%	0.692	22%	0.216	S	C	*	.			trans	-145.5	142	-177.6	-175.5	174.7	-168	0	0	110
316	L	89.8	Confident	89.4	Confident	8 Å²	8	51.3 Å²	51.3	4%	0.042	25%	0.247	C	C	.	.			trans	-109.2	124.2	171.1	-70.4	169.8	0	0	0	108.5	I292 I313 F321 I333 L338 H345	I292-L316 HydrophobicContact CD1-CD2 4.09Å; I313-L316 HydrophobicContact CG2-CD2 3.91Å; I313-L316 HydrophobicContact CG2-CG 4.25Å; L316-F321 HydrophobicContact CD1-CE2 4.23Å; L316-F321 HydrophobicContact CD1-CZ 4.35Å; L316-F321 HydrophobicContact CD2-CZ 4.48Å; L316-I333 HydrophobicContact CD1-CD1 4.12Å; L316-L338 HydrophobicContact CD1-CD1 4.09Å; L316-L338 HydrophobicContact CD1-CD2 4.23Å; L316-L338 HydrophobicContact CG-CD2 3.95Å; L316-H345 PolarHBondContact O-NE2 3.45Å
317	P	87.7	Confident	89.1	Confident	29 Å²	29	52.3 Å²	52.3	19%	0.188	26%	0.255	C	S	.	.			trans	-57.7	158.4	173.8	-26	34.4	0	0	0	112.9	I292 E294 N319 T320	I292-P317 VanDerWaalsContact O-CD 3.25Å; I292-P317 WeakPolarHBondContact O-CD 3.44Å; I292-P317 WeakPolarHBondContact O-CG 3.46Å; E294-P317 HydrophobicContact CG-CB 3.58Å; E294-P317 HydrophobicContact CG-CG 4.15Å; P317-N319 PolarHBondContact O-N 2.83Å; P317-T320 WeakPolarHBondContact CD-OG1 3.41Å; P317-T320 PolarHBondContact O-N 3.24Å; P317-T320 PolarHBondContact O-OG1 3.27Å
318	K	81.3	Confident	89	Confident	142 Å²	142	51.5 Å²	51.5	62%	0.617	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	138.7	173.4	-67	177.9	-176.7	172.7	0	108.4	T320	K318-T320 VanDerWaalsContact C-N 3.27Å; K318-T320 PolarHBondContact O-N 3.24Å
319	N	81.3	Confident	88.8	Confident	70 Å²	70	54 Å²	54	37%	0.374	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	14.4	177.3	-51.6	-46	0	0	0	116.3	P317 F321 K322 H348	P317-N319 PolarHBondContact O-N 2.83Å; N319-F321 PolarHBondContact O-N 2.82Å; N319-K322 HydrophobicContact CB-CB 3.8Å; N319-K322 HydrophobicContact CB-CD 4Å; N319-K322 VanDerWaalsContact O-CB 3.23Å; N319-K322 WeakPolarHBondContact O-CB 3.22Å; N319-K322 PolarHBondContact O-N 2.93Å; N319-H348 PolarHBondContact OD1-CE1 3.46Å
320	T	86.9	Confident	88.6	Confident	8 Å²	8	54.3 Å²	54.3	5%	0.049	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.3	-39.9	175.7	-60.8	0	0	0	0	113.3	I292 F297 P317 K318	I292-T320 HydrophobicContact CG2-CG2 3.88Å; F297-T320 HydrophobicContact CD2-CG2 4.19Å; F297-T320 HydrophobicContact CE2-CG2 4.05Å; P317-T320 WeakPolarHBondContact CD-OG1 3.41Å; P317-T320 PolarHBondContact O-N 3.24Å; P317-T320 PolarHBondContact O-OG1 3.27Å; K318-T320 VanDerWaalsContact C-N 3.27Å; K318-T320 PolarHBondContact O-N 3.24Å
321	F	88.9	Confident	88.6	Confident	3 Å²	3	53.4 Å²	53.4	1%	0.013	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	8.5	-178.5	-48.4	-62.1	0	0	0	114.4	F297 L306 L316 N319 N323 L324 S325 L331 I333 L349	F297-F321 HydrophobicContact CD2-CD1 4.49Å; F297-F321 HydrophobicContact CE2-CE1 4.19Å; L306-F321 HydrophobicContact CD2-CD1 4.26Å; L306-F321 HydrophobicContact CD2-CE1 3.88Å; L316-F321 HydrophobicContact CD1-CE2 4.23Å; L316-F321 HydrophobicContact CD1-CZ 4.35Å; L316-F321 HydrophobicContact CD2-CZ 4.48Å; N319-F321 PolarHBondContact O-N 2.82Å; F321-N323 VanDerWaalsContact C-N 3.32Å; F321-N323 PolarHBondContact O-N 3.13Å; F321-L324 HydrophobicContact CD1-CD1 4.23Å; F321-L324 PolarHBondContact O-N 3.18Å; F321-L324 VanDerWaalsContact O-N 3.1Å; F321-S325 PolarHBondContact O-N 3.29Å; F321-L331 HydrophobicContact CD2-CD2 4.1Å; F321-L331 HydrophobicContact CE1-CD1 4.03Å; F321-L331 HydrophobicContact CE2-CD2 3.94Å; F321-L331 HydrophobicContact CG-CD2 4.49Å; F321-L331 HydrophobicContact CZ-CD1 4.09Å; F321-L331 HydrophobicContact CZ-CD2 4.18Å; F321-I333 HydrophobicContact CZ-CG2 4.31Å; F321-L349 HydrophobicContact CB-CD1 4.29Å; F321-L349 HydrophobicContact CB-CD2 3.96Å; F321-L349 HydrophobicContact CB-CG 4.49Å
322	K	86.6	Confident	88.4	Confident	100 Å²	100	54.9 Å²	54.9	44%	0.435	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-60.8	-40.9	-174.3	179.9	-177.6	176.8	-171.9	0	112.4	N319 L324 S325	N319-K322 HydrophobicContact CB-CB 3.8Å; N319-K322 HydrophobicContact CB-CD 4Å; N319-K322 VanDerWaalsContact O-CB 3.23Å; N319-K322 WeakPolarHBondContact O-CB 3.22Å; N319-K322 PolarHBondContact O-N 2.93Å; K322-L324 PolarHBondContact O-N 2.95Å; K322-S325 WeakPolarHBondContact O-CB 3.23Å; K322-S325 PolarHBondContact O-N 2.82Å; K322-S325 PolarHBondContact O-OG 3.1Å
323	N	85.4	Confident	88.4	Confident	64 Å²	64	47.9 Å²	47.9	34%	0.342	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-71.3	-18.9	-179.3	-63	-31.5	0	0	0	112.6	F321	F321-N323 VanDerWaalsContact C-N 3.32Å; F321-N323 PolarHBondContact O-N 3.13Å
324	L	88.3	Confident	88.3	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.005	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-90.9	-0.5	178.2	-52.8	-179.5	0	0	0	113.1	F297 L300 L303 L306 F321 K322 K326 S327 L328	F297-L324 HydrophobicContact CB-CD1 3.88Å; F297-L324 HydrophobicContact CB-CD2 4.01Å; F297-L324 HydrophobicContact CB-CG 4.09Å; F297-L324 HydrophobicContact CD2-CD1 4.3Å; F297-L324 HydrophobicContact CG-CD1 4.17Å; L300-L324 HydrophobicContact CB-CD2 4.09Å; L300-L324 WeakPolarHBondContact O-CD2 3.26Å; L303-L324 HydrophobicContact CB-CD2 4.12Å; L303-L324 HydrophobicContact CD2-CD1 4.06Å; L303-L324 HydrophobicContact CD2-CD2 4.36Å; L306-L324 HydrophobicContact CD2-CD1 4.21Å; F321-L324 HydrophobicContact CD1-CD1 4.23Å; F321-L324 PolarHBondContact O-N 3.18Å; F321-L324 VanDerWaalsContact O-N 3.1Å; K322-L324 PolarHBondContact O-N 2.95Å; L324-K326 PolarHBondContact O-N 3.41Å; L324-S327 PolarHBondContact O-N 2.64Å; L324-S327 VanDerWaalsContact O-N 3.14Å; L324-S327 PolarHBondContact O-OG 3.29Å; L324-L328 HydrophobicContact CB-CB 4.05Å; L324-L328 HydrophobicContact CB-CD2 4.33Å; L324-L328 HydrophobicContact CD1-CD1 4.44Å; L324-L328 HydrophobicContact CD1-CD2 4.37Å; L324-L328 VanDerWaalsContact O-CB 3.3Å; L324-L328 WeakPolarHBondContact O-CB 3.2Å; L324-L328 PolarHBondContact O-N 2.82Å
325	S	83.1	Confident	88.4	Confident	27 Å²	27	50.5 Å²	50.5	19%	0.189	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-29.3	-171.9	47.8	0	0	0	0	116.5	F321 K322 H348	F321-S325 PolarHBondContact O-N 3.29Å; K322-S325 WeakPolarHBondContact O-CB 3.23Å; K322-S325 PolarHBondContact O-N 2.82Å; K322-S325 PolarHBondContact O-OG 3.1Å; S325-H348 WeakPolarHBondContact CB-O 3.36Å
326	K	84.1	Confident	88.6	Confident	186 Å²	186	43.7 Å²	43.7	81%	0.809	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-23.5	-176.8	-64.7	-173.8	-179.7	-178.4	0	113.7	L324	L324-K326 PolarHBondContact O-N 3.41Å
327	S	88.8	Confident	88.5	Confident	23 Å²	23	46.6 Å²	46.6	16%	0.161	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-33	-172.8	60.9	0	0	0	0	112.8	W301 L303 G304 L324 L329	W301-S327 VanDerWaalsContact O-CB 3.29Å; W301-S327 WeakPolarHBondContact O-CB 3.44Å; W301-S327 PolarHBondContact O-OG 3.18Å; L303-S327 CarbonylContact O-C 3.1Å; L303-S327 VanDerWaalsContact O-CB 3.22Å; L303-S327 WeakPolarHBondContact O-CB 3.5Å; L303-S327 PolarHBondContact O-OG 3.35Å; G304-S327 WeakPolarHBondContact CA-O 3.37Å; L324-S327 PolarHBondContact O-N 2.64Å; L324-S327 VanDerWaalsContact O-N 3.14Å; L324-S327 PolarHBondContact O-OG 3.29Å; S327-L329 PolarHBondContact O-N 3.02Å
328	L	91.1	Very high	88.5	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.222	C	C	.	.			trans	-70.6	118	-169.2	-160.5	69.8	0	0	0	111.8	L303 L306 L324 L331 L349 L352	L303-L328 HydrophobicContact CD2-CD1 4.37Å; L303-L328 HydrophobicContact CG-CD1 4.42Å; L303-L328 VanDerWaalsContact O-CA 3.31Å; L303-L328 WeakPolarHBondContact O-CA 3.37Å; L303-L328 PolarHBondContact O-N 2.9Å; L306-L328 HydrophobicContact CB-CD1 3.91Å; L324-L328 HydrophobicContact CB-CB 4.05Å; L324-L328 HydrophobicContact CB-CD2 4.33Å; L324-L328 HydrophobicContact CD1-CD1 4.44Å; L324-L328 HydrophobicContact CD1-CD2 4.37Å; L324-L328 VanDerWaalsContact O-CB 3.3Å; L324-L328 WeakPolarHBondContact O-CB 3.2Å; L324-L328 PolarHBondContact O-N 2.82Å; L328-L331 HydrophobicContact CD2-CB 4.09Å; L328-L331 HydrophobicContact CD2-CD1 4.37Å; L328-L331 HydrophobicContact CD2-CD2 4.46Å; L328-L349 HydrophobicContact CB-CD2 4.48Å; L328-L349 HydrophobicContact CD2-CD1 4.38Å; L328-L349 HydrophobicContact CD2-CD2 4.08Å; L328-L352 HydrophobicContact CB-CD1 4.49Å; L328-L352 HydrophobicContact CD2-CD1 4.16Å; L328-L352 HydrophobicContact CG-CD1 4.03Å
329	L	90.9	Very high	88.4	Confident	52 Å²	52	45.8 Å²	45.8	27%	0.272	23%	0.228	S	C	.	.			trans	-101.3	-36.3	177.3	-58.1	-178.5	0	0	0	111.4	G304 S327 Q351 L352 Q353 S354	G304-L329 WeakPolarHBondContact O-CA 3.35Å; G304-L329 PolarHBondContact O-N 3.45Å; S327-L329 PolarHBondContact O-N 3.02Å; L329-Q351 HydrophobicContact CD2-CB 4.38Å; L329-L352 WeakPolarHBondContact O-CD1 3.25Å; L329-Q353 HydrophobicContact CD2-CG 4.35Å; L329-Q353 PolarHBondContact O-N 2.91Å; L329-S354 PolarHBondContact O-N 3.24Å
330	K	90.6	Very high	88.2	Confident	15 Å²	15	51.8 Å²	51.8	7%	0.065	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	134.8	178.9	-57.3	-161.9	-158.7	158.8	0	112.7	D76 I78 G304 E305 L306 S354	D76-K330 WeakPolarHBondContact O-CE 3.46Å; D76-K330 PolarHBondContact O-NZ 3.28Å; D76-K330 WeakPolarHBondContact OD1-CD 3.44Å; D76-K330 WeakPolarHBondContact OD1-CE 3.4Å; D76-K330 IonicContact OD1-NZ 2.82Å; D76-K330 WeakPolarHBondContact OD2-CD 3.5Å; I78-K330 VanDerWaalsContact O-CE 3.31Å; I78-K330 WeakPolarHBondContact O-CE 3.41Å; I78-K330 PolarHBondContact O-NZ 3.05Å; G304-K330 PolarHBondContact O-N 3.15Å; E305-K330 HydrophobicContact CB-CB 4.28Å; E305-K330 HydrophobicContact CG-CB 4.03Å; E305-K330 HydrophobicContact CG-CD 4.35Å; E305-K330 IonicContact OE1-NZ 2.81Å; E305-K330 WeakPolarHBondContact OE2-CD 3.38Å; E305-K330 WeakPolarHBondContact OE2-CE 3.35Å; E305-K330 IonicContact OE2-NZ 3.74Å; E305-K330 PolarHBondContact OE2-NZ 3.13Å; L306-K330 PolarHBondContact N-O 3.1Å; K330-S354 WeakPolarHBondContact CA-O 3.29Å
331	L	93.1	Very high	88	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	120.2	175.1	178.9	60.8	0	0	0	109.8	L306 F321 L328 I333 F346 L349 L352 S354 L355 A356	L306-L331 HydrophobicContact CB-CD1 4.23Å; L306-L331 HydrophobicContact CD2-CD1 4.07Å; L306-L331 HydrophobicContact CG-CD1 4.21Å; L306-L331 WeakPolarHBondContact O-CA 3.25Å; F321-L331 HydrophobicContact CD2-CD2 4.1Å; F321-L331 HydrophobicContact CE1-CD1 4.03Å; F321-L331 HydrophobicContact CE2-CD2 3.94Å; F321-L331 HydrophobicContact CG-CD2 4.49Å; F321-L331 HydrophobicContact CZ-CD1 4.09Å; F321-L331 HydrophobicContact CZ-CD2 4.18Å; L328-L331 HydrophobicContact CD2-CB 4.09Å; L328-L331 HydrophobicContact CD2-CD1 4.37Å; L328-L331 HydrophobicContact CD2-CD2 4.46Å; L331-I333 HydrophobicContact CD1-CG2 3.87Å; L331-I333 HydrophobicContact CG-CG2 4.16Å; L331-F346 HydrophobicContact CD2-CE1 4.24Å; L331-L349 HydrophobicContact CD2-CD1 3.97Å; L331-L352 HydrophobicContact CB-CD1 3.92Å; L331-L352 HydrophobicContact CB-CD2 4.39Å; L331-S354 PolarHBondContact N-O 3.36Å; L331-L355 HydrophobicContact CB-CD1 4.14Å; L331-L355 HydrophobicContact CD2-CD1 4.07Å; L331-L355 HydrophobicContact CG-CD1 4.18Å; L331-L355 WeakPolarHBondContact O-CA 3.06Å; L331-A356 PolarHBondContact O-N 3.4Å
332	N	93.3	Very high	87.6	Confident	37 Å²	37	57.1 Å²	57.1	20%	0.198	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	118.9	171.4	-172.3	-1.5	0	0	0	110.1	L306 N307 L308 S334 A356	L306-N332 PolarHBondContact O-N 2.73Å; N307-N332 HydrophobicContact CB-CB 4.35Å; N307-N332 WeakPolarHBondContact OD1-CB 3.24Å; N307-N332 PolarHBondContact OD1-ND2 3.34Å; L308-N332 PolarHBondContact N-O 3.44Å; N332-S334 VanDerWaalsContact OD1-CB 3.3Å; N332-S334 WeakPolarHBondContact OD1-CB 3.3Å; N332-S334 PolarHBondContact OD1-N 3.02Å; N332-S334 PolarHBondContact OD1-OG 3.14Å; N332-A356 HydrophobicContact CB-CB 4Å; N332-A356 VanDerWaalsContact OD1-CB 3.28Å; N332-A356 WeakPolarHBondContact OD1-CB 3.12Å
333	I	93.4	Very high	87.1	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.005	26%	0.258	C	S	.	.			trans	-123.6	15.1	174.8	60.3	173.1	0	0	0	111.7	L308 L316 F321 L331 N336 L338 I341 F346 A356 L357 I360	L308-I333 HydrophobicContact CB-CG2 4.45Å; L308-I333 HydrophobicContact CD1-CG2 4.44Å; L316-I333 HydrophobicContact CD1-CD1 4.12Å; F321-I333 HydrophobicContact CZ-CG2 4.31Å; L331-I333 HydrophobicContact CD1-CG2 3.87Å; L331-I333 HydrophobicContact CG-CG2 4.16Å; I333-N336 PolarHBondContact O-ND2 3.08Å; I333-L338 HydrophobicContact CD1-CD1 4.01Å; I333-I341 HydrophobicContact CD1-CD1 4.34Å; I333-F346 HydrophobicContact CD1-CZ 4.43Å; I333-A356 PolarHBondContact N-O 3.42Å; I333-A356 VanDerWaalsContact N-O 3.11Å; I333-L357 HydrophobicContact CD1-CD2 3.52Å; I333-L357 HydrophobicContact CG1-CD2 3.49Å; I333-L357 VanDerWaalsContact CG1-CD2 3.49Å; I333-I360 HydrophobicContact CD1-CD1 4.39Å; I333-I360 HydrophobicContact CG1-CD1 4.04Å; I333-I360 VanDerWaalsContact O-CD1 3.3Å; I333-I360 WeakPolarHBondContact O-CD1 3.35Å
334	S	92.4	Very high	86.8	Confident	3 Å²	3	52 Å²	52	2%	0.021	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	161.5	-174.2	65.8	0	0	0	0	113.5	S309 G310 N332 N336 E358	S309-S334 CarbonylContact C-O 3.52Å; S309-S334 WeakPolarHBondContact CA-O 3.48Å; S309-S334 WeakPolarHBondContact CB-OG 3.45Å; G310-S334 PolarHBondContact N-O 3.43Å; N332-S334 VanDerWaalsContact OD1-CB 3.3Å; N332-S334 WeakPolarHBondContact OD1-CB 3.3Å; N332-S334 PolarHBondContact OD1-N 3.02Å; N332-S334 PolarHBondContact OD1-OG 3.14Å; S334-N336 PolarHBondContact O-N 2.81Å; S334-N336 PolarHBondContact O-ND2 3.37Å; S334-N336 VanDerWaalsContact O-ND2 3.12Å; S334-E358 CarbonylContact C-O 3.55Å; S334-E358 WeakPolarHBondContact CA-O 3.33Å; S334-E358 WeakPolarHBondContact CB-O 3.45Å
335	Y	90.8	Very high	86.5	Confident	142 Å²	142	52.8 Å²	52.8	56%	0.557	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	30.5	176	-57.3	-77	0	0	0	114.4	E358	Y335-E358 HydrophobicContact CE2-CB 3.99Å; Y335-E358 PolarHBondContact N-O 2.94Å
336	N	92.1	Very high	86.6	Confident	5 Å²	5	51.5 Å²	51.5	3%	0.027	25%	0.246	C	C	.	.			trans	-102.8	143.3	168.7	-80.2	-85.4	0	0	0	110.3	L308 N311 R312 I313 I333 S334 L338	L308-N336 PolarHBondContact O-ND2 3Å; N311-N336 VanDerWaalsContact CA-OD1 3.31Å; N311-N336 WeakPolarHBondContact CA-OD1 3.47Å; N311-N336 WeakPolarHBondContact CB-OD1 3.39Å; N311-N336 PolarHBondContact O-OD1 3.47Å; R312-N336 PolarHBondContact N-OD1 2.98Å; I313-N336 HydrophobicContact CB-CB 4.27Å; I313-N336 VanDerWaalsContact CB-OD1 3.3Å; I313-N336 WeakPolarHBondContact CB-OD1 3.35Å; I313-N336 VanDerWaalsContact CG1-OD1 3.29Å; I313-N336 WeakPolarHBondContact CG1-OD1 3.42Å; I313-N336 PolarHBondContact N-OD1 2.91Å; I333-N336 PolarHBondContact O-ND2 3.08Å; S334-N336 PolarHBondContact O-N 2.81Å; S334-N336 PolarHBondContact O-ND2 3.37Å; S334-N336 VanDerWaalsContact O-ND2 3.12Å; N336-L338 HydrophobicContact CB-CD1 4.33Å; N336-L338 HydrophobicContact CB-CG 3.99Å; N336-L338 PolarHBondContact O-N 3.03Å
337	P	89.4	Confident	86.6	Confident	69 Å²	69	46.1 Å²	46.1	45%	0.448	23%	0.225	S	C	.	.			trans	-74.6	47.7	177.6	34	-38.3	0	0	0	112.8	I313 N314 L339	I313-P337 CarbonylContact O-C 3.29Å; I313-P337 WeakPolarHBondContact O-CD 3.49Å; N314-P337 WeakPolarHBondContact OD1-CG 3.26Å; P337-L339 PolarHBondContact O-N 2.97Å
338	L	87.4	Confident	86.3	Confident	13 Å²	13	48.2 Å²	48.2	7%	0.068	23%	0.233	C	C	.	.			trans	-68	123.3	-179.3	-70.5	172.3	0	0	0	110.5	I313 L316 I333 N336 I341 I360	I313-L338 HydrophobicContact CB-CD2 4.34Å; I313-L338 HydrophobicContact CG2-CD2 3.83Å; I313-L338 WeakPolarHBondContact O-CD2 3.41Å; I313-L338 PolarHBondContact O-N 3.42Å; L316-L338 HydrophobicContact CD1-CD1 4.09Å; L316-L338 HydrophobicContact CD1-CD2 4.23Å; L316-L338 HydrophobicContact CG-CD2 3.95Å; I333-L338 HydrophobicContact CD1-CD1 4.01Å; N336-L338 HydrophobicContact CB-CD1 4.33Å; N336-L338 HydrophobicContact CB-CG 3.99Å; N336-L338 PolarHBondContact O-N 3.03Å; L338-I341 HydrophobicContact CD1-CD1 4.42Å; L338-I341 HydrophobicContact CD1-CG1 4.43Å; L338-I360 HydrophobicContact CB-CG2 4.17Å; L338-I360 HydrophobicContact CD1-CD1 3.79Å; L338-I360 HydrophobicContact CD1-CG1 4.42Å
339	L	77.7	Confident	86.1	Confident	141 Å²	141	48.2 Å²	48.2	74%	0.738	23%	0.233	S	C	*	.	S	Bend	trans	-71.1	-40.3	179.4	-73.3	166	0	0	0	112.3	N314 P337	N314-L339 PolarHBondContact O-N 3.11Å; P337-L339 PolarHBondContact O-N 2.97Å
340	R	77.5	Confident	85.9	Confident	196 Å²	196	49 Å²	49	74%	0.74	24%	0.24	S	C	*	.			trans	-151.2	141.2	-176.9	-64.9	-173.1	174.4	176.3	-4.2	111.4
341	I	83.4	Confident	85.8	Confident	14 Å²	14	52.5 Å²	52.5	7%	0.072	26%	0.256	C	S	.	.			trans	-111.3	122	168.9	-62.5	-177.9	0	0	0	108.2	I333 L338 F346 L357 I360 I362 M369	I333-I341 HydrophobicContact CD1-CD1 4.34Å; L338-I341 HydrophobicContact CD1-CD1 4.42Å; L338-I341 HydrophobicContact CD1-CG1 4.43Å; I341-F346 HydrophobicContact CG2-CD2 4.37Å; I341-F346 HydrophobicContact CG2-CE2 3.36Å; I341-F346 HydrophobicContact CG2-CZ 3.65Å; I341-L357 HydrophobicContact CD1-CD2 4.02Å; I341-I360 HydrophobicContact CD1-CD1 4.36Å; I341-I360 HydrophobicContact CD1-CG2 3.85Å; I341-I360 HydrophobicContact CG1-CG2 4.41Å; I341-I362 HydrophobicContact CD1-CD1 4.29Å; I341-I362 HydrophobicContact CD1-CG1 4.31Å; I341-M369 HydrophobicContact CB-CE 4.42Å; I341-M369 HydrophobicContact CG2-CE 3.94Å; I341-M369 HydrophobicContact CG2-SD 4.27Å; I341-M369 WeakPolarHBondContact O-CE 3.01Å
342	H	80.3	Confident	85.7	Confident	109 Å²	109	52.4 Å²	52.4	51%	0.505	26%	0.256	S	S	.	.			trans	-95	141.5	178.9	-151.3	-98.3	0	0	0	110.5	S344 H345	H342-S344 PolarHBondContact ND1-OG 2.91Å; H342-S344 PolarHBondContact O-N 2.99Å; H342-H345 PolarHBondContact N-ND1 3.37Å; H342-H345 WeakPolarHBondContact O-CB 3.4Å; H342-H345 PolarHBondContact O-N 3.07Å; H342-H345 PolarHBondContact O-ND1 2.64Å
343	P	76.3	Confident	85.5	Confident	30 Å²	30	53 Å²	53	20%	0.195	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-54.4	-32.1	179.7	-27.4	33.6	0	0	0	114.1	H345 F346 N347 M369	P343-H345 PolarHBondContact O-N 3.23Å; P343-H345 VanDerWaalsContact O-N 3.08Å; P343-F346 PolarHBondContact O-N 3.34Å; P343-F346 VanDerWaalsContact O-N 3.14Å; P343-N347 PolarHBondContact O-N 3.18Å; P343-N347 PolarHBondContact O-OD1 3.41Å; P343-M369 HydrophobicContact CB-CB 4.42Å; P343-M369 HydrophobicContact CB-CE 4.47Å; P343-M369 HydrophobicContact CG-CB 4.5Å; P343-M369 HydrophobicContact CG-CE 3.92Å
344	S	79.1	Confident	85.4	Confident	27 Å²	27	53 Å²	53	19%	0.189	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-59.4	-19.7	177.8	49.5	0	0	0	0	114.5	H342 F346	H342-S344 PolarHBondContact ND1-OG 2.91Å; H342-S344 PolarHBondContact O-N 2.99Å; S344-F346 VanDerWaalsContact C-N 3.32Å
345	H	82.6	Confident	85.4	Confident	16 Å²	16	52.9 Å²	52.9	7%	0.074	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-67.7	-32.9	177.4	-60.6	155.7	0	0	0	112.4	L316 H342 P343	L316-H345 PolarHBondContact O-NE2 3.45Å; H342-H345 PolarHBondContact N-ND1 3.37Å; H342-H345 WeakPolarHBondContact O-CB 3.4Å; H342-H345 PolarHBondContact O-N 3.07Å; H342-H345 PolarHBondContact O-ND1 2.64Å; P343-H345 PolarHBondContact O-N 3.23Å; P343-H345 VanDerWaalsContact O-N 3.08Å
346	F	84.8	Confident	85.5	Confident	1 Å²	1	46.5 Å²	46.5	0%	0.004	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-13	-174	-51	-53.1	0	0	0	114.2	L331 I333 I341 P343 S344 H348 L349 L355 L357 M369 M373	L331-F346 HydrophobicContact CD2-CE1 4.24Å; I333-F346 HydrophobicContact CD1-CZ 4.43Å; I341-F346 HydrophobicContact CG2-CD2 4.37Å; I341-F346 HydrophobicContact CG2-CE2 3.36Å; I341-F346 HydrophobicContact CG2-CZ 3.65Å; P343-F346 PolarHBondContact O-N 3.34Å; P343-F346 VanDerWaalsContact O-N 3.14Å; S344-F346 VanDerWaalsContact C-N 3.32Å; F346-H348 PolarHBondContact O-N 3.34Å; F346-L349 HydrophobicContact CD1-CD1 4.07Å; F346-L349 PolarHBondContact O-N 3.14Å; F346-L355 HydrophobicContact CE1-CD1 4.2Å; F346-L355 HydrophobicContact CZ-CD2 4.49Å; F346-L357 HydrophobicContact CZ-CD2 4.15Å; F346-M369 HydrophobicContact CD2-CG 3.87Å; F346-M369 HydrophobicContact CD2-SD 4.31Å; F346-M369 HydrophobicContact CE2-CG 4.29Å; F346-M369 HydrophobicContact CE2-SD 4.13Å; F346-M373 HydrophobicContact CB-CE 4.02Å; F346-M373 HydrophobicContact CB-SD 4.01Å; F346-M373 HydrophobicContact CG-CE 4.4Å
347	N	82.6	Confident	85.4	Confident	72 Å²	72	46.3 Å²	46.3	39%	0.385	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-30.5	-176.4	-77.7	-4.5	0	0	0	114.9	P343	P343-N347 PolarHBondContact O-N 3.18Å; P343-N347 PolarHBondContact O-OD1 3.41Å
348	H	83.3	Confident	85.3	Confident	68 Å²	68	45.7 Å²	45.7	32%	0.315	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-16.3	-177	-53.7	97.5	0	0	0	113.1	N319 S325 F346 T350	N319-H348 PolarHBondContact OD1-CE1 3.46Å; S325-H348 WeakPolarHBondContact CB-O 3.36Å; F346-H348 PolarHBondContact O-N 3.34Å; H348-T350 VanDerWaalsContact C-N 3.25Å; H348-T350 PolarHBondContact O-N 3.06Å
349	L	87.7	Confident	85.1	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.233	C	C	.	.			trans	-83.5	57.8	-170	-60.1	-178.2	0	0	0	112.6	F321 L328 L331 F346 Q351 L352 M373	F321-L349 HydrophobicContact CB-CD1 4.29Å; F321-L349 HydrophobicContact CB-CD2 3.96Å; F321-L349 HydrophobicContact CB-CG 4.49Å; L328-L349 HydrophobicContact CB-CD2 4.48Å; L328-L349 HydrophobicContact CD2-CD1 4.38Å; L328-L349 HydrophobicContact CD2-CD2 4.08Å; L331-L349 HydrophobicContact CD2-CD1 3.97Å; F346-L349 HydrophobicContact CD1-CD1 4.07Å; F346-L349 PolarHBondContact O-N 3.14Å; L349-Q351 VanDerWaalsContact C-N 3.28Å; L349-Q351 PolarHBondContact O-N 3.36Å; L349-L352 HydrophobicContact CB-CB 4.16Å; L349-L352 HydrophobicContact CD1-CD2 4.28Å; L349-L352 WeakPolarHBondContact O-CB 3.07Å; L349-L352 PolarHBondContact O-N 2.91Å; L349-M373 HydrophobicContact CB-SD 4.47Å; L349-M373 WeakPolarHBondContact O-CG 3.45Å
350	T	86.5	Confident	85.5	Confident	69 Å²	69	39.8 Å²	39.8	42%	0.423	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-23.7	-172.7	58.7	0	0	0	0	114.9	H348	H348-T350 VanDerWaalsContact C-N 3.25Å; H348-T350 PolarHBondContact O-N 3.06Å
351	Q	88.6	Confident	85.6	Confident	88 Å²	88	34.4 Å²	34.4	41%	0.411	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-4.2	-178.8	-62.6	-57.7	-41.8	0	0	113.6	L329 L349 Q353	L329-Q351 HydrophobicContact CD2-CB 4.38Å; L349-Q351 VanDerWaalsContact C-N 3.28Å; L349-Q351 PolarHBondContact O-N 3.36Å; Q351-Q353 PolarHBondContact O-N 3.36Å
352	L	90.8	Very high	85.5	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.18	C	C	.	.			trans	-61.8	127	-175	-159.2	75.6	0	0	0	110.6	L328 L329 L331 L349 L355 M373 N375 L376	L328-L352 HydrophobicContact CB-CD1 4.49Å; L328-L352 HydrophobicContact CD2-CD1 4.16Å; L328-L352 HydrophobicContact CG-CD1 4.03Å; L329-L352 WeakPolarHBondContact O-CD1 3.25Å; L331-L352 HydrophobicContact CB-CD1 3.92Å; L331-L352 HydrophobicContact CB-CD2 4.39Å; L349-L352 HydrophobicContact CB-CB 4.16Å; L349-L352 HydrophobicContact CD1-CD2 4.28Å; L349-L352 WeakPolarHBondContact O-CB 3.07Å; L349-L352 PolarHBondContact O-N 2.91Å; L352-L355 HydrophobicContact CD2-CB 3.83Å; L352-L355 HydrophobicContact CD2-CD1 4.1Å; L352-L355 HydrophobicContact CD2-CD2 4.41Å; L352-L355 HydrophobicContact CD2-CG 4.32Å; L352-M373 HydrophobicContact CB-SD 4.28Å; L352-M373 HydrophobicContact CD2-SD 3.58Å; L352-M373 VanDerWaalsContact CD2-SD 3.58Å; L352-N375 CarbonylContact O-C 3.25Å; L352-N375 VanDerWaalsContact O-C 3.25Å; L352-L376 HydrophobicContact CD2-CD1 4.28Å; L352-L376 HydrophobicContact CG-CD1 4.36Å; L352-L376 VanDerWaalsContact O-CA 3.26Å; L352-L376 WeakPolarHBondContact O-CA 3.19Å; L352-L376 PolarHBondContact O-N 2.85Å
353	Q	89.9	Confident	85.1	Confident	49 Å²	49	33 Å²	33	23%	0.229	18%	0.183	C	C	.	.			trans	-103.4	-30.1	179.9	-62	-174	20.6	0	0	112.2	L329 Q351 S377 H378	L329-Q353 HydrophobicContact CD2-CG 4.35Å; L329-Q353 PolarHBondContact O-N 2.91Å; Q351-Q353 PolarHBondContact O-N 3.36Å; Q353-S377 PolarHBondContact O-N 3.12Å; Q353-S377 PolarHBondContact O-OG 3.18Å; Q353-H378 PolarHBondContact O-N 2.97Å
354	S	90.7	Very high	85.1	Confident	2 Å²	2	37.4 Å²	37.4	1%	0.014	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	134.8	177.3	-174.9	0	0	0	0	112.8	D76 L329 K330 L331 H378	D76-S354 VanDerWaalsContact CG-CB 3.44Å; D76-S354 VanDerWaalsContact CG-OG 3.25Å; D76-S354 WeakPolarHBondContact OD1-CB 3.43Å; D76-S354 WeakPolarHBondContact OD2-CB 3.3Å; D76-S354 PolarHBondContact OD2-OG 2.91Å; L329-S354 PolarHBondContact O-N 3.24Å; K330-S354 WeakPolarHBondContact CA-O 3.29Å; L331-S354 PolarHBondContact N-O 3.36Å; S354-H378 WeakPolarHBondContact CA-O 3.13Å
355	L	92.3	Very high	85.2	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	116.6	178.6	179.6	59.4	0	0	0	111.1	L331 F346 L352 L357 F370 M373 L376 H378 I379 Y380	L331-L355 HydrophobicContact CB-CD1 4.14Å; L331-L355 HydrophobicContact CD2-CD1 4.07Å; L331-L355 HydrophobicContact CG-CD1 4.18Å; L331-L355 WeakPolarHBondContact O-CA 3.06Å; F346-L355 HydrophobicContact CE1-CD1 4.2Å; F346-L355 HydrophobicContact CZ-CD2 4.49Å; L352-L355 HydrophobicContact CD2-CB 3.83Å; L352-L355 HydrophobicContact CD2-CD1 4.1Å; L352-L355 HydrophobicContact CD2-CD2 4.41Å; L352-L355 HydrophobicContact CD2-CG 4.32Å; L355-L357 HydrophobicContact CD1-CD2 4.09Å; L355-L357 HydrophobicContact CD1-CG 4.27Å; L355-L357 HydrophobicContact CD2-CD1 3.97Å; L355-L357 HydrophobicContact CD2-CG 4.36Å; L355-L357 HydrophobicContact CG-CD1 4.15Å; L355-L357 HydrophobicContact CG-CD2 4.35Å; L355-L357 HydrophobicContact CG-CG 3.99Å; L355-F370 HydrophobicContact CD2-CD1 4.32Å; L355-F370 HydrophobicContact CD2-CE1 4.24Å; L355-M373 HydrophobicContact CD2-CE 3.8Å; L355-M373 HydrophobicContact CD2-SD 4.24Å; L355-L376 HydrophobicContact CB-CD1 3.89Å; L355-H378 PolarHBondContact N-O 2.9Å; L355-I379 HydrophobicContact CB-CG1 4.35Å; L355-I379 HydrophobicContact CD2-CD1 4.3Å; L355-I379 CarbonylContact O-C 3.54Å; L355-I379 VanDerWaalsContact O-CA 3.29Å; L355-I379 WeakPolarHBondContact O-CA 3.48Å; L355-Y380 PolarHBondContact O-N 2.86Å
356	A	92.1	Very high	85.1	Confident	8 Å²	8	40 Å²	40	7%	0.066	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	121.5	176.5	0	0	0	0	0	112.3	L331 N332 I333 Y380	L331-A356 PolarHBondContact O-N 3.4Å; N332-A356 HydrophobicContact CB-CB 4Å; N332-A356 VanDerWaalsContact OD1-CB 3.28Å; N332-A356 WeakPolarHBondContact OD1-CB 3.12Å; I333-A356 PolarHBondContact N-O 3.42Å; I333-A356 VanDerWaalsContact N-O 3.11Å; A356-Y380 HydrophobicContact CB-CD2 3.94Å; A356-Y380 HydrophobicContact CB-CG 4.33Å
357	L	90.7	Very high	84.8	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	24	-177.8	-57.2	174.4	0	0	0	111.5	I333 I341 F346 L355 I360 I362 F370 Y380 F381	I333-L357 HydrophobicContact CD1-CD2 3.52Å; I333-L357 HydrophobicContact CG1-CD2 3.49Å; I333-L357 VanDerWaalsContact CG1-CD2 3.49Å; I341-L357 HydrophobicContact CD1-CD2 4.02Å; F346-L357 HydrophobicContact CZ-CD2 4.15Å; L355-L357 HydrophobicContact CD1-CD2 4.09Å; L355-L357 HydrophobicContact CD1-CG 4.27Å; L355-L357 HydrophobicContact CD2-CD1 3.97Å; L355-L357 HydrophobicContact CD2-CG 4.36Å; L355-L357 HydrophobicContact CG-CD1 4.15Å; L355-L357 HydrophobicContact CG-CD2 4.35Å; L355-L357 HydrophobicContact CG-CG 3.99Å; L357-I360 HydrophobicContact CD2-CD1 4.39Å; L357-I360 PolarHBondContact O-N 3.24Å; L357-I362 HydrophobicContact CD1-CD1 4.05Å; L357-F370 HydrophobicContact CD1-CE1 4.01Å; L357-F370 HydrophobicContact CD1-CZ 4.41Å; L357-Y380 CarbonylContact C-O 3.59Å; L357-Y380 VanDerWaalsContact CA-O 3.31Å; L357-Y380 WeakPolarHBondContact CA-O 3.44Å; L357-Y380 WeakPolarHBondContact CB-O 3.15Å; L357-Y380 PolarHBondContact N-O 2.98Å; L357-F381 HydrophobicContact CB-CD1 4.28Å; L357-F381 HydrophobicContact CD1-CD1 4.27Å; L357-F381 HydrophobicContact CD1-CE1 3.81Å
358	E	87.8	Confident	84.7	Confident	56 Å²	56	45.6 Å²	45.6	26%	0.262	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	149.3	178.2	-57.3	-178.7	156.5	0	0	111	S334 Y335 I360 Y380	S334-E358 CarbonylContact C-O 3.55Å; S334-E358 WeakPolarHBondContact CA-O 3.33Å; S334-E358 WeakPolarHBondContact CB-O 3.45Å; Y335-E358 HydrophobicContact CE2-CB 3.99Å; Y335-E358 PolarHBondContact N-O 2.94Å; E358-I360 PolarHBondContact O-N 2.72Å; E358-Y380 WeakPolarHBondContact OE1-CB 3.35Å; E358-Y380 WeakPolarHBondContact OE1-CD1 3.38Å
359	G	81.8	Confident	84.8	Confident	27 Å²	27	42.4 Å²	42.4	28%	0.278	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	70	-4	-179.6	0	0	0	0	0	116
360	I	85.8	Confident	84.8	Confident	3 Å²	3	42.4 Å²	42.4	2%	0.015	23%	0.227	C	C	.	.			trans	-101.3	134.8	178.3	-58.1	157.6	0	0	0	110.9	I333 L338 I341 L357 E358 I362 K382	I333-I360 HydrophobicContact CD1-CD1 4.39Å; I333-I360 HydrophobicContact CG1-CD1 4.04Å; I333-I360 VanDerWaalsContact O-CD1 3.3Å; I333-I360 WeakPolarHBondContact O-CD1 3.35Å; L338-I360 HydrophobicContact CB-CG2 4.17Å; L338-I360 HydrophobicContact CD1-CD1 3.79Å; L338-I360 HydrophobicContact CD1-CG1 4.42Å; I341-I360 HydrophobicContact CD1-CD1 4.36Å; I341-I360 HydrophobicContact CD1-CG2 3.85Å; I341-I360 HydrophobicContact CG1-CG2 4.41Å; L357-I360 HydrophobicContact CD2-CD1 4.39Å; L357-I360 PolarHBondContact O-N 3.24Å; E358-I360 PolarHBondContact O-N 2.72Å; I360-I362 HydrophobicContact CG2-CG1 4.41Å; I360-K382 WeakPolarHBondContact O-CB 3.07Å
361	E	79.7	Confident	84.6	Confident	84 Å²	84	44.6 Å²	44.6	39%	0.393	24%	0.236	S	C	.	.			trans	-93.5	128.8	172.5	-171.9	154.7	-131	0	0	111.3	P363 K383	E361-P363 WeakPolarHBondContact O-CD 3.18Å; E361-K383 IonicContact OE1-NZ 3.57Å; E361-K383 PolarHBondContact OE1-NZ 3.15Å
362	I	82.6	Confident	84.5	Confident	4 Å²	4	42.2 Å²	42.2	2%	0.021	23%	0.228	C	C	.	.			trans	-117.9	89.1	-177.2	-50.1	174.3	0	0	0	107.7	I341 L357 I360 D364 I365 F381	I341-I362 HydrophobicContact CD1-CD1 4.29Å; I341-I362 HydrophobicContact CD1-CG1 4.31Å; L357-I362 HydrophobicContact CD1-CD1 4.05Å; I360-I362 HydrophobicContact CG2-CG1 4.41Å; I362-D364 PolarHBondContact O-N 3.11Å; I362-I365 HydrophobicContact CB-CB 4.23Å; I362-I365 HydrophobicContact CD1-CD1 4.41Å; I362-I365 HydrophobicContact CG2-CB 3.78Å; I362-I365 HydrophobicContact CG2-CG1 4.22Å; I362-F381 HydrophobicContact CD1-CD1 4.46Å; I362-F381 HydrophobicContact CD1-CE1 4.24Å
363	P	72.3	Confident	84.4	Confident	89 Å²	89	42.2 Å²	42.2	58%	0.578	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-37.4	-172.5	22.1	-32.1	0	0	0	113.4	E361	E361-P363 WeakPolarHBondContact O-CD 3.18Å
364	D	75.2	Confident	84.1	Confident	123 Å²	123	49 Å²	49	66%	0.658	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	50.4	-179	-64.1	-50.8	0	0	0	111.9	I362 Q366	I362-D364 PolarHBondContact O-N 3.11Å; D364-Q366 PolarHBondContact O-N 3.21Å
365	I	81.8	Confident	84	Confident	14 Å²	14	52.5 Å²	52.5	7%	0.072	28%	0.275	C	S	.	.			trans	-68.1	132.8	179.3	-166.7	170.2	0	0	0	110.9	I362 F370 F381 Y386 Y389	I362-I365 HydrophobicContact CB-CB 4.23Å; I362-I365 HydrophobicContact CD1-CD1 4.41Å; I362-I365 HydrophobicContact CG2-CB 3.78Å; I362-I365 HydrophobicContact CG2-CG1 4.22Å; I365-F370 HydrophobicContact CD1-CE2 3.8Å; I365-F370 HydrophobicContact CD1-CZ 4.08Å; I365-F370 HydrophobicContact CG1-CE2 3.74Å; I365-F370 HydrophobicContact CG1-CZ 4.24Å; I365-F381 HydrophobicContact CD1-CE1 4.09Å; I365-F381 HydrophobicContact CD1-CZ 4.24Å; I365-Y386 HydrophobicContact CD1-CD1 4.08Å; I365-Y386 HydrophobicContact CD1-CD2 4.25Å; I365-Y386 HydrophobicContact CD1-CG 3.78Å; I365-Y386 HydrophobicContact CG2-CD1 4.19Å; I365-Y386 HydrophobicContact CG2-CE1 4.31Å; I365-Y389 HydrophobicContact CD1-CD2 4.06Å; I365-Y389 HydrophobicContact CD1-CG 4.26Å; I365-Y389 HydrophobicContact CG1-CD2 4.17Å; I365-Y389 HydrophobicContact CG1-CG 4.03Å; I365-Y389 HydrophobicContact CG2-CD1 4.28Å; I365-Y389 HydrophobicContact CG2-CD2 3.66Å; I365-Y389 HydrophobicContact CG2-CE1 4.11Å; I365-Y389 HydrophobicContact CG2-CE2 3.46Å; I365-Y389 VanDerWaalsContact CG2-CE2 3.46Å; I365-Y389 HydrophobicContact CG2-CG 4.07Å; I365-Y389 WeakPolarHBondContact O-CE1 3.36Å
366	Q	79.5	Confident	83.8	Confident	82 Å²	82	52.8 Å²	52.8	38%	0.383	28%	0.276	S	S	.	.			trans	-138.6	146.1	-179	-63.4	-175.8	5	0	0	110.2	D364 K368 M369	D364-Q366 PolarHBondContact O-N 3.21Å; Q366-K368 HydrophobicContact CB-CG 4.02Å; Q366-K368 PolarHBondContact O-N 3.44Å; Q366-K368 VanDerWaalsContact O-N 3.15Å; Q366-K368 VanDerWaalsContact OE1-CD 3.26Å; Q366-M369 VanDerWaalsContact O-CB 3.22Å; Q366-M369 WeakPolarHBondContact O-CB 3.33Å; Q366-M369 PolarHBondContact O-N 2.84Å
367	T	78.9	Confident	83.6	Confident	72 Å²	72	54 Å²	54	44%	0.442	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-56.6	-33.4	178.6	49.6	0	0	0	0	113	M369 F370 L371 Y389	T367-M369 PolarHBondContact O-N 3.32Å; T367-F370 PolarHBondContact O-N 3.12Å; T367-L371 PolarHBondContact O-N 3.32Å; T367-L371 VanDerWaalsContact O-N 3.15Å; T367-Y389 WeakPolarHBondContact CA-O 3.44Å; T367-Y389 HydrophobicContact CG2-CD1 4.19Å
368	K	80.8	Confident	83.5	Confident	120 Å²	120	54.8 Å²	54.8	52%	0.522	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-62.8	-19.3	177.3	78.4	-171.5	-165	-158.4	0	114.2	Q366 F370 P372	Q366-K368 HydrophobicContact CB-CG 4.02Å; Q366-K368 PolarHBondContact O-N 3.44Å; Q366-K368 VanDerWaalsContact O-N 3.15Å; Q366-K368 VanDerWaalsContact OE1-CD 3.26Å; K368-F370 VanDerWaalsContact C-N 3.34Å; K368-P372 WeakPolarHBondContact O-CD 3.26Å
369	M	85.1	Confident	83.6	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-68.4	-35.6	177.1	178	176.1	-85.7	0	0	111.6	I341 P343 F346 Q366 T367	I341-M369 HydrophobicContact CB-CE 4.42Å; I341-M369 HydrophobicContact CG2-CE 3.94Å; I341-M369 HydrophobicContact CG2-SD 4.27Å; I341-M369 WeakPolarHBondContact O-CE 3.01Å; P343-M369 HydrophobicContact CB-CB 4.42Å; P343-M369 HydrophobicContact CB-CE 4.47Å; P343-M369 HydrophobicContact CG-CB 4.5Å; P343-M369 HydrophobicContact CG-CE 3.92Å; F346-M369 HydrophobicContact CD2-CG 3.87Å; F346-M369 HydrophobicContact CD2-SD 4.31Å; F346-M369 HydrophobicContact CE2-CG 4.29Å; F346-M369 HydrophobicContact CE2-SD 4.13Å; Q366-M369 VanDerWaalsContact O-CB 3.22Å; Q366-M369 WeakPolarHBondContact O-CB 3.33Å; Q366-M369 PolarHBondContact O-N 2.84Å; T367-M369 PolarHBondContact O-N 3.32Å
370	F	88.1	Confident	84	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-21.7	-174.8	-51.8	-72.2	0	0	0	112.9	L355 L357 I365 T367 K368 P372 M373 I379 F381 A390 H392	L355-F370 HydrophobicContact CD2-CD1 4.32Å; L355-F370 HydrophobicContact CD2-CE1 4.24Å; L357-F370 HydrophobicContact CD1-CE1 4.01Å; L357-F370 HydrophobicContact CD1-CZ 4.41Å; I365-F370 HydrophobicContact CD1-CE2 3.8Å; I365-F370 HydrophobicContact CD1-CZ 4.08Å; I365-F370 HydrophobicContact CG1-CE2 3.74Å; I365-F370 HydrophobicContact CG1-CZ 4.24Å; T367-F370 PolarHBondContact O-N 3.12Å; K368-F370 VanDerWaalsContact C-N 3.34Å; F370-P372 VanDerWaalsContact C-N 3.32Å; F370-P372 VanDerWaalsContact O-N 3.15Å; F370-M373 HydrophobicContact CB-CE 4.14Å; F370-M373 HydrophobicContact CD1-CE 3.67Å; F370-M373 HydrophobicContact CG-CE 4.38Å; F370-M373 PolarHBondContact O-N 3.27Å; F370-I379 HydrophobicContact CD1-CD1 3.73Å; F370-I379 HydrophobicContact CE1-CD1 3.82Å; F370-I379 HydrophobicContact CG-CD1 4.36Å; F370-F381 HydrophobicContact CE1-CE1 4.12Å; F370-F381 AromaticContact CE1-CZ 4Å; F370-F381 HydrophobicContact CE1-CZ 4Å; F370-F381 HydrophobicContact CE2-CE1 4.33Å; F370-F381 AromaticContact CE2-CZ 3.9Å; F370-F381 HydrophobicContact CE2-CZ 3.9Å; F370-F381 AromaticContact CZ-CE1 3.66Å; F370-F381 HydrophobicContact CZ-CE1 3.66Å; F370-F381 AromaticContact CZ-CZ 3.58Å; F370-F381 HydrophobicContact CZ-CZ 3.58Å; F370-A390 HydrophobicContact CB-CB 4.48Å; F370-A390 HydrophobicContact CD2-CB 4.41Å; F370-A390 HydrophobicContact CG-CB 4.47Å; F370-H392 PolarHBondContact O-CE1 3.17Å; F370-H392 PolarHBondContact O-NE2 3.22Å
371	L	82.6	Confident	84.1	Confident	115 Å²	115	52.7 Å²	52.7	60%	0.602	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-35.2	-179.9	-145.8	91.6	0	0	0	116.2	T367 M373	T367-L371 PolarHBondContact O-N 3.32Å; T367-L371 VanDerWaalsContact O-N 3.15Å; L371-M373 PolarHBondContact O-N 3.09Å
372	P	85.7	Confident	84.2	Confident	37 Å²	37	51.2 Å²	51.2	24%	0.24	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-26.7	177.7	-24.6	35.9	0	0	0	114	K368 F370 K374	K368-P372 WeakPolarHBondContact O-CD 3.26Å; F370-P372 VanDerWaalsContact C-N 3.32Å; F370-P372 VanDerWaalsContact O-N 3.15Å; P372-K374 PolarHBondContact O-N 3.15Å; P372-K374 VanDerWaalsContact O-N 3.11Å
373	M	88.6	Confident	83.9	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.274	C	S	.	.			trans	-88.5	71.9	-174.6	-57.7	-178.3	-77.7	0	0	110.6	F346 L349 L352 L355 F370 L371 N375 L376	F346-M373 HydrophobicContact CB-CE 4.02Å; F346-M373 HydrophobicContact CB-SD 4.01Å; F346-M373 HydrophobicContact CG-CE 4.4Å; L349-M373 HydrophobicContact CB-SD 4.47Å; L349-M373 WeakPolarHBondContact O-CG 3.45Å; L352-M373 HydrophobicContact CB-SD 4.28Å; L352-M373 HydrophobicContact CD2-SD 3.58Å; L352-M373 VanDerWaalsContact CD2-SD 3.58Å; L355-M373 HydrophobicContact CD2-CE 3.8Å; L355-M373 HydrophobicContact CD2-SD 4.24Å; F370-M373 HydrophobicContact CB-CE 4.14Å; F370-M373 HydrophobicContact CD1-CE 3.67Å; F370-M373 HydrophobicContact CG-CE 4.38Å; F370-M373 PolarHBondContact O-N 3.27Å; L371-M373 PolarHBondContact O-N 3.09Å; M373-N375 PolarHBondContact O-N 3.04Å; M373-L376 HydrophobicContact CB-CB 4.03Å; M373-L376 HydrophobicContact CB-CD2 4.4Å; M373-L376 HydrophobicContact CE-CD2 4.05Å; M373-L376 VanDerWaalsContact O-CB 3.26Å; M373-L376 WeakPolarHBondContact O-CB 3.35Å; M373-L376 PolarHBondContact O-N 3.28Å
374	K	84.2	Confident	83.9	Confident	191 Å²	191	50.3 Å²	50.3	83%	0.83	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-25	-174.4	-65	-176.8	-179.5	179.6	0	114.4	P372 L376	P372-K374 PolarHBondContact O-N 3.15Å; P372-K374 VanDerWaalsContact O-N 3.11Å; K374-L376 VanDerWaalsContact C-N 3.33Å
375	N	87.9	Confident	83.8	Confident	76 Å²	76	46.2 Å²	46.2	41%	0.406	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	5.9	-178.3	-152.4	35.6	0	0	0	113.2	L352 M373 S377	L352-N375 CarbonylContact O-C 3.25Å; L352-N375 VanDerWaalsContact O-C 3.25Å; M373-N375 PolarHBondContact O-N 3.04Å; N375-S377 PolarHBondContact O-N 2.96Å
376	L	89	Confident	83.8	Confident	6 Å²	6	46.5 Å²	46.5	3%	0.031	23%	0.226	C	C	.	.			trans	-70.6	116.4	-175	-168.6	66.9	0	0	0	110.5	L352 L355 M373 K374 H378 I379 V393	L352-L376 HydrophobicContact CD2-CD1 4.28Å; L352-L376 HydrophobicContact CG-CD1 4.36Å; L352-L376 VanDerWaalsContact O-CA 3.26Å; L352-L376 WeakPolarHBondContact O-CA 3.19Å; L352-L376 PolarHBondContact O-N 2.85Å; L355-L376 HydrophobicContact CB-CD1 3.89Å; M373-L376 HydrophobicContact CB-CB 4.03Å; M373-L376 HydrophobicContact CB-CD2 4.4Å; M373-L376 HydrophobicContact CE-CD2 4.05Å; M373-L376 VanDerWaalsContact O-CB 3.26Å; M373-L376 WeakPolarHBondContact O-CB 3.35Å; M373-L376 PolarHBondContact O-N 3.28Å; K374-L376 VanDerWaalsContact C-N 3.33Å; L376-H378 WeakPolarHBondContact CD1-O 3.45Å; L376-I379 HydrophobicContact CD2-CB 4.39Å; L376-I379 HydrophobicContact CD2-CD1 4.04Å; L376-V393 HydrophobicContact CB-CG2 4.15Å; L376-V393 HydrophobicContact CD2-CG2 3.66Å; L376-V393 HydrophobicContact CG-CG1 4.32Å; L376-V393 HydrophobicContact CG-CG2 3.89Å
377	S	87.4	Confident	83.8	Confident	33 Å²	33	42.8 Å²	42.8	23%	0.231	21%	0.209	C	C	.	.			trans	-103.6	-34.3	-176.8	66.4	0	0	0	0	112.4	Q353 N375 V393 R394 S395	Q353-S377 PolarHBondContact O-N 3.12Å; Q353-S377 PolarHBondContact O-OG 3.18Å; N375-S377 PolarHBondContact O-N 2.96Å; S377-V393 VanDerWaalsContact C-CG1 3.49Å; S377-V393 VanDerWaalsContact O-CG1 3.3Å; S377-V393 WeakPolarHBondContact O-CG1 3.27Å; S377-R394 PolarHBondContact O-N 2.85Å; S377-S395 PolarHBondContact O-N 2.85Å
378	H	88.9	Confident	83.7	Confident	17 Å²	17	41.8 Å²	41.8	8%	0.079	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	133.3	-177.7	-65.3	80.7	0	0	0	110.5	R73 Q353 S354 L355 L376 Y380 S395	R73-H378 PolarHBondContact O-CE1 3.09Å; R73-H378 PolarHBondContact O-NE2 3.42Å; Q353-H378 PolarHBondContact O-N 2.97Å; S354-H378 WeakPolarHBondContact CA-O 3.13Å; L355-H378 PolarHBondContact N-O 2.9Å; L376-H378 WeakPolarHBondContact CD1-O 3.45Å; H378-Y380 HydrophobicContact CB-CE2 3.97Å; H378-S395 CarbonylContact C-O 3.41Å; H378-S395 WeakPolarHBondContact CA-O 3.35Å
379	I	90.1	Very high	83.7	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	136.2	171.1	-163.7	167.3	0	0	0	111	L355 F370 L376 F381 A390 V393 S395 C396 K397	L355-I379 HydrophobicContact CB-CG1 4.35Å; L355-I379 HydrophobicContact CD2-CD1 4.3Å; L355-I379 CarbonylContact O-C 3.54Å; L355-I379 VanDerWaalsContact O-CA 3.29Å; L355-I379 WeakPolarHBondContact O-CA 3.48Å; F370-I379 HydrophobicContact CD1-CD1 3.73Å; F370-I379 HydrophobicContact CE1-CD1 3.82Å; F370-I379 HydrophobicContact CG-CD1 4.36Å; L376-I379 HydrophobicContact CD2-CB 4.39Å; L376-I379 HydrophobicContact CD2-CD1 4.04Å; I379-F381 HydrophobicContact CD1-CE1 3.94Å; I379-F381 HydrophobicContact CD1-CE2 3.57Å; I379-F381 HydrophobicContact CD1-CZ 3.22Å; I379-F381 HydrophobicContact CG1-CD2 4.34Å; I379-F381 HydrophobicContact CG1-CE1 4.31Å; I379-F381 HydrophobicContact CG1-CE2 3.83Å; I379-F381 HydrophobicContact CG1-CZ 3.83Å; I379-F381 HydrophobicContact CG2-CD2 4.31Å; I379-F381 HydrophobicContact CG2-CE2 3.89Å; I379-A390 HydrophobicContact CD1-CB 4.3Å; I379-A390 HydrophobicContact CG2-CB 4.4Å; I379-V393 HydrophobicContact CB-CG1 4.07Å; I379-V393 HydrophobicContact CG2-CB 4.18Å; I379-V393 HydrophobicContact CG2-CG1 3.77Å; I379-V393 HydrophobicContact CG2-CG2 4.32Å; I379-S395 PolarHBondContact N-O 3Å; I379-C396 HydrophobicContact CG2-CB 3.79Å; I379-C396 WeakPolarHBondContact CG2-SG 3.27Å; I379-C396 CarbonylContact O-C 3.31Å; I379-C396 VanDerWaalsContact O-CA 3.3Å; I379-C396 WeakPolarHBondContact O-CA 3.42Å; I379-K397 PolarHBondContact O-N 3.39Å
380	Y	89.5	Confident	83.7	Confident	40 Å²	40	39.3 Å²	39.3	16%	0.157	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	127	-178.9	-53	-100.2	0	0	0	109.6	L355 A356 L357 E358 H378 K397	L355-Y380 PolarHBondContact O-N 2.86Å; A356-Y380 HydrophobicContact CB-CD2 3.94Å; A356-Y380 HydrophobicContact CB-CG 4.33Å; L357-Y380 CarbonylContact C-O 3.59Å; L357-Y380 VanDerWaalsContact CA-O 3.31Å; L357-Y380 WeakPolarHBondContact CA-O 3.44Å; L357-Y380 WeakPolarHBondContact CB-O 3.15Å; L357-Y380 PolarHBondContact N-O 2.98Å; E358-Y380 WeakPolarHBondContact OE1-CB 3.35Å; E358-Y380 WeakPolarHBondContact OE1-CD1 3.38Å; H378-Y380 HydrophobicContact CB-CE2 3.97Å; Y380-K397 HydrophobicContact CD1-CB 3.66Å; Y380-K397 HydrophobicContact CD1-CG 3.94Å; Y380-K397 HydrophobicContact CE1-CB 4.14Å; Y380-K397 HydrophobicContact CE1-CG 3.87Å; Y380-K397 HydrophobicContact CG-CB 4.49Å
381	F	88.3	Confident	83.3	Confident	3 Å²	3	41.3 Å²	41.3	1%	0.013	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	163.3	-176.3	-75.7	-58.7	0	0	0	111.5	L357 I362 I365 F370 I379 Y386 A390 K397 P398	L357-F381 HydrophobicContact CB-CD1 4.28Å; L357-F381 HydrophobicContact CD1-CD1 4.27Å; L357-F381 HydrophobicContact CD1-CE1 3.81Å; I362-F381 HydrophobicContact CD1-CD1 4.46Å; I362-F381 HydrophobicContact CD1-CE1 4.24Å; I365-F381 HydrophobicContact CD1-CE1 4.09Å; I365-F381 HydrophobicContact CD1-CZ 4.24Å; F370-F381 HydrophobicContact CE1-CE1 4.12Å; F370-F381 AromaticContact CE1-CZ 4Å; F370-F381 HydrophobicContact CE1-CZ 4Å; F370-F381 HydrophobicContact CE2-CE1 4.33Å; F370-F381 AromaticContact CE2-CZ 3.9Å; F370-F381 HydrophobicContact CE2-CZ 3.9Å; F370-F381 AromaticContact CZ-CE1 3.66Å; F370-F381 HydrophobicContact CZ-CE1 3.66Å; F370-F381 AromaticContact CZ-CZ 3.58Å; F370-F381 HydrophobicContact CZ-CZ 3.58Å; I379-F381 HydrophobicContact CD1-CE1 3.94Å; I379-F381 HydrophobicContact CD1-CE2 3.57Å; I379-F381 HydrophobicContact CD1-CZ 3.22Å; I379-F381 HydrophobicContact CG1-CD2 4.34Å; I379-F381 HydrophobicContact CG1-CE1 4.31Å; I379-F381 HydrophobicContact CG1-CE2 3.83Å; I379-F381 HydrophobicContact CG1-CZ 3.83Å; I379-F381 HydrophobicContact CG2-CD2 4.31Å; I379-F381 HydrophobicContact CG2-CE2 3.89Å; F381-Y386 HydrophobicContact CB-CD2 4.07Å; F381-Y386 AromaticContact CD1-CD2 3.98Å; F381-Y386 HydrophobicContact CD1-CD2 3.98Å; F381-Y386 HydrophobicContact CD1-CG 4.43Å; F381-Y386 HydrophobicContact CG-CD2 4.15Å; F381-Y386 HydrophobicContact CG-CG 4.39Å; F381-A390 HydrophobicContact CE2-CB 4.36Å; F381-K397 PolarHBondContact N-O 3.33Å; F381-P398 WeakPolarHBondContact O-CD 3.17Å
382	K	81.1	Confident	83.3	Confident	53 Å²	53	38 Å²	38	23%	0.23	19%	0.187	C	C	.	.	S	Bend	trans	-67.4	-40.6	169.8	-176.3	179.5	175.7	-170.6	0	113.2	I360	I360-K382 WeakPolarHBondContact O-CB 3.07Å
383	K	76.4	Confident	83.4	Confident	65 Å²	65	36.2 Å²	36.2	28%	0.283	18%	0.176	S	C	.	.	S	Bend	trans	-120.3	138.2	-174.8	-60.6	-179.8	-171.5	164.3	0	110	E361 Q385 Y386	E361-K383 IonicContact OE1-NZ 3.57Å; E361-K383 PolarHBondContact OE1-NZ 3.15Å; K383-Q385 PolarHBondContact O-N 3.17Å; K383-Y386 HydrophobicContact CB-CD1 4.48Å; K383-Y386 HydrophobicContact CB-CD2 4.27Å; K383-Y386 HydrophobicContact CB-CE1 4.44Å; K383-Y386 HydrophobicContact CB-CE2 4.24Å; K383-Y386 HydrophobicContact CB-CG 4.39Å; K383-Y386 HydrophobicContact CD-CE1 4.26Å; K383-Y386 HydrophobicContact CD-CE2 4.46Å; K383-Y386 HydrophobicContact CG-CE2 4.35Å; K383-Y386 WeakPolarHBondContact O-CB 3.45Å; K383-Y386 PolarHBondContact O-N 3.26Å; K383-Y386 VanDerWaalsContact O-N 3.13Å
384	F	73	Confident	83.1	Confident	9 Å²	9	39.3 Å²	39.3	4%	0.039	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-59.6	-29.7	178.7	75.5	-87.9	0	0	0	113	Y386 C387 P398 D401 Y479	F384-Y386 PolarHBondContact O-N 3.3Å; F384-C387 VanDerWaalsContact O-CB 3.3Å; F384-C387 WeakPolarHBondContact O-CB 3.05Å; F384-C387 PolarHBondContact O-N 2.77Å; F384-C387 PolarHBondContact O-SG 2.88Å; F384-P398 WeakPolarHBondContact CA-O 3.31Å; F384-P398 HydrophobicContact CB-CG 4.25Å; F384-P398 WeakPolarHBondContact CB-O 3.13Å; F384-D401 HydrophobicContact CD1-CB 3.81Å; F384-D401 HydrophobicContact CE1-CB 3.71Å; F384-D401 WeakPolarHBondContact CE1-OD2 3.28Å; F384-Y479 HydrophobicContact CZ-CE1 4.29Å
385	Q	72.4	Confident	83.2	Confident	37 Å²	37	30.3 Å²	30.3	17%	0.173	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-61	-28.3	179.5	-62.8	160.7	-0.2	0	0	112.7	K383 C387 S388 M487	K383-Q385 PolarHBondContact O-N 3.17Å; Q385-C387 PolarHBondContact O-N 2.77Å; Q385-S388 WeakPolarHBondContact O-CB 2.83Å; Q385-S388 PolarHBondContact O-N 3.35Å; Q385-S388 PolarHBondContact O-OG 3.32Å; Q385-M487 PolarHBondContact NE2-SD 3.37Å
386	Y	81.6	Confident	83	Confident	19 Å²	19	27 Å²	27	8%	0.075	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-67.1	-21.8	-179.4	-65.8	-13.5	0	0	0	112.8	I365 F381 K383 F384 S388 Y389	I365-Y386 HydrophobicContact CD1-CD1 4.08Å; I365-Y386 HydrophobicContact CD1-CD2 4.25Å; I365-Y386 HydrophobicContact CD1-CG 3.78Å; I365-Y386 HydrophobicContact CG2-CD1 4.19Å; I365-Y386 HydrophobicContact CG2-CE1 4.31Å; F381-Y386 HydrophobicContact CB-CD2 4.07Å; F381-Y386 AromaticContact CD1-CD2 3.98Å; F381-Y386 HydrophobicContact CD1-CD2 3.98Å; F381-Y386 HydrophobicContact CD1-CG 4.43Å; F381-Y386 HydrophobicContact CG-CD2 4.15Å; F381-Y386 HydrophobicContact CG-CG 4.39Å; K383-Y386 HydrophobicContact CB-CD1 4.48Å; K383-Y386 HydrophobicContact CB-CD2 4.27Å; K383-Y386 HydrophobicContact CB-CE1 4.44Å; K383-Y386 HydrophobicContact CB-CE2 4.24Å; K383-Y386 HydrophobicContact CB-CG 4.39Å; K383-Y386 HydrophobicContact CD-CE1 4.26Å; K383-Y386 HydrophobicContact CD-CE2 4.46Å; K383-Y386 HydrophobicContact CG-CE2 4.35Å; K383-Y386 WeakPolarHBondContact O-CB 3.45Å; K383-Y386 PolarHBondContact O-N 3.26Å; K383-Y386 VanDerWaalsContact O-N 3.13Å; F384-Y386 PolarHBondContact O-N 3.3Å; Y386-S388 PolarHBondContact O-N 2.69Å; Y386-S388 VanDerWaalsContact O-N 3.16Å; Y386-Y389 WeakPolarHBondContact O-CB 3.49Å; Y386-Y389 PolarHBondContact O-N 2.8Å
387	C	80.8	Confident	82.6	Confident	4 Å²	4	29.3 Å²	29.3	3%	0.027	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-58.3	-28.4	173.8	-64.5	0	0	0	0	112.9	F384 Q385 Y389 A390 C396 F406	F384-C387 VanDerWaalsContact O-CB 3.3Å; F384-C387 WeakPolarHBondContact O-CB 3.05Å; F384-C387 PolarHBondContact O-N 2.77Å; F384-C387 PolarHBondContact O-SG 2.88Å; Q385-C387 PolarHBondContact O-N 2.77Å; C387-Y389 PolarHBondContact O-N 3.19Å; C387-A390 CarbonylContact O-C 3.54Å; C387-A390 PolarHBondContact O-N 2.76Å; C387-C396 WeakPolarHBondContact CA-SG 3.22Å; C387-C396 HydrophobicContact CB-CB 3.78Å; C387-C396 WeakPolarHBondContact CB-SG 3.4Å; C387-C396 WeakPolarHBondContact SG-CB 3.23Å; C387-C396 CovalentContact SG-SG 2.03Å; C387-C396 PolarHBondContact SG-SG 2.86Å; C387-F406 HydrophobicContact CB-CE2 4.38Å
388	S	76	Confident	81.9	Confident	52 Å²	52	29.9 Å²	29.9	36%	0.364	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-60.3	-25.9	175.7	65.9	0	0	0	0	113.5	Q385 Y386 A390	Q385-S388 WeakPolarHBondContact O-CB 2.83Å; Q385-S388 PolarHBondContact O-N 3.35Å; Q385-S388 PolarHBondContact O-OG 3.32Å; Y386-S388 PolarHBondContact O-N 2.69Å; Y386-S388 VanDerWaalsContact O-N 3.16Å; S388-A390 VanDerWaalsContact C-N 3.34Å
389	Y	81.3	Confident	80.7	Confident	69 Å²	69	30.7 Å²	30.7	27%	0.271	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-84.1	-8.4	178.3	-62.4	-85.9	0	0	0	113.2	I365 T367 Y386 C387 P391	I365-Y389 HydrophobicContact CD1-CD2 4.06Å; I365-Y389 HydrophobicContact CD1-CG 4.26Å; I365-Y389 HydrophobicContact CG1-CD2 4.17Å; I365-Y389 HydrophobicContact CG1-CG 4.03Å; I365-Y389 HydrophobicContact CG2-CD1 4.28Å; I365-Y389 HydrophobicContact CG2-CD2 3.66Å; I365-Y389 HydrophobicContact CG2-CE1 4.11Å; I365-Y389 HydrophobicContact CG2-CE2 3.46Å; I365-Y389 VanDerWaalsContact CG2-CE2 3.46Å; I365-Y389 HydrophobicContact CG2-CG 4.07Å; I365-Y389 WeakPolarHBondContact O-CE1 3.36Å; T367-Y389 WeakPolarHBondContact CA-O 3.44Å; T367-Y389 HydrophobicContact CG2-CD1 4.19Å; Y386-Y389 WeakPolarHBondContact O-CB 3.49Å; Y386-Y389 PolarHBondContact O-N 2.8Å; C387-Y389 PolarHBondContact O-N 3.19Å; Y389-P391 WeakPolarHBondContact O-CD 3.47Å
390	A	85.3	Confident	79.3	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.168	C	C	.	.			trans	-125.5	59.5	179.5	0	0	0	0	0	112.1	Q55 F370 I379 F381 C387 S388 H392 V393	Q55-A390 PolarHBondContact NE2-O 2.92Å; F370-A390 HydrophobicContact CB-CB 4.48Å; F370-A390 HydrophobicContact CD2-CB 4.41Å; F370-A390 HydrophobicContact CG-CB 4.47Å; I379-A390 HydrophobicContact CD1-CB 4.3Å; I379-A390 HydrophobicContact CG2-CB 4.4Å; F381-A390 HydrophobicContact CE2-CB 4.36Å; C387-A390 CarbonylContact O-C 3.54Å; C387-A390 PolarHBondContact O-N 2.76Å; S388-A390 VanDerWaalsContact C-N 3.34Å; A390-H392 PolarHBondContact O-N 3.19Å; A390-V393 HydrophobicContact CB-CG2 3.91Å; A390-V393 PolarHBondContact O-N 3.28Å
391	P	79.4	Confident	77.9	Confident	41 Å²	41	33.8 Å²	33.8	27%	0.266	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-10.3	-174	31	-37.8	0	0	0	114.3	G42 Y389	G42-P391 WeakPolarHBondContact CA-O 3.48Å; G42-P391 PolarHBondContact N-O 2.82Å; G42-P391 VanDerWaalsContact N-O 3.08Å; Y389-P391 WeakPolarHBondContact O-CD 3.47Å
392	H	83.1	Confident	76.5	Confident	46 Å²	46	35.1 Å²	35.1	21%	0.213	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-8.7	178.8	61.3	-80.1	0	0	0	112.8	F370 A390	F370-H392 PolarHBondContact O-CE1 3.17Å; F370-H392 PolarHBondContact O-NE2 3.22Å; A390-H392 PolarHBondContact O-N 3.19Å
393	V	86.4	Confident	75.4	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.176	C	C	.	.			trans	-89.6	134.2	-176.8	-176.3	0	0	0	0	109.9	F44 Q55 L376 S377 I379 A390 S395	F44-V393 VanDerWaalsContact CE2-O 3.24Å; F44-V393 WeakPolarHBondContact CE2-O 3.36Å; F44-V393 WeakPolarHBondContact CZ-O 3.18Å; Q55-V393 VanDerWaalsContact CD-O 3.24Å; Q55-V393 VanDerWaalsContact CG-O 3.32Å; Q55-V393 WeakPolarHBondContact CG-O 3.46Å; Q55-V393 PolarHBondContact NE2-O 3.08Å; L376-V393 HydrophobicContact CB-CG2 4.15Å; L376-V393 HydrophobicContact CD2-CG2 3.66Å; L376-V393 HydrophobicContact CG-CG1 4.32Å; L376-V393 HydrophobicContact CG-CG2 3.89Å; S377-V393 VanDerWaalsContact C-CG1 3.49Å; S377-V393 VanDerWaalsContact O-CG1 3.3Å; S377-V393 WeakPolarHBondContact O-CG1 3.27Å; I379-V393 HydrophobicContact CB-CG1 4.07Å; I379-V393 HydrophobicContact CG2-CB 4.18Å; I379-V393 HydrophobicContact CG2-CG1 3.77Å; I379-V393 HydrophobicContact CG2-CG2 4.32Å; A390-V393 HydrophobicContact CB-CG2 3.91Å; A390-V393 PolarHBondContact O-N 3.28Å; V393-S395 WeakPolarHBondContact CG1-O 3.39Å
394	R	83	Confident	74.7	Confident	65 Å²	65	29.9 Å²	29.9	25%	0.245	16%	0.163	C	C	.	.	S	Bend	trans	-69.5	-49.4	-176.3	-176	-178.9	178.5	-151.1	-4	113.1	F44 Q58 A69 W72 S377	F44-R394 HydrophobicContact CB-CG 4.44Å; F44-R394 HydrophobicContact CD1-CB 3.85Å; F44-R394 HydrophobicContact CD1-CG 3.93Å; F44-R394 HydrophobicContact CD2-CG 4.39Å; F44-R394 HydrophobicContact CE1-CB 3.81Å; F44-R394 HydrophobicContact CE1-CG 4.38Å; F44-R394 HydrophobicContact CG-CB 4.27Å; F44-R394 HydrophobicContact CG-CG 3.96Å; F44-R394 VanDerWaalsContact CZ-CA 3.41Å; F44-R394 HydrophobicContact CZ-CB 4.21Å; Q58-R394 HydrophobicContact CB-CG 4.4Å; Q58-R394 HydrophobicContact CG-CG 4.24Å; A69-R394 PolarHBondContact O-NH2 3.27Å; W72-R394 PolarHBondContact O-NH1 3.42Å; W72-R394 VanDerWaalsContact O-NH1 3.08Å; S377-R394 PolarHBondContact O-N 2.85Å
395	S	85.3	Confident	74.3	Confident	2 Å²	2	30.6 Å²	30.6	1%	0.014	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	117.4	-175.6	-175.7	0	0	0	0	109.4	S377 H378 I379 V393	S377-S395 PolarHBondContact O-N 2.85Å; H378-S395 CarbonylContact C-O 3.41Å; H378-S395 WeakPolarHBondContact CA-O 3.35Å; I379-S395 PolarHBondContact N-O 3Å; V393-S395 WeakPolarHBondContact CG1-O 3.39Å
396	C	85	Confident	73.6	Confident	7 Å²	7	31.2 Å²	31.2	5%	0.047	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	129.1	176.5	-173	0	0	0	0	110.6	I379 C387 N399	I379-C396 HydrophobicContact CG2-CB 3.79Å; I379-C396 WeakPolarHBondContact CG2-SG 3.27Å; I379-C396 CarbonylContact O-C 3.31Å; I379-C396 VanDerWaalsContact O-CA 3.3Å; I379-C396 WeakPolarHBondContact O-CA 3.42Å; C387-C396 WeakPolarHBondContact CA-SG 3.22Å; C387-C396 HydrophobicContact CB-CB 3.78Å; C387-C396 WeakPolarHBondContact CB-SG 3.4Å; C387-C396 WeakPolarHBondContact SG-CB 3.23Å; C387-C396 CovalentContact SG-SG 2.03Å; C387-C396 PolarHBondContact SG-SG 2.86Å; C396-N399 PolarHBondContact O-OD1 3.29Å
397	K	80	Confident	72.7	Confident	54 Å²	54	33.2 Å²	33.2	24%	0.235	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	147.6	-178.9	-62.9	-66.9	176.4	-175	0	111.3	C59 I379 Y380 F381 N399	C59-K397 PolarHBondContact O-NZ 3.28Å; I379-K397 PolarHBondContact O-N 3.39Å; Y380-K397 HydrophobicContact CD1-CB 3.66Å; Y380-K397 HydrophobicContact CD1-CG 3.94Å; Y380-K397 HydrophobicContact CE1-CB 4.14Å; Y380-K397 HydrophobicContact CE1-CG 3.87Å; Y380-K397 HydrophobicContact CG-CB 4.49Å; F381-K397 PolarHBondContact N-O 3.33Å; K397-N399 WeakPolarHBondContact CD-OD1 3.23Å; K397-N399 PolarHBondContact NZ-ND2 3.23Å; K397-N399 PolarHBondContact NZ-OD1 3.02Å
398	P	73.6	Confident	72.5	Confident	44 Å²	44	34 Å²	34	29%	0.286	19%	0.185	S	C	.	.			cis	-78.2	153.1	-3.7	31.7	-36.3	0	0	0	112.9	F381 F384	F381-P398 WeakPolarHBondContact O-CD 3.17Å; F384-P398 WeakPolarHBondContact CA-O 3.31Å; F384-P398 HydrophobicContact CB-CG 4.25Å; F384-P398 WeakPolarHBondContact CB-O 3.13Å
399	N	63.9	Low	72.6	Confident	34 Å²	34	31.5 Å²	31.5	18%	0.182	17%	0.168	C	C	.	.			trans	-80.5	-20.5	179.2	-66.6	7.2	0	0	0	113	C396 K397	C396-N399 PolarHBondContact O-OD1 3.29Å; K397-N399 WeakPolarHBondContact CD-OD1 3.23Å; K397-N399 PolarHBondContact NZ-ND2 3.23Å; K397-N399 PolarHBondContact NZ-OD1 3.02Å
400	T	59.8	Low	72.5	Confident	68 Å²	68	28.3 Å²	28.3	42%	0.417	16%	0.155	S	C	.	.	B	Isolated β-bridge	trans	-150.7	154	-172.5	68	0	0	0	0	110.8	G402 S404	T400-G402 VanDerWaalsContact C-N 3.32Å; T400-S404 WeakPolarHBondContact CB-O 3.48Å
401	D	61	Low	71.9	Confident	38 Å²	38	30.5 Å²	30.5	20%	0.203	17%	0.173	C	C	.	.			trans	-92	10.4	164.6	61.8	2.1	0	0	0	112.2	F384 I403 S404 D666	F384-D401 HydrophobicContact CD1-CB 3.81Å; F384-D401 HydrophobicContact CE1-CB 3.71Å; F384-D401 WeakPolarHBondContact CE1-OD2 3.28Å; D401-I403 VanDerWaalsContact C-N 3.29Å; D401-I403 PolarHBondContact O-N 2.88Å; D401-I403 PolarHBondContact OD1-N 2.82Å; D401-S404 WeakPolarHBondContact OD1-CA 3.41Å; D401-S404 PolarHBondContact OD1-N 2.93Å; D401-S404 VanDerWaalsContact OD1-O 3.1Å; D401-S404 PolarHBondContact OD2-OG 2.81Å; D401-D666 WeakPolarHBondContact O-CB 3.49Å
402	G	57.4	Low	72	Confident	31 Å²	31	31.7 Å²	31.7	32%	0.32	18%	0.177	S	C	.	.	S	Bend	trans	83.6	-4.6	-177.2	0	0	0	0	0	115	T400 T667	T400-G402 VanDerWaalsContact C-N 3.32Å; G402-T667 VanDerWaalsContact CA-CG2 3.5Å; G402-T667 VanDerWaalsContact O-CG2 3.26Å; G402-T667 WeakPolarHBondContact O-CG2 3.41Å
403	I	59.7	Low	72	Confident	7 Å²	7	35.3 Å²	35.3	4%	0.036	20%	0.196	C	C	.	.	S	Bend	trans	-124.4	-52.7	-177	-48.5	160.4	0	0	0	108.7	D401 L409 L410 A411 V569 D666 S670	D401-I403 VanDerWaalsContact C-N 3.29Å; D401-I403 PolarHBondContact O-N 2.88Å; D401-I403 PolarHBondContact OD1-N 2.82Å; I403-L409 CarbonylContact C-O 3.38Å; I403-L410 HydrophobicContact CG2-CD2 4.32Å; I403-L410 CarbonylContact O-C 3.2Å; I403-L410 WeakPolarHBondContact O-CA 2.91Å; I403-A411 PolarHBondContact O-N 2.94Å; I403-V569 HydrophobicContact CG2-CG2 3.9Å; I403-D666 HydrophobicContact CD1-CB 4.04Å; I403-D666 WeakPolarHBondContact CD1-O 3.5Å; I403-D666 HydrophobicContact CG1-CB 4.4Å; I403-D666 WeakPolarHBondContact CG1-O 3.22Å; I403-S670 WeakPolarHBondContact CD1-OG 3.34Å; I403-S670 WeakPolarHBondContact CG1-OG 3.43Å; I403-S670 WeakPolarHBondContact CG2-OG 3.25Å
404	S	61.3	Low	71.9	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.007	22%	0.219	C	C	.	.			trans	-99.4	139.3	175.7	-31.4	0	0	0	0	109.2	T400 D401 D408 L409 Y479	T400-S404 WeakPolarHBondContact CB-O 3.48Å; D401-S404 WeakPolarHBondContact OD1-CA 3.41Å; D401-S404 PolarHBondContact OD1-N 2.93Å; D401-S404 VanDerWaalsContact OD1-O 3.1Å; D401-S404 PolarHBondContact OD2-OG 2.81Å; S404-D408 CarbonylContact C-O 3.43Å; S404-D408 WeakPolarHBondContact CA-O 3.37Å; S404-L409 VanDerWaalsContact CA-O 3.25Å; S404-L409 WeakPolarHBondContact CA-O 3.42Å; S404-L409 WeakPolarHBondContact CB-O 3.49Å; S404-L409 PolarHBondContact OG-O 3.41Å; S404-Y479 VanDerWaalsContact CB-CE1 3.42Å
405	S	63.2	Low	71.8	Confident	23 Å²	23	36.4 Å²	36.4	16%	0.161	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-92.8	174	162.3	70.1	0	0	0	0	109.2	E407 D408	S405-E407 PolarHBondContact O-N 3.07Å; S405-E407 PolarHBondContact OG-N 3.31Å; S405-D408 PolarHBondContact N-O 3.17Å; S405-D408 PolarHBondContact OG-N 3.28Å
406	F	58.5	Low	72	Confident	51 Å²	51	37.5 Å²	37.5	22%	0.224	21%	0.213	C	C	.	.	S	Bend	trans	-55.8	-29.8	170.7	-165.2	-87.1	0	0	0	112.6	A56 C387 N480	A56-F406 HydrophobicContact CB-CB 3.54Å; A56-F406 HydrophobicContact CB-CD1 3.51Å; A56-F406 HydrophobicContact CB-CD2 3.88Å; A56-F406 HydrophobicContact CB-CE1 4.08Å; A56-F406 HydrophobicContact CB-CE2 4.36Å; A56-F406 HydrophobicContact CB-CG 3.39Å; A56-F406 HydrophobicContact CB-CZ 4.46Å; C387-F406 HydrophobicContact CB-CE2 4.38Å; F406-N480 HydrophobicContact CD1-CB 4Å; F406-N480 HydrophobicContact CD2-CB 4.03Å; F406-N480 WeakPolarHBondContact CD2-ND2 3.46Å; F406-N480 HydrophobicContact CE1-CB 4.12Å; F406-N480 HydrophobicContact CE2-CB 4.19Å; F406-N480 WeakPolarHBondContact CE2-ND2 3.32Å; F406-N480 HydrophobicContact CG-CB 3.95Å; F406-N480 HydrophobicContact CZ-CB 4.23Å; F406-N480 WeakPolarHBondContact CZ-ND2 3.39Å; F406-N480 WeakPolarHBondContact O-CB 3.46Å; F406-N480 PolarHBondContact O-N 3.21Å
407	E	63.6	Low	72.2	Confident	61 Å²	61	41.8 Å²	41.8	29%	0.285	24%	0.238	S	C	.	.	S	Bend	trans	-97	-35.9	-174.2	-69.1	-169.7	176.6	0	0	113	S405 G477 Q478 Y479	S405-E407 PolarHBondContact O-N 3.07Å; S405-E407 PolarHBondContact OG-N 3.31Å; E407-G477 CarbonylContact O-C 3.53Å; E407-G477 WeakPolarHBondContact O-CA 3.28Å; E407-G477 PolarHBondContact O-N 3.22Å; E407-Q478 PolarHBondContact O-N 3.11Å; E407-Y479 WeakPolarHBondContact O-CB 3.31Å; E407-Y479 PolarHBondContact O-N 3.26Å
408	D	75.8	Confident	72.6	Confident	20 Å²	20	40 Å²	40	11%	0.107	23%	0.233	C	C	.	.			trans	-132.6	144.2	-167.7	-60.5	-46.3	0	0	0	112.6	S404 S405 R416 R476 G477	S404-D408 CarbonylContact C-O 3.43Å; S404-D408 WeakPolarHBondContact CA-O 3.37Å; S405-D408 PolarHBondContact N-O 3.17Å; S405-D408 PolarHBondContact OG-N 3.28Å; D408-R416 IonicContact OD2-CZ 2.88Å; D408-R416 IonicContact OD2-NH1 3.63Å; D408-R416 IonicContact OD2-NH2 3.93Å; D408-R416 PolarHBondContact OD2-NH2 3.07Å; D408-R476 WeakPolarHBondContact OD1-CA 3.24Å; D408-R476 WeakPolarHBondContact OD1-CG 3.16Å; D408-G477 PolarHBondContact OD1-N 3.43Å
409	L	77.6	Confident	73.5	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	-64	-41.3	177.5	177.3	68.3	0	0	0	112	I403 S404 D472 Y479 G568	I403-L409 CarbonylContact C-O 3.38Å; S404-L409 VanDerWaalsContact CA-O 3.25Å; S404-L409 WeakPolarHBondContact CA-O 3.42Å; S404-L409 WeakPolarHBondContact CB-O 3.49Å; S404-L409 PolarHBondContact OG-O 3.41Å; L409-D472 HydrophobicContact CB-CB 4.33Å; L409-D472 HydrophobicContact CD2-CB 4.16Å; L409-Y479 HydrophobicContact CB-CD2 4.02Å; L409-Y479 HydrophobicContact CB-CE2 4.12Å; L409-Y479 HydrophobicContact CB-CG 4.43Å; L409-Y479 HydrophobicContact CD1-CD2 4.14Å; L409-Y479 HydrophobicContact CD1-CE1 4.23Å; L409-Y479 HydrophobicContact CD1-CE2 3.37Å; L409-Y479 VanDerWaalsContact CD1-CZ 3.4Å; L409-Y479 WeakPolarHBondContact CD1-OH 3.4Å; L409-Y479 HydrophobicContact CG-CE2 4.32Å; L409-G568 WeakPolarHBondContact CD1-O 3.43Å
410	L	80.7	Confident	74.9	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.005	22%	0.224	C	C	.	.	S	Bend	trans	-114	104.9	171.9	-61.4	173.2	0	0	0	108.9	I403 N412 R416 V419 D472 V569 I674	I403-L410 HydrophobicContact CG2-CD2 4.32Å; I403-L410 CarbonylContact O-C 3.2Å; I403-L410 WeakPolarHBondContact O-CA 2.91Å; L410-N412 VanDerWaalsContact C-N 3.33Å; L410-N412 PolarHBondContact O-N 2.03Å; L410-R416 HydrophobicContact CB-CG 3.95Å; L410-R416 PolarHBondContact O-NE 3.39Å; L410-R416 PolarHBondContact O-NH2 3.26Å; L410-V419 HydrophobicContact CD1-CG2 3.78Å; L410-D472 WeakPolarHBondContact CB-OD1 3.49Å; L410-D472 HydrophobicContact CD1-CB 4.3Å; L410-D472 PolarHBondContact N-OD1 2.79Å; L410-V569 HydrophobicContact CD2-CG2 4.34Å; L410-I674 HydrophobicContact CD2-CD1 3.4Å
411	A	72.8	Confident	76.4	Confident	46 Å²	46	40 Å²	40	38%	0.38	23%	0.225	S	C	.	.			trans	-66.8	-33	-177.3	0	0	0	0	0	113	I403	I403-A411 PolarHBondContact O-N 2.94Å
412	N	80	Confident	77.9	Confident	66 Å²	66	38.9 Å²	38.9	35%	0.353	22%	0.219	S	C	.	.			trans	-87.9	125.6	-173.5	-166.7	-36.4	0	0	0	112.4	L410 V414 L415 R416	L410-N412 VanDerWaalsContact C-N 3.33Å; L410-N412 PolarHBondContact O-N 2.03Å; N412-V414 PolarHBondContact O-N 3.09Å; N412-V414 WeakPolarHBondContact OD1-CB 2.95Å; N412-V414 PolarHBondContact OD1-N 3.19Å; N412-L415 HydrophobicContact CB-CB 4.19Å; N412-L415 HydrophobicContact CB-CD1 3.93Å; N412-L415 HydrophobicContact CB-CG 4.07Å; N412-L415 PolarHBondContact O-N 2.8Å; N412-L415 VanDerWaalsContact O-N 3.15Å; N412-R416 PolarHBondContact O-N 2.96Å; N412-R416 VanDerWaalsContact O-N 3.1Å
413	M	82.9	Confident	79.6	Confident	123 Å²	123	37.5 Å²	37.5	61%	0.606	20%	0.204	S	C	*	.	H	α-helix	trans	-59.4	-33.3	177	-70.6	-65.9	-105.8	0	0	113.2	R416 V417	M413-R416 PolarHBondContact O-N 3.01Å; M413-R416 PolarHBondContact SD-NH1 3.47Å; M413-R416 VanDerWaalsContact SD-NH1 3.36Å; M413-V417 WeakPolarHBondContact O-CG2 3.3Å; M413-V417 PolarHBondContact O-N 3.44Å; M413-V417 VanDerWaalsContact O-N 3.13Å
414	V	84.5	Confident	81.2	Confident	81 Å²	81	43.1 Å²	43.1	49%	0.491	23%	0.229	S	C	.	.	H	α-helix	trans	-65.1	-48.3	176	-178	0	0	0	0	110.1	N412 R416 V417 S418 W671	N412-V414 PolarHBondContact O-N 3.09Å; N412-V414 WeakPolarHBondContact OD1-CB 2.95Å; N412-V414 PolarHBondContact OD1-N 3.19Å; V414-R416 VanDerWaalsContact C-N 3.28Å; V414-R416 PolarHBondContact O-N 3.39Å; V414-V417 PolarHBondContact O-N 2.91Å; V414-S418 WeakPolarHBondContact O-CB 3.35Å; V414-S418 PolarHBondContact O-N 3.24Å; V414-S418 PolarHBondContact O-OG 2.87Å; V414-W671 HydrophobicContact CB-CH2 4.13Å; V414-W671 HydrophobicContact CG1-CH2 3.81Å; V414-W671 HydrophobicContact CG1-CZ3 4.39Å
415	L	82.4	Confident	82.6	Confident	6 Å²	6	46.8 Å²	46.8	3%	0.031	25%	0.247	C	C	.	.	H	α-helix	trans	-58.5	-41.2	177.8	-73	173.8	0	0	0	111.3	N412 S418 V419 W671 I674	N412-L415 HydrophobicContact CB-CB 4.19Å; N412-L415 HydrophobicContact CB-CD1 3.93Å; N412-L415 HydrophobicContact CB-CG 4.07Å; N412-L415 PolarHBondContact O-N 2.8Å; N412-L415 VanDerWaalsContact O-N 3.15Å; L415-S418 PolarHBondContact O-N 3.29Å; L415-V419 VanDerWaalsContact O-CG2 3.31Å; L415-V419 WeakPolarHBondContact O-CG2 3.23Å; L415-V419 PolarHBondContact O-N 3.14Å; L415-W671 HydrophobicContact CD1-CZ2 4.33Å; L415-W671 HydrophobicContact CD2-CD2 3.66Å; L415-W671 HydrophobicContact CD2-CE3 3.57Å; L415-W671 HydrophobicContact CD2-CG 4.35Å; L415-W671 HydrophobicContact CD2-CH2 3.92Å; L415-W671 HydrophobicContact CD2-CZ2 3.99Å; L415-W671 HydrophobicContact CD2-CZ3 3.71Å; L415-W671 HydrophobicContact CG-CD2 4.33Å; L415-W671 HydrophobicContact CG-CE3 4.48Å; L415-W671 HydrophobicContact CG-CH2 4.04Å; L415-W671 HydrophobicContact CG-CZ2 3.86Å; L415-W671 HydrophobicContact CG-CZ3 4.34Å; L415-I674 HydrophobicContact CD2-CB 4.24Å; L415-I674 HydrophobicContact CD2-CD1 4.44Å; L415-I674 HydrophobicContact CD2-CG2 3.92Å
416	R	88.1	Confident	84	Confident	26 Å²	26	45.7 Å²	45.7	10%	0.098	24%	0.24	C	C	.	.	H	α-helix	trans	-59	-49.8	176.5	-67.2	178.7	-167.7	173.5	-2.6	112.5	D408 L410 N412 M413 V414 S418 W420	D408-R416 IonicContact OD2-CZ 2.88Å; D408-R416 IonicContact OD2-NH1 3.63Å; D408-R416 IonicContact OD2-NH2 3.93Å; D408-R416 PolarHBondContact OD2-NH2 3.07Å; L410-R416 HydrophobicContact CB-CG 3.95Å; L410-R416 PolarHBondContact O-NE 3.39Å; L410-R416 PolarHBondContact O-NH2 3.26Å; N412-R416 PolarHBondContact O-N 2.96Å; N412-R416 VanDerWaalsContact O-N 3.1Å; M413-R416 PolarHBondContact O-N 3.01Å; M413-R416 PolarHBondContact SD-NH1 3.47Å; M413-R416 VanDerWaalsContact SD-NH1 3.36Å; V414-R416 VanDerWaalsContact C-N 3.28Å; V414-R416 PolarHBondContact O-N 3.39Å; R416-S418 VanDerWaalsContact C-N 3.34Å; R416-W420 VanDerWaalsContact O-CD1 3.31Å
417	V	89.7	Confident	85.6	Confident	96 Å²	96	44.6 Å²	44.6	58%	0.582	24%	0.238	S	C	*	.	H	α-helix	trans	-65.2	-42.9	179.5	175.3	0	0	0	0	110.1	M413 V414 V419 W420 V421	M413-V417 WeakPolarHBondContact O-CG2 3.3Å; M413-V417 PolarHBondContact O-N 3.44Å; M413-V417 VanDerWaalsContact O-N 3.13Å; V414-V417 PolarHBondContact O-N 2.91Å; V417-V419 PolarHBondContact O-N 3.27Å; V417-W420 PolarHBondContact O-N 2.92Å; V417-V421 HydrophobicContact CG1-CG2 4.19Å; V417-V421 WeakPolarHBondContact O-CG2 3.14Å; V417-V421 PolarHBondContact O-N 2.55Å; V417-V421 VanDerWaalsContact O-N 3.08Å
418	S	87.8	Confident	86.9	Confident	17 Å²	17	48 Å²	48	12%	0.119	25%	0.252	C	S	.	.	H	α-helix	trans	-60.1	-41.9	179.1	-65.8	0	0	0	0	112.8	V414 L415 R416 W420 V421 M422	V414-S418 WeakPolarHBondContact O-CB 3.35Å; V414-S418 PolarHBondContact O-N 3.24Å; V414-S418 PolarHBondContact O-OG 2.87Å; L415-S418 PolarHBondContact O-N 3.29Å; R416-S418 VanDerWaalsContact C-N 3.34Å; S418-W420 VanDerWaalsContact C-N 3.34Å; S418-W420 PolarHBondContact O-N 2.72Å; S418-V421 PolarHBondContact O-N 3.24Å; S418-M422 WeakPolarHBondContact O-CB 3.44Å; S418-M422 VanDerWaalsContact O-CG 3.23Å; S418-M422 WeakPolarHBondContact O-CG 3.47Å; S418-M422 PolarHBondContact O-N 3.31Å
419	V	92.1	Very high	87.6	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.006	26%	0.256	C	S	.	.	H	α-helix	trans	-55.7	-49	178.3	168.6	0	0	0	0	111.2	L410 L415 V417 A423 L465 I674	L410-V419 HydrophobicContact CD1-CG2 3.78Å; L415-V419 VanDerWaalsContact O-CG2 3.31Å; L415-V419 WeakPolarHBondContact O-CG2 3.23Å; L415-V419 PolarHBondContact O-N 3.14Å; V417-V419 PolarHBondContact O-N 3.27Å; V419-A423 VanDerWaalsContact O-CB 3.23Å; V419-A423 WeakPolarHBondContact O-CB 3.45Å; V419-A423 PolarHBondContact O-N 3.24Å; V419-L465 HydrophobicContact CG1-CB 4.41Å; V419-L465 WeakPolarHBondContact CG1-O 3.25Å; V419-I674 HydrophobicContact CG2-CG2 3.39Å
420	W	93.4	Very high	88.2	Confident	73 Å²	73	47.9 Å²	47.9	28%	0.277	26%	0.256	S	S	.	.	H	α-helix	trans	-65.8	-46	179.5	-73.4	104.7	0	0	0	112.1	R416 V417 S418 M422 A423 F424 F466 V470 V473	R416-W420 VanDerWaalsContact O-CD1 3.31Å; V417-W420 PolarHBondContact O-N 2.92Å; S418-W420 VanDerWaalsContact C-N 3.34Å; S418-W420 PolarHBondContact O-N 2.72Å; W420-M422 PolarHBondContact O-N 2.93Å; W420-A423 PolarHBondContact O-N 3.5Å; W420-F424 AromaticContact CE3-CE2 3.77Å; W420-F424 HydrophobicContact CE3-CE2 3.77Å; W420-F424 HydrophobicContact CE3-CZ 4.3Å; W420-F424 HydrophobicContact CZ3-CE2 4.46Å; W420-F424 WeakPolarHBondContact O-CD2 3.24Å; W420-F424 PolarHBondContact O-N 3.47Å; W420-F466 HydrophobicContact CE3-CD2 4.47Å; W420-F466 HydrophobicContact CH2-CD2 4.45Å; W420-F466 HydrophobicContact CH2-CE2 4.24Å; W420-F466 AromaticContact CZ3-CD2 3.69Å; W420-F466 HydrophobicContact CZ3-CD2 3.69Å; W420-F466 AromaticContact CZ3-CE2 3.61Å; W420-F466 HydrophobicContact CZ3-CE2 3.61Å; W420-F466 HydrophobicContact CZ3-CZ 4.47Å; W420-V470 HydrophobicContact CH2-CG2 4.02Å; W420-V473 HydrophobicContact CZ2-CG2 4.31Å
421	V	92.3	Very high	88.6	Confident	71 Å²	71	52.6 Å²	52.6	43%	0.43	28%	0.281	S	S	.	.	H	α-helix	trans	-58.8	-48.3	179	171.2	0	0	0	0	110.7	V417 S418 F424 I425	V417-V421 HydrophobicContact CG1-CG2 4.19Å; V417-V421 WeakPolarHBondContact O-CG2 3.14Å; V417-V421 PolarHBondContact O-N 2.55Å; V417-V421 VanDerWaalsContact O-N 3.08Å; S418-V421 PolarHBondContact O-N 3.24Å; V421-F424 PolarHBondContact O-N 3.16Å; V421-I425 HydrophobicContact CG1-CD1 3.62Å; V421-I425 HydrophobicContact CG1-CG1 4.46Å; V421-I425 WeakPolarHBondContact O-CB 3.48Å; V421-I425 VanDerWaalsContact O-CG1 3.26Å; V421-I425 WeakPolarHBondContact O-CG1 2.98Å; V421-I425 PolarHBondContact O-N 3.42Å
422	M	91.3	Very high	89.3	Confident	16 Å²	16	54.4 Å²	54.4	8%	0.079	28%	0.283	C	S	.	.	H	α-helix	trans	-66	-42.1	179.4	-66.7	-54.4	-68.2	0	0	111.8	S418 W420 F424 I425 T426 L465 P678 I679 A682	S418-M422 WeakPolarHBondContact O-CB 3.44Å; S418-M422 VanDerWaalsContact O-CG 3.23Å; S418-M422 WeakPolarHBondContact O-CG 3.47Å; S418-M422 PolarHBondContact O-N 3.31Å; W420-M422 PolarHBondContact O-N 2.93Å; M422-F424 PolarHBondContact O-N 2.87Å; M422-I425 PolarHBondContact O-N 2.8Å; M422-T426 VanDerWaalsContact O-CB 3.31Å; M422-T426 WeakPolarHBondContact O-CB 3.47Å; M422-T426 WeakPolarHBondContact O-CG2 3.4Å; M422-T426 PolarHBondContact O-N 3.2Å; M422-T426 PolarHBondContact O-OG1 3.03Å; M422-L465 HydrophobicContact CB-CD1 3.76Å; M422-P678 HydrophobicContact CB-CB 4.48Å; M422-P678 VanDerWaalsContact CE-C 3.49Å; M422-P678 HydrophobicContact CE-CB 3.94Å; M422-P678 WeakPolarHBondContact CE-O 3.07Å; M422-I679 HydrophobicContact CE-CB 4.3Å; M422-I679 HydrophobicContact CE-CG1 3.71Å; M422-A682 HydrophobicContact CE-CB 3.53Å
423	A	94.3	Very high	89.6	Confident	2 Å²	2	51.6 Å²	51.6	2%	0.017	27%	0.269	C	S	.	.	H	α-helix	trans	-59.2	-44.5	176.2	0	0	0	0	0	112.2	V419 W420 T426 C427 L465 F466	V419-A423 VanDerWaalsContact O-CB 3.23Å; V419-A423 WeakPolarHBondContact O-CB 3.45Å; V419-A423 PolarHBondContact O-N 3.24Å; W420-A423 PolarHBondContact O-N 3.5Å; A423-T426 WeakPolarHBondContact CA-OG1 3.49Å; A423-T426 PolarHBondContact O-OG1 3.04Å; A423-C427 VanDerWaalsContact O-CB 3.31Å; A423-C427 WeakPolarHBondContact O-CB 3.28Å; A423-C427 PolarHBondContact O-N 3.23Å; A423-L465 HydrophobicContact CB-CB 3.8Å; A423-F466 HydrophobicContact CB-CB 4.33Å
424	F	93.1	Very high	89.8	Confident	125 Å²	125	47.5 Å²	47.5	55%	0.548	25%	0.249	S	C	.	.	H	α-helix	trans	-69.2	-44.9	178.7	-78.5	-63.5	0	0	0	112.6	W420 V421 M422 F428	W420-F424 AromaticContact CE3-CE2 3.77Å; W420-F424 HydrophobicContact CE3-CE2 3.77Å; W420-F424 HydrophobicContact CE3-CZ 4.3Å; W420-F424 HydrophobicContact CZ3-CE2 4.46Å; W420-F424 WeakPolarHBondContact O-CD2 3.24Å; W420-F424 PolarHBondContact O-N 3.47Å; V421-F424 PolarHBondContact O-N 3.16Å; M422-F424 PolarHBondContact O-N 2.87Å; F424-F428 WeakPolarHBondContact O-CB 3.37Å; F424-F428 PolarHBondContact O-N 3.34Å
425	I	91.2	Very high	89.7	Confident	77 Å²	77	45.1 Å²	45.1	40%	0.395	24%	0.24	S	C	.	.	H	α-helix	trans	-63.2	-45.4	179.8	-67.6	170.5	0	0	0	110.6	V421 M422 G429 A682	V421-I425 HydrophobicContact CG1-CD1 3.62Å; V421-I425 HydrophobicContact CG1-CG1 4.46Å; V421-I425 WeakPolarHBondContact O-CB 3.48Å; V421-I425 VanDerWaalsContact O-CG1 3.26Å; V421-I425 WeakPolarHBondContact O-CG1 2.98Å; V421-I425 PolarHBondContact O-N 3.42Å; M422-I425 PolarHBondContact O-N 2.8Å; I425-G429 VanDerWaalsContact O-CA 3.28Å; I425-G429 WeakPolarHBondContact O-CA 3.3Å; I425-G429 PolarHBondContact O-N 3.35Å; I425-A682 HydrophobicContact CG2-CB 3.88Å
426	T	92.1	Very high	89.6	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64.5	-51.9	179.7	50.7	0	0	0	0	111.6	M422 A423 N430 G462 A682	M422-T426 VanDerWaalsContact O-CB 3.31Å; M422-T426 WeakPolarHBondContact O-CB 3.47Å; M422-T426 WeakPolarHBondContact O-CG2 3.4Å; M422-T426 PolarHBondContact O-N 3.2Å; M422-T426 PolarHBondContact O-OG1 3.03Å; A423-T426 WeakPolarHBondContact CA-OG1 3.49Å; A423-T426 PolarHBondContact O-OG1 3.04Å; T426-N430 VanDerWaalsContact O-CB 3.32Å; T426-N430 WeakPolarHBondContact O-CB 3.31Å; T426-N430 PolarHBondContact O-N 2.92Å; T426-N430 PolarHBondContact O-ND2 2.66Å; T426-G462 WeakPolarHBondContact OG1-CA 3.32Å; T426-A682 HydrophobicContact CG2-CB 3.72Å
427	C	92.2	Very high	89	Confident	29 Å²	29	50.5 Å²	50.5	20%	0.196	27%	0.266	C	S	.	.	H	α-helix	trans	-64.1	-55.6	179.8	-79.3	0	0	0	0	112.1	A423 L431 G462	A423-C427 VanDerWaalsContact O-CB 3.31Å; A423-C427 WeakPolarHBondContact O-CB 3.28Å; A423-C427 PolarHBondContact O-N 3.23Å; C427-L431 WeakPolarHBondContact O-CB 3.41Å; C427-L431 WeakPolarHBondContact O-CD1 3.33Å; C427-L431 VanDerWaalsContact O-CG 3.24Å; C427-L431 WeakPolarHBondContact O-CG 3.31Å; C427-L431 PolarHBondContact O-N 3.46Å; C427-G462 VanDerWaalsContact SG-CA 3.59Å
428	F	91.3	Very high	88.6	Confident	131 Å²	131	49.4 Å²	49.4	58%	0.575	26%	0.262	S	S	*	.	H	α-helix	trans	-70.9	-39.9	-173.6	-169.5	-110.1	0	0	0	111.9	F424 L431 L432	F424-F428 WeakPolarHBondContact O-CB 3.37Å; F424-F428 PolarHBondContact O-N 3.34Å; F428-L431 PolarHBondContact O-N 3.02Å; F428-L432 HydrophobicContact CD1-CD1 3.61Å; F428-L432 HydrophobicContact CD1-CG 4.07Å; F428-L432 HydrophobicContact CE1-CD1 3.28Å; F428-L432 HydrophobicContact CE1-CD2 4.24Å; F428-L432 HydrophobicContact CE1-CG 3.81Å; F428-L432 HydrophobicContact CE2-CD2 4.43Å; F428-L432 HydrophobicContact CE2-CG 4.36Å; F428-L432 HydrophobicContact CG-CD1 4.46Å; F428-L432 HydrophobicContact CG-CG 4.48Å; F428-L432 HydrophobicContact CZ-CD1 3.88Å; F428-L432 HydrophobicContact CZ-CD2 3.96Å; F428-L432 HydrophobicContact CZ-CG 3.95Å; F428-L432 WeakPolarHBondContact O-CB 3.5Å; F428-L432 VanDerWaalsContact O-CG 3.3Å; F428-L432 WeakPolarHBondContact O-CG 3.23Å; F428-L432 PolarHBondContact O-N 2.97Å
429	G	89.4	Confident	88.1	Confident	18 Å²	18	55.7 Å²	55.7	19%	0.186	29%	0.294	C	S	.	.	H	α-helix	trans	-59.4	-48.7	177	0	0	0	0	0	112.1	I425 L432 V433	I425-G429 VanDerWaalsContact O-CA 3.28Å; I425-G429 WeakPolarHBondContact O-CA 3.3Å; I425-G429 PolarHBondContact O-N 3.35Å; G429-L432 PolarHBondContact O-N 3.31Å; G429-V433 WeakPolarHBondContact O-CG2 3.32Å; G429-V433 PolarHBondContact O-N 3.38Å; G429-V433 VanDerWaalsContact O-N 3.14Å
430	N	90.4	Very high	87	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-68.2	-40.5	179	-77.5	-71.7	0	0	0	112.5	T426 L432 V433 I434 C455 D458 S681 P685	T426-N430 VanDerWaalsContact O-CB 3.32Å; T426-N430 WeakPolarHBondContact O-CB 3.31Å; T426-N430 PolarHBondContact O-N 2.92Å; T426-N430 PolarHBondContact O-ND2 2.66Å; N430-L432 PolarHBondContact O-N 3.29Å; N430-V433 PolarHBondContact O-N 2.89Å; N430-I434 VanDerWaalsContact O-CG1 3.32Å; N430-I434 WeakPolarHBondContact O-CG1 3.17Å; N430-I434 PolarHBondContact O-N 3.28Å; N430-C455 HydrophobicContact CB-CB 4.02Å; N430-C455 WeakPolarHBondContact OD1-CA 3.37Å; N430-C455 PolarHBondContact OD1-SG 3.06Å; N430-D458 WeakPolarHBondContact ND2-CB 3.48Å; N430-S681 PolarHBondContact ND2-O 2.95Å; N430-P685 HydrophobicContact CB-CG 4.29Å; N430-P685 VanDerWaalsContact CG-CG 3.41Å; N430-P685 WeakPolarHBondContact ND2-CG 3.35Å; N430-P685 VanDerWaalsContact OD1-CG 3.3Å; N430-P685 WeakPolarHBondContact OD1-CG 3.45Å
431	L	90.3	Very high	85.2	Confident	100 Å²	100	66.9 Å²	66.9	52%	0.524	34%	0.34	S	S	.	.	H	α-helix	trans	-61.3	-42.5	175.1	-76.6	169.4	0	0	0	112.4	C427 F428 V433 I434 G435	C427-L431 WeakPolarHBondContact O-CB 3.41Å; C427-L431 WeakPolarHBondContact O-CD1 3.33Å; C427-L431 VanDerWaalsContact O-CG 3.24Å; C427-L431 WeakPolarHBondContact O-CG 3.31Å; C427-L431 PolarHBondContact O-N 3.46Å; F428-L431 PolarHBondContact O-N 3.02Å; L431-V433 VanDerWaalsContact C-N 3.34Å; L431-V433 PolarHBondContact O-N 2.96Å; L431-I434 PolarHBondContact O-N 3.07Å; L431-G435 PolarHBondContact O-N 3.34Å
432	L	87.4	Confident	83.6	Confident	84 Å²	84	65.2 Å²	65.2	44%	0.44	33%	0.334	S	S	.	.	H	α-helix	trans	-61	-42.3	175.3	-79.2	-179.9	0	0	0	111.9	F428 G429 N430 G435 M436	F428-L432 HydrophobicContact CD1-CD1 3.61Å; F428-L432 HydrophobicContact CD1-CG 4.07Å; F428-L432 HydrophobicContact CE1-CD1 3.28Å; F428-L432 HydrophobicContact CE1-CD2 4.24Å; F428-L432 HydrophobicContact CE1-CG 3.81Å; F428-L432 HydrophobicContact CE2-CD2 4.43Å; F428-L432 HydrophobicContact CE2-CG 4.36Å; F428-L432 HydrophobicContact CG-CD1 4.46Å; F428-L432 HydrophobicContact CG-CG 4.48Å; F428-L432 HydrophobicContact CZ-CD1 3.88Å; F428-L432 HydrophobicContact CZ-CD2 3.96Å; F428-L432 HydrophobicContact CZ-CG 3.95Å; F428-L432 WeakPolarHBondContact O-CB 3.5Å; F428-L432 VanDerWaalsContact O-CG 3.3Å; F428-L432 WeakPolarHBondContact O-CG 3.23Å; F428-L432 PolarHBondContact O-N 2.97Å; G429-L432 PolarHBondContact O-N 3.31Å; N430-L432 PolarHBondContact O-N 3.29Å; L432-G435 PolarHBondContact O-N 3.29Å; L432-M436 VanDerWaalsContact O-CB 3.31Å; L432-M436 WeakPolarHBondContact O-CB 3.5Å; L432-M436 VanDerWaalsContact O-CG 3.3Å; L432-M436 WeakPolarHBondContact O-CG 3.2Å; L432-M436 PolarHBondContact O-N 3.01Å
433	V	85.3	Confident	81.8	Confident	7 Å²	7	73.7 Å²	73.7	4%	0.042	37%	0.373	C	S	.	.	H	α-helix	trans	-64.9	-41.8	178	172.8	0	0	0	0	111.4	G429 N430 L431 R437 I451 P685 T689	G429-V433 WeakPolarHBondContact O-CG2 3.32Å; G429-V433 PolarHBondContact O-N 3.38Å; G429-V433 VanDerWaalsContact O-N 3.14Å; N430-V433 PolarHBondContact O-N 2.89Å; L431-V433 VanDerWaalsContact C-N 3.34Å; L431-V433 PolarHBondContact O-N 2.96Å; V433-R437 HydrophobicContact CG1-CG 4.49Å; V433-R437 WeakPolarHBondContact O-CB 3.38Å; V433-R437 WeakPolarHBondContact O-CG 3.3Å; V433-R437 PolarHBondContact O-N 3.44Å; V433-I451 HydrophobicContact CG1-CG2 4.34Å; V433-P685 HydrophobicContact CG2-CB 3.75Å; V433-T689 VanDerWaalsContact CG2-OG1 3.29Å; V433-T689 WeakPolarHBondContact CG2-OG1 3.2Å
434	I	87.2	Confident	80.5	Confident	38 Å²	38	79.1 Å²	79.1	20%	0.195	40%	0.402	C	S	.	.	H	α-helix	trans	-60.5	-46.9	174.8	-67	165.3	0	0	0	110.3	N430 L431 S438 C455	N430-I434 VanDerWaalsContact O-CG1 3.32Å; N430-I434 WeakPolarHBondContact O-CG1 3.17Å; N430-I434 PolarHBondContact O-N 3.28Å; L431-I434 PolarHBondContact O-N 3.07Å; I434-S438 VanDerWaalsContact O-CB 3.29Å; I434-S438 WeakPolarHBondContact O-CB 3.34Å; I434-S438 PolarHBondContact O-N 2.97Å; I434-S438 PolarHBondContact O-OG 3.11Å; I434-C455 HydrophobicContact CD1-CB 3.68Å; I434-C455 HydrophobicContact CG1-CB 3.57Å
435	G	82.6	Confident	79.5	Confident	30 Å²	30	78.4 Å²	78.4	31%	0.309	40%	0.404	S	S	.	.	H	α-helix	trans	-62.4	-53.5	178.2	0	0	0	0	0	112.6	L431 L432 R437 S438 L439	L431-G435 PolarHBondContact O-N 3.34Å; L432-G435 PolarHBondContact O-N 3.29Å; G435-R437 VanDerWaalsContact C-N 3.33Å; G435-R437 PolarHBondContact O-N 3.28Å; G435-S438 PolarHBondContact O-N 3.5Å; G435-L439 WeakPolarHBondContact O-CG 3.46Å; G435-L439 PolarHBondContact O-N 3.31Å
436	M	79.6	Confident	78.8	Confident	102 Å²	102	76.9 Å²	76.9	50%	0.502	40%	0.396	S	S	.	.	H	α-helix	trans	-55.6	-46.2	178.9	-78.4	-69	-166.3	0	0	112.1	L432 S438 L439 I440	L432-M436 VanDerWaalsContact O-CB 3.31Å; L432-M436 WeakPolarHBondContact O-CB 3.5Å; L432-M436 VanDerWaalsContact O-CG 3.3Å; L432-M436 WeakPolarHBondContact O-CG 3.2Å; L432-M436 PolarHBondContact O-N 3.01Å; M436-S438 VanDerWaalsContact C-N 3.28Å; M436-S438 PolarHBondContact O-N 3.36Å; M436-L439 PolarHBondContact O-N 3.34Å; M436-I440 WeakPolarHBondContact O-CB 3.15Å; M436-I440 WeakPolarHBondContact O-CG1 3.46Å; M436-I440 PolarHBondContact O-N 3.22Å; M436-I440 HydrophobicContact SD-CD1 4.49Å
437	R	77.2	Confident	78.1	Confident	44 Å²	44	78.1 Å²	78.1	17%	0.166	40%	0.402	C	S	.	.	H	α-helix	trans	-76	-13.3	179.7	-70.2	-173.6	172.8	-109	6.3	114.1	V433 G435 Y688	V433-R437 HydrophobicContact CG1-CG 4.49Å; V433-R437 WeakPolarHBondContact O-CB 3.38Å; V433-R437 WeakPolarHBondContact O-CG 3.3Å; V433-R437 PolarHBondContact O-N 3.44Å; G435-R437 VanDerWaalsContact C-N 3.33Å; G435-R437 PolarHBondContact O-N 3.28Å; R437-Y688 PolarHBondContact NH2-O 2.89Å; R437-Y688 VanDerWaalsContact NH2-O 3.1Å
438	S	80.3	Confident	77.4	Confident	72 Å²	72	77 Å²	77	50%	0.503	40%	0.395	S	S	.	.	H	α-helix	trans	-87.8	-29.4	172.7	-59.8	0	0	0	0	112.1	I434 G435 M436	I434-S438 VanDerWaalsContact O-CB 3.29Å; I434-S438 WeakPolarHBondContact O-CB 3.34Å; I434-S438 PolarHBondContact O-N 2.97Å; I434-S438 PolarHBondContact O-OG 3.11Å; G435-S438 PolarHBondContact O-N 3.5Å; M436-S438 VanDerWaalsContact C-N 3.28Å; M436-S438 PolarHBondContact O-N 3.36Å
439	L	76.6	Confident	77	Confident	150 Å²	150	72.5 Å²	72.5	79%	0.785	38%	0.382	S	S	*	.	H	α-helix	trans	-83.3	-38.3	177.8	-66.7	173	0	0	0	112.8	G435 M436 R441	G435-L439 WeakPolarHBondContact O-CG 3.46Å; G435-L439 PolarHBondContact O-N 3.31Å; M436-L439 PolarHBondContact O-N 3.34Å; L439-R441 PolarHBondContact O-N 3.48Å
440	I	69.4	Low	76.8	Confident	64 Å²	64	71.7 Å²	71.7	33%	0.328	37%	0.373	S	S	.	.	S	Bend	trans	-87.3	113	-179.7	-59.1	163.7	0	0	0	108.5	M436 A442 F694	M436-I440 WeakPolarHBondContact O-CB 3.15Å; M436-I440 WeakPolarHBondContact O-CG1 3.46Å; M436-I440 PolarHBondContact O-N 3.22Å; M436-I440 HydrophobicContact SD-CD1 4.49Å; I440-A442 PolarHBondContact O-N 3.47Å; I440-F694 HydrophobicContact CD1-CD1 3.69Å; I440-F694 HydrophobicContact CD1-CE1 3.42Å; I440-F694 VanDerWaalsContact CD1-CE1 3.42Å; I440-F694 HydrophobicContact CD1-CZ 4.07Å; I440-F694 HydrophobicContact CG1-CE1 4.33Å
441	R	56.9	Low	76.5	Confident	245 Å²	245	71.9 Å²	71.9	93%	0.925	37%	0.374	S	S	*	.			trans	-64.1	96.6	178.6	-159.4	173.1	-169.5	172	2.1	109.6	L439	L439-R441 PolarHBondContact O-N 3.48Å
442	A	58	Low	76.4	Confident	35 Å²	35	70.5 Å²	70.5	29%	0.289	36%	0.364	S	S	.	.			trans	-74.2	145.9	-175.5	0	0	0	0	0	112.3	I440 N444 A448	I440-A442 PolarHBondContact O-N 3.47Å; A442-N444 PolarHBondContact O-N 3Å; A442-A448 HydrophobicContact CB-CB 4.19Å
443	E	53.6	Low	76.5	Confident	194 Å²	194	68.3 Å²	68.3	91%	0.907	35%	0.354	S	S	*	.	S	Bend	trans	-63.6	-26.9	179.5	-147.8	174.2	-173.6	0	0	112.7
444	N	66	Low	76.7	Confident	116 Å²	116	68 Å²	68	62%	0.62	35%	0.352	S	S	*	.			trans	-125.8	93.5	177.8	-77.1	-40.9	0	0	0	112.1	A442 L446 H447 A448	A442-N444 PolarHBondContact O-N 3Å; N444-L446 VanDerWaalsContact C-N 3.27Å; N444-L446 PolarHBondContact O-N 3.25Å; N444-H447 HydrophobicContact CB-CB 4.42Å; N444-H447 PolarHBondContact O-N 3.05Å; N444-A448 PolarHBondContact O-N 3.01Å
445	N	72.8	Confident	76.9	Confident	111 Å²	111	66.1 Å²	66.1	59%	0.594	34%	0.343	S	S	*	.	H	α-helix	trans	-58.9	-31.8	-178.1	-70.9	-41.1	0	0	0	114.2	A449	N445-A449 WeakPolarHBondContact O-CB 3.37Å; N445-A449 PolarHBondContact O-N 3.38Å; N445-A449 VanDerWaalsContact O-N 3.11Å
446	L	75.6	Confident	77.4	Confident	44 Å²	44	67.6 Å²	67.6	23%	0.23	35%	0.347	C	S	.	.	H	α-helix	trans	-70.7	-52.2	-177.6	-167.2	101	0	0	0	111.9	N444 A448 A449 C450 K532 T535	N444-L446 VanDerWaalsContact C-N 3.27Å; N444-L446 PolarHBondContact O-N 3.25Å; L446-A448 VanDerWaalsContact C-N 3.28Å; L446-A448 PolarHBondContact O-N 3.43Å; L446-A449 WeakPolarHBondContact O-CA 3.41Å; L446-A449 WeakPolarHBondContact O-CB 3.38Å; L446-A449 PolarHBondContact O-N 3.12Å; L446-C450 PolarHBondContact O-N 3.05Å; L446-C450 VanDerWaalsContact O-N 3.08Å; L446-C450 PolarHBondContact O-SG 3.39Å; L446-K532 HydrophobicContact CD1-CB 4.32Å; L446-K532 HydrophobicContact CD1-CG 4.01Å; L446-T535 HydrophobicContact CD1-CG2 3.97Å; L446-T535 HydrophobicContact CD2-CG2 4.19Å; L446-T535 HydrophobicContact CG-CG2 4.01Å
447	H	77.4	Confident	78.1	Confident	26 Å²	26	62.7 Å²	62.7	12%	0.12	32%	0.323	C	S	.	.	H	α-helix	trans	-64.7	-35.1	-179.9	-173.6	56.1	0	0	0	111.9	N444 A449 C450 I451 K517 F637	N444-H447 HydrophobicContact CB-CB 4.42Å; N444-H447 PolarHBondContact O-N 3.05Å; H447-A449 VanDerWaalsContact C-N 3.31Å; H447-C450 PolarHBondContact O-N 3.32Å; H447-I451 WeakPolarHBondContact O-CG1 3.29Å; H447-I451 PolarHBondContact O-N 3Å; H447-K517 VanDerWaalsContact CE1-CE 3.46Å; H447-K517 WeakPolarHBondContact CE1-CE 3.4Å; H447-K517 PolarHBondContact ND1-NZ 2.93Å; H447-F637 AromaticContact CE1-CZ 3.8Å; H447-F637 AromaticContact NE2-CZ 3.81Å
448	A	78.7	Confident	78.9	Confident	6 Å²	6	60.6 Å²	60.6	5%	0.05	32%	0.315	C	S	.	.	H	α-helix	trans	-64.9	-34.2	171.5	0	0	0	0	0	112.4	A442 N444 L446 K452	A442-A448 HydrophobicContact CB-CB 4.19Å; N444-A448 PolarHBondContact O-N 3.01Å; L446-A448 VanDerWaalsContact C-N 3.28Å; L446-A448 PolarHBondContact O-N 3.43Å; A448-K452 WeakPolarHBondContact O-CG 3.4Å; A448-K452 PolarHBondContact O-N 3.35Å; A448-K452 VanDerWaalsContact O-N 3.15Å
449	A	83.1	Confident	79.5	Confident	36 Å²	36	58.4 Å²	58.4	30%	0.298	30%	0.299	S	S	.	.	H	α-helix	trans	-67.6	-44.6	175.1	0	0	0	0	0	112.3	N445 L446 H447 I451 K452 V453	N445-A449 WeakPolarHBondContact O-CB 3.37Å; N445-A449 PolarHBondContact O-N 3.38Å; N445-A449 VanDerWaalsContact O-N 3.11Å; L446-A449 WeakPolarHBondContact O-CA 3.41Å; L446-A449 WeakPolarHBondContact O-CB 3.38Å; L446-A449 PolarHBondContact O-N 3.12Å; H447-A449 VanDerWaalsContact C-N 3.31Å; A449-I451 PolarHBondContact O-N 3.45Å; A449-K452 WeakPolarHBondContact O-CB 3.47Å; A449-K452 PolarHBondContact O-N 3.21Å; A449-K452 VanDerWaalsContact O-N 3.17Å; A449-V453 WeakPolarHBondContact O-CG2 3.45Å; A449-V453 PolarHBondContact O-N 2.86Å
450	C	85.3	Confident	80.4	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.014	27%	0.272	C	S	.	.	H	α-helix	trans	-60	-43.2	177.5	-58.7	0	0	0	0	112.3	L446 H447 K452 V453 L454 L513	L446-C450 PolarHBondContact O-N 3.05Å; L446-C450 VanDerWaalsContact O-N 3.08Å; L446-C450 PolarHBondContact O-SG 3.39Å; H447-C450 PolarHBondContact O-N 3.32Å; C450-K452 VanDerWaalsContact C-N 3.34Å; C450-K452 PolarHBondContact O-N 3.33Å; C450-V453 PolarHBondContact O-N 3.21Å; C450-L454 PolarHBondContact O-N 3.24Å; C450-L513 HydrophobicContact CB-CD2 3.5Å; C450-L513 HydrophobicContact CB-CG 4.45Å
451	I	83.9	Confident	81.6	Confident	3 Å²	3	50.1 Å²	50.1	2%	0.015	26%	0.256	C	S	.	.	H	α-helix	trans	-64.2	-39	176.5	-66.3	169.8	0	0	0	111.1	V433 H447 A449 V453 L454 C455 Y688	V433-I451 HydrophobicContact CG1-CG2 4.34Å; H447-I451 WeakPolarHBondContact O-CG1 3.29Å; H447-I451 PolarHBondContact O-N 3Å; A449-I451 PolarHBondContact O-N 3.45Å; I451-V453 VanDerWaalsContact C-N 3.33Å; I451-V453 PolarHBondContact O-N 2.94Å; I451-L454 PolarHBondContact O-N 3.4Å; I451-C455 PolarHBondContact O-N 2.88Å; I451-C455 PolarHBondContact O-SG 3.25Å; I451-C455 VanDerWaalsContact O-SG 3.37Å; I451-Y688 HydrophobicContact CG2-CD2 4.04Å; I451-Y688 HydrophobicContact CG2-CG 4.17Å
452	K	87	Confident	83.3	Confident	71 Å²	71	38.4 Å²	38.4	31%	0.309	21%	0.212	S	C	.	.	H	α-helix	trans	-61.1	-42.9	175	-76	-175.7	-64.1	179.6	0	111.8	A448 A449 C450 L454 C455 C456	A448-K452 WeakPolarHBondContact O-CG 3.4Å; A448-K452 PolarHBondContact O-N 3.35Å; A448-K452 VanDerWaalsContact O-N 3.15Å; A449-K452 WeakPolarHBondContact O-CB 3.47Å; A449-K452 PolarHBondContact O-N 3.21Å; A449-K452 VanDerWaalsContact O-N 3.17Å; C450-K452 VanDerWaalsContact C-N 3.34Å; C450-K452 PolarHBondContact O-N 3.33Å; K452-L454 VanDerWaalsContact C-N 3.34Å; K452-C455 PolarHBondContact O-N 3.24Å; K452-C456 PolarHBondContact O-N 3Å; K452-C456 PolarHBondContact O-SG 3.24Å
453	V	90.8	Very high	85.1	Confident	38 Å²	38	39.1 Å²	39.1	23%	0.23	21%	0.213	C	C	.	.	H	α-helix	trans	-65.1	-38.4	178	175.7	0	0	0	0	111.6	A449 C450 I451 C456 A457 L509 L539	A449-V453 WeakPolarHBondContact O-CG2 3.45Å; A449-V453 PolarHBondContact O-N 2.86Å; C450-V453 PolarHBondContact O-N 3.21Å; I451-V453 VanDerWaalsContact C-N 3.33Å; I451-V453 PolarHBondContact O-N 2.94Å; V453-C456 WeakPolarHBondContact O-CB 3.35Å; V453-C456 PolarHBondContact O-N 3.32Å; V453-A457 PolarHBondContact O-N 3.22Å; V453-L509 HydrophobicContact CG1-CD1 3.98Å; V453-L509 HydrophobicContact CG1-CD2 4.32Å; V453-L539 HydrophobicContact CG2-CD1 4.35Å
454	L	89.6	Confident	87.1	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.3	-45	173.8	179.7	58.9	0	0	0	112.1	C450 I451 K452 C456 A457 D458 L509 L510 L513 Y688	C450-L454 PolarHBondContact O-N 3.24Å; I451-L454 PolarHBondContact O-N 3.4Å; K452-L454 VanDerWaalsContact C-N 3.34Å; L454-C456 PolarHBondContact O-N 3.36Å; L454-A457 WeakPolarHBondContact O-CB 3.31Å; L454-A457 PolarHBondContact O-N 3.35Å; L454-D458 PolarHBondContact O-N 3.08Å; L454-L509 HydrophobicContact CB-CD1 4.21Å; L454-L509 HydrophobicContact CD1-CB 3.99Å; L454-L509 HydrophobicContact CD1-CD1 4.13Å; L454-L510 HydrophobicContact CD2-CD2 3.83Å; L454-L510 HydrophobicContact CD2-CG 4.27Å; L454-L513 HydrophobicContact CD2-CD1 3.88Å; L454-Y688 HydrophobicContact CD2-CE2 3.9Å; L454-Y688 WeakPolarHBondContact CD2-OH 3.18Å
455	C	91.3	Very high	88.4	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61	-31.6	174.5	-70.6	0	0	0	0	112.7	N430 I434 I451 K452 C459	N430-C455 HydrophobicContact CB-CB 4.02Å; N430-C455 WeakPolarHBondContact OD1-CA 3.37Å; N430-C455 PolarHBondContact OD1-SG 3.06Å; I434-C455 HydrophobicContact CD1-CB 3.68Å; I434-C455 HydrophobicContact CG1-CB 3.57Å; I451-C455 PolarHBondContact O-N 2.88Å; I451-C455 PolarHBondContact O-SG 3.25Å; I451-C455 VanDerWaalsContact O-SG 3.37Å; K452-C455 PolarHBondContact O-N 3.24Å; C455-C459 WeakPolarHBondContact O-CB 3.25Å; C455-C459 PolarHBondContact O-N 3.09Å
456	C	92.8	Very high	89.4	Confident	60 Å²	60	23 Å²	23	41%	0.405	13%	0.129	S	C	.	.	H	α-helix	trans	-65.6	-41	172.6	-67.9	0	0	0	0	111.9	K452 V453 L454 W543	K452-C456 PolarHBondContact O-N 3Å; K452-C456 PolarHBondContact O-SG 3.24Å; V453-C456 WeakPolarHBondContact O-CB 3.35Å; V453-C456 PolarHBondContact O-N 3.32Å; L454-C456 PolarHBondContact O-N 3.36Å; C456-W543 HydrophobicContact CB-CZ2 4.43Å
457	A	93.9	Very high	90.3	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64.5	-50.9	174.9	0	0	0	0	0	110.6	V453 L454 C459 L460 S502 V505 L509 W543	V453-A457 PolarHBondContact O-N 3.22Å; L454-A457 WeakPolarHBondContact O-CB 3.31Å; L454-A457 PolarHBondContact O-N 3.35Å; A457-C459 PolarHBondContact O-N 2.84Å; A457-L460 VanDerWaalsContact O-CB 3.3Å; A457-L460 WeakPolarHBondContact O-CB 3.44Å; A457-L460 PolarHBondContact O-N 3.44Å; A457-S502 PolarHBondContact O-OG 3.28Å; A457-V505 HydrophobicContact CB-CB 4.3Å; A457-V505 HydrophobicContact CB-CG1 3.81Å; A457-L509 HydrophobicContact CB-CD1 4.42Å; A457-W543 HydrophobicContact CB-CZ2 4.16Å
458	D	93.2	Very high	91	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-59.6	-29.8	179.1	-79.7	-28.1	0	0	0	113.5	N430 L454 L460 M461 G462 S506 S681 N684	N430-D458 WeakPolarHBondContact ND2-CB 3.48Å; L454-D458 PolarHBondContact O-N 3.08Å; D458-L460 VanDerWaalsContact C-N 3.28Å; D458-L460 PolarHBondContact O-N 2.02Å; D458-M461 WeakPolarHBondContact O-CB 3.22Å; D458-M461 PolarHBondContact O-N 3.01Å; D458-G462 PolarHBondContact O-N 2.77Å; D458-S506 PolarHBondContact OD1-OG 3Å; D458-S681 WeakPolarHBondContact OD1-CA 3.25Å; D458-S681 WeakPolarHBondContact OD1-CB 3.33Å; D458-S681 PolarHBondContact OD1-OG 3Å; D458-N684 PolarHBondContact OD2-ND2 3.04Å
459	C	94	Very high	91.6	Very high	25 Å²	25	23.5 Å²	23.5	17%	0.169	13%	0.129	C	C	.	.	H	α-helix	trans	-66.3	-29.8	174.8	-165.8	0	0	0	0	112.5	C455 A457 M461 G462 V463	C455-C459 WeakPolarHBondContact O-CB 3.25Å; C455-C459 PolarHBondContact O-N 3.09Å; A457-C459 PolarHBondContact O-N 2.84Å; C459-M461 VanDerWaalsContact C-N 3.34Å; C459-G462 PolarHBondContact O-N 3.31Å; C459-V463 WeakPolarHBondContact O-CG2 3.41Å; C459-V463 PolarHBondContact O-N 3.3Å
460	L	94.9	Very high	92.1	Very high	39 Å²	39	24.4 Å²	24.4	20%	0.204	13%	0.13	C	C	.	.	H	α-helix	trans	-65.9	-36.4	177	-64.3	178.3	0	0	0	111.5	A457 D458 G462 V463 Y464 L498 L501 W543	A457-L460 VanDerWaalsContact O-CB 3.3Å; A457-L460 WeakPolarHBondContact O-CB 3.44Å; A457-L460 PolarHBondContact O-N 3.44Å; D458-L460 VanDerWaalsContact C-N 3.28Å; D458-L460 PolarHBondContact O-N 2.02Å; L460-G462 VanDerWaalsContact C-N 3.3Å; L460-G462 PolarHBondContact O-N 2.69Å; L460-V463 PolarHBondContact O-N 3.24Å; L460-Y464 PolarHBondContact O-N 2.77Å; L460-L498 HydrophobicContact CD2-CD2 4.37Å; L460-L501 HydrophobicContact CD1-CD2 4.05Å; L460-L501 HydrophobicContact CD1-CG 4.4Å; L460-W543 HydrophobicContact CD1-CH2 3.83Å; L460-W543 HydrophobicContact CD1-CZ3 4.14Å
461	M	93.8	Very high	92.3	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-59.2	-42.1	171.4	-174	56.3	58.6	0	0	111.5	D458 C459 Y464 L465 A499 S502 L677 P678	D458-M461 WeakPolarHBondContact O-CB 3.22Å; D458-M461 PolarHBondContact O-N 3.01Å; C459-M461 VanDerWaalsContact C-N 3.34Å; M461-Y464 WeakPolarHBondContact O-CB 3.45Å; M461-Y464 PolarHBondContact O-N 3.05Å; M461-Y464 HydrophobicContact SD-CD1 3.62Å; M461-Y464 HydrophobicContact SD-CE1 4.08Å; M461-L465 PolarHBondContact O-N 3.04Å; M461-A499 HydrophobicContact CE-CB 4.42Å; M461-A499 WeakPolarHBondContact CE-O 3.29Å; M461-S502 WeakPolarHBondContact CB-OG 3.48Å; M461-S502 PolarHBondContact N-OG 3.03Å; M461-S502 VanDerWaalsContact N-OG 3.08Å; M461-L677 HydrophobicContact CE-CD2 3.21Å; M461-L677 HydrophobicContact SD-CD2 3.75Å; M461-P678 HydrophobicContact CG-CB 4.19Å; M461-P678 HydrophobicContact CG-CG 4.33Å; M461-P678 HydrophobicContact SD-CG 4.29Å
462	G	94	Very high	92.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64.8	-39.4	176.8	0	0	0	0	0	113.3	T426 C427 D458 C459 L460 L465 F466	T426-G462 WeakPolarHBondContact OG1-CA 3.32Å; C427-G462 VanDerWaalsContact SG-CA 3.59Å; D458-G462 PolarHBondContact O-N 2.77Å; C459-G462 PolarHBondContact O-N 3.31Å; L460-G462 VanDerWaalsContact C-N 3.3Å; L460-G462 PolarHBondContact O-N 2.69Å; G462-L465 PolarHBondContact O-N 2.81Å; G462-F466 WeakPolarHBondContact O-CB 3.48Å; G462-F466 PolarHBondContact O-N 2.74Å
463	V	95.1	Very high	92.7	Very high	49 Å²	49	25.6 Å²	25.6	30%	0.297	14%	0.141	S	C	.	.	H	α-helix	trans	-63.1	-43.1	174.1	172.9	0	0	0	0	111	C459 L460 F466 F467 L498	C459-V463 WeakPolarHBondContact O-CG2 3.41Å; C459-V463 PolarHBondContact O-N 3.3Å; L460-V463 PolarHBondContact O-N 3.24Å; V463-F466 WeakPolarHBondContact O-CB 3.43Å; V463-F466 PolarHBondContact O-N 2.87Å; V463-F467 HydrophobicContact CG1-CD2 3.82Å; V463-F467 HydrophobicContact CG1-CE2 3.68Å; V463-F467 VanDerWaalsContact O-CD2 3.27Å; V463-F467 WeakPolarHBondContact O-CD2 3.28Å; V463-F467 PolarHBondContact O-N 3.45Å; V463-F467 VanDerWaalsContact O-N 3.09Å; V463-L498 HydrophobicContact CG1-CD1 4.47Å
464	Y	95	Very high	92.5	Very high	1 Å²	1	30.5 Å²	30.5	0%	0.004	16%	0.159	C	C	.	.	H	α-helix	trans	-56.6	-52.2	174.4	154	-103.9	0	0	0	111.8	L460 M461 F466 F467 V468 I495 A499 V569 V673	L460-Y464 PolarHBondContact O-N 2.77Å; M461-Y464 WeakPolarHBondContact O-CB 3.45Å; M461-Y464 PolarHBondContact O-N 3.05Å; M461-Y464 HydrophobicContact SD-CD1 3.62Å; M461-Y464 HydrophobicContact SD-CE1 4.08Å; Y464-F466 VanDerWaalsContact C-N 3.29Å; Y464-F466 PolarHBondContact O-N 2.51Å; Y464-F467 PolarHBondContact O-N 2.95Å; Y464-V468 HydrophobicContact CD2-CG2 4.08Å; Y464-V468 HydrophobicContact CE2-CG2 3.65Å; Y464-V468 WeakPolarHBondContact O-CG2 3.4Å; Y464-V468 PolarHBondContact O-N 3.14Å; Y464-I495 HydrophobicContact CD2-CB 4.09Å; Y464-I495 HydrophobicContact CD2-CG1 4.49Å; Y464-I495 WeakPolarHBondContact CD2-O 3.21Å; Y464-I495 HydrophobicContact CE2-CD1 4.49Å; Y464-A499 HydrophobicContact CD1-CB 3.87Å; Y464-A499 HydrophobicContact CD2-CB 3.68Å; Y464-A499 HydrophobicContact CE1-CB 4.07Å; Y464-A499 HydrophobicContact CE2-CB 3.9Å; Y464-A499 HydrophobicContact CG-CB 3.65Å; Y464-V569 WeakPolarHBondContact OH-CG1 3.27Å; Y464-V569 PolarHBondContact OH-O 3.41Å; Y464-V569 VanDerWaalsContact OH-O 3.13Å; Y464-V673 WeakPolarHBondContact OH-CG1 3.21Å
465	L	93.8	Very high	92.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-62.1	-37.2	179.1	-69.8	176.7	0	0	0	112.5	V419 M422 A423 M461 G462 F467 V468 G469 P678	V419-L465 HydrophobicContact CG1-CB 4.41Å; V419-L465 WeakPolarHBondContact CG1-O 3.25Å; M422-L465 HydrophobicContact CB-CD1 3.76Å; A423-L465 HydrophobicContact CB-CB 3.8Å; M461-L465 PolarHBondContact O-N 3.04Å; G462-L465 PolarHBondContact O-N 2.81Å; L465-F467 VanDerWaalsContact C-N 3.35Å; L465-F467 PolarHBondContact O-N 3.05Å; L465-V468 PolarHBondContact O-N 3.03Å; L465-G469 PolarHBondContact O-N 3.28Å; L465-P678 HydrophobicContact CD1-CB 3.64Å; L465-P678 HydrophobicContact CD1-CG 3.7Å; L465-P678 HydrophobicContact CD2-CG 4.07Å; L465-P678 HydrophobicContact CG-CG 4.27Å
466	F	94.8	Very high	91.7	Very high	82 Å²	82	37.5 Å²	37.5	36%	0.36	19%	0.187	S	C	.	.	H	α-helix	trans	-59.2	-46.5	175.7	-178.8	-91.8	0	0	0	111.2	W420 A423 G462 V463 Y464 G469 V470	W420-F466 HydrophobicContact CE3-CD2 4.47Å; W420-F466 HydrophobicContact CH2-CD2 4.45Å; W420-F466 HydrophobicContact CH2-CE2 4.24Å; W420-F466 AromaticContact CZ3-CD2 3.69Å; W420-F466 HydrophobicContact CZ3-CD2 3.69Å; W420-F466 AromaticContact CZ3-CE2 3.61Å; W420-F466 HydrophobicContact CZ3-CE2 3.61Å; W420-F466 HydrophobicContact CZ3-CZ 4.47Å; A423-F466 HydrophobicContact CB-CB 4.33Å; G462-F466 WeakPolarHBondContact O-CB 3.48Å; G462-F466 PolarHBondContact O-N 2.74Å; V463-F466 WeakPolarHBondContact O-CB 3.43Å; V463-F466 PolarHBondContact O-N 2.87Å; Y464-F466 VanDerWaalsContact C-N 3.29Å; Y464-F466 PolarHBondContact O-N 2.51Å; F466-G469 PolarHBondContact O-N 2.94Å; F466-V470 HydrophobicContact CD1-CG2 4.1Å; F466-V470 HydrophobicContact CE1-CG2 3.74Å; F466-V470 HydrophobicContact CZ-CG2 4.13Å; F466-V470 WeakPolarHBondContact O-CG2 3.12Å; F466-V470 PolarHBondContact O-N 3.46Å
467	F	94.1	Very high	90.8	Very high	85 Å²	85	36.6 Å²	36.6	37%	0.373	19%	0.187	S	C	.	.	H	α-helix	trans	-66.2	-40.6	177	-80.8	-69.9	0	0	0	112.6	V463 Y464 L465 G469 V470 F471 I495	V463-F467 HydrophobicContact CG1-CD2 3.82Å; V463-F467 HydrophobicContact CG1-CE2 3.68Å; V463-F467 VanDerWaalsContact O-CD2 3.27Å; V463-F467 WeakPolarHBondContact O-CD2 3.28Å; V463-F467 PolarHBondContact O-N 3.45Å; V463-F467 VanDerWaalsContact O-N 3.09Å; Y464-F467 PolarHBondContact O-N 2.95Å; L465-F467 VanDerWaalsContact C-N 3.35Å; L465-F467 PolarHBondContact O-N 3.05Å; F467-G469 VanDerWaalsContact C-N 3.28Å; F467-G469 PolarHBondContact O-N 3.27Å; F467-V470 PolarHBondContact O-N 3.45Å; F467-V470 VanDerWaalsContact O-N 3.15Å; F467-F471 HydrophobicContact CD1-CE2 4.3Å; F467-F471 VanDerWaalsContact O-CD2 3.27Å; F467-F471 WeakPolarHBondContact O-CD2 3.41Å; F467-F471 PolarHBondContact O-N 3.2Å; F467-I495 HydrophobicContact CB-CG2 3.84Å; F467-I495 HydrophobicContact CD2-CG2 4.43Å; F467-I495 HydrophobicContact CG-CG2 4.22Å
468	V	91.3	Very high	89.9	Confident	1 Å²	1	42 Å²	42	1%	0.006	21%	0.212	C	C	.	.	H	α-helix	trans	-56.3	-44.9	173	173.2	0	0	0	0	110.6	Y464 L465 V470 F471 D472 I495	Y464-V468 HydrophobicContact CD2-CG2 4.08Å; Y464-V468 HydrophobicContact CE2-CG2 3.65Å; Y464-V468 WeakPolarHBondContact O-CG2 3.4Å; Y464-V468 PolarHBondContact O-N 3.14Å; L465-V468 PolarHBondContact O-N 3.03Å; V468-V470 PolarHBondContact O-N 2.94Å; V468-F471 PolarHBondContact O-N 3.11Å; V468-D472 WeakPolarHBondContact O-CB 2.88Å; V468-D472 PolarHBondContact O-N 2.93Å; V468-I495 HydrophobicContact CG2-CD1 3.99Å
469	G	92.1	Very high	89	Confident	1 Å²	1	42 Å²	42	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-63.5	-38.8	175.7	0	0	0	0	0	113.7	L465 F466 F467 V473	L465-G469 PolarHBondContact O-N 3.28Å; F466-G469 PolarHBondContact O-N 2.94Å; F467-G469 VanDerWaalsContact C-N 3.28Å; F467-G469 PolarHBondContact O-N 3.27Å; G469-V473 WeakPolarHBondContact O-CG2 3.32Å; G469-V473 PolarHBondContact O-N 3.48Å; G469-V473 VanDerWaalsContact O-N 3.15Å
470	V	92.6	Very high	87.6	Confident	54 Å²	54	41.5 Å²	41.5	33%	0.327	21%	0.208	S	C	.	.	H	α-helix	trans	-64.8	-44.3	175.9	169.4	0	0	0	0	111.4	W420 F466 F467 V468 V473 K474	W420-V470 HydrophobicContact CH2-CG2 4.02Å; F466-V470 HydrophobicContact CD1-CG2 4.1Å; F466-V470 HydrophobicContact CE1-CG2 3.74Å; F466-V470 HydrophobicContact CZ-CG2 4.13Å; F466-V470 WeakPolarHBondContact O-CG2 3.12Å; F466-V470 PolarHBondContact O-N 3.46Å; F467-V470 PolarHBondContact O-N 3.45Å; F467-V470 VanDerWaalsContact O-N 3.15Å; V468-V470 PolarHBondContact O-N 2.94Å; V470-V473 PolarHBondContact O-N 3.32Å; V470-K474 WeakPolarHBondContact O-CB 3.27Å; V470-K474 PolarHBondContact O-N 3.02Å
471	F	90	Very high	86.3	Confident	22 Å²	22	49.1 Å²	49.1	10%	0.096	23%	0.234	C	C	.	.	H	α-helix	trans	-73.1	-30.7	179.9	-79.5	-76.7	0	0	0	112.8	F467 V468 K474 F475 W486 E491	F467-F471 HydrophobicContact CD1-CE2 4.3Å; F467-F471 VanDerWaalsContact O-CD2 3.27Å; F467-F471 WeakPolarHBondContact O-CD2 3.41Å; F467-F471 PolarHBondContact O-N 3.2Å; V468-F471 PolarHBondContact O-N 3.11Å; F471-K474 HydrophobicContact CD1-CD 3.87Å; F471-K474 HydrophobicContact CE1-CD 3.96Å; F471-K474 PolarHBondContact O-N 3.17Å; F471-F475 HydrophobicContact CB-CD2 4.22Å; F471-F475 HydrophobicContact CB-CE2 4.11Å; F471-F475 HydrophobicContact CD1-CD2 4.27Å; F471-F475 AromaticContact CD1-CE2 3.47Å; F471-F475 HydrophobicContact CD1-CE2 3.47Å; F471-F475 VanDerWaalsContact CD1-CE2 3.47Å; F471-F475 AromaticContact CD1-CZ 3.88Å; F471-F475 HydrophobicContact CD1-CZ 3.88Å; F471-F475 HydrophobicContact CE1-CE2 4.33Å; F471-F475 HydrophobicContact CE1-CZ 4.35Å; F471-F475 HydrophobicContact CG-CE2 4.22Å; F471-F475 WeakPolarHBondContact O-CD2 3.45Å; F471-F475 PolarHBondContact O-N 3.37Å; F471-W486 HydrophobicContact CB-CH2 4.01Å; F471-W486 HydrophobicContact CB-CZ2 4.11Å; F471-W486 HydrophobicContact CB-CZ3 4.33Å; F471-W486 AromaticContact CD1-CE3 3.82Å; F471-W486 HydrophobicContact CD1-CE3 3.82Å; F471-W486 AromaticContact CD1-CH2 3.97Å; F471-W486 HydrophobicContact CD1-CH2 3.97Å; F471-W486 AromaticContact CD1-CZ3 3.47Å; F471-W486 HydrophobicContact CD1-CZ3 3.47Å; F471-W486 VanDerWaalsContact CD1-CZ3 3.47Å; F471-W486 AromaticContact CD2-CH2 3.3Å; F471-W486 HydrophobicContact CD2-CH2 3.3Å; F471-W486 HydrophobicContact CD2-CZ2 4.18Å; F471-W486 AromaticContact CD2-CZ3 3.56Å; F471-W486 HydrophobicContact CD2-CZ3 3.56Å; F471-W486 AromaticContact CE1-CE3 3.94Å; F471-W486 HydrophobicContact CE1-CE3 3.94Å; F471-W486 HydrophobicContact CE1-CH2 4.23Å; F471-W486 AromaticContact CE1-CZ3 3.45Å; F471-W486 HydrophobicContact CE1-CZ3 3.45Å; F471-W486 VanDerWaalsContact CE1-CZ3 3.45Å; F471-W486 AromaticContact CE2-CH2 3.64Å; F471-W486 HydrophobicContact CE2-CH2 3.64Å; F471-W486 AromaticContact CE2-CZ3 3.57Å; F471-W486 HydrophobicContact CE2-CZ3 3.57Å; F471-W486 HydrophobicContact CG-CE3 4.15Å; F471-W486 AromaticContact CG-CH2 3.49Å; F471-W486 HydrophobicContact CG-CH2 3.49Å; F471-W486 VanDerWaalsContact CG-CH2 3.49Å; F471-W486 HydrophobicContact CG-CZ2 4.1Å; F471-W486 AromaticContact CG-CZ3 3.52Å; F471-W486 HydrophobicContact CG-CZ3 3.52Å; F471-W486 HydrophobicContact CZ-CE3 4.42Å; F471-W486 HydrophobicContact CZ-CH2 4.09Å; F471-W486 AromaticContact CZ-CZ3 3.52Å; F471-W486 HydrophobicContact CZ-CZ3 3.52Å; F471-E491 HydrophobicContact CZ-CB 4.15Å; F471-E491 HydrophobicContact CZ-CG 4.26Å
472	D	89.1	Confident	85.4	Confident	3 Å²	3	51.3 Å²	51.3	2%	0.016	25%	0.246	C	C	.	.	H	α-helix	trans	-58.6	-46.7	168	180	69	0	0	0	111.3	L409 L410 V468 K474 R476	L409-D472 HydrophobicContact CB-CB 4.33Å; L409-D472 HydrophobicContact CD2-CB 4.16Å; L410-D472 WeakPolarHBondContact CB-OD1 3.49Å; L410-D472 HydrophobicContact CD1-CB 4.3Å; L410-D472 PolarHBondContact N-OD1 2.79Å; V468-D472 WeakPolarHBondContact O-CB 2.88Å; V468-D472 PolarHBondContact O-N 2.93Å; D472-K474 PolarHBondContact O-N 3.29Å; D472-R476 PolarHBondContact O-N 3.03Å
473	V	90	Very high	84.1	Confident	77 Å²	77	51.3 Å²	51.3	47%	0.467	25%	0.246	S	C	.	.	H	α-helix	trans	-66	-37.9	175.7	174.5	0	0	0	0	111.8	W420 G469 V470 R476	W420-V473 HydrophobicContact CZ2-CG2 4.31Å; G469-V473 WeakPolarHBondContact O-CG2 3.32Å; G469-V473 PolarHBondContact O-N 3.48Å; G469-V473 VanDerWaalsContact O-N 3.15Å; V470-V473 PolarHBondContact O-N 3.32Å; V473-R476 WeakPolarHBondContact O-CB 3.35Å
474	K	87.9	Confident	82.7	Confident	140 Å²	140	52.9 Å²	52.9	61%	0.609	25%	0.252	S	S	*	.	H	α-helix	trans	-66.3	-39.1	-178.8	-175.1	-180	178.1	-177.8	0	112.8	V470 F471 D472	V470-K474 WeakPolarHBondContact O-CB 3.27Å; V470-K474 PolarHBondContact O-N 3.02Å; F471-K474 HydrophobicContact CD1-CD 3.87Å; F471-K474 HydrophobicContact CE1-CD 3.96Å; F471-K474 PolarHBondContact O-N 3.17Å; D472-K474 PolarHBondContact O-N 3.29Å
475	F	82.9	Confident	81.8	Confident	18 Å²	18	58.4 Å²	58.4	8%	0.079	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	9.4	-174.8	-62.3	-51.3	0	0	0	114.2	F471 G477 Q478 Y479 N482 W486	F471-F475 HydrophobicContact CB-CD2 4.22Å; F471-F475 HydrophobicContact CB-CE2 4.11Å; F471-F475 HydrophobicContact CD1-CD2 4.27Å; F471-F475 AromaticContact CD1-CE2 3.47Å; F471-F475 HydrophobicContact CD1-CE2 3.47Å; F471-F475 VanDerWaalsContact CD1-CE2 3.47Å; F471-F475 AromaticContact CD1-CZ 3.88Å; F471-F475 HydrophobicContact CD1-CZ 3.88Å; F471-F475 HydrophobicContact CE1-CE2 4.33Å; F471-F475 HydrophobicContact CE1-CZ 4.35Å; F471-F475 HydrophobicContact CG-CE2 4.22Å; F471-F475 WeakPolarHBondContact O-CD2 3.45Å; F471-F475 PolarHBondContact O-N 3.37Å; F475-G477 PolarHBondContact O-N 2.85Å; F475-Q478 CarbonylContact O-C 3.52Å; F475-Q478 PolarHBondContact O-N 3.05Å; F475-Q478 VanDerWaalsContact O-N 3.12Å; F475-Y479 HydrophobicContact CB-CD2 3.91Å; F475-Y479 HydrophobicContact CD2-CD2 4.32Å; F475-Y479 HydrophobicContact CG-CD2 4.32Å; F475-Y479 PolarHBondContact O-N 3.44Å; F475-N482 HydrophobicContact CD1-CB 3.69Å; F475-N482 HydrophobicContact CE1-CB 3.67Å; F475-N482 HydrophobicContact CZ-CB 4.47Å; F475-W486 HydrophobicContact CD2-CG 4.5Å; F475-W486 HydrophobicContact CE2-CB 3.84Å; F475-W486 AromaticContact CE2-CD2 3.77Å; F475-W486 HydrophobicContact CE2-CD2 3.77Å; F475-W486 AromaticContact CE2-CE3 3.83Å; F475-W486 HydrophobicContact CE2-CE3 3.83Å; F475-W486 AromaticContact CE2-CG 3.78Å; F475-W486 HydrophobicContact CE2-CG 3.78Å; F475-W486 HydrophobicContact CZ-CB 4.09Å; F475-W486 HydrophobicContact CZ-CD2 4.5Å; F475-W486 HydrophobicContact CZ-CE3 4.26Å; F475-W486 HydrophobicContact CZ-CG 4.46Å
476	R	81	Confident	81.4	Confident	130 Å²	130	58.7 Å²	58.7	49%	0.491	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	133	-176.1	-148.9	179.7	-152.7	166	8.2	113	D408 D472 V473 Q478	D408-R476 WeakPolarHBondContact OD1-CA 3.24Å; D408-R476 WeakPolarHBondContact OD1-CG 3.16Å; D472-R476 PolarHBondContact O-N 3.03Å; V473-R476 WeakPolarHBondContact O-CB 3.35Å; R476-Q478 PolarHBondContact O-N 3.46Å
477	G	72.9	Confident	80.7	Confident	40 Å²	40	55.8 Å²	55.8	41%	0.412	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.2	-4.1	-178.4	0	0	0	0	0	115.6	E407 D408 F475	E407-G477 CarbonylContact O-C 3.53Å; E407-G477 WeakPolarHBondContact O-CA 3.28Å; E407-G477 PolarHBondContact O-N 3.22Å; D408-G477 PolarHBondContact OD1-N 3.43Å; F475-G477 PolarHBondContact O-N 2.85Å
478	Q	74.8	Confident	80	Confident	115 Å²	115	57.3 Å²	57.3	54%	0.537	28%	0.278	S	S	.	.			trans	-144.1	20.4	-174.8	-61.7	-174.6	1.3	0	0	113.4	E407 F475 R476 N480 R481	E407-Q478 PolarHBondContact O-N 3.11Å; F475-Q478 CarbonylContact O-C 3.52Å; F475-Q478 PolarHBondContact O-N 3.05Å; F475-Q478 VanDerWaalsContact O-N 3.12Å; R476-Q478 PolarHBondContact O-N 3.46Å; Q478-N480 PolarHBondContact O-N 2.85Å; Q478-R481 PolarHBondContact O-N 3.4Å
479	Y	74.1	Confident	79.8	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-57.4	-44.4	-173.3	179	-114.3	0	0	0	112.7	F384 S404 E407 L409 F475 R481 N482 A483 W486 G568	F384-Y479 HydrophobicContact CZ-CE1 4.29Å; S404-Y479 VanDerWaalsContact CB-CE1 3.42Å; E407-Y479 WeakPolarHBondContact O-CB 3.31Å; E407-Y479 PolarHBondContact O-N 3.26Å; L409-Y479 HydrophobicContact CB-CD2 4.02Å; L409-Y479 HydrophobicContact CB-CE2 4.12Å; L409-Y479 HydrophobicContact CB-CG 4.43Å; L409-Y479 HydrophobicContact CD1-CD2 4.14Å; L409-Y479 HydrophobicContact CD1-CE1 4.23Å; L409-Y479 HydrophobicContact CD1-CE2 3.37Å; L409-Y479 VanDerWaalsContact CD1-CZ 3.4Å; L409-Y479 WeakPolarHBondContact CD1-OH 3.4Å; L409-Y479 HydrophobicContact CG-CE2 4.32Å; F475-Y479 HydrophobicContact CB-CD2 3.91Å; F475-Y479 HydrophobicContact CD2-CD2 4.32Å; F475-Y479 HydrophobicContact CG-CD2 4.32Å; F475-Y479 PolarHBondContact O-N 3.44Å; Y479-R481 PolarHBondContact O-N 3.34Å; Y479-R481 VanDerWaalsContact O-N 3.11Å; Y479-N482 CarbonylContact O-C 3.57Å; Y479-N482 PolarHBondContact O-N 2.93Å; Y479-A483 HydrophobicContact CD1-CB 4.18Å; Y479-A483 HydrophobicContact CE1-CB 3.76Å; Y479-A483 HydrophobicContact CE2-CB 4.1Å; Y479-A483 WeakPolarHBondContact O-CA 3.36Å; Y479-A483 WeakPolarHBondContact O-CB 3.13Å; Y479-A483 PolarHBondContact O-N 3.1Å; Y479-W486 AromaticContact CE2-CD1 4Å; Y479-G568 WeakPolarHBondContact OH-CA 3.45Å
480	N	65.8	Low	79.6	Confident	13 Å²	13	62.9 Å²	62.9	7%	0.07	31%	0.313	C	S	.	.	H	α-helix	trans	-57.9	-32.7	-177	-172.8	38.3	0	0	0	114.2	F406 Q478 N482	F406-N480 HydrophobicContact CD1-CB 4Å; F406-N480 HydrophobicContact CD2-CB 4.03Å; F406-N480 WeakPolarHBondContact CD2-ND2 3.46Å; F406-N480 HydrophobicContact CE1-CB 4.12Å; F406-N480 HydrophobicContact CE2-CB 4.19Å; F406-N480 WeakPolarHBondContact CE2-ND2 3.32Å; F406-N480 HydrophobicContact CG-CB 3.95Å; F406-N480 HydrophobicContact CZ-CB 4.23Å; F406-N480 WeakPolarHBondContact CZ-ND2 3.39Å; F406-N480 WeakPolarHBondContact O-CB 3.46Å; F406-N480 PolarHBondContact O-N 3.21Å; Q478-N480 PolarHBondContact O-N 2.85Å; N480-N482 VanDerWaalsContact C-N 3.27Å; N480-N482 PolarHBondContact O-N 3.44Å
481	R	67	Low	79.5	Confident	200 Å²	200	65 Å²	65	76%	0.755	32%	0.319	S	S	*	.	H	α-helix	trans	-67.6	-31.1	176.3	-71.3	-175.5	175.4	-175	-0.9	112.6	Q478 Y479	Q478-R481 PolarHBondContact O-N 3.4Å; Y479-R481 PolarHBondContact O-N 3.34Å; Y479-R481 VanDerWaalsContact O-N 3.11Å
482	N	74.8	Confident	79.5	Confident	47 Å²	47	64 Å²	64	25%	0.251	31%	0.314	S	S	.	.	H	α-helix	trans	-108.8	-3	-173.3	-62.6	-34.5	0	0	0	112.8	F475 Y479 N480 L484 L485 W486	F475-N482 HydrophobicContact CD1-CB 3.69Å; F475-N482 HydrophobicContact CE1-CB 3.67Å; F475-N482 HydrophobicContact CZ-CB 4.47Å; Y479-N482 CarbonylContact O-C 3.57Å; Y479-N482 PolarHBondContact O-N 2.93Å; N480-N482 VanDerWaalsContact C-N 3.27Å; N480-N482 PolarHBondContact O-N 3.44Å; N482-L484 PolarHBondContact O-N 3.43Å; N482-L485 PolarHBondContact O-N 3.27Å; N482-W486 WeakPolarHBondContact O-CB 3.35Å; N482-W486 PolarHBondContact O-N 3.28Å
483	A	67.5	Low	79.6	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-60.8	-46.2	-173.2	0	0	0	0	0	111.7	Y479 W486 M487	Y479-A483 HydrophobicContact CD1-CB 4.18Å; Y479-A483 HydrophobicContact CE1-CB 3.76Å; Y479-A483 HydrophobicContact CE2-CB 4.1Å; Y479-A483 WeakPolarHBondContact O-CA 3.36Å; Y479-A483 WeakPolarHBondContact O-CB 3.13Å; Y479-A483 PolarHBondContact O-N 3.1Å; A483-W486 PolarHBondContact O-N 3.17Å; A483-M487 WeakPolarHBondContact O-CB 3.4Å; A483-M487 VanDerWaalsContact O-CG 3.28Å; A483-M487 WeakPolarHBondContact O-CG 3.22Å; A483-M487 PolarHBondContact O-N 3.42Å
484	L	65.3	Low	79.7	Confident	82 Å²	82	66.3 Å²	66.3	43%	0.429	32%	0.322	S	S	.	.	H	α-helix	trans	-64.6	-43.8	177	-169.5	126.3	0	0	0	111.5	N482 W486 M487 E488	N482-L484 PolarHBondContact O-N 3.43Å; L484-W486 VanDerWaalsContact C-N 3.32Å; L484-W486 PolarHBondContact O-N 2.9Å; L484-M487 PolarHBondContact O-N 3.03Å; L484-E488 WeakPolarHBondContact O-CB 3.44Å; L484-E488 PolarHBondContact O-N 3.08Å
485	L	76.9	Confident	80	Confident	117 Å²	117	60 Å²	60	61%	0.613	30%	0.295	S	S	*	.	H	α-helix	trans	-61	-41.4	176.2	-68.3	172.3	0	0	0	111.9	N482 S489	N482-L485 PolarHBondContact O-N 3.27Å; L485-S489 VanDerWaalsContact O-CB 3.23Å; L485-S489 WeakPolarHBondContact O-CB 3.47Å; L485-S489 PolarHBondContact O-N 3.36Å; L485-S489 VanDerWaalsContact O-N 3.13Å
486	W	84.9	Confident	80.4	Confident	6 Å²	6	59.1 Å²	59.1	2%	0.023	29%	0.291	C	S	.	.	H	α-helix	trans	-66.9	-50.4	178.1	169.4	-119.3	0	0	0	111.7	F471 F475 Y479 N482 A483 L484 E488 S489 E491 C492 I495 G568	F471-W486 HydrophobicContact CB-CH2 4.01Å; F471-W486 HydrophobicContact CB-CZ2 4.11Å; F471-W486 HydrophobicContact CB-CZ3 4.33Å; F471-W486 AromaticContact CD1-CE3 3.82Å; F471-W486 HydrophobicContact CD1-CE3 3.82Å; F471-W486 AromaticContact CD1-CH2 3.97Å; F471-W486 HydrophobicContact CD1-CH2 3.97Å; F471-W486 AromaticContact CD1-CZ3 3.47Å; F471-W486 HydrophobicContact CD1-CZ3 3.47Å; F471-W486 VanDerWaalsContact CD1-CZ3 3.47Å; F471-W486 AromaticContact CD2-CH2 3.3Å; F471-W486 HydrophobicContact CD2-CH2 3.3Å; F471-W486 HydrophobicContact CD2-CZ2 4.18Å; F471-W486 AromaticContact CD2-CZ3 3.56Å; F471-W486 HydrophobicContact CD2-CZ3 3.56Å; F471-W486 AromaticContact CE1-CE3 3.94Å; F471-W486 HydrophobicContact CE1-CE3 3.94Å; F471-W486 HydrophobicContact CE1-CH2 4.23Å; F471-W486 AromaticContact CE1-CZ3 3.45Å; F471-W486 HydrophobicContact CE1-CZ3 3.45Å; F471-W486 VanDerWaalsContact CE1-CZ3 3.45Å; F471-W486 AromaticContact CE2-CH2 3.64Å; F471-W486 HydrophobicContact CE2-CH2 3.64Å; F471-W486 AromaticContact CE2-CZ3 3.57Å; F471-W486 HydrophobicContact CE2-CZ3 3.57Å; F471-W486 HydrophobicContact CG-CE3 4.15Å; F471-W486 AromaticContact CG-CH2 3.49Å; F471-W486 HydrophobicContact CG-CH2 3.49Å; F471-W486 VanDerWaalsContact CG-CH2 3.49Å; F471-W486 HydrophobicContact CG-CZ2 4.1Å; F471-W486 AromaticContact CG-CZ3 3.52Å; F471-W486 HydrophobicContact CG-CZ3 3.52Å; F471-W486 HydrophobicContact CZ-CE3 4.42Å; F471-W486 HydrophobicContact CZ-CH2 4.09Å; F471-W486 AromaticContact CZ-CZ3 3.52Å; F471-W486 HydrophobicContact CZ-CZ3 3.52Å; F475-W486 HydrophobicContact CD2-CG 4.5Å; F475-W486 HydrophobicContact CE2-CB 3.84Å; F475-W486 AromaticContact CE2-CD2 3.77Å; F475-W486 HydrophobicContact CE2-CD2 3.77Å; F475-W486 AromaticContact CE2-CE3 3.83Å; F475-W486 HydrophobicContact CE2-CE3 3.83Å; F475-W486 AromaticContact CE2-CG 3.78Å; F475-W486 HydrophobicContact CE2-CG 3.78Å; F475-W486 HydrophobicContact CZ-CB 4.09Å; F475-W486 HydrophobicContact CZ-CD2 4.5Å; F475-W486 HydrophobicContact CZ-CE3 4.26Å; F475-W486 HydrophobicContact CZ-CG 4.46Å; Y479-W486 AromaticContact CE2-CD1 4Å; N482-W486 WeakPolarHBondContact O-CB 3.35Å; N482-W486 PolarHBondContact O-N 3.28Å; A483-W486 PolarHBondContact O-N 3.17Å; L484-W486 VanDerWaalsContact C-N 3.32Å; L484-W486 PolarHBondContact O-N 2.9Å; W486-E488 VanDerWaalsContact C-N 3.34Å; W486-E488 PolarHBondContact O-N 3.44Å; W486-S489 WeakPolarHBondContact O-CB 3.35Å; W486-S489 PolarHBondContact O-N 3.42Å; W486-S489 VanDerWaalsContact O-N 3.09Å; W486-S489 PolarHBondContact O-OG 2.96Å; W486-E491 HydrophobicContact CH2-CB 4.48Å; W486-E491 HydrophobicContact CZ3-CB 3.77Å; W486-C492 HydrophobicContact CD2-CB 4.33Å; W486-C492 HydrophobicContact CE3-CB 4.41Å; W486-C492 HydrophobicContact CH2-CB 4.31Å; W486-C492 HydrophobicContact CZ2-CB 4.22Å; W486-C492 HydrophobicContact CZ3-CB 4.4Å; W486-C492 WeakPolarHBondContact O-CB 3.47Å; W486-I495 HydrophobicContact CH2-CD1 3.71Å; W486-I495 HydrophobicContact CZ2-CD1 3.65Å; W486-G568 PolarHBondContact NE1-O 2.87Å
487	M	79.8	Confident	81	Confident	21 Å²	21	54.5 Å²	54.5	10%	0.103	28%	0.275	C	S	.	.	H	α-helix	trans	-67	-34.3	-176.7	-73.4	175	61.3	0	0	112.4	Q385 A483 L484 S489 N562 G565 R566	Q385-M487 PolarHBondContact NE2-SD 3.37Å; A483-M487 WeakPolarHBondContact O-CB 3.4Å; A483-M487 VanDerWaalsContact O-CG 3.28Å; A483-M487 WeakPolarHBondContact O-CG 3.22Å; A483-M487 PolarHBondContact O-N 3.42Å; L484-M487 PolarHBondContact O-N 3.03Å; M487-S489 VanDerWaalsContact C-N 3.32Å; M487-N562 PolarHBondContact O-ND2 3.33Å; M487-G565 WeakPolarHBondContact CB-O 3.5Å; M487-G565 VanDerWaalsContact CE-O 3.25Å; M487-G565 WeakPolarHBondContact CE-O 3.47Å; M487-G565 VanDerWaalsContact O-CA 3.28Å; M487-G565 WeakPolarHBondContact O-CA 3.29Å; M487-R566 WeakPolarHBondContact CE-O 3.43Å
488	E	80.3	Confident	82.1	Confident	116 Å²	116	54.7 Å²	54.7	54%	0.542	27%	0.266	S	S	.	.	H	α-helix	trans	-81.6	-10.7	173.8	-68.9	-171.4	158.3	0	0	113.8	L484 W486	L484-E488 WeakPolarHBondContact O-CB 3.44Å; L484-E488 PolarHBondContact O-N 3.08Å; W486-E488 VanDerWaalsContact C-N 3.34Å; W486-E488 PolarHBondContact O-N 3.44Å
489	S	86.1	Confident	82.9	Confident	18 Å²	18	49.2 Å²	49.2	13%	0.126	24%	0.241	C	C	.	.	S	Bend	trans	-65	152.6	-175	75.5	0	0	0	0	113.6	L485 W486 M487 E491 C492 R493	L485-S489 VanDerWaalsContact O-CB 3.23Å; L485-S489 WeakPolarHBondContact O-CB 3.47Å; L485-S489 PolarHBondContact O-N 3.36Å; L485-S489 VanDerWaalsContact O-N 3.13Å; W486-S489 WeakPolarHBondContact O-CB 3.35Å; W486-S489 PolarHBondContact O-N 3.42Å; W486-S489 VanDerWaalsContact O-N 3.09Å; W486-S489 PolarHBondContact O-OG 2.96Å; M487-S489 VanDerWaalsContact C-N 3.32Å; S489-E491 VanDerWaalsContact CB-OE2 3.26Å; S489-E491 WeakPolarHBondContact CB-OE2 3.3Å; S489-E491 PolarHBondContact O-N 3.26Å; S489-C492 PolarHBondContact O-N 3.1Å; S489-C492 WeakPolarHBondContact OG-CB 3.45Å; S489-C492 PolarHBondContact OG-N 3.33Å; S489-R493 WeakPolarHBondContact O-CG 3.32Å; S489-R493 PolarHBondContact O-N 2.99Å
490	V	88.9	Confident	83.8	Confident	102 Å²	102	49.3 Å²	49.3	62%	0.618	24%	0.241	S	C	*	.	H	α-helix	trans	-66	-33.1	172.3	-179.7	0	0	0	0	109.8	R493 T494	V490-R493 PolarHBondContact O-N 2.82Å; V490-T494 HydrophobicContact CG1-CG2 4.03Å; V490-T494 VanDerWaalsContact O-CG2 3.25Å; V490-T494 WeakPolarHBondContact O-CG2 3.49Å; V490-T494 PolarHBondContact O-N 3.15Å; V490-T494 PolarHBondContact O-OG1 3.02Å
491	E	90.5	Very high	85.2	Confident	99 Å²	99	49.1 Å²	49.1	46%	0.463	24%	0.24	S	C	.	.	H	α-helix	trans	-56.9	-53	176.9	-64.6	89.1	148.9	0	0	110.9	F471 W486 S489 R493 T494 I495	F471-E491 HydrophobicContact CZ-CB 4.15Å; F471-E491 HydrophobicContact CZ-CG 4.26Å; W486-E491 HydrophobicContact CH2-CB 4.48Å; W486-E491 HydrophobicContact CZ3-CB 3.77Å; S489-E491 VanDerWaalsContact CB-OE2 3.26Å; S489-E491 WeakPolarHBondContact CB-OE2 3.3Å; S489-E491 PolarHBondContact O-N 3.26Å; E491-R493 VanDerWaalsContact C-N 3.32Å; E491-R493 PolarHBondContact O-N 3.04Å; E491-T494 PolarHBondContact O-N 3.5Å; E491-T494 PolarHBondContact O-OG1 3.3Å; E491-I495 PolarHBondContact O-N 3.14Å
492	C	89.5	Confident	86.5	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-57.5	-44.3	176.5	178.7	0	0	0	0	112	W486 S489 T494 I495 G496 C570	W486-C492 HydrophobicContact CD2-CB 4.33Å; W486-C492 HydrophobicContact CE3-CB 4.41Å; W486-C492 HydrophobicContact CH2-CB 4.31Å; W486-C492 HydrophobicContact CZ2-CB 4.22Å; W486-C492 HydrophobicContact CZ3-CB 4.4Å; W486-C492 WeakPolarHBondContact O-CB 3.47Å; S489-C492 PolarHBondContact O-N 3.1Å; S489-C492 WeakPolarHBondContact OG-CB 3.45Å; S489-C492 PolarHBondContact OG-N 3.33Å; C492-T494 PolarHBondContact O-N 3.07Å; C492-I495 WeakPolarHBondContact O-CG1 3.16Å; C492-I495 PolarHBondContact O-N 2.9Å; C492-G496 PolarHBondContact O-N 3.14Å; C492-G496 VanDerWaalsContact O-N 3.07Å; C492-C570 WeakPolarHBondContact CA-SG 3.49Å; C492-C570 HydrophobicContact CB-CB 4.17Å; C492-C570 WeakPolarHBondContact CB-SG 3.33Å; C492-C570 VanDerWaalsContact O-CB 3.29Å; C492-C570 WeakPolarHBondContact O-CB 3.31Å; C492-C570 WeakPolarHBondContact SG-CB 3.27Å; C492-C570 CovalentContact SG-SG 2.02Å; C492-C570 PolarHBondContact SG-SG 2.97Å
493	R	91.2	Very high	87.3	Confident	59 Å²	59	37.8 Å²	37.8	22%	0.223	20%	0.195	C	C	.	.	H	α-helix	trans	-63.2	-40.1	177.8	-64.7	174.1	-175.9	-164.8	3.6	112.5	S489 V490 E491 F497 L554 E557 N562	S489-R493 WeakPolarHBondContact O-CG 3.32Å; S489-R493 PolarHBondContact O-N 2.99Å; V490-R493 PolarHBondContact O-N 2.82Å; E491-R493 VanDerWaalsContact C-N 3.32Å; E491-R493 PolarHBondContact O-N 3.04Å; R493-F497 WeakPolarHBondContact O-CB 3.38Å; R493-F497 PolarHBondContact O-N 2.87Å; R493-L554 HydrophobicContact CB-CD2 4.2Å; R493-E557 IonicContact CZ-OE1 3.6Å; R493-E557 IonicContact NH1-OE1 2.68Å; R493-E557 PolarHBondContact NH1-OE1 2.85Å; R493-E557 IonicContact NH2-OE1 3.66Å; R493-N562 PolarHBondContact NE-OD1 3.41Å
494	T	92.1	Very high	88.5	Confident	70 Å²	70	37.8 Å²	37.8	43%	0.429	20%	0.195	S	C	.	.	H	α-helix	trans	-70.8	-39.5	179.6	58.8	0	0	0	0	112.9	V490 E491 C492 G496 F497 L498	V490-T494 HydrophobicContact CG1-CG2 4.03Å; V490-T494 VanDerWaalsContact O-CG2 3.25Å; V490-T494 WeakPolarHBondContact O-CG2 3.49Å; V490-T494 PolarHBondContact O-N 3.15Å; V490-T494 PolarHBondContact O-OG1 3.02Å; E491-T494 PolarHBondContact O-N 3.5Å; E491-T494 PolarHBondContact O-OG1 3.3Å; C492-T494 PolarHBondContact O-N 3.07Å; T494-G496 VanDerWaalsContact C-N 3.34Å; T494-F497 WeakPolarHBondContact O-CB 3.32Å; T494-F497 PolarHBondContact O-N 3.34Å; T494-L498 WeakPolarHBondContact O-CG 3.37Å; T494-L498 PolarHBondContact O-N 3.07Å; T494-L498 VanDerWaalsContact O-N 3.08Å
495	I	92.9	Very high	89.9	Confident	6 Å²	6	33.9 Å²	33.9	3%	0.031	17%	0.174	C	C	.	.	H	α-helix	trans	-68.5	-36.9	177	65.1	164.8	0	0	0	111.1	Y464 F467 V468 W486 E491 C492 L498 A499 C570	Y464-I495 HydrophobicContact CD2-CB 4.09Å; Y464-I495 HydrophobicContact CD2-CG1 4.49Å; Y464-I495 WeakPolarHBondContact CD2-O 3.21Å; Y464-I495 HydrophobicContact CE2-CD1 4.49Å; F467-I495 HydrophobicContact CB-CG2 3.84Å; F467-I495 HydrophobicContact CD2-CG2 4.43Å; F467-I495 HydrophobicContact CG-CG2 4.22Å; V468-I495 HydrophobicContact CG2-CD1 3.99Å; W486-I495 HydrophobicContact CH2-CD1 3.71Å; W486-I495 HydrophobicContact CZ2-CD1 3.65Å; E491-I495 PolarHBondContact O-N 3.14Å; C492-I495 WeakPolarHBondContact O-CG1 3.16Å; C492-I495 PolarHBondContact O-N 2.9Å; I495-L498 PolarHBondContact O-N 2.84Å; I495-A499 PolarHBondContact O-N 3.24Å; I495-C570 HydrophobicContact CD1-CB 3.88Å; I495-C570 HydrophobicContact CG1-CB 3.83Å
496	G	91.9	Very high	90.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65.1	-39.9	174.6	0	0	0	0	0	112.9	C492 T494 L498 A499 M500 Y564 C570	C492-G496 PolarHBondContact O-N 3.14Å; C492-G496 VanDerWaalsContact O-N 3.07Å; T494-G496 VanDerWaalsContact C-N 3.34Å; G496-L498 PolarHBondContact O-N 3.32Å; G496-A499 PolarHBondContact O-N 2.8Å; G496-M500 WeakPolarHBondContact O-CB 3.16Å; G496-M500 PolarHBondContact O-N 3.45Å; G496-Y564 WeakPolarHBondContact O-CE1 3.17Å; G496-C570 WeakPolarHBondContact CA-O 3.22Å
497	F	94.8	Very high	90.9	Very high	34 Å²	34	28.3 Å²	28.3	15%	0.149	15%	0.146	C	C	.	.	H	α-helix	trans	-57.4	-46.9	171.4	170.2	-89.1	0	0	0	111.9	R493 T494 A499 M500 L501 F547 A550 A551 L554	R493-F497 WeakPolarHBondContact O-CB 3.38Å; R493-F497 PolarHBondContact O-N 2.87Å; T494-F497 WeakPolarHBondContact O-CB 3.32Å; T494-F497 PolarHBondContact O-N 3.34Å; F497-A499 PolarHBondContact O-N 3.31Å; F497-M500 PolarHBondContact O-N 2.8Å; F497-L501 HydrophobicContact CE1-CD2 4.02Å; F497-L501 HydrophobicContact CZ-CD2 4.28Å; F497-L501 VanDerWaalsContact O-CB 3.3Å; F497-L501 WeakPolarHBondContact O-CB 3.25Å; F497-L501 PolarHBondContact O-N 2.88Å; F497-F547 HydrophobicContact CE1-CE2 4.42Å; F497-F547 HydrophobicContact CE2-CD2 4.49Å; F497-F547 HydrophobicContact CE2-CE2 4.37Å; F497-F547 AromaticContact CZ-CD2 3.68Å; F497-F547 HydrophobicContact CZ-CD2 3.68Å; F497-F547 AromaticContact CZ-CE2 3.58Å; F497-F547 HydrophobicContact CZ-CE2 3.58Å; F497-F547 HydrophobicContact CZ-CZ 4.32Å; F497-A550 HydrophobicContact CD2-CB 3.53Å; F497-A550 WeakPolarHBondContact CD2-O 3.34Å; F497-A550 HydrophobicContact CE2-CB 3.44Å; F497-A550 VanDerWaalsContact CE2-CB 3.44Å; F497-A550 HydrophobicContact CG-CB 4.32Å; F497-A550 HydrophobicContact CZ-CB 4.16Å; F497-A551 HydrophobicContact CE2-CB 4.23Å; F497-L554 HydrophobicContact CB-CD1 4.28Å; F497-L554 HydrophobicContact CD2-CD1 3.93Å; F497-L554 HydrophobicContact CG-CD1 4.41Å
498	L	93.9	Very high	91.4	Very high	44 Å²	44	29.1 Å²	29.1	23%	0.23	15%	0.151	C	C	.	.	H	α-helix	trans	-62.7	-41.9	178.8	-69.8	174.3	0	0	0	112.1	L460 V463 T494 I495 G496 S502	L460-L498 HydrophobicContact CD2-CD2 4.37Å; V463-L498 HydrophobicContact CG1-CD1 4.47Å; T494-L498 WeakPolarHBondContact O-CG 3.37Å; T494-L498 PolarHBondContact O-N 3.07Å; T494-L498 VanDerWaalsContact O-N 3.08Å; I495-L498 PolarHBondContact O-N 2.84Å; G496-L498 PolarHBondContact O-N 3.32Å; L498-S502 WeakPolarHBondContact O-CB 3.31Å; L498-S502 PolarHBondContact O-N 3.08Å
499	A	93.5	Very high	91.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.9	-46.3	178.1	0	0	0	0	0	111.9	M461 Y464 I495 G496 F497 S502 S503 F571	M461-A499 HydrophobicContact CE-CB 4.42Å; M461-A499 WeakPolarHBondContact CE-O 3.29Å; Y464-A499 HydrophobicContact CD1-CB 3.87Å; Y464-A499 HydrophobicContact CD2-CB 3.68Å; Y464-A499 HydrophobicContact CE1-CB 4.07Å; Y464-A499 HydrophobicContact CE2-CB 3.9Å; Y464-A499 HydrophobicContact CG-CB 3.65Å; I495-A499 PolarHBondContact O-N 3.24Å; G496-A499 PolarHBondContact O-N 2.8Å; F497-A499 PolarHBondContact O-N 3.31Å; A499-S502 PolarHBondContact O-N 2.94Å; A499-S503 PolarHBondContact O-N 3.39Å; A499-S503 PolarHBondContact O-OG 3.3Å; A499-F571 HydrophobicContact CB-CD2 3.65Å; A499-F571 HydrophobicContact CB-CE2 3.83Å
500	M	93.1	Very high	92	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-64	-46.3	177.7	-168.9	80.4	-121.3	0	0	111.6	G496 F497 S502 S503 E504 A550 Y564 P572 I590 F591	G496-M500 WeakPolarHBondContact O-CB 3.16Å; G496-M500 PolarHBondContact O-N 3.45Å; F497-M500 PolarHBondContact O-N 2.8Å; M500-S502 VanDerWaalsContact C-N 3.29Å; M500-S502 PolarHBondContact O-N 3.46Å; M500-S503 PolarHBondContact O-N 2.73Å; M500-S503 PolarHBondContact O-OG 2.9Å; M500-S503 VanDerWaalsContact O-OG 3.11Å; M500-E504 HydrophobicContact CE-CG 3.21Å; M500-E504 WeakPolarHBondContact CE-OE1 3.42Å; M500-E504 WeakPolarHBondContact O-CG 3.2Å; M500-E504 PolarHBondContact O-N 3.36Å; M500-E504 VanDerWaalsContact O-N 3.14Å; M500-A550 HydrophobicContact CB-CB 4.22Å; M500-A550 HydrophobicContact CG-CB 4.28Å; M500-Y564 HydrophobicContact CB-CE1 4.05Å; M500-P572 HydrophobicContact SD-CG 3.87Å; M500-I590 HydrophobicContact CE-CG2 3.64Å; M500-F591 HydrophobicContact CE-CE1 3.69Å; M500-F591 HydrophobicContact CE-CE2 4.04Å; M500-F591 HydrophobicContact CE-CZ 3.41Å; M500-F591 VanDerWaalsContact CE-CZ 3.41Å; M500-F591 HydrophobicContact SD-CE1 4.41Å; M500-F591 HydrophobicContact SD-CE2 4.05Å; M500-F591 HydrophobicContact SD-CZ 3.58Å; M500-F591 VanDerWaalsContact SD-CZ 3.58Å
501	L	95.1	Very high	92	Very high	9 Å²	9	19.1 Å²	19.1	5%	0.047	10%	0.096	C	C	.	.	H	α-helix	trans	-57.8	-46.3	176.6	177.1	62.9	0	0	0	110.8	L460 F497 V505 W543 F547 A550	L460-L501 HydrophobicContact CD1-CD2 4.05Å; L460-L501 HydrophobicContact CD1-CG 4.4Å; F497-L501 HydrophobicContact CE1-CD2 4.02Å; F497-L501 HydrophobicContact CZ-CD2 4.28Å; F497-L501 VanDerWaalsContact O-CB 3.3Å; F497-L501 WeakPolarHBondContact O-CB 3.25Å; F497-L501 PolarHBondContact O-N 2.88Å; L501-V505 HydrophobicContact CD1-CG2 3.74Å; L501-V505 HydrophobicContact CG-CG2 4.44Å; L501-V505 VanDerWaalsContact O-CB 3.25Å; L501-V505 WeakPolarHBondContact O-CB 3.33Å; L501-V505 WeakPolarHBondContact O-CG2 3.39Å; L501-V505 PolarHBondContact O-N 3.29Å; L501-V505 VanDerWaalsContact O-N 3.11Å; L501-W543 HydrophobicContact CD2-CZ3 4.2Å; L501-F547 HydrophobicContact CD1-CB 4.34Å; L501-A550 HydrophobicContact CB-CB 4.04Å
502	S	94.4	Very high	92	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-61.9	-46.8	179.4	-176.8	0	0	0	0	112.4	A457 M461 L498 A499 M500 S506	A457-S502 PolarHBondContact O-OG 3.28Å; M461-S502 WeakPolarHBondContact CB-OG 3.48Å; M461-S502 PolarHBondContact N-OG 3.03Å; M461-S502 VanDerWaalsContact N-OG 3.08Å; L498-S502 WeakPolarHBondContact O-CB 3.31Å; L498-S502 PolarHBondContact O-N 3.08Å; A499-S502 PolarHBondContact O-N 2.94Å; M500-S502 VanDerWaalsContact C-N 3.29Å; M500-S502 PolarHBondContact O-N 3.46Å; S502-S506 VanDerWaalsContact O-CB 3.28Å; S502-S506 WeakPolarHBondContact O-CB 3.3Å; S502-S506 PolarHBondContact O-N 2.95Å; S502-S506 PolarHBondContact O-OG 3Å
503	S	91.6	Very high	91.7	Very high	8 Å²	8	16 Å²	16	6%	0.056	8%	0.082	C	C	.	.	H	α-helix	trans	-66	-47.8	-176.5	64.3	0	0	0	0	111.5	A499 M500 S506 V507	A499-S503 PolarHBondContact O-N 3.39Å; A499-S503 PolarHBondContact O-OG 3.3Å; M500-S503 PolarHBondContact O-N 2.73Å; M500-S503 PolarHBondContact O-OG 2.9Å; M500-S503 VanDerWaalsContact O-OG 3.11Å; S503-S506 PolarHBondContact O-N 3.47Å; S503-V507 WeakPolarHBondContact O-CG2 3.18Å; S503-V507 PolarHBondContact O-N 2.96Å
504	E	92.2	Very high	91.4	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-72.3	-42.8	-174.4	-60.5	-53.2	120.7	0	0	112.6	M500 S506 V507 L508 I549 I590 N595	M500-E504 HydrophobicContact CE-CG 3.21Å; M500-E504 WeakPolarHBondContact CE-OE1 3.42Å; M500-E504 WeakPolarHBondContact O-CG 3.2Å; M500-E504 PolarHBondContact O-N 3.36Å; M500-E504 VanDerWaalsContact O-N 3.14Å; E504-S506 PolarHBondContact O-N 3.1Å; E504-V507 PolarHBondContact O-N 3.17Å; E504-L508 WeakPolarHBondContact O-CG 3.39Å; E504-L508 PolarHBondContact O-N 3.06Å; E504-I549 HydrophobicContact CG-CG2 4.17Å; E504-I590 VanDerWaalsContact CD-CG2 3.41Å; E504-I590 HydrophobicContact CG-CG2 4.09Å; E504-I590 VanDerWaalsContact OE2-CG2 3.22Å; E504-I590 WeakPolarHBondContact OE2-CG2 3.45Å; E504-N595 PolarHBondContact OE1-ND2 3.27Å; E504-N595 PolarHBondContact OE2-OD1 3.27Å
505	V	94.4	Very high	91.1	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-61.3	-39.1	176.7	171.4	0	0	0	0	110.2	A457 L501 L508 L509 I542 W543	A457-V505 HydrophobicContact CB-CB 4.3Å; A457-V505 HydrophobicContact CB-CG1 3.81Å; L501-V505 HydrophobicContact CD1-CG2 3.74Å; L501-V505 HydrophobicContact CG-CG2 4.44Å; L501-V505 VanDerWaalsContact O-CB 3.25Å; L501-V505 WeakPolarHBondContact O-CB 3.33Å; L501-V505 WeakPolarHBondContact O-CG2 3.39Å; L501-V505 PolarHBondContact O-N 3.29Å; L501-V505 VanDerWaalsContact O-N 3.11Å; V505-L508 PolarHBondContact O-N 2.91Å; V505-L509 HydrophobicContact CG1-CD1 3.62Å; V505-L509 HydrophobicContact CG1-CG 4.09Å; V505-L509 VanDerWaalsContact O-CB 3.29Å; V505-L509 WeakPolarHBondContact O-CB 3.29Å; V505-L509 WeakPolarHBondContact O-CG 3.12Å; V505-L509 PolarHBondContact O-N 3.44Å; V505-I542 HydrophobicContact CG1-CG2 4.35Å; V505-W543 HydrophobicContact CG1-CD2 4.23Å; V505-W543 HydrophobicContact CG1-CG 4.44Å; V505-W543 HydrophobicContact CG1-CZ2 4.3Å
506	S	91.4	Very high	90.7	Very high	3 Å²	3	13.4 Å²	13.4	2%	0.021	7%	0.069	C	C	.	.	H	α-helix	trans	-65.3	-44.2	-179.8	-57.7	0	0	0	0	112.1	D458 S502 S503 E504 L509 L510	D458-S506 PolarHBondContact OD1-OG 3Å; S502-S506 VanDerWaalsContact O-CB 3.28Å; S502-S506 WeakPolarHBondContact O-CB 3.3Å; S502-S506 PolarHBondContact O-N 2.95Å; S502-S506 PolarHBondContact O-OG 3Å; S503-S506 PolarHBondContact O-N 3.47Å; E504-S506 PolarHBondContact O-N 3.1Å; S506-L509 PolarHBondContact O-N 3.33Å; S506-L510 WeakPolarHBondContact O-CB 3.31Å; S506-L510 VanDerWaalsContact O-CG 3.31Å; S506-L510 WeakPolarHBondContact O-CG 3.41Å; S506-L510 PolarHBondContact O-N 2.95Å
507	V	90.3	Very high	90	Very high	4 Å²	4	14.8 Å²	14.8	2%	0.024	8%	0.075	C	C	.	.	H	α-helix	trans	-61.1	-48.6	175.8	175.1	0	0	0	0	111.2	S503 E504 L509 L510 T511 A598 W648	S503-V507 WeakPolarHBondContact O-CG2 3.18Å; S503-V507 PolarHBondContact O-N 2.96Å; E504-V507 PolarHBondContact O-N 3.17Å; V507-L509 VanDerWaalsContact C-N 3.34Å; V507-L509 PolarHBondContact O-N 3.47Å; V507-L510 WeakPolarHBondContact O-CB 3.23Å; V507-L510 PolarHBondContact O-N 3.26Å; V507-T511 PolarHBondContact O-N 3.49Å; V507-T511 PolarHBondContact O-OG1 2.72Å; V507-A598 HydrophobicContact CG1-CB 3.64Å; V507-W648 HydrophobicContact CG2-CH2 3.97Å; V507-W648 HydrophobicContact CG2-CZ2 3.14Å
508	L	92.1	Very high	89.5	Confident	38 Å²	38	14.5 Å²	14.5	20%	0.199	7%	0.073	C	C	.	.	H	α-helix	trans	-63.6	-38.8	-179.8	-69.5	174.3	0	0	0	112.4	E504 V505 T511 Y512 I542 M545 L594	E504-L508 WeakPolarHBondContact O-CG 3.39Å; E504-L508 PolarHBondContact O-N 3.06Å; V505-L508 PolarHBondContact O-N 2.91Å; L508-T511 PolarHBondContact O-N 2.96Å; L508-Y512 PolarHBondContact O-N 2.9Å; L508-I542 HydrophobicContact CB-CG2 3.61Å; L508-I542 HydrophobicContact CD1-CG2 4.25Å; L508-M545 HydrophobicContact CD1-CG 4.4Å; L508-L594 HydrophobicContact CD2-CD2 4.14Å
509	L	90.6	Very high	88.9	Confident	2 Å²	2	15 Å²	15	1%	0.01	8%	0.076	C	C	.	.	H	α-helix	trans	-67.2	-40	175.3	-75.4	174.9	0	0	0	112.1	V453 L454 A457 V505 S506 V507 Y512 L513 L539 I542	V453-L509 HydrophobicContact CG1-CD1 3.98Å; V453-L509 HydrophobicContact CG1-CD2 4.32Å; L454-L509 HydrophobicContact CB-CD1 4.21Å; L454-L509 HydrophobicContact CD1-CB 3.99Å; L454-L509 HydrophobicContact CD1-CD1 4.13Å; A457-L509 HydrophobicContact CB-CD1 4.42Å; V505-L509 HydrophobicContact CG1-CD1 3.62Å; V505-L509 HydrophobicContact CG1-CG 4.09Å; V505-L509 VanDerWaalsContact O-CB 3.29Å; V505-L509 WeakPolarHBondContact O-CB 3.29Å; V505-L509 WeakPolarHBondContact O-CG 3.12Å; V505-L509 PolarHBondContact O-N 3.44Å; S506-L509 PolarHBondContact O-N 3.33Å; V507-L509 VanDerWaalsContact C-N 3.34Å; V507-L509 PolarHBondContact O-N 3.47Å; L509-Y512 PolarHBondContact O-N 3.45Å; L509-L513 WeakPolarHBondContact O-CB 3.49Å; L509-L513 WeakPolarHBondContact O-CG 3.45Å; L509-L513 PolarHBondContact O-N 3.07Å; L509-L539 HydrophobicContact CD2-CD2 3.39Å; L509-I542 HydrophobicContact CD2-CB 4.49Å; L509-I542 HydrophobicContact CD2-CD1 4.02Å; L509-I542 HydrophobicContact CD2-CG2 4.08Å; L509-I542 HydrophobicContact CG-CG2 4.01Å
510	L	86.8	Confident	88.1	Confident	8 Å²	8	17.4 Å²	17.4	4%	0.042	9%	0.091	C	C	.	.	H	α-helix	trans	-60.7	-50.2	172.4	-75.3	170.5	0	0	0	110	L454 S506 V507 Y512 L513 T514 I640 D644 Y688	L454-L510 HydrophobicContact CD2-CD2 3.83Å; L454-L510 HydrophobicContact CD2-CG 4.27Å; S506-L510 WeakPolarHBondContact O-CB 3.31Å; S506-L510 VanDerWaalsContact O-CG 3.31Å; S506-L510 WeakPolarHBondContact O-CG 3.41Å; S506-L510 PolarHBondContact O-N 2.95Å; V507-L510 WeakPolarHBondContact O-CB 3.23Å; V507-L510 PolarHBondContact O-N 3.26Å; L510-Y512 VanDerWaalsContact C-N 3.29Å; L510-Y512 PolarHBondContact O-N 3Å; L510-L513 PolarHBondContact O-N 3.28Å; L510-L513 VanDerWaalsContact O-N 3.11Å; L510-T514 VanDerWaalsContact O-CG2 3.25Å; L510-T514 WeakPolarHBondContact O-CG2 3.44Å; L510-T514 PolarHBondContact O-N 3.01Å; L510-I640 HydrophobicContact CD2-CG2 4.22Å; L510-D644 HydrophobicContact CD1-CB 4.45Å; L510-Y688 WeakPolarHBondContact CD2-OH 3.25Å
511	T	89.8	Confident	87.2	Confident	15 Å²	15	18.9 Å²	18.9	9%	0.092	10%	0.098	C	C	.	.	H	α-helix	trans	-54.4	-45.8	175.5	-49.5	0	0	0	0	111.7	V507 L508 L513 T514 L515 A598 V601 I602	V507-T511 PolarHBondContact O-N 3.49Å; V507-T511 PolarHBondContact O-OG1 2.72Å; L508-T511 PolarHBondContact O-N 2.96Å; T511-L513 PolarHBondContact O-N 2.91Å; T511-T514 PolarHBondContact O-N 3.14Å; T511-T514 PolarHBondContact O-OG1 3.08Å; T511-L515 HydrophobicContact CG2-CD1 4.11Å; T511-L515 WeakPolarHBondContact O-CG 3.3Å; T511-L515 PolarHBondContact O-N 3.02Å; T511-A598 WeakPolarHBondContact OG1-CB 3.42Å; T511-V601 HydrophobicContact CG2-CB 4.18Å; T511-V601 HydrophobicContact CG2-CG1 3.77Å; T511-I602 HydrophobicContact CG2-CG1 4.29Å
512	Y	89.9	Confident	86.5	Confident	25 Å²	25	20.1 Å²	20.1	10%	0.098	11%	0.106	C	C	.	.	H	α-helix	trans	-60.2	-47.2	176	174.5	-108.8	0	0	0	113.1	L508 L509 L510 T514 L515 E516 T535 I538 L539 I542	L508-Y512 PolarHBondContact O-N 2.9Å; L509-Y512 PolarHBondContact O-N 3.45Å; L510-Y512 VanDerWaalsContact C-N 3.29Å; L510-Y512 PolarHBondContact O-N 3Å; Y512-T514 VanDerWaalsContact C-N 3.26Å; Y512-T514 PolarHBondContact O-N 3.14Å; Y512-L515 PolarHBondContact O-N 2.71Å; Y512-E516 WeakPolarHBondContact O-CB 3.5Å; Y512-E516 PolarHBondContact O-N 3.35Å; Y512-T535 HydrophobicContact CE1-CG2 4.21Å; Y512-T535 WeakPolarHBondContact OH-CG2 3.4Å; Y512-T535 PolarHBondContact OH-OG1 3.24Å; Y512-T535 VanDerWaalsContact OH-OG1 3.11Å; Y512-I538 HydrophobicContact CD2-CG2 3.68Å; Y512-I538 HydrophobicContact CE2-CB 4.32Å; Y512-I538 HydrophobicContact CE2-CD1 3.88Å; Y512-I538 HydrophobicContact CE2-CG2 3.65Å; Y512-I538 HydrophobicContact CG-CG2 4.23Å; Y512-L539 HydrophobicContact CD1-CD2 4.2Å; Y512-L539 HydrophobicContact CE1-CD2 4.24Å; Y512-I542 HydrophobicContact CG-CD1 4.27Å
513	L	84.4	Confident	85.7	Confident	10 Å²	10	25 Å²	25	5%	0.052	13%	0.128	C	C	.	.	H	α-helix	trans	-58.5	-39.5	177.8	-77	171.2	0	0	0	111.8	C450 L454 L509 L510 T511 K517	C450-L513 HydrophobicContact CB-CD2 3.5Å; C450-L513 HydrophobicContact CB-CG 4.45Å; L454-L513 HydrophobicContact CD2-CD1 3.88Å; L509-L513 WeakPolarHBondContact O-CB 3.49Å; L509-L513 WeakPolarHBondContact O-CG 3.45Å; L509-L513 PolarHBondContact O-N 3.07Å; L510-L513 PolarHBondContact O-N 3.28Å; L510-L513 VanDerWaalsContact O-N 3.11Å; T511-L513 PolarHBondContact O-N 2.91Å; L513-K517 WeakPolarHBondContact O-CG 3.44Å; L513-K517 PolarHBondContact O-N 3.36Å
514	T	84.4	Confident	84.6	Confident	4 Å²	4	27.7 Å²	27.7	3%	0.025	15%	0.145	C	C	.	.	H	α-helix	trans	-68.2	-43.5	177.8	67.4	0	0	0	0	111.7	L510 T511 Y512 K517 F518 I602 Y606 V641	L510-T514 VanDerWaalsContact O-CG2 3.25Å; L510-T514 WeakPolarHBondContact O-CG2 3.44Å; L510-T514 PolarHBondContact O-N 3.01Å; T511-T514 PolarHBondContact O-N 3.14Å; T511-T514 PolarHBondContact O-OG1 3.08Å; Y512-T514 VanDerWaalsContact C-N 3.26Å; Y512-T514 PolarHBondContact O-N 3.14Å; T514-K517 PolarHBondContact O-N 2.74Å; T514-F518 WeakPolarHBondContact O-CB 3.29Å; T514-F518 PolarHBondContact O-N 3.5Å; T514-I602 HydrophobicContact CG2-CG1 4.13Å; T514-I602 HydrophobicContact CG2-CG2 4.23Å; T514-Y606 HydrophobicContact CG2-CE2 3.45Å; T514-Y606 VanDerWaalsContact CG2-CE2 3.45Å; T514-Y606 WeakPolarHBondContact CG2-OH 3.32Å; T514-V641 HydrophobicContact CG2-CG2 3.96Å
515	L	86.3	Confident	83.2	Confident	61 Å²	61	37.3 Å²	37.3	32%	0.319	19%	0.187	S	C	.	.	H	α-helix	trans	-64.6	-42.4	176.6	-76.7	170.5	0	0	0	112.4	T511 Y512 K517 F518 L519 V601	T511-L515 HydrophobicContact CG2-CD1 4.11Å; T511-L515 WeakPolarHBondContact O-CG 3.3Å; T511-L515 PolarHBondContact O-N 3.02Å; Y512-L515 PolarHBondContact O-N 2.71Å; L515-K517 VanDerWaalsContact C-N 3.28Å; L515-K517 PolarHBondContact O-N 3.27Å; L515-F518 PolarHBondContact O-N 2.88Å; L515-L519 WeakPolarHBondContact O-CG 3.49Å; L515-L519 PolarHBondContact O-N 3.42Å; L515-V601 HydrophobicContact CD1-CG1 3.99Å; L515-V601 HydrophobicContact CD2-CG1 3.84Å; L515-V601 HydrophobicContact CG-CG1 4.01Å
516	E	82.9	Confident	81.6	Confident	14 Å²	14	39 Å²	39	7%	0.065	20%	0.199	C	C	.	.	H	α-helix	trans	-55.2	-46.1	175.1	-171.1	-151.2	135.3	0	0	110.5	Y512 V520 P530	Y512-E516 WeakPolarHBondContact O-CB 3.5Å; Y512-E516 PolarHBondContact O-N 3.35Å; E516-V520 VanDerWaalsContact O-CG2 3.32Å; E516-V520 WeakPolarHBondContact O-CG2 3.33Å; E516-V520 PolarHBondContact O-N 3.43Å; E516-P530 HydrophobicContact CG-CG 4.48Å
517	K	78.6	Confident	80.2	Confident	29 Å²	29	47 Å²	47	13%	0.126	24%	0.242	C	C	.	.	H	α-helix	trans	-70.4	-39.3	178.3	-64	-51.6	177.1	-152.8	0	112.9	H447 L513 T514 L515 L519 V520 I521 M609 F637	H447-K517 VanDerWaalsContact CE1-CE 3.46Å; H447-K517 WeakPolarHBondContact CE1-CE 3.4Å; H447-K517 PolarHBondContact ND1-NZ 2.93Å; L513-K517 WeakPolarHBondContact O-CG 3.44Å; L513-K517 PolarHBondContact O-N 3.36Å; T514-K517 PolarHBondContact O-N 2.74Å; L515-K517 VanDerWaalsContact C-N 3.28Å; L515-K517 PolarHBondContact O-N 3.27Å; K517-L519 VanDerWaalsContact C-N 3.34Å; K517-L519 PolarHBondContact O-N 3.16Å; K517-V520 PolarHBondContact O-N 3.08Å; K517-I521 HydrophobicContact CB-CD1 4.41Å; K517-I521 WeakPolarHBondContact O-CB 3.4Å; K517-I521 WeakPolarHBondContact O-CG1 3.2Å; K517-I521 PolarHBondContact O-N 3.15Å; K517-M609 HydrophobicContact CB-CE 3.85Å; K517-F637 HydrophobicContact CD-CE2 4.2Å; K517-F637 HydrophobicContact CD-CZ 4.21Å; K517-F637 HydrophobicContact CG-CD2 4.48Å; K517-F637 HydrophobicContact CG-CE1 4.35Å; K517-F637 HydrophobicContact CG-CE2 3.94Å; K517-F637 HydrophobicContact CG-CZ 3.89Å
518	F	83.1	Confident	79.1	Confident	28 Å²	28	52.3 Å²	52.3	12%	0.123	27%	0.269	C	S	.	.	H	α-helix	trans	-56.2	-49.1	174.3	164.4	-102.4	0	0	0	111.3	T514 L515 V520 I521 V522 F523 S605 S608 M609	T514-F518 WeakPolarHBondContact O-CB 3.29Å; T514-F518 PolarHBondContact O-N 3.5Å; L515-F518 PolarHBondContact O-N 2.88Å; F518-V520 VanDerWaalsContact C-N 3.34Å; F518-V520 PolarHBondContact O-N 3.02Å; F518-I521 PolarHBondContact O-N 2.94Å; F518-V522 HydrophobicContact CD2-CB 4.29Å; F518-V522 HydrophobicContact CD2-CG2 3.59Å; F518-V522 HydrophobicContact CE2-CB 4.03Å; F518-V522 HydrophobicContact CE2-CG1 4.24Å; F518-V522 HydrophobicContact CE2-CG2 3.57Å; F518-V522 WeakPolarHBondContact O-CB 3.49Å; F518-V522 WeakPolarHBondContact O-CG2 3.32Å; F518-V522 PolarHBondContact O-N 2.77Å; F518-F523 HydrophobicContact CE1-CE2 4.12Å; F518-F523 AromaticContact CZ-CE2 3.97Å; F518-F523 HydrophobicContact CZ-CE2 3.97Å; F518-S605 WeakPolarHBondContact CD2-O 3.26Å; F518-S608 VanDerWaalsContact CE2-CB 3.46Å; F518-M609 HydrophobicContact CB-CE 4.41Å
519	L	82.1	Confident	77.9	Confident	54 Å²	54	58.4 Å²	58.4	28%	0.283	29%	0.29	S	S	.	.	H	α-helix	trans	-61.8	-41.3	179.2	-69.1	174.5	0	0	0	112.3	L515 K517 F523	L515-L519 WeakPolarHBondContact O-CG 3.49Å; L515-L519 PolarHBondContact O-N 3.42Å; K517-L519 VanDerWaalsContact C-N 3.34Å; K517-L519 PolarHBondContact O-N 3.16Å; L519-F523 HydrophobicContact CD2-CD2 4.31Å; L519-F523 PolarHBondContact O-N 2.95Å; L519-F523 VanDerWaalsContact O-N 3.14Å
520	V	76.9	Confident	76.9	Confident	52 Å²	52	59.8 Å²	59.8	32%	0.315	30%	0.298	S	S	.	.	H	α-helix	trans	-69.9	-37.2	-179.3	172.7	0	0	0	0	112.6	E516 K517 F518	E516-V520 VanDerWaalsContact O-CG2 3.32Å; E516-V520 WeakPolarHBondContact O-CG2 3.33Å; E516-V520 PolarHBondContact O-N 3.43Å; K517-V520 PolarHBondContact O-N 3.08Å; F518-V520 VanDerWaalsContact C-N 3.34Å; F518-V520 PolarHBondContact O-N 3.02Å
521	I	73.8	Confident	76.5	Confident	32 Å²	32	61 Å²	61	16%	0.164	31%	0.313	C	S	.	.	H	α-helix	trans	-84.8	-41.4	-175	-66.3	166.4	0	0	0	111.6	K517 F518 M609 I613	K517-I521 HydrophobicContact CB-CD1 4.41Å; K517-I521 WeakPolarHBondContact O-CB 3.4Å; K517-I521 WeakPolarHBondContact O-CG1 3.2Å; K517-I521 PolarHBondContact O-N 3.15Å; F518-I521 PolarHBondContact O-N 2.94Å; I521-M609 HydrophobicContact CB-CG 4.18Å; I521-M609 HydrophobicContact CD1-CE 4.06Å; I521-M609 HydrophobicContact CD1-CG 3.76Å; I521-M609 HydrophobicContact CD1-SD 3.48Å; I521-M609 WeakPolarHBondContact CD1-SD 3.11Å; I521-M609 HydrophobicContact CG2-CG 3.85Å; I521-I613 HydrophobicContact CG2-CD1 4.34Å; I521-I613 HydrophobicContact CG2-CG1 4.11Å
522	V	79.8	Confident	76.2	Confident	35 Å²	35	68.1 Å²	68.1	21%	0.212	34%	0.342	C	S	.	.	H	α-helix	trans	-82.3	-33.2	-176.5	-179.3	0	0	0	0	111.9	F518 P524	F518-V522 HydrophobicContact CD2-CB 4.29Å; F518-V522 HydrophobicContact CD2-CG2 3.59Å; F518-V522 HydrophobicContact CE2-CB 4.03Å; F518-V522 HydrophobicContact CE2-CG1 4.24Å; F518-V522 HydrophobicContact CE2-CG2 3.57Å; F518-V522 WeakPolarHBondContact O-CB 3.49Å; F518-V522 WeakPolarHBondContact O-CG2 3.32Å; F518-V522 PolarHBondContact O-N 2.77Å; V522-P524 VanDerWaalsContact C-CD 3.41Å; V522-P524 VanDerWaalsContact O-CD 3.28Å; V522-P524 WeakPolarHBondContact O-CD 3.32Å
523	F	79.3	Confident	75.9	Confident	103 Å²	103	73.9 Å²	73.9	45%	0.452	37%	0.374	S	S	.	.			trans	-122.8	64.7	-176.8	-56.1	-76.7	0	0	0	113.1	F518 L519 F525 S526	F518-F523 HydrophobicContact CE1-CE2 4.12Å; F518-F523 AromaticContact CZ-CE2 3.97Å; F518-F523 HydrophobicContact CZ-CE2 3.97Å; L519-F523 HydrophobicContact CD2-CD2 4.31Å; L519-F523 PolarHBondContact O-N 2.95Å; L519-F523 VanDerWaalsContact O-N 3.14Å; F523-F525 VanDerWaalsContact C-N 3.26Å; F523-F525 PolarHBondContact O-N 2.86Å; F523-F525 VanDerWaalsContact O-N 3.14Å; F523-S526 VanDerWaalsContact CB-OG 3.31Å; F523-S526 WeakPolarHBondContact CB-OG 3.31Å; F523-S526 PolarHBondContact O-N 2.99Å; F523-S526 PolarHBondContact O-OG 3.41Å; F523-S526 VanDerWaalsContact O-OG 3.06Å
524	P	67.7	Low	75.9	Confident	65 Å²	65	79 Å²	79	42%	0.422	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-25.6	-170.9	24	-34.4	0	0	0	115.1	V522	V522-P524 VanDerWaalsContact C-CD 3.41Å; V522-P524 VanDerWaalsContact O-CD 3.28Å; V522-P524 WeakPolarHBondContact O-CD 3.32Å
525	F	62.9	Low	76	Confident	202 Å²	202	79 Å²	79	89%	0.886	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	0.5	-177	-62.6	-71.6	0	0	0	114.5	F523	F523-F525 VanDerWaalsContact C-N 3.26Å; F523-F525 PolarHBondContact O-N 2.86Å; F523-F525 VanDerWaalsContact O-N 3.14Å
526	S	61.4	Low	76.1	Confident	35 Å²	35	77.6 Å²	77.6	25%	0.245	40%	0.398	C	S	.	.	S	Bend	trans	-79.4	137.6	175.5	74.8	0	0	0	0	109.6	F523 L528	F523-S526 VanDerWaalsContact CB-OG 3.31Å; F523-S526 WeakPolarHBondContact CB-OG 3.31Å; F523-S526 PolarHBondContact O-N 2.99Å; F523-S526 PolarHBondContact O-OG 3.41Å; F523-S526 VanDerWaalsContact O-OG 3.06Å; S526-L528 PolarHBondContact O-N 3.3Å
527	N	62.1	Low	76.5	Confident	172 Å²	172	81.3 Å²	81.3	92%	0.92	42%	0.422	S	S	*	.	S	Bend	trans	-67.5	15.2	174.3	-79.3	-21.9	0	0	0	113.3	R529	N527-R529 PolarHBondContact O-N 3.1Å
528	L	65.3	Low	77.1	Confident	115 Å²	115	82.7 Å²	82.7	60%	0.602	43%	0.43	S	S	*	.			trans	-78.9	12.1	-178.9	-80	97.8	0	0	0	113.9	S526 P530	S526-L528 PolarHBondContact O-N 3.3Å; L528-P530 VanDerWaalsContact O-CD 3.28Å; L528-P530 WeakPolarHBondContact O-CD 3.33Å
529	R	68.3	Low	77.5	Confident	166 Å²	166	82.1 Å²	82.1	63%	0.626	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-67.7	119.1	175.6	-73.9	-169.8	-169.2	-175.8	5.7	109.8	N527 G531	N527-R529 PolarHBondContact O-N 3.1Å; R529-G531 PolarHBondContact O-N 3.45Å
530	P	69.4	Low	78	Confident	30 Å²	30	83.4 Å²	83.4	20%	0.195	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-64.2	127.5	179.5	24.6	-31.5	0	0	0	110.1	E516 L528 Q534	E516-P530 HydrophobicContact CG-CG 4.48Å; L528-P530 VanDerWaalsContact O-CD 3.28Å; L528-P530 WeakPolarHBondContact O-CD 3.33Å; P530-Q534 HydrophobicContact CB-CB 4.46Å
531	G	78.9	Confident	78.8	Confident	33 Å²	33	83.9 Å²	83.9	34%	0.34	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-70	164.4	174.4	0	0	0	0	0	111.9	R529 L533 Q534 T535	R529-G531 PolarHBondContact O-N 3.45Å; G531-L533 VanDerWaalsContact C-N 3.25Å; G531-L533 PolarHBondContact O-N 3.04Å; G531-Q534 PolarHBondContact O-N 3.26Å; G531-Q534 VanDerWaalsContact O-N 3.07Å; G531-T535 PolarHBondContact O-N 3.24Å; G531-T535 PolarHBondContact O-OG1 2.8Å
532	K	81.8	Confident	79.8	Confident	166 Å²	166	83.1 Å²	83.1	72%	0.722	44%	0.443	S	S	*	.	H	α-helix	trans	-53.5	-41	178.6	-68.6	-178	-178.9	175.2	0	113.2	L446 G536	L446-K532 HydrophobicContact CD1-CB 4.32Å; L446-K532 HydrophobicContact CD1-CG 4.01Å; K532-G536 PolarHBondContact O-N 3.43Å; K532-G536 VanDerWaalsContact O-N 3.1Å
533	L	84.3	Confident	80.6	Confident	146 Å²	146	85.1 Å²	85.1	76%	0.764	45%	0.447	S	S	*	.	H	α-helix	trans	-67.5	-44.3	178.2	-173.3	68.6	0	0	0	111.4	G531 G536 V537	G531-L533 VanDerWaalsContact C-N 3.25Å; G531-L533 PolarHBondContact O-N 3.04Å; L533-G536 PolarHBondContact O-N 3.02Å; L533-V537 WeakPolarHBondContact O-CG2 3.42Å; L533-V537 PolarHBondContact O-N 3.05Å
534	Q	85.5	Confident	81.4	Confident	117 Å²	117	85.4 Å²	85.4	55%	0.547	45%	0.453	S	S	.	.	H	α-helix	trans	-62.7	-44.5	179.2	-70.9	174	-21.1	0	0	111.6	P530 G531 G536 V537 I538	P530-Q534 HydrophobicContact CB-CB 4.46Å; G531-Q534 PolarHBondContact O-N 3.26Å; G531-Q534 VanDerWaalsContact O-N 3.07Å; Q534-G536 VanDerWaalsContact C-N 3.34Å; Q534-G536 PolarHBondContact O-N 2.88Å; Q534-V537 PolarHBondContact O-N 3.12Å; Q534-I538 VanDerWaalsContact O-CG1 3.28Å; Q534-I538 WeakPolarHBondContact O-CG1 3.11Å; Q534-I538 PolarHBondContact O-N 3.21Å
535	T	85.7	Confident	82.7	Confident	4 Å²	4	87.1 Å²	87.1	3%	0.025	46%	0.456	C	S	.	.	H	α-helix	trans	-61.8	-41.4	174	-62.3	0	0	0	0	111.9	L446 Y512 G531 V537 I538 L539	L446-T535 HydrophobicContact CD1-CG2 3.97Å; L446-T535 HydrophobicContact CD2-CG2 4.19Å; L446-T535 HydrophobicContact CG-CG2 4.01Å; Y512-T535 HydrophobicContact CE1-CG2 4.21Å; Y512-T535 WeakPolarHBondContact OH-CG2 3.4Å; Y512-T535 PolarHBondContact OH-OG1 3.24Å; Y512-T535 VanDerWaalsContact OH-OG1 3.11Å; G531-T535 PolarHBondContact O-N 3.24Å; G531-T535 PolarHBondContact O-OG1 2.8Å; T535-V537 PolarHBondContact O-N 3.21Å; T535-I538 PolarHBondContact O-N 3.14Å; T535-L539 HydrophobicContact CG2-CD1 3.92Å; T535-L539 HydrophobicContact CG2-CG 4.23Å; T535-L539 WeakPolarHBondContact O-CB 3.31Å; T535-L539 VanDerWaalsContact O-CG 3.26Å; T535-L539 WeakPolarHBondContact O-CG 3.05Å; T535-L539 PolarHBondContact O-N 2.96Å
536	G	88.3	Confident	84.2	Confident	32 Å²	32	77.5 Å²	77.5	33%	0.33	41%	0.414	S	S	.	.	H	α-helix	trans	-60.9	-42.1	175.8	0	0	0	0	0	113.3	K532 L533 Q534 S540	K532-G536 PolarHBondContact O-N 3.43Å; K532-G536 VanDerWaalsContact O-N 3.1Å; L533-G536 PolarHBondContact O-N 3.02Å; Q534-G536 VanDerWaalsContact C-N 3.34Å; Q534-G536 PolarHBondContact O-N 2.88Å; G536-S540 WeakPolarHBondContact O-CB 3.05Å; G536-S540 PolarHBondContact O-N 2.99Å; G536-S540 PolarHBondContact O-OG 3Å
537	V	91.1	Very high	85.8	Confident	92 Å²	92	81 Å²	81	56%	0.558	43%	0.425	S	S	*	.	H	α-helix	trans	-64.3	-45.2	174.8	172.9	0	0	0	0	110.9	L533 Q534 T535 S540 S541	L533-V537 WeakPolarHBondContact O-CG2 3.42Å; L533-V537 PolarHBondContact O-N 3.05Å; Q534-V537 PolarHBondContact O-N 3.12Å; T535-V537 PolarHBondContact O-N 3.21Å; V537-S540 PolarHBondContact O-N 2.91Å; V537-S541 WeakPolarHBondContact O-CB 3.36Å; V537-S541 PolarHBondContact O-N 3.31Å
538	I	91.1	Very high	87.4	Confident	57 Å²	57	76.7 Å²	76.7	29%	0.292	40%	0.401	S	S	.	.	H	α-helix	trans	-61.6	-49.3	179.1	-67.4	164.9	0	0	0	110.7	Y512 Q534 T535 S540 S541 I542	Y512-I538 HydrophobicContact CD2-CG2 3.68Å; Y512-I538 HydrophobicContact CE2-CB 4.32Å; Y512-I538 HydrophobicContact CE2-CD1 3.88Å; Y512-I538 HydrophobicContact CE2-CG2 3.65Å; Y512-I538 HydrophobicContact CG-CG2 4.23Å; Q534-I538 VanDerWaalsContact O-CG1 3.28Å; Q534-I538 WeakPolarHBondContact O-CG1 3.11Å; Q534-I538 PolarHBondContact O-N 3.21Å; T535-I538 PolarHBondContact O-N 3.14Å; I538-S540 VanDerWaalsContact C-N 3.3Å; I538-S540 PolarHBondContact O-N 3.3Å; I538-S541 WeakPolarHBondContact CA-OG 3.12Å; I538-S541 PolarHBondContact O-N 3.39Å; I538-S541 VanDerWaalsContact O-N 3.11Å; I538-S541 PolarHBondContact O-OG 3.33Å; I538-I542 HydrophobicContact CG2-CD1 3.94Å; I538-I542 HydrophobicContact CG2-CG1 4.48Å; I538-I542 WeakPolarHBondContact O-CG1 3.43Å; I538-I542 PolarHBondContact O-N 3.2Å
539	L	91.4	Very high	88.8	Confident	17 Å²	17	71.7 Å²	71.7	9%	0.089	38%	0.375	C	S	.	.	H	α-helix	trans	-59.1	-41.2	177.9	-67.8	173.9	0	0	0	111.9	V453 L509 Y512 T535 S541 I542 W543	V453-L539 HydrophobicContact CG2-CD1 4.35Å; L509-L539 HydrophobicContact CD2-CD2 3.39Å; Y512-L539 HydrophobicContact CD1-CD2 4.2Å; Y512-L539 HydrophobicContact CE1-CD2 4.24Å; T535-L539 HydrophobicContact CG2-CD1 3.92Å; T535-L539 HydrophobicContact CG2-CG 4.23Å; T535-L539 WeakPolarHBondContact O-CB 3.31Å; T535-L539 VanDerWaalsContact O-CG 3.26Å; T535-L539 WeakPolarHBondContact O-CG 3.05Å; T535-L539 PolarHBondContact O-N 2.96Å; L539-S541 VanDerWaalsContact C-N 3.35Å; L539-I542 PolarHBondContact O-N 2.92Å; L539-W543 PolarHBondContact O-N 3.06Å
540	S	92.6	Very high	90	Very high	81 Å²	81	63.8 Å²	63.8	57%	0.566	35%	0.345	S	S	*	.	H	α-helix	trans	-66.2	-38	176.6	-54.9	0	0	0	0	111.7	G536 V537 I538 W543 L544	G536-S540 WeakPolarHBondContact O-CB 3.05Å; G536-S540 PolarHBondContact O-N 2.99Å; G536-S540 PolarHBondContact O-OG 3Å; V537-S540 PolarHBondContact O-N 2.91Å; I538-S540 VanDerWaalsContact C-N 3.3Å; I538-S540 PolarHBondContact O-N 3.3Å; S540-W543 PolarHBondContact O-N 2.98Å; S540-L544 WeakPolarHBondContact O-CB 3.48Å; S540-L544 PolarHBondContact O-N 3.39Å
541	S	94.6	Very high	91.1	Very high	61 Å²	61	63.3 Å²	63.3	43%	0.427	34%	0.344	S	S	.	.	H	α-helix	trans	-67.4	-36	176.9	73.4	0	0	0	0	113	V537 I538 L539 L544 M545	V537-S541 WeakPolarHBondContact O-CB 3.36Å; V537-S541 PolarHBondContact O-N 3.31Å; I538-S541 WeakPolarHBondContact CA-OG 3.12Å; I538-S541 PolarHBondContact O-N 3.39Å; I538-S541 VanDerWaalsContact O-N 3.11Å; I538-S541 PolarHBondContact O-OG 3.33Å; L539-S541 VanDerWaalsContact C-N 3.35Å; S541-L544 PolarHBondContact O-N 3.01Å; S541-M545 WeakPolarHBondContact O-CB 3.46Å; S541-M545 PolarHBondContact O-N 3.44Å
542	I	95.1	Very high	91.7	Very high	16 Å²	16	63.9 Å²	63.9	8%	0.082	34%	0.34	C	S	.	.	H	α-helix	trans	-64.1	-44.9	175.1	-68.8	167.7	0	0	0	110.5	V505 L508 L509 Y512 I538 L539 M545 G546	V505-I542 HydrophobicContact CG1-CG2 4.35Å; L508-I542 HydrophobicContact CB-CG2 3.61Å; L508-I542 HydrophobicContact CD1-CG2 4.25Å; L509-I542 HydrophobicContact CD2-CB 4.49Å; L509-I542 HydrophobicContact CD2-CD1 4.02Å; L509-I542 HydrophobicContact CD2-CG2 4.08Å; L509-I542 HydrophobicContact CG-CG2 4.01Å; Y512-I542 HydrophobicContact CG-CD1 4.27Å; I538-I542 HydrophobicContact CG2-CD1 3.94Å; I538-I542 HydrophobicContact CG2-CG1 4.48Å; I538-I542 WeakPolarHBondContact O-CG1 3.43Å; I538-I542 PolarHBondContact O-N 3.2Å; L539-I542 PolarHBondContact O-N 2.92Å; I542-M545 PolarHBondContact O-N 2.97Å; I542-G546 PolarHBondContact O-N 3.16Å
543	W	95.9	Very high	92.1	Very high	78 Å²	78	56.1 Å²	56.1	30%	0.295	31%	0.307	S	S	.	.	H	α-helix	trans	-62.5	-42.7	175.2	-91.5	87.2	0	0	0	112.7	C456 A457 L460 L501 V505 L539 S540 G546 F547	C456-W543 HydrophobicContact CB-CZ2 4.43Å; A457-W543 HydrophobicContact CB-CZ2 4.16Å; L460-W543 HydrophobicContact CD1-CH2 3.83Å; L460-W543 HydrophobicContact CD1-CZ3 4.14Å; L501-W543 HydrophobicContact CD2-CZ3 4.2Å; V505-W543 HydrophobicContact CG1-CD2 4.23Å; V505-W543 HydrophobicContact CG1-CG 4.44Å; V505-W543 HydrophobicContact CG1-CZ2 4.3Å; L539-W543 PolarHBondContact O-N 3.06Å; S540-W543 PolarHBondContact O-N 2.98Å; W543-G546 PolarHBondContact O-N 3.13Å; W543-F547 WeakPolarHBondContact O-CB 3.29Å; W543-F547 PolarHBondContact O-N 3Å
544	L	95.8	Very high	92.2	Very high	109 Å²	109	52.5 Å²	52.5	57%	0.571	29%	0.288	S	S	*	.	H	α-helix	trans	-61.9	-44.6	176.3	-177.9	64.5	0	0	0	111.3	S540 S541 F547 I548	S540-L544 WeakPolarHBondContact O-CB 3.48Å; S540-L544 PolarHBondContact O-N 3.39Å; S541-L544 PolarHBondContact O-N 3.01Å; L544-F547 PolarHBondContact O-N 3.38Å; L544-I548 HydrophobicContact CD1-CD1 4.4Å; L544-I548 HydrophobicContact CG-CD1 4.09Å; L544-I548 VanDerWaalsContact O-CG1 3.29Å; L544-I548 WeakPolarHBondContact O-CG1 3.38Å; L544-I548 PolarHBondContact O-N 3.34Å
545	M	94.9	Very high	92.2	Very high	100 Å²	100	53.8 Å²	53.8	49%	0.493	30%	0.295	S	S	.	.	H	α-helix	trans	-61.3	-47.9	176.9	-175.3	64.6	73.2	0	0	111.4	L508 S541 I542 F547 I548 I549	L508-M545 HydrophobicContact CD1-CG 4.4Å; S541-M545 WeakPolarHBondContact O-CB 3.46Å; S541-M545 PolarHBondContact O-N 3.44Å; I542-M545 PolarHBondContact O-N 2.97Å; M545-F547 VanDerWaalsContact C-N 3.31Å; M545-F547 PolarHBondContact O-N 3.44Å; M545-I548 PolarHBondContact O-N 2.87Å; M545-I549 HydrophobicContact CG-CD1 3.98Å; M545-I549 WeakPolarHBondContact O-CG1 3.41Å; M545-I549 PolarHBondContact O-N 2.95Å; M545-I549 HydrophobicContact SD-CD1 4.5Å
546	G	95.1	Very high	92	Very high	0 Å²	0	58 Å²	58	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-60.4	-39.6	176.9	0	0	0	0	0	112.9	I542 W543 I549 A550	I542-G546 PolarHBondContact O-N 3.16Å; W543-G546 PolarHBondContact O-N 3.13Å; G546-I549 PolarHBondContact O-N 3.41Å; G546-A550 PolarHBondContact O-N 3.23Å
547	F	95.8	Very high	91.3	Very high	109 Å²	109	61.8 Å²	61.8	48%	0.478	33%	0.327	S	S	.	.	H	α-helix	trans	-62.6	-44.3	174.5	-174.9	-86.3	0	0	0	111.8	F497 L501 W543 L544 M545 A550 A551	F497-F547 HydrophobicContact CE1-CE2 4.42Å; F497-F547 HydrophobicContact CE2-CD2 4.49Å; F497-F547 HydrophobicContact CE2-CE2 4.37Å; F497-F547 AromaticContact CZ-CD2 3.68Å; F497-F547 HydrophobicContact CZ-CD2 3.68Å; F497-F547 AromaticContact CZ-CE2 3.58Å; F497-F547 HydrophobicContact CZ-CE2 3.58Å; F497-F547 HydrophobicContact CZ-CZ 4.32Å; L501-F547 HydrophobicContact CD1-CB 4.34Å; W543-F547 WeakPolarHBondContact O-CB 3.29Å; W543-F547 PolarHBondContact O-N 3Å; L544-F547 PolarHBondContact O-N 3.38Å; M545-F547 VanDerWaalsContact C-N 3.31Å; M545-F547 PolarHBondContact O-N 3.44Å; F547-A550 PolarHBondContact O-N 2.97Å; F547-A551 HydrophobicContact CD1-CB 4.36Å; F547-A551 HydrophobicContact CE1-CB 4.15Å; F547-A551 WeakPolarHBondContact O-CB 3.48Å; F547-A551 PolarHBondContact O-N 3.45Å
548	I	95	Very high	90.3	Very high	81 Å²	81	64.4 Å²	64.4	42%	0.415	34%	0.338	S	S	.	.	H	α-helix	trans	-61.3	-46.7	176.6	-68.5	164.9	0	0	0	110.3	L544 M545 A550 A551 V552	L544-I548 HydrophobicContact CD1-CD1 4.4Å; L544-I548 HydrophobicContact CG-CD1 4.09Å; L544-I548 VanDerWaalsContact O-CG1 3.29Å; L544-I548 WeakPolarHBondContact O-CG1 3.38Å; L544-I548 PolarHBondContact O-N 3.34Å; M545-I548 PolarHBondContact O-N 2.87Å; I548-A550 VanDerWaalsContact C-N 3.32Å; I548-A550 PolarHBondContact O-N 3.44Å; I548-A551 PolarHBondContact O-N 2.98Å; I548-V552 HydrophobicContact CG2-CG2 4.07Å; I548-V552 VanDerWaalsContact O-CG2 3.25Å; I548-V552 WeakPolarHBondContact O-CG2 3.2Å; I548-V552 PolarHBondContact O-N 2.82Å
549	I	94	Very high	89.5	Confident	11 Å²	11	64.5 Å²	64.5	6%	0.056	34%	0.341	C	S	.	.	H	α-helix	trans	-58.6	-44.5	178.4	-67.7	166.7	0	0	0	110.8	E504 M545 G546 P553 Y586 I590 L594	E504-I549 HydrophobicContact CG-CG2 4.17Å; M545-I549 HydrophobicContact CG-CD1 3.98Å; M545-I549 WeakPolarHBondContact O-CG1 3.41Å; M545-I549 PolarHBondContact O-N 2.95Å; M545-I549 HydrophobicContact SD-CD1 4.5Å; G546-I549 PolarHBondContact O-N 3.41Å; I549-P553 WeakPolarHBondContact O-CD 3.32Å; I549-Y586 WeakPolarHBondContact CA-OH 3.47Å; I549-Y586 PolarHBondContact O-OH 3.44Å; I549-I590 HydrophobicContact CD1-CD1 4.4Å; I549-I590 HydrophobicContact CG1-CD1 4.3Å; I549-I590 HydrophobicContact CG2-CD1 3.83Å; I549-I590 HydrophobicContact CG2-CG1 4.12Å; I549-I590 HydrophobicContact CG2-CG2 4.16Å; I549-L594 HydrophobicContact CD1-CD1 4.13Å
550	A	93.9	Very high	88.6	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-72.6	-29	178.2	0	0	0	0	0	113.3	F497 M500 L501 G546 F547 I548 Y564	F497-A550 HydrophobicContact CD2-CB 3.53Å; F497-A550 WeakPolarHBondContact CD2-O 3.34Å; F497-A550 HydrophobicContact CE2-CB 3.44Å; F497-A550 VanDerWaalsContact CE2-CB 3.44Å; F497-A550 HydrophobicContact CG-CB 4.32Å; F497-A550 HydrophobicContact CZ-CB 4.16Å; M500-A550 HydrophobicContact CB-CB 4.22Å; M500-A550 HydrophobicContact CG-CB 4.28Å; L501-A550 HydrophobicContact CB-CB 4.04Å; G546-A550 PolarHBondContact O-N 3.23Å; F547-A550 PolarHBondContact O-N 2.97Å; I548-A550 VanDerWaalsContact C-N 3.32Å; I548-A550 PolarHBondContact O-N 3.44Å; A550-Y564 PolarHBondContact O-OH 2.69Å
551	A	92.9	Very high	87.8	Confident	20 Å²	20	62 Å²	62	17%	0.165	33%	0.326	C	S	.	.	H	α-helix	trans	-84.2	-32.2	-176	0	0	0	0	0	113.9	F497 F547 I548 L554 M555	F497-A551 HydrophobicContact CE2-CB 4.23Å; F547-A551 HydrophobicContact CD1-CB 4.36Å; F547-A551 HydrophobicContact CE1-CB 4.15Å; F547-A551 WeakPolarHBondContact O-CB 3.48Å; F547-A551 PolarHBondContact O-N 3.45Å; I548-A551 PolarHBondContact O-N 2.98Å; A551-L554 WeakPolarHBondContact O-CB 3.07Å; A551-L554 PolarHBondContact O-N 3.13Å; A551-M555 PolarHBondContact O-N 3.47Å
552	V	91.6	Very high	86.9	Confident	44 Å²	44	60.9 Å²	60.9	27%	0.267	32%	0.315	S	S	.	.	H	α-helix	trans	-51.4	-45.5	-176.2	161.2	0	0	0	0	113.4	I548 L554 M555 F560 Y586	I548-V552 HydrophobicContact CG2-CG2 4.07Å; I548-V552 VanDerWaalsContact O-CG2 3.25Å; I548-V552 WeakPolarHBondContact O-CG2 3.2Å; I548-V552 PolarHBondContact O-N 2.82Å; V552-L554 PolarHBondContact O-N 3.34Å; V552-M555 PolarHBondContact O-N 2.88Å; V552-F560 HydrophobicContact CG1-CE2 4.18Å; V552-F560 HydrophobicContact CG1-CZ 4.1Å; V552-Y586 HydrophobicContact CG1-CE2 3.94Å
553	P	88.7	Confident	86.3	Confident	3 Å²	3	60.5 Å²	60.5	2%	0.019	31%	0.313	C	S	.	.	H	α-helix	trans	-65.7	-18.3	178.7	-22.2	34.2	0	0	0	114.8	I549 Y563 Y564 Y586	I549-P553 WeakPolarHBondContact O-CD 3.32Å; P553-Y563 HydrophobicContact CB-CD1 3.37Å; P553-Y563 HydrophobicContact CB-CD2 4.41Å; P553-Y563 HydrophobicContact CB-CE1 3.92Å; P553-Y563 HydrophobicContact CB-CG 3.65Å; P553-Y563 HydrophobicContact CG-CD1 3.76Å; P553-Y563 HydrophobicContact CG-CE1 3.75Å; P553-Y563 HydrophobicContact CG-CG 4.37Å; P553-Y564 HydrophobicContact CB-CE2 4.03Å; P553-Y564 HydrophobicContact CG-CE2 4.38Å; P553-Y586 HydrophobicContact CG-CD1 4.2Å; P553-Y586 HydrophobicContact CG-CE1 3.69Å
554	L	87.1	Confident	85.8	Confident	71 Å²	71	56.9 Å²	56.9	37%	0.372	30%	0.299	S	S	.	.	H	α-helix	trans	-89.1	-16.4	178.6	-63.4	174.4	0	0	0	113.2	R493 F497 A551 V552 Y564	R493-L554 HydrophobicContact CB-CD2 4.2Å; F497-L554 HydrophobicContact CB-CD1 4.28Å; F497-L554 HydrophobicContact CD2-CD1 3.93Å; F497-L554 HydrophobicContact CG-CD1 4.41Å; A551-L554 WeakPolarHBondContact O-CB 3.07Å; A551-L554 PolarHBondContact O-N 3.13Å; V552-L554 PolarHBondContact O-N 3.34Å; L554-Y564 HydrophobicContact CD1-CE2 4.49Å; L554-Y564 HydrophobicContact CD2-CD2 3.74Å; L554-Y564 HydrophobicContact CD2-CE2 4.02Å; L554-Y564 HydrophobicContact CG-CD2 4.22Å; L554-Y564 HydrophobicContact CG-CE2 3.97Å
555	M	86.5	Confident	84.9	Confident	143 Å²	143	51.9 Å²	51.9	70%	0.704	27%	0.274	S	S	*	.	H	α-helix	trans	-77.2	-31.9	-174	-67.2	-175.2	73.5	0	0	113.6	A551 V552	A551-M555 PolarHBondContact O-N 3.47Å; V552-M555 PolarHBondContact O-N 2.88Å
556	N	79.9	Confident	83.9	Confident	92 Å²	92	51 Å²	51	49%	0.492	27%	0.265	S	S	.	.			trans	-131.5	92.5	-174.7	-75.8	-43.6	0	0	0	111.5	D558 V559 F560	N556-D558 VanDerWaalsContact C-N 3.27Å; N556-D558 PolarHBondContact O-N 3.31Å; N556-V559 HydrophobicContact CB-CB 4.12Å; N556-V559 HydrophobicContact CB-CG2 4.09Å; N556-V559 PolarHBondContact O-N 3.01Å; N556-F560 HydrophobicContact CB-CD2 4.41Å; N556-F560 PolarHBondContact O-N 3.09Å; N556-F560 VanDerWaalsContact O-N 3.09Å
557	E	73.9	Confident	83	Confident	112 Å²	112	51.5 Å²	51.5	52%	0.523	27%	0.268	S	S	.	.	H	α-helix	trans	-62.3	-32.5	176.9	-66.8	-168.4	161	0	0	112.4	R493 V559 G561	R493-E557 IonicContact CZ-OE1 3.6Å; R493-E557 IonicContact NH1-OE1 2.68Å; R493-E557 PolarHBondContact NH1-OE1 2.85Å; R493-E557 IonicContact NH2-OE1 3.66Å; E557-V559 VanDerWaalsContact C-N 3.3Å; E557-V559 PolarHBondContact O-N 2.95Å; E557-G561 WeakPolarHBondContact O-CA 3.34Å; E557-G561 PolarHBondContact O-N 3.33Å
558	D	70.6	Confident	82	Confident	147 Å²	147	46.4 Å²	46.4	79%	0.786	25%	0.245	S	C	*	.	H	α-helix	trans	-65.6	-33.7	179	-66.8	-40.4	0	0	0	112.8	N556 K580	N556-D558 VanDerWaalsContact C-N 3.27Å; N556-D558 PolarHBondContact O-N 3.31Å; D558-K580 PolarHBondContact O-NZ 2.95Å
559	V	75.2	Confident	81.5	Confident	60 Å²	60	42.5 Å²	42.5	36%	0.364	23%	0.226	S	C	.	.	H	α-helix	trans	-88.1	-43.5	-176	-179.2	0	0	0	0	111.4	N556 E557 T582	N556-V559 HydrophobicContact CB-CB 4.12Å; N556-V559 HydrophobicContact CB-CG2 4.09Å; N556-V559 PolarHBondContact O-N 3.01Å; E557-V559 VanDerWaalsContact C-N 3.3Å; E557-V559 PolarHBondContact O-N 2.95Å; V559-T582 HydrophobicContact CG1-CG2 4.29Å; V559-T582 PolarHBondContact O-OG1 3.31Å; V559-T582 VanDerWaalsContact O-OG1 3.11Å
560	F	72.6	Confident	81.2	Confident	22 Å²	22	42 Å²	42	10%	0.096	22%	0.223	C	C	.	.	H	α-helix	trans	-101.9	-23.1	-173.3	-67.3	-78.2	0	0	0	113.7	V552 N556 R566 Y586	V552-F560 HydrophobicContact CG1-CE2 4.18Å; V552-F560 HydrophobicContact CG1-CZ 4.1Å; N556-F560 HydrophobicContact CB-CD2 4.41Å; N556-F560 PolarHBondContact O-N 3.09Å; N556-F560 VanDerWaalsContact O-N 3.09Å; F560-R566 PolarHBondContact O-NH2 3.45Å; F560-Y586 HydrophobicContact CE1-CD2 4.43Å; F560-Y586 HydrophobicContact CE1-CG 4.1Å
561	G	74.3	Confident	80.9	Confident	24 Å²	24	42 Å²	42	25%	0.247	22%	0.223	C	C	.	.			trans	66.3	-156.5	-170.7	0	0	0	0	0	111.9	E557 Y563	E557-G561 WeakPolarHBondContact O-CA 3.34Å; E557-G561 PolarHBondContact O-N 3.33Å; G561-Y563 PolarHBondContact O-N 2.61Å
562	N	76.1	Confident	80.3	Confident	37 Å²	37	41.3 Å²	41.3	20%	0.198	22%	0.217	C	C	.	.	S	Bend	trans	-75.5	70.6	172.8	-169.9	11.5	0	0	0	111.2	M487 R493 Y564 G565 R566	M487-N562 PolarHBondContact O-ND2 3.33Å; R493-N562 PolarHBondContact NE-OD1 3.41Å; N562-Y564 PolarHBondContact O-N 3.02Å; N562-G565 PolarHBondContact ND2-O 2.94Å; N562-G565 PolarHBondContact O-N 3.26Å; N562-G565 WeakPolarHBondContact OD1-CA 3.35Å; N562-G565 PolarHBondContact OD1-N 2.9Å; N562-G565 VanDerWaalsContact OD1-N 3.17Å; N562-R566 WeakPolarHBondContact O-CG 3.3Å; N562-R566 PolarHBondContact O-N 2.88Å
563	Y	82.4	Confident	79.3	Confident	8 Å²	8	39.3 Å²	39.3	3%	0.031	20%	0.204	C	C	.	.	S	Bend	trans	-57.9	-46.7	-170.6	-176.9	-103	0	0	0	113.7	P553 G561 P572 S583 S587	P553-Y563 HydrophobicContact CB-CD1 3.37Å; P553-Y563 HydrophobicContact CB-CD2 4.41Å; P553-Y563 HydrophobicContact CB-CE1 3.92Å; P553-Y563 HydrophobicContact CB-CG 3.65Å; P553-Y563 HydrophobicContact CG-CD1 3.76Å; P553-Y563 HydrophobicContact CG-CE1 3.75Å; P553-Y563 HydrophobicContact CG-CG 4.37Å; G561-Y563 PolarHBondContact O-N 2.61Å; Y563-P572 HydrophobicContact CD1-CB 3.88Å; Y563-P572 HydrophobicContact CD1-CG 4.41Å; Y563-P572 HydrophobicContact CE1-CB 3.23Å; Y563-P572 HydrophobicContact CE1-CG 3.61Å; Y563-P572 HydrophobicContact CE2-CB 4.26Å; Y563-P572 VanDerWaalsContact CZ-CB 3.45Å; Y563-S583 WeakPolarHBondContact CD2-OG 3.29Å; Y563-S583 WeakPolarHBondContact CE2-OG 3.43Å; Y563-S587 WeakPolarHBondContact OH-CB 3.3Å
564	Y	85.3	Confident	78.3	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.008	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-79.4	-35.6	178.9	-68.8	-72.3	0	0	0	112.3	G496 M500 A550 P553 L554 N562 R566 C570 P572	G496-Y564 WeakPolarHBondContact O-CE1 3.17Å; M500-Y564 HydrophobicContact CB-CE1 4.05Å; A550-Y564 PolarHBondContact O-OH 2.69Å; P553-Y564 HydrophobicContact CB-CE2 4.03Å; P553-Y564 HydrophobicContact CG-CE2 4.38Å; L554-Y564 HydrophobicContact CD1-CE2 4.49Å; L554-Y564 HydrophobicContact CD2-CD2 3.74Å; L554-Y564 HydrophobicContact CD2-CE2 4.02Å; L554-Y564 HydrophobicContact CG-CD2 4.22Å; L554-Y564 HydrophobicContact CG-CE2 3.97Å; N562-Y564 PolarHBondContact O-N 3.02Å; Y564-R566 VanDerWaalsContact C-N 3.29Å; Y564-R566 PolarHBondContact O-N 3.43Å; Y564-C570 CarbonylContact O-C 3.45Å; Y564-C570 VanDerWaalsContact O-C 3.31Å; Y564-C570 WeakPolarHBondContact O-CA 3.39Å; Y564-P572 HydrophobicContact CD1-CG 4.23Å; Y564-P572 HydrophobicContact CE1-CG 3.93Å
565	G	77.6	Confident	76.7	Confident	3 Å²	3	37.9 Å²	37.9	3%	0.031	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-87.9	29.1	-176.3	0	0	0	0	0	115.6	M487 N562	M487-G565 WeakPolarHBondContact CB-O 3.5Å; M487-G565 VanDerWaalsContact CE-O 3.25Å; M487-G565 WeakPolarHBondContact CE-O 3.47Å; M487-G565 VanDerWaalsContact O-CA 3.28Å; M487-G565 WeakPolarHBondContact O-CA 3.29Å; N562-G565 PolarHBondContact ND2-O 2.94Å; N562-G565 PolarHBondContact O-N 3.26Å; N562-G565 WeakPolarHBondContact OD1-CA 3.35Å; N562-G565 PolarHBondContact OD1-N 2.9Å; N562-G565 VanDerWaalsContact OD1-N 3.17Å
566	R	72.9	Confident	75	Confident	83 Å²	83	34.9 Å²	34.9	31%	0.313	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-80.6	-18.4	175	-72.6	-154.1	172.5	124.4	12	113.9	M487 F560 N562 Y564 E579 S583	M487-R566 WeakPolarHBondContact CE-O 3.43Å; F560-R566 PolarHBondContact O-NH2 3.45Å; N562-R566 WeakPolarHBondContact O-CG 3.3Å; N562-R566 PolarHBondContact O-N 2.88Å; Y564-R566 VanDerWaalsContact C-N 3.29Å; Y564-R566 PolarHBondContact O-N 3.43Å; R566-E579 VanDerWaalsContact NH1-CD 3.31Å; R566-E579 IonicContact NH1-OE1 3.08Å; R566-E579 PolarHBondContact NH1-OE1 3.23Å; R566-E579 IonicContact NH1-OE2 3.97Å; R566-S583 PolarHBondContact NH1-OG 3.02Å
567	N	75.8	Confident	73.5	Confident	10 Å²	10	38.7 Å²	38.7	5%	0.053	19%	0.192	C	C	.	.	S	Bend	trans	-130.3	166.6	174.1	61.7	-11.4	0	0	0	112.4	V569 C570 F571 H574	N567-V569 PolarHBondContact O-N 3.38Å; N567-C570 PolarHBondContact O-N 3Å; N567-C570 WeakPolarHBondContact OD1-CA 3.46Å; N567-C570 PolarHBondContact OD1-N 3.01Å; N567-F571 PolarHBondContact ND2-O 3.08Å; N567-F571 PolarHBondContact OD1-N 3.29Å; N567-H574 VanDerWaalsContact CB-CE1 3.49Å; N567-H574 WeakPolarHBondContact CB-CE1 3.1Å; N567-H574 WeakPolarHBondContact CB-NE2 3.39Å; N567-H574 PolarHBondContact ND2-CE1 3.45Å; N567-H574 PolarHBondContact ND2-NE2 2.62Å; N567-H574 PolarHBondContact OD1-CE1 3.3Å
568	G	75.3	Confident	72.2	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.01	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-27.1	174.1	0	0	0	0	0	114.1	L409 Y479 W486	L409-G568 WeakPolarHBondContact CD1-O 3.43Å; Y479-G568 WeakPolarHBondContact OH-CA 3.45Å; W486-G568 PolarHBondContact NE1-O 2.87Å
569	V	84.1	Confident	71.6	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-7.6	-176.8	-176.8	0	0	0	0	112.6	I403 L410 Y464 N567 F571 V673 I674	I403-V569 HydrophobicContact CG2-CG2 3.9Å; L410-V569 HydrophobicContact CD2-CG2 4.34Å; Y464-V569 WeakPolarHBondContact OH-CG1 3.27Å; Y464-V569 PolarHBondContact OH-O 3.41Å; Y464-V569 VanDerWaalsContact OH-O 3.13Å; N567-V569 PolarHBondContact O-N 3.38Å; V569-F571 PolarHBondContact O-N 2.96Å; V569-V673 HydrophobicContact CG1-CG1 3.74Å; V569-I674 HydrophobicContact CG1-CD1 4.43Å; V569-I674 HydrophobicContact CG1-CG1 4.13Å; V569-I674 HydrophobicContact CG2-CD1 4.07Å
570	C	87.8	Confident	71	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.164	C	C	.	.			trans	61.6	35.6	175.7	-50.6	0	0	0	0	115.4	C492 I495 G496 Y564 N567	C492-C570 WeakPolarHBondContact CA-SG 3.49Å; C492-C570 HydrophobicContact CB-CB 4.17Å; C492-C570 WeakPolarHBondContact CB-SG 3.33Å; C492-C570 VanDerWaalsContact O-CB 3.29Å; C492-C570 WeakPolarHBondContact O-CB 3.31Å; C492-C570 WeakPolarHBondContact SG-CB 3.27Å; C492-C570 CovalentContact SG-SG 2.02Å; C492-C570 PolarHBondContact SG-SG 2.97Å; I495-C570 HydrophobicContact CD1-CB 3.88Å; I495-C570 HydrophobicContact CG1-CB 3.83Å; G496-C570 WeakPolarHBondContact CA-O 3.22Å; Y564-C570 CarbonylContact O-C 3.45Å; Y564-C570 VanDerWaalsContact O-C 3.31Å; Y564-C570 WeakPolarHBondContact O-CA 3.39Å; N567-C570 PolarHBondContact O-N 3Å; N567-C570 WeakPolarHBondContact OD1-CA 3.46Å; N567-C570 PolarHBondContact OD1-N 3.01Å
571	F	87.4	Confident	70.8	Confident	1 Å²	1	39 Å²	39	0%	0.004	19%	0.194	C	C	.	.			trans	-129.4	133.7	-175.8	-167.7	-89.4	0	0	0	112.8	A499 N567 V569 L573 H574 F591 V673 L677	A499-F571 HydrophobicContact CB-CD2 3.65Å; A499-F571 HydrophobicContact CB-CE2 3.83Å; N567-F571 PolarHBondContact ND2-O 3.08Å; N567-F571 PolarHBondContact OD1-N 3.29Å; V569-F571 PolarHBondContact O-N 2.96Å; F571-L573 VanDerWaalsContact C-N 3.32Å; F571-L573 HydrophobicContact CD1-CB 3.81Å; F571-L573 HydrophobicContact CE1-CB 3.98Å; F571-L573 HydrophobicContact CE1-CD1 4.47Å; F571-L573 PolarHBondContact O-N 2.95Å; F571-H574 PolarHBondContact O-CE1 2.96Å; F571-F591 HydrophobicContact CE1-CE1 4.09Å; F571-F591 HydrophobicContact CE1-CE2 4.44Å; F571-F591 AromaticContact CE1-CZ 3.63Å; F571-F591 HydrophobicContact CE1-CZ 3.63Å; F571-F591 AromaticContact CZ-CE1 3.86Å; F571-F591 HydrophobicContact CZ-CE1 3.86Å; F571-F591 AromaticContact CZ-CZ 3.56Å; F571-F591 HydrophobicContact CZ-CZ 3.56Å; F571-V673 HydrophobicContact CB-CG1 3.66Å; F571-V673 HydrophobicContact CB-CG2 4.22Å; F571-V673 HydrophobicContact CD1-CB 4.39Å; F571-V673 HydrophobicContact CD1-CG1 4.03Å; F571-V673 HydrophobicContact CD1-CG2 3.41Å; F571-V673 VanDerWaalsContact CD1-CG2 3.41Å; F571-V673 HydrophobicContact CD2-CG1 4.34Å; F571-V673 HydrophobicContact CE1-CG2 4.04Å; F571-V673 HydrophobicContact CG-CG1 3.74Å; F571-V673 HydrophobicContact CG-CG2 4Å; F571-L677 HydrophobicContact CE1-CD1 4.08Å; F571-L677 HydrophobicContact CE2-CD1 4.43Å; F571-L677 HydrophobicContact CZ-CD1 3.64Å
572	P	81.1	Confident	70.8	Confident	5 Å²	5	41.1 Å²	41.1	3%	0.032	20%	0.202	C	C	.	.	S	Bend	trans	-86.1	47.9	-165.9	35.7	-37.8	0	0	0	115.3	M500 Y563 Y564 S587 F591	M500-P572 HydrophobicContact SD-CG 3.87Å; Y563-P572 HydrophobicContact CD1-CB 3.88Å; Y563-P572 HydrophobicContact CD1-CG 4.41Å; Y563-P572 HydrophobicContact CE1-CB 3.23Å; Y563-P572 HydrophobicContact CE1-CG 3.61Å; Y563-P572 HydrophobicContact CE2-CB 4.26Å; Y563-P572 VanDerWaalsContact CZ-CB 3.45Å; Y564-P572 HydrophobicContact CD1-CG 4.23Å; Y564-P572 HydrophobicContact CE1-CG 3.93Å; P572-S587 PolarHBondContact O-OG 3.48Å; P572-F591 HydrophobicContact CG-CE2 4.13Å; P572-F591 HydrophobicContact CG-CZ 4.35Å
573	L	71.6	Confident	70.8	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	19%	0.193	C	C	.	.			trans	-96.4	4.3	179.3	-158.1	69.9	0	0	0	114.4	F571 F591 I651 K655 V672 V673	F571-L573 VanDerWaalsContact C-N 3.32Å; F571-L573 HydrophobicContact CD1-CB 3.81Å; F571-L573 HydrophobicContact CE1-CB 3.98Å; F571-L573 HydrophobicContact CE1-CD1 4.47Å; F571-L573 PolarHBondContact O-N 2.95Å; L573-F591 HydrophobicContact CD1-CD1 4.47Å; L573-F591 HydrophobicContact CD1-CD2 4.29Å; L573-F591 HydrophobicContact CD1-CE2 4.47Å; L573-F591 HydrophobicContact CD1-CG 4.29Å; L573-I651 HydrophobicContact CD1-CG2 4.1Å; L573-K655 PolarHBondContact O-NZ 2.93Å; L573-K655 VanDerWaalsContact O-NZ 3.15Å; L573-V672 HydrophobicContact CD2-CB 4Å; L573-V672 HydrophobicContact CD2-CG1 3.59Å; L573-V673 HydrophobicContact CB-CG2 3.99Å; L573-V673 HydrophobicContact CD2-CG2 3.85Å
574	H	66.1	Low	70.5	Confident	22 Å²	22	41.7 Å²	41.7	10%	0.102	20%	0.203	C	C	.	.			trans	-59.5	158	-170.7	-56.1	96.7	0	0	0	116	N567 F571 K655	N567-H574 VanDerWaalsContact CB-CE1 3.49Å; N567-H574 WeakPolarHBondContact CB-CE1 3.1Å; N567-H574 WeakPolarHBondContact CB-NE2 3.39Å; N567-H574 PolarHBondContact ND2-CE1 3.45Å; N567-H574 PolarHBondContact ND2-NE2 2.62Å; N567-H574 PolarHBondContact OD1-CE1 3.3Å; F571-H574 PolarHBondContact O-CE1 2.96Å; H574-K655 PolarHBondContact O-NZ 2.85Å; H574-K655 VanDerWaalsContact O-NZ 3.08Å
575	S	53.3	Low	70.4	Confident	23 Å²	23	43.8 Å²	43.8	16%	0.161	23%	0.225	C	C	.	.			trans	-122.4	22.1	-176	-162.6	0	0	0	0	112.1	S658	S575-S658 WeakPolarHBondContact OG-CB 3.41Å; S575-S658 PolarHBondContact OG-OG 3.18Å
576	D	52.4	Low	70.9	Confident	80 Å²	80	46 Å²	46	43%	0.428	23%	0.232	S	C	.	.			trans	-74.2	139.6	-174.6	-158.9	-6.7	0	0	0	112	Q578	D576-Q578 PolarHBondContact O-N 2.94Å
577	R	47.5	Very low	71.5	Confident	171 Å²	171	42.1 Å²	42.1	65%	0.645	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-15.6	-173.3	-154.5	172.8	-174.1	172	4.5	112.9	E661	R577-E661 IonicContact CZ-OE2 3.55Å; R577-E661 IonicContact NE-OE2 2.76Å; R577-E661 IonicContact NH2-OE2 3.07Å; R577-E661 PolarHBondContact NH2-OE2 2.85Å
578	Q	47.3	Very low	72	Confident	112 Å²	112	43 Å²	43	52%	0.523	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108	15.5	-177.1	-77	-177.2	-12.9	0	0	114.7	D576 K580	D576-Q578 PolarHBondContact O-N 2.94Å; Q578-K580 PolarHBondContact O-N 3.24Å
579	E	56.8	Low	72.7	Confident	30 Å²	30	44.8 Å²	44.8	14%	0.14	24%	0.243	C	C	.	.	S	Bend	trans	-60.3	140	171.7	-66.8	-154.8	142.3	0	0	111.6	R566 K584	R566-E579 VanDerWaalsContact NH1-CD 3.31Å; R566-E579 IonicContact NH1-OE1 3.08Å; R566-E579 PolarHBondContact NH1-OE1 3.23Å; R566-E579 IonicContact NH1-OE2 3.97Å; E579-K584 HydrophobicContact CB-CB 4.17Å; E579-K584 WeakPolarHBondContact OE2-CA 3.34Å
580	K	62.8	Low	73	Confident	95 Å²	95	45.7 Å²	45.7	41%	0.413	25%	0.247	S	C	.	.			trans	-50	130.8	167	-75.5	-178.1	177.6	175.3	0	107.9	D558 Q578 T582 S583 K584	D558-K580 PolarHBondContact O-NZ 2.95Å; Q578-K580 PolarHBondContact O-N 3.24Å; K580-T582 PolarHBondContact O-N 2.79Å; K580-S583 WeakPolarHBondContact O-CB 3.05Å; K580-S583 PolarHBondContact O-N 3.1Å; K580-K584 PolarHBondContact O-N 3.37Å
581	P	69.1	Low	72.9	Confident	111 Å²	111	45.8 Å²	45.8	72%	0.721	25%	0.248	S	C	*	.	H	α-helix	trans	-57.7	-28.4	-171	20	-32.1	0	0	0	113	G585	P581-G585 PolarHBondContact O-N 2.86Å
582	T	74.1	Confident	72.9	Confident	69 Å²	69	47 Å²	47	42%	0.423	25%	0.254	S	S	.	.	H	α-helix	trans	-64.6	-45.9	174.1	47.7	0	0	0	0	113.4	V559 K580 G585 Y586	V559-T582 HydrophobicContact CG1-CG2 4.29Å; V559-T582 PolarHBondContact O-OG1 3.31Å; V559-T582 VanDerWaalsContact O-OG1 3.11Å; K580-T582 PolarHBondContact O-N 2.79Å; T582-G585 PolarHBondContact O-N 3.21Å; T582-Y586 WeakPolarHBondContact O-CB 3.05Å; T582-Y586 PolarHBondContact O-N 3.29Å
583	S	75.9	Confident	73.3	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.1	-46.3	178.3	174.8	0	0	0	0	111.3	Y563 R566 K580 Y586 S587	Y563-S583 WeakPolarHBondContact CD2-OG 3.29Å; Y563-S583 WeakPolarHBondContact CE2-OG 3.43Å; R566-S583 PolarHBondContact NH1-OG 3.02Å; K580-S583 WeakPolarHBondContact O-CB 3.05Å; K580-S583 PolarHBondContact O-N 3.1Å; S583-Y586 PolarHBondContact O-N 3.42Å; S583-S587 PolarHBondContact O-N 2.97Å
584	K	77.2	Confident	74.2	Confident	57 Å²	57	50.7 Å²	50.7	25%	0.248	28%	0.281	C	S	.	.	H	α-helix	trans	-61.7	-47.1	177.6	-171.7	174.4	-179.3	176.3	0	110.7	E579 K580 Y586 S587 T588	E579-K584 HydrophobicContact CB-CB 4.17Å; E579-K584 WeakPolarHBondContact OE2-CA 3.34Å; K580-K584 PolarHBondContact O-N 3.37Å; K584-Y586 VanDerWaalsContact C-N 3.32Å; K584-Y586 PolarHBondContact O-N 3.45Å; K584-S587 PolarHBondContact O-N 2.96Å; K584-T588 WeakPolarHBondContact O-CB 3.48Å; K584-T588 PolarHBondContact O-N 2.88Å; K584-T588 PolarHBondContact O-OG1 3.46Å; K584-T588 VanDerWaalsContact O-OG1 3.1Å
585	G	81.9	Confident	75.3	Confident	45 Å²	45	49.7 Å²	49.7	46%	0.464	28%	0.277	S	S	.	.	H	α-helix	trans	-59.4	-40	176.9	0	0	0	0	0	113.3	P581 T582 G589	P581-G585 PolarHBondContact O-N 2.86Å; T582-G585 PolarHBondContact O-N 3.21Å; G585-G589 PolarHBondContact O-N 3.47Å
586	Y	88.2	Confident	77	Confident	49 Å²	49	51.9 Å²	51.9	19%	0.192	29%	0.286	C	S	.	.	H	α-helix	trans	-66.6	-51	177.5	-171.8	-96.4	0	0	0	112.6	I549 V552 P553 F560 T582 S583 K584 T588 G589 I590	I549-Y586 WeakPolarHBondContact CA-OH 3.47Å; I549-Y586 PolarHBondContact O-OH 3.44Å; V552-Y586 HydrophobicContact CG1-CE2 3.94Å; P553-Y586 HydrophobicContact CG-CD1 4.2Å; P553-Y586 HydrophobicContact CG-CE1 3.69Å; F560-Y586 HydrophobicContact CE1-CD2 4.43Å; F560-Y586 HydrophobicContact CE1-CG 4.1Å; T582-Y586 WeakPolarHBondContact O-CB 3.05Å; T582-Y586 PolarHBondContact O-N 3.29Å; S583-Y586 PolarHBondContact O-N 3.42Å; K584-Y586 VanDerWaalsContact C-N 3.32Å; K584-Y586 PolarHBondContact O-N 3.45Å; Y586-T588 VanDerWaalsContact C-N 3.32Å; Y586-T588 PolarHBondContact O-N 3.35Å; Y586-G589 PolarHBondContact O-N 3.16Å; Y586-G589 VanDerWaalsContact O-N 3.12Å; Y586-I590 HydrophobicContact CD1-CG1 4.38Å; Y586-I590 HydrophobicContact CE1-CG1 3.98Å; Y586-I590 HydrophobicContact CE2-CG1 4.5Å; Y586-I590 WeakPolarHBondContact O-CG1 3.47Å; Y586-I590 PolarHBondContact O-N 3.08Å
587	S	86.4	Confident	78.9	Confident	3 Å²	3	52.4 Å²	52.4	2%	0.021	29%	0.292	C	S	.	.	H	α-helix	trans	-57.9	-44.2	177.6	-178.3	0	0	0	0	111.4	Y563 P572 S583 K584 I590 F591 K655	Y563-S587 WeakPolarHBondContact OH-CB 3.3Å; P572-S587 PolarHBondContact O-OG 3.48Å; S583-S587 PolarHBondContact O-N 2.97Å; K584-S587 PolarHBondContact O-N 2.96Å; S587-I590 PolarHBondContact O-N 2.9Å; S587-F591 WeakPolarHBondContact O-CD2 3.36Å; S587-F591 PolarHBondContact O-N 3.44Å; S587-K655 PolarHBondContact OG-NZ 3.38Å; S587-K655 VanDerWaalsContact OG-NZ 3.07Å
588	T	86.4	Confident	80.9	Confident	28 Å²	28	44.6 Å²	44.6	17%	0.172	26%	0.264	C	S	.	.	H	α-helix	trans	-62.9	-43.9	174.6	-62.6	0	0	0	0	111.8	K584 Y586 I590 L592 G593 L659	K584-T588 WeakPolarHBondContact O-CB 3.48Å; K584-T588 PolarHBondContact O-N 2.88Å; K584-T588 PolarHBondContact O-OG1 3.46Å; K584-T588 VanDerWaalsContact O-OG1 3.1Å; Y586-T588 VanDerWaalsContact C-N 3.32Å; Y586-T588 PolarHBondContact O-N 3.35Å; T588-I590 VanDerWaalsContact C-N 3.3Å; T588-I590 PolarHBondContact O-N 3.34Å; T588-L592 HydrophobicContact CG2-CB 4.25Å; T588-L592 HydrophobicContact CG2-CD2 4.13Å; T588-L592 WeakPolarHBondContact O-CA 3.37Å; T588-L592 VanDerWaalsContact O-CB 3.28Å; T588-L592 WeakPolarHBondContact O-CB 3.31Å; T588-L592 PolarHBondContact O-N 3.44Å; T588-G593 PolarHBondContact O-N 3.36Å; T588-L659 HydrophobicContact CG2-CD1 4.09Å; T588-L659 HydrophobicContact CG2-CD2 4.23Å
589	G	89.2	Confident	82.8	Confident	39 Å²	39	41.6 Å²	41.6	40%	0.402	25%	0.249	S	C	.	.	I	π-helix	trans	-59.5	-38.7	179.1	0	0	0	0	0	113.4	G585 Y586 G593 L594	G585-G589 PolarHBondContact O-N 3.47Å; Y586-G589 PolarHBondContact O-N 3.16Å; Y586-G589 VanDerWaalsContact O-N 3.12Å; G589-G593 CarbonylContact O-C 3.58Å; G589-G593 WeakPolarHBondContact O-CA 3.49Å; G589-G593 PolarHBondContact O-N 3.17Å; G589-G593 VanDerWaalsContact O-N 3.17Å; G589-L594 PolarHBondContact O-N 2.94Å
590	I	90.1	Very high	84.4	Confident	19 Å²	19	45 Å²	45	10%	0.097	27%	0.268	C	S	.	.	I	π-helix	trans	-79	-61.2	178.7	-59.1	-58.7	0	0	0	111.3	M500 E504 I549 Y586 S587 T588 L592 L594 N595	M500-I590 HydrophobicContact CE-CG2 3.64Å; E504-I590 VanDerWaalsContact CD-CG2 3.41Å; E504-I590 HydrophobicContact CG-CG2 4.09Å; E504-I590 VanDerWaalsContact OE2-CG2 3.22Å; E504-I590 WeakPolarHBondContact OE2-CG2 3.45Å; I549-I590 HydrophobicContact CD1-CD1 4.4Å; I549-I590 HydrophobicContact CG1-CD1 4.3Å; I549-I590 HydrophobicContact CG2-CD1 3.83Å; I549-I590 HydrophobicContact CG2-CG1 4.12Å; I549-I590 HydrophobicContact CG2-CG2 4.16Å; Y586-I590 HydrophobicContact CD1-CG1 4.38Å; Y586-I590 HydrophobicContact CE1-CG1 3.98Å; Y586-I590 HydrophobicContact CE2-CG1 4.5Å; Y586-I590 WeakPolarHBondContact O-CG1 3.47Å; Y586-I590 PolarHBondContact O-N 3.08Å; S587-I590 PolarHBondContact O-N 2.9Å; T588-I590 VanDerWaalsContact C-N 3.3Å; T588-I590 PolarHBondContact O-N 3.34Å; I590-L592 PolarHBondContact O-N 2.89Å; I590-L594 PolarHBondContact O-N 3.28Å; I590-N595 PolarHBondContact O-N 2.92Å
591	F	85.9	Confident	85.7	Confident	1 Å²	1	42.8 Å²	42.8	0%	0.004	26%	0.262	C	S	.	.	I	π-helix	trans	-73.3	-29.5	-171.3	-71	-66.9	0	0	0	114.4	M500 F571 P572 L573 S587 W648 F652	M500-F591 HydrophobicContact CE-CE1 3.69Å; M500-F591 HydrophobicContact CE-CE2 4.04Å; M500-F591 HydrophobicContact CE-CZ 3.41Å; M500-F591 VanDerWaalsContact CE-CZ 3.41Å; M500-F591 HydrophobicContact SD-CE1 4.41Å; M500-F591 HydrophobicContact SD-CE2 4.05Å; M500-F591 HydrophobicContact SD-CZ 3.58Å; M500-F591 VanDerWaalsContact SD-CZ 3.58Å; F571-F591 HydrophobicContact CE1-CE1 4.09Å; F571-F591 HydrophobicContact CE1-CE2 4.44Å; F571-F591 AromaticContact CE1-CZ 3.63Å; F571-F591 HydrophobicContact CE1-CZ 3.63Å; F571-F591 AromaticContact CZ-CE1 3.86Å; F571-F591 HydrophobicContact CZ-CE1 3.86Å; F571-F591 AromaticContact CZ-CZ 3.56Å; F571-F591 HydrophobicContact CZ-CZ 3.56Å; P572-F591 HydrophobicContact CG-CE2 4.13Å; P572-F591 HydrophobicContact CG-CZ 4.35Å; L573-F591 HydrophobicContact CD1-CD1 4.47Å; L573-F591 HydrophobicContact CD1-CD2 4.29Å; L573-F591 HydrophobicContact CD1-CE2 4.47Å; L573-F591 HydrophobicContact CD1-CG 4.29Å; S587-F591 WeakPolarHBondContact O-CD2 3.36Å; S587-F591 PolarHBondContact O-N 3.44Å; F591-W648 HydrophobicContact CD1-CZ3 4.33Å; F591-F652 WeakPolarHBondContact O-CE1 3.33Å
592	L	87.2	Confident	86.5	Confident	27 Å²	27	37.7 Å²	37.7	14%	0.141	23%	0.229	C	C	.	.	I	π-helix	trans	-103.7	-38.7	176.4	-176.6	65.8	0	0	0	111.8	T588 I590 L596 F652 I656 L659	T588-L592 HydrophobicContact CG2-CB 4.25Å; T588-L592 HydrophobicContact CG2-CD2 4.13Å; T588-L592 WeakPolarHBondContact O-CA 3.37Å; T588-L592 VanDerWaalsContact O-CB 3.28Å; T588-L592 WeakPolarHBondContact O-CB 3.31Å; T588-L592 PolarHBondContact O-N 3.44Å; I590-L592 PolarHBondContact O-N 2.89Å; L592-L596 WeakPolarHBondContact O-CB 3.11Å; L592-F652 HydrophobicContact CD1-CB 4.45Å; L592-F652 HydrophobicContact CD1-CD1 4.04Å; L592-I656 HydrophobicContact CD1-CD1 4.49Å; L592-I656 HydrophobicContact CD1-CG1 4.16Å; L592-I656 HydrophobicContact CD2-CG1 4.41Å; L592-L659 HydrophobicContact CD2-CD1 3.61Å
593	G	89.6	Confident	87.1	Confident	33 Å²	33	37.2 Å²	37.2	34%	0.34	23%	0.226	S	C	.	.	I	π-helix	trans	-75.1	-71.6	-179	0	0	0	0	0	112.8	T588 G589 N595 L596 V597	T588-G593 PolarHBondContact O-N 3.36Å; G589-G593 CarbonylContact O-C 3.58Å; G589-G593 WeakPolarHBondContact O-CA 3.49Å; G589-G593 PolarHBondContact O-N 3.17Å; G589-G593 VanDerWaalsContact O-N 3.17Å; G593-N595 PolarHBondContact O-N 3.06Å; G593-L596 PolarHBondContact O-N 2.94Å; G593-V597 WeakPolarHBondContact O-CG2 3.38Å; G593-V597 PolarHBondContact O-N 3.21Å; G593-V597 VanDerWaalsContact O-N 3.07Å
594	L	90.6	Very high	87.7	Confident	50 Å²	50	43.4 Å²	43.4	26%	0.262	25%	0.253	S	S	.	.	I	π-helix	trans	-60.4	-46.5	-174	-176	145.1	0	0	0	112	L508 I549 G589 I590 L596 V597 A598	L508-L594 HydrophobicContact CD2-CD2 4.14Å; I549-L594 HydrophobicContact CD1-CD1 4.13Å; G589-L594 PolarHBondContact O-N 2.94Å; I590-L594 PolarHBondContact O-N 3.28Å; L594-L596 PolarHBondContact O-N 3.07Å; L594-V597 PolarHBondContact O-N 3.47Å; L594-A598 WeakPolarHBondContact O-CB 3.28Å; L594-A598 PolarHBondContact O-N 3.32Å
595	N	88.4	Confident	88.2	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.011	24%	0.242	C	C	.	.	H	α-helix	trans	-68.8	-32.6	-178.9	-70.3	-21.4	0	0	0	113	E504 I590 G593 F599 W648 F652	E504-N595 PolarHBondContact OE1-ND2 3.27Å; E504-N595 PolarHBondContact OE2-OD1 3.27Å; I590-N595 PolarHBondContact O-N 2.92Å; G593-N595 PolarHBondContact O-N 3.06Å; N595-F599 VanDerWaalsContact O-CB 3.31Å; N595-F599 WeakPolarHBondContact O-CB 3.11Å; N595-F599 PolarHBondContact O-N 2.96Å; N595-W648 HydrophobicContact CB-CE3 4.34Å; N595-W648 HydrophobicContact CB-CZ3 4.22Å; N595-W648 VanDerWaalsContact ND2-CH2 3.27Å; N595-W648 WeakPolarHBondContact ND2-CH2 3.3Å; N595-W648 WeakPolarHBondContact ND2-CZ3 3.34Å; N595-F652 HydrophobicContact CB-CE1 4.08Å; N595-F652 HydrophobicContact CB-CZ 4.34Å
596	L	89.3	Confident	88.2	Confident	68 Å²	68	39.3 Å²	39.3	36%	0.356	22%	0.222	S	C	.	.	H	α-helix	trans	-68.3	-41.3	172.9	-178.9	65	0	0	0	111.5	L592 G593 L594 F599 L600 F652	L592-L596 WeakPolarHBondContact O-CB 3.11Å; G593-L596 PolarHBondContact O-N 2.94Å; L594-L596 PolarHBondContact O-N 3.07Å; L596-F599 WeakPolarHBondContact O-CB 3.4Å; L596-F599 PolarHBondContact O-N 3Å; L596-L600 HydrophobicContact CG-CD1 4.31Å; L596-L600 VanDerWaalsContact O-CG 3.31Å; L596-L600 WeakPolarHBondContact O-CG 3.2Å; L596-L600 PolarHBondContact O-N 2.03Å; L596-F652 HydrophobicContact CB-CE1 4.36Å; L596-F652 HydrophobicContact CB-CZ 4.47Å
597	V	91.9	Very high	87.9	Confident	92 Å²	92	40.3 Å²	40.3	56%	0.558	24%	0.237	S	C	*	.	H	α-helix	trans	-61.5	-47.3	175.8	172.3	0	0	0	0	110.4	G593 L594 F599 L600 V601	G593-V597 WeakPolarHBondContact O-CG2 3.38Å; G593-V597 PolarHBondContact O-N 3.21Å; G593-V597 VanDerWaalsContact O-N 3.07Å; L594-V597 PolarHBondContact O-N 3.47Å; V597-F599 VanDerWaalsContact C-N 3.3Å; V597-F599 PolarHBondContact O-N 2.94Å; V597-L600 PolarHBondContact O-N 2.87Å; V597-V601 VanDerWaalsContact O-CG2 3.32Å; V597-V601 WeakPolarHBondContact O-CG2 3.42Å; V597-V601 PolarHBondContact O-N 3Å
598	A	90.1	Very high	87.8	Confident	7 Å²	7	41.6 Å²	41.6	6%	0.058	25%	0.246	C	C	.	.	H	α-helix	trans	-55.4	-46.1	174.9	0	0	0	0	0	111.7	V507 T511 L594 V601 I602	V507-A598 HydrophobicContact CG1-CB 3.64Å; T511-A598 WeakPolarHBondContact OG1-CB 3.42Å; L594-A598 WeakPolarHBondContact O-CB 3.28Å; L594-A598 PolarHBondContact O-N 3.32Å; A598-V601 PolarHBondContact O-N 3.2Å; A598-I602 VanDerWaalsContact O-CG1 3.25Å; A598-I602 WeakPolarHBondContact O-CG1 3.26Å; A598-I602 PolarHBondContact O-N 3.28Å
599	F	87.9	Confident	87.5	Confident	49 Å²	49	40.3 Å²	40.3	22%	0.215	24%	0.237	C	C	.	.	H	α-helix	trans	-61.2	-45.9	177.2	-179.5	-104.5	0	0	0	113	N595 L596 V597 V601 I602 V603 A645 F652	N595-F599 VanDerWaalsContact O-CB 3.31Å; N595-F599 WeakPolarHBondContact O-CB 3.11Å; N595-F599 PolarHBondContact O-N 2.96Å; L596-F599 WeakPolarHBondContact O-CB 3.4Å; L596-F599 PolarHBondContact O-N 3Å; V597-F599 VanDerWaalsContact C-N 3.3Å; V597-F599 PolarHBondContact O-N 2.94Å; F599-V601 VanDerWaalsContact C-N 3.34Å; F599-V601 PolarHBondContact O-N 3.04Å; F599-I602 WeakPolarHBondContact O-CB 3.45Å; F599-I602 PolarHBondContact O-N 3.02Å; F599-V603 HydrophobicContact CD1-CG2 4.32Å; F599-V603 HydrophobicContact CD2-CG2 4.48Å; F599-V603 HydrophobicContact CE1-CG2 3.85Å; F599-V603 HydrophobicContact CE2-CG2 4Å; F599-V603 HydrophobicContact CZ-CG2 3.67Å; F599-V603 WeakPolarHBondContact O-CG2 3.33Å; F599-V603 PolarHBondContact O-N 3.3Å; F599-A645 HydrophobicContact CE2-CB 3.52Å; F599-A645 HydrophobicContact CZ-CB 4.13Å; F599-F652 HydrophobicContact CB-CZ 4.5Å
600	L	89.9	Confident	87.1	Confident	101 Å²	101	41.9 Å²	41.9	53%	0.529	23%	0.234	S	C	.	.	H	α-helix	trans	-62.1	-41.1	177.6	-70.5	173.6	0	0	0	112	L596 V597 I602 V603 F604	L596-L600 HydrophobicContact CG-CD1 4.31Å; L596-L600 VanDerWaalsContact O-CG 3.31Å; L596-L600 WeakPolarHBondContact O-CG 3.2Å; L596-L600 PolarHBondContact O-N 2.03Å; V597-L600 PolarHBondContact O-N 2.87Å; L600-I602 VanDerWaalsContact C-N 3.33Å; L600-I602 PolarHBondContact O-N 2.92Å; L600-V603 PolarHBondContact O-N 3.24Å; L600-F604 WeakPolarHBondContact O-CB 3.36Å; L600-F604 PolarHBondContact O-N 2.92Å
601	V	90.1	Very high	86.7	Confident	49 Å²	49	48.1 Å²	48.1	30%	0.297	26%	0.257	S	S	.	.	H	α-helix	trans	-61.6	-43.5	175.8	170.7	0	0	0	0	110.9	T511 L515 V597 A598 F599 S605	T511-V601 HydrophobicContact CG2-CB 4.18Å; T511-V601 HydrophobicContact CG2-CG1 3.77Å; L515-V601 HydrophobicContact CD1-CG1 3.99Å; L515-V601 HydrophobicContact CD2-CG1 3.84Å; L515-V601 HydrophobicContact CG-CG1 4.01Å; V597-V601 VanDerWaalsContact O-CG2 3.32Å; V597-V601 WeakPolarHBondContact O-CG2 3.42Å; V597-V601 PolarHBondContact O-N 3Å; A598-V601 PolarHBondContact O-N 3.2Å; F599-V601 VanDerWaalsContact C-N 3.34Å; F599-V601 PolarHBondContact O-N 3.04Å; V601-S605 VanDerWaalsContact O-CB 3.27Å; V601-S605 WeakPolarHBondContact O-CB 3.12Å; V601-S605 PolarHBondContact O-N 3.02Å; V601-S605 PolarHBondContact O-OG 3.06Å
602	I	86.5	Confident	86.4	Confident	3 Å²	3	49.1 Å²	49.1	2%	0.015	26%	0.264	C	S	.	.	H	α-helix	trans	-59.6	-54.9	176.2	-71.7	167.2	0	0	0	110	T511 T514 A598 F599 L600 F604 S605 Y606 V641	T511-I602 HydrophobicContact CG2-CG1 4.29Å; T514-I602 HydrophobicContact CG2-CG1 4.13Å; T514-I602 HydrophobicContact CG2-CG2 4.23Å; A598-I602 VanDerWaalsContact O-CG1 3.25Å; A598-I602 WeakPolarHBondContact O-CG1 3.26Å; A598-I602 PolarHBondContact O-N 3.28Å; F599-I602 WeakPolarHBondContact O-CB 3.45Å; F599-I602 PolarHBondContact O-N 3.02Å; L600-I602 VanDerWaalsContact C-N 3.33Å; L600-I602 PolarHBondContact O-N 2.92Å; I602-F604 VanDerWaalsContact C-N 3.32Å; I602-F604 PolarHBondContact O-N 2.88Å; I602-S605 WeakPolarHBondContact O-CB 3.39Å; I602-S605 PolarHBondContact O-N 3.22Å; I602-S605 VanDerWaalsContact O-N 3.13Å; I602-Y606 HydrophobicContact CG2-CD2 3.8Å; I602-Y606 HydrophobicContact CG2-CE2 3.85Å; I602-Y606 WeakPolarHBondContact O-CD2 3.32Å; I602-Y606 PolarHBondContact O-N 3.09Å; I602-V641 HydrophobicContact CG2-CB 4.24Å; I602-V641 HydrophobicContact CG2-CG1 3.31Å; I602-V641 HydrophobicContact CG2-CG2 3.94Å
603	V	86.3	Confident	85.7	Confident	60 Å²	60	48.5 Å²	48.5	36%	0.364	26%	0.261	S	S	.	.	H	α-helix	trans	-58.5	-43.4	-178.4	172.3	0	0	0	0	111.8	F599 L600 Y606 S607	F599-V603 HydrophobicContact CD1-CG2 4.32Å; F599-V603 HydrophobicContact CD2-CG2 4.48Å; F599-V603 HydrophobicContact CE1-CG2 3.85Å; F599-V603 HydrophobicContact CE2-CG2 4Å; F599-V603 HydrophobicContact CZ-CG2 3.67Å; F599-V603 WeakPolarHBondContact O-CG2 3.33Å; F599-V603 PolarHBondContact O-N 3.3Å; L600-V603 PolarHBondContact O-N 3.24Å; V603-Y606 PolarHBondContact O-N 2.92Å; V603-S607 WeakPolarHBondContact O-CB 3.49Å; V603-S607 PolarHBondContact O-N 3.27Å; V603-S607 PolarHBondContact O-OG 2.92Å
604	F	89.2	Confident	85.1	Confident	130 Å²	130	54.7 Å²	54.7	57%	0.57	28%	0.275	S	S	*	.	H	α-helix	trans	-62.1	-44.7	176.6	174.9	-96.7	0	0	0	112.2	L600 I602 Y606 S607 S608	L600-F604 WeakPolarHBondContact O-CB 3.36Å; L600-F604 PolarHBondContact O-N 2.92Å; I602-F604 VanDerWaalsContact C-N 3.32Å; I602-F604 PolarHBondContact O-N 2.88Å; F604-Y606 PolarHBondContact O-N 2.96Å; F604-S607 PolarHBondContact O-N 2.86Å; F604-S608 WeakPolarHBondContact O-CB 3.42Å; F604-S608 PolarHBondContact O-N 3.39Å; F604-S608 PolarHBondContact O-OG 3.49Å
605	S	86.1	Confident	84.5	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.007	29%	0.287	C	S	.	.	H	α-helix	trans	-62.9	-41.3	-180	-61.5	0	0	0	0	111.5	F518 V601 I602 M609	F518-S605 WeakPolarHBondContact CD2-O 3.26Å; V601-S605 VanDerWaalsContact O-CB 3.27Å; V601-S605 WeakPolarHBondContact O-CB 3.12Å; V601-S605 PolarHBondContact O-N 3.02Å; V601-S605 PolarHBondContact O-OG 3.06Å; I602-S605 WeakPolarHBondContact O-CB 3.39Å; I602-S605 PolarHBondContact O-N 3.22Å; I602-S605 VanDerWaalsContact O-N 3.13Å; S605-M609 VanDerWaalsContact O-CB 3.29Å; S605-M609 WeakPolarHBondContact O-CB 3.33Å; S605-M609 PolarHBondContact O-N 2.86Å
606	Y	81.9	Confident	83.6	Confident	14 Å²	14	61.1 Å²	61.1	6%	0.055	31%	0.307	C	S	.	.	H	α-helix	trans	-69.4	-46	176.1	-83.7	-73.6	0	0	0	113.3	T514 I602 V603 F604 S608 M609 F610 F637 V641	T514-Y606 HydrophobicContact CG2-CE2 3.45Å; T514-Y606 VanDerWaalsContact CG2-CE2 3.45Å; T514-Y606 WeakPolarHBondContact CG2-OH 3.32Å; I602-Y606 HydrophobicContact CG2-CD2 3.8Å; I602-Y606 HydrophobicContact CG2-CE2 3.85Å; I602-Y606 WeakPolarHBondContact O-CD2 3.32Å; I602-Y606 PolarHBondContact O-N 3.09Å; V603-Y606 PolarHBondContact O-N 2.92Å; F604-Y606 PolarHBondContact O-N 2.96Å; Y606-S608 PolarHBondContact O-N 3.4Å; Y606-M609 HydrophobicContact CD1-CE 4.38Å; Y606-M609 HydrophobicContact CD1-SD 4.34Å; Y606-M609 HydrophobicContact CE1-CE 4.18Å; Y606-M609 HydrophobicContact CE1-SD 4.27Å; Y606-M609 WeakPolarHBondContact O-CB 3.34Å; Y606-M609 PolarHBondContact O-N 3.31Å; Y606-M609 VanDerWaalsContact O-N 3.09Å; Y606-F610 HydrophobicContact CD1-CE2 4.19Å; Y606-F610 VanDerWaalsContact O-CD2 3.31Å; Y606-F610 WeakPolarHBondContact O-CD2 3.02Å; Y606-F610 PolarHBondContact O-N 3.44Å; Y606-F637 HydrophobicContact CE1-CB 3.69Å; Y606-F637 WeakPolarHBondContact OH-CB 3.44Å; Y606-V641 HydrophobicContact CD2-CB 4.26Å; Y606-V641 HydrophobicContact CD2-CG1 3.91Å; Y606-V641 HydrophobicContact CD2-CG2 3.99Å; Y606-V641 HydrophobicContact CE1-CG2 4.49Å; Y606-V641 HydrophobicContact CE2-CB 3.85Å; Y606-V641 HydrophobicContact CE2-CG1 3.94Å; Y606-V641 HydrophobicContact CE2-CG2 3.13Å; Y606-V641 VanDerWaalsContact CZ-CG2 3.44Å; Y606-V641 WeakPolarHBondContact OH-CG2 3.3Å
607	S	83.7	Confident	82.5	Confident	71 Å²	71	59.2 Å²	59.2	50%	0.497	30%	0.303	S	S	.	.	H	α-helix	trans	-56	-44.6	177.8	-57.8	0	0	0	0	110.5	V603 F604 Y611	V603-S607 WeakPolarHBondContact O-CB 3.49Å; V603-S607 PolarHBondContact O-N 3.27Å; V603-S607 PolarHBondContact O-OG 2.92Å; F604-S607 PolarHBondContact O-N 2.86Å; S607-Y611 VanDerWaalsContact O-CB 3.3Å; S607-Y611 WeakPolarHBondContact O-CB 3.32Å; S607-Y611 PolarHBondContact O-N 2.9Å
608	S	83.6	Confident	81	Confident	30 Å²	30	60 Å²	60	21%	0.21	30%	0.303	C	S	.	.	H	α-helix	trans	-67.4	-38.6	176.4	-55.7	0	0	0	0	113	F518 F604 Y606 Y611 S612	F518-S608 VanDerWaalsContact CE2-CB 3.46Å; F604-S608 WeakPolarHBondContact O-CB 3.42Å; F604-S608 PolarHBondContact O-N 3.39Å; F604-S608 PolarHBondContact O-OG 3.49Å; Y606-S608 PolarHBondContact O-N 3.4Å; S608-Y611 PolarHBondContact O-N 2.79Å; S608-S612 WeakPolarHBondContact O-CB 3.26Å; S608-S612 PolarHBondContact O-N 2.93Å
609	M	81	Confident	79.6	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-62.2	-48.9	176.2	-174	-171.5	-57	0	0	111.4	K517 F518 I521 S605 Y606 S612 I613 A634	K517-M609 HydrophobicContact CB-CE 3.85Å; F518-M609 HydrophobicContact CB-CE 4.41Å; I521-M609 HydrophobicContact CB-CG 4.18Å; I521-M609 HydrophobicContact CD1-CE 4.06Å; I521-M609 HydrophobicContact CD1-CG 3.76Å; I521-M609 HydrophobicContact CD1-SD 3.48Å; I521-M609 WeakPolarHBondContact CD1-SD 3.11Å; I521-M609 HydrophobicContact CG2-CG 3.85Å; S605-M609 VanDerWaalsContact O-CB 3.29Å; S605-M609 WeakPolarHBondContact O-CB 3.33Å; S605-M609 PolarHBondContact O-N 2.86Å; Y606-M609 HydrophobicContact CD1-CE 4.38Å; Y606-M609 HydrophobicContact CD1-SD 4.34Å; Y606-M609 HydrophobicContact CE1-CE 4.18Å; Y606-M609 HydrophobicContact CE1-SD 4.27Å; Y606-M609 WeakPolarHBondContact O-CB 3.34Å; Y606-M609 PolarHBondContact O-N 3.31Å; Y606-M609 VanDerWaalsContact O-N 3.09Å; M609-S612 PolarHBondContact O-N 2.97Å; M609-I613 HydrophobicContact CG-CD1 4.18Å; M609-I613 VanDerWaalsContact O-CG1 3.3Å; M609-I613 WeakPolarHBondContact O-CG1 3.42Å; M609-I613 PolarHBondContact O-N 2.85Å; M609-A634 HydrophobicContact SD-CB 4.44Å
610	F	80.1	Confident	78.1	Confident	73 Å²	73	65.6 Å²	65.6	32%	0.32	34%	0.34	S	S	.	.	H	α-helix	trans	-64.5	-41.2	177.2	-83.6	-72.9	0	0	0	112.1	Y606 S612 I613 Y614 A634 F638	Y606-F610 HydrophobicContact CD1-CE2 4.19Å; Y606-F610 VanDerWaalsContact O-CD2 3.31Å; Y606-F610 WeakPolarHBondContact O-CD2 3.02Å; Y606-F610 PolarHBondContact O-N 3.44Å; F610-S612 VanDerWaalsContact C-N 3.34Å; F610-S612 PolarHBondContact O-N 2.94Å; F610-I613 PolarHBondContact O-N 2.94Å; F610-Y614 WeakPolarHBondContact O-CB 3.46Å; F610-Y614 PolarHBondContact O-N 3.21Å; F610-A634 HydrophobicContact CE1-CB 4.08Å; F610-A634 HydrophobicContact CZ-CB 4.17Å; F610-F638 HydrophobicContact CE2-CB 4.43Å; F610-F638 HydrophobicContact CE2-CD2 4.13Å; F610-F638 HydrophobicContact CZ-CB 4.13Å; F610-F638 HydrophobicContact CZ-CD2 4.29Å; F610-F638 HydrophobicContact CZ-CG 4.49Å
611	Y	81.9	Confident	76.4	Confident	149 Å²	149	67.9 Å²	67.9	58%	0.584	36%	0.359	S	S	*	.	H	α-helix	trans	-60.6	-43.3	175.3	179.6	-97.6	0	0	0	111.9	S607 S608 Y614 K615	S607-Y611 VanDerWaalsContact O-CB 3.3Å; S607-Y611 WeakPolarHBondContact O-CB 3.32Å; S607-Y611 PolarHBondContact O-N 2.9Å; S608-Y611 PolarHBondContact O-N 2.79Å; Y611-Y614 PolarHBondContact O-N 3.24Å; Y611-K615 HydrophobicContact CE1-CD 4.22Å; Y611-K615 WeakPolarHBondContact O-CB 3.37Å; Y611-K615 PolarHBondContact O-N 3.28Å
612	S	78.4	Confident	74.6	Confident	22 Å²	22	73.1 Å²	73.1	15%	0.154	39%	0.385	C	S	.	.	H	α-helix	trans	-62.4	-45.4	175.8	-174.2	0	0	0	0	111.7	S608 M609 F610 Y614 K615 T616	S608-S612 WeakPolarHBondContact O-CB 3.26Å; S608-S612 PolarHBondContact O-N 2.93Å; M609-S612 PolarHBondContact O-N 2.97Å; F610-S612 VanDerWaalsContact C-N 3.34Å; F610-S612 PolarHBondContact O-N 2.94Å; S612-Y614 PolarHBondContact O-N 3.05Å; S612-K615 PolarHBondContact O-N 3.46Å; S612-T616 WeakPolarHBondContact O-CB 3.14Å; S612-T616 PolarHBondContact O-N 2.56Å; S612-T616 PolarHBondContact O-OG1 3.25Å
613	I	73.3	Confident	73.1	Confident	15 Å²	15	75.8 Å²	75.8	8%	0.077	40%	0.399	C	S	.	.	H	α-helix	trans	-60.9	-44.7	176.7	-67.5	166.3	0	0	0	111	I521 M609 F610 T616 G617 L627 V631 A634	I521-I613 HydrophobicContact CG2-CD1 4.34Å; I521-I613 HydrophobicContact CG2-CG1 4.11Å; M609-I613 HydrophobicContact CG-CD1 4.18Å; M609-I613 VanDerWaalsContact O-CG1 3.3Å; M609-I613 WeakPolarHBondContact O-CG1 3.42Å; M609-I613 PolarHBondContact O-N 2.85Å; F610-I613 PolarHBondContact O-N 2.94Å; I613-T616 PolarHBondContact O-N 3.04Å; I613-G617 PolarHBondContact O-N 2.9Å; I613-L627 HydrophobicContact CG2-CD1 4.09Å; I613-V631 HydrophobicContact CG2-CG2 3.6Å; I613-A634 HydrophobicContact CD1-CB 3.54Å
614	Y	77.4	Confident	71.7	Confident	163 Å²	163	81.8 Å²	81.8	64%	0.639	42%	0.415	S	S	*	.	H	α-helix	trans	-60.6	-49.2	176.9	177.6	-99.5	0	0	0	111.9	F610 Y611 S612 T616 G617 I618	F610-Y614 WeakPolarHBondContact O-CB 3.46Å; F610-Y614 PolarHBondContact O-N 3.21Å; Y611-Y614 PolarHBondContact O-N 3.24Å; S612-Y614 PolarHBondContact O-N 3.05Å; Y614-T616 VanDerWaalsContact C-N 3.35Å; Y614-T616 PolarHBondContact O-N 3.06Å; Y614-G617 PolarHBondContact O-N 3.42Å; Y614-I618 HydrophobicContact CD1-CD1 4.17Å; Y614-I618 HydrophobicContact CE1-CD1 3.56Å; Y614-I618 HydrophobicContact CE2-CD1 4.08Å; Y614-I618 PolarHBondContact O-N 2.85Å
615	K	77.9	Confident	70.1	Confident	116 Å²	116	80 Å²	80	50%	0.504	42%	0.419	S	S	.	.	H	α-helix	trans	-62.5	-40.8	179.1	-175.9	176	-179.5	176.7	0	112.2	Y611 S612 G617	Y611-K615 HydrophobicContact CE1-CD 4.22Å; Y611-K615 WeakPolarHBondContact O-CB 3.37Å; Y611-K615 PolarHBondContact O-N 3.28Å; S612-K615 PolarHBondContact O-N 3.46Å; K615-G617 VanDerWaalsContact C-N 3.34Å
616	T	69.3	Low	68.8	Low	70 Å²	70	87.2 Å²	87.2	43%	0.429	45%	0.446	S	S	.	.	H	α-helix	trans	-74.1	-28.4	-179.4	-42	0	0	0	0	111.6	S612 I613 Y614	S612-T616 WeakPolarHBondContact O-CB 3.14Å; S612-T616 PolarHBondContact O-N 2.56Å; S612-T616 PolarHBondContact O-OG1 3.25Å; I613-T616 PolarHBondContact O-N 3.04Å; Y614-T616 VanDerWaalsContact C-N 3.35Å; Y614-T616 PolarHBondContact O-N 3.06Å
617	G	65.6	Low	67.6	Low	28 Å²	28	89 Å²	89	29%	0.289	46%	0.456	S	S	.	.	H	α-helix	trans	-71	-26.2	176	0	0	0	0	0	115.1	I613 Y614 K615	I613-G617 PolarHBondContact O-N 2.9Å; Y614-G617 PolarHBondContact O-N 3.42Å; K615-G617 VanDerWaalsContact C-N 3.34Å
618	I	61.4	Low	66.5	Low	109 Å²	109	91.5 Å²	91.5	56%	0.559	46%	0.46	S	S	*	.	H	α-helix	trans	-79.9	-29.3	178	-69.4	171.4	0	0	0	112.1	Y614	Y614-I618 HydrophobicContact CD1-CD1 4.17Å; Y614-I618 HydrophobicContact CE1-CD1 3.56Å; Y614-I618 HydrophobicContact CE2-CD1 4.08Å; Y614-I618 PolarHBondContact O-N 2.85Å
619	N	59.8	Low	65.5	Low	130 Å²	130	98 Å²	98	70%	0.695	48%	0.48	S	S	*	.	S	Bend	trans	-96.3	-3.4	-167.7	-73.6	-5.6	0	0	0	115.7
620	A	55.8	Low	64.7	Low	43 Å²	43	100.7 Å²	100.7	36%	0.355	49%	0.494	S	S	.	.			trans	-140.4	107.9	-174.6	0	0	0	0	0	113.4	L623	A620-L623 HydrophobicContact CB-CB 3.85Å
621	T	54.8	Low	64	Low	150 Å²	150	99.7 Å²	99.7	92%	0.92	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-22.9	177.8	42.7	0	0	0	0	113.9
622	D	53.7	Low	63.2	Low	159 Å²	159	95.5 Å²	95.5	85%	0.85	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	2.1	-177.7	-144.7	14.8	0	0	0	113.7
623	L	54.9	Low	62.5	Low	58 Å²	58	96.9 Å²	96.9	30%	0.304	50%	0.497	S	S	.	.			trans	-111.6	18	-172.1	-145.8	76	0	0	0	113.6	A620 S625 R626 L627	A620-L623 HydrophobicContact CB-CB 3.85Å; L623-S625 VanDerWaalsContact C-N 3.25Å; L623-S625 PolarHBondContact O-N 2.84Å; L623-R626 HydrophobicContact CD1-CB 4.47Å; L623-R626 HydrophobicContact CD1-CG 4.26Å; L623-R626 HydrophobicContact CG-CB 4.03Å; L623-R626 HydrophobicContact CG-CG 4.35Å; L623-R626 PolarHBondContact O-N 3.3Å; L623-L627 WeakPolarHBondContact O-CB 3.26Å; L623-L627 PolarHBondContact O-N 2.86Å
624	R	55	Low	62.1	Low	187 Å²	187	96.1 Å²	96.1	71%	0.706	49%	0.494	S	S	*	.	H	α-helix	trans	-60.9	-31.5	-175.7	-166.8	167.1	-178.9	161.2	-0.3	113.1	H628	R624-H628 WeakPolarHBondContact O-CB 3.24Å; R624-H628 PolarHBondContact O-CD2 3.35Å; R624-H628 VanDerWaalsContact O-CD2 3.26Å; R624-H628 PolarHBondContact O-N 3.44Å
625	S	55.5	Low	61.6	Low	93 Å²	93	92 Å²	92	65%	0.65	48%	0.483	S	S	*	.	H	α-helix	trans	-73.4	-39.5	177.4	64.6	0	0	0	0	113.3	L623 R629	L623-S625 VanDerWaalsContact C-N 3.25Å; L623-S625 PolarHBondContact O-N 2.84Å; S625-R629 PolarHBondContact O-N 3.11Å
626	R	58.8	Low	61.1	Low	152 Å²	152	89 Å²	89	57%	0.574	47%	0.468	S	S	*	.	H	α-helix	trans	-73.6	-37.9	173.8	-58.4	-173.7	-174.3	174.1	0.1	111.3	L623 H628 R629 D630	L623-R626 HydrophobicContact CD1-CB 4.47Å; L623-R626 HydrophobicContact CD1-CG 4.26Å; L623-R626 HydrophobicContact CG-CB 4.03Å; L623-R626 HydrophobicContact CG-CG 4.35Å; L623-R626 PolarHBondContact O-N 3.3Å; R626-H628 VanDerWaalsContact C-N 3.35Å; R626-H628 PolarHBondContact O-N 2.96Å; R626-R629 WeakPolarHBondContact O-CB 3.31Å; R626-R629 PolarHBondContact O-N 2.79Å; R626-R629 VanDerWaalsContact O-N 3.08Å; R626-D630 VanDerWaalsContact O-CG 3.25Å; R626-D630 PolarHBondContact O-N 3.06Å
627	L	57.6	Low	61.1	Low	50 Å²	50	86.4 Å²	86.4	26%	0.262	45%	0.451	S	S	.	.	H	α-helix	trans	-58.2	-45.7	174	-171.5	71.4	0	0	0	111.4	I613 L623 R629 D630 V631	I613-L627 HydrophobicContact CG2-CD1 4.09Å; L623-L627 WeakPolarHBondContact O-CB 3.26Å; L623-L627 PolarHBondContact O-N 2.86Å; L627-R629 VanDerWaalsContact C-N 3.29Å; L627-R629 PolarHBondContact O-N 3.03Å; L627-D630 PolarHBondContact O-N 2.93Å; L627-V631 HydrophobicContact CD1-CG2 4.44Å; L627-V631 HydrophobicContact CG-CG2 4.34Å; L627-V631 VanDerWaalsContact O-CB 3.32Å; L627-V631 WeakPolarHBondContact O-CB 3.33Å; L627-V631 WeakPolarHBondContact O-CG2 3.48Å; L627-V631 PolarHBondContact O-N 3.23Å
628	H	60.8	Low	61.4	Low	124 Å²	124	89.5 Å²	89.5	57%	0.574	46%	0.456	S	S	*	.	H	α-helix	trans	-61.2	-36.5	174.7	-93.7	-69.9	0	0	0	112.9	R624 R626 A632	R624-H628 WeakPolarHBondContact O-CB 3.24Å; R624-H628 PolarHBondContact O-CD2 3.35Å; R624-H628 VanDerWaalsContact O-CD2 3.26Å; R624-H628 PolarHBondContact O-N 3.44Å; R626-H628 VanDerWaalsContact C-N 3.35Å; R626-H628 PolarHBondContact O-N 2.96Å; H628-A632 VanDerWaalsContact O-CB 3.23Å; H628-A632 WeakPolarHBondContact O-CB 3.41Å; H628-A632 PolarHBondContact O-N 3.14Å
629	R	61.8	Low	61.9	Low	167 Å²	167	90 Å²	90	63%	0.63	46%	0.455	S	S	*	.	H	α-helix	trans	-69.7	-43.2	176.8	-164.9	177.1	70.7	170.8	2.1	111.7	S625 R626 L627 A632 V633	S625-R629 PolarHBondContact O-N 3.11Å; R626-R629 WeakPolarHBondContact O-CB 3.31Å; R626-R629 PolarHBondContact O-N 2.79Å; R626-R629 VanDerWaalsContact O-N 3.08Å; L627-R629 VanDerWaalsContact C-N 3.29Å; L627-R629 PolarHBondContact O-N 3.03Å; R629-A632 PolarHBondContact O-N 3.43Å; R629-V633 WeakPolarHBondContact O-CB 3.49Å; R629-V633 WeakPolarHBondContact O-CG2 3.44Å; R629-V633 PolarHBondContact O-N 3.38Å
630	D	64	Low	62.5	Low	57 Å²	57	84.1 Å²	84.1	31%	0.305	42%	0.423	S	S	.	.	H	α-helix	trans	-73.3	-35.3	-177.7	-62.3	-20.8	0	0	0	111.6	R626 L627 V633 A634	R626-D630 VanDerWaalsContact O-CG 3.25Å; R626-D630 PolarHBondContact O-N 3.06Å; L627-D630 PolarHBondContact O-N 2.93Å; D630-V633 PolarHBondContact O-N 3.48Å; D630-A634 WeakPolarHBondContact O-CB 3.06Å; D630-A634 PolarHBondContact O-N 3.09Å
631	V	65.8	Low	63.3	Low	52 Å²	52	83.1 Å²	83.1	32%	0.315	41%	0.413	S	S	.	.	H	α-helix	trans	-66.6	-42.8	170.7	171.8	0	0	0	0	111.5	I613 L627 V633 A634 N635	I613-V631 HydrophobicContact CG2-CG2 3.6Å; L627-V631 HydrophobicContact CD1-CG2 4.44Å; L627-V631 HydrophobicContact CG-CG2 4.34Å; L627-V631 VanDerWaalsContact O-CB 3.32Å; L627-V631 WeakPolarHBondContact O-CB 3.33Å; L627-V631 WeakPolarHBondContact O-CG2 3.48Å; L627-V631 PolarHBondContact O-N 3.23Å; V631-V633 VanDerWaalsContact C-N 3.29Å; V631-V633 PolarHBondContact O-N 3.45Å; V631-A634 PolarHBondContact O-N 3.32Å; V631-N635 WeakPolarHBondContact O-CB 3.29Å; V631-N635 PolarHBondContact O-N 2.72Å
632	A	64.5	Low	64.4	Low	60 Å²	60	81 Å²	81	50%	0.496	39%	0.391	S	S	.	.	H	α-helix	trans	-63.9	-37	175.9	0	0	0	0	0	111.9	H628 R629 R636	H628-A632 VanDerWaalsContact O-CB 3.23Å; H628-A632 WeakPolarHBondContact O-CB 3.41Å; H628-A632 PolarHBondContact O-N 3.14Å; R629-A632 PolarHBondContact O-N 3.43Å; A632-R636 WeakPolarHBondContact O-CB 3.45Å; A632-R636 PolarHBondContact O-N 3.24Å; A632-R636 VanDerWaalsContact O-N 3.17Å
633	V	64.3	Low	65.7	Low	51 Å²	51	74.1 Å²	74.1	31%	0.309	36%	0.355	S	S	.	.	H	α-helix	trans	-67.7	-45.9	174.2	171.6	0	0	0	0	110.9	R629 D630 V631 R636 F637	R629-V633 WeakPolarHBondContact O-CB 3.49Å; R629-V633 WeakPolarHBondContact O-CG2 3.44Å; R629-V633 PolarHBondContact O-N 3.38Å; D630-V633 PolarHBondContact O-N 3.48Å; V631-V633 VanDerWaalsContact C-N 3.29Å; V631-V633 PolarHBondContact O-N 3.45Å; V633-R636 WeakPolarHBondContact O-CB 3.41Å; V633-R636 PolarHBondContact O-N 3.02Å; V633-F637 HydrophobicContact CG1-CD2 3.94Å; V633-F637 HydrophobicContact CG1-CE2 3.76Å; V633-F637 WeakPolarHBondContact O-CD2 3.32Å; V633-F637 PolarHBondContact O-N 2.99Å
634	A	64.7	Low	66.6	Low	0 Å²	0	71.6 Å²	71.6	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-63.7	-43.8	178.5	0	0	0	0	0	112.8	M609 F610 I613 D630 V631 R636 F637 F638	M609-A634 HydrophobicContact SD-CB 4.44Å; F610-A634 HydrophobicContact CE1-CB 4.08Å; F610-A634 HydrophobicContact CZ-CB 4.17Å; I613-A634 HydrophobicContact CD1-CB 3.54Å; D630-A634 WeakPolarHBondContact O-CB 3.06Å; D630-A634 PolarHBondContact O-N 3.09Å; V631-A634 PolarHBondContact O-N 3.32Å; A634-R636 VanDerWaalsContact C-N 3.28Å; A634-R636 PolarHBondContact O-N 2.82Å; A634-F637 PolarHBondContact O-N 2.93Å; A634-F637 VanDerWaalsContact O-N 3.1Å; A634-F638 PolarHBondContact O-N 3.35Å
635	N	67.1	Low	67.8	Low	76 Å²	76	63.4 Å²	63.4	41%	0.406	32%	0.315	S	S	.	.	H	α-helix	trans	-62.3	-35.3	175.8	-75.8	-7.3	0	0	0	112.3	V631 F637 F638 F639	V631-N635 WeakPolarHBondContact O-CB 3.29Å; V631-N635 PolarHBondContact O-N 2.72Å; N635-F637 VanDerWaalsContact C-N 3.29Å; N635-F637 PolarHBondContact O-N 3.46Å; N635-F638 PolarHBondContact O-N 2.84Å; N635-F639 VanDerWaalsContact O-CD2 3.24Å; N635-F639 WeakPolarHBondContact O-CD2 3.49Å
636	R	69	Low	69.1	Low	53 Å²	53	63.3 Å²	63.3	20%	0.2	31%	0.306	C	S	.	.	H	α-helix	trans	-60.3	-39.4	173.7	153.3	173.4	-156.2	174.7	14	112.3	A632 V633 A634 I640 Y688 T691	A632-R636 WeakPolarHBondContact O-CB 3.45Å; A632-R636 PolarHBondContact O-N 3.24Å; A632-R636 VanDerWaalsContact O-N 3.17Å; V633-R636 WeakPolarHBondContact O-CB 3.41Å; V633-R636 PolarHBondContact O-N 3.02Å; A634-R636 VanDerWaalsContact C-N 3.28Å; A634-R636 PolarHBondContact O-N 2.82Å; R636-I640 WeakPolarHBondContact O-CD1 3.48Å; R636-Y688 PolarHBondContact NH2-O 2.98Å; R636-Y688 VanDerWaalsContact NH2-O 3.15Å; R636-T691 HydrophobicContact CB-CG2 4.24Å; R636-T691 WeakPolarHBondContact CD-O 3.44Å; R636-T691 HydrophobicContact CG-CG2 3.95Å; R636-T691 VanDerWaalsContact CZ-OG1 3.3Å; R636-T691 VanDerWaalsContact NE-CB 3.31Å; R636-T691 PolarHBondContact NE-O 3.21Å; R636-T691 PolarHBondContact NE-OG1 2.87Å; R636-T691 PolarHBondContact NH1-O 3.43Å; R636-T691 PolarHBondContact NH2-OG1 3.01Å; R636-T691 VanDerWaalsContact NH2-OG1 3.13Å
637	F	67.6	Low	70.3	Confident	16 Å²	16	56.6 Å²	56.6	7%	0.07	28%	0.282	C	S	.	.	H	α-helix	trans	-82	-28.9	-178.9	-80.7	-67.3	0	0	0	113.3	H447 K517 Y606 V633 A634 N635 F639 I640 V641	H447-F637 AromaticContact CE1-CZ 3.8Å; H447-F637 AromaticContact NE2-CZ 3.81Å; K517-F637 HydrophobicContact CD-CE2 4.2Å; K517-F637 HydrophobicContact CD-CZ 4.21Å; K517-F637 HydrophobicContact CG-CD2 4.48Å; K517-F637 HydrophobicContact CG-CE1 4.35Å; K517-F637 HydrophobicContact CG-CE2 3.94Å; K517-F637 HydrophobicContact CG-CZ 3.89Å; Y606-F637 HydrophobicContact CE1-CB 3.69Å; Y606-F637 WeakPolarHBondContact OH-CB 3.44Å; V633-F637 HydrophobicContact CG1-CD2 3.94Å; V633-F637 HydrophobicContact CG1-CE2 3.76Å; V633-F637 WeakPolarHBondContact O-CD2 3.32Å; V633-F637 PolarHBondContact O-N 2.99Å; A634-F637 PolarHBondContact O-N 2.93Å; A634-F637 VanDerWaalsContact O-N 3.1Å; N635-F637 VanDerWaalsContact C-N 3.29Å; N635-F637 PolarHBondContact O-N 3.46Å; F637-F639 PolarHBondContact O-N 2.9Å; F637-I640 HydrophobicContact CD1-CD1 4.26Å; F637-I640 PolarHBondContact O-N 3.27Å; F637-V641 PolarHBondContact O-N 3.37Å; F637-V641 VanDerWaalsContact O-N 3.14Å
638	F	72.6	Confident	71.5	Confident	92 Å²	92	54.8 Å²	54.8	40%	0.404	27%	0.272	S	S	.	.	H	α-helix	trans	-56.1	-46.9	175.5	176	-98.3	0	0	0	112.3	F610 A634 N635 I640 V641 F642	F610-F638 HydrophobicContact CE2-CB 4.43Å; F610-F638 HydrophobicContact CE2-CD2 4.13Å; F610-F638 HydrophobicContact CZ-CB 4.13Å; F610-F638 HydrophobicContact CZ-CD2 4.29Å; F610-F638 HydrophobicContact CZ-CG 4.49Å; A634-F638 PolarHBondContact O-N 3.35Å; N635-F638 PolarHBondContact O-N 2.84Å; F638-I640 VanDerWaalsContact C-N 3.32Å; F638-I640 PolarHBondContact O-N 2.93Å; F638-V641 PolarHBondContact O-N 3.38Å; F638-F642 WeakPolarHBondContact O-CB 3.14Å; F638-F642 PolarHBondContact O-N 2.86Å
639	F	72.6	Confident	72.7	Confident	120 Å²	120	52.8 Å²	52.8	53%	0.526	27%	0.265	S	S	.	.	H	α-helix	trans	-65.9	-33.2	-179.7	-72	-68.9	0	0	0	113.5	N635 F637 S643 L687	N635-F639 VanDerWaalsContact O-CD2 3.24Å; N635-F639 WeakPolarHBondContact O-CD2 3.49Å; F637-F639 PolarHBondContact O-N 2.9Å; F639-S643 WeakPolarHBondContact O-CB 3.12Å; F639-S643 PolarHBondContact O-N 3.41Å; F639-S643 PolarHBondContact O-OG 3.31Å; F639-S643 VanDerWaalsContact O-OG 3.11Å; F639-L687 HydrophobicContact CB-CD2 4.34Å
640	I	71.8	Confident	73.7	Confident	6 Å²	6	46.5 Å²	46.5	3%	0.031	25%	0.246	C	C	.	.	H	α-helix	trans	-66.5	-44.8	177	-65.5	159.6	0	0	0	110.5	L510 R636 F637 F638 S643 D644 L687 Y688	L510-I640 HydrophobicContact CD2-CG2 4.22Å; R636-I640 WeakPolarHBondContact O-CD1 3.48Å; F637-I640 HydrophobicContact CD1-CD1 4.26Å; F637-I640 PolarHBondContact O-N 3.27Å; F638-I640 VanDerWaalsContact C-N 3.32Å; F638-I640 PolarHBondContact O-N 2.93Å; I640-S643 PolarHBondContact O-OG 3.03Å; I640-D644 PolarHBondContact O-N 2.8Å; I640-L687 HydrophobicContact CG1-CB 3.78Å; I640-L687 HydrophobicContact CG1-CD1 4.42Å; I640-Y688 HydrophobicContact CD1-CD1 3.89Å; I640-Y688 HydrophobicContact CD1-CE1 3.73Å; I640-Y688 HydrophobicContact CG1-CE1 4.28Å; I640-Y688 HydrophobicContact CG2-CE1 4.15Å
641	V	71.5	Confident	74.7	Confident	22 Å²	22	43.9 Å²	43.9	13%	0.133	23%	0.232	C	C	.	.	H	α-helix	trans	-75.2	-35	-179.6	166.2	0	0	0	0	112.4	T514 I602 Y606 F637 F638 D644 A645	T514-V641 HydrophobicContact CG2-CG2 3.96Å; I602-V641 HydrophobicContact CG2-CB 4.24Å; I602-V641 HydrophobicContact CG2-CG1 3.31Å; I602-V641 HydrophobicContact CG2-CG2 3.94Å; Y606-V641 HydrophobicContact CD2-CB 4.26Å; Y606-V641 HydrophobicContact CD2-CG1 3.91Å; Y606-V641 HydrophobicContact CD2-CG2 3.99Å; Y606-V641 HydrophobicContact CE1-CG2 4.49Å; Y606-V641 HydrophobicContact CE2-CB 3.85Å; Y606-V641 HydrophobicContact CE2-CG1 3.94Å; Y606-V641 HydrophobicContact CE2-CG2 3.13Å; Y606-V641 VanDerWaalsContact CZ-CG2 3.44Å; Y606-V641 WeakPolarHBondContact OH-CG2 3.3Å; F637-V641 PolarHBondContact O-N 3.37Å; F637-V641 VanDerWaalsContact O-N 3.14Å; F638-V641 PolarHBondContact O-N 3.38Å; V641-D644 PolarHBondContact O-N 2.97Å; V641-A645 VanDerWaalsContact O-CB 3.29Å; V641-A645 WeakPolarHBondContact O-CB 3.46Å; V641-A645 PolarHBondContact O-N 3.49Å
642	F	79.8	Confident	75.7	Confident	105 Å²	105	42.4 Å²	42.4	46%	0.461	22%	0.221	S	C	.	.	H	α-helix	trans	-64.3	-42	174.8	-177.5	-105.8	0	0	0	111.9	F638 A645 L646	F638-F642 WeakPolarHBondContact O-CB 3.14Å; F638-F642 PolarHBondContact O-N 2.86Å; F642-A645 PolarHBondContact O-N 3.27Å; F642-L646 HydrophobicContact CD1-CD1 3.98Å; F642-L646 HydrophobicContact CE1-CD1 3.44Å; F642-L646 VanDerWaalsContact CE1-CD1 3.44Å; F642-L646 HydrophobicContact CE1-CG 4.23Å; F642-L646 HydrophobicContact CE2-CD1 4.45Å; F642-L646 HydrophobicContact CE2-CG 4.45Å; F642-L646 HydrophobicContact CZ-CD1 3.71Å; F642-L646 HydrophobicContact CZ-CD2 4.34Å; F642-L646 HydrophobicContact CZ-CG 4.16Å; F642-L646 WeakPolarHBondContact O-CG 3.4Å; F642-L646 PolarHBondContact O-N 3.36Å; F642-L646 VanDerWaalsContact O-N 3.1Å
643	S	79.8	Confident	76.7	Confident	15 Å²	15	44.2 Å²	44.2	11%	0.105	22%	0.222	C	C	.	.	H	α-helix	trans	-65.1	-40.4	176.2	56.3	0	0	0	0	112.5	F639 I640 L646 C647 L687	F639-S643 WeakPolarHBondContact O-CB 3.12Å; F639-S643 PolarHBondContact O-N 3.41Å; F639-S643 PolarHBondContact O-OG 3.31Å; F639-S643 VanDerWaalsContact O-OG 3.11Å; I640-S643 PolarHBondContact O-OG 3.03Å; S643-L646 PolarHBondContact O-N 3.31Å; S643-C647 PolarHBondContact O-N 3.14Å; S643-C647 PolarHBondContact O-SG 3.28Å; S643-L687 WeakPolarHBondContact OG-CD1 3.34Å
644	D	74.4	Confident	77.5	Confident	6 Å²	6	42.3 Å²	42.3	3%	0.032	21%	0.21	C	C	.	.	H	α-helix	trans	-65.1	-45.3	176.7	-174.5	56	0	0	0	110.8	L510 I640 V641 L646 C647 W648 N680	L510-D644 HydrophobicContact CD1-CB 4.45Å; I640-D644 PolarHBondContact O-N 2.8Å; V641-D644 PolarHBondContact O-N 2.97Å; D644-L646 VanDerWaalsContact C-N 3.32Å; D644-L646 PolarHBondContact O-N 3.3Å; D644-C647 PolarHBondContact O-N 3.14Å; D644-W648 PolarHBondContact O-N 3.18Å; D644-W648 VanDerWaalsContact O-N 3.14Å; D644-W648 PolarHBondContact OD1-NE1 2.71Å; D644-N680 VanDerWaalsContact OD1-CG 3.25Å; D644-N680 PolarHBondContact OD1-ND2 3.19Å; D644-N680 PolarHBondContact OD1-OD1 3.43Å
645	A	80.2	Confident	78.4	Confident	15 Å²	15	42.5 Å²	42.5	12%	0.124	21%	0.211	C	C	.	.	H	α-helix	trans	-53.8	-46.4	175.4	0	0	0	0	0	112.7	F599 V641 F642 C647 W648 I649	F599-A645 HydrophobicContact CE2-CB 3.52Å; F599-A645 HydrophobicContact CZ-CB 4.13Å; V641-A645 VanDerWaalsContact O-CB 3.29Å; V641-A645 WeakPolarHBondContact O-CB 3.46Å; V641-A645 PolarHBondContact O-N 3.49Å; F642-A645 PolarHBondContact O-N 3.27Å; A645-C647 VanDerWaalsContact C-N 3.27Å; A645-C647 PolarHBondContact O-N 3.26Å; A645-W648 PolarHBondContact O-N 3.3Å; A645-I649 WeakPolarHBondContact O-CG1 3.27Å; A645-I649 PolarHBondContact O-N 2.71Å
646	L	83	Confident	79.2	Confident	90 Å²	90	42.6 Å²	42.6	47%	0.471	21%	0.211	S	C	.	.	H	α-helix	trans	-64.5	-30.7	179.1	-72.6	178.5	0	0	0	112.9	F642 S643 D644 I649 P650	F642-L646 HydrophobicContact CD1-CD1 3.98Å; F642-L646 HydrophobicContact CE1-CD1 3.44Å; F642-L646 VanDerWaalsContact CE1-CD1 3.44Å; F642-L646 HydrophobicContact CE1-CG 4.23Å; F642-L646 HydrophobicContact CE2-CD1 4.45Å; F642-L646 HydrophobicContact CE2-CG 4.45Å; F642-L646 HydrophobicContact CZ-CD1 3.71Å; F642-L646 HydrophobicContact CZ-CD2 4.34Å; F642-L646 HydrophobicContact CZ-CG 4.16Å; F642-L646 WeakPolarHBondContact O-CG 3.4Å; F642-L646 PolarHBondContact O-N 3.36Å; F642-L646 VanDerWaalsContact O-N 3.1Å; S643-L646 PolarHBondContact O-N 3.31Å; D644-L646 VanDerWaalsContact C-N 3.32Å; D644-L646 PolarHBondContact O-N 3.3Å; L646-I649 HydrophobicContact CD2-CD1 4.46Å; L646-P650 VanDerWaalsContact O-CD 3.27Å; L646-P650 WeakPolarHBondContact O-CD 3.47Å
647	C	82.7	Confident	79.8	Confident	11 Å²	11	43.6 Å²	43.6	7%	0.074	22%	0.22	C	C	.	.	H	α-helix	trans	-76.7	-30	178.3	-62.1	0	0	0	0	112.6	S643 D644 A645 I676 N680	S643-C647 PolarHBondContact O-N 3.14Å; S643-C647 PolarHBondContact O-SG 3.28Å; D644-C647 PolarHBondContact O-N 3.14Å; A645-C647 VanDerWaalsContact C-N 3.27Å; A645-C647 PolarHBondContact O-N 3.26Å; C647-I676 HydrophobicContact CB-CG2 4.47Å; C647-I676 WeakPolarHBondContact O-CG2 3.24Å; C647-N680 HydrophobicContact CB-CB 4.31Å
648	W	83.5	Confident	80.3	Confident	13 Å²	13	43.2 Å²	43.2	5%	0.049	22%	0.219	C	C	.	.	H	α-helix	trans	-85	-26.9	-178.8	-75	105.9	0	0	0	114.6	V507 F591 N595 D644 A645 I651 F652	V507-W648 HydrophobicContact CG2-CH2 3.97Å; V507-W648 HydrophobicContact CG2-CZ2 3.14Å; F591-W648 HydrophobicContact CD1-CZ3 4.33Å; N595-W648 HydrophobicContact CB-CE3 4.34Å; N595-W648 HydrophobicContact CB-CZ3 4.22Å; N595-W648 VanDerWaalsContact ND2-CH2 3.27Å; N595-W648 WeakPolarHBondContact ND2-CH2 3.3Å; N595-W648 WeakPolarHBondContact ND2-CZ3 3.34Å; D644-W648 PolarHBondContact O-N 3.18Å; D644-W648 VanDerWaalsContact O-N 3.14Å; D644-W648 PolarHBondContact OD1-NE1 2.71Å; A645-W648 PolarHBondContact O-N 3.3Å; W648-I651 HydrophobicContact CD2-CD1 4.18Å; W648-I651 HydrophobicContact CE3-CB 4.13Å; W648-I651 HydrophobicContact CE3-CD1 3.55Å; W648-I651 HydrophobicContact CE3-CG1 4.42Å; W648-I651 HydrophobicContact CE3-CG2 4.12Å; W648-I651 HydrophobicContact CH2-CD1 4.31Å; W648-I651 HydrophobicContact CZ3-CD1 3.63Å; W648-I651 HydrophobicContact CZ3-CG2 4.08Å; W648-I651 WeakPolarHBondContact O-CB 3.29Å; W648-I651 PolarHBondContact O-N 3.17Å; W648-F652 HydrophobicContact CB-CD2 4.32Å; W648-F652 HydrophobicContact CB-CE2 3.72Å; W648-F652 HydrophobicContact CB-CZ 3.97Å; W648-F652 HydrophobicContact CE3-CE1 4.45Å; W648-F652 HydrophobicContact CE3-CZ 4.49Å; W648-F652 WeakPolarHBondContact O-CD2 3.45Å; W648-F652 WeakPolarHBondContact O-CG 3.26Å; W648-F652 PolarHBondContact O-N 2.8Å
649	I	85.1	Confident	80.6	Confident	81 Å²	81	43 Å²	43	42%	0.415	22%	0.222	S	C	.	.	H	α-helix	trans	-52.3	-49.5	178.4	-73.2	162.6	0	0	0	112.5	A645 L646 I651 F652 L653	A645-I649 WeakPolarHBondContact O-CG1 3.27Å; A645-I649 PolarHBondContact O-N 2.71Å; L646-I649 HydrophobicContact CD2-CD1 4.46Å; I649-I651 VanDerWaalsContact C-N 3.29Å; I649-I651 PolarHBondContact O-N 2.75Å; I649-F652 PolarHBondContact O-N 3.3Å; I649-L653 HydrophobicContact CG2-CD1 3.94Å; I649-L653 HydrophobicContact CG2-CG 4.44Å; I649-L653 WeakPolarHBondContact O-CG 3.35Å; I649-L653 PolarHBondContact O-N 2.79Å
650	P	84	Confident	81	Confident	36 Å²	36	43 Å²	43	23%	0.234	23%	0.227	C	C	.	.	H	α-helix	trans	-60.2	-36.9	177.6	-25.6	35.8	0	0	0	113.5	L646 L653 V654 I676	L646-P650 VanDerWaalsContact O-CD 3.27Å; L646-P650 WeakPolarHBondContact O-CD 3.47Å; P650-L653 PolarHBondContact O-N 3.04Å; P650-V654 WeakPolarHBondContact O-CG2 3.36Å; P650-V654 PolarHBondContact O-N 3.29Å; P650-I676 HydrophobicContact CB-CD1 3.89Å; P650-I676 HydrophobicContact CB-CG2 4.49Å; P650-I676 HydrophobicContact CG-CD1 4.02Å; P650-I676 HydrophobicContact CG-CG2 4.23Å
651	I	84.3	Confident	80.8	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-66.6	-44.5	179.9	-62.7	168.2	0	0	0	110.2	L573 W648 I649 V654 K655 V672 L677	L573-I651 HydrophobicContact CD1-CG2 4.1Å; W648-I651 HydrophobicContact CD2-CD1 4.18Å; W648-I651 HydrophobicContact CE3-CB 4.13Å; W648-I651 HydrophobicContact CE3-CD1 3.55Å; W648-I651 HydrophobicContact CE3-CG1 4.42Å; W648-I651 HydrophobicContact CE3-CG2 4.12Å; W648-I651 HydrophobicContact CH2-CD1 4.31Å; W648-I651 HydrophobicContact CZ3-CD1 3.63Å; W648-I651 HydrophobicContact CZ3-CG2 4.08Å; W648-I651 WeakPolarHBondContact O-CB 3.29Å; W648-I651 PolarHBondContact O-N 3.17Å; I649-I651 VanDerWaalsContact C-N 3.29Å; I649-I651 PolarHBondContact O-N 2.75Å; I651-V654 PolarHBondContact O-N 3.08Å; I651-K655 PolarHBondContact O-N 2.82Å; I651-V672 HydrophobicContact CD1-CG1 4.4Å; I651-V672 HydrophobicContact CG1-CG1 3.56Å; I651-L677 HydrophobicContact CD1-CD1 4.09Å
652	F	86.8	Confident	80.9	Confident	21 Å²	21	51 Å²	51	9%	0.092	27%	0.267	C	S	.	.	H	α-helix	trans	-62.9	-43.4	175.4	-60.8	-38.9	0	0	0	111.7	F591 L592 N595 L596 F599 W648 I649 K655 I656	F591-F652 WeakPolarHBondContact O-CE1 3.33Å; L592-F652 HydrophobicContact CD1-CB 4.45Å; L592-F652 HydrophobicContact CD1-CD1 4.04Å; N595-F652 HydrophobicContact CB-CE1 4.08Å; N595-F652 HydrophobicContact CB-CZ 4.34Å; L596-F652 HydrophobicContact CB-CE1 4.36Å; L596-F652 HydrophobicContact CB-CZ 4.47Å; F599-F652 HydrophobicContact CB-CZ 4.5Å; W648-F652 HydrophobicContact CB-CD2 4.32Å; W648-F652 HydrophobicContact CB-CE2 3.72Å; W648-F652 HydrophobicContact CB-CZ 3.97Å; W648-F652 HydrophobicContact CE3-CE1 4.45Å; W648-F652 HydrophobicContact CE3-CZ 4.49Å; W648-F652 WeakPolarHBondContact O-CD2 3.45Å; W648-F652 WeakPolarHBondContact O-CG 3.26Å; W648-F652 PolarHBondContact O-N 2.8Å; I649-F652 PolarHBondContact O-N 3.3Å; F652-K655 PolarHBondContact O-N 2.89Å; F652-I656 WeakPolarHBondContact O-CB 3.43Å; F652-I656 VanDerWaalsContact O-CG1 3.23Å; F652-I656 WeakPolarHBondContact O-CG1 3.47Å; F652-I656 PolarHBondContact O-N 2.87Å
653	L	85.4	Confident	80.1	Confident	97 Å²	97	54.1 Å²	54.1	51%	0.508	28%	0.283	S	S	.	.	H	α-helix	trans	-60.4	-49.3	177.9	-73.9	171.7	0	0	0	111.9	I649 P650 K655 I656 L657	I649-L653 HydrophobicContact CG2-CD1 3.94Å; I649-L653 HydrophobicContact CG2-CG 4.44Å; I649-L653 WeakPolarHBondContact O-CG 3.35Å; I649-L653 PolarHBondContact O-N 2.79Å; P650-L653 PolarHBondContact O-N 3.04Å; L653-K655 VanDerWaalsContact C-N 3.31Å; L653-K655 PolarHBondContact O-N 3.04Å; L653-I656 PolarHBondContact O-N 3.16Å; L653-L657 WeakPolarHBondContact O-CB 3.12Å; L653-L657 VanDerWaalsContact O-CG 3.29Å; L653-L657 WeakPolarHBondContact O-CG 3.39Å; L653-L657 PolarHBondContact O-N 3.08Å
654	V	81.9	Confident	79.4	Confident	11 Å²	11	54.6 Å²	54.6	7%	0.067	28%	0.284	C	S	.	.	H	α-helix	trans	-59.5	-42.9	178.2	170	0	0	0	0	110.9	P650 I651 S658 I664 I668 V672	P650-V654 WeakPolarHBondContact O-CG2 3.36Å; P650-V654 PolarHBondContact O-N 3.29Å; I651-V654 PolarHBondContact O-N 3.08Å; V654-S658 WeakPolarHBondContact O-CB 3.26Å; V654-S658 PolarHBondContact O-N 3.06Å; V654-I664 HydrophobicContact CG1-CD1 3.95Å; V654-I664 VanDerWaalsContact O-CD1 3.25Å; V654-I664 WeakPolarHBondContact O-CD1 3.44Å; V654-I668 HydrophobicContact CG2-CG2 4.26Å; V654-V672 HydrophobicContact CG2-CG2 4.37Å
655	K	82.9	Confident	79.1	Confident	5 Å²	5	57.8 Å²	57.8	2%	0.022	31%	0.305	C	S	.	.	H	α-helix	trans	-71.8	-33.9	179.2	-73.2	-64.1	-176	-176.6	0	113.7	L573 H574 S587 I651 F652 L653 S658 L659	L573-K655 PolarHBondContact O-NZ 2.93Å; L573-K655 VanDerWaalsContact O-NZ 3.15Å; H574-K655 PolarHBondContact O-NZ 2.85Å; H574-K655 VanDerWaalsContact O-NZ 3.08Å; S587-K655 PolarHBondContact OG-NZ 3.38Å; S587-K655 VanDerWaalsContact OG-NZ 3.07Å; I651-K655 PolarHBondContact O-N 2.82Å; F652-K655 PolarHBondContact O-N 2.89Å; L653-K655 VanDerWaalsContact C-N 3.31Å; L653-K655 PolarHBondContact O-N 3.04Å; K655-S658 PolarHBondContact O-N 3.06Å; K655-L659 WeakPolarHBondContact O-CG 3.22Å; K655-L659 PolarHBondContact O-N 2.84Å; K655-L659 VanDerWaalsContact O-N 3.13Å
656	I	84.8	Confident	78.3	Confident	78 Å²	78	60.3 Å²	60.3	40%	0.4	32%	0.317	S	S	.	.	H	α-helix	trans	-66.3	-47	172.9	-70.2	165.2	0	0	0	110.4	L592 F652 L653 S658 L659 L660	L592-I656 HydrophobicContact CD1-CD1 4.49Å; L592-I656 HydrophobicContact CD1-CG1 4.16Å; L592-I656 HydrophobicContact CD2-CG1 4.41Å; F652-I656 WeakPolarHBondContact O-CB 3.43Å; F652-I656 VanDerWaalsContact O-CG1 3.23Å; F652-I656 WeakPolarHBondContact O-CG1 3.47Å; F652-I656 PolarHBondContact O-N 2.87Å; L653-I656 PolarHBondContact O-N 3.16Å; I656-S658 PolarHBondContact O-N 3.17Å; I656-L659 WeakPolarHBondContact O-CB 3.15Å; I656-L659 PolarHBondContact O-N 3.47Å; I656-L660 HydrophobicContact CG2-CD1 4.28Å; I656-L660 PolarHBondContact O-N 2.91Å; I656-L660 VanDerWaalsContact O-N 3.08Å
657	L	81.9	Confident	77.7	Confident	73 Å²	73	58.7 Å²	58.7	38%	0.382	31%	0.311	S	S	.	.	H	α-helix	trans	-59.3	-38.4	176	-71.4	173.1	0	0	0	111.5	L653 L659 L660 E661 V662 I664	L653-L657 WeakPolarHBondContact O-CB 3.12Å; L653-L657 VanDerWaalsContact O-CG 3.29Å; L653-L657 WeakPolarHBondContact O-CG 3.39Å; L653-L657 PolarHBondContact O-N 3.08Å; L657-L659 VanDerWaalsContact C-N 3.29Å; L657-L659 PolarHBondContact O-N 3.45Å; L657-L660 PolarHBondContact O-N 2.95Å; L657-L660 VanDerWaalsContact O-N 3.16Å; L657-E661 PolarHBondContact O-N 3.42Å; L657-V662 PolarHBondContact O-N 3.17Å; L657-I664 HydrophobicContact CB-CD1 3.68Å; L657-I664 HydrophobicContact CB-CG1 4.31Å
658	S	76.5	Confident	77.3	Confident	9 Å²	9	61.9 Å²	61.9	6%	0.063	33%	0.326	C	S	.	.	H	α-helix	trans	-66	-26.5	174.3	-174.2	0	0	0	0	114	S575 V654 K655 I656	S575-S658 WeakPolarHBondContact OG-CB 3.41Å; S575-S658 PolarHBondContact OG-OG 3.18Å; V654-S658 WeakPolarHBondContact O-CB 3.26Å; V654-S658 PolarHBondContact O-N 3.06Å; K655-S658 PolarHBondContact O-N 3.06Å; I656-S658 PolarHBondContact O-N 3.17Å
659	L	78.8	Confident	76.8	Confident	87 Å²	87	61.5 Å²	61.5	46%	0.455	33%	0.325	S	S	.	.	H	α-helix	trans	-79	-27.9	173	-73	173.1	0	0	0	112.2	T588 L592 K655 I656 L657 E661	T588-L659 HydrophobicContact CG2-CD1 4.09Å; T588-L659 HydrophobicContact CG2-CD2 4.23Å; L592-L659 HydrophobicContact CD2-CD1 3.61Å; K655-L659 WeakPolarHBondContact O-CG 3.22Å; K655-L659 PolarHBondContact O-N 2.84Å; K655-L659 VanDerWaalsContact O-N 3.13Å; I656-L659 WeakPolarHBondContact O-CB 3.15Å; I656-L659 PolarHBondContact O-N 3.47Å; L657-L659 VanDerWaalsContact C-N 3.29Å; L657-L659 PolarHBondContact O-N 3.45Å; L659-E661 PolarHBondContact O-N 3.42Å
660	L	81	Confident	76.2	Confident	121 Å²	121	57.8 Å²	57.8	63%	0.634	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	7.5	174.6	-64.3	174.5	0	0	0	113.4	I656 L657 V662	I656-L660 HydrophobicContact CG2-CD1 4.28Å; I656-L660 PolarHBondContact O-N 2.91Å; I656-L660 VanDerWaalsContact O-N 3.08Å; L657-L660 PolarHBondContact O-N 2.95Å; L657-L660 VanDerWaalsContact O-N 3.16Å; L660-V662 HydrophobicContact CB-CG2 4.16Å; L660-V662 PolarHBondContact O-N 3.02Å
661	E	69.1	Low	76.1	Confident	119 Å²	119	60.3 Å²	60.3	56%	0.556	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	27.9	-177.8	-58.2	-167.3	-175.5	0	0	114.8	R577 L657 L659	R577-E661 IonicContact CZ-OE2 3.55Å; R577-E661 IonicContact NE-OE2 2.76Å; R577-E661 IonicContact NH2-OE2 3.07Å; R577-E661 PolarHBondContact NH2-OE2 2.85Å; L657-E661 PolarHBondContact O-N 3.42Å; L659-E661 PolarHBondContact O-N 3.42Å
662	V	73.6	Confident	76.2	Confident	75 Å²	75	60.4 Å²	60.4	46%	0.455	31%	0.312	S	S	.	.			trans	-79.2	132.2	172.8	-178.5	0	0	0	0	108.9	L657 L660 I664	L657-V662 PolarHBondContact O-N 3.17Å; L660-V662 HydrophobicContact CB-CG2 4.16Å; L660-V662 PolarHBondContact O-N 3.02Å; V662-I664 PolarHBondContact O-N 3.43Å
663	E	62.7	Low	76.1	Confident	172 Å²	172	59.5 Å²	59.5	80%	0.804	31%	0.309	S	S	*	.			trans	-67.2	114.1	175.2	-68.1	-175.8	172.5	0	0	110.1
664	I	65.6	Low	76	Confident	24 Å²	24	54.9 Å²	54.9	12%	0.123	29%	0.285	C	S	.	.			trans	-102.6	124.2	177.4	-53.4	177.8	0	0	0	108.1	V654 L657 V662 D666 I668	V654-I664 HydrophobicContact CG1-CD1 3.95Å; V654-I664 VanDerWaalsContact O-CD1 3.25Å; V654-I664 WeakPolarHBondContact O-CD1 3.44Å; L657-I664 HydrophobicContact CB-CD1 3.68Å; L657-I664 HydrophobicContact CB-CG1 4.31Å; V662-I664 PolarHBondContact O-N 3.43Å; I664-D666 PolarHBondContact O-N 3.18Å; I664-I668 HydrophobicContact CG2-CB 4.26Å; I664-I668 HydrophobicContact CG2-CD1 4.4Å
665	P	66.9	Low	76.1	Confident	73 Å²	73	58.1 Å²	58.1	47%	0.474	30%	0.298	S	S	.	.			trans	-56.5	129.6	172.7	-25.1	33.8	0	0	0	111.6	T667 I668	P665-T667 WeakPolarHBondContact CB-OG1 3.42Å; P665-T667 PolarHBondContact O-N 2.93Å; P665-I668 HydrophobicContact CB-CG1 4.47Å; P665-I668 HydrophobicContact CG-CD1 4.38Å; P665-I668 PolarHBondContact O-N 3.15Å
666	D	64.4	Low	76.3	Confident	69 Å²	69	59.8 Å²	59.8	37%	0.369	31%	0.307	S	S	.	.	H	α-helix	trans	-58.4	-21.1	178.1	-75.9	-39.5	0	0	0	113.3	D401 I403 I664 I668 S669 S670	D401-D666 WeakPolarHBondContact O-CB 3.49Å; I403-D666 HydrophobicContact CD1-CB 4.04Å; I403-D666 WeakPolarHBondContact CD1-O 3.5Å; I403-D666 HydrophobicContact CG1-CB 4.4Å; I403-D666 WeakPolarHBondContact CG1-O 3.22Å; I664-D666 PolarHBondContact O-N 3.18Å; D666-I668 VanDerWaalsContact C-N 3.34Å; D666-I668 PolarHBondContact O-N 2.84Å; D666-S669 PolarHBondContact O-N 3.34Å; D666-S670 PolarHBondContact O-N 3.19Å; D666-S670 PolarHBondContact O-OG 3.01Å
667	T	68.9	Low	76.3	Confident	55 Å²	55	56.6 Å²	56.6	34%	0.337	29%	0.29	S	S	.	.	H	α-helix	trans	-53.2	-49	169.2	60.3	0	0	0	0	111.3	G402 P665 S670 W671	G402-T667 VanDerWaalsContact CA-CG2 3.5Å; G402-T667 VanDerWaalsContact O-CG2 3.26Å; G402-T667 WeakPolarHBondContact O-CG2 3.41Å; P665-T667 WeakPolarHBondContact CB-OG1 3.42Å; P665-T667 PolarHBondContact O-N 2.93Å; T667-S670 PolarHBondContact O-N 3.3Å; T667-W671 PolarHBondContact O-N 2.95Å; T667-W671 VanDerWaalsContact O-N 3.09Å
668	I	76.2	Confident	76.7	Confident	79 Å²	79	53.1 Å²	53.1	41%	0.405	27%	0.272	S	S	.	.	H	α-helix	trans	-66.2	-46.5	-175.1	-61.3	180	0	0	0	110	V654 I664 P665 D666 S670 W671 V672	V654-I668 HydrophobicContact CG2-CG2 4.26Å; I664-I668 HydrophobicContact CG2-CB 4.26Å; I664-I668 HydrophobicContact CG2-CD1 4.4Å; P665-I668 HydrophobicContact CB-CG1 4.47Å; P665-I668 HydrophobicContact CG-CD1 4.38Å; P665-I668 PolarHBondContact O-N 3.15Å; D666-I668 VanDerWaalsContact C-N 3.34Å; D666-I668 PolarHBondContact O-N 2.84Å; I668-S670 PolarHBondContact O-N 2.82Å; I668-W671 PolarHBondContact O-N 2.97Å; I668-V672 VanDerWaalsContact O-CG2 3.32Å; I668-V672 WeakPolarHBondContact O-CG2 3.47Å; I668-V672 PolarHBondContact O-N 3.41Å
669	S	72.7	Confident	77.3	Confident	4 Å²	4	54.6 Å²	54.6	3%	0.028	28%	0.279	C	S	.	.	H	α-helix	trans	-55.5	-37	177.9	-60.1	0	0	0	0	111.6	D666 V672 V673	D666-S669 PolarHBondContact O-N 3.34Å; S669-V672 PolarHBondContact O-N 3.19Å; S669-V673 WeakPolarHBondContact O-CG2 3.08Å; S669-V673 PolarHBondContact O-N 3.42Å; S669-V673 VanDerWaalsContact O-N 3.16Å
670	S	72.2	Confident	77.5	Confident	4 Å²	4	50.9 Å²	50.9	3%	0.028	26%	0.26	C	S	.	.	H	α-helix	trans	-78.4	-35.7	178.6	-70.6	0	0	0	0	114.7	I403 D666 T667 I668 V672 V673 I674	I403-S670 WeakPolarHBondContact CD1-OG 3.34Å; I403-S670 WeakPolarHBondContact CG1-OG 3.43Å; I403-S670 WeakPolarHBondContact CG2-OG 3.25Å; D666-S670 PolarHBondContact O-N 3.19Å; D666-S670 PolarHBondContact O-OG 3.01Å; T667-S670 PolarHBondContact O-N 3.3Å; I668-S670 PolarHBondContact O-N 2.82Å; S670-V672 PolarHBondContact O-N 2.82Å; S670-V673 PolarHBondContact O-N 3.29Å; S670-I674 WeakPolarHBondContact O-CB 3.21Å; S670-I674 PolarHBondContact O-N 3.24Å
671	W	82.4	Confident	77.8	Confident	88 Å²	88	45.4 Å²	45.4	33%	0.333	23%	0.231	S	C	.	.	H	α-helix	trans	-58.7	-39.2	169.3	-82.2	101.5	0	0	0	111.1	V414 L415 T667 I668 F675 I676	V414-W671 HydrophobicContact CB-CH2 4.13Å; V414-W671 HydrophobicContact CG1-CH2 3.81Å; V414-W671 HydrophobicContact CG1-CZ3 4.39Å; L415-W671 HydrophobicContact CD1-CZ2 4.33Å; L415-W671 HydrophobicContact CD2-CD2 3.66Å; L415-W671 HydrophobicContact CD2-CE3 3.57Å; L415-W671 HydrophobicContact CD2-CG 4.35Å; L415-W671 HydrophobicContact CD2-CH2 3.92Å; L415-W671 HydrophobicContact CD2-CZ2 3.99Å; L415-W671 HydrophobicContact CD2-CZ3 3.71Å; L415-W671 HydrophobicContact CG-CD2 4.33Å; L415-W671 HydrophobicContact CG-CE3 4.48Å; L415-W671 HydrophobicContact CG-CH2 4.04Å; L415-W671 HydrophobicContact CG-CZ2 3.86Å; L415-W671 HydrophobicContact CG-CZ3 4.34Å; T667-W671 PolarHBondContact O-N 2.95Å; T667-W671 VanDerWaalsContact O-N 3.09Å; I668-W671 PolarHBondContact O-N 2.97Å; W671-F675 HydrophobicContact CE3-CB 4.2Å; W671-F675 HydrophobicContact CE3-CG 4.5Å; W671-F675 WeakPolarHBondContact O-CA 3.47Å; W671-F675 WeakPolarHBondContact O-CB 3.32Å; W671-F675 PolarHBondContact O-N 3.43Å; W671-I676 PolarHBondContact O-N 3.48Å
672	V	84.7	Confident	78.8	Confident	4 Å²	4	40 Å²	40	2%	0.024	21%	0.207	C	C	.	.	I	π-helix	trans	-62.4	-47.4	175.7	177.3	0	0	0	0	111	L573 I651 V654 I668 S669 S670 I676 L677	L573-V672 HydrophobicContact CD2-CB 4Å; L573-V672 HydrophobicContact CD2-CG1 3.59Å; I651-V672 HydrophobicContact CD1-CG1 4.4Å; I651-V672 HydrophobicContact CG1-CG1 3.56Å; V654-V672 HydrophobicContact CG2-CG2 4.37Å; I668-V672 VanDerWaalsContact O-CG2 3.32Å; I668-V672 WeakPolarHBondContact O-CG2 3.47Å; I668-V672 PolarHBondContact O-N 3.41Å; S669-V672 PolarHBondContact O-N 3.19Å; S670-V672 PolarHBondContact O-N 2.82Å; V672-I676 HydrophobicContact CG1-CB 4.43Å; V672-I676 HydrophobicContact CG2-CD1 4.04Å; V672-I676 WeakPolarHBondContact O-CB 3.47Å; V672-I676 PolarHBondContact O-N 3.41Å; V672-I676 VanDerWaalsContact O-N 3.14Å; V672-L677 WeakPolarHBondContact O-CB 3.32Å; V672-L677 PolarHBondContact O-N 2.94Å
673	V	84.8	Confident	79.4	Confident	3 Å²	3	39.6 Å²	39.6	2%	0.018	20%	0.202	C	C	.	.	I	π-helix	trans	-70.3	-41.9	-177.3	172.9	0	0	0	0	113.2	Y464 V569 F571 L573 S669 S670 P678	Y464-V673 WeakPolarHBondContact OH-CG1 3.21Å; V569-V673 HydrophobicContact CG1-CG1 3.74Å; F571-V673 HydrophobicContact CB-CG1 3.66Å; F571-V673 HydrophobicContact CB-CG2 4.22Å; F571-V673 HydrophobicContact CD1-CB 4.39Å; F571-V673 HydrophobicContact CD1-CG1 4.03Å; F571-V673 HydrophobicContact CD1-CG2 3.41Å; F571-V673 VanDerWaalsContact CD1-CG2 3.41Å; F571-V673 HydrophobicContact CD2-CG1 4.34Å; F571-V673 HydrophobicContact CE1-CG2 4.04Å; F571-V673 HydrophobicContact CG-CG1 3.74Å; F571-V673 HydrophobicContact CG-CG2 4Å; L573-V673 HydrophobicContact CB-CG2 3.99Å; L573-V673 HydrophobicContact CD2-CG2 3.85Å; S669-V673 WeakPolarHBondContact O-CG2 3.08Å; S669-V673 PolarHBondContact O-N 3.42Å; S669-V673 VanDerWaalsContact O-N 3.16Å; S670-V673 PolarHBondContact O-N 3.29Å; V673-P678 VanDerWaalsContact O-CD 3.26Å; V673-P678 WeakPolarHBondContact O-CD 3.19Å
674	I	84	Confident	80.3	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.164	C	C	.	.	I	π-helix	trans	-84.3	-33	-173.6	-69.1	172.1	0	0	0	111.9	L410 L415 V419 V569 S670	L410-I674 HydrophobicContact CD2-CD1 3.4Å; L415-I674 HydrophobicContact CD2-CB 4.24Å; L415-I674 HydrophobicContact CD2-CD1 4.44Å; L415-I674 HydrophobicContact CD2-CG2 3.92Å; V419-I674 HydrophobicContact CG2-CG2 3.39Å; V569-I674 HydrophobicContact CG1-CD1 4.43Å; V569-I674 HydrophobicContact CG1-CG1 4.13Å; V569-I674 HydrophobicContact CG2-CD1 4.07Å; S670-I674 WeakPolarHBondContact O-CB 3.21Å; S670-I674 PolarHBondContact O-N 3.24Å
675	F	84.1	Confident	81	Confident	78 Å²	78	30.5 Å²	30.5	34%	0.342	16%	0.159	S	C	.	.	I	π-helix	trans	-111.5	-56.2	-172.2	-164.8	-105	0	0	0	112.2	W671 I679	W671-F675 HydrophobicContact CE3-CB 4.2Å; W671-F675 HydrophobicContact CE3-CG 4.5Å; W671-F675 WeakPolarHBondContact O-CA 3.47Å; W671-F675 WeakPolarHBondContact O-CB 3.32Å; W671-F675 PolarHBondContact O-N 3.43Å; F675-I679 HydrophobicContact CD1-CD1 3.69Å; F675-I679 HydrophobicContact CE1-CD1 3.58Å; F675-I679 HydrophobicContact CG-CD1 4.3Å; F675-I679 HydrophobicContact CZ-CD1 4.09Å; F675-I679 VanDerWaalsContact O-CD1 3.27Å; F675-I679 WeakPolarHBondContact O-CD1 3.49Å; F675-I679 WeakPolarHBondContact O-CG1 3.46Å; F675-I679 PolarHBondContact O-N 3.36Å
676	I	86.6	Confident	81.4	Confident	41 Å²	41	31 Å²	31	21%	0.21	16%	0.157	C	C	.	.	I	π-helix	trans	-72.2	-47.7	-170.3	-58.3	-177.8	0	0	0	112.1	C647 P650 W671 V672 I679	C647-I676 HydrophobicContact CB-CG2 4.47Å; C647-I676 WeakPolarHBondContact O-CG2 3.24Å; P650-I676 HydrophobicContact CB-CD1 3.89Å; P650-I676 HydrophobicContact CB-CG2 4.49Å; P650-I676 HydrophobicContact CG-CD1 4.02Å; P650-I676 HydrophobicContact CG-CG2 4.23Å; W671-I676 PolarHBondContact O-N 3.48Å; V672-I676 HydrophobicContact CG1-CB 4.43Å; V672-I676 HydrophobicContact CG2-CD1 4.04Å; V672-I676 WeakPolarHBondContact O-CB 3.47Å; V672-I676 PolarHBondContact O-N 3.41Å; V672-I676 VanDerWaalsContact O-N 3.14Å; I676-I679 WeakPolarHBondContact O-CB 3.37Å; I676-I679 PolarHBondContact O-N 2.88Å
677	L	85.3	Confident	81.9	Confident	11 Å²	11	29.2 Å²	29.2	6%	0.058	15%	0.148	C	C	.	.	H	α-helix	trans	-64.3	-41.3	-175.6	-170	146.1	0	0	0	112.4	M461 F571 I651 V672 I679	M461-L677 HydrophobicContact CE-CD2 3.21Å; M461-L677 HydrophobicContact SD-CD2 3.75Å; F571-L677 HydrophobicContact CE1-CD1 4.08Å; F571-L677 HydrophobicContact CE2-CD1 4.43Å; F571-L677 HydrophobicContact CZ-CD1 3.64Å; I651-L677 HydrophobicContact CD1-CD1 4.09Å; V672-L677 WeakPolarHBondContact O-CB 3.32Å; V672-L677 PolarHBondContact O-N 2.94Å; L677-I679 PolarHBondContact O-N 3.08Å
678	P	89.6	Confident	82	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-74.7	-17.2	175.7	-22.4	36.8	0	0	0	115.7	M422 M461 L465 V673 N680 S681 A682	M422-P678 HydrophobicContact CB-CB 4.48Å; M422-P678 VanDerWaalsContact CE-C 3.49Å; M422-P678 HydrophobicContact CE-CB 3.94Å; M422-P678 WeakPolarHBondContact CE-O 3.07Å; M461-P678 HydrophobicContact CG-CB 4.19Å; M461-P678 HydrophobicContact CG-CG 4.33Å; M461-P678 HydrophobicContact SD-CG 4.29Å; L465-P678 HydrophobicContact CD1-CB 3.64Å; L465-P678 HydrophobicContact CD1-CG 3.7Å; L465-P678 HydrophobicContact CD2-CG 4.07Å; L465-P678 HydrophobicContact CG-CG 4.27Å; V673-P678 VanDerWaalsContact O-CD 3.26Å; V673-P678 WeakPolarHBondContact O-CD 3.19Å; P678-N680 PolarHBondContact O-N 3.31Å; P678-S681 PolarHBondContact O-N 3Å; P678-A682 WeakPolarHBondContact O-CB 3.22Å; P678-A682 PolarHBondContact O-N 3.34Å
679	I	88.8	Confident	81.6	Confident	40 Å²	40	25 Å²	25	21%	0.205	12%	0.124	C	C	.	.	H	α-helix	trans	-58.2	-38.5	177.4	-81.5	164.1	0	0	0	111	M422 F675 I676 L677 A682 L683	M422-I679 HydrophobicContact CE-CB 4.3Å; M422-I679 HydrophobicContact CE-CG1 3.71Å; F675-I679 HydrophobicContact CD1-CD1 3.69Å; F675-I679 HydrophobicContact CE1-CD1 3.58Å; F675-I679 HydrophobicContact CG-CD1 4.3Å; F675-I679 HydrophobicContact CZ-CD1 4.09Å; F675-I679 VanDerWaalsContact O-CD1 3.27Å; F675-I679 WeakPolarHBondContact O-CD1 3.49Å; F675-I679 WeakPolarHBondContact O-CG1 3.46Å; F675-I679 PolarHBondContact O-N 3.36Å; I676-I679 WeakPolarHBondContact O-CB 3.37Å; I676-I679 PolarHBondContact O-N 2.88Å; L677-I679 PolarHBondContact O-N 3.08Å; I679-A682 PolarHBondContact O-N 3.05Å; I679-L683 HydrophobicContact CG2-CD1 3.53Å; I679-L683 HydrophobicContact CG2-CG 4.03Å; I679-L683 WeakPolarHBondContact O-CB 3.43Å; I679-L683 WeakPolarHBondContact O-CG 3.35Å; I679-L683 PolarHBondContact O-N 3.04Å
680	N	83.4	Confident	81.1	Confident	9 Å²	9	29.8 Å²	29.8	5%	0.048	15%	0.149	C	C	.	.	H	α-helix	trans	-57.3	-55.6	177.6	-169.4	25.7	0	0	0	111.4	D644 C647 P678 A682 L683 N684	D644-N680 VanDerWaalsContact OD1-CG 3.25Å; D644-N680 PolarHBondContact OD1-ND2 3.19Å; D644-N680 PolarHBondContact OD1-OD1 3.43Å; C647-N680 HydrophobicContact CB-CB 4.31Å; P678-N680 PolarHBondContact O-N 3.31Å; N680-A682 PolarHBondContact O-N 3.42Å; N680-L683 PolarHBondContact O-N 3.12Å; N680-N684 WeakPolarHBondContact O-CB 3.3Å; N680-N684 PolarHBondContact O-N 2.98Å; N680-N684 PolarHBondContact O-ND2 3.09Å; N680-N684 PolarHBondContact O-OD1 3.03Å
681	S	88.6	Confident	80.5	Confident	5 Å²	5	31.4 Å²	31.4	4%	0.035	16%	0.159	C	C	.	.	H	α-helix	trans	-63.9	-24.2	178.3	-58.6	0	0	0	0	113.8	N430 D458 P678 P685	N430-S681 PolarHBondContact ND2-O 2.95Å; D458-S681 WeakPolarHBondContact OD1-CA 3.25Å; D458-S681 WeakPolarHBondContact OD1-CB 3.33Å; D458-S681 PolarHBondContact OD1-OG 3Å; P678-S681 PolarHBondContact O-N 3Å; S681-P685 VanDerWaalsContact O-CD 3.25Å; S681-P685 WeakPolarHBondContact O-CD 3.47Å
682	A	89.1	Confident	79.5	Confident	6 Å²	6	28.6 Å²	28.6	5%	0.05	15%	0.152	C	C	.	.	H	α-helix	trans	-80.9	-38.2	177.5	0	0	0	0	0	112.8	M422 I425 T426 P678 I679 N680	M422-A682 HydrophobicContact CE-CB 3.53Å; I425-A682 HydrophobicContact CG2-CB 3.88Å; T426-A682 HydrophobicContact CG2-CB 3.72Å; P678-A682 WeakPolarHBondContact O-CB 3.22Å; P678-A682 PolarHBondContact O-N 3.34Å; I679-A682 PolarHBondContact O-N 3.05Å; N680-A682 PolarHBondContact O-N 3.42Å
683	L	86.3	Confident	78.1	Confident	66 Å²	66	32.2 Å²	32.2	35%	0.346	18%	0.177	S	C	.	.	H	α-helix	trans	-80.5	-30.9	-179.5	-69	178.7	0	0	0	112.4	I679 N680 I686 L687	I679-L683 HydrophobicContact CG2-CD1 3.53Å; I679-L683 HydrophobicContact CG2-CG 4.03Å; I679-L683 WeakPolarHBondContact O-CB 3.43Å; I679-L683 WeakPolarHBondContact O-CG 3.35Å; I679-L683 PolarHBondContact O-N 3.04Å; N680-L683 PolarHBondContact O-N 3.12Å; L683-I686 HydrophobicContact CD2-CD1 4.46Å; L683-I686 WeakPolarHBondContact O-CB 3.39Å; L683-I686 PolarHBondContact O-N 3.47Å; L683-L687 HydrophobicContact CB-CD1 4.14Å; L683-L687 WeakPolarHBondContact O-CG 3.43Å; L683-L687 PolarHBondContact O-N 3.31Å
684	N	81.6	Confident	76.6	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-46	-53.3	178.9	-84.8	-10.4	0	0	0	113.3	D458 N680 I686 L687 Y688	D458-N684 PolarHBondContact OD2-ND2 3.04Å; N680-N684 WeakPolarHBondContact O-CB 3.3Å; N680-N684 PolarHBondContact O-N 2.98Å; N680-N684 PolarHBondContact O-ND2 3.09Å; N680-N684 PolarHBondContact O-OD1 3.03Å; N684-I686 PolarHBondContact O-N 3.17Å; N684-L687 PolarHBondContact O-N 2.85Å; N684-Y688 VanDerWaalsContact C-CD2 3.49Å; N684-Y688 HydrophobicContact CB-CD2 4.33Å; N684-Y688 HydrophobicContact CB-CE2 3.67Å; N684-Y688 WeakPolarHBondContact O-CD2 3.49Å; N684-Y688 WeakPolarHBondContact O-CE2 3.41Å; N684-Y688 VanDerWaalsContact O-CG 3.23Å; N684-Y688 PolarHBondContact O-N 3.01Å
685	P	80.4	Confident	75.2	Confident	5 Å²	5	40.2 Å²	40.2	3%	0.032	21%	0.212	C	C	.	.	H	α-helix	trans	-53.6	-45.6	174.6	-30.5	35.5	0	0	0	114.9	N430 V433 S681 L687 Y688 T689	N430-P685 HydrophobicContact CB-CG 4.29Å; N430-P685 VanDerWaalsContact CG-CG 3.41Å; N430-P685 WeakPolarHBondContact ND2-CG 3.35Å; N430-P685 VanDerWaalsContact OD1-CG 3.3Å; N430-P685 WeakPolarHBondContact OD1-CG 3.45Å; V433-P685 HydrophobicContact CG2-CB 3.75Å; S681-P685 VanDerWaalsContact O-CD 3.25Å; S681-P685 WeakPolarHBondContact O-CD 3.47Å; P685-L687 VanDerWaalsContact C-N 3.35Å; P685-Y688 PolarHBondContact O-N 3.5Å; P685-T689 VanDerWaalsContact O-CB 3.29Å; P685-T689 WeakPolarHBondContact O-CB 3.45Å; P685-T689 PolarHBondContact O-N 2.83Å; P685-T689 PolarHBondContact O-OG1 3.35Å
686	I	76.1	Confident	73.9	Confident	83 Å²	83	43.8 Å²	43.8	43%	0.426	22%	0.223	S	C	.	.	H	α-helix	trans	-64	-46.6	-178.5	-63.1	173	0	0	0	108.8	L683 N684 Y688 T689 L690	L683-I686 HydrophobicContact CD2-CD1 4.46Å; L683-I686 WeakPolarHBondContact O-CB 3.39Å; L683-I686 PolarHBondContact O-N 3.47Å; N684-I686 PolarHBondContact O-N 3.17Å; I686-Y688 PolarHBondContact O-N 2.73Å; I686-T689 PolarHBondContact O-N 2.97Å; I686-L690 HydrophobicContact CG2-CD1 3.43Å; I686-L690 VanDerWaalsContact CG2-CD1 3.43Å; I686-L690 HydrophobicContact CG2-CG 3.98Å; I686-L690 WeakPolarHBondContact O-CB 3.33Å; I686-L690 WeakPolarHBondContact O-CG 3.42Å; I686-L690 PolarHBondContact O-N 3.1Å
687	L	74.6	Confident	72.6	Confident	33 Å²	33	47 Å²	47	17%	0.173	24%	0.238	C	C	.	.	H	α-helix	trans	-66.2	-37.8	179.4	-64.5	168.7	0	0	0	111.6	F639 I640 S643 L683 N684 P685 T689 T691	F639-L687 HydrophobicContact CB-CD2 4.34Å; I640-L687 HydrophobicContact CG1-CB 3.78Å; I640-L687 HydrophobicContact CG1-CD1 4.42Å; S643-L687 WeakPolarHBondContact OG-CD1 3.34Å; L683-L687 HydrophobicContact CB-CD1 4.14Å; L683-L687 WeakPolarHBondContact O-CG 3.43Å; L683-L687 PolarHBondContact O-N 3.31Å; N684-L687 PolarHBondContact O-N 2.85Å; P685-L687 VanDerWaalsContact C-N 3.35Å; L687-T689 VanDerWaalsContact C-N 3.31Å; L687-T689 PolarHBondContact O-N 3.43Å; L687-T691 VanDerWaalsContact O-CB 3.28Å; L687-T691 WeakPolarHBondContact O-CB 3.29Å; L687-T691 WeakPolarHBondContact O-CG2 3.43Å; L687-T691 PolarHBondContact O-OG1 3.18Å
688	Y	70.7	Confident	71.3	Confident	6 Å²	6	50.6 Å²	50.6	2%	0.024	25%	0.254	C	S	.	.	H	α-helix	trans	-70.7	-24.9	176	-63.1	-41.8	0	0	0	114.3	R437 I451 L454 L510 R636 I640 N684 P685 I686	R437-Y688 PolarHBondContact NH2-O 2.89Å; R437-Y688 VanDerWaalsContact NH2-O 3.1Å; I451-Y688 HydrophobicContact CG2-CD2 4.04Å; I451-Y688 HydrophobicContact CG2-CG 4.17Å; L454-Y688 HydrophobicContact CD2-CE2 3.9Å; L454-Y688 WeakPolarHBondContact CD2-OH 3.18Å; L510-Y688 WeakPolarHBondContact CD2-OH 3.25Å; R636-Y688 PolarHBondContact NH2-O 2.98Å; R636-Y688 VanDerWaalsContact NH2-O 3.15Å; I640-Y688 HydrophobicContact CD1-CD1 3.89Å; I640-Y688 HydrophobicContact CD1-CE1 3.73Å; I640-Y688 HydrophobicContact CG1-CE1 4.28Å; I640-Y688 HydrophobicContact CG2-CE1 4.15Å; N684-Y688 VanDerWaalsContact C-CD2 3.49Å; N684-Y688 HydrophobicContact CB-CD2 4.33Å; N684-Y688 HydrophobicContact CB-CE2 3.67Å; N684-Y688 WeakPolarHBondContact O-CD2 3.49Å; N684-Y688 WeakPolarHBondContact O-CE2 3.41Å; N684-Y688 VanDerWaalsContact O-CG 3.23Å; N684-Y688 PolarHBondContact O-N 3.01Å; P685-Y688 PolarHBondContact O-N 3.5Å; I686-Y688 PolarHBondContact O-N 2.73Å
689	T	67.4	Low	69.8	Low	38 Å²	38	52.9 Å²	52.9	23%	0.233	27%	0.268	C	S	.	.	H	α-helix	trans	-97.2	-44.9	-174	-48.1	0	0	0	0	112.3	V433 P685 I686 L687 T691 T692 F695	V433-T689 VanDerWaalsContact CG2-OG1 3.29Å; V433-T689 WeakPolarHBondContact CG2-OG1 3.2Å; P685-T689 VanDerWaalsContact O-CB 3.29Å; P685-T689 WeakPolarHBondContact O-CB 3.45Å; P685-T689 PolarHBondContact O-N 2.83Å; P685-T689 PolarHBondContact O-OG1 3.35Å; I686-T689 PolarHBondContact O-N 2.97Å; L687-T689 VanDerWaalsContact C-N 3.31Å; L687-T689 PolarHBondContact O-N 3.43Å; T689-T691 PolarHBondContact O-N 3.14Å; T689-T692 PolarHBondContact O-N 2.81Å; T689-T692 PolarHBondContact O-OG1 2.91Å; T689-F695 HydrophobicContact CG2-CB 4.48Å; T689-F695 HydrophobicContact CG2-CD2 4.14Å; T689-F695 HydrophobicContact CG2-CG 4.15Å; T689-F695 WeakPolarHBondContact O-CB 3.44Å
690	L	62.7	Low	68.5	Low	105 Å²	105	55.4 Å²	55.4	55%	0.55	28%	0.279	S	S	.	.	H	α-helix	trans	-65.3	-24	176	-69.2	-179.3	0	0	0	112.5	I686 F695	I686-L690 HydrophobicContact CG2-CD1 3.43Å; I686-L690 VanDerWaalsContact CG2-CD1 3.43Å; I686-L690 HydrophobicContact CG2-CG 3.98Å; I686-L690 WeakPolarHBondContact O-CB 3.33Å; I686-L690 WeakPolarHBondContact O-CG 3.42Å; I686-L690 PolarHBondContact O-N 3.1Å; L690-F695 HydrophobicContact CD2-CD1 4.09Å; L690-F695 HydrophobicContact CD2-CE1 3.9Å
691	T	59.1	Low	67.4	Low	38 Å²	38	59.2 Å²	59.2	23%	0.233	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-0.9	179.8	63.1	0	0	0	0	114.2	R636 L687 T689	R636-T691 HydrophobicContact CB-CG2 4.24Å; R636-T691 WeakPolarHBondContact CD-O 3.44Å; R636-T691 HydrophobicContact CG-CG2 3.95Å; R636-T691 VanDerWaalsContact CZ-OG1 3.3Å; R636-T691 VanDerWaalsContact NE-CB 3.31Å; R636-T691 PolarHBondContact NE-O 3.21Å; R636-T691 PolarHBondContact NE-OG1 2.87Å; R636-T691 PolarHBondContact NH1-O 3.43Å; R636-T691 PolarHBondContact NH2-OG1 3.01Å; R636-T691 VanDerWaalsContact NH2-OG1 3.13Å; L687-T691 VanDerWaalsContact O-CB 3.28Å; L687-T691 WeakPolarHBondContact O-CB 3.29Å; L687-T691 WeakPolarHBondContact O-CG2 3.43Å; L687-T691 PolarHBondContact O-OG1 3.18Å; T689-T691 PolarHBondContact O-N 3.14Å
692	T	62.6	Low	66.1	Low	30 Å²	30	63.9 Å²	63.9	18%	0.184	32%	0.323	C	S	.	.	S	Bend	trans	-84.1	135.4	170.8	47.9	0	0	0	0	111.6	T689 F694 F695 R696	T689-T692 PolarHBondContact O-N 2.81Å; T689-T692 PolarHBondContact O-OG1 2.91Å; T692-F694 PolarHBondContact O-N 2.8Å; T692-F695 PolarHBondContact O-N 2.88Å; T692-R696 PolarHBondContact O-N 3.19Å
693	S	55.2	Low	64.9	Low	79 Å²	79	68 Å²	68	55%	0.552	34%	0.343	S	S	*	.	H	α-helix	trans	-55.2	-39.2	176.8	48.7	0	0	0	0	112.8	F695 R696 E697	S693-F695 PolarHBondContact O-N 3.12Å; S693-R696 PolarHBondContact O-N 2.84Å; S693-E697 WeakPolarHBondContact O-CG 3.41Å; S693-E697 PolarHBondContact O-N 3.38Å
694	F	53.4	Low	63.9	Low	97 Å²	97	67.5 Å²	67.5	43%	0.425	35%	0.345	S	S	.	.	H	α-helix	trans	-60.4	-42.5	179.3	-177.7	-96.4	0	0	0	113.4	I440 T692 Q698	I440-F694 HydrophobicContact CD1-CD1 3.69Å; I440-F694 HydrophobicContact CD1-CE1 3.42Å; I440-F694 VanDerWaalsContact CD1-CE1 3.42Å; I440-F694 HydrophobicContact CD1-CZ 4.07Å; I440-F694 HydrophobicContact CG1-CE1 4.33Å; T692-F694 PolarHBondContact O-N 2.8Å; F694-Q698 HydrophobicContact CE1-CG 4.2Å; F694-Q698 HydrophobicContact CZ-CG 4.33Å; F694-Q698 WeakPolarHBondContact O-CG 3.34Å; F694-Q698 PolarHBondContact O-N 3.47Å; F694-Q698 VanDerWaalsContact O-N 3.08Å
695	F	54.6	Low	63.3	Low	75 Å²	75	75.4 Å²	75.4	33%	0.329	38%	0.375	S	S	.	.	H	α-helix	trans	-75	-36	178.5	-164	-99.6	0	0	0	110.9	T689 L690 T692 S693 E697 Q698 V699	T689-F695 HydrophobicContact CG2-CB 4.48Å; T689-F695 HydrophobicContact CG2-CD2 4.14Å; T689-F695 HydrophobicContact CG2-CG 4.15Å; T689-F695 WeakPolarHBondContact O-CB 3.44Å; L690-F695 HydrophobicContact CD2-CD1 4.09Å; L690-F695 HydrophobicContact CD2-CE1 3.9Å; T692-F695 PolarHBondContact O-N 2.88Å; S693-F695 PolarHBondContact O-N 3.12Å; F695-E697 VanDerWaalsContact C-N 3.33Å; F695-E697 PolarHBondContact O-N 3.09Å; F695-Q698 PolarHBondContact O-N 3.05Å; F695-V699 HydrophobicContact CD1-CG2 3.55Å; F695-V699 HydrophobicContact CE1-CG2 3.3Å; F695-V699 HydrophobicContact CG-CG2 4.31Å; F695-V699 HydrophobicContact CZ-CG2 3.87Å; F695-V699 VanDerWaalsContact O-CB 3.31Å; F695-V699 WeakPolarHBondContact O-CB 3.29Å; F695-V699 VanDerWaalsContact O-CG2 3.25Å; F695-V699 WeakPolarHBondContact O-CG2 3.36Å; F695-V699 PolarHBondContact O-N 3.15Å
696	R	57.2	Low	62.5	Low	153 Å²	153	82.3 Å²	82.3	58%	0.577	40%	0.4	S	S	*	.	H	α-helix	trans	-59.3	-44.2	173	-157.8	-177.7	83.6	-154.4	-2.4	111.5	T692 S693 V699 E700	T692-R696 PolarHBondContact O-N 3.19Å; S693-R696 PolarHBondContact O-N 2.84Å; R696-V699 PolarHBondContact O-N 3.37Å; R696-E700 IonicContact NE-OE1 2.65Å; R696-E700 PolarHBondContact NE-OE1 2.83Å; R696-E700 VanDerWaalsContact NE-OE1 3.07Å; R696-E700 VanDerWaalsContact O-CB 3.24Å; R696-E700 WeakPolarHBondContact O-CB 3.36Å; R696-E700 VanDerWaalsContact O-CG 3.25Å; R696-E700 WeakPolarHBondContact O-CG 3.12Å; R696-E700 PolarHBondContact O-N 3.34Å
697	E	59.3	Low	62.1	Low	109 Å²	109	84.2 Å²	84.2	51%	0.509	41%	0.407	S	S	.	.	H	α-helix	trans	-64.3	-42.4	175.7	-76.2	173	-171.9	0	0	112.2	S693 F695 E700 L701	S693-E697 WeakPolarHBondContact O-CG 3.41Å; S693-E697 PolarHBondContact O-N 3.38Å; F695-E697 VanDerWaalsContact C-N 3.33Å; F695-E697 PolarHBondContact O-N 3.09Å; E697-E700 PolarHBondContact O-N 2.92Å; E697-L701 VanDerWaalsContact O-CB 3.32Å; E697-L701 WeakPolarHBondContact O-CB 3.47Å; E697-L701 WeakPolarHBondContact O-CD1 3.45Å; E697-L701 WeakPolarHBondContact O-CG 3.4Å; E697-L701 PolarHBondContact O-N 2.82Å
698	Q	57.7	Low	61.2	Low	85 Å²	85	91.9 Å²	91.9	40%	0.397	43%	0.434	S	S	.	.	H	α-helix	trans	-67.8	-38.1	176.3	-70.9	-66.2	-18.7	0	0	112.7	F694 F695 L701 L702	F694-Q698 HydrophobicContact CE1-CG 4.2Å; F694-Q698 HydrophobicContact CZ-CG 4.33Å; F694-Q698 WeakPolarHBondContact O-CG 3.34Å; F694-Q698 PolarHBondContact O-N 3.47Å; F694-Q698 VanDerWaalsContact O-N 3.08Å; F695-Q698 PolarHBondContact O-N 3.05Å; Q698-L701 PolarHBondContact O-N 3.26Å; Q698-L702 WeakPolarHBondContact O-CB 3Å; Q698-L702 VanDerWaalsContact O-CG 3.27Å; Q698-L702 WeakPolarHBondContact O-CG 3.46Å; Q698-L702 PolarHBondContact O-N 3.16Å
699	V	57.4	Low	60.5	Low	48 Å²	48	100.8 Å²	100.8	29%	0.291	47%	0.467	S	S	.	.	H	α-helix	trans	-70	-41	175	170	0	0	0	0	111	F695 R696 L701 L702 L703	F695-V699 HydrophobicContact CD1-CG2 3.55Å; F695-V699 HydrophobicContact CE1-CG2 3.3Å; F695-V699 HydrophobicContact CG-CG2 4.31Å; F695-V699 HydrophobicContact CZ-CG2 3.87Å; F695-V699 VanDerWaalsContact O-CB 3.31Å; F695-V699 WeakPolarHBondContact O-CB 3.29Å; F695-V699 VanDerWaalsContact O-CG2 3.25Å; F695-V699 WeakPolarHBondContact O-CG2 3.36Å; F695-V699 PolarHBondContact O-N 3.15Å; R696-V699 PolarHBondContact O-N 3.37Å; V699-L701 VanDerWaalsContact C-N 3.32Å; V699-L701 PolarHBondContact O-N 3.17Å; V699-L702 PolarHBondContact O-N 3.4Å; V699-L703 HydrophobicContact CG1-CD1 3.68Å; V699-L703 HydrophobicContact CG1-CG 4.28Å; V699-L703 VanDerWaalsContact O-CB 3.25Å; V699-L703 WeakPolarHBondContact O-CB 3.03Å; V699-L703 WeakPolarHBondContact O-CG 3.47Å; V699-L703 PolarHBondContact O-N 3.16Å
700	E	62.3	Low	59.8	Low	93 Å²	93	104 Å²	104	44%	0.435	48%	0.479	S	S	.	.	H	α-helix	trans	-61.1	-40.7	172.1	-79.3	173.6	-160.8	0	0	110.9	R696 E697 C704	R696-E700 IonicContact NE-OE1 2.65Å; R696-E700 PolarHBondContact NE-OE1 2.83Å; R696-E700 VanDerWaalsContact NE-OE1 3.07Å; R696-E700 VanDerWaalsContact O-CB 3.24Å; R696-E700 WeakPolarHBondContact O-CB 3.36Å; R696-E700 VanDerWaalsContact O-CG 3.25Å; R696-E700 WeakPolarHBondContact O-CG 3.12Å; R696-E700 PolarHBondContact O-N 3.34Å; E697-E700 PolarHBondContact O-N 2.92Å; E700-C704 VanDerWaalsContact O-CB 3.24Å; E700-C704 WeakPolarHBondContact O-CB 3.17Å; E700-C704 PolarHBondContact O-N 3.29Å; E700-C704 PolarHBondContact O-SG 3.08Å
701	L	60.1	Low	59.3	Low	90 Å²	90	102.7 Å²	102.7	47%	0.471	48%	0.476	S	S	.	.	H	α-helix	trans	-66.1	-40.3	173.7	-75	167.5	0	0	0	112.5	E697 Q698 V699 R705	E697-L701 VanDerWaalsContact O-CB 3.32Å; E697-L701 WeakPolarHBondContact O-CB 3.47Å; E697-L701 WeakPolarHBondContact O-CD1 3.45Å; E697-L701 WeakPolarHBondContact O-CG 3.4Å; E697-L701 PolarHBondContact O-N 2.82Å; Q698-L701 PolarHBondContact O-N 3.26Å; V699-L701 VanDerWaalsContact C-N 3.32Å; V699-L701 PolarHBondContact O-N 3.17Å; L701-R705 WeakPolarHBondContact O-CB 3.02Å; L701-R705 VanDerWaalsContact O-CG 3.31Å; L701-R705 WeakPolarHBondContact O-CG 3.37Å; L701-R705 PolarHBondContact O-N 3.02Å
702	L	59.8	Low	58.9	Low	103 Å²	103	106.7 Å²	106.7	54%	0.539	50%	0.495	S	S	.	.	H	α-helix	trans	-70.1	-40.6	176.5	-76.9	167.5	0	0	0	112	Q698 V699 R705 W706	Q698-L702 WeakPolarHBondContact O-CB 3Å; Q698-L702 VanDerWaalsContact O-CG 3.27Å; Q698-L702 WeakPolarHBondContact O-CG 3.46Å; Q698-L702 PolarHBondContact O-N 3.16Å; V699-L702 PolarHBondContact O-N 3.4Å; L702-R705 PolarHBondContact O-N 2.63Å; L702-W706 VanDerWaalsContact O-CB 3.28Å; L702-W706 WeakPolarHBondContact O-CB 2.99Å; L702-W706 PolarHBondContact O-N 3.1Å
703	L	64.1	Low	58.4	Low	91 Å²	91	112.7 Å²	112.7	48%	0.476	52%	0.519	S	S	.	.	H	α-helix	trans	-64.5	-41.4	173	-80.7	164.4	0	0	0	110.9	V699 W706 Q707	V699-L703 HydrophobicContact CG1-CD1 3.68Å; V699-L703 HydrophobicContact CG1-CG 4.28Å; V699-L703 VanDerWaalsContact O-CB 3.25Å; V699-L703 WeakPolarHBondContact O-CB 3.03Å; V699-L703 WeakPolarHBondContact O-CG 3.47Å; V699-L703 PolarHBondContact O-N 3.16Å; L703-W706 PolarHBondContact O-N 3.01Å; L703-Q707 WeakPolarHBondContact O-CB 3.45Å; L703-Q707 PolarHBondContact O-N 3.15Å
704	C	65.9	Low	57.9	Low	56 Å²	56	116.6 Å²	116.6	38%	0.378	53%	0.526	S	S	.	.	H	α-helix	trans	-62.3	-42.3	172.1	-78.3	0	0	0	0	111.9	E700 W706 R708	E700-C704 VanDerWaalsContact O-CB 3.24Å; E700-C704 WeakPolarHBondContact O-CB 3.17Å; E700-C704 PolarHBondContact O-N 3.29Å; E700-C704 PolarHBondContact O-SG 3.08Å; C704-W706 VanDerWaalsContact C-N 3.34Å; C704-R708 WeakPolarHBondContact O-CB 3.01Å; C704-R708 PolarHBondContact O-N 3.38Å
705	R	68.8	Low	57.4	Low	167 Å²	167	116.6 Å²	116.6	63%	0.63	53%	0.53	S	S	*	.	H	α-helix	trans	-65.6	-36.9	174.6	-77.1	178.4	-170.1	-174	4.3	112	L701 L702 R709	L701-R705 WeakPolarHBondContact O-CB 3.02Å; L701-R705 VanDerWaalsContact O-CG 3.31Å; L701-R705 WeakPolarHBondContact O-CG 3.37Å; L701-R705 PolarHBondContact O-N 3.02Å; L702-R705 PolarHBondContact O-N 2.63Å; R705-R709 WeakPolarHBondContact O-CB 3.31Å; R705-R709 WeakPolarHBondContact O-CG 3.37Å; R705-R709 PolarHBondContact O-N 3.19Å
706	W	64.4	Low	56.9	Low	149 Å²	149	123.6 Å²	123.6	56%	0.564	55%	0.554	S	S	*	*	H	α-helix	trans	-72.2	-44.8	178.3	-173.7	84.5	0	0	0	111.7	L702 L703 C704 R708 R709 H710	L702-W706 VanDerWaalsContact O-CB 3.28Å; L702-W706 WeakPolarHBondContact O-CB 2.99Å; L702-W706 PolarHBondContact O-N 3.1Å; L703-W706 PolarHBondContact O-N 3.01Å; C704-W706 VanDerWaalsContact C-N 3.34Å; W706-R708 PolarHBondContact O-N 3.17Å; W706-R709 CarbonylContact O-C 3.04Å; W706-R709 PolarHBondContact O-N 2.88Å; W706-R709 VanDerWaalsContact O-N 3.13Å; W706-H710 AromaticContact CE2-CD2 3.62Å; W706-H710 AromaticContact CH2-CD2 3.85Å; W706-H710 AromaticContact CZ2-CD2 3.44Å; W706-H710 VanDerWaalsContact CZ2-CD2 3.44Å; W706-H710 WeakPolarHBondContact CZ2-CD2 3.16Å; W706-H710 AromaticContact CZ2-NE2 3.57Å; W706-H710 PolarHBondContact O-N 3.43Å
707	Q	67.1	Low	56.2	Low	124 Å²	124	125.1 Å²	125.1	58%	0.579	57%	0.565	S	S	*	*	H	α-helix	trans	-59.3	-44.7	171.6	-85.4	179.1	-29.9	0	0	111.3	L703 R709 H710 T711	L703-Q707 WeakPolarHBondContact O-CB 3.45Å; L703-Q707 PolarHBondContact O-N 3.15Å; Q707-R709 VanDerWaalsContact C-N 3.34Å; Q707-R709 PolarHBondContact O-N 3.49Å; Q707-H710 PolarHBondContact O-N 2.03Å; Q707-T711 PolarHBondContact O-N 3.16Å; Q707-T711 PolarHBondContact O-OG1 2.91Å
708	R	56.6	Low	55.3	Low	193 Å²	193	123 Å²	123	73%	0.728	56%	0.563	S	S	*	*	H	α-helix	trans	-59.1	-41.2	171.9	-91.3	-173.3	178.2	-179.4	0.7	112.8	C704 W706 H710 T711 L712	C704-R708 WeakPolarHBondContact O-CB 3.01Å; C704-R708 PolarHBondContact O-N 3.38Å; W706-R708 PolarHBondContact O-N 3.17Å; R708-H710 VanDerWaalsContact C-N 3.33Å; R708-T711 WeakPolarHBondContact CA-OG1 3.22Å; R708-T711 PolarHBondContact O-OG1 2.94Å; R708-T711 VanDerWaalsContact O-OG1 3.11Å; R708-L712 WeakPolarHBondContact O-CB 3.4Å; R708-L712 PolarHBondContact O-N 3.04Å
709	R	55.7	Low	54.7	Low	194 Å²	194	126.2 Å²	126.2	73%	0.732	58%	0.582	S	S	*	*	H	α-helix	trans	-67.9	-33	176.4	-83.2	179.5	175.1	179.6	-1.2	112.2	R705 W706 Q707 K713	R705-R709 WeakPolarHBondContact O-CB 3.31Å; R705-R709 WeakPolarHBondContact O-CG 3.37Å; R705-R709 PolarHBondContact O-N 3.19Å; W706-R709 CarbonylContact O-C 3.04Å; W706-R709 PolarHBondContact O-N 2.88Å; W706-R709 VanDerWaalsContact O-N 3.13Å; Q707-R709 VanDerWaalsContact C-N 3.34Å; Q707-R709 PolarHBondContact O-N 3.49Å; R709-K713 WeakPolarHBondContact O-CB 3.35Å; R709-K713 PolarHBondContact O-N 2.02Å; R709-K713 VanDerWaalsContact O-N 3.12Å
710	H	51.4	Low	54.1	Low	105 Å²	105	130.5 Å²	130.5	49%	0.486	61%	0.608	S	S	.	*	H	α-helix	trans	-74.7	-38.6	177.3	-117.5	-86.1	0	0	0	112.5	W706 Q707 R708 K713 K714	W706-H710 AromaticContact CE2-CD2 3.62Å; W706-H710 AromaticContact CH2-CD2 3.85Å; W706-H710 AromaticContact CZ2-CD2 3.44Å; W706-H710 VanDerWaalsContact CZ2-CD2 3.44Å; W706-H710 WeakPolarHBondContact CZ2-CD2 3.16Å; W706-H710 AromaticContact CZ2-NE2 3.57Å; W706-H710 PolarHBondContact O-N 3.43Å; Q707-H710 PolarHBondContact O-N 2.03Å; R708-H710 VanDerWaalsContact C-N 3.33Å; H710-K713 PolarHBondContact O-N 3.37Å; H710-K714 WeakPolarHBondContact O-CB 3.27Å; H710-K714 PolarHBondContact O-N 3.11Å
711	T	52.9	Low	52.8	Low	78 Å²	78	130.5 Å²	130.5	48%	0.479	62%	0.618	S	S	.	*	H	α-helix	trans	-67.7	-43.9	172.6	41.3	0	0	0	0	111.8	Q707 R708 K713 K714 D715	Q707-T711 PolarHBondContact O-N 3.16Å; Q707-T711 PolarHBondContact O-OG1 2.91Å; R708-T711 WeakPolarHBondContact CA-OG1 3.22Å; R708-T711 PolarHBondContact O-OG1 2.94Å; R708-T711 VanDerWaalsContact O-OG1 3.11Å; T711-K713 VanDerWaalsContact C-N 3.27Å; T711-K713 PolarHBondContact O-N 2.96Å; T711-K714 CarbonylContact O-C 3.07Å; T711-K714 WeakPolarHBondContact O-CA 3.16Å; T711-K714 WeakPolarHBondContact O-CB 3.49Å; T711-K714 PolarHBondContact O-N 3.15Å; T711-D715 PolarHBondContact O-N 3.05Å
712	L	51.3	Low	51.6	Low	121 Å²	121	132 Å²	132	63%	0.634	64%	0.636	S	S	*	*	H	α-helix	trans	-60.6	-32.2	173	-95.3	144.9	0	0	0	113.6	R708 R716	R708-L712 WeakPolarHBondContact O-CB 3.4Å; R708-L712 PolarHBondContact O-N 3.04Å; L712-R716 WeakPolarHBondContact O-CB 3.42Å; L712-R716 PolarHBondContact O-N 2.99Å; L712-R716 VanDerWaalsContact O-N 3.15Å
713	K	50.6	Low	50.3	Low	156 Å²	156	132.7 Å²	132.7	68%	0.678	65%	0.645	S	S	*	*	H	α-helix	trans	-74.7	-26.9	172.4	-110.7	-179.5	176.2	-179.7	0	113.1	R709 H710 T711	R709-K713 WeakPolarHBondContact O-CB 3.35Å; R709-K713 PolarHBondContact O-N 2.02Å; R709-K713 VanDerWaalsContact O-N 3.12Å; H710-K713 PolarHBondContact O-N 3.37Å; T711-K713 VanDerWaalsContact C-N 3.27Å; T711-K713 PolarHBondContact O-N 2.96Å
714	K	45.2	Very low	49	Very low	161 Å²	161	136.3 Å²	136.3	70%	0.7	66%	0.663	S	S	*	*	H	α-helix	trans	-78.2	-40.3	176.4	-155.2	177.2	-178.4	-174.9	0	110.7	H710 T711 K717 S718	H710-K714 WeakPolarHBondContact O-CB 3.27Å; H710-K714 PolarHBondContact O-N 3.11Å; T711-K714 CarbonylContact O-C 3.07Å; T711-K714 WeakPolarHBondContact O-CA 3.16Å; T711-K714 WeakPolarHBondContact O-CB 3.49Å; T711-K714 PolarHBondContact O-N 3.15Å; K714-K717 PolarHBondContact O-N 3.29Å; K714-K717 VanDerWaalsContact O-N 3.12Å; K714-S718 PolarHBondContact O-N 2.72Å; K714-S718 VanDerWaalsContact O-N 3.09Å; K714-S718 PolarHBondContact O-OG 3.33Å
715	D	43.9	Very low	47.2	Very low	97 Å²	97	142.8 Å²	142.8	52%	0.519	69%	0.685	S	S	.	*	H	α-helix	trans	-68.2	-34.5	175.4	-67.8	-23.7	0	0	0	112.5	T711 K717 S718 L719	T711-D715 PolarHBondContact O-N 3.05Å; D715-K717 PolarHBondContact O-N 3.24Å; D715-S718 WeakPolarHBondContact CA-OG 3.34Å; D715-S718 PolarHBondContact O-N 3.1Å; D715-S718 PolarHBondContact O-OG 3.46Å; D715-L719 PolarHBondContact O-N 3.48Å
716	R	43.3	Very low	45.4	Very low	222 Å²	222	141.1 Å²	141.1	84%	0.838	69%	0.694	S	S	*	*	H	α-helix	trans	-71	-15.1	173	-156.5	173.5	179.3	-176.5	-0.4	113.5	L712	L712-R716 WeakPolarHBondContact O-CB 3.42Å; L712-R716 PolarHBondContact O-N 2.99Å; L712-R716 VanDerWaalsContact O-N 3.15Å
717	K	42	Very low	43.7	Very low	185 Å²	185	141.6 Å²	141.6	80%	0.804	70%	0.702	S	S	*	*	H	α-helix	trans	-99.3	-12	173.7	-77.5	-172.4	176.2	-171.1	0	113.6	K714 D715	K714-K717 PolarHBondContact O-N 3.29Å; K714-K717 VanDerWaalsContact O-N 3.12Å; D715-K717 PolarHBondContact O-N 3.24Å
718	S	41.5	Very low	41.8	Very low	66 Å²	66	141.8 Å²	141.8	46%	0.462	71%	0.712	S	S	.	*	H	α-helix	trans	-103.1	-0.7	-179.7	60.5	0	0	0	0	114.3	K714 D715 T720 S721	K714-S718 PolarHBondContact O-N 2.72Å; K714-S718 VanDerWaalsContact O-N 3.09Å; K714-S718 PolarHBondContact O-OG 3.33Å; D715-S718 WeakPolarHBondContact CA-OG 3.34Å; D715-S718 PolarHBondContact O-N 3.1Å; D715-S718 PolarHBondContact O-OG 3.46Å; S718-T720 PolarHBondContact O-N 3.15Å; S718-S721 PolarHBondContact O-N 3.42Å
719	L	44.8	Very low	40.6	Very low	152 Å²	152	137.4 Å²	137.4	80%	0.796	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	29.8	178.4	-118.5	128.1	0	0	0	114.9	D715	D715-L719 PolarHBondContact O-N 3.48Å
720	T	44.3	Very low	39.5	Very low	137 Å²	137	138.3 Å²	138.3	84%	0.84	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.3	16.2	170.5	51.1	0	0	0	0	114.1	S718	S718-T720 PolarHBondContact O-N 3.15Å
721	S	34.7	Very low	38.5	Very low	93 Å²	93	139.3 Å²	139.3	65%	0.65	74%	0.736	S	S	*	*			trans	-148.3	109.6	169	-166.7	0	0	0	0	112.4	S718 T723	S718-S721 PolarHBondContact O-N 3.42Å; S721-T723 PolarHBondContact O-N 2.5Å
722	S	35.9	Very low	37.4	Very low	121 Å²	121	144.6 Å²	144.6	85%	0.846	76%	0.755	S	S	*	*			trans	-70.5	109.1	169.4	45.1	0	0	0	0	110.7
723	T	32.9	Very low	36.5	Very low	119 Å²	119	144.1 Å²	144.1	73%	0.73	76%	0.761	S	S	*	*			trans	-151.1	123.5	158.7	21.4	0	0	0	0	109.5	S721 F725	S721-T723 PolarHBondContact O-N 2.5Å; T723-F725 PolarHBondContact O-N 3.09Å
724	I	36.2	Very low	35.5	Very low	166 Å²	166	147.8 Å²	147.8	85%	0.851	77%	0.772	S	S	*	*			trans	-69.3	121.8	177.2	-64.8	165	0	0	0	108.2
725	F	27.3	Very low	34.8	Very low	193 Å²	193	148.7 Å²	148.7	85%	0.846	78%	0.779	S	S	*	*			trans	-126.2	130.2	165	-115.3	-88.8	0	0	0	109.2	T723	T723-F725 PolarHBondContact O-N 3.09Å
726	V	32.1	Very low	34.1	Very low	132 Å²	132	149.6 Å²	149.6	80%	0.8	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-70.3	123.5	179.8	173.7	0	0	0	0	109.2
727	E	28	Very low	33.5	Very low	158 Å²	158	145 Å²	145	74%	0.738	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-102	117.3	-177	-159.1	172.5	-145.9	0	0	110.6
728	T	28.4	Very low	33.1	Very low	129 Å²	129	141.2 Å²	141.2	79%	0.791	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-77.3	128.7	172.5	41.3	0	0	0	0	111.8
729	A	31.2	Very low	32.8	Very low	100 Å²	100	147.1 Å²	147.1	83%	0.826	81%	0.809	S	S	*	*			trans	34.9	108	158	0	0	0	0	0	119.9
730	R	31.3	Very low	32.2	Very low	214 Å²	214	147.4 Å²	147.4	81%	0.808	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-83	142.5	168.7	-67.6	176.1	178.3	166.6	0.3	112.2
731	P	30.8	Very low	31.4	Very low	125 Å²	125	149.8 Å²	149.8	81%	0.812	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-81.3	129	156.1	1.7	16	0	0	0	110.2
732	Q	30.9	Very low	31.1	Very low	189 Å²	189	153.7 Å²	153.7	88%	0.883	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-69.8	125.2	176.4	-76	172.2	-25.1	0	0	111.1
733	C	32	Very low	30.9	Very low	112 Å²	112	155.5 Å²	155.5	76%	0.757	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-75.5	127.4	162.2	-75.5	0	0	0	0	109.2
734	Y	29	Very low	30.6	Very low	233 Å²	233	155.3 Å²	155.3	91%	0.914	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-55.2	133.5	176.4	-96.4	-99.1	0	0	0	112.4
735	Q	30.3	Very low	30.3	Very low	180 Å²	180	155 Å²	155	84%	0.841	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-80	143.6	165.3	-82.1	-175.7	-33.4	0	0	110.5
736	P	29.7	Very low	30.5	Very low	116 Å²	116	152 Å²	152	75%	0.753	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-77	151.8	169.6	32.4	-31.1	0	0	0	110.9
737	P	29.4	Very low	30.3	Very low	125 Å²	125	154.8 Å²	154.8	81%	0.812	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-71.5	139.9	179	22	-19.4	0	0	0	111.1	F739	P737-F739 PolarHBondContact O-N 3.22Å
738	A	35.3	Very low	30.5	Very low	105 Å²	105	152.1 Å²	152.1	87%	0.868	83%	0.83	S	S	*	*			trans	-70.1	95.3	174.7	0	0	0	0	0	110.4
739	F	34.2	Very low	30.7	Very low	190 Å²	190	152 Å²	152	83%	0.833	82%	0.824	S	S	*	*			trans	-147.9	130.6	156.8	-140.9	-101.5	0	0	0	109.3	P737	P737-F739 PolarHBondContact O-N 3.22Å
740	L	32.8	Very low	31.2	Very low	159 Å²	159	152.9 Å²	152.9	83%	0.832	82%	0.821	S	S	*	*			trans	88	88.5	177.7	-65.2	154.3	0	0	0	118.1
741	Q	27.1	Very low	31.3	Very low	187 Å²	187	152 Å²	152	87%	0.874	82%	0.818	S	S	*	*			trans	-147	91.3	133.7	-134.7	168.4	-3	0	0	106.8
742	Q	28.4	Very low	31.5	Very low	174 Å²	174	157.4 Å²	157.4	81%	0.813	82%	0.824	S	S	*	*				71.2	107.9	90.9	-160.4	164.9	3.7	0	0	112.2
743	L	30.8	Very low	31.8	Very low	159 Å²	159	156.9 Å²	156.9	83%	0.832	85%	0.852	S	S	*	*			trans	-42.9	134.8	169.4	-91.3	79.7	0	0	0	111.9
744	S	26.3	Very low	31.8	Very low	116 Å²	116	159.1 Å²	159.1	81%	0.811	86%	0.856	S	S	*	*			trans	-130.7	115.9	149.8	55.6	0	0	0	0	108.5
745	L	31.2	Very low	31.9	Very low	160 Å²	160	155.2 Å²	155.2	84%	0.838	85%	0.853	S	S	*	*			trans	-68.4	131.9	166.9	-101.2	139.1	0	0	0	109
746	V	31.1	Very low	32	Very low	129 Å²	129	153.8 Å²	153.8	78%	0.782	85%	0.854	S	S	*	*			trans	158.4	97.4	139.9	164.9	0	0	0	0	107.8
747	E	28.8	Very low	32.2	Very low	190 Å²	190	156.1 Å²	156.1	89%	0.888	86%	0.86	S	S	*	*				171.3	126.8	123.4	-107.2	168.2	174.2	0	0	109.5
748	A	31.7	Very low	32.3	Very low	103 Å²	103	158 Å²	158	85%	0.851	86%	0.863	S	S	*	*			trans	-84	134.4	-178.5	0	0	0	0	0	110.5
749	D	31.7	Very low	32.1	Very low	125 Å²	125	161.5 Å²	161.5	67%	0.668	86%	0.863	S	S	*	*			trans	-111.2	120	164.4	-166.9	-6.8	0	0	0	108.2	R751	D749-R751 PolarHBondContact O-N 2.86Å; D749-R751 VanDerWaalsContact O-N 3.12Å
750	P	42.1	Very low	32	Very low	119 Å²	119	159.5 Å²	159.5	77%	0.773	87%	0.865	S	S	*	*			trans	-84.9	88	-173	33.9	-33.4	0	0	0	109.9
751	R	33.4	Very low	31.9	Very low	197 Å²	197	159.5 Å²	159.5	74%	0.743	87%	0.867	S	S	*	*			trans	-141.5	28.8	168.2	-104.2	-169.1	-78.3	-168.1	-3.1	115	D749	D749-R751 PolarHBondContact O-N 2.86Å; D749-R751 VanDerWaalsContact O-N 3.12Å
752	Y	35.1	Very low	32.3	Very low	237 Å²	237	157.3 Å²	157.3	93%	0.929	87%	0.867	S	S	*	*			trans	-149.2	103.5	162.3	-80.3	-78.7	0	0	0	109.6
753	A	37.6	Very low	32.7	Very low	178 Å²	178	155.7 Å²	155.7	100%	1.471	87%	0.872	S	S	*	*			trans	-92.5	0	155.6	0	0	0	0	0	108.5

Retrieved 753 of 753 residues in 1310.4 ms (Link to these results)

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