A0A3Q0KNG0_SCHMA Loading...

Putative ras suppressor protein 1, rsu1

AlphaFold DB , UniProt , Accession A0A3Q0KNG0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,024 aa.

						>A0A3Q0KNG0_SCHMA|A0A3Q0KNG0
MVDYLPPNPLTKDKGGIWARGVKDDLITSVFDEQHSFCDFSSSLDAPNITLTSELLLKRGLIKDPQCICEVDVSCLGLEDLEPDLHLKFTSLRKLVAADNALSLECCKNFNGLVELDLSLNQINSLSRYSPGFDSLQYLNLSYNFLQSADIEKLGYLPSLRILYLSGNDLRKLPPDLSETGLTSDEHIVFKFSKLEILHLDDNKLSDAQDFASLGTLPRLTYLNLANNRFTTVPLLKSTPLKKHQINEAQNNSAIENIPFLKSTTLNETTQHDSLLISHNEQSEDNESLVINGRCMKTSYHHKWNSDNSSDSNKKQLTNNLCKIVNKRSLEKPNNLSSLTGKESQEQQQNITNYSLSLDEHRNPNAPRVRIVDEFLGLYNLKKLFPLIYDKQTKYNHQRGCKSIQSDPDIHVHKSNSRLLLTAKEKSTLDQTFTTDELVLLDNEQKSDIQSKTVPPPFQFLQSIDLSHNKISCEEHLLPIAVWPKLRECIIYANPVISKSSRIPQLLERLLIQQLHINLYRNPIDNPNLFKIKNTNLLERNELNSCVQHLSLKQNQDFGNNEITAVNSGTSTKNSLSHKNISKYKKVLNKDKEGISYNSSMKPIVIRYKLDKPSLDLGPKMIKCNVNQILDEMKKLNQTNIVNSSPLSPPPTTTVTSIASVTLSNLSNSPTLNDSFKDNSSMYNESRKISHSLQLPTIERYKTFIKNDSQKLDQNLSEFLSNLQCDEQIEEENEDMNNFFTTQLSSINTTDPTKHHTSKLNHSNHSDYIPFHQQNNTENDNNQSNEQYEDKTPTKCSTNSGSLLSNLEWIIDEKNLPNSMQACLRELRYLLQHKPTIHPYIHQNIIRSPLTLPGDNHQPIEYPIASTSSSSKLIEDVVNSKVQVSSEKSCNQVSPKNKISSRNTSLSSMKLIPVCNDLEILPSKLNLNQFMGFTEIPLTKALKDEEIQKRQLEKIKAKQNPLVRNLKLVKNSNQPKRTKSKGPKELFEQIQVIYSNVREQAITKALDTINQDFDKKTEQICQNI
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	26.9	Very low	35.7	Very low	175 Å²	175	110.5 Å²	110.5	86%	0.862	61%	0.605	S	S	*	*				0	118.2	0	-74.3	163.3	77.3	0	0	103.8	K533	M1-K533 WeakPolarHBondContact SD-CE 3.33Å; M1-K533 PolarHBondContact SD-NZ 3.43Å
2	V	29.9	Very low	36.1	Very low	140 Å²	140	112 Å²	112	85%	0.848	60%	0.602	S	S	*	*			trans	-77.7	114.2	156.4	-179.7	0	0	0	0	103	Y4	V2-Y4 PolarHBondContact O-N 3.46Å
3	D	30.3	Very low	36.9	Very low	113 Å²	113	109.2 Å²	109.2	60%	0.604	59%	0.587	S	S	*	*			trans	-69.8	128.1	-178.3	-73	-39.3	0	0	0	108.5	L5	D3-L5 PolarHBondContact O-N 3.49Å
4	Y	29.8	Very low	37.1	Very low	149 Å²	149	117 Å²	117	58%	0.584	61%	0.612	S	S	*	*			trans	-74.7	77.3	-173.1	-140.5	-94.8	0	0	0	109.3	V2 Y143	V2-Y4 PolarHBondContact O-N 3.46Å; Y4-Y143 HydrophobicContact CE1-CD2 4.44Å; Y4-Y143 AromaticContact CE1-CE2 3.82Å; Y4-Y143 HydrophobicContact CE1-CE2 3.82Å; Y4-Y143 WeakPolarHBondContact OH-CE2 3.45Å
5	L	29.3	Very low	37.4	Very low	149 Å²	149	113.8 Å²	113.8	78%	0.78	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-56.7	128.9	168.7	-71.8	174.3	0	0	0	107.5	D3	D3-L5 PolarHBondContact O-N 3.49Å
6	P	33.6	Very low	37.2	Very low	110 Å²	110	108.6 Å²	108.6	71%	0.714	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-59.6	134.1	172.2	26.6	-33	0	0	0	107.9
7	P	44.7	Very low	37.3	Very low	50 Å²	50	109.3 Å²	109.3	33%	0.325	60%	0.601	S	S	.	*	P	Polyproline II helix	trans	-58.6	150.5	-174.8	22.6	-33.9	0	0	0	111.6	L120	P7-L120 HydrophobicContact CB-CD2 3.69Å; P7-L120 HydrophobicContact CG-CD2 3.87Å
8	N	38.8	Very low	37.5	Very low	82 Å²	82	110.7 Å²	110.7	44%	0.439	60%	0.596	S	S	.	*	P	Polyproline II helix	trans	-48.1	133	173.1	-78.8	-8.3	0	0	0	109.3	L10 R20 G21	N8-L10 PolarHBondContact O-N 3.46Å; N8-R20 HydrophobicContact CB-CG 3.65Å; N8-R20 PolarHBondContact O-NE 3.24Å; N8-G21 PolarHBondContact ND2-O 2.99Å; N8-G21 VanDerWaalsContact ND2-O 3.13Å
9	P	40.6	Very low	37.9	Very low	109 Å²	109	106.7 Å²	106.7	71%	0.708	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-59.9	138.6	-175.3	24.9	-34.2	0	0	0	110.3	T11	P9-T11 PolarHBondContact O-N 2.96Å
10	L	43.7	Very low	38.5	Very low	59 Å²	59	102.6 Å²	102.6	31%	0.309	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-63.8	119	179.2	-63.2	173.3	0	0	0	109.6	N8 W18 R20 F145	N8-L10 PolarHBondContact O-N 3.46Å; L10-W18 HydrophobicContact CB-CB 4.34Å; L10-W18 HydrophobicContact CB-CD2 4.41Å; L10-W18 HydrophobicContact CB-CE3 3.67Å; L10-W18 HydrophobicContact CB-CZ3 4.33Å; L10-W18 HydrophobicContact CD1-CB 4.35Å; L10-W18 WeakPolarHBondContact O-CZ3 3.46Å; L10-R20 HydrophobicContact CD2-CB 4.41Å; L10-F145 HydrophobicContact CD1-CE1 3.69Å; L10-F145 HydrophobicContact CD1-CZ 3.69Å; L10-F145 HydrophobicContact CD2-CZ 3.9Å; L10-F145 HydrophobicContact CG-CZ 4.47Å
11	T	45.6	Very low	38.5	Very low	79 Å²	79	99.2 Å²	99.2	49%	0.485	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	125.2	171.7	43.2	0	0	0	0	108.8	P9 D13 A19	P9-T11 PolarHBondContact O-N 2.96Å; T11-D13 PolarHBondContact O-N 3.41Å; T11-A19 PolarHBondContact N-O 3.36Å; T11-A19 PolarHBondContact O-N 2.93Å; T11-A19 PolarHBondContact OG1-O 2.83Å
12	K	39.7	Very low	39	Very low	129 Å²	129	96.8 Å²	96.8	56%	0.561	54%	0.539	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	122.4	172.6	-164	172.7	-173.4	179.2	0	108.7	G16 I17 W18	K12-G16 WeakPolarHBondContact CE-O 3.45Å; K12-I17 WeakPolarHBondContact CA-O 3.48Å; K12-W18 HydrophobicContact CB-CD2 4.37Å; K12-W18 HydrophobicContact CB-CE3 3.98Å; K12-W18 HydrophobicContact CB-CZ3 4.09Å; K12-W18 HydrophobicContact CD-CZ2 4.45Å
13	D	46.3	Very low	39.2	Very low	76 Å²	76	96 Å²	96	41%	0.406	53%	0.525	S	S	.	.			trans	-73.9	-176.9	179.4	97	-53.5	0	0	0	111.5	T11 G15 G16 I17	T11-D13 PolarHBondContact O-N 3.41Å; D13-G15 WeakPolarHBondContact OD1-CA 3.4Å; D13-G15 PolarHBondContact OD1-N 3.39Å; D13-G15 VanDerWaalsContact OD1-N 3.08Å; D13-G15 PolarHBondContact OD2-N 2.84Å; D13-G16 PolarHBondContact O-N 3.38Å; D13-G16 PolarHBondContact OD1-N 2.89Å; D13-I17 PolarHBondContact N-O 2.86Å; D13-I17 WeakPolarHBondContact OD1-CA 3.2Å; D13-I17 WeakPolarHBondContact OD1-CB 3.36Å; D13-I17 PolarHBondContact OD1-N 3.11Å
14	K	40.9	Very low	39.4	Very low	218 Å²	218	96.6 Å²	96.6	95%	0.948	53%	0.527	S	S	*	.	S	Bend	trans	-71.1	-27.1	177.7	-68.1	-178.9	-177	171.9	0	113.4	G16	K14-G16 VanDerWaalsContact C-N 3.32Å
15	G	40.8	Very low	39.5	Very low	69 Å²	69	95.2 Å²	95.2	71%	0.711	53%	0.53	S	S	*	.	S	Bend	trans	-75.8	-19.4	172.9	0	0	0	0	0	113.8	D13	D13-G15 WeakPolarHBondContact OD1-CA 3.4Å; D13-G15 PolarHBondContact OD1-N 3.39Å; D13-G15 VanDerWaalsContact OD1-N 3.08Å; D13-G15 PolarHBondContact OD2-N 2.84Å
16	G	34.7	Very low	39.4	Very low	31 Å²	31	93.3 Å²	93.3	32%	0.32	52%	0.52	S	S	.	.	S	Bend	trans	98.6	10	-179.5	0	0	0	0	0	114.8	K12 D13 K14	K12-G16 WeakPolarHBondContact CE-O 3.45Å; D13-G16 PolarHBondContact O-N 3.38Å; D13-G16 PolarHBondContact OD1-N 2.89Å; K14-G16 VanDerWaalsContact C-N 3.32Å
17	I	38.1	Very low	39.3	Very low	120 Å²	120	94.3 Å²	94.3	62%	0.615	52%	0.518	S	S	*	.			trans	-77.4	141.6	173.4	-54.3	175.6	0	0	0	108.6	K12 D13 A19	K12-I17 WeakPolarHBondContact CA-O 3.48Å; D13-I17 PolarHBondContact N-O 2.86Å; D13-I17 WeakPolarHBondContact OD1-CA 3.2Å; D13-I17 WeakPolarHBondContact OD1-CB 3.36Å; D13-I17 PolarHBondContact OD1-N 3.11Å; I17-A19 PolarHBondContact O-N 3.16Å
18	W	41.6	Very low	38.5	Very low	135 Å²	135	97.6 Å²	97.6	51%	0.511	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	103.3	173	-67.5	102.8	0	0	0	109.7	L10 K12	L10-W18 HydrophobicContact CB-CB 4.34Å; L10-W18 HydrophobicContact CB-CD2 4.41Å; L10-W18 HydrophobicContact CB-CE3 3.67Å; L10-W18 HydrophobicContact CB-CZ3 4.33Å; L10-W18 HydrophobicContact CD1-CB 4.35Å; L10-W18 WeakPolarHBondContact O-CZ3 3.46Å; K12-W18 HydrophobicContact CB-CD2 4.37Å; K12-W18 HydrophobicContact CB-CE3 3.98Å; K12-W18 HydrophobicContact CB-CZ3 4.09Å; K12-W18 HydrophobicContact CD-CZ2 4.45Å
19	A	44.6	Very low	37.7	Very low	35 Å²	35	97.8 Å²	97.8	29%	0.289	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	149.3	174	0	0	0	0	0	110.4	T11 I17	T11-A19 PolarHBondContact N-O 3.36Å; T11-A19 PolarHBondContact O-N 2.93Å; T11-A19 PolarHBondContact OG1-O 2.83Å; I17-A19 PolarHBondContact O-N 3.16Å
20	R	49.4	Very low	37	Very low	24 Å²	24	98.6 Å²	98.6	9%	0.091	55%	0.548	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	133.5	166.7	-173.5	168.7	-65.7	118.3	14.1	109.5	N8 L10 V22 D99 L120	N8-R20 HydrophobicContact CB-CG 3.65Å; N8-R20 PolarHBondContact O-NE 3.24Å; L10-R20 HydrophobicContact CD2-CB 4.41Å; R20-V22 PolarHBondContact O-N 3.35Å; R20-D99 WeakPolarHBondContact CD-OD1 3.44Å; R20-D99 IonicContact CZ-OD1 3.61Å; R20-D99 IonicContact NE-OD1 3.85Å; R20-D99 IonicContact NH1-OD1 2.6Å; R20-D99 PolarHBondContact NH1-OD1 3.34Å; R20-L120 PolarHBondContact NH1-O 3.33Å
21	G	38.3	Very low	36.3	Very low	31 Å²	31	104.4 Å²	104.4	32%	0.32	57%	0.571	S	S	.	*	P	Polyproline II helix	trans	-62	116.7	174	0	0	0	0	0	111.3	N8	N8-G21 PolarHBondContact ND2-O 2.99Å; N8-G21 VanDerWaalsContact ND2-O 3.13Å
22	V	39.1	Very low	35.4	Very low	125 Å²	125	108.8 Å²	108.8	76%	0.758	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-63.4	150.3	171.5	-178.7	0	0	0	0	109.4	R20	R20-V22 PolarHBondContact O-N 3.35Å
23	K	34.2	Very low	34.8	Very low	124 Å²	124	111 Å²	111	54%	0.539	60%	0.604	S	S	.	*			trans	-110	80.5	-175.4	-161.4	-174.7	-175.7	-168.8	0	110.8	D25 L26	K23-D25 PolarHBondContact O-N 2.78Å; K23-L26 HydrophobicContact CD-CD1 4.15Å; K23-L26 HydrophobicContact CD-CG 4.3Å; K23-L26 PolarHBondContact O-N 2.84Å
24	D	33.9	Very low	33.8	Very low	124 Å²	124	116.8 Å²	116.8	66%	0.663	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-52	-31	-174.7	-56.3	-20.6	0	0	0	113.5	L26 I27	D24-L26 PolarHBondContact O-N 2.83Å; D24-I27 PolarHBondContact O-N 3.37Å
25	D	31.3	Very low	33.1	Very low	120 Å²	120	114.1 Å²	114.1	64%	0.642	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-58.5	-15.5	-179.2	-60.2	-39.2	0	0	0	115.6	K23	K23-D25 PolarHBondContact O-N 2.78Å
26	L	28.3	Very low	32.2	Very low	110 Å²	110	117 Å²	117	58%	0.576	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-86.4	-9.6	-175.6	-75.5	178.4	0	0	0	115.1	K23 D24	K23-L26 HydrophobicContact CD-CD1 4.15Å; K23-L26 HydrophobicContact CD-CG 4.3Å; K23-L26 PolarHBondContact O-N 2.84Å; D24-L26 PolarHBondContact O-N 2.83Å
27	I	30.5	Very low	31.7	Very low	131 Å²	131	123.7 Å²	123.7	67%	0.672	65%	0.649	S	S	*	*	S	Bend	trans	-79.8	-23.1	176.3	-62.3	179.4	0	0	0	111.4	D24	D24-I27 PolarHBondContact O-N 3.37Å
28	T	27.1	Very low	31.1	Very low	119 Å²	119	123 Å²	123	73%	0.73	65%	0.653	S	S	*	*	S	Bend	trans	-103.4	6.9	-160.9	-14	0	0	0	0	116.1
29	S	23.9	Very low	30.2	Very low	85 Å²	85	123.1 Å²	123.1	59%	0.594	66%	0.664	S	S	*	*	S	Bend	trans	-123.2	9.8	-166.3	51.9	0	0	0	0	116.9
30	V	25.9	Very low	29.3	Very low	127 Å²	127	131 Å²	131	77%	0.77	69%	0.692	S	S	*	*	S	Bend	trans	-134.5	37.5	177.4	-156.2	0	0	0	0	112.4
31	F	28.8	Very low	28	Very low	181 Å²	181	134.2 Å²	134.2	79%	0.794	72%	0.718	S	S	*	*			trans	-129	73.8	178.1	-71.3	-70.3	0	0	0	111.4
32	D	25	Very low	27.4	Very low	170 Å²	170	138.2 Å²	138.2	91%	0.909	74%	0.742	S	S	*	*			trans	-135.9	43.5	175.2	-143.7	-2.1	0	0	0	111
33	E	27.7	Very low	26.8	Very low	175 Å²	175	136.2 Å²	136.2	82%	0.818	73%	0.733	S	S	*	*	S	Bend	trans	-140.5	141.3	173.1	-139.9	172.7	-126.6	0	0	111.5	H35	E33-H35 PolarHBondContact O-N 3.14Å
34	Q	26.2	Very low	26.6	Very low	198 Å²	198	139 Å²	139	93%	0.925	75%	0.753	S	S	*	*			trans	-87.1	64.5	-153.8	-63.2	-179.8	0	0	0	114.4
35	H	26.2	Very low	26.7	Very low	162 Å²	162	139.4 Å²	139.4	75%	0.75	76%	0.755	S	S	*	*			trans	-113.6	120	170	-79.8	-67.1	0	0	0	112.5	E33 F37	E33-H35 PolarHBondContact O-N 3.14Å; H35-F37 PolarHBondContact O-N 3.38Å; H35-F37 VanDerWaalsContact O-N 3.11Å
36	S	22	Very low	27.1	Very low	129 Å²	129	138 Å²	138	90%	0.902	76%	0.759	S	S	*	*			trans	-58.2	112.3	171	-177	0	0	0	0	109.8
37	F	24	Very low	28.1	Very low	173 Å²	173	137.3 Å²	137.3	76%	0.759	76%	0.762	S	S	*	*			trans	-133.9	143.7	174.6	-138.9	-95.6	0	0	0	108.9	H35	H35-F37 PolarHBondContact O-N 3.38Å; H35-F37 VanDerWaalsContact O-N 3.11Å
38	C	25.4	Very low	29.5	Very low	105 Å²	105	136.1 Å²	136.1	71%	0.709	76%	0.757	S	S	*	*			trans	-70.6	147	-159.8	-58	0	0	0	0	114.2	F40	C38-F40 PolarHBondContact O-N 3.36Å; C38-F40 VanDerWaalsContact O-N 3.13Å
39	D	23.3	Very low	32.1	Very low	138 Å²	138	134.3 Å²	134.3	74%	0.738	74%	0.742	S	S	*	*			trans	-52.9	109.6	172.3	-81.9	-75.3	0	0	0	113.2	S41	D39-S41 VanDerWaalsContact C-N 3.33Å; D39-S41 WeakPolarHBondContact CB-OG 3.35Å; D39-S41 PolarHBondContact OD1-OG 3.07Å
40	F	25	Very low	35.1	Very low	200 Å²	200	133.5 Å²	133.5	88%	0.877	73%	0.733	S	S	*	*			trans	-99.9	54.6	155.9	-80.7	-79.8	0	0	0	109.8	C38	C38-F40 PolarHBondContact O-N 3.36Å; C38-F40 VanDerWaalsContact O-N 3.13Å
41	S	23	Very low	37.9	Very low	92 Å²	92	127.5 Å²	127.5	64%	0.643	70%	0.697	S	S	*	*			trans	-108.1	24.6	-175	55.5	0	0	0	0	113.5	D39	D39-S41 VanDerWaalsContact C-N 3.33Å; D39-S41 WeakPolarHBondContact CB-OG 3.35Å; D39-S41 PolarHBondContact OD1-OG 3.07Å
42	S	24.7	Very low	40.6	Very low	115 Å²	115	121.4 Å²	121.4	80%	0.804	68%	0.675	S	S	*	*			trans	-148.8	52.4	-173.3	59.2	0	0	0	0	116.3
43	S	27.2	Very low	43.3	Very low	82 Å²	82	114.3 Å²	114.3	57%	0.573	64%	0.638	S	S	*	*			trans	-143.2	130.3	154	-172	0	0	0	0	110.1	D45	S43-D45 WeakPolarHBondContact CB-O 3.35Å; S43-D45 PolarHBondContact OG-N 3.33Å; S43-D45 PolarHBondContact OG-O 3.47Å
44	L	29.8	Very low	45.9	Very low	183 Å²	183	110.6 Å²	110.6	96%	0.958	62%	0.621	S	S	*	*	S	Bend	trans	-95	-11.8	172.2	-151.8	73.2	0	0	0	112
45	D	36.7	Very low	48.3	Very low	133 Å²	133	103.3 Å²	103.3	71%	0.711	59%	0.588	S	S	*	*	S	Bend	trans	-81.2	120.3	161.3	-55.6	-58.2	0	0	0	107.4	S43 P47	S43-D45 WeakPolarHBondContact CB-O 3.35Å; S43-D45 PolarHBondContact OG-N 3.33Å; S43-D45 PolarHBondContact OG-O 3.47Å; D45-P47 WeakPolarHBondContact O-CD 3.44Å
46	A	39.4	Very low	50.7	Low	89 Å²	89	95.7 Å²	95.7	74%	0.736	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-63.8	117.2	179.1	0	0	0	0	0	109.3	N48	A46-N48 PolarHBondContact O-N 2.88Å
47	P	48.1	Very low	53.3	Low	97 Å²	97	91.7 Å²	91.7	63%	0.63	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-70.3	128.2	-179.4	28.6	-33.1	0	0	0	109.3	D45 I49	D45-P47 WeakPolarHBondContact O-CD 3.44Å; P47-I49 WeakPolarHBondContact O-CG1 3.35Å; P47-I49 PolarHBondContact O-N 3.44Å
48	N	61.1	Low	55.8	Low	106 Å²	106	89.5 Å²	89.5	57%	0.567	51%	0.511	S	S	*	.			trans	-49.6	114.6	175.4	-54.6	70.6	0	0	0	108.9	A46 T50 E79	A46-N48 PolarHBondContact O-N 2.88Å; N48-T50 PolarHBondContact O-N 3.44Å; N48-E79 HydrophobicContact CB-CB 4.34Å; N48-E79 PolarHBondContact ND2-OE2 3.2Å
49	I	81.5	Confident	58	Low	81 Å²	81	90 Å²	90	42%	0.415	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	106.1	-169.6	-48.4	-178.3	0	0	0	107.9	P47 L78 E79	P47-I49 WeakPolarHBondContact O-CG1 3.35Å; P47-I49 PolarHBondContact O-N 3.44Å; I49-L78 HydrophobicContact CG2-CD2 3.94Å; I49-L78 CarbonylContact O-C 3.57Å; I49-L78 VanDerWaalsContact O-CA 3.29Å; I49-L78 WeakPolarHBondContact O-CA 3.23Å; I49-E79 PolarHBondContact O-N 3.32Å
50	T	85.7	Confident	60	Low	67 Å²	67	84.1 Å²	84.1	41%	0.411	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	137	-177.6	47	0	0	0	0	111.4	N48 T52 D80	N48-T50 PolarHBondContact O-N 3.44Å; T50-T52 PolarHBondContact O-N 2.99Å; T50-D80 CarbonylContact C-O 3.44Å; T50-D80 WeakPolarHBondContact CA-O 3.32Å; T50-D80 HydrophobicContact CG2-CB 4.33Å
51	L	84.4	Confident	61.7	Low	2 Å²	2	82.4 Å²	82.4	1%	0.01	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	100.8	176.9	-176.5	60.9	0	0	0	110.4	L55 L56 V73 L78 D80 L81 E82 L85	L51-L55 HydrophobicContact CD1-CB 4.2Å; L51-L55 HydrophobicContact CD1-CD2 3.64Å; L51-L55 HydrophobicContact CD1-CG 4.34Å; L51-L56 HydrophobicContact CD1-CD2 4.31Å; L51-L56 HydrophobicContact CD1-CG 4.09Å; L51-L56 HydrophobicContact CD2-CD1 4.16Å; L51-L56 HydrophobicContact CD2-CD2 3.96Å; L51-L56 HydrophobicContact CD2-CG 3.96Å; L51-L56 HydrophobicContact CG-CD1 4.47Å; L51-L56 HydrophobicContact CG-CD2 4.45Å; L51-L56 HydrophobicContact CG-CG 4.04Å; L51-V73 HydrophobicContact CD1-CB 4.26Å; L51-V73 HydrophobicContact CD1-CG1 3.86Å; L51-V73 HydrophobicContact CD2-CG1 4.22Å; L51-V73 HydrophobicContact CD2-CG2 4.08Å; L51-L78 HydrophobicContact CB-CD1 4.18Å; L51-L78 HydrophobicContact CB-CD2 4.12Å; L51-L78 HydrophobicContact CD1-CD1 3.99Å; L51-L78 HydrophobicContact CD1-CD2 4.39Å; L51-L78 HydrophobicContact CG-CD1 4.44Å; L51-D80 PolarHBondContact N-O 3.24Å; L51-L81 HydrophobicContact CB-CD2 3.54Å; L51-L81 HydrophobicContact CD2-CD2 3.69Å; L51-L81 HydrophobicContact CG-CD2 4.23Å; L51-E82 VanDerWaalsContact O-CB 3.32Å; L51-E82 WeakPolarHBondContact O-CB 3.26Å; L51-E82 PolarHBondContact O-N 2.82Å; L51-L85 HydrophobicContact CB-CD2 4.5Å; L51-L85 HydrophobicContact CD2-CD2 4.17Å; L51-L85 HydrophobicContact CG-CD2 4.15Å; L51-L85 WeakPolarHBondContact O-CD2 3.17Å
52	T	86.1	Confident	63.7	Low	52 Å²	52	81.6 Å²	81.6	32%	0.319	46%	0.457	S	S	.	.			trans	-83.3	152.3	176	58.1	0	0	0	0	112.6	T50 E54 L55 L56	T50-T52 PolarHBondContact O-N 2.99Å; T52-E54 PolarHBondContact O-N 3.35Å; T52-L55 WeakPolarHBondContact O-CB 3.4Å; T52-L55 PolarHBondContact O-N 2.96Å; T52-L55 PolarHBondContact OG1-N 3.43Å; T52-L56 PolarHBondContact O-N 3.23Å; T52-L56 VanDerWaalsContact O-N 3.07Å
53	S	82.4	Confident	65.8	Low	21 Å²	21	86.1 Å²	86.1	15%	0.147	46%	0.462	C	S	.	.	H	α-helix	trans	-55.9	-33.3	171.3	41.4	0	0	0	0	113.2	L56 L57 E82 K88	S53-L56 PolarHBondContact O-N 2.87Å; S53-L57 VanDerWaalsContact O-CG 3.3Å; S53-L57 WeakPolarHBondContact O-CG 3.37Å; S53-L57 PolarHBondContact O-N 2.81Å; S53-E82 VanDerWaalsContact CB-OE2 3.32Å; S53-E82 WeakPolarHBondContact CB-OE2 3.29Å; S53-E82 PolarHBondContact N-OE2 3.37Å; S53-E82 PolarHBondContact OG-OE2 3.08Å; S53-K88 PolarHBondContact OG-NZ 3.11Å
54	E	81.2	Confident	68.2	Low	97 Å²	97	85.2 Å²	85.2	45%	0.453	45%	0.451	S	S	.	.	H	α-helix	trans	-62.9	-41.7	172.2	177	62.3	-170.1	0	0	112.4	T52 K58	T52-E54 PolarHBondContact O-N 3.35Å; E54-K58 HydrophobicContact CG-CD 4.32Å; E54-K58 WeakPolarHBondContact O-CB 3.42Å; E54-K58 WeakPolarHBondContact O-CG 3.41Å; E54-K58 PolarHBondContact O-N 3.16Å; E54-K58 WeakPolarHBondContact OE1-CE 3.41Å; E54-K58 IonicContact OE1-NZ 2.65Å; E54-K58 PolarHBondContact OE1-NZ 2.76Å
55	L	77.6	Confident	70.5	Confident	46 Å²	46	78 Å²	78	24%	0.241	42%	0.415	C	S	.	.	H	α-helix	trans	-68.5	-42	176.9	-163.4	154.6	0	0	0	111.2	L51 T52 K58 R59 V73 L76	L51-L55 HydrophobicContact CD1-CB 4.2Å; L51-L55 HydrophobicContact CD1-CD2 3.64Å; L51-L55 HydrophobicContact CD1-CG 4.34Å; T52-L55 WeakPolarHBondContact O-CB 3.4Å; T52-L55 PolarHBondContact O-N 2.96Å; T52-L55 PolarHBondContact OG1-N 3.43Å; L55-K58 PolarHBondContact O-N 2.78Å; L55-R59 HydrophobicContact CD2-CG 4.03Å; L55-R59 PolarHBondContact O-N 3.45Å; L55-V73 HydrophobicContact CD2-CG1 4.28Å; L55-L76 HydrophobicContact CD1-CD1 4.24Å; L55-L76 HydrophobicContact CD2-CD1 3.55Å
56	L	76.7	Confident	72.6	Confident	2 Å²	2	77.4 Å²	77.4	1%	0.01	41%	0.408	C	S	.	.	H	α-helix	trans	-62.1	-41.3	175.1	-82.8	-176.4	0	0	0	112.8	L51 T52 S53 R59 G60 V71 V73 L85 F89	L51-L56 HydrophobicContact CD1-CD2 4.31Å; L51-L56 HydrophobicContact CD1-CG 4.09Å; L51-L56 HydrophobicContact CD2-CD1 4.16Å; L51-L56 HydrophobicContact CD2-CD2 3.96Å; L51-L56 HydrophobicContact CD2-CG 3.96Å; L51-L56 HydrophobicContact CG-CD1 4.47Å; L51-L56 HydrophobicContact CG-CD2 4.45Å; L51-L56 HydrophobicContact CG-CG 4.04Å; T52-L56 PolarHBondContact O-N 3.23Å; T52-L56 VanDerWaalsContact O-N 3.07Å; S53-L56 PolarHBondContact O-N 2.87Å; L56-R59 PolarHBondContact O-N 3.33Å; L56-G60 PolarHBondContact O-N 3.49Å; L56-V71 HydrophobicContact CD2-CB 4.15Å; L56-V71 HydrophobicContact CD2-CG1 3.55Å; L56-V71 HydrophobicContact CD2-CG2 3.65Å; L56-V73 HydrophobicContact CD2-CG1 3.64Å; L56-L85 HydrophobicContact CD1-CD1 3.99Å; L56-L85 HydrophobicContact CD1-CD2 3.73Å; L56-L85 HydrophobicContact CD1-CG 3.93Å; L56-F89 HydrophobicContact CB-CE1 3.64Å; L56-F89 HydrophobicContact CB-CE2 3.94Å; L56-F89 HydrophobicContact CB-CZ 3.3Å; L56-F89 HydrophobicContact CD1-CD1 4.15Å; L56-F89 HydrophobicContact CD1-CD2 3.73Å; L56-F89 HydrophobicContact CD1-CE1 4.01Å; L56-F89 HydrophobicContact CD1-CE2 3.62Å; L56-F89 HydrophobicContact CD1-CG 4.02Å; L56-F89 HydrophobicContact CD1-CZ 3.77Å; L56-F89 HydrophobicContact CG-CE1 4.44Å; L56-F89 HydrophobicContact CG-CE2 4.44Å; L56-F89 HydrophobicContact CG-CZ 4.19Å
57	L	76.8	Confident	74.5	Confident	44 Å²	44	76.5 Å²	76.5	23%	0.23	40%	0.396	C	S	.	.	H	α-helix	trans	-63.9	-43.7	175.2	-74	167.2	0	0	0	111.5	S53 R59 G60 L61 I62 P65 I68 F89	S53-L57 VanDerWaalsContact O-CG 3.3Å; S53-L57 WeakPolarHBondContact O-CG 3.37Å; S53-L57 PolarHBondContact O-N 2.81Å; L57-R59 VanDerWaalsContact C-N 3.34Å; L57-R59 PolarHBondContact O-N 3.27Å; L57-G60 PolarHBondContact O-N 2.96Å; L57-L61 PolarHBondContact O-N 3.09Å; L57-I62 VanDerWaalsContact CD2-O 3.25Å; L57-I62 WeakPolarHBondContact CD2-O 3.34Å; L57-P65 HydrophobicContact CD2-CB 4.05Å; L57-I68 HydrophobicContact CD2-CD1 4.09Å; L57-F89 HydrophobicContact CG-CZ 4.22Å
58	K	76.5	Confident	76.1	Confident	128 Å²	128	72 Å²	72	56%	0.557	37%	0.366	S	S	*	.	H	α-helix	trans	-59.7	-39.4	174.7	-81.7	165.5	164.3	151.9	0	112.9	E54 L55	E54-K58 HydrophobicContact CG-CD 4.32Å; E54-K58 WeakPolarHBondContact O-CB 3.42Å; E54-K58 WeakPolarHBondContact O-CG 3.41Å; E54-K58 PolarHBondContact O-N 3.16Å; E54-K58 WeakPolarHBondContact OE1-CE 3.41Å; E54-K58 IonicContact OE1-NZ 2.65Å; E54-K58 PolarHBondContact OE1-NZ 2.76Å; L55-K58 PolarHBondContact O-N 2.78Å
59	R	71.5	Confident	77.4	Confident	115 Å²	115	69.8 Å²	69.8	43%	0.434	36%	0.359	S	S	.	.	H	α-helix	trans	-78.2	-32.1	176.2	-75.9	-68.4	-176.4	101.2	-6.9	113.8	L55 L56 L57 L61 V71 D72	L55-R59 HydrophobicContact CD2-CG 4.03Å; L55-R59 PolarHBondContact O-N 3.45Å; L56-R59 PolarHBondContact O-N 3.33Å; L57-R59 VanDerWaalsContact C-N 3.34Å; L57-R59 PolarHBondContact O-N 3.27Å; R59-L61 VanDerWaalsContact C-N 3.35Å; R59-V71 HydrophobicContact CB-CG2 4Å; R59-D72 PolarHBondContact NH1-O 2.89Å
60	G	63.9	Low	77.7	Confident	15 Å²	15	71.4 Å²	71.4	16%	0.155	37%	0.365	C	S	.	.	H	α-helix	trans	-79.1	-10.1	-178.2	0	0	0	0	0	115.3	L56 L57 I62	L56-G60 PolarHBondContact O-N 3.49Å; L57-G60 PolarHBondContact O-N 2.96Å; G60-I62 WeakPolarHBondContact O-CG1 3.44Å; G60-I62 PolarHBondContact O-N 2.69Å
61	L	61.4	Low	77.9	Confident	164 Å²	164	68.7 Å²	68.7	86%	0.859	35%	0.348	S	S	*	.			trans	58.3	8.8	-178.7	-55	177.7	0	0	0	115.5	L57 R59	L57-L61 PolarHBondContact O-N 3.09Å; R59-L61 VanDerWaalsContact C-N 3.35Å
62	I	64.4	Low	78.1	Confident	74 Å²	74	72 Å²	72	38%	0.379	37%	0.365	S	S	.	.			trans	-120.5	135.5	-174.5	-63.9	162.1	0	0	0	108.5	L57 G60 D64 C67 I68	L57-I62 VanDerWaalsContact CD2-O 3.25Å; L57-I62 WeakPolarHBondContact CD2-O 3.34Å; G60-I62 WeakPolarHBondContact O-CG1 3.44Å; G60-I62 PolarHBondContact O-N 2.69Å; I62-D64 VanDerWaalsContact C-N 3.32Å; I62-D64 WeakPolarHBondContact CG2-O 3.34Å; I62-D64 PolarHBondContact O-N 3.13Å; I62-C67 HydrophobicContact CG2-CB 3.76Å; I62-I68 HydrophobicContact CB-CD1 4.25Å; I62-I68 HydrophobicContact CB-CG1 3.97Å; I62-I68 HydrophobicContact CD1-CG1 4.1Å; I62-I68 HydrophobicContact CG2-CG1 4.47Å
63	K	68.7	Low	78.2	Confident	210 Å²	210	69.5 Å²	69.5	91%	0.913	35%	0.35	S	S	*	.	S	Bend	trans	-76.3	-16	-176.3	-64.8	-175.6	176.7	-177.2	0	114.5
64	D	77.8	Confident	78.6	Confident	64 Å²	64	69.5 Å²	69.5	34%	0.342	35%	0.35	S	S	.	.			trans	-110.1	117.1	179.4	171.9	20.8	0	0	0	110.1	I62 Q66 C67	I62-D64 VanDerWaalsContact C-N 3.32Å; I62-D64 WeakPolarHBondContact CG2-O 3.34Å; I62-D64 PolarHBondContact O-N 3.13Å; D64-Q66 PolarHBondContact O-N 2.95Å; D64-Q66 WeakPolarHBondContact OD1-CB 2.81Å; D64-Q66 PolarHBondContact OD1-N 2.91Å; D64-C67 HydrophobicContact CB-CB 4.38Å; D64-C67 PolarHBondContact O-N 3.43Å; D64-C67 VanDerWaalsContact O-N 3.17Å; D64-C67 PolarHBondContact OD2-SG 3.49Å
65	P	79	Confident	79	Confident	31 Å²	31	68.6 Å²	68.6	20%	0.201	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-67.2	-21.2	179.5	30.7	-35.9	0	0	0	112.9	L57 C67 I68 K88 F89	L57-P65 HydrophobicContact CD2-CB 4.05Å; P65-C67 PolarHBondContact O-N 3.34Å; P65-I68 PolarHBondContact O-N 3.39Å; P65-K88 CarbonylContact C-O 3.57Å; P65-K88 HydrophobicContact CB-CB 4.49Å; P65-K88 WeakPolarHBondContact CB-O 3.41Å; P65-F89 HydrophobicContact CB-CD1 3.81Å; P65-F89 HydrophobicContact CB-CD2 4.23Å; P65-F89 HydrophobicContact CB-CE1 3.53Å; P65-F89 HydrophobicContact CB-CE2 3.94Å; P65-F89 HydrophobicContact CB-CG 4.15Å; P65-F89 HydrophobicContact CB-CZ 3.58Å
66	Q	80	Confident	79.5	Confident	120 Å²	120	68.7 Å²	68.7	56%	0.561	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-73.1	-15.3	176.4	-56.2	-172.5	9.9	0	0	112.8	D64 S91	D64-Q66 PolarHBondContact O-N 2.95Å; D64-Q66 WeakPolarHBondContact OD1-CB 2.81Å; D64-Q66 PolarHBondContact OD1-N 2.91Å; Q66-S91 WeakPolarHBondContact O-CB 3.42Å; Q66-S91 PolarHBondContact O-OG 3.13Å
67	C	80.3	Confident	79.9	Confident	70 Å²	70	70.2 Å²	70.2	47%	0.473	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-91	-8.8	175.1	-74.9	0	0	0	0	113.9	I62 D64 P65 C69	I62-C67 HydrophobicContact CG2-CB 3.76Å; D64-C67 HydrophobicContact CB-CB 4.38Å; D64-C67 PolarHBondContact O-N 3.43Å; D64-C67 VanDerWaalsContact O-N 3.17Å; D64-C67 PolarHBondContact OD2-SG 3.49Å; P65-C67 PolarHBondContact O-N 3.34Å; C67-C69 PolarHBondContact O-N 2.92Å
68	I	82	Confident	80.5	Confident	2 Å²	2	68.1 Å²	68.1	1%	0.01	36%	0.359	C	S	.	.			trans	-84.6	111	-175.8	-70.5	168.1	0	0	0	110.2	L57 I62 P65 V71 F89 S91 L92	L57-I68 HydrophobicContact CD2-CD1 4.09Å; I62-I68 HydrophobicContact CB-CD1 4.25Å; I62-I68 HydrophobicContact CB-CG1 3.97Å; I62-I68 HydrophobicContact CD1-CG1 4.1Å; I62-I68 HydrophobicContact CG2-CG1 4.47Å; P65-I68 PolarHBondContact O-N 3.39Å; I68-V71 HydrophobicContact CG2-CB 4.31Å; I68-F89 HydrophobicContact CB-CD1 4.1Å; I68-F89 HydrophobicContact CB-CE1 4.32Å; I68-F89 HydrophobicContact CD1-CD1 4.44Å; I68-F89 HydrophobicContact CD1-CE1 3.79Å; I68-F89 HydrophobicContact CG2-CD1 4.2Å; I68-F89 HydrophobicContact CG2-CE1 4.44Å; I68-S91 CarbonylContact O-C 3.5Å; I68-L92 HydrophobicContact CG2-CD1 4.11Å; I68-L92 PolarHBondContact O-N 2.97Å
69	C	86.7	Confident	81.2	Confident	61 Å²	61	65.9 Å²	65.9	41%	0.412	35%	0.351	S	S	.	.			trans	-100.2	-29	-179.5	-64.3	0	0	0	0	113.6	C67 R93 K94	C67-C69 PolarHBondContact O-N 2.92Å; C69-R93 WeakPolarHBondContact O-CA 3.49Å; C69-R93 PolarHBondContact O-N 3.32Å; C69-K94 PolarHBondContact O-N 3.27Å
70	E	89.4	Confident	82.1	Confident	115 Å²	115	64.2 Å²	64.2	54%	0.537	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	142.4	177.3	-49.4	-165.5	-177.6	0	0	109.5	K94	E70-K94 WeakPolarHBondContact CA-O 3.17Å; E70-K94 HydrophobicContact CB-CB 3.97Å; E70-K94 HydrophobicContact CB-CD 4.31Å; E70-K94 HydrophobicContact CB-CG 4.48Å; E70-K94 HydrophobicContact CG-CB 3.83Å; E70-K94 HydrophobicContact CG-CD 4.18Å; E70-K94 WeakPolarHBondContact OE2-CD 3.4Å
71	V	88.7	Confident	83.4	Confident	9 Å²	9	64.1 Å²	64.1	6%	0.055	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	149.9	175.8	75.3	0	0	0	0	112.4	L56 R59 I68 V73 L92 K94 L95 V96	L56-V71 HydrophobicContact CD2-CB 4.15Å; L56-V71 HydrophobicContact CD2-CG1 3.55Å; L56-V71 HydrophobicContact CD2-CG2 3.65Å; R59-V71 HydrophobicContact CB-CG2 4Å; I68-V71 HydrophobicContact CG2-CB 4.31Å; V71-V73 HydrophobicContact CG2-CG1 4.33Å; V71-L92 HydrophobicContact CB-CD1 4.36Å; V71-L92 HydrophobicContact CG1-CD1 3.89Å; V71-L92 HydrophobicContact CG1-CD2 4.5Å; V71-K94 PolarHBondContact N-O 2.94Å; V71-K94 VanDerWaalsContact N-O 3.09Å; V71-L95 HydrophobicContact CG1-CD1 3.57Å; V71-V96 PolarHBondContact O-N 3.49Å
72	D	89	Confident	84.7	Confident	72 Å²	72	58.6 Å²	58.6	39%	0.385	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	117.3	175.8	-167.5	-16.3	0	0	0	111.3	R59 S74 V96	R59-D72 PolarHBondContact NH1-O 2.89Å; D72-S74 WeakPolarHBondContact OD1-CB 3.36Å; D72-S74 PolarHBondContact OD1-N 3.5Å; D72-S74 PolarHBondContact OD1-OG 2.81Å; D72-V96 WeakPolarHBondContact CA-O 3.5Å; D72-V96 HydrophobicContact CB-CB 4.21Å
73	V	88.9	Confident	85.6	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	33%	0.331	C	S	.	.			trans	-123.8	25.1	-178.9	-60	0	0	0	0	111.3	L51 L55 L56 V71 L76 L78 L95 V96 A97 N100	L51-V73 HydrophobicContact CD1-CB 4.26Å; L51-V73 HydrophobicContact CD1-CG1 3.86Å; L51-V73 HydrophobicContact CD2-CG1 4.22Å; L51-V73 HydrophobicContact CD2-CG2 4.08Å; L55-V73 HydrophobicContact CD2-CG1 4.28Å; L56-V73 HydrophobicContact CD2-CG1 3.64Å; V71-V73 HydrophobicContact CG2-CG1 4.33Å; V73-L76 HydrophobicContact CB-CD1 4.01Å; V73-L78 HydrophobicContact CB-CD1 3.93Å; V73-L78 HydrophobicContact CG2-CD1 3.93Å; V73-L95 HydrophobicContact CG2-CD1 3.85Å; V73-V96 WeakPolarHBondContact CG2-O 3.41Å; V73-V96 PolarHBondContact N-O 3.3Å; V73-A97 HydrophobicContact CG2-CB 3.59Å; V73-N100 PolarHBondContact O-ND2 3.43Å
74	S	90.6	Very high	86.5	Confident	20 Å²	20	54.8 Å²	54.8	14%	0.14	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	153.9	179.1	-49.9	0	0	0	0	112.9	D72 L76 A98	D72-S74 WeakPolarHBondContact OD1-CB 3.36Å; D72-S74 PolarHBondContact OD1-N 3.5Å; D72-S74 PolarHBondContact OD1-OG 2.81Å; S74-L76 PolarHBondContact O-N 3.33Å; S74-A98 CarbonylContact C-O 3.58Å; S74-A98 WeakPolarHBondContact CA-O 3.46Å; S74-A98 VanDerWaalsContact CB-O 3.24Å; S74-A98 WeakPolarHBondContact CB-O 3.46Å; S74-A98 PolarHBondContact OG-N 2.97Å
75	C	89.1	Confident	86.9	Confident	79 Å²	79	51.9 Å²	51.9	53%	0.534	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	55	41.9	178	-58.3	0	0	0	0	114.3	A98 D99	C75-A98 PolarHBondContact N-O 3.25Å; C75-D99 PolarHBondContact SG-OD2 2.7Å; C75-D99 VanDerWaalsContact SG-OD2 3.4Å
76	L	88.4	Confident	87.2	Confident	47 Å²	47	52.2 Å²	52.2	25%	0.246	30%	0.296	C	S	.	.	S	Bend	trans	-113.1	0.6	-179.4	-75.9	179.5	0	0	0	114	L55 V73 S74 L78 N100	L55-L76 HydrophobicContact CD1-CD1 4.24Å; L55-L76 HydrophobicContact CD2-CD1 3.55Å; V73-L76 HydrophobicContact CB-CD1 4.01Å; S74-L76 PolarHBondContact O-N 3.33Å; L76-L78 HydrophobicContact CB-CD1 4.04Å; L76-L78 HydrophobicContact CB-CD2 4.26Å; L76-L78 HydrophobicContact CB-CG 3.75Å; L76-L78 HydrophobicContact CD1-CD1 4.3Å; L76-L78 PolarHBondContact O-N 2.99Å; L76-N100 WeakPolarHBondContact CA-OD1 3.39Å; L76-N100 PolarHBondContact N-OD1 3.18Å
77	G	85.8	Confident	87.6	Confident	34 Å²	34	51.4 Å²	51.4	35%	0.351	30%	0.295	S	S	.	.			trans	67.7	22.4	-178	0	0	0	0	0	113.8	N100	G77-N100 PolarHBondContact N-OD1 3.28Å
78	L	89.4	Confident	87.9	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	134.1	-173.6	-60.3	167.9	0	0	0	111.9	I49 L51 V73 L76 N100 A101 L102	I49-L78 HydrophobicContact CG2-CD2 3.94Å; I49-L78 CarbonylContact O-C 3.57Å; I49-L78 VanDerWaalsContact O-CA 3.29Å; I49-L78 WeakPolarHBondContact O-CA 3.23Å; L51-L78 HydrophobicContact CB-CD1 4.18Å; L51-L78 HydrophobicContact CB-CD2 4.12Å; L51-L78 HydrophobicContact CD1-CD1 3.99Å; L51-L78 HydrophobicContact CD1-CD2 4.39Å; L51-L78 HydrophobicContact CG-CD1 4.44Å; V73-L78 HydrophobicContact CB-CD1 3.93Å; V73-L78 HydrophobicContact CG2-CD1 3.93Å; L76-L78 HydrophobicContact CB-CD1 4.04Å; L76-L78 HydrophobicContact CB-CD2 4.26Å; L76-L78 HydrophobicContact CB-CG 3.75Å; L76-L78 HydrophobicContact CD1-CD1 4.3Å; L76-L78 PolarHBondContact O-N 2.99Å; L78-N100 HydrophobicContact CB-CB 4.06Å; L78-N100 PolarHBondContact N-OD1 3.42Å; L78-A101 CarbonylContact O-C 3.58Å; L78-A101 WeakPolarHBondContact O-CA 3.26Å; L78-A101 PolarHBondContact O-N 2.81Å; L78-L102 HydrophobicContact CB-CD1 4.12Å; L78-L102 HydrophobicContact CB-CD2 4Å; L78-L102 HydrophobicContact CB-CG 3.97Å; L78-L102 HydrophobicContact CD1-CD1 4.4Å; L78-L102 PolarHBondContact O-N 3.21Å
79	E	90.1	Very high	88.1	Confident	82 Å²	82	51.8 Å²	51.8	38%	0.383	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	-34.5	179.3	-67.5	-177.2	-142.8	0	0	112.9	N48 I49 A101	N48-E79 HydrophobicContact CB-CB 4.34Å; N48-E79 PolarHBondContact ND2-OE2 3.2Å; I49-E79 PolarHBondContact O-N 3.32Å; E79-A101 HydrophobicContact CG-CB 4.19Å
80	D	90.6	Very high	88.1	Confident	79 Å²	79	52.6 Å²	52.6	42%	0.422	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	179.9	175.8	-159.9	4.1	0	0	0	111.1	T50 L51 C106	T50-D80 CarbonylContact C-O 3.44Å; T50-D80 WeakPolarHBondContact CA-O 3.32Å; T50-D80 HydrophobicContact CG2-CB 4.33Å; L51-D80 PolarHBondContact N-O 3.24Å; D80-C106 PolarHBondContact OD1-SG 3.44Å
81	L	90.6	Very high	88	Confident	14 Å²	14	48.8 Å²	48.8	7%	0.073	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	155.2	179	-48.5	-179.3	0	0	0	110.9	L51 L85 L102 C106 F110	L51-L81 HydrophobicContact CB-CD2 3.54Å; L51-L81 HydrophobicContact CD2-CD2 3.69Å; L51-L81 HydrophobicContact CG-CD2 4.23Å; L81-L85 HydrophobicContact CB-CD2 4.14Å; L81-L102 HydrophobicContact CD2-CD1 4.35Å; L81-L102 HydrophobicContact CD2-CD2 3.72Å; L81-L102 HydrophobicContact CG-CD2 4.35Å; L81-C106 HydrophobicContact CD1-CB 3.87Å; L81-C106 WeakPolarHBondContact CD1-O 3.28Å; L81-C106 HydrophobicContact CG-CB 3.86Å; L81-F110 HydrophobicContact CD1-CE2 3.88Å; L81-F110 HydrophobicContact CD1-CZ 4.47Å
82	E	89.1	Confident	88.1	Confident	47 Å²	47	48.5 Å²	48.5	22%	0.22	28%	0.276	C	S	.	.			trans	-57.9	137.6	170.2	-170	-167.5	153	0	0	110.8	L51 S53 L85 K88	L51-E82 VanDerWaalsContact O-CB 3.32Å; L51-E82 WeakPolarHBondContact O-CB 3.26Å; L51-E82 PolarHBondContact O-N 2.82Å; S53-E82 VanDerWaalsContact CB-OE2 3.32Å; S53-E82 WeakPolarHBondContact CB-OE2 3.29Å; S53-E82 PolarHBondContact N-OE2 3.37Å; S53-E82 PolarHBondContact OG-OE2 3.08Å; E82-L85 HydrophobicContact CB-CB 4.38Å; E82-L85 HydrophobicContact CB-CD1 4.3Å; E82-L85 VanDerWaalsContact O-CB 3.24Å; E82-L85 WeakPolarHBondContact O-CB 3.3Å; E82-L85 PolarHBondContact O-N 3.06Å; E82-K88 IonicContact OE1-NZ 3.97Å; E82-K88 PolarHBondContact OE1-NZ 3.04Å; E82-K88 IonicContact OE2-NZ 2.79Å
83	P	84.2	Confident	88.3	Confident	106 Å²	106	50.7 Å²	50.7	69%	0.688	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	142.4	170.2	-28	35.9	0	0	0	112	L85	P83-L85 PolarHBondContact O-N 2.74Å
84	D	86.3	Confident	88.6	Confident	98 Å²	98	53.3 Å²	53.3	52%	0.524	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	56	17.1	179.2	-61.9	-28.9	0	0	0	116.5	H86 L87	D84-H86 PolarHBondContact O-N 3.4Å; D84-H86 VanDerWaalsContact O-N 3.16Å; D84-H86 IonicContact OD1-CE1 2.67Å; D84-L87 HydrophobicContact CB-CB 4.49Å; D84-L87 HydrophobicContact CB-CD1 3.91Å; D84-L87 HydrophobicContact CB-CG 4.13Å; D84-L87 WeakPolarHBondContact O-CB 3.49Å; D84-L87 PolarHBondContact O-N 3.45Å
85	L	87	Confident	88.8	Confident	3 Å²	3	52.4 Å²	52.4	2%	0.016	28%	0.284	C	S	.	.	H	α-helix	trans	-54.8	-36.4	174.8	-166.2	62.6	0	0	0	112.5	L51 L56 L81 E82 P83 L87 K88 F89 F110	L51-L85 HydrophobicContact CB-CD2 4.5Å; L51-L85 HydrophobicContact CD2-CD2 4.17Å; L51-L85 HydrophobicContact CG-CD2 4.15Å; L51-L85 WeakPolarHBondContact O-CD2 3.17Å; L56-L85 HydrophobicContact CD1-CD1 3.99Å; L56-L85 HydrophobicContact CD1-CD2 3.73Å; L56-L85 HydrophobicContact CD1-CG 3.93Å; L81-L85 HydrophobicContact CB-CD2 4.14Å; E82-L85 HydrophobicContact CB-CB 4.38Å; E82-L85 HydrophobicContact CB-CD1 4.3Å; E82-L85 VanDerWaalsContact O-CB 3.24Å; E82-L85 WeakPolarHBondContact O-CB 3.3Å; E82-L85 PolarHBondContact O-N 3.06Å; P83-L85 PolarHBondContact O-N 2.74Å; L85-L87 PolarHBondContact O-N 2.95Å; L85-K88 WeakPolarHBondContact O-CB 3.46Å; L85-K88 PolarHBondContact O-N 3.28Å; L85-F89 HydrophobicContact CD1-CD2 3.77Å; L85-F89 HydrophobicContact CD1-CE2 3.6Å; L85-F89 HydrophobicContact CG-CD2 4.06Å; L85-F89 HydrophobicContact CG-CE2 4.35Å; L85-F89 WeakPolarHBondContact O-CD2 3.44Å; L85-F89 PolarHBondContact O-N 3.36Å; L85-F110 HydrophobicContact CB-CZ 4.25Å; L85-F110 HydrophobicContact CD2-CZ 4.31Å; L85-F110 HydrophobicContact CG-CZ 4.21Å
86	H	86.3	Confident	89	Confident	39 Å²	39	50.1 Å²	50.1	18%	0.181	27%	0.267	C	S	.	.	H	α-helix	trans	-61.6	-24.7	174.3	71.1	-75.9	0	0	0	114.3	D84 N109 F110	D84-H86 PolarHBondContact O-N 3.4Å; D84-H86 VanDerWaalsContact O-N 3.16Å; D84-H86 IonicContact OD1-CE1 2.67Å; H86-N109 HydrophobicContact CB-CB 4.16Å; H86-N109 PolarHBondContact CD2-O 3.49Å; H86-F110 HydrophobicContact CB-CD1 3.97Å; H86-F110 HydrophobicContact CB-CD2 4Å; H86-F110 HydrophobicContact CB-CE1 4.03Å; H86-F110 HydrophobicContact CB-CE2 4.06Å; H86-F110 HydrophobicContact CB-CG 3.97Å; H86-F110 HydrophobicContact CB-CZ 4.08Å
87	L	87.6	Confident	89.3	Confident	103 Å²	103	47.9 Å²	47.9	54%	0.539	26%	0.255	S	S	.	.	H	α-helix	trans	-79.3	-22.2	173.5	-56.2	-173.9	0	0	0	112.7	D84 L85 T90	D84-L87 HydrophobicContact CB-CB 4.49Å; D84-L87 HydrophobicContact CB-CD1 3.91Å; D84-L87 HydrophobicContact CB-CG 4.13Å; D84-L87 WeakPolarHBondContact O-CB 3.49Å; D84-L87 PolarHBondContact O-N 3.45Å; L85-L87 PolarHBondContact O-N 2.95Å; L87-T90 WeakPolarHBondContact O-CG2 3.43Å
88	K	86.4	Confident	89.7	Confident	77 Å²	77	47 Å²	47	34%	0.335	25%	0.245	S	C	.	.	H	α-helix	trans	-83.6	-41.6	175.3	-63.2	174.5	176.4	179.2	0	111.3	S53 P65 E82 L85	S53-K88 PolarHBondContact OG-NZ 3.11Å; P65-K88 CarbonylContact C-O 3.57Å; P65-K88 HydrophobicContact CB-CB 4.49Å; P65-K88 WeakPolarHBondContact CB-O 3.41Å; E82-K88 IonicContact OE1-NZ 3.97Å; E82-K88 PolarHBondContact OE1-NZ 3.04Å; E82-K88 IonicContact OE2-NZ 2.79Å; L85-K88 WeakPolarHBondContact O-CB 3.46Å; L85-K88 PolarHBondContact O-N 3.28Å
89	F	86.5	Confident	89.9	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.009	26%	0.258	C	S	.	.			trans	-104.9	50.5	-174.1	-66.3	-93.1	0	0	0	112.5	L56 L57 P65 I68 L85 S91 L92 F110	L56-F89 HydrophobicContact CB-CE1 3.64Å; L56-F89 HydrophobicContact CB-CE2 3.94Å; L56-F89 HydrophobicContact CB-CZ 3.3Å; L56-F89 HydrophobicContact CD1-CD1 4.15Å; L56-F89 HydrophobicContact CD1-CD2 3.73Å; L56-F89 HydrophobicContact CD1-CE1 4.01Å; L56-F89 HydrophobicContact CD1-CE2 3.62Å; L56-F89 HydrophobicContact CD1-CG 4.02Å; L56-F89 HydrophobicContact CD1-CZ 3.77Å; L56-F89 HydrophobicContact CG-CE1 4.44Å; L56-F89 HydrophobicContact CG-CE2 4.44Å; L56-F89 HydrophobicContact CG-CZ 4.19Å; L57-F89 HydrophobicContact CG-CZ 4.22Å; P65-F89 HydrophobicContact CB-CD1 3.81Å; P65-F89 HydrophobicContact CB-CD2 4.23Å; P65-F89 HydrophobicContact CB-CE1 3.53Å; P65-F89 HydrophobicContact CB-CE2 3.94Å; P65-F89 HydrophobicContact CB-CG 4.15Å; P65-F89 HydrophobicContact CB-CZ 3.58Å; I68-F89 HydrophobicContact CB-CD1 4.1Å; I68-F89 HydrophobicContact CB-CE1 4.32Å; I68-F89 HydrophobicContact CD1-CD1 4.44Å; I68-F89 HydrophobicContact CD1-CE1 3.79Å; I68-F89 HydrophobicContact CG2-CD1 4.2Å; I68-F89 HydrophobicContact CG2-CE1 4.44Å; L85-F89 HydrophobicContact CD1-CD2 3.77Å; L85-F89 HydrophobicContact CD1-CE2 3.6Å; L85-F89 HydrophobicContact CG-CD2 4.06Å; L85-F89 HydrophobicContact CG-CE2 4.35Å; L85-F89 WeakPolarHBondContact O-CD2 3.44Å; L85-F89 PolarHBondContact O-N 3.36Å; F89-S91 PolarHBondContact O-N 3.37Å; F89-S91 VanDerWaalsContact O-N 3.14Å; F89-L92 HydrophobicContact CB-CB 4.35Å; F89-L92 WeakPolarHBondContact O-CB 3.42Å; F89-L92 PolarHBondContact O-N 2.99Å; F89-F110 HydrophobicContact CB-CE1 4.27Å
90	T	86.3	Confident	90.1	Very high	78 Å²	78	45.8 Å²	45.8	48%	0.479	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-22	-174.3	54.1	0	0	0	0	114.8	L87	L87-T90 WeakPolarHBondContact O-CG2 3.43Å
91	S	87	Confident	90.2	Very high	36 Å²	36	44 Å²	44	25%	0.252	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-8.1	177	-69	0	0	0	0	114.5	Q66 I68 F89 R93	Q66-S91 WeakPolarHBondContact O-CB 3.42Å; Q66-S91 PolarHBondContact O-OG 3.13Å; I68-S91 CarbonylContact O-C 3.5Å; F89-S91 PolarHBondContact O-N 3.37Å; F89-S91 VanDerWaalsContact O-N 3.14Å; S91-R93 VanDerWaalsContact C-NH1 3.32Å; S91-R93 WeakPolarHBondContact O-CG 3.37Å; S91-R93 PolarHBondContact O-N 3.12Å; S91-R93 VanDerWaalsContact O-N 3.11Å; S91-R93 PolarHBondContact O-NH1 3.04Å
92	L	90.5	Very high	90.4	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.016	23%	0.234	C	C	.	.			trans	-60.1	117.9	-171.9	-164.5	69.5	0	0	0	111.8	I68 V71 F89 K94 L95 F110 G112 L113	I68-L92 HydrophobicContact CG2-CD1 4.11Å; I68-L92 PolarHBondContact O-N 2.97Å; V71-L92 HydrophobicContact CB-CD1 4.36Å; V71-L92 HydrophobicContact CG1-CD1 3.89Å; V71-L92 HydrophobicContact CG1-CD2 4.5Å; F89-L92 HydrophobicContact CB-CB 4.35Å; F89-L92 WeakPolarHBondContact O-CB 3.42Å; F89-L92 PolarHBondContact O-N 2.99Å; L92-K94 WeakPolarHBondContact CD1-O 3.45Å; L92-L95 HydrophobicContact CD2-CB 4.22Å; L92-F110 HydrophobicContact CB-CD1 4.33Å; L92-F110 HydrophobicContact CD2-CD1 3.83Å; L92-F110 HydrophobicContact CD2-CE1 3.82Å; L92-G112 CarbonylContact O-C 3.39Å; L92-G112 VanDerWaalsContact O-C 3.29Å; L92-L113 HydrophobicContact CD2-CD1 4.32Å; L92-L113 HydrophobicContact CG-CD1 4.23Å; L92-L113 PolarHBondContact O-N 2.97Å
93	R	94.3	Very high	90.6	Very high	118 Å²	118	43.5 Å²	43.5	45%	0.445	24%	0.24	S	C	.	.			trans	-103	-29.2	176.4	-60.5	-53.3	-170.8	-103.4	7.7	112.2	C69 S91 G112 V114 E115	C69-R93 WeakPolarHBondContact O-CA 3.49Å; C69-R93 PolarHBondContact O-N 3.32Å; S91-R93 VanDerWaalsContact C-NH1 3.32Å; S91-R93 WeakPolarHBondContact O-CG 3.37Å; S91-R93 PolarHBondContact O-N 3.12Å; S91-R93 VanDerWaalsContact O-N 3.11Å; S91-R93 PolarHBondContact O-NH1 3.04Å; R93-G112 WeakPolarHBondContact CD-O 3.16Å; R93-V114 PolarHBondContact O-N 3.12Å; R93-E115 PolarHBondContact O-N 2.92Å
94	K	95.1	Very high	91	Very high	54 Å²	54	38.9 Å²	38.9	24%	0.235	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	127.3	-176.4	-178.9	174.6	-166.5	138.9	0	111.9	C69 E70 V71 L92 V96 E115	C69-K94 PolarHBondContact O-N 3.27Å; E70-K94 WeakPolarHBondContact CA-O 3.17Å; E70-K94 HydrophobicContact CB-CB 3.97Å; E70-K94 HydrophobicContact CB-CD 4.31Å; E70-K94 HydrophobicContact CB-CG 4.48Å; E70-K94 HydrophobicContact CG-CB 3.83Å; E70-K94 HydrophobicContact CG-CD 4.18Å; E70-K94 WeakPolarHBondContact OE2-CD 3.4Å; V71-K94 PolarHBondContact N-O 2.94Å; V71-K94 VanDerWaalsContact N-O 3.09Å; L92-K94 WeakPolarHBondContact CD1-O 3.45Å; K94-V96 HydrophobicContact CD-CG2 4.48Å; K94-V96 HydrophobicContact CG-CG2 4.21Å; K94-E115 WeakPolarHBondContact CA-O 3.31Å; K94-E115 HydrophobicContact CB-CB 4.31Å; K94-E115 WeakPolarHBondContact CD-OE2 3.3Å; K94-E115 VanDerWaalsContact CE-OE2 3.25Å; K94-E115 WeakPolarHBondContact CE-OE2 3.24Å; K94-E115 HydrophobicContact CG-CB 4.07Å; K94-E115 IonicContact NZ-OE2 3.82Å; K94-E115 PolarHBondContact NZ-OE2 2.84Å
95	L	94.2	Very high	91.2	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.01	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	115.1	172.6	178	57.7	0	0	0	109.1	V71 V73 L92 A97 L113 E115 L116 D117	V71-L95 HydrophobicContact CG1-CD1 3.57Å; V73-L95 HydrophobicContact CG2-CD1 3.85Å; L92-L95 HydrophobicContact CD2-CB 4.22Å; L95-A97 HydrophobicContact CD1-CB 4.42Å; L95-A97 HydrophobicContact CG-CB 4.29Å; L95-L113 HydrophobicContact CB-CD1 3.89Å; L95-E115 PolarHBondContact N-O 2.9Å; L95-L116 HydrophobicContact CB-CD1 3.98Å; L95-L116 HydrophobicContact CD2-CD1 4Å; L95-L116 HydrophobicContact CG-CD1 4.03Å; L95-L116 WeakPolarHBondContact O-CA 3.48Å; L95-D117 PolarHBondContact O-N 3.3Å
96	V	94.3	Very high	91.4	Very high	31 Å²	31	37.5 Å²	37.5	19%	0.188	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	117.3	170.5	-169.9	0	0	0	0	107.1	V71 D72 V73 K94 D117	V71-V96 PolarHBondContact O-N 3.49Å; D72-V96 WeakPolarHBondContact CA-O 3.5Å; D72-V96 HydrophobicContact CB-CB 4.21Å; V73-V96 WeakPolarHBondContact CG2-O 3.41Å; V73-V96 PolarHBondContact N-O 3.3Å; K94-V96 HydrophobicContact CD-CG2 4.48Å; K94-V96 HydrophobicContact CG-CG2 4.21Å; V96-D117 HydrophobicContact CG1-CB 4.04Å
97	A	94.2	Very high	91.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.194	C	C	.	.			trans	-140.5	37.8	-172.7	0	0	0	0	0	111.4	V73 L95 N100 L102 D117 L118 N121	V73-A97 HydrophobicContact CG2-CB 3.59Å; L95-A97 HydrophobicContact CD1-CB 4.42Å; L95-A97 HydrophobicContact CG-CB 4.29Å; A97-N100 PolarHBondContact O-ND2 2.98Å; A97-L102 HydrophobicContact CB-CD1 3.83Å; A97-D117 CarbonylContact C-O 3.48Å; A97-D117 WeakPolarHBondContact CA-O 3.01Å; A97-D117 PolarHBondContact N-O 3.46Å; A97-L118 HydrophobicContact CB-CD2 4.08Å; A97-N121 PolarHBondContact O-ND2 2.88Å
98	A	94.3	Very high	91.8	Very high	15 Å²	15	33 Å²	33	12%	0.124	18%	0.178	C	C	.	.			trans	-69.4	155.2	-174.4	0	0	0	0	0	112.9	S74 C75 N100 S119	S74-A98 CarbonylContact C-O 3.58Å; S74-A98 WeakPolarHBondContact CA-O 3.46Å; S74-A98 VanDerWaalsContact CB-O 3.24Å; S74-A98 WeakPolarHBondContact CB-O 3.46Å; S74-A98 PolarHBondContact OG-N 2.97Å; C75-A98 PolarHBondContact N-O 3.25Å; A98-N100 VanDerWaalsContact C-N 3.32Å; A98-N100 PolarHBondContact O-N 2.84Å; A98-N100 PolarHBondContact O-ND2 3.11Å; A98-S119 VanDerWaalsContact CA-O 3.27Å; A98-S119 WeakPolarHBondContact CA-O 3.38Å; A98-S119 WeakPolarHBondContact CB-OG 3.35Å
99	D	93.7	Very high	92	Very high	52 Å²	52	32.7 Å²	32.7	28%	0.278	18%	0.18	S	C	.	.	S	Bend	trans	55.4	45.6	175.7	-159.9	48.6	0	0	0	113.1	R20 C75 S119 L120	R20-D99 WeakPolarHBondContact CD-OD1 3.44Å; R20-D99 IonicContact CZ-OD1 3.61Å; R20-D99 IonicContact NE-OD1 3.85Å; R20-D99 IonicContact NH1-OD1 2.6Å; R20-D99 PolarHBondContact NH1-OD1 3.34Å; C75-D99 PolarHBondContact SG-OD2 2.7Å; C75-D99 VanDerWaalsContact SG-OD2 3.4Å; D99-S119 PolarHBondContact N-O 3.05Å; D99-L120 HydrophobicContact CB-CB 3.93Å; D99-L120 HydrophobicContact CB-CD1 4.17Å
100	N	93.7	Very high	92.3	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.021	18%	0.182	C	C	.	.	S	Bend	trans	-115.7	-151.4	168.8	-71	-59	0	0	0	108.8	V73 L76 G77 L78 A97 A98 L102 N121	V73-N100 PolarHBondContact O-ND2 3.43Å; L76-N100 WeakPolarHBondContact CA-OD1 3.39Å; L76-N100 PolarHBondContact N-OD1 3.18Å; G77-N100 PolarHBondContact N-OD1 3.28Å; L78-N100 HydrophobicContact CB-CB 4.06Å; L78-N100 PolarHBondContact N-OD1 3.42Å; A97-N100 PolarHBondContact O-ND2 2.98Å; A98-N100 VanDerWaalsContact C-N 3.32Å; A98-N100 PolarHBondContact O-N 2.84Å; A98-N100 PolarHBondContact O-ND2 3.11Å; N100-L102 HydrophobicContact CB-CD1 4.3Å; N100-L102 HydrophobicContact CB-CG 4.25Å; N100-N121 VanDerWaalsContact CB-OD1 3.27Å; N100-N121 WeakPolarHBondContact CB-OD1 3.38Å; N100-N121 WeakPolarHBondContact O-CA 3.44Å
101	A	93.5	Very high	92.3	Very high	43 Å²	43	33.9 Å²	33.9	36%	0.355	18%	0.183	S	C	.	.			trans	-132.3	24	172	0	0	0	0	0	112	L78 E79 N121	L78-A101 CarbonylContact O-C 3.58Å; L78-A101 WeakPolarHBondContact O-CA 3.26Å; L78-A101 PolarHBondContact O-N 2.81Å; E79-A101 HydrophobicContact CG-CB 4.19Å; A101-N121 PolarHBondContact N-OD1 3.13Å
102	L	93.5	Very high	92.5	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	18%	0.181	C	C	.	.			trans	-71.1	136.4	-175.8	-67.5	164.8	0	0	0	111.6	L78 L81 A97 N100 L118 N121 I123	L78-L102 HydrophobicContact CB-CD1 4.12Å; L78-L102 HydrophobicContact CB-CD2 4Å; L78-L102 HydrophobicContact CB-CG 3.97Å; L78-L102 HydrophobicContact CD1-CD1 4.4Å; L78-L102 PolarHBondContact O-N 3.21Å; L81-L102 HydrophobicContact CD2-CD1 4.35Å; L81-L102 HydrophobicContact CD2-CD2 3.72Å; L81-L102 HydrophobicContact CG-CD2 4.35Å; A97-L102 HydrophobicContact CB-CD1 3.83Å; N100-L102 HydrophobicContact CB-CD1 4.3Å; N100-L102 HydrophobicContact CB-CG 4.25Å; L102-L118 HydrophobicContact CB-CD2 3.92Å; L102-L118 HydrophobicContact CD1-CD2 4.19Å; L102-N121 WeakPolarHBondContact CB-OD1 3.11Å; L102-N121 PolarHBondContact N-OD1 2.89Å; L102-I123 WeakPolarHBondContact O-CD1 3.32Å
103	S	93	Very high	92.8	Very high	48 Å²	48	33 Å²	33	34%	0.336	18%	0.18	S	C	.	.			trans	-75.6	155.1	167.3	91	0	0	0	0	111.5	E105 C106	S103-E105 PolarHBondContact O-N 2.9Å; S103-E105 PolarHBondContact OG-N 3.13Å; S103-C106 PolarHBondContact OG-SG 3.03Å
104	L	93.6	Very high	92.9	Very high	9 Å²	9	29.2 Å²	29.2	5%	0.047	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-60.1	-36.6	172.2	-178	62.8	0	0	0	111.8	C106 C107 L116 L118 L126 F133 L139 L154	L104-C106 PolarHBondContact O-N 3.17Å; L104-C107 PolarHBondContact O-N 3.24Å; L104-C107 VanDerWaalsContact O-N 3.16Å; L104-L116 HydrophobicContact CD1-CD2 3.84Å; L104-L118 HydrophobicContact CB-CD1 4.39Å; L104-L118 HydrophobicContact CD1-CD1 3.81Å; L104-L126 HydrophobicContact CB-CD2 3.72Å; L104-L126 HydrophobicContact CD2-CD1 4.14Å; L104-L126 HydrophobicContact CD2-CD2 3.8Å; L104-L126 HydrophobicContact CG-CD2 4.43Å; L104-F133 HydrophobicContact CD1-CE2 4.17Å; L104-F133 HydrophobicContact CD1-CZ 3.73Å; L104-F133 HydrophobicContact CG-CE2 4.04Å; L104-F133 HydrophobicContact CG-CZ 4.02Å; L104-F133 WeakPolarHBondContact O-CZ 3.48Å; L104-L139 HydrophobicContact CD1-CD1 4.06Å; L104-L139 HydrophobicContact CD1-CD2 4.4Å; L104-L154 HydrophobicContact CD2-CD2 3.74Å
105	E	91	Very high	93.1	Very high	44 Å²	44	29.8 Å²	29.8	21%	0.206	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-60.6	-31.9	-174.1	-63.9	-64.5	150.1	0	0	113.3	S103 C107 K108 S127 S130	S103-E105 PolarHBondContact O-N 2.9Å; S103-E105 PolarHBondContact OG-N 3.13Å; E105-C107 PolarHBondContact O-N 3.24Å; E105-K108 WeakPolarHBondContact O-CD 3.4Å; E105-K108 VanDerWaalsContact O-CG 3.24Å; E105-K108 WeakPolarHBondContact O-CG 3.29Å; E105-K108 PolarHBondContact O-N 2.98Å; E105-K108 WeakPolarHBondContact OE2-CD 3.33Å; E105-K108 IonicContact OE2-NZ 3.57Å; E105-K108 PolarHBondContact OE2-NZ 3.03Å; E105-S127 WeakPolarHBondContact OE1-CB 3.39Å; E105-S127 PolarHBondContact OE1-OG 3.43Å; E105-S130 PolarHBondContact OE2-OG 3.1Å
106	C	90.4	Very high	93.3	Very high	28 Å²	28	29.7 Å²	29.7	19%	0.189	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-58.8	-32.3	-179.8	-51.1	0	0	0	0	111.8	D80 L81 S103 L104	D80-C106 PolarHBondContact OD1-SG 3.44Å; L81-C106 HydrophobicContact CD1-CB 3.87Å; L81-C106 WeakPolarHBondContact CD1-O 3.28Å; L81-C106 HydrophobicContact CG-CB 3.86Å; S103-C106 PolarHBondContact OG-SG 3.03Å; L104-C106 PolarHBondContact O-N 3.17Å
107	C	91.7	Very high	93.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-87.6	-4.2	-174.8	-62.3	0	0	0	0	114.6	L104 E105 N109 F110 L116 F133	L104-C107 PolarHBondContact O-N 3.24Å; L104-C107 VanDerWaalsContact O-N 3.16Å; E105-C107 PolarHBondContact O-N 3.24Å; C107-N109 PolarHBondContact O-N 2.79Å; C107-F110 WeakPolarHBondContact O-CD2 3.4Å; C107-F110 PolarHBondContact O-N 3.01Å; C107-L116 HydrophobicContact CB-CD1 4.39Å; C107-L116 HydrophobicContact CB-CD2 3.73Å; C107-F133 HydrophobicContact CB-CE1 3.85Å; C107-F133 HydrophobicContact CB-CZ 3.94Å; C107-F133 WeakPolarHBondContact O-CE1 3.36Å
108	K	90.8	Very high	93.6	Very high	47 Å²	47	29.5 Å²	29.5	20%	0.204	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-28.5	-165.6	74.2	-168	162.9	-172.4	0	115.9	E105 F110 S130 G132 F133	E105-K108 WeakPolarHBondContact O-CD 3.4Å; E105-K108 VanDerWaalsContact O-CG 3.24Å; E105-K108 WeakPolarHBondContact O-CG 3.29Å; E105-K108 PolarHBondContact O-N 2.98Å; E105-K108 WeakPolarHBondContact OE2-CD 3.33Å; E105-K108 IonicContact OE2-NZ 3.57Å; E105-K108 PolarHBondContact OE2-NZ 3.03Å; K108-F110 VanDerWaalsContact C-N 3.25Å; K108-F110 PolarHBondContact O-N 3.47Å; K108-S130 WeakPolarHBondContact CD-OG 3.48Å; K108-S130 PolarHBondContact NZ-OG 2.97Å; K108-G132 WeakPolarHBondContact O-CA 3.48Å; K108-F133 VanDerWaalsContact CA-CZ 3.48Å; K108-F133 HydrophobicContact CB-CD2 3.73Å; K108-F133 HydrophobicContact CB-CE1 4.42Å; K108-F133 HydrophobicContact CB-CE2 3.42Å; K108-F133 VanDerWaalsContact CB-CE2 3.42Å; K108-F133 HydrophobicContact CB-CG 4.37Å; K108-F133 HydrophobicContact CB-CZ 3.82Å; K108-F133 PolarHBondContact O-N 2.98Å; K108-F133 VanDerWaalsContact O-N 3.1Å
109	N	90.6	Very high	93.8	Very high	72 Å²	72	29.1 Å²	29.1	39%	0.385	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-4.8	-177.7	-62.6	-12	0	0	0	113.4	H86 C107 N111	H86-N109 HydrophobicContact CB-CB 4.16Å; H86-N109 PolarHBondContact CD2-O 3.49Å; C107-N109 PolarHBondContact O-N 2.79Å; N109-N111 VanDerWaalsContact C-N 3.25Å; N109-N111 PolarHBondContact O-N 3.48Å; N109-N111 PolarHBondContact O-OD1 2.92Å
110	F	91.8	Very high	93.8	Very high	12 Å²	12	27.7 Å²	27.7	5%	0.053	16%	0.159	C	C	.	.			trans	-78.8	75.5	174.1	-69.4	-97.4	0	0	0	109.8	L81 L85 H86 F89 L92 C107 K108 G112 L113	L81-F110 HydrophobicContact CD1-CE2 3.88Å; L81-F110 HydrophobicContact CD1-CZ 4.47Å; L85-F110 HydrophobicContact CB-CZ 4.25Å; L85-F110 HydrophobicContact CD2-CZ 4.31Å; L85-F110 HydrophobicContact CG-CZ 4.21Å; H86-F110 HydrophobicContact CB-CD1 3.97Å; H86-F110 HydrophobicContact CB-CD2 4Å; H86-F110 HydrophobicContact CB-CE1 4.03Å; H86-F110 HydrophobicContact CB-CE2 4.06Å; H86-F110 HydrophobicContact CB-CG 3.97Å; H86-F110 HydrophobicContact CB-CZ 4.08Å; F89-F110 HydrophobicContact CB-CE1 4.27Å; L92-F110 HydrophobicContact CB-CD1 4.33Å; L92-F110 HydrophobicContact CD2-CD1 3.83Å; L92-F110 HydrophobicContact CD2-CE1 3.82Å; C107-F110 WeakPolarHBondContact O-CD2 3.4Å; C107-F110 PolarHBondContact O-N 3.01Å; K108-F110 VanDerWaalsContact C-N 3.25Å; K108-F110 PolarHBondContact O-N 3.47Å; F110-G112 PolarHBondContact O-N 3.43Å; F110-L113 HydrophobicContact CB-CB 3.89Å; F110-L113 HydrophobicContact CB-CD2 4.34Å; F110-L113 WeakPolarHBondContact O-CB 3.47Å; F110-L113 PolarHBondContact O-N 2.93Å
111	N	87.5	Confident	93.9	Very high	93 Å²	93	27.6 Å²	27.6	50%	0.497	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-23.8	-171.7	-59.3	-17.5	0	0	0	114.1	N109 S135	N109-N111 VanDerWaalsContact C-N 3.25Å; N109-N111 PolarHBondContact O-N 3.48Å; N109-N111 PolarHBondContact O-OD1 2.92Å; N111-S135 VanDerWaalsContact O-CB 3.28Å; N111-S135 WeakPolarHBondContact O-CB 3.32Å; N111-S135 PolarHBondContact O-OG 2.83Å
112	G	90.5	Very high	93.8	Very high	19 Å²	19	28.5 Å²	28.5	20%	0.196	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-6.5	174.9	0	0	0	0	0	115.6	L92 R93 F110 V114	L92-G112 CarbonylContact O-C 3.39Å; L92-G112 VanDerWaalsContact O-C 3.29Å; R93-G112 WeakPolarHBondContact CD-O 3.16Å; F110-G112 PolarHBondContact O-N 3.43Å; G112-V114 PolarHBondContact O-N 3.23Å
113	L	96	Very high	93.9	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.159	C	C	.	.			trans	-70.9	127	-172.6	-164.4	71.1	0	0	0	111.3	L92 L95 F110 L116 S135 L136	L92-L113 HydrophobicContact CD2-CD1 4.32Å; L92-L113 HydrophobicContact CG-CD1 4.23Å; L92-L113 PolarHBondContact O-N 2.97Å; L95-L113 HydrophobicContact CB-CD1 3.89Å; F110-L113 HydrophobicContact CB-CB 3.89Å; F110-L113 HydrophobicContact CB-CD2 4.34Å; F110-L113 WeakPolarHBondContact O-CB 3.47Å; F110-L113 PolarHBondContact O-N 2.93Å; L113-L116 HydrophobicContact CD2-CB 4Å; L113-L116 HydrophobicContact CD2-CD1 4.22Å; L113-L116 HydrophobicContact CD2-CD2 4.17Å; L113-L116 HydrophobicContact CD2-CG 4.37Å; L113-S135 CarbonylContact O-C 3.47Å; L113-S135 VanDerWaalsContact O-CB 3.31Å; L113-S135 WeakPolarHBondContact O-CB 3.36Å; L113-L136 HydrophobicContact CD2-CD1 4.2Å; L113-L136 HydrophobicContact CG-CD1 4.15Å; L113-L136 VanDerWaalsContact O-CA 3.27Å; L113-L136 WeakPolarHBondContact O-CA 3.31Å; L113-L136 PolarHBondContact O-N 3.27Å; L113-L136 VanDerWaalsContact O-N 3.14Å
114	V	98.1	Very high	93.9	Very high	40 Å²	40	31.3 Å²	31.3	24%	0.242	17%	0.167	C	C	.	.			trans	-110.7	-37.2	-177.7	178.5	0	0	0	0	111.2	R93 G112 Q137 Y138	R93-V114 PolarHBondContact O-N 3.12Å; G112-V114 PolarHBondContact O-N 3.23Å; V114-Q137 HydrophobicContact CG1-CB 4.1Å; V114-Q137 HydrophobicContact CG1-CG 4.49Å; V114-Q137 PolarHBondContact O-N 3.16Å; V114-Y138 PolarHBondContact O-N 3.39Å
115	E	98.5	Very high	93.7	Very high	65 Å²	65	34 Å²	34	30%	0.304	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	129.1	177.9	-50.2	-165.7	161.4	0	0	111.3	R93 K94 L95 Y138	R93-E115 PolarHBondContact O-N 2.92Å; K94-E115 WeakPolarHBondContact CA-O 3.31Å; K94-E115 HydrophobicContact CB-CB 4.31Å; K94-E115 WeakPolarHBondContact CD-OE2 3.3Å; K94-E115 VanDerWaalsContact CE-OE2 3.25Å; K94-E115 WeakPolarHBondContact CE-OE2 3.24Å; K94-E115 HydrophobicContact CG-CB 4.07Å; K94-E115 IonicContact NZ-OE2 3.82Å; K94-E115 PolarHBondContact NZ-OE2 2.84Å; L95-E115 PolarHBondContact N-O 2.9Å; E115-Y138 WeakPolarHBondContact CA-O 3.48Å; E115-Y138 HydrophobicContact CB-CD1 4.22Å; E115-Y138 HydrophobicContact CB-CG 4.4Å; E115-Y138 HydrophobicContact CG-CG 4.41Å
116	L	98.1	Very high	93.8	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	128.1	175.6	179.3	56.1	0	0	0	110.4	L95 L104 C107 L113 L118 F133 L136 Y138 L139 N140	L95-L116 HydrophobicContact CB-CD1 3.98Å; L95-L116 HydrophobicContact CD2-CD1 4Å; L95-L116 HydrophobicContact CG-CD1 4.03Å; L95-L116 WeakPolarHBondContact O-CA 3.48Å; L104-L116 HydrophobicContact CD1-CD2 3.84Å; C107-L116 HydrophobicContact CB-CD1 4.39Å; C107-L116 HydrophobicContact CB-CD2 3.73Å; L113-L116 HydrophobicContact CD2-CB 4Å; L113-L116 HydrophobicContact CD2-CD1 4.22Å; L113-L116 HydrophobicContact CD2-CD2 4.17Å; L113-L116 HydrophobicContact CD2-CG 4.37Å; L116-L118 HydrophobicContact CD1-CD1 4.24Å; L116-L118 HydrophobicContact CD1-CG 3.93Å; L116-L118 HydrophobicContact CD2-CD1 3.81Å; L116-L118 HydrophobicContact CD2-CG 4.32Å; L116-L118 HydrophobicContact CG-CD1 4.07Å; L116-L118 HydrophobicContact CG-CG 4.02Å; L116-F133 HydrophobicContact CD2-CE1 3.84Å; L116-F133 HydrophobicContact CD2-CZ 4.24Å; L116-L136 HydrophobicContact CB-CD1 3.79Å; L116-Y138 PolarHBondContact N-O 3.45Å; L116-L139 HydrophobicContact CB-CD1 4.03Å; L116-L139 HydrophobicContact CD2-CD1 4.01Å; L116-L139 HydrophobicContact CG-CD1 4.01Å; L116-L139 WeakPolarHBondContact O-CA 3.43Å; L116-N140 PolarHBondContact O-N 3.37Å
117	D	98.1	Very high	93.7	Very high	27 Å²	27	33.8 Å²	33.8	14%	0.144	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	108.8	170.3	-157.6	-42.7	0	0	0	110.7	L95 V96 A97 S119 N140	L95-D117 PolarHBondContact O-N 3.3Å; V96-D117 HydrophobicContact CG1-CB 4.04Å; A97-D117 CarbonylContact C-O 3.48Å; A97-D117 WeakPolarHBondContact CA-O 3.01Å; A97-D117 PolarHBondContact N-O 3.46Å; D117-S119 VanDerWaalsContact OD1-CB 3.26Å; D117-S119 WeakPolarHBondContact OD1-CB 3.45Å; D117-S119 PolarHBondContact OD1-N 3.18Å; D117-S119 PolarHBondContact OD1-OG 2.74Å; D117-N140 HydrophobicContact CB-CB 4.32Å; D117-N140 VanDerWaalsContact CG-ND2 3.27Å; D117-N140 PolarHBondContact OD1-ND2 3.27Å; D117-N140 VanDerWaalsContact OD1-ND2 3.16Å; D117-N140 PolarHBondContact OD2-ND2 3.44Å
118	L	97.5	Very high	93.1	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.228	C	C	.	.			trans	-119.6	33.6	172	-71	171.8	0	0	0	109.9	A97 L102 L104 L116 I123 N140 L141 N144	A97-L118 HydrophobicContact CB-CD2 4.08Å; L102-L118 HydrophobicContact CB-CD2 3.92Å; L102-L118 HydrophobicContact CD1-CD2 4.19Å; L104-L118 HydrophobicContact CB-CD1 4.39Å; L104-L118 HydrophobicContact CD1-CD1 3.81Å; L116-L118 HydrophobicContact CD1-CD1 4.24Å; L116-L118 HydrophobicContact CD1-CG 3.93Å; L116-L118 HydrophobicContact CD2-CD1 3.81Å; L116-L118 HydrophobicContact CD2-CG 4.32Å; L116-L118 HydrophobicContact CG-CD1 4.07Å; L116-L118 HydrophobicContact CG-CG 4.02Å; L118-I123 HydrophobicContact CB-CD1 4.23Å; L118-N140 CarbonylContact C-O 3.55Å; L118-N140 WeakPolarHBondContact CA-O 3.4Å; L118-N140 PolarHBondContact N-O 2.64Å; L118-L141 HydrophobicContact CB-CD2 3.89Å; L118-N144 PolarHBondContact O-ND2 3.32Å
119	S	97.4	Very high	92.3	Very high	6 Å²	6	44.3 Å²	44.3	4%	0.042	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	154.4	169.2	57.5	0	0	0	0	111.1	A98 D99 D117 N121 N140 S142	A98-S119 VanDerWaalsContact CA-O 3.27Å; A98-S119 WeakPolarHBondContact CA-O 3.38Å; A98-S119 WeakPolarHBondContact CB-OG 3.35Å; D99-S119 PolarHBondContact N-O 3.05Å; D117-S119 VanDerWaalsContact OD1-CB 3.26Å; D117-S119 WeakPolarHBondContact OD1-CB 3.45Å; D117-S119 PolarHBondContact OD1-N 3.18Å; D117-S119 PolarHBondContact OD1-OG 2.74Å; S119-N121 PolarHBondContact O-N 2.93Å; S119-N121 PolarHBondContact O-ND2 2.82Å; S119-N140 PolarHBondContact N-O 3.37Å; S119-S142 CarbonylContact C-O 3.55Å; S119-S142 WeakPolarHBondContact CA-O 3.5Å; S119-S142 VanDerWaalsContact CB-O 3.22Å; S119-S142 WeakPolarHBondContact CB-O 3.28Å
120	L	94.9	Very high	91.6	Very high	22 Å²	22	42.4 Å²	42.4	12%	0.115	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	4.9	176.5	-65.2	167.7	0	0	0	116.6	P7 R20 D99 Q122 S142 Y143	P7-L120 HydrophobicContact CB-CD2 3.69Å; P7-L120 HydrophobicContact CG-CD2 3.87Å; R20-L120 PolarHBondContact NH1-O 3.33Å; D99-L120 HydrophobicContact CB-CB 3.93Å; D99-L120 HydrophobicContact CB-CD1 4.17Å; L120-Q122 PolarHBondContact O-N 3Å; L120-Q122 VanDerWaalsContact O-N 3.16Å; L120-S142 PolarHBondContact N-O 3.24Å; L120-Y143 VanDerWaalsContact CD2-CB 3.45Å; L120-Y143 HydrophobicContact CD2-CG 4.26Å
121	N	94.9	Very high	91.2	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.016	25%	0.246	C	C	.	.	S	Bend	trans	-77.4	12.7	-174.9	-87.9	-99.2	0	0	0	116.1	A97 N100 A101 L102 S119 I123 N144	A97-N121 PolarHBondContact O-ND2 2.88Å; N100-N121 VanDerWaalsContact CB-OD1 3.27Å; N100-N121 WeakPolarHBondContact CB-OD1 3.38Å; N100-N121 WeakPolarHBondContact O-CA 3.44Å; A101-N121 PolarHBondContact N-OD1 3.13Å; L102-N121 WeakPolarHBondContact CB-OD1 3.11Å; L102-N121 PolarHBondContact N-OD1 2.89Å; S119-N121 PolarHBondContact O-N 2.93Å; S119-N121 PolarHBondContact O-ND2 2.82Å; N121-I123 HydrophobicContact CB-CD1 4.01Å; N121-I123 HydrophobicContact CB-CG1 3.89Å; N121-I123 PolarHBondContact O-N 2.94Å; N121-I123 VanDerWaalsContact O-N 3.08Å; N121-N144 WeakPolarHBondContact CA-OD1 3.32Å; N121-N144 PolarHBondContact N-OD1 3.14Å
122	Q	92.1	Very high	91.2	Very high	62 Å²	62	42 Å²	42	29%	0.29	23%	0.225	S	C	.	.			trans	60.3	16.7	177.9	-53.5	177.4	86.2	0	0	114.9	L120 N124 N144 F145	L120-Q122 PolarHBondContact O-N 3Å; L120-Q122 VanDerWaalsContact O-N 3.16Å; Q122-N124 PolarHBondContact O-N 3.27Å; Q122-N124 VanDerWaalsContact O-N 3.14Å; Q122-N144 PolarHBondContact N-OD1 3.04Å; Q122-F145 HydrophobicContact CB-CD2 4.41Å; Q122-F145 HydrophobicContact CB-CE2 4.07Å; Q122-F145 HydrophobicContact CG-CE2 4.34Å
123	I	95	Very high	91.4	Very high	12 Å²	12	41.7 Å²	41.7	6%	0.062	22%	0.218	C	C	.	.			trans	-65.3	113.1	-175.4	-54.7	172.2	0	0	0	110.2	L102 L118 N121 S125 L126 L141 N144 F145 L146	L102-I123 WeakPolarHBondContact O-CD1 3.32Å; L118-I123 HydrophobicContact CB-CD1 4.23Å; N121-I123 HydrophobicContact CB-CD1 4.01Å; N121-I123 HydrophobicContact CB-CG1 3.89Å; N121-I123 PolarHBondContact O-N 2.94Å; N121-I123 VanDerWaalsContact O-N 3.08Å; I123-S125 WeakPolarHBondContact CG2-O 3.04Å; I123-L126 HydrophobicContact CG2-CD2 3.85Å; I123-L141 HydrophobicContact CD1-CD2 3.72Å; I123-N144 HydrophobicContact CB-CB 4.14Å; I123-N144 PolarHBondContact N-OD1 3.01Å; I123-N144 WeakPolarHBondContact O-CB 3.41Å; I123-F145 CarbonylContact O-C 3.46Å; I123-F145 WeakPolarHBondContact O-CA 3.46Å; I123-F145 PolarHBondContact O-N 3.15Å; I123-L146 HydrophobicContact CB-CD2 4.39Å; I123-L146 HydrophobicContact CG2-CD2 3.74Å; I123-L146 PolarHBondContact O-N 3.04Å
124	N	93.1	Very high	91.2	Very high	95 Å²	95	46 Å²	46	51%	0.508	24%	0.242	S	C	.	.			trans	-101.8	-9.3	-174.5	66.4	26	0	0	0	114.8	Q122 F145	Q122-N124 PolarHBondContact O-N 3.27Å; Q122-N124 VanDerWaalsContact O-N 3.14Å; N124-F145 HydrophobicContact CB-CB 4.04Å
125	S	90.7	Very high	91.1	Very high	65 Å²	65	46.2 Å²	46.2	46%	0.455	25%	0.245	S	C	.	.			trans	-164.7	157.4	-177.9	55.5	0	0	0	0	109.5	I123 D150	I123-S125 WeakPolarHBondContact CG2-O 3.04Å; S125-D150 WeakPolarHBondContact CA-OD1 3.41Å
126	L	92.5	Very high	91	Very high	16 Å²	16	43.1 Å²	43.1	8%	0.084	23%	0.23	C	C	.	.			trans	-117.5	151.5	172.1	-64.5	176.1	0	0	0	110.8	L104 I123 L146 D150 K153 L154	L104-L126 HydrophobicContact CB-CD2 3.72Å; L104-L126 HydrophobicContact CD2-CD1 4.14Å; L104-L126 HydrophobicContact CD2-CD2 3.8Å; L104-L126 HydrophobicContact CG-CD2 4.43Å; I123-L126 HydrophobicContact CG2-CD2 3.85Å; L126-L146 HydrophobicContact CD1-CD2 4.17Å; L126-L146 HydrophobicContact CD2-CD2 4.23Å; L126-L146 HydrophobicContact CG-CD2 3.81Å; L126-D150 HydrophobicContact CB-CB 4.27Å; L126-D150 HydrophobicContact CD1-CB 4.12Å; L126-D150 HydrophobicContact CG-CB 4.11Å; L126-D150 PolarHBondContact N-OD1 2.92Å; L126-K153 HydrophobicContact CB-CD 3.96Å; L126-K153 WeakPolarHBondContact O-CD 3.27Å; L126-K153 PolarHBondContact O-NZ 2.68Å; L126-L154 HydrophobicContact CD1-CD1 4.2Å; L126-L154 HydrophobicContact CD1-CD2 3.53Å; L126-L154 HydrophobicContact CD1-CG 3.61Å
127	S	87	Confident	91.1	Very high	52 Å²	52	46.2 Å²	46.2	36%	0.364	25%	0.245	S	C	.	.			trans	-74.2	170	179.9	102.6	0	0	0	0	111.9	E105 Y129 K153	E105-S127 WeakPolarHBondContact OE1-CB 3.39Å; E105-S127 PolarHBondContact OE1-OG 3.43Å; S127-Y129 PolarHBondContact O-N 3.49Å; S127-K153 WeakPolarHBondContact O-CD 3.2Å
128	R	80.2	Confident	91.1	Very high	216 Å²	216	47.5 Å²	47.5	82%	0.815	25%	0.248	S	C	*	.	S	Bend	trans	-63.1	135.4	170	178.9	-179.7	-69.5	-151.5	0.1	108.3	S130	R128-S130 PolarHBondContact O-N 3.18Å
129	Y	74.3	Confident	91.1	Very high	52 Å²	52	47.5 Å²	47.5	20%	0.204	25%	0.248	C	C	.	.			trans	-41.7	126.7	179.2	170.6	-98	0	0	0	112.2	S127 Y156 T183	S127-Y129 PolarHBondContact O-N 3.49Å; Y129-Y156 HydrophobicContact CD1-CD1 4.39Å; Y129-Y156 HydrophobicContact CD2-CG 4.16Å; Y129-Y156 HydrophobicContact CG-CD1 4.23Å; Y129-Y156 AromaticContact CG-CG 3.98Å; Y129-Y156 HydrophobicContact CG-CG 3.98Å; Y129-T183 HydrophobicContact CD1-CG2 3.8Å; Y129-T183 HydrophobicContact CE1-CG2 3.55Å
130	S	75.4	Confident	91.2	Very high	33 Å²	33	47.8 Å²	47.8	23%	0.231	25%	0.249	C	C	.	.			trans	-125.6	150.3	170.3	62.2	0	0	0	0	109.5	E105 K108 R128	E105-S130 PolarHBondContact OE2-OG 3.1Å; K108-S130 WeakPolarHBondContact CD-OG 3.48Å; K108-S130 PolarHBondContact NZ-OG 2.97Å; R128-S130 PolarHBondContact O-N 3.18Å
131	P	83.5	Confident	91.4	Very high	91 Å²	91	46.8 Å²	46.8	59%	0.591	24%	0.243	S	C	*	.	S	Bend	trans	-57.8	141.5	-178	-25.8	35.4	0	0	0	113.2
132	G	88.2	Confident	91.5	Very high	6 Å²	6	46.8 Å²	46.8	6%	0.062	24%	0.244	C	C	.	.			trans	148	-176.4	-177	0	0	0	0	0	111.5	K108 D134	K108-G132 WeakPolarHBondContact O-CA 3.48Å; G132-D134 PolarHBondContact O-N 2.99Å
133	F	93.3	Very high	91.7	Very high	11 Å²	11	46.6 Å²	46.6	5%	0.048	24%	0.241	C	C	.	.			trans	56.6	27.1	178.8	-63.3	-63.8	0	0	0	116	L104 C107 K108 L116 S135 L136 L157	L104-F133 HydrophobicContact CD1-CE2 4.17Å; L104-F133 HydrophobicContact CD1-CZ 3.73Å; L104-F133 HydrophobicContact CG-CE2 4.04Å; L104-F133 HydrophobicContact CG-CZ 4.02Å; L104-F133 WeakPolarHBondContact O-CZ 3.48Å; C107-F133 HydrophobicContact CB-CE1 3.85Å; C107-F133 HydrophobicContact CB-CZ 3.94Å; C107-F133 WeakPolarHBondContact O-CE1 3.36Å; K108-F133 VanDerWaalsContact CA-CZ 3.48Å; K108-F133 HydrophobicContact CB-CD2 3.73Å; K108-F133 HydrophobicContact CB-CE1 4.42Å; K108-F133 HydrophobicContact CB-CE2 3.42Å; K108-F133 VanDerWaalsContact CB-CE2 3.42Å; K108-F133 HydrophobicContact CB-CG 4.37Å; K108-F133 HydrophobicContact CB-CZ 3.82Å; K108-F133 PolarHBondContact O-N 2.98Å; K108-F133 VanDerWaalsContact O-N 3.1Å; L116-F133 HydrophobicContact CD2-CE1 3.84Å; L116-F133 HydrophobicContact CD2-CZ 4.24Å; F133-S135 PolarHBondContact O-N 3.28Å; F133-S135 VanDerWaalsContact O-N 3.1Å; F133-L136 HydrophobicContact CB-CB 3.95Å; F133-L136 HydrophobicContact CB-CD2 4.31Å; F133-L136 HydrophobicContact CD1-CB 4.27Å; F133-L136 HydrophobicContact CD1-CD2 3.79Å; F133-L136 HydrophobicContact CD1-CG 4.43Å; F133-L136 HydrophobicContact CE1-CD2 4.28Å; F133-L136 HydrophobicContact CG-CD2 4.16Å; F133-L136 WeakPolarHBondContact O-CB 3.46Å; F133-L136 PolarHBondContact O-N 3.41Å; F133-L157 HydrophobicContact CB-CD2 3.65Å; F133-L157 HydrophobicContact CD2-CD2 3.61Å; F133-L157 HydrophobicContact CE2-CD2 4.49Å; F133-L157 HydrophobicContact CG-CD2 3.9Å
134	D	92.3	Very high	91.8	Very high	92 Å²	92	46.1 Å²	46.1	49%	0.492	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-37	-175	-63.4	-52.3	0	0	0	114.5	G132 S159	G132-D134 PolarHBondContact O-N 2.99Å; D134-S159 WeakPolarHBondContact O-CB 3.3Å; D134-S159 PolarHBondContact O-OG 3.15Å
135	S	95.8	Very high	91.9	Very high	44 Å²	44	44.5 Å²	44.5	31%	0.308	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-9.2	-179.3	-60.9	0	0	0	0	114.7	N111 L113 F133 Q137	N111-S135 VanDerWaalsContact O-CB 3.28Å; N111-S135 WeakPolarHBondContact O-CB 3.32Å; N111-S135 PolarHBondContact O-OG 2.83Å; L113-S135 CarbonylContact O-C 3.47Å; L113-S135 VanDerWaalsContact O-CB 3.31Å; L113-S135 WeakPolarHBondContact O-CB 3.36Å; F133-S135 PolarHBondContact O-N 3.28Å; F133-S135 VanDerWaalsContact O-N 3.1Å; S135-Q137 PolarHBondContact O-N 3.39Å
136	L	97.7	Very high	92.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.206	C	C	.	.			trans	-70.4	120	-165.9	-168	76	0	0	0	111.4	L113 L116 F133 L139 S159 L160	L113-L136 HydrophobicContact CD2-CD1 4.2Å; L113-L136 HydrophobicContact CG-CD1 4.15Å; L113-L136 VanDerWaalsContact O-CA 3.27Å; L113-L136 WeakPolarHBondContact O-CA 3.31Å; L113-L136 PolarHBondContact O-N 3.27Å; L113-L136 VanDerWaalsContact O-N 3.14Å; L116-L136 HydrophobicContact CB-CD1 3.79Å; F133-L136 HydrophobicContact CB-CB 3.95Å; F133-L136 HydrophobicContact CB-CD2 4.31Å; F133-L136 HydrophobicContact CD1-CB 4.27Å; F133-L136 HydrophobicContact CD1-CD2 3.79Å; F133-L136 HydrophobicContact CD1-CG 4.43Å; F133-L136 HydrophobicContact CE1-CD2 4.28Å; F133-L136 HydrophobicContact CG-CD2 4.16Å; F133-L136 WeakPolarHBondContact O-CB 3.46Å; F133-L136 PolarHBondContact O-N 3.41Å; L136-L139 HydrophobicContact CD2-CB 4.24Å; L136-L139 HydrophobicContact CD2-CD1 4.42Å; L136-L139 HydrophobicContact CD2-CD2 4.25Å; L136-S159 CarbonylContact O-C 3.35Å; L136-S159 VanDerWaalsContact O-CB 3.28Å; L136-S159 WeakPolarHBondContact O-CB 3.49Å; L136-L160 WeakPolarHBondContact O-CA 3.49Å; L136-L160 PolarHBondContact O-N 2.97Å; L136-L160 VanDerWaalsContact O-N 3.14Å
137	Q	98.6	Very high	92.3	Very high	66 Å²	66	46.9 Å²	46.9	31%	0.308	23%	0.231	S	C	.	.			trans	-115.2	-30.9	-177.9	-75.1	175.3	80.8	0	0	113	V114 S135 S159 R161 I162	V114-Q137 HydrophobicContact CG1-CB 4.1Å; V114-Q137 HydrophobicContact CG1-CG 4.49Å; V114-Q137 PolarHBondContact O-N 3.16Å; S135-Q137 PolarHBondContact O-N 3.39Å; Q137-S159 WeakPolarHBondContact CG-O 3.44Å; Q137-R161 HydrophobicContact CG-CG 4.44Å; Q137-R161 PolarHBondContact O-N 3.23Å; Q137-R161 VanDerWaalsContact OE1-CD 3.25Å; Q137-I162 PolarHBondContact O-N 3.21Å
138	Y	98.7	Very high	92.6	Very high	54 Å²	54	46.3 Å²	46.3	21%	0.212	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	126.6	178.1	179.5	-74	0	0	0	109.6	V114 E115 L116 N140 I162 Y164	V114-Y138 PolarHBondContact O-N 3.39Å; E115-Y138 WeakPolarHBondContact CA-O 3.48Å; E115-Y138 HydrophobicContact CB-CD1 4.22Å; E115-Y138 HydrophobicContact CB-CG 4.4Å; E115-Y138 HydrophobicContact CG-CG 4.41Å; L116-Y138 PolarHBondContact N-O 3.45Å; Y138-N140 HydrophobicContact CE1-CB 3.98Å; Y138-I162 WeakPolarHBondContact CA-O 3.47Å; Y138-I162 HydrophobicContact CD2-CB 3.98Å; Y138-I162 HydrophobicContact CD2-CD1 4.18Å; Y138-I162 HydrophobicContact CD2-CG2 3.73Å; Y138-I162 HydrophobicContact CE2-CG2 4.03Å; Y138-Y164 HydrophobicContact CD2-CE2 4.3Å; Y138-Y164 HydrophobicContact CE2-CD2 4.17Å; Y138-Y164 AromaticContact CE2-CE2 3.45Å; Y138-Y164 HydrophobicContact CE2-CE2 3.45Å; Y138-Y164 VanDerWaalsContact CE2-CE2 3.45Å; Y138-Y164 AromaticContact CZ-CD2 3.96Å; Y138-Y164 AromaticContact CZ-CE2 3.6Å; Y138-Y164 WeakPolarHBondContact OH-CE2 3.37Å
139	L	98.6	Very high	93.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	122.5	174.8	-179.2	54.7	0	0	0	110.2	L104 L116 L136 L141 L154 L157 L160 I162 L163 Y164	L104-L139 HydrophobicContact CD1-CD1 4.06Å; L104-L139 HydrophobicContact CD1-CD2 4.4Å; L116-L139 HydrophobicContact CB-CD1 4.03Å; L116-L139 HydrophobicContact CD2-CD1 4.01Å; L116-L139 HydrophobicContact CG-CD1 4.01Å; L116-L139 WeakPolarHBondContact O-CA 3.43Å; L136-L139 HydrophobicContact CD2-CB 4.24Å; L136-L139 HydrophobicContact CD2-CD1 4.42Å; L136-L139 HydrophobicContact CD2-CD2 4.25Å; L139-L141 HydrophobicContact CD1-CD1 4.26Å; L139-L141 HydrophobicContact CD1-CG 4.04Å; L139-L141 HydrophobicContact CD2-CD1 3.73Å; L139-L141 HydrophobicContact CD2-CG 4.38Å; L139-L141 HydrophobicContact CG-CD1 3.87Å; L139-L141 HydrophobicContact CG-CG 3.99Å; L139-L154 HydrophobicContact CD2-CD2 3.84Å; L139-L157 HydrophobicContact CD2-CD1 3.69Å; L139-L160 HydrophobicContact CB-CD1 3.68Å; L139-I162 PolarHBondContact N-O 2.99Å; L139-L163 HydrophobicContact CB-CD1 4.18Å; L139-L163 HydrophobicContact CD2-CD1 4.31Å; L139-L163 HydrophobicContact CG-CD1 4.19Å; L139-L163 WeakPolarHBondContact O-CA 3.39Å; L139-Y164 PolarHBondContact O-N 2.83Å
140	N	98.7	Very high	94.3	Very high	12 Å²	12	36.4 Å²	36.4	6%	0.064	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	121	169.7	-177.6	13.4	0	0	0	110.4	L116 D117 L118 S119 Y138 S142 Y164	L116-N140 PolarHBondContact O-N 3.37Å; D117-N140 HydrophobicContact CB-CB 4.32Å; D117-N140 VanDerWaalsContact CG-ND2 3.27Å; D117-N140 PolarHBondContact OD1-ND2 3.27Å; D117-N140 VanDerWaalsContact OD1-ND2 3.16Å; D117-N140 PolarHBondContact OD2-ND2 3.44Å; L118-N140 CarbonylContact C-O 3.55Å; L118-N140 WeakPolarHBondContact CA-O 3.4Å; L118-N140 PolarHBondContact N-O 2.64Å; S119-N140 PolarHBondContact N-O 3.37Å; Y138-N140 HydrophobicContact CE1-CB 3.98Å; N140-S142 VanDerWaalsContact OD1-CB 3.22Å; N140-S142 WeakPolarHBondContact OD1-CB 3.26Å; N140-S142 PolarHBondContact OD1-N 3.42Å; N140-S142 PolarHBondContact OD1-OG 3.17Å; N140-Y164 HydrophobicContact CB-CD2 4.46Å; N140-Y164 WeakPolarHBondContact OD1-CB 3.22Å
141	L	98.3	Very high	95.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.191	C	C	.	.			trans	-127.6	25.8	177.1	-73.8	166.7	0	0	0	110.7	L118 I123 L139 N144 L146 L154 Y164 L165 N168	L118-L141 HydrophobicContact CB-CD2 3.89Å; I123-L141 HydrophobicContact CD1-CD2 3.72Å; L139-L141 HydrophobicContact CD1-CD1 4.26Å; L139-L141 HydrophobicContact CD1-CG 4.04Å; L139-L141 HydrophobicContact CD2-CD1 3.73Å; L139-L141 HydrophobicContact CD2-CG 4.38Å; L139-L141 HydrophobicContact CG-CD1 3.87Å; L139-L141 HydrophobicContact CG-CG 3.99Å; L141-N144 PolarHBondContact O-ND2 3.06Å; L141-L146 HydrophobicContact CB-CD1 3.86Å; L141-L146 HydrophobicContact CD1-CD1 4.04Å; L141-L146 HydrophobicContact CG-CD1 4.42Å; L141-L154 HydrophobicContact CD1-CD1 3.77Å; L141-L154 HydrophobicContact CD1-CD2 3.81Å; L141-L154 HydrophobicContact CD1-CG 4.44Å; L141-Y164 CarbonylContact C-O 3.2Å; L141-Y164 WeakPolarHBondContact CA-O 3.46Å; L141-Y164 PolarHBondContact N-O 2.98Å; L141-L165 HydrophobicContact CB-CD2 4.08Å; L141-N168 PolarHBondContact O-ND2 3.17Å
142	S	98.2	Very high	95.6	Very high	4 Å²	4	34 Å²	34	3%	0.028	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	148.8	-179	-55.1	0	0	0	0	113	S119 L120 N140 N144 Y164 S166	S119-S142 CarbonylContact C-O 3.55Å; S119-S142 WeakPolarHBondContact CA-O 3.5Å; S119-S142 VanDerWaalsContact CB-O 3.22Å; S119-S142 WeakPolarHBondContact CB-O 3.28Å; L120-S142 PolarHBondContact N-O 3.24Å; N140-S142 VanDerWaalsContact OD1-CB 3.22Å; N140-S142 WeakPolarHBondContact OD1-CB 3.26Å; N140-S142 PolarHBondContact OD1-N 3.42Å; N140-S142 PolarHBondContact OD1-OG 3.17Å; S142-N144 PolarHBondContact O-N 3.21Å; S142-Y164 WeakPolarHBondContact OG-CB 3.42Å; S142-S166 CarbonylContact C-O 3.57Å; S142-S166 WeakPolarHBondContact CA-O 3.37Å; S142-S166 WeakPolarHBondContact CB-O 3.13Å; S142-S166 PolarHBondContact OG-N 3.44Å
143	Y	96.5	Very high	95.9	Very high	58 Å²	58	36.7 Å²	36.7	23%	0.227	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	33.8	177.1	-52.4	-74.6	0	0	0	114	Y4 L120 S166 D202	Y4-Y143 HydrophobicContact CE1-CD2 4.44Å; Y4-Y143 AromaticContact CE1-CE2 3.82Å; Y4-Y143 HydrophobicContact CE1-CE2 3.82Å; Y4-Y143 WeakPolarHBondContact OH-CE2 3.45Å; L120-Y143 VanDerWaalsContact CD2-CB 3.45Å; L120-Y143 HydrophobicContact CD2-CG 4.26Å; Y143-S166 PolarHBondContact N-O 3.48Å; Y143-D202 HydrophobicContact CE1-CB 4.49Å; Y143-D202 PolarHBondContact OH-OD2 2.75Å
144	N	95.9	Very high	96	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	19%	0.187	C	C	.	.	S	Bend	trans	-94.1	-164.8	161.3	-73	-64.8	0	0	0	109.6	L118 N121 Q122 I123 L141 S142 L146 N168	L118-N144 PolarHBondContact O-ND2 3.32Å; N121-N144 WeakPolarHBondContact CA-OD1 3.32Å; N121-N144 PolarHBondContact N-OD1 3.14Å; Q122-N144 PolarHBondContact N-OD1 3.04Å; I123-N144 HydrophobicContact CB-CB 4.14Å; I123-N144 PolarHBondContact N-OD1 3.01Å; I123-N144 WeakPolarHBondContact O-CB 3.41Å; L141-N144 PolarHBondContact O-ND2 3.06Å; S142-N144 PolarHBondContact O-N 3.21Å; N144-L146 HydrophobicContact CB-CG 4.3Å; N144-N168 WeakPolarHBondContact CA-OD1 3.29Å; N144-N168 VanDerWaalsContact CB-OD1 3.28Å; N144-N168 WeakPolarHBondContact CB-OD1 3.16Å; N144-N168 PolarHBondContact O-OD1 3.35Å
145	F	95.8	Very high	96.1	Very high	62 Å²	62	32 Å²	32	27%	0.272	16%	0.164	S	C	.	.			trans	-121	30.4	-178.9	-55.2	-63.7	0	0	0	112.6	L10 Q122 I123 N124 N168	L10-F145 HydrophobicContact CD1-CE1 3.69Å; L10-F145 HydrophobicContact CD1-CZ 3.69Å; L10-F145 HydrophobicContact CD2-CZ 3.9Å; L10-F145 HydrophobicContact CG-CZ 4.47Å; Q122-F145 HydrophobicContact CB-CD2 4.41Å; Q122-F145 HydrophobicContact CB-CE2 4.07Å; Q122-F145 HydrophobicContact CG-CE2 4.34Å; I123-F145 CarbonylContact O-C 3.46Å; I123-F145 WeakPolarHBondContact O-CA 3.46Å; I123-F145 PolarHBondContact O-N 3.15Å; N124-F145 HydrophobicContact CB-CB 4.04Å; F145-N168 PolarHBondContact N-OD1 3Å
146	L	97	Very high	95.9	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.021	16%	0.156	C	C	.	.			trans	-63.1	145.5	-174.8	-65	172	0	0	0	112.4	I123 L126 L141 N144 D150 L165 N168 L170	I123-L146 HydrophobicContact CB-CD2 4.39Å; I123-L146 HydrophobicContact CG2-CD2 3.74Å; I123-L146 PolarHBondContact O-N 3.04Å; L126-L146 HydrophobicContact CD1-CD2 4.17Å; L126-L146 HydrophobicContact CD2-CD2 4.23Å; L126-L146 HydrophobicContact CG-CD2 3.81Å; L141-L146 HydrophobicContact CB-CD1 3.86Å; L141-L146 HydrophobicContact CD1-CD1 4.04Å; L141-L146 HydrophobicContact CG-CD1 4.42Å; N144-L146 HydrophobicContact CB-CG 4.3Å; L146-D150 HydrophobicContact CB-CB 4.4Å; L146-D150 HydrophobicContact CD2-CB 4Å; L146-L165 HydrophobicContact CD1-CD2 3.65Å; L146-N168 HydrophobicContact CB-CB 4.46Å; L146-N168 WeakPolarHBondContact CB-OD1 3.49Å; L146-N168 WeakPolarHBondContact CG-OD1 3.23Å; L146-N168 PolarHBondContact N-OD1 3.06Å; L146-N168 VanDerWaalsContact N-OD1 3.09Å; L146-L170 WeakPolarHBondContact O-CD2 3.44Å
147	Q	94.7	Very high	95.8	Very high	127 Å²	127	32.2 Å²	32.2	59%	0.593	16%	0.16	S	C	*	.			trans	-106	170.2	179	-52.2	-170.3	31.6	0	0	111.7	A149 D150 I151	Q147-A149 VanDerWaalsContact C-N 3.27Å; Q147-A149 PolarHBondContact O-N 3.4Å; Q147-D150 WeakPolarHBondContact CB-OD2 3.33Å; Q147-D150 PolarHBondContact N-OD2 3.1Å; Q147-D150 WeakPolarHBondContact O-CB 3.22Å; Q147-D150 PolarHBondContact O-N 3.3Å; Q147-I151 PolarHBondContact O-N 2.85Å
148	S	94	Very high	95.5	Very high	39 Å²	39	31.2 Å²	31.2	27%	0.273	16%	0.159	S	C	.	.	H	α-helix	trans	-50.9	-46.2	179	-177.1	0	0	0	0	112.4	D150 I151 K172 L173 P174	S148-D150 PolarHBondContact O-N 2.94Å; S148-I151 WeakPolarHBondContact O-CB 3.47Å; S148-I151 PolarHBondContact O-N 3.42Å; S148-K172 WeakPolarHBondContact CB-O 3.49Å; S148-K172 PolarHBondContact OG-O 2.95Å; S148-L173 PolarHBondContact OG-O 2.93Å; S148-P174 VanDerWaalsContact O-CG 3.24Å; S148-P174 WeakPolarHBondContact O-CG 3.45Å; S148-P174 WeakPolarHBondContact OG-CD 3.4Å; S148-P174 VanDerWaalsContact OG-N 3.07Å
149	A	93.1	Very high	95.4	Very high	56 Å²	56	29.6 Å²	29.6	46%	0.463	16%	0.156	S	C	.	.	H	α-helix	trans	-64	-19.1	178.6	0	0	0	0	0	114.1	Q147 K153	Q147-A149 VanDerWaalsContact C-N 3.27Å; Q147-A149 PolarHBondContact O-N 3.4Å; A149-K153 VanDerWaalsContact O-CE 3.28Å; A149-K153 WeakPolarHBondContact O-CE 3.5Å; A149-K153 WeakPolarHBondContact O-CG 3.32Å
150	D	95.5	Very high	95.3	Very high	5 Å²	5	29.8 Å²	29.8	3%	0.027	16%	0.156	C	C	.	.	H	α-helix	trans	-83.5	-32.1	177	-55.7	-59.2	0	0	0	112.2	S125 L126 L146 Q147 S148 E152 K153 L154	S125-D150 WeakPolarHBondContact CA-OD1 3.41Å; L126-D150 HydrophobicContact CB-CB 4.27Å; L126-D150 HydrophobicContact CD1-CB 4.12Å; L126-D150 HydrophobicContact CG-CB 4.11Å; L126-D150 PolarHBondContact N-OD1 2.92Å; L146-D150 HydrophobicContact CB-CB 4.4Å; L146-D150 HydrophobicContact CD2-CB 4Å; Q147-D150 WeakPolarHBondContact CB-OD2 3.33Å; Q147-D150 PolarHBondContact N-OD2 3.1Å; Q147-D150 WeakPolarHBondContact O-CB 3.22Å; Q147-D150 PolarHBondContact O-N 3.3Å; S148-D150 PolarHBondContact O-N 2.94Å; D150-E152 PolarHBondContact O-N 3.35Å; D150-K153 WeakPolarHBondContact O-CB 3.34Å; D150-K153 PolarHBondContact O-N 3.27Å; D150-K153 VanDerWaalsContact O-N 3.12Å; D150-K153 IonicContact OD1-NZ 3.95Å; D150-K153 PolarHBondContact OD1-NZ 2.7Å; D150-L154 PolarHBondContact O-N 3.27Å
151	I	95.6	Very high	95.3	Very high	5 Å²	5	33.8 Å²	33.8	3%	0.026	17%	0.171	C	C	.	.	H	α-helix	trans	-59.9	-37	172.5	-47.3	177.4	0	0	0	110.2	Q147 S148 K153 L154 G155 L165 L170 L173 P174 L177 F192	Q147-I151 PolarHBondContact O-N 2.85Å; S148-I151 WeakPolarHBondContact O-CB 3.47Å; S148-I151 PolarHBondContact O-N 3.42Å; I151-K153 VanDerWaalsContact C-N 3.31Å; I151-K153 PolarHBondContact O-N 2.99Å; I151-L154 PolarHBondContact O-N 3.19Å; I151-G155 PolarHBondContact O-N 2.86Å; I151-L165 HydrophobicContact CD1-CD1 4.29Å; I151-L165 HydrophobicContact CG1-CD1 4.12Å; I151-L165 HydrophobicContact CG2-CD1 4.03Å; I151-L170 HydrophobicContact CD1-CD1 3.64Å; I151-L170 HydrophobicContact CD1-CD2 3.84Å; I151-L170 HydrophobicContact CD1-CG 4.35Å; I151-L170 HydrophobicContact CG1-CD1 4.48Å; I151-L170 HydrophobicContact CG1-CD2 4.4Å; I151-L173 HydrophobicContact CD1-CD2 3.49Å; I151-L173 VanDerWaalsContact CD1-CD2 3.49Å; I151-P174 HydrophobicContact CB-CG 4.25Å; I151-L177 HydrophobicContact CG2-CD2 3.66Å; I151-F192 HydrophobicContact CG2-CE2 4.29Å; I151-F192 HydrophobicContact CG2-CZ 4.14Å; I151-F192 VanDerWaalsContact O-CE2 3.28Å; I151-F192 WeakPolarHBondContact O-CE2 3.39Å; I151-F192 WeakPolarHBondContact O-CZ 3.44Å
152	E	92.2	Very high	95.4	Very high	67 Å²	67	35.9 Å²	35.9	31%	0.313	18%	0.182	S	C	.	.	H	α-helix	trans	-62.1	-38.9	177	-159.5	-160.6	134.7	0	0	112.4	D150 G155 P174 K191	D150-E152 PolarHBondContact O-N 3.35Å; E152-G155 PolarHBondContact O-N 2.93Å; E152-P174 HydrophobicContact CB-CG 4.1Å; E152-K191 VanDerWaalsContact CD-NZ 3.34Å; E152-K191 HydrophobicContact CG-CD 4.1Å; E152-K191 IonicContact OE1-NZ 3.02Å; E152-K191 PolarHBondContact OE1-NZ 2.91Å
153	K	93.1	Very high	95.4	Very high	64 Å²	64	35.7 Å²	35.7	28%	0.278	18%	0.18	S	C	.	.	H	α-helix	trans	-68.1	-37.3	179.4	-58.3	163.4	-164.9	168.8	0	111.5	L126 S127 A149 D150 I151 G155 Y156	L126-K153 HydrophobicContact CB-CD 3.96Å; L126-K153 WeakPolarHBondContact O-CD 3.27Å; L126-K153 PolarHBondContact O-NZ 2.68Å; S127-K153 WeakPolarHBondContact O-CD 3.2Å; A149-K153 VanDerWaalsContact O-CE 3.28Å; A149-K153 WeakPolarHBondContact O-CE 3.5Å; A149-K153 WeakPolarHBondContact O-CG 3.32Å; D150-K153 WeakPolarHBondContact O-CB 3.34Å; D150-K153 PolarHBondContact O-N 3.27Å; D150-K153 VanDerWaalsContact O-N 3.12Å; D150-K153 IonicContact OD1-NZ 3.95Å; D150-K153 PolarHBondContact OD1-NZ 2.7Å; I151-K153 VanDerWaalsContact C-N 3.31Å; I151-K153 PolarHBondContact O-N 2.99Å; K153-G155 PolarHBondContact O-N 3.16Å; K153-Y156 WeakPolarHBondContact O-CD2 3.46Å; K153-Y156 PolarHBondContact O-N 2.82Å
154	L	95.8	Very high	95.5	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-61.1	-22	171.1	-65.7	175.4	0	0	0	112.9	L104 L126 L139 L141 D150 I151 Y156 L157 L163 L165 F192	L104-L154 HydrophobicContact CD2-CD2 3.74Å; L126-L154 HydrophobicContact CD1-CD1 4.2Å; L126-L154 HydrophobicContact CD1-CD2 3.53Å; L126-L154 HydrophobicContact CD1-CG 3.61Å; L139-L154 HydrophobicContact CD2-CD2 3.84Å; L141-L154 HydrophobicContact CD1-CD1 3.77Å; L141-L154 HydrophobicContact CD1-CD2 3.81Å; L141-L154 HydrophobicContact CD1-CG 4.44Å; D150-L154 PolarHBondContact O-N 3.27Å; I151-L154 PolarHBondContact O-N 3.19Å; L154-Y156 PolarHBondContact O-N 3.26Å; L154-L157 HydrophobicContact CB-CD1 4.42Å; L154-L157 HydrophobicContact CD2-CD1 3.83Å; L154-L157 WeakPolarHBondContact O-CB 3.29Å; L154-L157 WeakPolarHBondContact O-CG 3.29Å; L154-L157 PolarHBondContact O-N 3.23Å; L154-L163 HydrophobicContact CD1-CD1 4.2Å; L154-L163 HydrophobicContact CD1-CD2 4.2Å; L154-L165 HydrophobicContact CD1-CD2 4.04Å; L154-F192 HydrophobicContact CB-CE1 4.19Å; L154-F192 HydrophobicContact CB-CZ 3.87Å
155	G	93.3	Very high	95.6	Very high	2 Å²	2	35.6 Å²	35.6	2%	0.021	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-24.5	178.4	0	0	0	0	0	114.4	I151 E152 K153 L157 K191 F192	I151-G155 PolarHBondContact O-N 2.86Å; E152-G155 PolarHBondContact O-N 2.93Å; K153-G155 PolarHBondContact O-N 3.16Å; G155-L157 VanDerWaalsContact C-N 3.31Å; G155-L157 PolarHBondContact O-N 3.03Å; G155-K191 CarbonylContact O-C 3.37Å; G155-K191 VanDerWaalsContact O-CA 3.28Å; G155-K191 WeakPolarHBondContact O-CA 3.13Å; G155-F192 VanDerWaalsContact CA-CE2 3.4Å; G155-F192 PolarHBondContact O-N 3.39Å
156	Y	93.3	Very high	95.7	Very high	32 Å²	32	32.8 Å²	32.8	13%	0.125	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-12.1	179.8	-67.8	-96.5	0	0	0	113.7	Y129 K153 L154 P158 G181 T183 V189	Y129-Y156 HydrophobicContact CD1-CD1 4.39Å; Y129-Y156 HydrophobicContact CD2-CG 4.16Å; Y129-Y156 HydrophobicContact CG-CD1 4.23Å; Y129-Y156 AromaticContact CG-CG 3.98Å; Y129-Y156 HydrophobicContact CG-CG 3.98Å; K153-Y156 WeakPolarHBondContact O-CD2 3.46Å; K153-Y156 PolarHBondContact O-N 2.82Å; L154-Y156 PolarHBondContact O-N 3.26Å; Y156-P158 WeakPolarHBondContact O-CD 3.47Å; Y156-P158 VanDerWaalsContact O-N 3.13Å; Y156-G181 WeakPolarHBondContact OH-CA 3.28Å; Y156-T183 HydrophobicContact CD1-CG2 4.16Å; Y156-T183 HydrophobicContact CE1-CG2 4.45Å; Y156-V189 HydrophobicContact CD1-CB 4.16Å; Y156-V189 HydrophobicContact CD1-CG1 4Å; Y156-V189 HydrophobicContact CE1-CB 4.43Å
157	L	94.7	Very high	95.6	Very high	17 Å²	17	33.4 Å²	33.4	9%	0.089	18%	0.175	C	C	.	.			trans	-63.3	112	-177.9	-69.5	169.7	0	0	0	110.7	F133 L139 L154 G155 S159 L160	F133-L157 HydrophobicContact CB-CD2 3.65Å; F133-L157 HydrophobicContact CD2-CD2 3.61Å; F133-L157 HydrophobicContact CE2-CD2 4.49Å; F133-L157 HydrophobicContact CG-CD2 3.9Å; L139-L157 HydrophobicContact CD2-CD1 3.69Å; L154-L157 HydrophobicContact CB-CD1 4.42Å; L154-L157 HydrophobicContact CD2-CD1 3.83Å; L154-L157 WeakPolarHBondContact O-CB 3.29Å; L154-L157 WeakPolarHBondContact O-CG 3.29Å; L154-L157 PolarHBondContact O-N 3.23Å; G155-L157 VanDerWaalsContact C-N 3.31Å; G155-L157 PolarHBondContact O-N 3.03Å; L157-S159 VanDerWaalsContact C-N 3.27Å; L157-S159 PolarHBondContact O-N 3.33Å; L157-S159 VanDerWaalsContact O-N 3.14Å; L157-L160 HydrophobicContact CB-CB 3.91Å; L157-L160 HydrophobicContact CB-CD2 4.37Å; L157-L160 HydrophobicContact CD1-CD2 4.03Å; L157-L160 PolarHBondContact O-N 3.19Å
158	P	92.5	Very high	95.7	Very high	44 Å²	44	27.6 Å²	27.6	29%	0.286	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-16.9	-157	29	-37.7	0	0	0	113.8	Y156 K194	Y156-P158 WeakPolarHBondContact O-CD 3.47Å; Y156-P158 VanDerWaalsContact O-N 3.13Å; P158-K194 VanDerWaalsContact O-CD 3.23Å; P158-K194 WeakPolarHBondContact O-CD 3.39Å; P158-K194 WeakPolarHBondContact O-CE 3.4Å; P158-K194 PolarHBondContact O-NZ 2.58Å
159	S	96	Very high	95.7	Very high	21 Å²	21	29.7 Å²	29.7	15%	0.147	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.7	1.3	-177.8	-74.1	0	0	0	0	115	D134 L136 Q137 L157 R161 K194	D134-S159 WeakPolarHBondContact O-CB 3.3Å; D134-S159 PolarHBondContact O-OG 3.15Å; L136-S159 CarbonylContact O-C 3.35Å; L136-S159 VanDerWaalsContact O-CB 3.28Å; L136-S159 WeakPolarHBondContact O-CB 3.49Å; Q137-S159 WeakPolarHBondContact CG-O 3.44Å; L157-S159 VanDerWaalsContact C-N 3.27Å; L157-S159 PolarHBondContact O-N 3.33Å; L157-S159 VanDerWaalsContact O-N 3.14Å; S159-R161 PolarHBondContact O-N 3.22Å; S159-K194 PolarHBondContact OG-NZ 3.25Å; S159-K194 VanDerWaalsContact OG-NZ 3.07Å
160	L	98.1	Very high	95.9	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.016	14%	0.135	C	C	.	.			trans	-65.7	128.4	-169.9	-171	68.5	0	0	0	112.8	L136 L139 L157 L163 F192 K194 L195	L136-L160 WeakPolarHBondContact O-CA 3.49Å; L136-L160 PolarHBondContact O-N 2.97Å; L136-L160 VanDerWaalsContact O-N 3.14Å; L139-L160 HydrophobicContact CB-CD1 3.68Å; L157-L160 HydrophobicContact CB-CB 3.91Å; L157-L160 HydrophobicContact CB-CD2 4.37Å; L157-L160 HydrophobicContact CD1-CD2 4.03Å; L157-L160 PolarHBondContact O-N 3.19Å; L160-L163 HydrophobicContact CD2-CB 4.21Å; L160-L163 HydrophobicContact CD2-CD1 4.45Å; L160-L163 HydrophobicContact CD2-CD2 4.17Å; L160-F192 HydrophobicContact CD2-CD1 4.35Å; L160-F192 HydrophobicContact CD2-CE1 3.98Å; L160-K194 CarbonylContact O-C 3.45Å; L160-K194 VanDerWaalsContact O-C 3.23Å; L160-K194 WeakPolarHBondContact O-CB 3.49Å; L160-L195 HydrophobicContact CD2-CD1 4.26Å; L160-L195 HydrophobicContact CG-CD1 4.11Å; L160-L195 PolarHBondContact O-N 3.29Å
161	R	98.7	Very high	96	Very high	96 Å²	96	35.7 Å²	35.7	36%	0.362	17%	0.167	S	C	.	.			trans	-123.1	-35	-177.9	-68.3	172	72.8	-171.1	1.5	112.9	Q137 S159 K194 E196 I197	Q137-R161 HydrophobicContact CG-CG 4.44Å; Q137-R161 PolarHBondContact O-N 3.23Å; Q137-R161 VanDerWaalsContact OE1-CD 3.25Å; S159-R161 PolarHBondContact O-N 3.22Å; R161-K194 HydrophobicContact CG-CB 4.35Å; R161-E196 IonicContact CZ-OE2 2.7Å; R161-E196 VanDerWaalsContact CZ-OE2 3.24Å; R161-E196 IonicContact NE-OE1 2.68Å; R161-E196 IonicContact NE-OE2 3.25Å; R161-E196 PolarHBondContact NE-OE2 3.22Å; R161-E196 IonicContact NH2-OE1 2.88Å; R161-E196 IonicContact NH2-OE2 3.93Å; R161-E196 PolarHBondContact NH2-OE2 3.33Å; R161-E196 PolarHBondContact O-N 2.94Å; R161-I197 PolarHBondContact O-N 3.03Å
162	I	98.8	Very high	96	Very high	45 Å²	45	41.1 Å²	41.1	23%	0.231	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	121.1	-176.6	-52	-178.2	0	0	0	108.1	Q137 Y138 L139 Y164 I197	Q137-I162 PolarHBondContact O-N 3.21Å; Y138-I162 WeakPolarHBondContact CA-O 3.47Å; Y138-I162 HydrophobicContact CD2-CB 3.98Å; Y138-I162 HydrophobicContact CD2-CD1 4.18Å; Y138-I162 HydrophobicContact CD2-CG2 3.73Å; Y138-I162 HydrophobicContact CE2-CG2 4.03Å; L139-I162 PolarHBondContact N-O 2.99Å; I162-Y164 HydrophobicContact CG2-CD2 4.13Å; I162-Y164 HydrophobicContact CG2-CE2 3.48Å; I162-Y164 VanDerWaalsContact CG2-CE2 3.48Å; I162-I197 WeakPolarHBondContact CA-O 3.49Å; I162-I197 HydrophobicContact CB-CB 4.36Å; I162-I197 HydrophobicContact CD1-CD1 4.1Å; I162-I197 HydrophobicContact CG1-CB 4.12Å; I162-I197 HydrophobicContact CG1-CD1 4.15Å; I162-I197 HydrophobicContact CG1-CG1 4.32Å; I162-I197 HydrophobicContact CG2-CB 4.08Å; I162-I197 HydrophobicContact CG2-CG2 4.04Å
163	L	98.8	Very high	96.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	128	-179.6	177.4	58.3	0	0	0	111	L139 L154 L160 L165 F192 L195 I197 L198 H199	L139-L163 HydrophobicContact CB-CD1 4.18Å; L139-L163 HydrophobicContact CD2-CD1 4.31Å; L139-L163 HydrophobicContact CG-CD1 4.19Å; L139-L163 WeakPolarHBondContact O-CA 3.39Å; L154-L163 HydrophobicContact CD1-CD1 4.2Å; L154-L163 HydrophobicContact CD1-CD2 4.2Å; L160-L163 HydrophobicContact CD2-CB 4.21Å; L160-L163 HydrophobicContact CD2-CD1 4.45Å; L160-L163 HydrophobicContact CD2-CD2 4.17Å; L163-L165 HydrophobicContact CD1-CD2 4.39Å; L163-L165 HydrophobicContact CD1-CG 4.19Å; L163-L165 HydrophobicContact CD2-CD1 3.89Å; L163-L165 HydrophobicContact CD2-CG 4.23Å; L163-L165 HydrophobicContact CG-CD1 4.21Å; L163-L165 HydrophobicContact CG-CG 4.02Å; L163-F192 HydrophobicContact CD2-CE1 3.8Å; L163-F192 HydrophobicContact CD2-CZ 4.17Å; L163-L195 HydrophobicContact CB-CD1 3.86Å; L163-I197 PolarHBondContact N-O 2.84Å; L163-L198 HydrophobicContact CB-CD1 4.05Å; L163-L198 HydrophobicContact CD2-CD1 4.04Å; L163-L198 HydrophobicContact CG-CD1 4.03Å; L163-H199 PolarHBondContact O-N 3.23Å
164	Y	98.8	Very high	96.4	Very high	56 Å²	56	35.6 Å²	35.6	22%	0.22	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	122.6	170.9	-63.3	-104.9	0	0	0	111.1	Y138 L139 N140 L141 S142 I162 H199	Y138-Y164 HydrophobicContact CD2-CE2 4.3Å; Y138-Y164 HydrophobicContact CE2-CD2 4.17Å; Y138-Y164 AromaticContact CE2-CE2 3.45Å; Y138-Y164 HydrophobicContact CE2-CE2 3.45Å; Y138-Y164 VanDerWaalsContact CE2-CE2 3.45Å; Y138-Y164 AromaticContact CZ-CD2 3.96Å; Y138-Y164 AromaticContact CZ-CE2 3.6Å; Y138-Y164 WeakPolarHBondContact OH-CE2 3.37Å; L139-Y164 PolarHBondContact O-N 2.83Å; N140-Y164 HydrophobicContact CB-CD2 4.46Å; N140-Y164 WeakPolarHBondContact OD1-CB 3.22Å; L141-Y164 CarbonylContact C-O 3.2Å; L141-Y164 WeakPolarHBondContact CA-O 3.46Å; L141-Y164 PolarHBondContact N-O 2.98Å; S142-Y164 WeakPolarHBondContact OG-CB 3.42Å; I162-Y164 HydrophobicContact CG2-CD2 4.13Å; I162-Y164 HydrophobicContact CG2-CE2 3.48Å; I162-Y164 VanDerWaalsContact CG2-CE2 3.48Å; Y164-H199 HydrophobicContact CD1-CB 3.42Å; Y164-H199 VanDerWaalsContact CD1-CB 3.42Å; Y164-H199 AromaticContact CD1-CD2 3.6Å; Y164-H199 AromaticContact CD1-CG 3.37Å; Y164-H199 AromaticContact CD1-ND1 3.88Å; Y164-H199 HydrophobicContact CE1-CB 3.97Å; Y164-H199 AromaticContact CE1-CD2 3.16Å; Y164-H199 WeakPolarHBondContact CE1-CD2 3.36Å; Y164-H199 AromaticContact CE1-CE1 3.72Å; Y164-H199 AromaticContact CE1-CG 3.37Å; Y164-H199 AromaticContact CE1-ND1 3.7Å; Y164-H199 AromaticContact CE1-NE2 3.41Å; Y164-H199 WeakPolarHBondContact CE1-NE2 3.45Å; Y164-H199 HydrophobicContact CG-CB 3.94Å; Y164-H199 AromaticContact CZ-CD2 3.61Å; Y164-H199 AromaticContact CZ-NE2 3.84Å
165	L	98.4	Very high	96.1	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.195	C	C	.	.			trans	-125.8	24.1	176.4	-69.2	171.2	0	0	0	110.8	L141 L146 I151 L154 L163 G167 N168 L170 L198 H199 L200 N203	L141-L165 HydrophobicContact CB-CD2 4.08Å; L146-L165 HydrophobicContact CD1-CD2 3.65Å; I151-L165 HydrophobicContact CD1-CD1 4.29Å; I151-L165 HydrophobicContact CG1-CD1 4.12Å; I151-L165 HydrophobicContact CG2-CD1 4.03Å; L154-L165 HydrophobicContact CD1-CD2 4.04Å; L163-L165 HydrophobicContact CD1-CD2 4.39Å; L163-L165 HydrophobicContact CD1-CG 4.19Å; L163-L165 HydrophobicContact CD2-CD1 3.89Å; L163-L165 HydrophobicContact CD2-CG 4.23Å; L163-L165 HydrophobicContact CG-CD1 4.21Å; L163-L165 HydrophobicContact CG-CG 4.02Å; L165-G167 PolarHBondContact O-N 2.82Å; L165-N168 PolarHBondContact O-ND2 3.48Å; L165-N168 VanDerWaalsContact O-ND2 3.09Å; L165-L170 HydrophobicContact CB-CD1 4.36Å; L165-L198 HydrophobicContact CD1-CD1 4.5Å; L165-H199 PolarHBondContact N-O 3.37Å; L165-L200 HydrophobicContact CB-CD2 3.92Å; L165-L200 HydrophobicContact CD1-CD2 4.08Å; L165-N203 PolarHBondContact O-ND2 3.31Å
166	S	97.5	Very high	96	Very high	4 Å²	4	41.2 Å²	41.2	3%	0.028	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	138.5	-175.6	-55.8	0	0	0	0	111.2	S142 Y143 N168 D201	S142-S166 CarbonylContact C-O 3.57Å; S142-S166 WeakPolarHBondContact CA-O 3.37Å; S142-S166 WeakPolarHBondContact CB-O 3.13Å; S142-S166 PolarHBondContact OG-N 3.44Å; Y143-S166 PolarHBondContact N-O 3.48Å; S166-N168 VanDerWaalsContact C-N 3.32Å; S166-N168 PolarHBondContact O-N 2.95Å; S166-N168 PolarHBondContact O-ND2 3.34Å; S166-D201 CarbonylContact C-O 3.45Å; S166-D201 WeakPolarHBondContact CA-O 3.27Å; S166-D201 WeakPolarHBondContact CB-OD2 3.32Å; S166-D201 PolarHBondContact OG-OD1 2.86Å; S166-D201 PolarHBondContact OG-OD2 3.16Å
167	G	95.2	Very high	96.1	Very high	16 Å²	16	40 Å²	40	17%	0.165	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	24.1	171.7	0	0	0	0	0	117.1	L165 D169 D201	L165-G167 PolarHBondContact O-N 2.82Å; G167-D169 PolarHBondContact O-N 3.19Å; G167-D201 PolarHBondContact N-O 3.35Å
168	N	96.3	Very high	96	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.027	19%	0.192	C	C	.	.	S	Bend	trans	-82.3	13	174.6	-84.1	-94.4	0	0	0	113.9	L141 N144 F145 L146 L165 S166 L170 N203	L141-N168 PolarHBondContact O-ND2 3.17Å; N144-N168 WeakPolarHBondContact CA-OD1 3.29Å; N144-N168 VanDerWaalsContact CB-OD1 3.28Å; N144-N168 WeakPolarHBondContact CB-OD1 3.16Å; N144-N168 PolarHBondContact O-OD1 3.35Å; F145-N168 PolarHBondContact N-OD1 3Å; L146-N168 HydrophobicContact CB-CB 4.46Å; L146-N168 WeakPolarHBondContact CB-OD1 3.49Å; L146-N168 WeakPolarHBondContact CG-OD1 3.23Å; L146-N168 PolarHBondContact N-OD1 3.06Å; L146-N168 VanDerWaalsContact N-OD1 3.09Å; L165-N168 PolarHBondContact O-ND2 3.48Å; L165-N168 VanDerWaalsContact O-ND2 3.09Å; S166-N168 VanDerWaalsContact C-N 3.32Å; S166-N168 PolarHBondContact O-N 2.95Å; S166-N168 PolarHBondContact O-ND2 3.34Å; N168-L170 HydrophobicContact CB-CD1 4.19Å; N168-L170 HydrophobicContact CB-CG 3.91Å; N168-L170 PolarHBondContact O-N 3.36Å; N168-N203 WeakPolarHBondContact CA-OD1 3.46Å; N168-N203 PolarHBondContact N-OD1 2.86Å
169	D	94.9	Very high	95.8	Very high	83 Å²	83	41.3 Å²	41.3	44%	0.444	20%	0.198	S	C	.	.			trans	55.9	17.4	-175.6	-97.7	-20.1	0	0	0	116.4	G167 R171 N203 K204	G167-D169 PolarHBondContact O-N 3.19Å; D169-R171 PolarHBondContact O-N 3.22Å; D169-N203 PolarHBondContact N-OD1 2.82Å; D169-K204 WeakPolarHBondContact OD1-CE 3.48Å; D169-K204 WeakPolarHBondContact OD1-CG 3.4Å; D169-K204 IonicContact OD1-NZ 2.84Å; D169-K204 PolarHBondContact OD1-NZ 3.06Å
170	L	96.9	Very high	95.4	Very high	5 Å²	5	40.6 Å²	40.6	3%	0.026	19%	0.193	C	C	.	.			trans	-54.9	122.6	-177	-65.9	167.8	0	0	0	111.7	L146 I151 L165 N168 L200 N203 K204 L205	L146-L170 WeakPolarHBondContact O-CD2 3.44Å; I151-L170 HydrophobicContact CD1-CD1 3.64Å; I151-L170 HydrophobicContact CD1-CD2 3.84Å; I151-L170 HydrophobicContact CD1-CG 4.35Å; I151-L170 HydrophobicContact CG1-CD1 4.48Å; I151-L170 HydrophobicContact CG1-CD2 4.4Å; L165-L170 HydrophobicContact CB-CD1 4.36Å; N168-L170 HydrophobicContact CB-CD1 4.19Å; N168-L170 HydrophobicContact CB-CG 3.91Å; N168-L170 PolarHBondContact O-N 3.36Å; L170-L200 HydrophobicContact CD1-CD2 3.69Å; L170-N203 HydrophobicContact CB-CB 4.06Å; L170-N203 WeakPolarHBondContact CB-OD1 3.35Å; L170-N203 WeakPolarHBondContact CG-OD1 3.44Å; L170-N203 PolarHBondContact N-OD1 2.89Å; L170-K204 CarbonylContact O-C 3.03Å; L170-K204 VanDerWaalsContact O-CA 3.26Å; L170-K204 WeakPolarHBondContact O-CA 3.43Å; L170-K204 PolarHBondContact O-N 3.32Å; L170-L205 HydrophobicContact CB-CD2 4.09Å; L170-L205 WeakPolarHBondContact O-CD2 3.34Å; L170-L205 PolarHBondContact O-N 3Å; L170-L205 VanDerWaalsContact O-N 3.14Å
171	R	96.3	Very high	94.9	Very high	183 Å²	183	40.6 Å²	40.6	69%	0.691	19%	0.193	S	C	*	.			trans	-95.9	-26.3	-179.4	-59.4	-177.3	-172	126.3	8	113.7	D169 K204	D169-R171 PolarHBondContact O-N 3.22Å; R171-K204 HydrophobicContact CG-CB 4.28Å
172	K	96.7	Very high	94.4	Very high	118 Å²	118	39.8 Å²	39.8	51%	0.513	20%	0.196	S	C	.	.			trans	-150.3	157.6	175.9	-59.3	-172.9	-172	-116.5	0	109.4	S148 D207 D210	S148-K172 WeakPolarHBondContact CB-O 3.49Å; S148-K172 PolarHBondContact OG-O 2.95Å; K172-D207 WeakPolarHBondContact CE-OD2 3.29Å; K172-D207 IonicContact NZ-OD2 2.65Å; K172-D207 PolarHBondContact NZ-OD2 3.03Å; K172-D210 VanDerWaalsContact CA-OD1 3.28Å; K172-D210 WeakPolarHBondContact CA-OD1 3.31Å
173	L	97.8	Very high	93.7	Very high	10 Å²	10	38.4 Å²	38.4	5%	0.052	19%	0.19	C	C	.	.			trans	-97	166.9	168.9	-59	176.8	0	0	0	111.4	S148 I151 L177 L200 L205 D210 L214	S148-L173 PolarHBondContact OG-O 2.93Å; I151-L173 HydrophobicContact CD1-CD2 3.49Å; I151-L173 VanDerWaalsContact CD1-CD2 3.49Å; L173-L177 HydrophobicContact CD1-CD1 4.33Å; L173-L200 HydrophobicContact CD1-CD1 3.98Å; L173-L200 HydrophobicContact CD2-CD1 4.09Å; L173-L200 HydrophobicContact CD2-CD2 4.08Å; L173-L205 HydrophobicContact CD1-CD1 4.22Å; L173-L205 HydrophobicContact CD2-CD1 4.16Å; L173-L205 HydrophobicContact CD2-CD2 4.12Å; L173-L205 HydrophobicContact CG-CD1 4.13Å; L173-L205 HydrophobicContact CG-CD2 4Å; L173-D210 HydrophobicContact CD1-CB 4.12Å; L173-D210 HydrophobicContact CG-CB 4.33Å; L173-D210 PolarHBondContact N-OD1 2.82Å; L173-L214 HydrophobicContact CD1-CD1 3.68Å; L173-L214 HydrophobicContact CD1-CD2 3.81Å; L173-L214 HydrophobicContact CD1-CG 3.5Å
174	P	95.3	Very high	92.7	Very high	5 Å²	5	42.7 Å²	42.7	3%	0.032	22%	0.22	C	C	.	.			trans	-54.4	149.1	167	-28.4	36.1	0	0	0	111.3	S148 I151 E152 D176 L177 S213	S148-P174 VanDerWaalsContact O-CG 3.24Å; S148-P174 WeakPolarHBondContact O-CG 3.45Å; S148-P174 WeakPolarHBondContact OG-CD 3.4Å; S148-P174 VanDerWaalsContact OG-N 3.07Å; I151-P174 HydrophobicContact CB-CG 4.25Å; E152-P174 HydrophobicContact CB-CG 4.1Å; P174-D176 PolarHBondContact O-N 2.98Å; P174-D176 VanDerWaalsContact O-N 3.16Å; P174-L177 HydrophobicContact CB-CD2 4.45Å; P174-L177 HydrophobicContact CG-CD2 4.07Å; P174-S213 WeakPolarHBondContact O-CB 3.44Å; P174-S213 PolarHBondContact O-OG 2.78Å
175	P	90.1	Very high	91.9	Very high	96 Å²	96	44.2 Å²	44.2	62%	0.623	23%	0.232	S	C	*	.	S	Bend	trans	-57.5	-33.1	-177.1	-26.8	35.6	0	0	0	114.3	Q209 S213	P175-Q209 PolarHBondContact O-NE2 3.02Å; P175-S213 WeakPolarHBondContact O-CB 3.39Å
176	D	91.6	Very high	91.2	Very high	26 Å²	26	51.3 Å²	51.3	14%	0.139	27%	0.265	C	S	.	.			trans	-147.4	98.3	-179.6	-163.7	-42.5	0	0	0	111.1	P174 S178 E179 T216 R362	P174-D176 PolarHBondContact O-N 2.98Å; P174-D176 VanDerWaalsContact O-N 3.16Å; D176-S178 PolarHBondContact O-N 3.12Å; D176-S178 PolarHBondContact OD1-N 2.97Å; D176-S178 PolarHBondContact OD1-OG 3.42Å; D176-E179 HydrophobicContact CB-CB 4.32Å; D176-E179 WeakPolarHBondContact O-CB 3.34Å; D176-E179 PolarHBondContact O-N 3.27Å; D176-E179 PolarHBondContact OD1-N 2.95Å; D176-T216 WeakPolarHBondContact OD1-CB 3.45Å; D176-T216 PolarHBondContact OD1-OG1 3.47Å; D176-R362 IonicContact OD1-CZ 3.68Å; D176-R362 IonicContact OD1-NH1 3.75Å; D176-R362 IonicContact OD1-NH2 3.15Å; D176-R362 PolarHBondContact OD1-NH2 3.05Å; D176-R362 IonicContact OD2-CZ 2.65Å; D176-R362 IonicContact OD2-NH1 2.67Å; D176-R362 PolarHBondContact OD2-NH1 2.87Å; D176-R362 IonicContact OD2-NH2 2.88Å; D176-R362 PolarHBondContact OD2-NH2 2.91Å
177	L	94.9	Very high	90.5	Very high	6 Å²	6	55.7 Å²	55.7	3%	0.031	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-18.3	178.8	-74.9	161.2	0	0	0	113.6	I151 L173 P174 K191 F192 S213 L214 L217	I151-L177 HydrophobicContact CG2-CD2 3.66Å; L173-L177 HydrophobicContact CD1-CD1 4.33Å; P174-L177 HydrophobicContact CB-CD2 4.45Å; P174-L177 HydrophobicContact CG-CD2 4.07Å; L177-K191 WeakPolarHBondContact O-CB 3.23Å; L177-F192 HydrophobicContact CB-CD2 4.23Å; L177-F192 HydrophobicContact CD2-CD2 4.05Å; L177-F192 HydrophobicContact CD2-CE2 3.61Å; L177-F192 WeakPolarHBondContact O-CD2 3.3Å; L177-S213 WeakPolarHBondContact CG-OG 3.45Å; L177-S213 PolarHBondContact N-OG 2.83Å; L177-L214 HydrophobicContact CD1-CD2 3.96Å; L177-L214 HydrophobicContact CD1-CG 4.46Å; L177-L217 HydrophobicContact CB-CD2 3.89Å; L177-L217 HydrophobicContact CB-CG 4.22Å; L177-L217 HydrophobicContact CD1-CD1 4.21Å
178	S	91.7	Very high	90.1	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	5.1	-179.1	77	0	0	0	0	114.7	D176 T216 R362	D176-S178 PolarHBondContact O-N 3.12Å; D176-S178 PolarHBondContact OD1-N 2.97Å; D176-S178 PolarHBondContact OD1-OG 3.42Å; S178-T216 WeakPolarHBondContact CB-O 3.45Å; S178-T216 WeakPolarHBondContact CB-OG1 3.43Å; S178-T216 PolarHBondContact N-OG1 3.32Å; S178-T216 VanDerWaalsContact OG-CB 3.24Å; S178-T216 WeakPolarHBondContact OG-CB 3.3Å; S178-T216 PolarHBondContact OG-OG1 3.11Å; S178-R362 PolarHBondContact OG-NH2 2.87Å
179	E	88.5	Confident	89.8	Confident	90 Å²	90	60.2 Å²	60.2	42%	0.421	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-59.3	154	-172.6	-171.5	179.8	-117.6	0	0	113.1	D176 G181 K191	D176-E179 HydrophobicContact CB-CB 4.32Å; D176-E179 WeakPolarHBondContact O-CB 3.34Å; D176-E179 PolarHBondContact O-N 3.27Å; D176-E179 PolarHBondContact OD1-N 2.95Å; E179-G181 PolarHBondContact O-N 3.41Å; E179-K191 HydrophobicContact CB-CD 4.22Å; E179-K191 VanDerWaalsContact O-CB 3.29Å; E179-K191 WeakPolarHBondContact O-CB 3.45Å; E179-K191 VanDerWaalsContact O-CD 3.29Å; E179-K191 WeakPolarHBondContact O-CD 3.48Å; E179-K191 WeakPolarHBondContact O-CG 3.3Å; E179-K191 PolarHBondContact O-N 3.27Å; E179-K191 IonicContact OE2-NZ 2.69Å; E179-K191 PolarHBondContact OE2-NZ 2.73Å
180	T	88.8	Confident	89.6	Confident	6 Å²	6	59.6 Å²	59.6	4%	0.037	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	116.6	172.6	-51.4	0	0	0	0	110.2	I188 F190 L358 H361 R362	T180-I188 HydrophobicContact CG2-CG2 3.62Å; T180-F190 HydrophobicContact CG2-CD1 4.5Å; T180-F190 HydrophobicContact CG2-CE1 4.48Å; T180-L358 HydrophobicContact CG2-CD2 3.94Å; T180-H361 WeakPolarHBondContact CB-O 3.48Å; T180-H361 WeakPolarHBondContact CG2-O 3.43Å; T180-H361 PolarHBondContact OG1-O 2.98Å; T180-R362 WeakPolarHBondContact OG1-CA 3.49Å
181	G	87.7	Confident	89.5	Confident	2 Å²	2	59.5 Å²	59.5	2%	0.021	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	161.2	168.4	0	0	0	0	0	112.2	Y156 E179 V189	Y156-G181 WeakPolarHBondContact OH-CA 3.28Å; E179-G181 PolarHBondContact O-N 3.41Å; G181-V189 PolarHBondContact N-O 2.91Å; G181-V189 PolarHBondContact O-N 3.26Å
182	L	87	Confident	89.5	Confident	79 Å²	79	51.2 Å²	51.2	41%	0.414	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	136.8	163.7	-70.2	177.2	0	0	0	108.9	H187 I188 L358	L182-H187 WeakPolarHBondContact CA-O 3.49Å; L182-I188 HydrophobicContact CD2-CG1 3.92Å; L182-L358 HydrophobicContact CD1-CD1 4.19Å; L182-L358 HydrophobicContact CD1-CD2 4.05Å; L182-L358 HydrophobicContact CD2-CD2 3.8Å; L182-L358 HydrophobicContact CG-CD1 4.23Å; L182-L358 HydrophobicContact CG-CD2 3.75Å
183	T	83.8	Confident	89.3	Confident	16 Å²	16	47.6 Å²	47.6	10%	0.098	26%	0.257	C	S	.	.			trans	-83.4	173.7	170.1	51.6	0	0	0	0	111	Y129 Y156 D185 E186 H187 V189	Y129-T183 HydrophobicContact CD1-CG2 3.8Å; Y129-T183 HydrophobicContact CE1-CG2 3.55Å; Y156-T183 HydrophobicContact CD1-CG2 4.16Å; Y156-T183 HydrophobicContact CE1-CG2 4.45Å; T183-D185 WeakPolarHBondContact CB-OD1 3.4Å; T183-D185 PolarHBondContact O-N 2.88Å; T183-D185 PolarHBondContact OG1-OD1 2.88Å; T183-E186 PolarHBondContact O-N 2.85Å; T183-H187 PolarHBondContact N-O 3.1Å; T183-H187 VanDerWaalsContact N-O 3.08Å; T183-H187 WeakPolarHBondContact OG1-CB 3.4Å; T183-H187 PolarHBondContact OG1-N 2.65Å; T183-H187 PolarHBondContact OG1-O 2.88Å; T183-V189 HydrophobicContact CG2-CB 4.45Å; T183-V189 HydrophobicContact CG2-CG2 3.58Å
184	S	79	Confident	89.3	Confident	91 Å²	91	50.9 Å²	50.9	64%	0.636	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-19	-179.4	50.2	0	0	0	0	114.4
185	D	81.7	Confident	89.4	Confident	87 Å²	87	50.7 Å²	50.7	47%	0.465	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	21.5	173.7	58	-27.5	0	0	0	112.5	T183 H187	T183-D185 WeakPolarHBondContact CB-OD1 3.4Å; T183-D185 PolarHBondContact O-N 2.88Å; T183-D185 PolarHBondContact OG1-OD1 2.88Å; D185-H187 VanDerWaalsContact CG-ND1 3.31Å; D185-H187 PolarHBondContact O-N 2.88Å; D185-H187 IonicContact OD1-ND1 3.24Å; D185-H187 IonicContact OD2-CE1 2.64Å; D185-H187 PolarHBondContact OD2-CE1 3.26Å; D185-H187 IonicContact OD2-CG 2.75Å; D185-H187 IonicContact OD2-ND1 3.97Å; D185-H187 PolarHBondContact OD2-ND1 3.03Å
186	E	82.9	Confident	89.8	Confident	149 Å²	149	48 Å²	48	70%	0.696	25%	0.249	S	C	*	.			trans	58.8	14.6	176.8	-55.7	-170.1	154.4	0	0	115.4	T183	T183-E186 PolarHBondContact O-N 2.85Å
187	H	83.7	Confident	90.2	Very high	97 Å²	97	49 Å²	49	45%	0.449	25%	0.254	S	S	.	.			trans	-77.3	141.5	175.5	-67.3	135.6	0	0	0	112.5	L182 T183 D185	L182-H187 WeakPolarHBondContact CA-O 3.49Å; T183-H187 PolarHBondContact N-O 3.1Å; T183-H187 VanDerWaalsContact N-O 3.08Å; T183-H187 WeakPolarHBondContact OG1-CB 3.4Å; T183-H187 PolarHBondContact OG1-N 2.65Å; T183-H187 PolarHBondContact OG1-O 2.88Å; D185-H187 VanDerWaalsContact CG-ND1 3.31Å; D185-H187 PolarHBondContact O-N 2.88Å; D185-H187 IonicContact OD1-ND1 3.24Å; D185-H187 IonicContact OD2-CE1 2.64Å; D185-H187 PolarHBondContact OD2-CE1 3.26Å; D185-H187 IonicContact OD2-CG 2.75Å; D185-H187 IonicContact OD2-ND1 3.97Å; D185-H187 PolarHBondContact OD2-ND1 3.03Å
188	I	86.8	Confident	90.4	Very high	74 Å²	74	49 Å²	49	38%	0.379	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	119.3	-177.8	-67.4	170.1	0	0	0	110.1	T180 L182 F190 H361	T180-I188 HydrophobicContact CG2-CG2 3.62Å; L182-I188 HydrophobicContact CD2-CG1 3.92Å; I188-F190 HydrophobicContact CG2-CE1 4.04Å; I188-H361 HydrophobicContact CD1-CB 3.93Å; I188-H361 HydrophobicContact CG2-CB 4.34Å
189	V	89.2	Confident	90.7	Very high	41 Å²	41	50.2 Å²	50.2	25%	0.248	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	134.9	178.8	172.2	0	0	0	0	110.9	Y156 G181 T183	Y156-V189 HydrophobicContact CD1-CB 4.16Å; Y156-V189 HydrophobicContact CD1-CG1 4Å; Y156-V189 HydrophobicContact CE1-CB 4.43Å; G181-V189 PolarHBondContact N-O 2.91Å; G181-V189 PolarHBondContact O-N 3.26Å; T183-V189 HydrophobicContact CG2-CB 4.45Å; T183-V189 HydrophobicContact CG2-CG2 3.58Å
190	F	91.5	Very high	91.2	Very high	70 Å²	70	46 Å²	46	31%	0.307	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	107.1	174.5	-58.7	-40.5	0	0	0	110.4	T180 I188 S193 H361 N363	T180-F190 HydrophobicContact CG2-CD1 4.5Å; T180-F190 HydrophobicContact CG2-CE1 4.48Å; I188-F190 HydrophobicContact CG2-CE1 4.04Å; F190-S193 WeakPolarHBondContact O-CB 3.13Å; F190-S193 PolarHBondContact O-N 3.09Å; F190-S193 PolarHBondContact O-OG 2.77Å; F190-H361 WeakPolarHBondContact CE1-O 3.19Å; F190-N363 HydrophobicContact CB-CB 3.99Å; F190-N363 HydrophobicContact CD1-CB 3.76Å; F190-N363 HydrophobicContact CD2-CB 3.97Å; F190-N363 HydrophobicContact CE1-CB 4.22Å; F190-N363 HydrophobicContact CE2-CB 4.4Å; F190-N363 HydrophobicContact CG-CB 3.63Å
191	K	94.4	Very high	91.6	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.017	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	137.4	-177.1	-64.4	169.6	-164.5	173.3	0	111	E152 G155 L177 E179 S193	E152-K191 VanDerWaalsContact CD-NZ 3.34Å; E152-K191 HydrophobicContact CG-CD 4.1Å; E152-K191 IonicContact OE1-NZ 3.02Å; E152-K191 PolarHBondContact OE1-NZ 2.91Å; G155-K191 CarbonylContact O-C 3.37Å; G155-K191 VanDerWaalsContact O-CA 3.28Å; G155-K191 WeakPolarHBondContact O-CA 3.13Å; L177-K191 WeakPolarHBondContact O-CB 3.23Å; E179-K191 HydrophobicContact CB-CD 4.22Å; E179-K191 VanDerWaalsContact O-CB 3.29Å; E179-K191 WeakPolarHBondContact O-CB 3.45Å; E179-K191 VanDerWaalsContact O-CD 3.29Å; E179-K191 WeakPolarHBondContact O-CD 3.48Å; E179-K191 WeakPolarHBondContact O-CG 3.3Å; E179-K191 PolarHBondContact O-N 3.27Å; E179-K191 IonicContact OE2-NZ 2.69Å; E179-K191 PolarHBondContact OE2-NZ 2.73Å; K191-S193 PolarHBondContact O-N 2.97Å
192	F	96.1	Very high	92.1	Very high	8 Å²	8	49 Å²	49	4%	0.035	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	28.8	179.1	-66.5	-68	0	0	0	115.9	I151 L154 G155 L160 L163 L177 K194 L195 L217	I151-F192 HydrophobicContact CG2-CE2 4.29Å; I151-F192 HydrophobicContact CG2-CZ 4.14Å; I151-F192 VanDerWaalsContact O-CE2 3.28Å; I151-F192 WeakPolarHBondContact O-CE2 3.39Å; I151-F192 WeakPolarHBondContact O-CZ 3.44Å; L154-F192 HydrophobicContact CB-CE1 4.19Å; L154-F192 HydrophobicContact CB-CZ 3.87Å; G155-F192 VanDerWaalsContact CA-CE2 3.4Å; G155-F192 PolarHBondContact O-N 3.39Å; L160-F192 HydrophobicContact CD2-CD1 4.35Å; L160-F192 HydrophobicContact CD2-CE1 3.98Å; L163-F192 HydrophobicContact CD2-CE1 3.8Å; L163-F192 HydrophobicContact CD2-CZ 4.17Å; L177-F192 HydrophobicContact CB-CD2 4.23Å; L177-F192 HydrophobicContact CD2-CD2 4.05Å; L177-F192 HydrophobicContact CD2-CE2 3.61Å; L177-F192 WeakPolarHBondContact O-CD2 3.3Å; F192-K194 PolarHBondContact O-N 3.05Å; F192-L195 HydrophobicContact CB-CB 4.01Å; F192-L195 HydrophobicContact CB-CD2 4.43Å; F192-L195 HydrophobicContact CD1-CB 4.2Å; F192-L195 HydrophobicContact CD1-CD1 4.29Å; F192-L195 HydrophobicContact CD1-CD2 3.82Å; F192-L195 HydrophobicContact CD1-CG 4.33Å; F192-L195 HydrophobicContact CE1-CD2 4.34Å; F192-L195 HydrophobicContact CG-CD2 4.24Å; F192-L195 PolarHBondContact O-N 3.47Å; F192-L217 HydrophobicContact CB-CD2 3.5Å; F192-L217 VanDerWaalsContact CB-CD2 3.5Å; F192-L217 HydrophobicContact CD2-CD2 4.33Å; F192-L217 HydrophobicContact CG-CD2 4.12Å
193	S	93.7	Very high	92.5	Very high	43 Å²	43	45.2 Å²	45.2	30%	0.301	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-20	-174.4	60	0	0	0	0	116.1	F190 K191 R219	F190-S193 WeakPolarHBondContact O-CB 3.13Å; F190-S193 PolarHBondContact O-N 3.09Å; F190-S193 PolarHBondContact O-OG 2.77Å; K191-S193 PolarHBondContact O-N 2.97Å; S193-R219 WeakPolarHBondContact O-CD 3.26Å; S193-R219 PolarHBondContact O-NE 2.96Å
194	K	96.8	Very high	93.2	Very high	78 Å²	78	47 Å²	47	34%	0.339	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-1.2	177.7	-72.1	175	-173.9	164.4	0	114.9	P158 S159 L160 R161 F192 E196	P158-K194 VanDerWaalsContact O-CD 3.23Å; P158-K194 WeakPolarHBondContact O-CD 3.39Å; P158-K194 WeakPolarHBondContact O-CE 3.4Å; P158-K194 PolarHBondContact O-NZ 2.58Å; S159-K194 PolarHBondContact OG-NZ 3.25Å; S159-K194 VanDerWaalsContact OG-NZ 3.07Å; L160-K194 CarbonylContact O-C 3.45Å; L160-K194 VanDerWaalsContact O-C 3.23Å; L160-K194 WeakPolarHBondContact O-CB 3.49Å; R161-K194 HydrophobicContact CG-CB 4.35Å; F192-K194 PolarHBondContact O-N 3.05Å; K194-E196 PolarHBondContact O-N 3.44Å
195	L	98.6	Very high	94.1	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	21%	0.212	C	C	.	.			trans	-68.7	124.9	-170.5	-164.9	74.5	0	0	0	112.4	L160 L163 F192 L198 L217 R219 L220	L160-L195 HydrophobicContact CD2-CD1 4.26Å; L160-L195 HydrophobicContact CG-CD1 4.11Å; L160-L195 PolarHBondContact O-N 3.29Å; L163-L195 HydrophobicContact CB-CD1 3.86Å; F192-L195 HydrophobicContact CB-CB 4.01Å; F192-L195 HydrophobicContact CB-CD2 4.43Å; F192-L195 HydrophobicContact CD1-CB 4.2Å; F192-L195 HydrophobicContact CD1-CD1 4.29Å; F192-L195 HydrophobicContact CD1-CD2 3.82Å; F192-L195 HydrophobicContact CD1-CG 4.33Å; F192-L195 HydrophobicContact CE1-CD2 4.34Å; F192-L195 HydrophobicContact CG-CD2 4.24Å; F192-L195 PolarHBondContact O-N 3.47Å; L195-L198 HydrophobicContact CD2-CB 4.24Å; L195-L198 HydrophobicContact CD2-CD1 4.43Å; L195-L198 HydrophobicContact CD2-CD2 4.19Å; L195-L217 HydrophobicContact CD2-CD1 4.2Å; L195-L217 HydrophobicContact CD2-CD2 4.35Å; L195-R219 CarbonylContact O-C 3.17Å; L195-R219 WeakPolarHBondContact O-CB 3.18Å; L195-L220 PolarHBondContact O-N 3.46Å
196	E	98.6	Very high	94.7	Very high	41 Å²	41	40.8 Å²	40.8	19%	0.192	21%	0.205	C	C	.	.			trans	-119.9	-28	-172.1	-78.4	168.9	178.3	0	0	112.9	R161 K194 R219 T221 Y222	R161-E196 IonicContact CZ-OE2 2.7Å; R161-E196 VanDerWaalsContact CZ-OE2 3.24Å; R161-E196 IonicContact NE-OE1 2.68Å; R161-E196 IonicContact NE-OE2 3.25Å; R161-E196 PolarHBondContact NE-OE2 3.22Å; R161-E196 IonicContact NH2-OE1 2.88Å; R161-E196 IonicContact NH2-OE2 3.93Å; R161-E196 PolarHBondContact NH2-OE2 3.33Å; R161-E196 PolarHBondContact O-N 2.94Å; K194-E196 PolarHBondContact O-N 3.44Å; E196-R219 HydrophobicContact CG-CB 4.22Å; E196-R219 IonicContact OE1-NH1 3.11Å; E196-T221 HydrophobicContact CB-CG2 4.47Å; E196-T221 HydrophobicContact CG-CG2 4.49Å; E196-T221 WeakPolarHBondContact O-CA 3.28Å; E196-T221 WeakPolarHBondContact O-CB 3.21Å; E196-T221 PolarHBondContact O-N 3.12Å; E196-T221 PolarHBondContact O-OG1 3.35Å; E196-Y222 PolarHBondContact O-N 3.15Å; E196-Y222 VanDerWaalsContact O-N 3.17Å
197	I	98.7	Very high	95.2	Very high	47 Å²	47	36 Å²	36	24%	0.241	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	127.3	-179.8	-58.1	-174.2	0	0	0	108.8	R161 I162 L163 Y222	R161-I197 PolarHBondContact O-N 3.03Å; I162-I197 WeakPolarHBondContact CA-O 3.49Å; I162-I197 HydrophobicContact CB-CB 4.36Å; I162-I197 HydrophobicContact CD1-CD1 4.1Å; I162-I197 HydrophobicContact CG1-CB 4.12Å; I162-I197 HydrophobicContact CG1-CD1 4.15Å; I162-I197 HydrophobicContact CG1-CG1 4.32Å; I162-I197 HydrophobicContact CG2-CB 4.08Å; I162-I197 HydrophobicContact CG2-CG2 4.04Å; L163-I197 PolarHBondContact N-O 2.84Å; I197-Y222 HydrophobicContact CG2-CD1 3.82Å; I197-Y222 HydrophobicContact CG2-CG 4.43Å
198	L	98.8	Very high	95.6	Very high	6 Å²	6	32 Å²	32	3%	0.031	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	125.3	178.4	-178.9	55.8	0	0	0	111.5	L163 L165 L195 L200 L214 L217 L220 Y222 L223 N224	L163-L198 HydrophobicContact CB-CD1 4.05Å; L163-L198 HydrophobicContact CD2-CD1 4.04Å; L163-L198 HydrophobicContact CG-CD1 4.03Å; L165-L198 HydrophobicContact CD1-CD1 4.5Å; L195-L198 HydrophobicContact CD2-CB 4.24Å; L195-L198 HydrophobicContact CD2-CD1 4.43Å; L195-L198 HydrophobicContact CD2-CD2 4.19Å; L198-L200 HydrophobicContact CD1-CG 4.24Å; L198-L200 HydrophobicContact CD2-CD1 3.81Å; L198-L200 HydrophobicContact CD2-CG 4.41Å; L198-L200 HydrophobicContact CG-CD1 4Å; L198-L200 HydrophobicContact CG-CG 4.09Å; L198-L214 HydrophobicContact CD2-CD2 3.52Å; L198-L217 HydrophobicContact CD2-CD1 4.08Å; L198-L220 HydrophobicContact CB-CD1 3.71Å; L198-Y222 PolarHBondContact N-O 2.97Å; L198-Y222 VanDerWaalsContact N-O 3.1Å; L198-L223 HydrophobicContact CB-CD1 4.33Å; L198-L223 HydrophobicContact CD2-CD1 4.41Å; L198-L223 HydrophobicContact CG-CD1 4.38Å; L198-L223 WeakPolarHBondContact O-CA 3.41Å; L198-N224 PolarHBondContact O-N 3.4Å
199	H	98.7	Very high	96	Very high	25 Å²	25	32.7 Å²	32.7	12%	0.116	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	118.5	173.5	-86.6	-100.7	0	0	0	110.5	L163 Y164 L165 D201 Y222 N224	L163-H199 PolarHBondContact O-N 3.23Å; Y164-H199 HydrophobicContact CD1-CB 3.42Å; Y164-H199 VanDerWaalsContact CD1-CB 3.42Å; Y164-H199 AromaticContact CD1-CD2 3.6Å; Y164-H199 AromaticContact CD1-CG 3.37Å; Y164-H199 AromaticContact CD1-ND1 3.88Å; Y164-H199 HydrophobicContact CE1-CB 3.97Å; Y164-H199 AromaticContact CE1-CD2 3.16Å; Y164-H199 WeakPolarHBondContact CE1-CD2 3.36Å; Y164-H199 AromaticContact CE1-CE1 3.72Å; Y164-H199 AromaticContact CE1-CG 3.37Å; Y164-H199 AromaticContact CE1-ND1 3.7Å; Y164-H199 AromaticContact CE1-NE2 3.41Å; Y164-H199 WeakPolarHBondContact CE1-NE2 3.45Å; Y164-H199 HydrophobicContact CG-CB 3.94Å; Y164-H199 AromaticContact CZ-CD2 3.61Å; Y164-H199 AromaticContact CZ-NE2 3.84Å; L165-H199 PolarHBondContact N-O 3.37Å; H199-D201 WeakPolarHBondContact CB-OD1 3.25Å; H199-D201 IonicContact CE1-OD1 2.88Å; H199-D201 IonicContact CG-OD1 3.94Å; H199-D201 IonicContact ND1-OD1 2.69Å; H199-D201 PolarHBondContact ND1-OD1 2.82Å; H199-Y222 AromaticContact CE1-CE1 3.85Å; H199-Y222 AromaticContact NE2-CE1 3.44Å; H199-Y222 WeakPolarHBondContact NE2-CE1 3.46Å; H199-N224 PolarHBondContact ND1-ND2 3.04Å
200	L	98.5	Very high	96.4	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	16%	0.158	C	C	.	.			trans	-128.7	20	178.3	-79.7	167	0	0	0	111.1	L165 L170 L173 L198 N203 L205 L214 N224 L225 N228	L165-L200 HydrophobicContact CB-CD2 3.92Å; L165-L200 HydrophobicContact CD1-CD2 4.08Å; L170-L200 HydrophobicContact CD1-CD2 3.69Å; L173-L200 HydrophobicContact CD1-CD1 3.98Å; L173-L200 HydrophobicContact CD2-CD1 4.09Å; L173-L200 HydrophobicContact CD2-CD2 4.08Å; L198-L200 HydrophobicContact CD1-CG 4.24Å; L198-L200 HydrophobicContact CD2-CD1 3.81Å; L198-L200 HydrophobicContact CD2-CG 4.41Å; L198-L200 HydrophobicContact CG-CD1 4Å; L198-L200 HydrophobicContact CG-CG 4.09Å; L200-N203 VanDerWaalsContact C-ND2 3.33Å; L200-N203 WeakPolarHBondContact O-CB 3.24Å; L200-N203 PolarHBondContact O-ND2 2.97Å; L200-L205 HydrophobicContact CB-CD1 4.35Å; L200-L205 HydrophobicContact CD1-CD1 4.25Å; L200-L214 HydrophobicContact CD1-CD1 4.37Å; L200-L214 HydrophobicContact CD1-CD2 3.85Å; L200-N224 CarbonylContact C-O 3.55Å; L200-N224 WeakPolarHBondContact CA-O 3.35Å; L200-N224 PolarHBondContact N-O 3.28Å; L200-L225 HydrophobicContact CB-CD2 3.86Å; L200-L225 HydrophobicContact CD1-CD2 4.13Å; L200-N228 PolarHBondContact O-ND2 3.47Å
201	D	97.9	Very high	96.7	Very high	22 Å²	22	27.6 Å²	27.6	12%	0.118	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	161.6	176.7	39.1	-79.5	0	0	0	113.8	S166 G167 H199 N203 N224 A226	S166-D201 CarbonylContact C-O 3.45Å; S166-D201 WeakPolarHBondContact CA-O 3.27Å; S166-D201 WeakPolarHBondContact CB-OD2 3.32Å; S166-D201 PolarHBondContact OG-OD1 2.86Å; S166-D201 PolarHBondContact OG-OD2 3.16Å; G167-D201 PolarHBondContact N-O 3.35Å; H199-D201 WeakPolarHBondContact CB-OD1 3.25Å; H199-D201 IonicContact CE1-OD1 2.88Å; H199-D201 IonicContact CG-OD1 3.94Å; H199-D201 IonicContact ND1-OD1 2.69Å; H199-D201 PolarHBondContact ND1-OD1 2.82Å; D201-N203 PolarHBondContact O-N 2.94Å; D201-N203 PolarHBondContact O-ND2 2.67Å; D201-N203 VanDerWaalsContact O-ND2 3.08Å; D201-N224 WeakPolarHBondContact CB-ND2 3.43Å; D201-N224 WeakPolarHBondContact OD1-CB 3.29Å; D201-N224 PolarHBondContact OD1-ND2 2.79Å; D201-A226 CarbonylContact C-O 3.04Å; D201-A226 WeakPolarHBondContact CA-O 3.38Å; D201-A226 HydrophobicContact CB-CB 4.11Å
202	D	97.1	Very high	96.7	Very high	48 Å²	48	27.5 Å²	27.5	26%	0.257	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	2.7	-176.3	-70.7	-17.3	0	0	0	116.5	Y143 K204 A226 N227	Y143-D202 HydrophobicContact CE1-CB 4.49Å; Y143-D202 PolarHBondContact OH-OD2 2.75Å; D202-K204 PolarHBondContact O-NZ 2.84Å; D202-A226 PolarHBondContact N-O 2.82Å; D202-N227 WeakPolarHBondContact OD1-CB 3.41Å; D202-N227 PolarHBondContact OD1-ND2 3.34Å
203	N	97.2	Very high	96.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	-78	-176.4	174.2	-73.4	-69.7	0	0	0	112.1	L165 N168 D169 L170 L200 D201 L205 N228	L165-N203 PolarHBondContact O-ND2 3.31Å; N168-N203 WeakPolarHBondContact CA-OD1 3.46Å; N168-N203 PolarHBondContact N-OD1 2.86Å; D169-N203 PolarHBondContact N-OD1 2.82Å; L170-N203 HydrophobicContact CB-CB 4.06Å; L170-N203 WeakPolarHBondContact CB-OD1 3.35Å; L170-N203 WeakPolarHBondContact CG-OD1 3.44Å; L170-N203 PolarHBondContact N-OD1 2.89Å; L200-N203 VanDerWaalsContact C-ND2 3.33Å; L200-N203 WeakPolarHBondContact O-CB 3.24Å; L200-N203 PolarHBondContact O-ND2 2.97Å; D201-N203 PolarHBondContact O-N 2.94Å; D201-N203 PolarHBondContact O-ND2 2.67Å; D201-N203 VanDerWaalsContact O-ND2 3.08Å; N203-L205 HydrophobicContact CB-CG 4.32Å; N203-N228 WeakPolarHBondContact CB-OD1 3.17Å; N203-N228 PolarHBondContact O-OD1 2.98Å
204	K	97	Very high	96.9	Very high	55 Å²	55	25.1 Å²	25.1	24%	0.239	13%	0.128	C	C	.	.			trans	-118.6	20.9	-170.4	-50.8	-58.5	176.7	-63.3	0	112.1	D169 L170 R171 D202 N228	D169-K204 WeakPolarHBondContact OD1-CE 3.48Å; D169-K204 WeakPolarHBondContact OD1-CG 3.4Å; D169-K204 IonicContact OD1-NZ 2.84Å; D169-K204 PolarHBondContact OD1-NZ 3.06Å; L170-K204 CarbonylContact O-C 3.03Å; L170-K204 VanDerWaalsContact O-CA 3.26Å; L170-K204 WeakPolarHBondContact O-CA 3.43Å; L170-K204 PolarHBondContact O-N 3.32Å; R171-K204 HydrophobicContact CG-CB 4.28Å; D202-K204 PolarHBondContact O-NZ 2.84Å; K204-N228 PolarHBondContact N-OD1 3.15Å
205	L	98.1	Very high	96.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.112	C	C	.	.			trans	-64.2	147.3	-179.2	-54.9	175.2	0	0	0	111.4	L170 L173 L200 N203 L225 N228 R229 F230	L170-L205 HydrophobicContact CB-CD2 4.09Å; L170-L205 WeakPolarHBondContact O-CD2 3.34Å; L170-L205 PolarHBondContact O-N 3Å; L170-L205 VanDerWaalsContact O-N 3.14Å; L173-L205 HydrophobicContact CD1-CD1 4.22Å; L173-L205 HydrophobicContact CD2-CD1 4.16Å; L173-L205 HydrophobicContact CD2-CD2 4.12Å; L173-L205 HydrophobicContact CG-CD1 4.13Å; L173-L205 HydrophobicContact CG-CD2 4Å; L200-L205 HydrophobicContact CB-CD1 4.35Å; L200-L205 HydrophobicContact CD1-CD1 4.25Å; N203-L205 HydrophobicContact CB-CG 4.32Å; L205-L225 HydrophobicContact CD1-CD2 4.16Å; L205-N228 VanDerWaalsContact CB-OD1 3.26Å; L205-N228 WeakPolarHBondContact CB-OD1 3.34Å; L205-N228 WeakPolarHBondContact CG-OD1 3.43Å; L205-N228 PolarHBondContact N-OD1 3.16Å; L205-R229 WeakPolarHBondContact O-CA 3.24Å; L205-R229 WeakPolarHBondContact O-CB 3.49Å; L205-R229 PolarHBondContact O-N 3.03Å; L205-F230 HydrophobicContact CB-CE1 4.27Å; L205-F230 HydrophobicContact CB-CE2 3.84Å; L205-F230 HydrophobicContact CB-CZ 3.48Å; L205-F230 VanDerWaalsContact CB-CZ 3.48Å; L205-F230 HydrophobicContact CD1-CZ 4.36Å
206	S	95.1	Very high	96.6	Very high	47 Å²	47	21.4 Å²	21.4	33%	0.329	11%	0.112	S	C	.	.			trans	-149.1	-16.5	-176.9	48.4	0	0	0	0	115.3	D210 F230	S206-D210 PolarHBondContact N-OD2 3.05Å; S206-F230 VanDerWaalsContact C-CD1 3.43Å; S206-F230 VanDerWaalsContact C-CE1 3.49Å; S206-F230 WeakPolarHBondContact O-CD1 3.47Å
207	D	93.2	Very high	96.6	Very high	49 Å²	49	19.6 Å²	19.6	26%	0.262	10%	0.104	S	C	.	.			trans	-100	149.7	-155.4	-69	11.7	0	0	0	111.9	K172 Q209 D210	K172-D207 WeakPolarHBondContact CE-OD2 3.29Å; K172-D207 IonicContact NZ-OD2 2.65Å; K172-D207 PolarHBondContact NZ-OD2 3.03Å; D207-Q209 PolarHBondContact O-N 3.22Å; D207-Q209 VanDerWaalsContact O-N 3.14Å; D207-D210 PolarHBondContact N-OD2 2.88Å; D207-D210 WeakPolarHBondContact O-CB 3.27Å; D207-D210 PolarHBondContact O-N 2.85Å
208	A	92.5	Very high	96.4	Very high	13 Å²	13	17.5 Å²	17.5	11%	0.107	9%	0.093	C	C	.	.	H	α-helix	trans	-61.3	-23.5	175.6	0	0	0	0	0	112.8	A212 P234 I371 E374	A208-A212 PolarHBondContact O-N 3.37Å; A208-P234 HydrophobicContact CB-CB 3.87Å; A208-P234 HydrophobicContact CB-CG 4.03Å; A208-I371 HydrophobicContact CB-CD1 3.78Å; A208-I371 HydrophobicContact CB-CG1 4.45Å; A208-E374 HydrophobicContact CB-CB 4.14Å; A208-E374 HydrophobicContact CB-CG 3.64Å
209	Q	95.2	Very high	96.3	Very high	88 Å²	88	23.1 Å²	23.1	41%	0.411	11%	0.114	S	C	.	.	H	α-helix	trans	-71.3	-30.9	174.3	-170	59.1	33.2	0	0	112.9	P175 D207 F211 A212 S213	P175-Q209 PolarHBondContact O-NE2 3.02Å; D207-Q209 PolarHBondContact O-N 3.22Å; D207-Q209 VanDerWaalsContact O-N 3.14Å; Q209-F211 VanDerWaalsContact C-N 3.34Å; Q209-F211 PolarHBondContact O-N 3.38Å; Q209-A212 WeakPolarHBondContact O-CB 3.5Å; Q209-A212 PolarHBondContact O-N 3.28Å; Q209-A212 VanDerWaalsContact O-N 3.15Å; Q209-S213 WeakPolarHBondContact O-CB 3.44Å; Q209-S213 PolarHBondContact O-N 2.87Å
210	D	97.4	Very high	96.3	Very high	2 Å²	2	22 Å²	22	1%	0.011	11%	0.109	C	C	.	.	H	α-helix	trans	-61.5	-47	175.7	-59.7	-41.7	0	0	0	109.6	K172 L173 S206 D207 A212 S213 L214 F230	K172-D210 VanDerWaalsContact CA-OD1 3.28Å; K172-D210 WeakPolarHBondContact CA-OD1 3.31Å; L173-D210 HydrophobicContact CD1-CB 4.12Å; L173-D210 HydrophobicContact CG-CB 4.33Å; L173-D210 PolarHBondContact N-OD1 2.82Å; S206-D210 PolarHBondContact N-OD2 3.05Å; D207-D210 PolarHBondContact N-OD2 2.88Å; D207-D210 WeakPolarHBondContact O-CB 3.27Å; D207-D210 PolarHBondContact O-N 2.85Å; D210-A212 PolarHBondContact O-N 2.76Å; D210-S213 PolarHBondContact O-N 3.42Å; D210-L214 WeakPolarHBondContact O-CB 3.46Å; D210-L214 WeakPolarHBondContact O-CD1 3.2Å; D210-L214 VanDerWaalsContact O-CG 3.24Å; D210-L214 WeakPolarHBondContact O-CG 3.39Å; D210-L214 PolarHBondContact O-N 3.47Å; D210-F230 HydrophobicContact CB-CE1 4.08Å; D210-F230 HydrophobicContact CB-CZ 4.04Å
211	F	96.8	Very high	96.3	Very high	1 Å²	1	23.8 Å²	23.8	0%	0.004	12%	0.12	C	C	.	.	H	α-helix	trans	-63.4	-37.7	172.1	-86.3	-71.8	0	0	0	113.4	Q209 G215 L225 F230 V233 P234 L236 F458 I464 L466 W483	Q209-F211 VanDerWaalsContact C-N 3.34Å; Q209-F211 PolarHBondContact O-N 3.38Å; F211-G215 PolarHBondContact O-N 3.37Å; F211-L225 HydrophobicContact CE1-CD1 3.77Å; F211-L225 HydrophobicContact CZ-CD1 3.89Å; F211-F230 AromaticContact CD2-CD1 3.91Å; F211-F230 HydrophobicContact CD2-CD1 3.91Å; F211-F230 AromaticContact CD2-CE1 3.76Å; F211-F230 HydrophobicContact CD2-CE1 3.76Å; F211-F230 HydrophobicContact CD2-CZ 4.36Å; F211-F230 HydrophobicContact CE2-CB 4.37Å; F211-F230 AromaticContact CE2-CD1 3.46Å; F211-F230 HydrophobicContact CE2-CD1 3.46Å; F211-F230 VanDerWaalsContact CE2-CD1 3.46Å; F211-F230 HydrophobicContact CE2-CD2 4.22Å; F211-F230 AromaticContact CE2-CE1 3.67Å; F211-F230 HydrophobicContact CE2-CE1 3.67Å; F211-F230 HydrophobicContact CE2-CE2 4.4Å; F211-F230 AromaticContact CE2-CG 3.76Å; F211-F230 HydrophobicContact CE2-CG 3.76Å; F211-F230 HydrophobicContact CE2-CZ 4.14Å; F211-F230 HydrophobicContact CZ-CD1 4.47Å; F211-F230 HydrophobicContact CZ-CG 4.42Å; F211-V233 HydrophobicContact CD1-CG1 4.26Å; F211-V233 HydrophobicContact CE1-CG1 3.98Å; F211-V233 HydrophobicContact CE2-CG1 4.46Å; F211-V233 HydrophobicContact CE2-CG2 4.41Å; F211-V233 HydrophobicContact CZ-CB 4.41Å; F211-V233 HydrophobicContact CZ-CG1 4.09Å; F211-V233 HydrophobicContact CZ-CG2 3.96Å; F211-P234 HydrophobicContact CB-CG 3.5Å; F211-P234 HydrophobicContact CD2-CG 4.11Å; F211-P234 HydrophobicContact CG-CG 4Å; F211-L236 WeakPolarHBondContact O-CD1 3.23Å; F211-F458 HydrophobicContact CD1-CE2 4.42Å; F211-F458 HydrophobicContact CD1-CZ 4.27Å; F211-I464 HydrophobicContact CE1-CD1 4.29Å; F211-L466 HydrophobicContact CE1-CD2 4.34Å; F211-L466 HydrophobicContact CZ-CD2 3.83Å; F211-W483 HydrophobicContact CE1-CH2 4.14Å
212	A	94.4	Very high	96.3	Very high	3 Å²	3	25.4 Å²	25.4	3%	0.025	13%	0.125	C	C	.	.	H	α-helix	trans	-62.9	-45.7	177.7	0	0	0	0	0	111.1	A208 Q209 D210 G215 T216 L236 V369 I371	A208-A212 PolarHBondContact O-N 3.37Å; Q209-A212 WeakPolarHBondContact O-CB 3.5Å; Q209-A212 PolarHBondContact O-N 3.28Å; Q209-A212 VanDerWaalsContact O-N 3.15Å; D210-A212 PolarHBondContact O-N 2.76Å; A212-G215 PolarHBondContact O-N 3.23Å; A212-T216 WeakPolarHBondContact O-CG2 3.45Å; A212-T216 PolarHBondContact O-N 3.01Å; A212-L236 HydrophobicContact CB-CD2 4.02Å; A212-V369 HydrophobicContact CB-CG1 4.12Å; A212-I371 HydrophobicContact CB-CD1 4.36Å; A212-I371 HydrophobicContact CB-CG1 3.99Å
213	S	96.2	Very high	96.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64.3	-49.9	177.1	-173.2	0	0	0	0	112.5	P174 P175 L177 Q209 D210 G215 T216	P174-S213 WeakPolarHBondContact O-CB 3.44Å; P174-S213 PolarHBondContact O-OG 2.78Å; P175-S213 WeakPolarHBondContact O-CB 3.39Å; L177-S213 WeakPolarHBondContact CG-OG 3.45Å; L177-S213 PolarHBondContact N-OG 2.83Å; Q209-S213 WeakPolarHBondContact O-CB 3.44Å; Q209-S213 PolarHBondContact O-N 2.87Å; D210-S213 PolarHBondContact O-N 3.42Å; S213-G215 PolarHBondContact O-N 2.95Å; S213-T216 WeakPolarHBondContact O-CB 3.34Å; S213-T216 WeakPolarHBondContact O-CG2 3.24Å; S213-T216 PolarHBondContact O-N 3.29Å; S213-T216 PolarHBondContact O-OG1 3.33Å
214	L	98.1	Very high	96.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-57.8	-34.1	173.7	-71	166.1	0	0	0	112.1	L173 L177 L198 L200 D210 T216 L217 L223 L225 F458	L173-L214 HydrophobicContact CD1-CD1 3.68Å; L173-L214 HydrophobicContact CD1-CD2 3.81Å; L173-L214 HydrophobicContact CD1-CG 3.5Å; L177-L214 HydrophobicContact CD1-CD2 3.96Å; L177-L214 HydrophobicContact CD1-CG 4.46Å; L198-L214 HydrophobicContact CD2-CD2 3.52Å; L200-L214 HydrophobicContact CD1-CD1 4.37Å; L200-L214 HydrophobicContact CD1-CD2 3.85Å; D210-L214 WeakPolarHBondContact O-CB 3.46Å; D210-L214 WeakPolarHBondContact O-CD1 3.2Å; D210-L214 VanDerWaalsContact O-CG 3.24Å; D210-L214 WeakPolarHBondContact O-CG 3.39Å; D210-L214 PolarHBondContact O-N 3.47Å; L214-T216 PolarHBondContact O-N 3.46Å; L214-L217 HydrophobicContact CD2-CD1 4.16Å; L214-L217 PolarHBondContact O-N 2.82Å; L214-L223 HydrophobicContact CD1-CD1 4.32Å; L214-L223 HydrophobicContact CD1-CD2 4.2Å; L214-L223 HydrophobicContact CD2-CD1 4.11Å; L214-L225 HydrophobicContact CD1-CD1 4.2Å; L214-L225 HydrophobicContact CD1-CD2 3.96Å; L214-F458 VanDerWaalsContact C-CE1 3.43Å; L214-F458 HydrophobicContact CB-CE1 3.86Å; L214-F458 HydrophobicContact CB-CZ 3.83Å; L214-F458 WeakPolarHBondContact O-CE1 3.42Å
215	G	95	Very high	96.5	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-17.9	176.7	0	0	0	0	0	114.5	F211 A212 S213 P367 F458	F211-G215 PolarHBondContact O-N 3.37Å; A212-G215 PolarHBondContact O-N 3.23Å; S213-G215 PolarHBondContact O-N 2.95Å; G215-P367 VanDerWaalsContact O-CG 3.25Å; G215-P367 WeakPolarHBondContact O-CG 3.47Å; G215-F458 PolarHBondContact O-N 3.12Å; G215-F458 VanDerWaalsContact O-N 3.16Å
216	T	94.8	Very high	96.4	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.012	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-18.2	178.7	73.5	0	0	0	0	113.9	D176 S178 A212 S213 L214 P367 V369	D176-T216 WeakPolarHBondContact OD1-CB 3.45Å; D176-T216 PolarHBondContact OD1-OG1 3.47Å; S178-T216 WeakPolarHBondContact CB-O 3.45Å; S178-T216 WeakPolarHBondContact CB-OG1 3.43Å; S178-T216 PolarHBondContact N-OG1 3.32Å; S178-T216 VanDerWaalsContact OG-CB 3.24Å; S178-T216 WeakPolarHBondContact OG-CB 3.3Å; S178-T216 PolarHBondContact OG-OG1 3.11Å; A212-T216 WeakPolarHBondContact O-CG2 3.45Å; A212-T216 PolarHBondContact O-N 3.01Å; S213-T216 WeakPolarHBondContact O-CB 3.34Å; S213-T216 WeakPolarHBondContact O-CG2 3.24Å; S213-T216 PolarHBondContact O-N 3.29Å; S213-T216 PolarHBondContact O-OG1 3.33Å; L214-T216 PolarHBondContact O-N 3.46Å; T216-P367 WeakPolarHBondContact O-CD 3.24Å; T216-V369 HydrophobicContact CG2-CB 4.05Å; T216-V369 HydrophobicContact CG2-CG2 3.93Å
217	L	97.5	Very high	96.4	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.016	11%	0.114	C	C	.	.			trans	-65.9	119	-174	-71.8	168.1	0	0	0	111.2	L177 F192 L195 L198 L214 R219 L220	L177-L217 HydrophobicContact CB-CD2 3.89Å; L177-L217 HydrophobicContact CB-CG 4.22Å; L177-L217 HydrophobicContact CD1-CD1 4.21Å; F192-L217 HydrophobicContact CB-CD2 3.5Å; F192-L217 VanDerWaalsContact CB-CD2 3.5Å; F192-L217 HydrophobicContact CD2-CD2 4.33Å; F192-L217 HydrophobicContact CG-CD2 4.12Å; L195-L217 HydrophobicContact CD2-CD1 4.2Å; L195-L217 HydrophobicContact CD2-CD2 4.35Å; L198-L217 HydrophobicContact CD2-CD1 4.08Å; L214-L217 HydrophobicContact CD2-CD1 4.16Å; L214-L217 PolarHBondContact O-N 2.82Å; L217-R219 VanDerWaalsContact C-N 3.3Å; L217-R219 PolarHBondContact O-N 3.14Å; L217-L220 HydrophobicContact CB-CB 3.92Å; L217-L220 HydrophobicContact CD1-CD1 4.46Å; L217-L220 HydrophobicContact CD1-CD2 3.95Å
218	P	94.5	Very high	96.7	Very high	3 Å²	3	21.2 Å²	21.2	2%	0.019	10%	0.103	C	C	.	.	S	Bend	trans	-74.1	-15.9	-164	28.9	-37.1	0	0	0	114.5	N365 A366 F460	P218-N365 HydrophobicContact CB-CB 4.21Å; P218-A366 HydrophobicContact CB-CB 4.44Å; P218-F460 WeakPolarHBondContact O-CD2 3.28Å; P218-F460 WeakPolarHBondContact O-CE2 3.37Å
219	R	96.7	Very high	96.9	Very high	124 Å²	124	26.2 Å²	26.2	47%	0.468	12%	0.119	S	C	.	.	S	Bend	trans	-129.2	-2	-174.3	-71.5	-169.3	-178.3	-139.9	-0.1	115.3	S193 L195 E196 L217 T221	S193-R219 WeakPolarHBondContact O-CD 3.26Å; S193-R219 PolarHBondContact O-NE 2.96Å; L195-R219 CarbonylContact O-C 3.17Å; L195-R219 WeakPolarHBondContact O-CB 3.18Å; E196-R219 HydrophobicContact CG-CB 4.22Å; E196-R219 IonicContact OE1-NH1 3.11Å; L217-R219 VanDerWaalsContact C-N 3.3Å; L217-R219 PolarHBondContact O-N 3.14Å; R219-T221 WeakPolarHBondContact O-CG2 3.47Å; R219-T221 PolarHBondContact O-N 2.92Å
220	L	98.5	Very high	96.9	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	10%	0.1	C	C	.	.			trans	-56.8	125.7	-172.5	-170.6	69.1	0	0	0	111.6	L195 L198 L217 Y222 L223 F458 F460 L461	L195-L220 PolarHBondContact O-N 3.46Å; L198-L220 HydrophobicContact CB-CD1 3.71Å; L217-L220 HydrophobicContact CB-CB 3.92Å; L217-L220 HydrophobicContact CD1-CD1 4.46Å; L217-L220 HydrophobicContact CD1-CD2 3.95Å; L220-Y222 WeakPolarHBondContact CD1-O 3.23Å; L220-L223 HydrophobicContact CD2-CB 4.1Å; L220-L223 HydrophobicContact CD2-CD1 4.36Å; L220-L223 HydrophobicContact CD2-CD2 4.13Å; L220-L223 HydrophobicContact CD2-CG 4.43Å; L220-F458 HydrophobicContact CD2-CD1 4.46Å; L220-F458 HydrophobicContact CD2-CE1 4.28Å; L220-F460 CarbonylContact O-C 2.96Å; L220-L461 HydrophobicContact CD2-CD1 4.15Å; L220-L461 HydrophobicContact CG-CD1 4.03Å; L220-L461 VanDerWaalsContact O-CA 3.23Å; L220-L461 WeakPolarHBondContact O-CA 3.2Å; L220-L461 PolarHBondContact O-N 3.09Å
221	T	98.3	Very high	96.6	Very high	39 Å²	39	24.6 Å²	24.6	24%	0.239	12%	0.115	C	C	.	.			trans	-114.8	-33.4	-176.1	72.5	0	0	0	0	113.3	E196 R219 F460 Q462 S463	E196-T221 HydrophobicContact CB-CG2 4.47Å; E196-T221 HydrophobicContact CG-CG2 4.49Å; E196-T221 WeakPolarHBondContact O-CA 3.28Å; E196-T221 WeakPolarHBondContact O-CB 3.21Å; E196-T221 PolarHBondContact O-N 3.12Å; E196-T221 PolarHBondContact O-OG1 3.35Å; R219-T221 WeakPolarHBondContact O-CG2 3.47Å; R219-T221 PolarHBondContact O-N 2.92Å; T221-F460 HydrophobicContact CG2-CB 4.43Å; T221-Q462 PolarHBondContact O-N 3.45Å; T221-S463 PolarHBondContact O-N 3.31Å
222	Y	98.5	Very high	96.3	Very high	55 Å²	55	25 Å²	25	22%	0.216	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	138	175.5	178	-84.9	0	0	0	109.9	E196 I197 L198 H199 L220 N224 S463	E196-Y222 PolarHBondContact O-N 3.15Å; E196-Y222 VanDerWaalsContact O-N 3.17Å; I197-Y222 HydrophobicContact CG2-CD1 3.82Å; I197-Y222 HydrophobicContact CG2-CG 4.43Å; L198-Y222 PolarHBondContact N-O 2.97Å; L198-Y222 VanDerWaalsContact N-O 3.1Å; H199-Y222 AromaticContact CE1-CE1 3.85Å; H199-Y222 AromaticContact NE2-CE1 3.44Å; H199-Y222 WeakPolarHBondContact NE2-CE1 3.46Å; L220-Y222 WeakPolarHBondContact CD1-O 3.23Å; Y222-N224 HydrophobicContact CE1-CB 3.87Å; Y222-S463 WeakPolarHBondContact CA-O 3.41Å
223	L	98.7	Very high	96.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	117.6	-179.2	174.9	57.3	0	0	0	110.1	L198 L214 L220 L225 F458 L461 S463 I464 D465	L198-L223 HydrophobicContact CB-CD1 4.33Å; L198-L223 HydrophobicContact CD2-CD1 4.41Å; L198-L223 HydrophobicContact CG-CD1 4.38Å; L198-L223 WeakPolarHBondContact O-CA 3.41Å; L214-L223 HydrophobicContact CD1-CD1 4.32Å; L214-L223 HydrophobicContact CD1-CD2 4.2Å; L214-L223 HydrophobicContact CD2-CD1 4.11Å; L220-L223 HydrophobicContact CD2-CB 4.1Å; L220-L223 HydrophobicContact CD2-CD1 4.36Å; L220-L223 HydrophobicContact CD2-CD2 4.13Å; L220-L223 HydrophobicContact CD2-CG 4.43Å; L223-L225 HydrophobicContact CD1-CD2 4.15Å; L223-L225 HydrophobicContact CD1-CG 4.07Å; L223-L225 HydrophobicContact CD2-CD1 4.03Å; L223-L225 HydrophobicContact CD2-CG 4.38Å; L223-L225 HydrophobicContact CG-CD1 4.2Å; L223-L225 HydrophobicContact CG-CG 4.01Å; L223-F458 HydrophobicContact CD2-CE1 3.95Å; L223-F458 HydrophobicContact CD2-CZ 4.36Å; L223-L461 HydrophobicContact CB-CD1 3.73Å; L223-S463 PolarHBondContact N-O 3.15Å; L223-I464 HydrophobicContact CB-CG1 4.27Å; L223-I464 HydrophobicContact CD2-CD1 4.01Å; L223-I464 HydrophobicContact CD2-CG1 4.36Å; L223-I464 HydrophobicContact CG-CD1 4.46Å; L223-I464 HydrophobicContact CG-CG1 4.29Å; L223-I464 WeakPolarHBondContact O-CA 3.48Å; L223-D465 PolarHBondContact O-N 3.08Å
224	N	98.2	Very high	96	Very high	15 Å²	15	25 Å²	25	8%	0.08	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	121.4	170.2	-165.9	-0.5	0	0	0	110.8	L198 H199 L200 D201 Y222 A226 D465	L198-N224 PolarHBondContact O-N 3.4Å; H199-N224 PolarHBondContact ND1-ND2 3.04Å; L200-N224 CarbonylContact C-O 3.55Å; L200-N224 WeakPolarHBondContact CA-O 3.35Å; L200-N224 PolarHBondContact N-O 3.28Å; D201-N224 WeakPolarHBondContact CB-ND2 3.43Å; D201-N224 WeakPolarHBondContact OD1-CB 3.29Å; D201-N224 PolarHBondContact OD1-ND2 2.79Å; Y222-N224 HydrophobicContact CE1-CB 3.87Å; N224-A226 WeakPolarHBondContact OD1-CB 3.48Å; N224-A226 PolarHBondContact OD1-N 2.93Å; N224-D465 WeakPolarHBondContact OD1-CB 3.46Å
225	L	98.4	Very high	95.6	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.118	C	C	.	.			trans	-123	22.4	171.9	-63.3	170.8	0	0	0	110.9	L200 L205 F211 L214 L223 N228 F230 I464 D465 L466 N469	L200-L225 HydrophobicContact CB-CD2 3.86Å; L200-L225 HydrophobicContact CD1-CD2 4.13Å; L205-L225 HydrophobicContact CD1-CD2 4.16Å; F211-L225 HydrophobicContact CE1-CD1 3.77Å; F211-L225 HydrophobicContact CZ-CD1 3.89Å; L214-L225 HydrophobicContact CD1-CD1 4.2Å; L214-L225 HydrophobicContact CD1-CD2 3.96Å; L223-L225 HydrophobicContact CD1-CD2 4.15Å; L223-L225 HydrophobicContact CD1-CG 4.07Å; L223-L225 HydrophobicContact CD2-CD1 4.03Å; L223-L225 HydrophobicContact CD2-CG 4.38Å; L223-L225 HydrophobicContact CG-CD1 4.2Å; L223-L225 HydrophobicContact CG-CG 4.01Å; L225-N228 WeakPolarHBondContact O-CB 3.37Å; L225-N228 PolarHBondContact O-ND2 2.88Å; L225-N228 VanDerWaalsContact O-ND2 3.16Å; L225-F230 HydrophobicContact CB-CD2 4.47Å; L225-F230 HydrophobicContact CB-CE2 4.11Å; L225-F230 HydrophobicContact CD1-CE2 3.97Å; L225-F230 HydrophobicContact CD1-CZ 4.47Å; L225-F230 HydrophobicContact CD2-CE2 4.06Å; L225-F230 HydrophobicContact CG-CE2 4.28Å; L225-I464 HydrophobicContact CD1-CD1 4.42Å; L225-D465 CarbonylContact C-O 3.33Å; L225-D465 WeakPolarHBondContact CA-O 3.2Å; L225-D465 PolarHBondContact N-O 3.49Å; L225-L466 HydrophobicContact CB-CD2 4.23Å; L225-L466 HydrophobicContact CD1-CD2 4.06Å; L225-N469 PolarHBondContact O-ND2 2.77Å
226	A	96.6	Very high	95.3	Very high	13 Å²	13	25.1 Å²	25.1	11%	0.107	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	149.5	-179.7	0	0	0	0	0	112.2	D201 D202 N224 N228 S467	D201-A226 CarbonylContact C-O 3.04Å; D201-A226 WeakPolarHBondContact CA-O 3.38Å; D201-A226 HydrophobicContact CB-CB 4.11Å; D202-A226 PolarHBondContact N-O 2.82Å; N224-A226 WeakPolarHBondContact OD1-CB 3.48Å; N224-A226 PolarHBondContact OD1-N 2.93Å; A226-N228 PolarHBondContact O-N 3Å; A226-N228 VanDerWaalsContact O-N 3.09Å; A226-N228 PolarHBondContact O-ND2 3.15Å; A226-N228 VanDerWaalsContact O-ND2 3.1Å; A226-S467 CarbonylContact C-O 3.55Å; A226-S467 VanDerWaalsContact CA-O 3.24Å; A226-S467 WeakPolarHBondContact CA-O 3.39Å; A226-S467 WeakPolarHBondContact CB-OG 3.29Å
227	N	95.9	Very high	94.9	Very high	78 Å²	78	29 Å²	29	42%	0.417	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	27.6	177.5	-160.6	33.2	0	0	0	115	D202 S467 H468	D202-N227 WeakPolarHBondContact OD1-CB 3.41Å; D202-N227 PolarHBondContact OD1-ND2 3.34Å; N227-S467 PolarHBondContact N-O 3.42Å; N227-H468 HydrophobicContact CB-CB 3.95Å
228	N	97.8	Very high	94.4	Very high	5 Å²	5	30.1 Å²	30.1	3%	0.027	14%	0.143	C	C	.	.	S	Bend	trans	-91.1	-168.1	167.8	-80.4	-94.8	0	0	0	110.5	L200 N203 K204 L205 L225 A226 F230 N469	L200-N228 PolarHBondContact O-ND2 3.47Å; N203-N228 WeakPolarHBondContact CB-OD1 3.17Å; N203-N228 PolarHBondContact O-OD1 2.98Å; K204-N228 PolarHBondContact N-OD1 3.15Å; L205-N228 VanDerWaalsContact CB-OD1 3.26Å; L205-N228 WeakPolarHBondContact CB-OD1 3.34Å; L205-N228 WeakPolarHBondContact CG-OD1 3.43Å; L205-N228 PolarHBondContact N-OD1 3.16Å; L225-N228 WeakPolarHBondContact O-CB 3.37Å; L225-N228 PolarHBondContact O-ND2 2.88Å; L225-N228 VanDerWaalsContact O-ND2 3.16Å; A226-N228 PolarHBondContact O-N 3Å; A226-N228 VanDerWaalsContact O-N 3.09Å; A226-N228 PolarHBondContact O-ND2 3.15Å; A226-N228 VanDerWaalsContact O-ND2 3.1Å; N228-F230 HydrophobicContact CB-CD2 3.85Å; N228-F230 HydrophobicContact CB-CE2 3.88Å; N228-N469 WeakPolarHBondContact CB-OD1 3.26Å; N228-N469 PolarHBondContact O-OD1 3.05Å
229	R	96.8	Very high	93.8	Very high	119 Å²	119	32.2 Å²	32.2	45%	0.449	16%	0.156	S	C	.	.			trans	-111.5	9.9	-171.2	-60.8	175.6	171.2	-178.7	-5.5	113.9	L205 T231 N469	L205-R229 WeakPolarHBondContact O-CA 3.24Å; L205-R229 WeakPolarHBondContact O-CB 3.49Å; L205-R229 PolarHBondContact O-N 3.03Å; R229-T231 PolarHBondContact O-N 3.04Å; R229-N469 PolarHBondContact N-OD1 3.35Å
230	F	95.9	Very high	92.8	Very high	1 Å²	1	30.6 Å²	30.6	0%	0.004	16%	0.162	C	C	.	.			trans	-59.6	130	-176.3	-63.5	-70.3	0	0	0	112.2	L205 S206 D210 F211 L225 N228 N469 K470 I471	L205-F230 HydrophobicContact CB-CE1 4.27Å; L205-F230 HydrophobicContact CB-CE2 3.84Å; L205-F230 HydrophobicContact CB-CZ 3.48Å; L205-F230 VanDerWaalsContact CB-CZ 3.48Å; L205-F230 HydrophobicContact CD1-CZ 4.36Å; S206-F230 VanDerWaalsContact C-CD1 3.43Å; S206-F230 VanDerWaalsContact C-CE1 3.49Å; S206-F230 WeakPolarHBondContact O-CD1 3.47Å; D210-F230 HydrophobicContact CB-CE1 4.08Å; D210-F230 HydrophobicContact CB-CZ 4.04Å; F211-F230 AromaticContact CD2-CD1 3.91Å; F211-F230 HydrophobicContact CD2-CD1 3.91Å; F211-F230 AromaticContact CD2-CE1 3.76Å; F211-F230 HydrophobicContact CD2-CE1 3.76Å; F211-F230 HydrophobicContact CD2-CZ 4.36Å; F211-F230 HydrophobicContact CE2-CB 4.37Å; F211-F230 AromaticContact CE2-CD1 3.46Å; F211-F230 HydrophobicContact CE2-CD1 3.46Å; F211-F230 VanDerWaalsContact CE2-CD1 3.46Å; F211-F230 HydrophobicContact CE2-CD2 4.22Å; F211-F230 AromaticContact CE2-CE1 3.67Å; F211-F230 HydrophobicContact CE2-CE1 3.67Å; F211-F230 HydrophobicContact CE2-CE2 4.4Å; F211-F230 AromaticContact CE2-CG 3.76Å; F211-F230 HydrophobicContact CE2-CG 3.76Å; F211-F230 HydrophobicContact CE2-CZ 4.14Å; F211-F230 HydrophobicContact CZ-CD1 4.47Å; F211-F230 HydrophobicContact CZ-CG 4.42Å; L225-F230 HydrophobicContact CB-CD2 4.47Å; L225-F230 HydrophobicContact CB-CE2 4.11Å; L225-F230 HydrophobicContact CD1-CE2 3.97Å; L225-F230 HydrophobicContact CD1-CZ 4.47Å; L225-F230 HydrophobicContact CD2-CE2 4.06Å; L225-F230 HydrophobicContact CG-CE2 4.28Å; N228-F230 HydrophobicContact CB-CD2 3.85Å; N228-F230 HydrophobicContact CB-CE2 3.88Å; F230-N469 WeakPolarHBondContact CB-OD1 3.33Å; F230-N469 WeakPolarHBondContact CD2-OD1 3.33Å; F230-N469 PolarHBondContact N-OD1 2.91Å; F230-K470 CarbonylContact O-C 3.46Å; F230-K470 WeakPolarHBondContact O-CA 3.4Å; F230-K470 PolarHBondContact O-N 2.95Å; F230-I471 PolarHBondContact O-N 2.86Å
231	T	91.2	Very high	91.1	Very high	54 Å²	54	35.3 Å²	35.3	33%	0.331	19%	0.186	S	C	.	.	S	Bend	trans	-100.6	-18.8	175.6	55.3	0	0	0	0	112.6	R229 K470 H476	R229-T231 PolarHBondContact O-N 3.04Å; T231-K470 HydrophobicContact CG2-CB 3.92Å; T231-H476 PolarHBondContact O-ND1 3.1Å
232	T	90	Very high	89.2	Confident	11 Å²	11	42.1 Å²	42.1	7%	0.067	21%	0.213	C	C	.	.			trans	-151	154.1	-175.4	-173.9	0	0	0	0	110.2	E374 F375	T232-E374 WeakPolarHBondContact CG2-O 3.37Å; T232-E374 PolarHBondContact OG1-O 3.49Å; T232-F375 HydrophobicContact CG2-CD1 3.77Å; T232-F375 HydrophobicContact CG2-CE1 3.51Å; T232-F375 HydrophobicContact CG2-CG 4.41Å; T232-F375 HydrophobicContact CG2-CZ 3.96Å
233	V	92.8	Very high	87	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.24	C	C	.	.			trans	-101.8	125.1	162.9	-175	0	0	0	0	107.4	F211 L466 I471 H476 L477 P479 I480 W483	F211-V233 HydrophobicContact CD1-CG1 4.26Å; F211-V233 HydrophobicContact CE1-CG1 3.98Å; F211-V233 HydrophobicContact CE2-CG1 4.46Å; F211-V233 HydrophobicContact CE2-CG2 4.41Å; F211-V233 HydrophobicContact CZ-CB 4.41Å; F211-V233 HydrophobicContact CZ-CG1 4.09Å; F211-V233 HydrophobicContact CZ-CG2 3.96Å; V233-L466 HydrophobicContact CG2-CD1 3.88Å; V233-I471 HydrophobicContact CG2-CD1 4.41Å; V233-H476 PolarHBondContact N-O 2.87Å; V233-L477 HydrophobicContact CG2-CD2 4.27Å; V233-P479 HydrophobicContact CG1-CB 4.38Å; V233-P479 VanDerWaalsContact O-CG 3.28Å; V233-P479 WeakPolarHBondContact O-CG 3.42Å; V233-I480 HydrophobicContact CB-CG2 4.4Å; V233-I480 HydrophobicContact CG1-CG2 4.05Å; V233-I480 HydrophobicContact CG2-CG2 4.22Å; V233-W483 HydrophobicContact CG1-CH2 3.79Å; V233-W483 HydrophobicContact CG1-CZ2 3.53Å
234	P	91.6	Very high	84.2	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.006	27%	0.273	C	S	.	.			trans	-74.6	153.6	-177.5	31.2	-36.4	0	0	0	112.6	A208 F211 L236 I371 D373 P479	A208-P234 HydrophobicContact CB-CB 3.87Å; A208-P234 HydrophobicContact CB-CG 4.03Å; F211-P234 HydrophobicContact CB-CG 3.5Å; F211-P234 HydrophobicContact CD2-CG 4.11Å; F211-P234 HydrophobicContact CG-CG 4Å; P234-L236 HydrophobicContact CB-CD2 4.33Å; P234-L236 HydrophobicContact CG-CD2 3.98Å; P234-L236 HydrophobicContact CG-CG 4.4Å; P234-L236 PolarHBondContact O-N 3.41Å; P234-I371 HydrophobicContact CB-CG2 4.48Å; P234-D373 CarbonylContact C-O 3.58Å; P234-D373 WeakPolarHBondContact CA-O 3.13Å; P234-D373 WeakPolarHBondContact CB-O 3.35Å; P234-P479 VanDerWaalsContact O-CB 3.27Å; P234-P479 WeakPolarHBondContact O-CB 3.23Å
235	L	89	Confident	81	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	111.7	166.3	-179.1	54.9	0	0	0	109.8	V372 D373 L376 K383 L384 L387 P479 V482	L235-V372 HydrophobicContact CB-CB 4.28Å; L235-V372 HydrophobicContact CD2-CB 4.25Å; L235-V372 HydrophobicContact CD2-CG1 4.21Å; L235-V372 HydrophobicContact CG-CB 3.99Å; L235-V372 HydrophobicContact CG-CG1 4.47Å; L235-V372 HydrophobicContact CG-CG2 4.38Å; L235-V372 WeakPolarHBondContact O-CA 3.44Å; L235-V372 VanDerWaalsContact O-CB 3.26Å; L235-V372 WeakPolarHBondContact O-CB 3.24Å; L235-V372 WeakPolarHBondContact O-CG2 3.44Å; L235-V372 PolarHBondContact O-N 2.92Å; L235-D373 HydrophobicContact CB-CB 4.16Å; L235-D373 PolarHBondContact N-O 3.16Å; L235-L376 HydrophobicContact CB-CD1 4.36Å; L235-L376 HydrophobicContact CD2-CD1 3.93Å; L235-K383 HydrophobicContact CD2-CB 3.83Å; L235-K383 HydrophobicContact CD2-CD 4.44Å; L235-L384 HydrophobicContact CD1-CD2 3.54Å; L235-L384 HydrophobicContact CD2-CD2 3.9Å; L235-L384 HydrophobicContact CG-CD2 4.28Å; L235-L387 HydrophobicContact CD1-CD1 4.16Å; L235-P479 HydrophobicContact CB-CB 4.41Å; L235-P479 HydrophobicContact CB-CG 4.18Å; L235-P479 HydrophobicContact CD1-CB 4.49Å; L235-V482 HydrophobicContact CD1-CG1 4.35Å; L235-V482 HydrophobicContact CD1-CG2 4.34Å
236	L	90.4	Very high	78	Confident	2 Å²	2	69.9 Å²	69.9	1%	0.01	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	147	176.7	-56	178.8	0	0	0	110.9	F211 A212 P234 V369 I371 P457 F458	F211-L236 WeakPolarHBondContact O-CD1 3.23Å; A212-L236 HydrophobicContact CB-CD2 4.02Å; P234-L236 HydrophobicContact CB-CD2 4.33Å; P234-L236 HydrophobicContact CG-CD2 3.98Å; P234-L236 HydrophobicContact CG-CG 4.4Å; P234-L236 PolarHBondContact O-N 3.41Å; L236-V369 HydrophobicContact CB-CG1 3.96Å; L236-V369 HydrophobicContact CD1-CG1 4.12Å; L236-V369 HydrophobicContact CD2-CG1 3.88Å; L236-V369 HydrophobicContact CG-CG1 4.19Å; L236-I371 HydrophobicContact CD2-CG1 4.16Å; L236-P457 HydrophobicContact CB-CB 3.98Å; L236-P457 HydrophobicContact CB-CG 3.83Å; L236-P457 HydrophobicContact CD1-CB 4.25Å; L236-F458 HydrophobicContact CD1-CD2 4.19Å; L236-F458 HydrophobicContact CD1-CE2 3.67Å
237	K	85.7	Confident	75	Confident	83 Å²	83	75.5 Å²	75.5	36%	0.361	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	156.3	163.4	76	-173.2	172.5	-170.9	0	110.5	R370 V372	K237-R370 HydrophobicContact CG-CG 3.8Å; K237-R370 PolarHBondContact N-O 2.97Å; K237-R370 WeakPolarHBondContact O-CG 3.14Å; K237-R370 PolarHBondContact O-N 3.21Å; K237-V372 HydrophobicContact CB-CG2 3.77Å; K237-V372 HydrophobicContact CD-CG2 3.49Å; K237-V372 VanDerWaalsContact CD-CG2 3.49Å; K237-V372 HydrophobicContact CG-CG2 3.41Å; K237-V372 VanDerWaalsContact CG-CG2 3.41Å
238	S	88	Confident	71.8	Confident	27 Å²	27	81.4 Å²	81.4	19%	0.189	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	153.8	173.6	-48.1	0	0	0	0	112.3	R368 V454 P455 P456 P457	S238-R368 CarbonylContact C-O 3.53Å; S238-R368 VanDerWaalsContact CA-O 3.22Å; S238-R368 WeakPolarHBondContact CA-O 3.4Å; S238-V454 VanDerWaalsContact CB-CG1 3.46Å; S238-P455 WeakPolarHBondContact CB-O 3.5Å; S238-P455 PolarHBondContact OG-O 3Å; S238-P456 WeakPolarHBondContact OG-CA 3.33Å; S238-P457 VanDerWaalsContact OG-CD 3.29Å; S238-P457 WeakPolarHBondContact OG-CD 3.28Å
239	T	81.8	Confident	68.5	Low	47 Å²	47	85 Å²	85	29%	0.288	43%	0.427	S	S	.	.			trans	-107.1	143	170.1	49.7	0	0	0	0	111.3	R368 R370 V454	T239-R368 PolarHBondContact N-O 3.15Å; T239-R368 WeakPolarHBondContact OG1-CB 3.32Å; T239-R368 PolarHBondContact OG1-O 3.26Å; T239-R370 HydrophobicContact CG2-CB 4.4Å; T239-R370 HydrophobicContact CG2-CG 3.78Å; T239-V454 VanDerWaalsContact O-CG1 3.29Å; T239-V454 WeakPolarHBondContact O-CG1 3.38Å
240	P	74.9	Confident	65.4	Low	91 Å²	91	87.3 Å²	87.3	59%	0.591	44%	0.443	S	S	*	.			trans	-66.1	150.7	167.7	30.4	-34.5	0	0	0	110	K242 V454	P240-K242 PolarHBondContact O-N 3.12Å; P240-V454 HydrophobicContact CB-CG2 4Å
241	L	63.8	Low	62.1	Low	100 Å²	100	94.8 Å²	94.8	52%	0.524	48%	0.483	S	S	.	.			trans	-56.7	123.2	167.8	-178.1	68.6	0	0	0	108.9	K243	L241-K243 VanDerWaalsContact C-N 3.32Å; L241-K243 PolarHBondContact O-N 2.99Å
242	K	57.5	Low	59.1	Low	182 Å²	182	98.2 Å²	98.2	79%	0.791	50%	0.5	S	S	*	.			trans	-68.1	96.6	160.7	-73.6	-178.4	-179	175.4	0	106.9	P240 H244	P240-K242 PolarHBondContact O-N 3.12Å; K242-H244 PolarHBondContact O-N 3.13Å; K242-H244 VanDerWaalsContact O-N 3.16Å
243	K	51.9	Low	56	Low	184 Å²	184	102.9 Å²	102.9	80%	0.8	53%	0.533	S	S	*	.			trans	-57.2	120.6	153.6	-73.4	-168.3	173.4	-165.6	0	106.1	L241 Q245	L241-K243 VanDerWaalsContact C-N 3.32Å; L241-K243 PolarHBondContact O-N 2.99Å; K243-Q245 PolarHBondContact O-N 3.19Å
244	H	40.9	Very low	52.8	Low	147 Å²	147	107.6 Å²	107.6	68%	0.681	57%	0.572	S	S	*	*			trans	-58.7	132.2	161.2	-80.8	-109.2	0	0	0	106.9	K242 I246	K242-H244 PolarHBondContact O-N 3.13Å; K242-H244 VanDerWaalsContact O-N 3.16Å; H244-I246 PolarHBondContact O-N 2.8Å
245	Q	30	Very low	49.6	Very low	179 Å²	179	114.2 Å²	114.2	84%	0.836	61%	0.606	S	S	*	*			trans	-72.1	86.3	169.5	-74.4	179.6	-11.8	0	0	106.7	K243 N247	K243-Q245 PolarHBondContact O-N 3.19Å; Q245-N247 VanDerWaalsContact C-N 3.32Å; Q245-N247 PolarHBondContact O-N 2.69Å
246	I	35.9	Very low	46.6	Very low	143 Å²	143	122.3 Å²	122.3	73%	0.733	64%	0.643	S	S	*	*			trans	-58.5	105.7	158.9	-62.1	167.6	0	0	0	104.2	H244 E248	H244-I246 PolarHBondContact O-N 2.8Å; I246-E248 PolarHBondContact O-N 3.02Å
247	N	32.9	Very low	43.4	Very low	130 Å²	130	128.6 Å²	128.6	70%	0.695	68%	0.677	S	S	*	*			trans	-56.1	133.8	179.3	-64	-49.6	0	0	0	108	Q245 A249	Q245-N247 VanDerWaalsContact C-N 3.32Å; Q245-N247 PolarHBondContact O-N 2.69Å; N247-A249 PolarHBondContact O-N 3.48Å
248	E	28.6	Very low	40.3	Very low	202 Å²	202	131.9 Å²	131.9	94%	0.944	70%	0.697	S	S	*	*	S	Bend	trans	-71.2	25.4	-173.2	-59.7	176.9	136.1	0	0	113.4	I246	I246-E248 PolarHBondContact O-N 3.02Å
249	A	29	Very low	37.4	Very low	81 Å²	81	135.4 Å²	135.4	67%	0.669	72%	0.719	S	S	*	*			trans	-102.4	42.1	-170.1	0	0	0	0	0	113.3	N247	N247-A249 PolarHBondContact O-N 3.48Å
250	Q	32.4	Very low	34.8	Very low	168 Å²	168	140.7 Å²	140.7	79%	0.785	74%	0.738	S	S	*	*			trans	-160.6	92.8	148.1	-110.5	154.6	35.5	0	0	112	N252	Q250-N252 VanDerWaalsContact C-N 3.26Å; Q250-N252 PolarHBondContact O-N 2.99Å
251	N	25.2	Very low	32.3	Very low	157 Å²	157	144.3 Å²	144.3	84%	0.84	75%	0.752	S	S	*	*			trans	-73.8	73.4	173.6	-179.9	29.1	0	0	0	111.1
252	N	28.1	Very low	30.3	Very low	126 Å²	126	148.6 Å²	148.6	67%	0.674	77%	0.766	S	S	*	*			trans	-110.6	99.1	171.5	-77.9	-8.5	0	0	0	109.5	Q250	Q250-N252 VanDerWaalsContact C-N 3.26Å; Q250-N252 PolarHBondContact O-N 2.99Å
253	S	25.1	Very low	28.5	Very low	110 Å²	110	145.5 Å²	145.5	77%	0.769	77%	0.767	S	S	*	*			trans	-63	158.5	167.8	48.5	0	0	0	0	111.6
254	A	26.4	Very low	27	Very low	98 Å²	98	141.9 Å²	141.9	81%	0.81	76%	0.761	S	S	*	*			trans	72.4	59.4	-179.2	0	0	0	0	0	116.8
255	I	23.8	Very low	26	Very low	141 Å²	141	140.3 Å²	140.3	72%	0.723	76%	0.762	S	S	*	*			trans	-120.3	67.3	147.4	-50.3	179.5	0	0	0	108	I258	I255-I258 HydrophobicContact CG2-CD1 4.28Å; I255-I258 HydrophobicContact CG2-CG1 4.12Å
256	E	25.7	Very low	25.7	Very low	171 Å²	171	140.2 Å²	140.2	80%	0.799	77%	0.766	S	S	*	*			trans	-102.5	128.3	169.9	-170.1	175.8	-132.6	0	0	108.1
257	N	24.2	Very low	25	Very low	134 Å²	134	139.8 Å²	139.8	72%	0.717	77%	0.765	S	S	*	*			trans	69	104.1	-166.9	-44	-83.7	0	0	0	114.2	P259	N257-P259 WeakPolarHBondContact O-CD 3.43Å
258	I	20.8	Very low	24.5	Very low	151 Å²	151	142 Å²	142	77%	0.774	77%	0.772	S	S	*	*			trans	-100.1	102.5	148.9	-62.3	176.5	0	0	0	105.9	I255	I255-I258 HydrophobicContact CG2-CD1 4.28Å; I255-I258 HydrophobicContact CG2-CG1 4.12Å
259	P	26.3	Very low	24.2	Very low	101 Å²	101	137.9 Å²	137.9	66%	0.656	76%	0.76	S	S	*	*			trans	-70.4	141.7	173.8	-14.9	30.8	0	0	0	110.1	N257 L261	N257-P259 WeakPolarHBondContact O-CD 3.43Å; P259-L261 PolarHBondContact O-N 3.24Å
260	F	27.1	Very low	23.8	Very low	158 Å²	158	140.6 Å²	140.6	69%	0.693	77%	0.769	S	S	*	*			trans	-51.4	137.6	173.2	-124.3	-111.1	0	0	0	111	K262	F260-K262 PolarHBondContact O-N 2.91Å
261	L	23.1	Very low	23.4	Very low	168 Å²	168	141.6 Å²	141.6	88%	0.88	77%	0.773	S	S	*	*			trans	-67.7	92.5	-173.6	-81.6	167.8	0	0	0	111.7	P259 S263	P259-L261 PolarHBondContact O-N 3.24Å; L261-S263 VanDerWaalsContact C-N 3.28Å; L261-S263 PolarHBondContact O-N 3.28Å
262	K	21.4	Very low	23.2	Very low	190 Å²	190	142.6 Å²	142.6	83%	0.826	77%	0.773	S	S	*	*			trans	-82.6	71.1	177.3	-159.4	174.3	-168.4	176.1	0	110.4	F260 T264	F260-K262 PolarHBondContact O-N 2.91Å; K262-T264 PolarHBondContact O-N 3.23Å
263	S	20.8	Very low	22.9	Very low	116 Å²	116	143.1 Å²	143.1	81%	0.811	78%	0.775	S	S	*	*			trans	-63.7	97.7	176	41.9	0	0	0	0	110.8	L261 T265	L261-S263 VanDerWaalsContact C-N 3.28Å; L261-S263 PolarHBondContact O-N 3.28Å; S263-T265 PolarHBondContact O-N 3.04Å
264	T	20.1	Very low	22.7	Very low	109 Å²	109	142.7 Å²	142.7	67%	0.669	77%	0.772	S	S	*	*			trans	-73.3	116.5	-177.8	48.1	0	0	0	0	111.8	K262 L266	K262-T264 PolarHBondContact O-N 3.23Å; T264-L266 PolarHBondContact O-N 3.05Å
265	T	20.2	Very low	22.4	Very low	113 Å²	113	144.5 Å²	144.5	69%	0.693	77%	0.768	S	S	*	*			trans	33	83.7	141.8	56.7	0	0	0	0	116.3	S263 N267	S263-T265 PolarHBondContact O-N 3.04Å; T265-N267 PolarHBondContact O-N 3.48Å
266	L	22	Very low	22.2	Very low	178 Å²	178	145.6 Å²	145.6	93%	0.932	77%	0.774	S	S	*	*			trans	-84.3	97.5	152.2	-75.8	176.5	0	0	0	108.3	T264	T264-L266 PolarHBondContact O-N 3.05Å
267	N	22.6	Very low	21.9	Very low	133 Å²	133	143.5 Å²	143.5	71%	0.711	77%	0.767	S	S	*	*			trans	-76.8	126.4	159.8	-57.6	-27.9	0	0	0	107.2	T265	T265-N267 PolarHBondContact O-N 3.48Å
268	E	22.6	Very low	21.7	Very low	178 Å²	178	141.7 Å²	141.7	83%	0.832	77%	0.765	S	S	*	*				178.9	146.1	126.8	-99	164.6	-159.6	0	0	113.7
269	T	22.2	Very low	21.8	Very low	115 Å²	115	142.5 Å²	142.5	71%	0.706	77%	0.765	S	S	*	*			trans	35.4	96.6	156.6	58.6	0	0	0	0	120.1	Q271	T269-Q271 PolarHBondContact O-N 2.86Å
270	T	21	Very low	21.5	Very low	137 Å²	137	145.1 Å²	145.1	84%	0.84	77%	0.774	S	S	*	*				17.9	102.6	122.1	55.3	0	0	0	0	118
271	Q	22.9	Very low	21.3	Very low	190 Å²	190	146.5 Å²	146.5	89%	0.888	78%	0.782	S	S	*	*			trans	-138.9	129.7	146.5	-110.7	168.7	-0.9	0	0	109.6	T269 D273	T269-Q271 PolarHBondContact O-N 2.86Å; Q271-D273 PolarHBondContact O-N 3.33Å
272	H	20.4	Very low	21.2	Very low	178 Å²	178	147.3 Å²	147.3	82%	0.824	78%	0.782	S	S	*	*			trans	-75.9	116	171.7	-91.5	-103	0	0	0	108.7
273	D	22.7	Very low	21.4	Very low	137 Å²	137	142.9 Å²	142.9	73%	0.733	78%	0.775	S	S	*	*			trans	-135	94.4	156.2	-108.5	-39.3	0	0	0	109.1	Q271 L275	Q271-D273 PolarHBondContact O-N 3.33Å; D273-L275 PolarHBondContact O-N 3.19Å
274	S	19.6	Very low	21.6	Very low	101 Å²	101	145 Å²	145	71%	0.706	77%	0.772	S	S	*	*			trans	-76.5	61.4	178.3	-60.4	0	0	0	0	110.9	L276	S274-L276 VanDerWaalsContact C-N 3.34Å; S274-L276 PolarHBondContact O-N 3.12Å
275	L	20.4	Very low	22	Very low	135 Å²	135	146.2 Å²	146.2	71%	0.707	77%	0.774	S	S	*	*			trans	-72	91	175.3	-70.9	-178.3	0	0	0	110.4	D273 I277	D273-L275 PolarHBondContact O-N 3.19Å; L275-I277 VanDerWaalsContact C-N 3.35Å; L275-I277 PolarHBondContact O-N 3.46Å
276	L	19.2	Very low	22.2	Very low	165 Å²	165	147.4 Å²	147.4	86%	0.864	78%	0.776	S	S	*	*			trans	-57.4	90.6	167	-75.9	160.8	0	0	0	110.6	S274 S278	S274-L276 VanDerWaalsContact C-N 3.34Å; S274-L276 PolarHBondContact O-N 3.12Å; L276-S278 VanDerWaalsContact C-N 3.28Å; L276-S278 PolarHBondContact O-N 2.98Å
277	I	21.3	Very low	22.5	Very low	126 Å²	126	146.9 Å²	146.9	65%	0.646	77%	0.769	S	S	*	*			trans	-86.9	76.5	166.9	-56.9	-177.9	0	0	0	108.1	L275 H279	L275-I277 VanDerWaalsContact C-N 3.35Å; L275-I277 PolarHBondContact O-N 3.46Å; I277-H279 HydrophobicContact CG2-CB 4.41Å; I277-H279 PolarHBondContact O-N 3.2Å
278	S	18.7	Very low	22.6	Very low	97 Å²	97	145 Å²	145	68%	0.678	77%	0.766	S	S	*	*			trans	-71.1	100.8	162	56.2	0	0	0	0	108.3	L276	L276-S278 VanDerWaalsContact C-N 3.28Å; L276-S278 PolarHBondContact O-N 2.98Å
279	H	22.5	Very low	22.6	Very low	167 Å²	167	143 Å²	143	77%	0.773	76%	0.761	S	S	*	*			trans	-114.6	123.5	170.4	-78.7	-2.9	0	0	0	109.4	I277	I277-H279 HydrophobicContact CG2-CB 4.41Å; I277-H279 PolarHBondContact O-N 3.2Å
280	N	20.3	Very low	23	Very low	157 Å²	157	142.3 Å²	142.3	84%	0.84	76%	0.756	S	S	*	*			trans	-65.1	147.7	-169.6	-66.2	-11.3	0	0	0	112.1	Q282	N280-Q282 PolarHBondContact O-N 3.15Å
281	E	22.7	Very low	23.4	Very low	186 Å²	186	141 Å²	141	87%	0.869	74%	0.743	S	S	*	*	S	Bend	trans	-57.8	119	156.6	-56.2	171.2	124.6	0	0	109.2
282	Q	22	Very low	23.9	Very low	185 Å²	185	139.6 Å²	139.6	86%	0.864	74%	0.741	S	S	*	*			trans	176	50.3	153.3	-99.5	164.7	24.4	0	0	111.3	N280 E284	N280-Q282 PolarHBondContact O-N 3.15Å; Q282-E284 PolarHBondContact O-N 2.88Å
283	S	24.8	Very low	24.5	Very low	97 Å²	97	134.5 Å²	134.5	68%	0.678	74%	0.737	S	S	*	*			trans	-78.3	89.7	159.8	51.8	0	0	0	0	108.8	D285	S283-D285 VanDerWaalsContact C-N 3.3Å; S283-D285 PolarHBondContact O-N 3.35Å
284	E	25.7	Very low	24.7	Very low	161 Å²	161	137.6 Å²	137.6	75%	0.752	74%	0.738	S	S	*	*			trans	-67.3	93	164.8	-71.6	-168.9	153.3	0	0	108.8	Q282 N286	Q282-E284 PolarHBondContact O-N 2.88Å; E284-N286 VanDerWaalsContact C-N 3.29Å; E284-N286 PolarHBondContact O-N 2.67Å; E284-N286 PolarHBondContact O-ND2 2.97Å
285	D	27.6	Very low	25.2	Very low	135 Å²	135	137.3 Å²	137.3	72%	0.722	74%	0.735	S	S	*	*			trans	-66.2	88.2	178.4	-72.4	-42.5	0	0	0	110.5	S283 E287	S283-D285 VanDerWaalsContact C-N 3.3Å; S283-D285 PolarHBondContact O-N 3.35Å; D285-E287 PolarHBondContact O-N 2.88Å
286	N	24.9	Very low	25.4	Very low	137 Å²	137	138.9 Å²	138.9	73%	0.733	74%	0.741	S	S	*	*			trans	-73.7	66.5	178.2	-85.7	-99.7	0	0	0	110.2	E284 S288	E284-N286 VanDerWaalsContact C-N 3.29Å; E284-N286 PolarHBondContact O-N 2.67Å; E284-N286 PolarHBondContact O-ND2 2.97Å; N286-S288 VanDerWaalsContact C-N 3.34Å; N286-S288 PolarHBondContact O-N 2.69Å
287	E	27.7	Very low	26	Very low	167 Å²	167	140.2 Å²	140.2	78%	0.78	74%	0.74	S	S	*	*			trans	-63.4	87.7	177.2	-70	-156.2	136.5	0	0	111.5	D285 L289	D285-E287 PolarHBondContact O-N 2.88Å; E287-L289 VanDerWaalsContact C-N 3.34Å; E287-L289 PolarHBondContact O-N 2.9Å
288	S	24.6	Very low	26.3	Very low	94 Å²	94	139.8 Å²	139.8	66%	0.657	74%	0.743	S	S	*	*			trans	-69.2	88	176.3	65.6	0	0	0	0	111.2	N286 V290	N286-S288 VanDerWaalsContact C-N 3.34Å; N286-S288 PolarHBondContact O-N 2.69Å; S288-V290 WeakPolarHBondContact O-CG2 3.32Å; S288-V290 PolarHBondContact O-N 2.88Å
289	L	24.5	Very low	26.6	Very low	136 Å²	136	139.5 Å²	139.5	71%	0.712	74%	0.741	S	S	*	*			trans	-69.8	101.5	-169	-136.6	165.6	0	0	0	112.2	E287 I291	E287-L289 VanDerWaalsContact C-N 3.34Å; E287-L289 PolarHBondContact O-N 2.9Å; L289-I291 HydrophobicContact CD2-CD1 4.23Å; L289-I291 HydrophobicContact CD2-CG1 3.99Å; L289-I291 PolarHBondContact O-N 3.42Å
290	V	30	Very low	26.8	Very low	101 Å²	101	141.2 Å²	141.2	61%	0.612	74%	0.742	S	S	*	*			trans	-85.6	103.2	-175.8	-176.8	0	0	0	0	111.8	S288	S288-V290 WeakPolarHBondContact O-CG2 3.32Å; S288-V290 PolarHBondContact O-N 2.88Å
291	I	29.7	Very low	26.9	Very low	110 Å²	110	142 Å²	142	56%	0.564	74%	0.74	S	S	*	*	B	Isolated β-bridge	trans	-105	128.2	171.7	-59.3	179.6	0	0	0	110.1	L289 G293 R294	L289-I291 HydrophobicContact CD2-CD1 4.23Å; L289-I291 HydrophobicContact CD2-CG1 3.99Å; L289-I291 PolarHBondContact O-N 3.42Å; I291-G293 PolarHBondContact O-N 3.5Å; I291-R294 PolarHBondContact O-N 3.15Å
292	N	33.4	Very low	27	Very low	160 Å²	160	141.7 Å²	141.7	86%	0.856	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	48.8	35.5	174.4	-63.4	-25.1	0	0	0	115.3	R294	N292-R294 VanDerWaalsContact C-N 3.29Å; N292-R294 PolarHBondContact O-N 3.04Å
293	G	32.8	Very low	27	Very low	70 Å²	70	141.4 Å²	141.4	72%	0.722	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	70.8	16	175	0	0	0	0	0	115.4	I291	I291-G293 PolarHBondContact O-N 3.5Å
294	R	27	Very low	26.9	Very low	202 Å²	202	148.6 Å²	148.6	76%	0.762	75%	0.747	S	S	*	*	B	Isolated β-bridge	trans	-118.1	111.1	174.4	-69.9	-174.1	176	-176.3	-1.6	110.7	I291 N292 M296	I291-R294 PolarHBondContact O-N 3.15Å; N292-R294 VanDerWaalsContact C-N 3.29Å; N292-R294 PolarHBondContact O-N 3.04Å; R294-M296 PolarHBondContact O-N 3.49Å
295	C	29.7	Very low	26.7	Very low	96 Å²	96	146.5 Å²	146.5	65%	0.649	74%	0.741	S	S	*	*			trans	-73.4	111.6	169.2	-179.4	0	0	0	0	109.4
296	M	24.9	Very low	26.5	Very low	168 Å²	168	145.3 Å²	145.3	83%	0.828	74%	0.744	S	S	*	*			trans	-97.4	114.3	173.9	-72.8	-83.3	-74.6	0	0	108.5	R294	R294-M296 PolarHBondContact O-N 3.49Å
297	K	31.4	Very low	26.3	Very low	192 Å²	192	145.7 Å²	145.7	84%	0.835	75%	0.745	S	S	*	*			trans	-81.6	121.9	170.8	-70.4	-171.8	173.9	-170.3	0	109.7	S299	K297-S299 PolarHBondContact O-N 3.02Å
298	T	26.5	Very low	26.2	Very low	117 Å²	117	145.1 Å²	145.1	72%	0.718	75%	0.748	S	S	*	*			trans	-75.1	99.2	170.9	36	0	0	0	0	109.9	Y300	T298-Y300 PolarHBondContact O-N 3.14Å
299	S	26.9	Very low	26.1	Very low	92 Å²	92	145.7 Å²	145.7	64%	0.643	75%	0.752	S	S	*	*			trans	-80.1	80.2	-175.2	57.2	0	0	0	0	112.8	K297 H301	K297-S299 PolarHBondContact O-N 3.02Å; S299-H301 PolarHBondContact O-N 3.4Å
300	Y	25.6	Very low	26.2	Very low	202 Å²	202	144.3 Å²	144.3	79%	0.792	75%	0.754	S	S	*	*			trans	-72.9	91.6	167.8	-76.3	-82	0	0	0	110.6	T298 H302	T298-Y300 PolarHBondContact O-N 3.14Å; Y300-H302 VanDerWaalsContact C-N 3.31Å; Y300-H302 PolarHBondContact O-N 2.85Å
301	H	23.2	Very low	25.8	Very low	173 Å²	173	146.9 Å²	146.9	80%	0.801	76%	0.764	S	S	*	*			trans	-74.8	73.6	177.8	-90.6	-77.2	0	0	0	112.4	S299 K303	S299-H301 PolarHBondContact O-N 3.4Å; H301-K303 PolarHBondContact O-N 3.12Å
302	H	25.1	Very low	25.5	Very low	181 Å²	181	145.7 Å²	145.7	84%	0.838	77%	0.766	S	S	*	*			trans	-77.1	108.7	162.3	-90.2	-77.1	0	0	0	110.6	Y300 W304	Y300-H302 VanDerWaalsContact C-N 3.31Å; Y300-H302 PolarHBondContact O-N 2.85Å; H302-W304 PolarHBondContact O-N 2.92Å
303	K	21.2	Very low	25.3	Very low	178 Å²	178	145.8 Å²	145.8	77%	0.774	77%	0.766	S	S	*	*			trans	-89.4	85.3	-172.1	-176.1	-175.3	177.9	-176.5	0	110.6	H301 N305	H301-K303 PolarHBondContact O-N 3.12Å; K303-N305 PolarHBondContact O-N 2.82Å
304	W	23.1	Very low	24.8	Very low	249 Å²	249	151.6 Å²	151.6	94%	0.943	77%	0.771	S	S	*	*			trans	-81.7	106.3	171.4	-140.3	-42.2	0	0	0	109.8	H302	H302-W304 PolarHBondContact O-N 2.92Å
305	N	20.7	Very low	24.9	Very low	116 Å²	116	151.6 Å²	151.6	62%	0.62	78%	0.777	S	S	*	*			trans	-72.7	126.9	166.7	-76.2	8	0	0	0	108.9	K303	K303-N305 PolarHBondContact O-N 2.82Å
306	S	23.7	Very low	24.6	Very low	111 Å²	111	155.4 Å²	155.4	78%	0.776	79%	0.785	S	S	*	*			trans	-154	100.9	155.7	-157.1	0	0	0	0	108.5	N308	S306-N308 PolarHBondContact O-N 3.1Å
307	D	20.8	Very low	24.5	Very low	144 Å²	144	155.5 Å²	155.5	77%	0.77	79%	0.788	S	S	*	*			trans	-72.6	123.4	179.8	-62.3	-77.9	0	0	0	110.6
308	N	25.8	Very low	24	Very low	155 Å²	155	152 Å²	152	83%	0.829	78%	0.783	S	S	*	*			trans	-161.6	98.2	154.7	-103.7	-48.6	0	0	0	113.1	S306	S306-N308 PolarHBondContact O-N 3.1Å
309	S	21.6	Very low	23.9	Very low	106 Å²	106	153.2 Å²	153.2	74%	0.741	79%	0.785	S	S	*	*				48.6	147.8	129.2	-152.5	0	0	0	0	122.7
310	S	26.7	Very low	23.8	Very low	108 Å²	108	156.4 Å²	156.4	76%	0.755	80%	0.795	S	S	*	*			trans	58.2	98.9	174.1	57.7	0	0	0	0	115.3
311	D	22.7	Very low	23.6	Very low	154 Å²	154	155.1 Å²	155.1	82%	0.824	80%	0.801	S	S	*	*			cis	80.8	136.5	40.8	-160.5	22.5	0	0	0	115.7
312	S	23.7	Very low	23.5	Very low	86 Å²	86	152.6 Å²	152.6	60%	0.601	80%	0.801	S	S	*	*			trans	59.9	95.6	173	73.8	0	0	0	0	118.1
313	N	28.1	Very low	23.4	Very low	162 Å²	162	153.3 Å²	153.3	87%	0.866	80%	0.802	S	S	*	*				-169.5	152.3	94.1	-105.3	-72.3	0	0	0	115.1
314	K	22.9	Very low	23.4	Very low	191 Å²	191	153 Å²	153	83%	0.83	81%	0.807	S	S	*	*			trans	-93	134.2	175.4	-61.6	163.5	-179.4	167.8	0	109.9
315	K	28.3	Very low	23.5	Very low	202 Å²	202	146.8 Å²	146.8	88%	0.878	80%	0.796	S	S	*	*				-175.8	156.3	127.4	-101.6	153.7	-172.7	176	0	113.3
316	Q	23.4	Very low	23.5	Very low	176 Å²	176	148.7 Å²	148.7	82%	0.822	81%	0.806	S	S	*	*			trans	-72.6	146.4	175.7	-53.8	128.4	-69	0	0	110.8
317	L	23.4	Very low	23.4	Very low	170 Å²	170	153.2 Å²	153.2	89%	0.89	81%	0.812	S	S	*	*				-167.4	113.5	123.5	-106	160.2	0	0	0	110.4
318	T	21.3	Very low	23.5	Very low	119 Å²	119	158.1 Å²	158.1	73%	0.73	82%	0.82	S	S	*	*			trans	-88.6	152.4	171.3	41.5	0	0	0	0	110.8
319	N	23.4	Very low	23.2	Very low	142 Å²	142	156.4 Å²	156.4	76%	0.759	82%	0.82	S	S	*	*			trans	69.7	128	170.9	-52.9	-14.6	0	0	0	116.7
320	N	24.3	Very low	23.2	Very low	159 Å²	159	158.9 Å²	158.9	85%	0.85	82%	0.824	S	S	*	*			trans	143.1	9.8	150.8	-72.5	-26.9	0	0	0	115.9	C322	N320-C322 PolarHBondContact O-N 2.81Å
321	L	22.6	Very low	23.1	Very low	175 Å²	175	162.6 Å²	162.6	92%	0.916	83%	0.83	S	S	*	*			trans	-77.1	46.6	179.2	-70	176.3	0	0	0	115.3
322	C	20.1	Very low	23	Very low	120 Å²	120	163.7 Å²	163.7	81%	0.811	83%	0.827	S	S	*	*			trans	-132.8	66.3	170.4	-76.8	0	0	0	0	111.3	N320	N320-C322 PolarHBondContact O-N 2.81Å
323	K	22.8	Very low	22.9	Very low	197 Å²	197	165.6 Å²	165.6	86%	0.857	84%	0.837	S	S	*	*			trans	-171.6	77.7	165.3	-108.8	160.5	-172.3	177.5	0	112
324	I	23.2	Very low	22.6	Very low	170 Å²	170	164.5 Å²	164.5	87%	0.872	83%	0.832	S	S	*	*			trans	-123.8	95.4	162.4	-59.2	-178.8	0	0	0	107.1
325	V	23.2	Very low	22.7	Very low	119 Å²	119	163.7 Å²	163.7	72%	0.721	84%	0.836	S	S	*	*			trans	-111.3	123.1	177.9	174.8	0	0	0	0	108.8
326	N	21.7	Very low	22.2	Very low	156 Å²	156	161.6 Å²	161.6	83%	0.834	83%	0.834	S	S	*	*			trans	27.6	102	157.7	-58.9	-8.3	0	0	0	118.1
327	K	22.3	Very low	22	Very low	206 Å²	206	157.6 Å²	157.6	90%	0.896	83%	0.825	S	S	*	*			trans	-136.9	95.2	154.9	-75.9	-169.8	176.6	-177.5	0	111.1
328	R	21.4	Very low	21.8	Very low	248 Å²	248	154.6 Å²	154.6	94%	0.936	82%	0.819	S	S	*	*			trans	-134.1	155	155.4	-74.4	-166.7	172.3	-179	-1.9	108.7
329	S	20	Very low	21.9	Very low	119 Å²	119	157.3 Å²	157.3	83%	0.832	83%	0.828	S	S	*	*			trans	-69.5	147.1	-146.2	-54.7	0	0	0	0	116.7
330	L	21.1	Very low	21.8	Very low	157 Å²	157	157.4 Å²	157.4	82%	0.822	83%	0.834	S	S	*	*			trans	-78.2	134.8	155	-107.3	68.8	0	0	0	109.3
331	E	24.9	Very low	21.8	Very low	187 Å²	187	153 Å²	153	87%	0.874	83%	0.825	S	S	*	*			trans	-126.2	152.8	151.9	-68.5	-162.7	157.4	0	0	109.4
332	K	21.4	Very low	21.9	Very low	176 Å²	176	154.6 Å²	154.6	77%	0.765	83%	0.825	S	S	*	*			trans	-113.1	136.8	-163.9	-63.3	177.5	-179.6	176.9	0	112.8
333	P	21.2	Very low	22	Very low	127 Å²	127	158.2 Å²	158.2	83%	0.825	83%	0.83	S	S	*	*			trans	-108.6	106.9	148.5	31.9	-20.7	0	0	0	110.2
334	N	21.9	Very low	22.1	Very low	139 Å²	139	154.3 Å²	154.3	74%	0.743	83%	0.828	S	S	*	*			trans	-78.7	120.7	164.5	-79.2	2.5	0	0	0	108.6
335	N	24.9	Very low	22.2	Very low	173 Å²	173	155.3 Å²	155.3	93%	0.925	83%	0.829	S	S	*	*			trans	-152.8	168	158.3	-103.5	-38.3	0	0	0	111.5
336	L	18.2	Very low	22.2	Very low	158 Å²	158	157.9 Å²	157.9	83%	0.827	83%	0.833	S	S	*	*			trans	-108.1	167.6	-149.5	-161	64.9	0	0	0	114.5
337	S	18.5	Very low	22.2	Very low	92 Å²	92	158.9 Å²	158.9	64%	0.643	83%	0.833	S	S	*	*			trans	68.5	94.1	152.1	45	0	0	0	0	119.6
338	S	20.4	Very low	22.2	Very low	108 Å²	108	157.2 Å²	157.2	76%	0.755	83%	0.828	S	S	*	*				50.3	109.1	123.7	62.9	0	0	0	0	120.5
339	L	23.1	Very low	22.3	Very low	175 Å²	175	153.9 Å²	153.9	92%	0.916	82%	0.823	S	S	*	*			trans	-135.6	140.1	135.6	-105.7	169.5	0	0	0	109	G341	L339-G341 PolarHBondContact O-N 3.43Å
340	T	21.1	Very low	22.4	Very low	145 Å²	145	155.3 Å²	155.3	89%	0.89	82%	0.821	S	S	*	*			trans	-95.2	98.3	-169.2	51.3	0	0	0	0	112.4
341	G	23.8	Very low	22.6	Very low	65 Å²	65	154.7 Å²	154.7	67%	0.67	82%	0.817	S	S	*	*			trans	-119.4	139.2	166.1	0	0	0	0	0	110.5	L339 E343	L339-G341 PolarHBondContact O-N 3.43Å; G341-E343 PolarHBondContact O-N 2.95Å
342	K	24.1	Very low	22.6	Very low	209 Å²	209	149.9 Å²	149.9	91%	0.909	80%	0.801	S	S	*	*			trans	-89.7	93.8	177.7	-68.9	179.8	-179.5	177.3	0	110
343	E	23.4	Very low	22.8	Very low	196 Å²	196	148.1 Å²	148.1	92%	0.916	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-71.5	140.5	169	-66.9	-173.1	140.9	0	0	110.4	G341	G341-E343 PolarHBondContact O-N 2.95Å
344	S	23.4	Very low	23.2	Very low	116 Å²	116	151.3 Å²	151.3	81%	0.811	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-91.8	156.3	-172.9	-65.3	0	0	0	0	111.6
345	Q	25.6	Very low	23.8	Very low	191 Å²	191	150 Å²	150	89%	0.893	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-63.2	137.1	-172.1	-67.4	174.3	-45.4	0	0	112.6	Q347	Q345-Q347 PolarHBondContact O-N 3.3Å
346	E	23	Very low	24.5	Very low	172 Å²	172	148.1 Å²	148.1	80%	0.804	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-60.5	117.1	176.8	-60.7	170.7	105.3	0	0	111.2
347	Q	22.7	Very low	26	Very low	178 Å²	178	143.8 Å²	143.8	83%	0.832	77%	0.771	S	S	*	*			trans	-108.5	97.9	161.7	-68.7	-169.3	4.7	0	0	108.2	Q345 Q349	Q345-Q347 PolarHBondContact O-N 3.3Å; Q347-Q349 PolarHBondContact O-N 3.36Å
348	Q	22.7	Very low	27.8	Very low	171 Å²	171	142.5 Å²	142.5	80%	0.799	76%	0.756	S	S	*	*			trans	-66.8	99.6	177.6	-74.8	171.3	-16.2	0	0	109.7	N350	Q348-N350 PolarHBondContact O-N 3.29Å; Q348-N350 VanDerWaalsContact O-N 3.12Å
349	Q	22.9	Very low	29.6	Very low	177 Å²	177	142 Å²	142	83%	0.827	75%	0.745	S	S	*	*			trans	-66.3	108.4	172.9	-70.1	-179.2	-17.8	0	0	108.9	Q347 I351	Q347-Q349 PolarHBondContact O-N 3.36Å; Q349-I351 PolarHBondContact O-N 3.44Å
350	N	23	Very low	31.4	Very low	150 Å²	150	140 Å²	140	80%	0.802	73%	0.731	S	S	*	*			trans	-63.7	103.9	165.5	-84.4	-37	0	0	0	108.2	Q348 T352	Q348-N350 PolarHBondContact O-N 3.29Å; Q348-N350 VanDerWaalsContact O-N 3.12Å; N350-T352 PolarHBondContact O-N 3.01Å
351	I	24	Very low	33.7	Very low	144 Å²	144	137 Å²	137	74%	0.738	71%	0.706	S	S	*	*			trans	-70.4	84.6	169.1	-56.9	176.3	0	0	0	107.1	Q349 N353	Q349-I351 PolarHBondContact O-N 3.44Å; I351-N353 PolarHBondContact O-N 3.25Å; I351-N353 VanDerWaalsContact O-N 3.13Å
352	T	25.6	Very low	36.3	Very low	85 Å²	85	136 Å²	136	52%	0.521	68%	0.682	S	S	.	*			trans	-71	103	170.6	-55.9	0	0	0	0	107.6	N350 Y354	N350-T352 PolarHBondContact O-N 3.01Å; T352-Y354 VanDerWaalsContact C-N 3.28Å; T352-Y354 HydrophobicContact CG2-CD2 4.34Å; T352-Y354 HydrophobicContact CG2-CE1 4.43Å; T352-Y354 HydrophobicContact CG2-CE2 4.02Å; T352-Y354 WeakPolarHBondContact O-CD2 3.36Å; T352-Y354 PolarHBondContact O-N 2.8Å
353	N	26	Very low	39.1	Very low	139 Å²	139	126.5 Å²	126.5	74%	0.743	64%	0.642	S	S	*	*			trans	-64.4	89.3	173.8	-75	-3.7	0	0	0	109.9	I351 S355	I351-N353 PolarHBondContact O-N 3.25Å; I351-N353 VanDerWaalsContact O-N 3.13Å; N353-S355 PolarHBondContact O-N 3.24Å
354	Y	29.3	Very low	42	Very low	195 Å²	195	121.9 Å²	121.9	77%	0.765	63%	0.629	S	S	*	*			trans	-69.7	82.4	163.9	-66.6	-81.8	0	0	0	108.5	T352 L356	T352-Y354 VanDerWaalsContact C-N 3.28Å; T352-Y354 HydrophobicContact CG2-CD2 4.34Å; T352-Y354 HydrophobicContact CG2-CE1 4.43Å; T352-Y354 HydrophobicContact CG2-CE2 4.02Å; T352-Y354 WeakPolarHBondContact O-CD2 3.36Å; T352-Y354 PolarHBondContact O-N 2.8Å; Y354-L356 PolarHBondContact O-N 3.32Å
355	S	34.5	Very low	44.9	Very low	111 Å²	111	121.1 Å²	121.1	78%	0.776	62%	0.615	S	S	*	*			trans	-56.7	107.2	160	-73.1	0	0	0	0	107.4	N353 S357	N353-S355 PolarHBondContact O-N 3.24Å; S355-S357 PolarHBondContact O-N 2.82Å
356	L	38.2	Very low	47.9	Very low	134 Å²	134	112.2 Å²	112.2	70%	0.702	58%	0.575	S	S	*	*			trans	-59.8	102.3	179.6	-69.7	172.4	0	0	0	108.5	Y354 L358	Y354-L356 PolarHBondContact O-N 3.32Å; L356-L358 PolarHBondContact O-N 2.91Å
357	S	51	Low	51	Low	67 Å²	67	104.1 Å²	104.1	47%	0.469	54%	0.537	S	S	.	.			trans	-71.7	106.7	-178.8	-168.4	0	0	0	0	108.3	S355 D359 E360	S355-S357 PolarHBondContact O-N 2.82Å; S357-D359 PolarHBondContact O-N 3.36Å; S357-E360 PolarHBondContact O-N 3.06Å
358	L	56.8	Low	54	Low	64 Å²	64	98 Å²	98	34%	0.335	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-21.4	177.8	-68.9	169.3	0	0	0	112.7	T180 L182 L356 E360 H361	T180-L358 HydrophobicContact CG2-CD2 3.94Å; L182-L358 HydrophobicContact CD1-CD1 4.19Å; L182-L358 HydrophobicContact CD1-CD2 4.05Å; L182-L358 HydrophobicContact CD2-CD2 3.8Å; L182-L358 HydrophobicContact CG-CD1 4.23Å; L182-L358 HydrophobicContact CG-CD2 3.75Å; L356-L358 PolarHBondContact O-N 2.91Å; L358-E360 PolarHBondContact O-N 3.25Å; L358-H361 CarbonylContact O-C 3.53Å; L358-H361 PolarHBondContact O-N 3.43Å; L358-H361 VanDerWaalsContact O-N 3.15Å
359	D	56.5	Low	57.2	Low	98 Å²	98	91 Å²	91	52%	0.524	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-26.5	173.4	-140.7	-19.9	0	0	0	113.2	S357 R368	S357-D359 PolarHBondContact O-N 3.36Å; D359-R368 PolarHBondContact O-NH2 3.26Å; D359-R368 IonicContact OD1-CZ 3.32Å; D359-R368 VanDerWaalsContact OD1-CZ 3.25Å; D359-R368 IonicContact OD1-NH1 2.7Å; D359-R368 PolarHBondContact OD1-NH1 3.21Å; D359-R368 IonicContact OD1-NH2 3.25Å; D359-R368 PolarHBondContact OD1-NH2 3.08Å
360	E	62.2	Low	60.2	Low	134 Å²	134	88.8 Å²	88.8	63%	0.626	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-42.1	171.2	-60	-157.3	152.4	0	0	111.5	S357 L358 R362	S357-E360 PolarHBondContact O-N 3.06Å; L358-E360 PolarHBondContact O-N 3.25Å; E360-R362 VanDerWaalsContact C-N 3.34Å; E360-R362 PolarHBondContact O-N 3.31Å; E360-R362 VanDerWaalsContact O-N 3.13Å
361	H	69.7	Low	63.3	Low	80 Å²	80	83.5 Å²	83.5	37%	0.37	43%	0.431	S	S	.	.	S	Bend	trans	-88.8	55.6	-175.6	-63.3	-71.6	0	0	0	112.9	T180 I188 F190 L358	T180-H361 WeakPolarHBondContact CB-O 3.48Å; T180-H361 WeakPolarHBondContact CG2-O 3.43Å; T180-H361 PolarHBondContact OG1-O 2.98Å; I188-H361 HydrophobicContact CD1-CB 3.93Å; I188-H361 HydrophobicContact CG2-CB 4.34Å; F190-H361 WeakPolarHBondContact CE1-O 3.19Å; L358-H361 CarbonylContact O-C 3.53Å; L358-H361 PolarHBondContact O-N 3.43Å; L358-H361 VanDerWaalsContact O-N 3.15Å
362	R	76.7	Confident	66	Low	44 Å²	44	78.4 Å²	78.4	17%	0.166	41%	0.406	C	S	.	.			trans	-98.1	142.4	176.1	-172.3	169.9	172.9	149.3	0.4	113.3	D176 S178 T180 E360 P364	D176-R362 IonicContact OD1-CZ 3.68Å; D176-R362 IonicContact OD1-NH1 3.75Å; D176-R362 IonicContact OD1-NH2 3.15Å; D176-R362 PolarHBondContact OD1-NH2 3.05Å; D176-R362 IonicContact OD2-CZ 2.65Å; D176-R362 IonicContact OD2-NH1 2.67Å; D176-R362 PolarHBondContact OD2-NH1 2.87Å; D176-R362 IonicContact OD2-NH2 2.88Å; D176-R362 PolarHBondContact OD2-NH2 2.91Å; S178-R362 PolarHBondContact OG-NH2 2.87Å; T180-R362 WeakPolarHBondContact OG1-CA 3.49Å; E360-R362 VanDerWaalsContact C-N 3.34Å; E360-R362 PolarHBondContact O-N 3.31Å; E360-R362 VanDerWaalsContact O-N 3.13Å; R362-P364 WeakPolarHBondContact O-CD 3.36Å; R362-P364 VanDerWaalsContact O-N 3.15Å
363	N	84.9	Confident	68.4	Low	11 Å²	11	75.6 Å²	75.6	6%	0.059	39%	0.388	C	S	.	.			trans	-48.7	116.3	175.3	-177.7	-13.3	0	0	0	111.6	F190 N365 A366	F190-N363 HydrophobicContact CB-CB 3.99Å; F190-N363 HydrophobicContact CD1-CB 3.76Å; F190-N363 HydrophobicContact CD2-CB 3.97Å; F190-N363 HydrophobicContact CE1-CB 4.22Å; F190-N363 HydrophobicContact CE2-CB 4.4Å; F190-N363 HydrophobicContact CG-CB 3.63Å; N363-N365 PolarHBondContact O-N 2.78Å; N363-N365 VanDerWaalsContact O-N 3.16Å; N363-N365 PolarHBondContact OD1-N 3.02Å; N363-A366 HydrophobicContact CB-CB 3.86Å; N363-A366 PolarHBondContact O-N 3.24Å
364	P	82.4	Confident	70.8	Confident	99 Å²	99	73.6 Å²	73.6	64%	0.643	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-14.9	-174.2	28	-35.8	0	0	0	113.9	R362	R362-P364 WeakPolarHBondContact O-CD 3.36Å; R362-P364 VanDerWaalsContact O-N 3.15Å
365	N	86.3	Confident	72.3	Confident	99 Å²	99	69.5 Å²	69.5	53%	0.529	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-11.1	175.2	-58.8	-74.9	0	0	0	112.8	P218 N363 P367	P218-N365 HydrophobicContact CB-CB 4.21Å; N363-N365 PolarHBondContact O-N 2.78Å; N363-N365 VanDerWaalsContact O-N 3.16Å; N363-N365 PolarHBondContact OD1-N 3.02Å; N365-P367 WeakPolarHBondContact O-CD 3.42Å
366	A	88.5	Confident	73.4	Confident	5 Å²	5	64.2 Å²	64.2	4%	0.041	32%	0.324	C	S	.	.	S	Bend	trans	-86.8	116.1	179.2	0	0	0	0	0	110.5	P218 N363 R368	P218-A366 HydrophobicContact CB-CB 4.44Å; N363-A366 HydrophobicContact CB-CB 3.86Å; N363-A366 PolarHBondContact O-N 3.24Å; A366-R368 PolarHBondContact O-N 3.16Å
367	P	87.9	Confident	74.1	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.006	31%	0.309	C	S	.	.			trans	-65	125.9	177	26.3	-35.1	0	0	0	111.6	G215 T216 N365 V369 P455 P456	G215-P367 VanDerWaalsContact O-CG 3.25Å; G215-P367 WeakPolarHBondContact O-CG 3.47Å; T216-P367 WeakPolarHBondContact O-CD 3.24Å; N365-P367 WeakPolarHBondContact O-CD 3.42Å; P367-V369 HydrophobicContact CB-CG2 4.19Å; P367-V369 HydrophobicContact CG-CG2 4.26Å; P367-V369 PolarHBondContact O-N 3.4Å; P367-P455 HydrophobicContact CB-CB 4.33Å; P367-P455 HydrophobicContact CB-CG 4.27Å; P367-P455 VanDerWaalsContact CB-O 3.27Å; P367-P455 WeakPolarHBondContact CB-O 3.17Å; P367-P456 WeakPolarHBondContact CG-O 3.29Å
368	R	85.8	Confident	74	Confident	49 Å²	49	59.3 Å²	59.3	19%	0.185	30%	0.301	C	S	.	.			trans	-71.1	93.4	166.6	-71.1	-178.2	175.8	-107.8	1.9	108.6	S238 T239 D359 A366	S238-R368 CarbonylContact C-O 3.53Å; S238-R368 VanDerWaalsContact CA-O 3.22Å; S238-R368 WeakPolarHBondContact CA-O 3.4Å; T239-R368 PolarHBondContact N-O 3.15Å; T239-R368 WeakPolarHBondContact OG1-CB 3.32Å; T239-R368 PolarHBondContact OG1-O 3.26Å; D359-R368 PolarHBondContact O-NH2 3.26Å; D359-R368 IonicContact OD1-CZ 3.32Å; D359-R368 VanDerWaalsContact OD1-CZ 3.25Å; D359-R368 IonicContact OD1-NH1 2.7Å; D359-R368 PolarHBondContact OD1-NH1 3.21Å; D359-R368 IonicContact OD1-NH2 3.25Å; D359-R368 PolarHBondContact OD1-NH2 3.08Å; A366-R368 PolarHBondContact O-N 3.16Å
369	V	88.1	Confident	73.6	Confident	26 Å²	26	66.6 Å²	66.6	16%	0.158	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	145.2	-174	178.4	0	0	0	0	111.8	A212 T216 L236 P367 P457	A212-V369 HydrophobicContact CB-CG1 4.12Å; T216-V369 HydrophobicContact CG2-CB 4.05Å; T216-V369 HydrophobicContact CG2-CG2 3.93Å; L236-V369 HydrophobicContact CB-CG1 3.96Å; L236-V369 HydrophobicContact CD1-CG1 4.12Å; L236-V369 HydrophobicContact CD2-CG1 3.88Å; L236-V369 HydrophobicContact CG-CG1 4.19Å; P367-V369 HydrophobicContact CB-CG2 4.19Å; P367-V369 HydrophobicContact CG-CG2 4.26Å; P367-V369 PolarHBondContact O-N 3.4Å; V369-P457 HydrophobicContact CG1-CG 4.47Å; V369-P457 HydrophobicContact CG2-CB 3.87Å; V369-P457 HydrophobicContact CG2-CG 4.1Å
370	R	86.8	Confident	73.9	Confident	130 Å²	130	64.5 Å²	64.5	49%	0.491	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	150.8	160.5	64.3	173.3	-77.3	177.6	4.5	111.8	K237 T239	K237-R370 HydrophobicContact CG-CG 3.8Å; K237-R370 PolarHBondContact N-O 2.97Å; K237-R370 WeakPolarHBondContact O-CG 3.14Å; K237-R370 PolarHBondContact O-N 3.21Å; T239-R370 HydrophobicContact CG2-CB 4.4Å; T239-R370 HydrophobicContact CG2-CG 3.78Å
371	I	87.7	Confident	73.9	Confident	38 Å²	38	58.4 Å²	58.4	20%	0.195	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	144.9	168	-56.7	164.4	0	0	0	109.5	A208 A212 P234 L236 E374	A208-I371 HydrophobicContact CB-CD1 3.78Å; A208-I371 HydrophobicContact CB-CG1 4.45Å; A212-I371 HydrophobicContact CB-CD1 4.36Å; A212-I371 HydrophobicContact CB-CG1 3.99Å; P234-I371 HydrophobicContact CB-CG2 4.48Å; L236-I371 HydrophobicContact CD2-CG1 4.16Å; I371-E374 HydrophobicContact CG2-CG 3.75Å
372	V	80.3	Confident	73.9	Confident	38 Å²	38	59.8 Å²	59.8	23%	0.23	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	-35.6	179.3	-170.2	0	0	0	0	111.8	L235 K237 K383	L235-V372 HydrophobicContact CB-CB 4.28Å; L235-V372 HydrophobicContact CD2-CB 4.25Å; L235-V372 HydrophobicContact CD2-CG1 4.21Å; L235-V372 HydrophobicContact CG-CB 3.99Å; L235-V372 HydrophobicContact CG-CG1 4.47Å; L235-V372 HydrophobicContact CG-CG2 4.38Å; L235-V372 WeakPolarHBondContact O-CA 3.44Å; L235-V372 VanDerWaalsContact O-CB 3.26Å; L235-V372 WeakPolarHBondContact O-CB 3.24Å; L235-V372 WeakPolarHBondContact O-CG2 3.44Å; L235-V372 PolarHBondContact O-N 2.92Å; K237-V372 HydrophobicContact CB-CG2 3.77Å; K237-V372 HydrophobicContact CD-CG2 3.49Å; K237-V372 VanDerWaalsContact CD-CG2 3.49Å; K237-V372 HydrophobicContact CG-CG2 3.41Å; K237-V372 VanDerWaalsContact CG-CG2 3.41Å; V372-K383 HydrophobicContact CG1-CD 4.21Å
373	D	77.1	Confident	73.7	Confident	25 Å²	25	61.4 Å²	61.4	13%	0.134	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	139.4	169.2	-93.8	-52.1	0	0	0	106.8	P234 L235 L376 N380 K383	P234-D373 CarbonylContact C-O 3.58Å; P234-D373 WeakPolarHBondContact CA-O 3.13Å; P234-D373 WeakPolarHBondContact CB-O 3.35Å; L235-D373 HydrophobicContact CB-CB 4.16Å; L235-D373 PolarHBondContact N-O 3.16Å; D373-L376 HydrophobicContact CB-CD1 4.14Å; D373-N380 PolarHBondContact OD1-ND2 3.17Å; D373-N380 WeakPolarHBondContact OD2-CB 3.28Å; D373-N380 PolarHBondContact OD2-ND2 3.22Å; D373-K383 VanDerWaalsContact CG-NZ 3.25Å; D373-K383 IonicContact OD1-NZ 2.7Å; D373-K383 PolarHBondContact OD1-NZ 2.94Å; D373-K383 VanDerWaalsContact OD2-CD 3.26Å; D373-K383 WeakPolarHBondContact OD2-CD 3.49Å; D373-K383 WeakPolarHBondContact OD2-CE 3.26Å; D373-K383 IonicContact OD2-NZ 3.33Å; D373-K383 PolarHBondContact OD2-NZ 3.01Å
374	E	76.3	Confident	73	Confident	97 Å²	97	61 Å²	61	45%	0.453	30%	0.297	S	S	.	.	S	Bend	trans	-87.2	-45.1	168.4	-59.3	-178.7	169.8	0	0	109.9	A208 T232 I371	A208-E374 HydrophobicContact CB-CB 4.14Å; A208-E374 HydrophobicContact CB-CG 3.64Å; T232-E374 WeakPolarHBondContact CG2-O 3.37Å; T232-E374 PolarHBondContact OG1-O 3.49Å; I371-E374 HydrophobicContact CG2-CG 3.75Å
375	F	60.8	Low	72.4	Confident	109 Å²	109	56.8 Å²	56.8	48%	0.478	27%	0.269	S	S	.	.	S	Bend	trans	-113.3	99.4	176.6	-59.3	-85.3	0	0	0	109.1	T232 G377	T232-F375 HydrophobicContact CG2-CD1 3.77Å; T232-F375 HydrophobicContact CG2-CE1 3.51Å; T232-F375 HydrophobicContact CG2-CG 4.41Å; T232-F375 HydrophobicContact CG2-CZ 3.96Å; F375-G377 PolarHBondContact O-N 3.18Å
376	L	57.7	Low	71.8	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.005	27%	0.267	C	S	.	.			trans	-74.9	73.7	179.9	-168.9	83.2	0	0	0	111.3	L235 D373 N380 L381 L384 L478 P479	L235-L376 HydrophobicContact CB-CD1 4.36Å; L235-L376 HydrophobicContact CD2-CD1 3.93Å; D373-L376 HydrophobicContact CB-CD1 4.14Å; L376-N380 HydrophobicContact CD1-CB 3.9Å; L376-L381 HydrophobicContact CD2-CD2 3.86Å; L376-L381 HydrophobicContact CG-CD2 4.44Å; L376-L384 HydrophobicContact CD2-CD1 3.44Å; L376-L384 VanDerWaalsContact CD2-CD1 3.44Å; L376-L384 HydrophobicContact CD2-CD2 3.99Å; L376-L384 HydrophobicContact CD2-CG 3.69Å; L376-L478 HydrophobicContact CD2-CB 4.11Å; L376-P479 HydrophobicContact CB-CG 4.21Å; L376-P479 HydrophobicContact CD2-CG 4.12Å
377	G	53.3	Low	70.8	Confident	37 Å²	37	58.3 Å²	58.3	38%	0.381	28%	0.28	S	S	.	.			trans	-60.2	157.1	175.2	0	0	0	0	0	112.8	F375 Y379 N380	F375-G377 PolarHBondContact O-N 3.18Å; G377-Y379 PolarHBondContact O-N 3.23Å; G377-N380 PolarHBondContact O-N 2.82Å
378	L	49.3	Very low	70.1	Confident	61 Å²	61	58.5 Å²	58.5	32%	0.319	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-44.4	-35.8	-176.4	-73.6	161.5	0	0	0	114.9	N380 L381 E475 I622 C624 I629	L378-N380 PolarHBondContact O-N 3.25Å; L378-L381 HydrophobicContact CD2-CD1 4.34Å; L378-L381 WeakPolarHBondContact O-CD1 3.26Å; L378-L381 VanDerWaalsContact O-CG 3.29Å; L378-L381 WeakPolarHBondContact O-CG 3.13Å; L378-E475 HydrophobicContact CD2-CG 3.96Å; L378-E475 WeakPolarHBondContact CD2-OE1 3.43Å; L378-E475 HydrophobicContact CG-CG 4.19Å; L378-I622 HydrophobicContact CD1-CG2 4.04Å; L378-C624 HydrophobicContact CD2-CB 4.28Å; L378-C624 VanDerWaalsContact CD2-SG 3.57Å; L378-I629 HydrophobicContact CD2-CD1 4.13Å
379	Y	46.9	Very low	69.5	Low	217 Å²	217	61.1 Å²	61.1	85%	0.851	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-71	-24.8	179.8	-63.9	-77	0	0	0	114.2	G377	G377-Y379 PolarHBondContact O-N 3.23Å
380	N	63.2	Low	68.8	Low	53 Å²	53	63 Å²	63	28%	0.283	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-92.4	-0.2	-176.8	-79.9	-22.2	0	0	0	114.3	D373 L376 G377 L378 K382 K383	D373-N380 PolarHBondContact OD1-ND2 3.17Å; D373-N380 WeakPolarHBondContact OD2-CB 3.28Å; D373-N380 PolarHBondContact OD2-ND2 3.22Å; L376-N380 HydrophobicContact CD1-CB 3.9Å; G377-N380 PolarHBondContact O-N 2.82Å; L378-N380 PolarHBondContact O-N 3.25Å; N380-K382 PolarHBondContact O-N 3.26Å; N380-K383 HydrophobicContact CB-CD 4.09Å; N380-K383 VanDerWaalsContact CG-CE 3.48Å; N380-K383 VanDerWaalsContact CG-NZ 3.34Å; N380-K383 PolarHBondContact ND2-NZ 3.39Å; N380-K383 VanDerWaalsContact ND2-NZ 3.18Å; N380-K383 VanDerWaalsContact O-CB 3.28Å; N380-K383 WeakPolarHBondContact O-CB 3.34Å; N380-K383 WeakPolarHBondContact O-CG 3.38Å; N380-K383 PolarHBondContact O-N 2.91Å; N380-K383 VanDerWaalsContact OD1-CE 3.29Å; N380-K383 WeakPolarHBondContact OD1-CE 3.37Å; N380-K383 PolarHBondContact OD1-NZ 3.19Å
381	L	63.3	Low	68.1	Low	6 Å²	6	57.7 Å²	57.7	3%	0.031	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-53.8	-29.5	177.9	-63.5	176.7	0	0	0	113.4	L376 L378 K383 L384 F385 L478 I629	L376-L381 HydrophobicContact CD2-CD2 3.86Å; L376-L381 HydrophobicContact CG-CD2 4.44Å; L378-L381 HydrophobicContact CD2-CD1 4.34Å; L378-L381 WeakPolarHBondContact O-CD1 3.26Å; L378-L381 VanDerWaalsContact O-CG 3.29Å; L378-L381 WeakPolarHBondContact O-CG 3.13Å; L381-K383 PolarHBondContact O-N 2.77Å; L381-K383 VanDerWaalsContact O-N 3.12Å; L381-L384 HydrophobicContact CD2-CD1 4.42Å; L381-L384 WeakPolarHBondContact O-CB 3.36Å; L381-L384 PolarHBondContact O-N 3.08Å; L381-F385 HydrophobicContact CB-CE1 4.14Å; L381-F385 HydrophobicContact CB-CZ 3.9Å; L381-F385 WeakPolarHBondContact O-CD1 3.48Å; L381-F385 WeakPolarHBondContact O-CE1 3.39Å; L381-L478 HydrophobicContact CD2-CD1 3.35Å; L381-I629 HydrophobicContact CD1-CB 4.47Å; L381-I629 HydrophobicContact CD1-CD1 3.53Å; L381-I629 HydrophobicContact CD1-CG1 3.75Å; L381-I629 HydrophobicContact CD1-CG2 3.86Å
382	K	69.6	Low	67.1	Low	109 Å²	109	58.6 Å²	58.6	47%	0.474	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-57	-24.2	174.4	-66.2	-179.2	178.5	-177.5	0	113.8	N380 F385 E632	N380-K382 PolarHBondContact O-N 3.26Å; K382-F385 HydrophobicContact CB-CE2 4.5Å; K382-F385 HydrophobicContact CG-CD2 4.5Å; K382-F385 HydrophobicContact CG-CE2 4.03Å; K382-E632 WeakPolarHBondContact CE-OE1 3.47Å; K382-E632 WeakPolarHBondContact CE-OE2 3.35Å; K382-E632 IonicContact NZ-OE1 3.34Å; K382-E632 PolarHBondContact NZ-OE1 2.91Å; K382-E632 IonicContact NZ-OE2 3.52Å; K382-E632 PolarHBondContact NZ-OE2 2.88Å
383	K	71.2	Confident	66.2	Low	78 Å²	78	58.7 Å²	58.7	34%	0.339	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-70.7	-28	173.9	-59.9	177.4	-174.8	172.6	0	112.8	L235 V372 D373 N380 L381	L235-K383 HydrophobicContact CD2-CB 3.83Å; L235-K383 HydrophobicContact CD2-CD 4.44Å; V372-K383 HydrophobicContact CG1-CD 4.21Å; D373-K383 VanDerWaalsContact CG-NZ 3.25Å; D373-K383 IonicContact OD1-NZ 2.7Å; D373-K383 PolarHBondContact OD1-NZ 2.94Å; D373-K383 VanDerWaalsContact OD2-CD 3.26Å; D373-K383 WeakPolarHBondContact OD2-CD 3.49Å; D373-K383 WeakPolarHBondContact OD2-CE 3.26Å; D373-K383 IonicContact OD2-NZ 3.33Å; D373-K383 PolarHBondContact OD2-NZ 3.01Å; N380-K383 HydrophobicContact CB-CD 4.09Å; N380-K383 VanDerWaalsContact CG-CE 3.48Å; N380-K383 VanDerWaalsContact CG-NZ 3.34Å; N380-K383 PolarHBondContact ND2-NZ 3.39Å; N380-K383 VanDerWaalsContact ND2-NZ 3.18Å; N380-K383 VanDerWaalsContact O-CB 3.28Å; N380-K383 WeakPolarHBondContact O-CB 3.34Å; N380-K383 WeakPolarHBondContact O-CG 3.38Å; N380-K383 PolarHBondContact O-N 2.91Å; N380-K383 VanDerWaalsContact OD1-CE 3.29Å; N380-K383 WeakPolarHBondContact OD1-CE 3.37Å; N380-K383 PolarHBondContact OD1-NZ 3.19Å; L381-K383 PolarHBondContact O-N 2.77Å; L381-K383 VanDerWaalsContact O-N 3.12Å
384	L	69.6	Low	65.5	Low	2 Å²	2	62.8 Å²	62.8	1%	0.01	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-37.5	-179.4	-66.1	-175.7	0	0	0	113	L235 L376 L381 L387 I388 L478 V482	L235-L384 HydrophobicContact CD1-CD2 3.54Å; L235-L384 HydrophobicContact CD2-CD2 3.9Å; L235-L384 HydrophobicContact CG-CD2 4.28Å; L376-L384 HydrophobicContact CD2-CD1 3.44Å; L376-L384 VanDerWaalsContact CD2-CD1 3.44Å; L376-L384 HydrophobicContact CD2-CD2 3.99Å; L376-L384 HydrophobicContact CD2-CG 3.69Å; L381-L384 HydrophobicContact CD2-CD1 4.42Å; L381-L384 WeakPolarHBondContact O-CB 3.36Å; L381-L384 PolarHBondContact O-N 3.08Å; L384-L387 WeakPolarHBondContact O-CB 3.48Å; L384-L387 PolarHBondContact O-N 2.81Å; L384-I388 HydrophobicContact CB-CD1 3.84Å; L384-I388 HydrophobicContact CB-CG1 4.34Å; L384-I388 HydrophobicContact CD1-CD1 4.34Å; L384-I388 WeakPolarHBondContact O-CG1 3.42Å; L384-I388 PolarHBondContact O-N 2.63Å; L384-L478 HydrophobicContact CD1-CB 3.74Å; L384-V482 HydrophobicContact CD2-CG1 3.86Å
385	F	71.4	Confident	64.3	Low	11 Å²	11	61.5 Å²	61.5	5%	0.048	29%	0.293	C	S	.	.	H	α-helix	trans	-58.7	-41.2	-163.5	-50.7	-29.9	0	0	0	114.4	L381 K382 L387 I388 Y389 I629 E632 M633 L636	L381-F385 HydrophobicContact CB-CE1 4.14Å; L381-F385 HydrophobicContact CB-CZ 3.9Å; L381-F385 WeakPolarHBondContact O-CD1 3.48Å; L381-F385 WeakPolarHBondContact O-CE1 3.39Å; K382-F385 HydrophobicContact CB-CE2 4.5Å; K382-F385 HydrophobicContact CG-CD2 4.5Å; K382-F385 HydrophobicContact CG-CE2 4.03Å; F385-L387 VanDerWaalsContact C-N 3.33Å; F385-L387 PolarHBondContact O-N 3.31Å; F385-I388 PolarHBondContact O-N 2.82Å; F385-Y389 WeakPolarHBondContact O-CB 3.39Å; F385-Y389 PolarHBondContact O-N 3.5Å; F385-I629 HydrophobicContact CE1-CG2 4.48Å; F385-I629 HydrophobicContact CZ-CG2 4.21Å; F385-E632 HydrophobicContact CE2-CB 4.41Å; F385-M633 HydrophobicContact CD1-CE 3.82Å; F385-M633 HydrophobicContact CD1-CG 3.5Å; F385-M633 VanDerWaalsContact CD1-CG 3.5Å; F385-M633 HydrophobicContact CD1-SD 4.14Å; F385-M633 HydrophobicContact CD2-CG 4.16Å; F385-M633 HydrophobicContact CE1-CE 4.15Å; F385-M633 HydrophobicContact CE1-CG 3.35Å; F385-M633 HydrophobicContact CE1-SD 3.92Å; F385-M633 HydrophobicContact CE2-CG 4.03Å; F385-M633 HydrophobicContact CG-CG 3.91Å; F385-M633 HydrophobicContact CZ-CG 3.63Å; F385-L636 HydrophobicContact CD2-CD1 3.62Å; F385-L636 HydrophobicContact CE2-CD1 4.08Å
386	P	72.2	Confident	63.3	Low	75 Å²	75	61.4 Å²	61.4	49%	0.487	30%	0.298	S	S	.	.	H	α-helix	trans	-63.3	-36.4	174.2	-22	34.7	0	0	0	113.4	Y389 D390	P386-Y389 PolarHBondContact O-N 3.38Å; P386-D390 WeakPolarHBondContact O-CB 3.44Å; P386-D390 PolarHBondContact O-N 2.93Å
387	L	68	Low	62.4	Low	62 Å²	62	68.3 Å²	68.3	33%	0.325	33%	0.33	S	S	.	.	H	α-helix	trans	-73.7	-38.7	-179.4	-59	173.1	0	0	0	111.7	L235 L384 F385 Y389 D390 K391 V482	L235-L387 HydrophobicContact CD1-CD1 4.16Å; L384-L387 WeakPolarHBondContact O-CB 3.48Å; L384-L387 PolarHBondContact O-N 2.81Å; F385-L387 VanDerWaalsContact C-N 3.33Å; F385-L387 PolarHBondContact O-N 3.31Å; L387-Y389 VanDerWaalsContact C-N 3.34Å; L387-D390 PolarHBondContact O-N 2.97Å; L387-K391 PolarHBondContact O-N 3.15Å; L387-V482 HydrophobicContact CB-CB 4Å; L387-V482 HydrophobicContact CB-CG1 3.66Å; L387-V482 HydrophobicContact CD1-CG1 4.13Å
388	I	72.9	Confident	61.8	Low	4 Å²	4	74.1 Å²	74.1	2%	0.021	35%	0.347	C	S	.	.	H	α-helix	trans	-64	-41.6	173.1	-67.5	176.2	0	0	0	110.4	L384 F385 K391 Q392 A481 V482 L515 M633	L384-I388 HydrophobicContact CB-CD1 3.84Å; L384-I388 HydrophobicContact CB-CG1 4.34Å; L384-I388 HydrophobicContact CD1-CD1 4.34Å; L384-I388 WeakPolarHBondContact O-CG1 3.42Å; L384-I388 PolarHBondContact O-N 2.63Å; F385-I388 PolarHBondContact O-N 2.82Å; I388-K391 PolarHBondContact O-N 2.86Å; I388-Q392 WeakPolarHBondContact O-CG 3.41Å; I388-Q392 PolarHBondContact O-N 2.77Å; I388-A481 HydrophobicContact CD1-CB 3.84Å; I388-A481 HydrophobicContact CG1-CB 4.02Å; I388-V482 HydrophobicContact CG1-CG1 4.22Å; I388-L515 HydrophobicContact CG2-CD1 4.38Å; I388-L515 HydrophobicContact CG2-CD2 4.21Å; I388-M633 HydrophobicContact CD1-CE 4.2Å; I388-M633 HydrophobicContact CG2-CE 4.35Å
389	Y	73.4	Confident	60.8	Low	104 Å²	104	79.7 Å²	79.7	41%	0.408	36%	0.364	S	S	.	.	H	α-helix	trans	-65	-44.4	176.4	-176.1	-99.5	0	0	0	112.3	F385 P386 L387 K391 Q392 T393	F385-Y389 WeakPolarHBondContact O-CB 3.39Å; F385-Y389 PolarHBondContact O-N 3.5Å; P386-Y389 PolarHBondContact O-N 3.38Å; L387-Y389 VanDerWaalsContact C-N 3.34Å; Y389-K391 VanDerWaalsContact C-N 3.33Å; Y389-K391 PolarHBondContact O-N 2.9Å; Y389-Q392 PolarHBondContact O-N 2.94Å; Y389-Q392 VanDerWaalsContact O-N 3.13Å; Y389-T393 HydrophobicContact CD1-CG2 4.03Å; Y389-T393 HydrophobicContact CE1-CG2 3.56Å; Y389-T393 HydrophobicContact CE2-CG2 4.09Å; Y389-T393 HydrophobicContact CG-CG2 4.48Å; Y389-T393 WeakPolarHBondContact O-CG2 3.44Å; Y389-T393 PolarHBondContact O-N 2.67Å; Y389-T393 PolarHBondContact O-OG1 3.18Å
390	D	73.1	Confident	59.9	Low	66 Å²	66	72 Å²	72	35%	0.353	35%	0.35	S	S	.	.	H	α-helix	trans	-60.1	-40	175.5	-176.3	54	0	0	0	112.5	P386 L387 T393 K394	P386-D390 WeakPolarHBondContact O-CB 3.44Å; P386-D390 PolarHBondContact O-N 2.93Å; L387-D390 PolarHBondContact O-N 2.97Å; D390-T393 PolarHBondContact O-OG1 3.27Å; D390-K394 WeakPolarHBondContact O-CB 3.47Å; D390-K394 WeakPolarHBondContact O-CG 3.32Å; D390-K394 PolarHBondContact O-N 2.64Å; D390-K394 VanDerWaalsContact O-N 3.15Å; D390-K394 WeakPolarHBondContact OD1-CD 3.45Å; D390-K394 WeakPolarHBondContact OD1-CE 3.39Å; D390-K394 IonicContact OD1-NZ 2.71Å; D390-K394 PolarHBondContact OD1-NZ 3.21Å; D390-K394 IonicContact OD2-NZ 2.79Å; D390-K394 PolarHBondContact OD2-NZ 3.23Å
391	K	72.2	Confident	58	Low	19 Å²	19	75.2 Å²	75.2	8%	0.083	38%	0.376	C	S	.	.	H	α-helix	trans	-60.2	-48.6	170.5	176.9	176.7	173.2	175	0	111.5	L387 I388 Y389 Y395 A481 W483	L387-K391 PolarHBondContact O-N 3.15Å; I388-K391 PolarHBondContact O-N 2.86Å; Y389-K391 VanDerWaalsContact C-N 3.33Å; Y389-K391 PolarHBondContact O-N 2.9Å; K391-Y395 VanDerWaalsContact O-CB 3.31Å; K391-Y395 WeakPolarHBondContact O-CB 3.43Å; K391-Y395 PolarHBondContact O-N 2.94Å; K391-A481 WeakPolarHBondContact CD-O 3.39Å; K391-A481 PolarHBondContact NZ-O 2.67Å; K391-W483 VanDerWaalsContact CE-O 3.22Å; K391-W483 WeakPolarHBondContact CE-O 3.36Å; K391-W483 PolarHBondContact NZ-O 3.04Å
392	Q	67.7	Low	56.3	Low	57 Å²	57	83.7 Å²	83.7	27%	0.266	41%	0.413	S	S	.	.	H	α-helix	trans	-64.5	-42	-178.4	-75.5	179.3	-27.1	0	0	113	I388 Y389 N396 Q514 L515	I388-Q392 WeakPolarHBondContact O-CG 3.41Å; I388-Q392 PolarHBondContact O-N 2.77Å; Y389-Q392 PolarHBondContact O-N 2.94Å; Y389-Q392 VanDerWaalsContact O-N 3.13Å; Q392-N396 PolarHBondContact O-N 3.23Å; Q392-N396 VanDerWaalsContact O-N 3.17Å; Q392-N396 PolarHBondContact O-ND2 2.82Å; Q392-Q514 PolarHBondContact NE2-O 2.65Å; Q392-L515 HydrophobicContact CG-CD2 3.85Å
393	T	62	Low	54.1	Low	40 Å²	40	83.5 Å²	83.5	25%	0.245	43%	0.425	C	S	.	.	H	α-helix	trans	-68	-48.1	179.8	54.8	0	0	0	0	112	Y389 D390 Y395 N396 H397	Y389-T393 HydrophobicContact CD1-CG2 4.03Å; Y389-T393 HydrophobicContact CE1-CG2 3.56Å; Y389-T393 HydrophobicContact CE2-CG2 4.09Å; Y389-T393 HydrophobicContact CG-CG2 4.48Å; Y389-T393 WeakPolarHBondContact O-CG2 3.44Å; Y389-T393 PolarHBondContact O-N 2.67Å; Y389-T393 PolarHBondContact O-OG1 3.18Å; D390-T393 PolarHBondContact O-OG1 3.27Å; T393-Y395 VanDerWaalsContact C-N 3.33Å; T393-Y395 PolarHBondContact O-N 2.64Å; T393-N396 PolarHBondContact O-N 3.28Å; T393-H397 PolarHBondContact O-N 3.07Å; T393-H397 PolarHBondContact O-ND1 3.3Å
394	K	62.5	Low	51.9	Low	111 Å²	111	87.5 Å²	87.5	48%	0.483	45%	0.448	S	S	.	.	H	α-helix	trans	-61	-39.3	177.7	-74.2	169.8	173.5	159.5	0	112.4	D390 H397	D390-K394 WeakPolarHBondContact O-CB 3.47Å; D390-K394 WeakPolarHBondContact O-CG 3.32Å; D390-K394 PolarHBondContact O-N 2.64Å; D390-K394 VanDerWaalsContact O-N 3.15Å; D390-K394 WeakPolarHBondContact OD1-CD 3.45Å; D390-K394 WeakPolarHBondContact OD1-CE 3.39Å; D390-K394 IonicContact OD1-NZ 2.71Å; D390-K394 PolarHBondContact OD1-NZ 3.21Å; D390-K394 IonicContact OD2-NZ 2.79Å; D390-K394 PolarHBondContact OD2-NZ 3.23Å; K394-H397 PolarHBondContact O-N 2.88Å
395	Y	49.4	Very low	49.7	Very low	69 Å²	69	95.8 Å²	95.8	27%	0.271	49%	0.487	S	S	.	.	H	α-helix	trans	-67	-40.1	177.9	-149.6	-84.6	0	0	0	112.6	K391 T393 H397 Q398 R399 R487	K391-Y395 VanDerWaalsContact O-CB 3.31Å; K391-Y395 WeakPolarHBondContact O-CB 3.43Å; K391-Y395 PolarHBondContact O-N 2.94Å; T393-Y395 VanDerWaalsContact C-N 3.33Å; T393-Y395 PolarHBondContact O-N 2.64Å; Y395-H397 VanDerWaalsContact C-N 3.32Å; Y395-H397 PolarHBondContact O-N 3.4Å; Y395-Q398 PolarHBondContact O-N 3.05Å; Y395-R399 PolarHBondContact O-N 2.62Å; Y395-R487 PolarHBondContact OH-NH1 3.02Å; Y395-R487 PolarHBondContact OH-NH2 3.4Å; Y395-R487 VanDerWaalsContact OH-NH2 3.1Å
396	N	40.8	Very low	47.5	Very low	108 Å²	108	99.9 Å²	99.9	58%	0.578	52%	0.517	S	S	*	.	H	α-helix	trans	-65.5	-34.3	177.7	-76.7	-27.6	0	0	0	112.5	Q392 T393 Q398 R399 G400	Q392-N396 PolarHBondContact O-N 3.23Å; Q392-N396 VanDerWaalsContact O-N 3.17Å; Q392-N396 PolarHBondContact O-ND2 2.82Å; T393-N396 PolarHBondContact O-N 3.28Å; N396-Q398 VanDerWaalsContact C-N 3.3Å; N396-Q398 PolarHBondContact O-N 3.16Å; N396-R399 PolarHBondContact O-N 3.16Å; N396-R399 VanDerWaalsContact O-N 3.16Å; N396-G400 PolarHBondContact O-N 2.93Å
397	H	39.2	Very low	45.2	Very low	146 Å²	146	103.4 Å²	103.4	68%	0.676	53%	0.532	S	S	*	.	H	α-helix	trans	-63.7	-34.3	176.1	-75.4	55.7	0	0	0	112.3	T393 K394 Y395 G400	T393-H397 PolarHBondContact O-N 3.07Å; T393-H397 PolarHBondContact O-ND1 3.3Å; K394-H397 PolarHBondContact O-N 2.88Å; Y395-H397 VanDerWaalsContact C-N 3.32Å; Y395-H397 PolarHBondContact O-N 3.4Å; H397-G400 PolarHBondContact O-N 3.31Å
398	Q	40.6	Very low	43.3	Very low	159 Å²	159	106 Å²	106	74%	0.743	55%	0.552	S	S	*	*	H	α-helix	trans	-74.2	-21	175.2	-68.1	-169.1	-21	0	0	114	Y395 N396	Y395-Q398 PolarHBondContact O-N 3.05Å; N396-Q398 VanDerWaalsContact C-N 3.3Å; N396-Q398 PolarHBondContact O-N 3.16Å
399	R	28.8	Very low	41.1	Very low	177 Å²	177	112.7 Å²	112.7	67%	0.668	59%	0.588	S	S	*	*	H	α-helix	trans	-91.8	-13.5	171.6	-91.1	-174.3	168	-176.8	-3.1	114.1	Y395 N396	Y395-R399 PolarHBondContact O-N 2.62Å; N396-R399 PolarHBondContact O-N 3.16Å; N396-R399 VanDerWaalsContact O-N 3.16Å
400	G	26.9	Very low	38.7	Very low	55 Å²	55	114.4 Å²	114.4	57%	0.567	60%	0.603	S	S	*	*	H	α-helix	trans	-72.9	-27.5	-173.2	0	0	0	0	0	115	N396 H397 K402	N396-G400 PolarHBondContact O-N 2.93Å; H397-G400 PolarHBondContact O-N 3.31Å; G400-K402 PolarHBondContact O-N 2.86Å
401	C	24	Very low	36.4	Very low	122 Å²	122	120.7 Å²	120.7	82%	0.824	63%	0.63	S	S	*	*			trans	-77.1	52.6	-176.6	-62.6	0	0	0	0	113.8
402	K	26.6	Very low	34.1	Very low	183 Å²	183	125.2 Å²	125.2	80%	0.796	66%	0.659	S	S	*	*			trans	-72.3	133.1	154.1	-75	-168.3	173.1	-170.5	0	107.9	G400 I404	G400-K402 PolarHBondContact O-N 2.86Å; K402-I404 PolarHBondContact O-N 2.85Å
403	S	23.9	Very low	32.1	Very low	105 Å²	105	130.6 Å²	130.6	73%	0.734	68%	0.684	S	S	*	*			trans	-57.7	106.6	174.8	48.3	0	0	0	0	110.1	Q405	S403-Q405 VanDerWaalsContact C-N 3.34Å; S403-Q405 PolarHBondContact O-N 2.95Å
404	I	24	Very low	30.2	Very low	162 Å²	162	137.8 Å²	137.8	83%	0.831	71%	0.711	S	S	*	*			trans	-67.5	101	163.1	-61.6	174.6	0	0	0	105.2	K402 S406	K402-I404 PolarHBondContact O-N 2.85Å; I404-S406 PolarHBondContact O-N 2.89Å; I404-S406 VanDerWaalsContact O-N 3.11Å
405	Q	24	Very low	28.4	Very low	176 Å²	176	137.5 Å²	137.5	82%	0.822	72%	0.723	S	S	*	*			trans	-61.1	114.1	165.6	-72.9	176.6	-94.2	0	0	106.5	S403 D407	S403-Q405 VanDerWaalsContact C-N 3.34Å; S403-Q405 PolarHBondContact O-N 2.95Å; Q405-D407 PolarHBondContact O-N 3.04Å
406	S	25.1	Very low	27.2	Very low	97 Å²	97	140.5 Å²	140.5	68%	0.678	74%	0.744	S	S	*	*			trans	-73	109.1	176.3	50.7	0	0	0	0	108.9	I404 P408	I404-S406 PolarHBondContact O-N 2.89Å; I404-S406 VanDerWaalsContact O-N 3.11Å; S406-P408 VanDerWaalsContact O-CD 3.3Å; S406-P408 WeakPolarHBondContact O-CD 3.11Å
407	D	23.8	Very low	26.3	Very low	149 Å²	149	140.6 Å²	140.6	80%	0.797	75%	0.753	S	S	*	*			trans	-57.1	115.3	158.5	-82.2	-43.5	0	0	0	107.6	Q405 D409	Q405-D407 PolarHBondContact O-N 3.04Å; D407-D409 PolarHBondContact O-N 3.38Å; D407-D409 VanDerWaalsContact O-N 3.08Å
408	P	27.8	Very low	25.5	Very low	116 Å²	116	143.7 Å²	143.7	75%	0.753	76%	0.759	S	S	*	*	S	Bend	trans	-88.7	31.5	-161	36.5	-37.7	0	0	0	113.6	S406	S406-P408 VanDerWaalsContact O-CD 3.3Å; S406-P408 WeakPolarHBondContact O-CD 3.11Å
409	D	26.9	Very low	24.6	Very low	145 Å²	145	143.7 Å²	143.7	78%	0.775	76%	0.763	S	S	*	*			trans	-136.9	23.4	-165.1	-110.5	-37.7	0	0	0	115.5	D407	D407-D409 PolarHBondContact O-N 3.38Å; D407-D409 VanDerWaalsContact O-N 3.08Å
410	I	24	Very low	24.4	Very low	141 Å²	141	141.8 Å²	141.8	72%	0.723	77%	0.766	S	S	*	*			trans	-116.8	92	170.9	-60.1	-174.6	0	0	0	110.7	V412	I410-V412 HydrophobicContact CG2-CB 3.92Å; I410-V412 HydrophobicContact CG2-CG2 3.5Å; I410-V412 VanDerWaalsContact CG2-CG2 3.5Å; I410-V412 PolarHBondContact O-N 2.64Å
411	H	24.2	Very low	24.1	Very low	197 Å²	197	147 Å²	147	91%	0.912	78%	0.78	S	S	*	*			trans	-68	69.1	164.6	-93.6	-82.8	0	0	0	111.2
412	V	23.9	Very low	24.1	Very low	114 Å²	114	147.6 Å²	147.6	69%	0.691	78%	0.78	S	S	*	*			trans	-109.5	131.2	167.2	170.9	0	0	0	0	109.1	I410	I410-V412 HydrophobicContact CG2-CB 3.92Å; I410-V412 HydrophobicContact CG2-CG2 3.5Å; I410-V412 VanDerWaalsContact CG2-CG2 3.5Å; I410-V412 PolarHBondContact O-N 2.64Å
413	H	25.3	Very low	24	Very low	170 Å²	170	143.9 Å²	143.9	79%	0.787	78%	0.783	S	S	*	*			trans	-52.1	139.2	-171.7	-72.8	-107	0	0	0	112.5	S415	H413-S415 PolarHBondContact O-N 3.13Å
414	K	22.8	Very low	24.1	Very low	191 Å²	191	147 Å²	147	83%	0.83	78%	0.783	S	S	*	*			trans	-65.9	79.8	165.1	-73.4	-178.8	178.4	174.3	0	109.5	N416	K414-N416 PolarHBondContact O-N 2.81Å
415	S	23.8	Very low	24.1	Very low	105 Å²	105	146.7 Å²	146.7	73%	0.734	78%	0.779	S	S	*	*			trans	-65.8	77.8	165.5	-65.3	0	0	0	0	108.5	H413 S417	H413-S415 PolarHBondContact O-N 3.13Å; S415-S417 VanDerWaalsContact C-N 3.27Å; S415-S417 PolarHBondContact O-N 2.96Å
416	N	24.4	Very low	24.2	Very low	133 Å²	133	148.5 Å²	148.5	71%	0.711	78%	0.783	S	S	*	*			trans	-62	90.4	174	-78.2	-36.3	0	0	0	108.3	K414 R418	K414-N416 PolarHBondContact O-N 2.81Å; N416-R418 PolarHBondContact O-N 3.24Å
417	S	22.6	Very low	24.3	Very low	110 Å²	110	149.5 Å²	149.5	77%	0.769	79%	0.791	S	S	*	*			trans	-71.6	45.3	170.3	50.4	0	0	0	0	111.8	S415 L419	S415-S417 VanDerWaalsContact C-N 3.27Å; S415-S417 PolarHBondContact O-N 2.96Å; S417-L419 PolarHBondContact O-N 2.82Å
418	R	23.3	Very low	24.3	Very low	211 Å²	211	149.3 Å²	149.3	80%	0.796	80%	0.795	S	S	*	*			trans	-63.6	82.5	154.7	-84.8	-174.3	165.4	-176.6	-4.8	107.5	N416 L420	N416-R418 PolarHBondContact O-N 3.24Å; R418-L420 PolarHBondContact O-N 2.99Å
419	L	20.3	Very low	24.3	Very low	158 Å²	158	151.1 Å²	151.1	83%	0.827	80%	0.798	S	S	*	*			trans	-69.4	67.3	158.9	-70.7	172.9	0	0	0	108.7	S417 L421	S417-L419 PolarHBondContact O-N 2.82Å; L419-L421 PolarHBondContact O-N 2.79Å; L419-L421 VanDerWaalsContact O-N 3.14Å
420	L	24.1	Very low	24.1	Very low	138 Å²	138	151.1 Å²	151.1	72%	0.723	80%	0.798	S	S	*	*			trans	-65.1	106.6	153.4	-110.5	81.9	0	0	0	105.6	R418 T422	R418-L420 PolarHBondContact O-N 2.99Å; L420-T422 PolarHBondContact O-N 2.86Å; L420-T422 VanDerWaalsContact O-N 3.11Å
421	L	22	Very low	24.5	Very low	164 Å²	164	151.9 Å²	151.9	86%	0.859	80%	0.798	S	S	*	*			trans	-62.9	114.2	169	-79.2	164.8	0	0	0	107.9	L419 A423	L419-L421 PolarHBondContact O-N 2.79Å; L419-L421 VanDerWaalsContact O-N 3.14Å; L421-A423 PolarHBondContact O-N 3.49Å
422	T	22.8	Very low	24.4	Very low	135 Å²	135	149.2 Å²	149.2	83%	0.828	80%	0.796	S	S	*	*			trans	-68.5	94.7	-177.1	46.4	0	0	0	0	110.2	L420 K424	L420-T422 PolarHBondContact O-N 2.86Å; L420-T422 VanDerWaalsContact O-N 3.11Å; T422-K424 VanDerWaalsContact C-N 3.26Å; T422-K424 PolarHBondContact O-N 3.36Å
423	A	24.4	Very low	24.5	Very low	104 Å²	104	152.4 Å²	152.4	86%	0.86	80%	0.801	S	S	*	*			trans	-68.3	84.7	173.8	0	0	0	0	0	110.3	L421 E425	L421-A423 PolarHBondContact O-N 3.49Å; A423-E425 PolarHBondContact O-N 3.29Å
424	K	26.5	Very low	24.5	Very low	170 Å²	170	150 Å²	150	74%	0.739	80%	0.798	S	S	*	*			trans	-45.6	116	-172.7	-169	169.4	-175	169.3	0	115.7	T422	T422-K424 VanDerWaalsContact C-N 3.26Å; T422-K424 PolarHBondContact O-N 3.36Å
425	E	25	Very low	24.6	Very low	157 Å²	157	147.1 Å²	147.1	73%	0.734	80%	0.797	S	S	*	*			trans	33.9	101.4	135.9	-53.4	164.5	147	0	0	117.5	A423	A423-E425 PolarHBondContact O-N 3.29Å
426	K	25.7	Very low	24.7	Very low	213 Å²	213	148.5 Å²	148.5	93%	0.926	80%	0.796	S	S	*	*			trans	-165.6	65.1	153	-118.7	171.9	-172.3	-175.9	0	116.4
427	S	26.1	Very low	24.8	Very low	119 Å²	119	151 Å²	151	83%	0.832	80%	0.804	S	S	*	*			trans	-154.7	105.3	158.9	56.4	0	0	0	0	111.3
428	T	24.7	Very low	24.8	Very low	145 Å²	145	154 Å²	154	89%	0.89	81%	0.81	S	S	*	*			trans	-75	125.7	165.2	46.8	0	0	0	0	110
429	L	28	Very low	25	Very low	153 Å²	153	149.9 Å²	149.9	80%	0.801	81%	0.808	S	S	*	*				-178.1	142.5	124.7	-169.3	58.7	0	0	0	109.6
430	D	23.1	Very low	25.2	Very low	146 Å²	146	148.7 Å²	148.7	78%	0.781	80%	0.802	S	S	*	*			trans	-71.2	134.6	175.4	-55.8	-85.9	0	0	0	112.5
431	Q	31.1	Very low	25.2	Very low	156 Å²	156	150.8 Å²	150.8	73%	0.729	81%	0.813	S	S	*	*			trans	-155	117.8	146.1	-121.2	158.7	65.5	0	0	111.4	F433	Q431-F433 HydrophobicContact CB-CE2 4.39Å; Q431-F433 PolarHBondContact O-N 3.4Å
432	T	22.8	Very low	25.3	Very low	141 Å²	141	148 Å²	148	87%	0.865	80%	0.799	S	S	*	*			trans	-73.2	112.9	176.7	47.6	0	0	0	0	110.5
433	F	25.4	Very low	25.5	Very low	182 Å²	182	146.9 Å²	146.9	80%	0.798	79%	0.787	S	S	*	*			trans	-106.8	136.5	163.9	-85.2	-88.1	0	0	0	110.3	Q431	Q431-F433 HydrophobicContact CB-CE2 4.39Å; Q431-F433 PolarHBondContact O-N 3.4Å
434	T	25.3	Very low	25.6	Very low	118 Å²	118	150.8 Å²	150.8	72%	0.724	79%	0.788	S	S	*	*			trans	-83.2	155	-168.5	45.2	0	0	0	0	112.9	D436	T434-D436 VanDerWaalsContact C-N 3.3Å; T434-D436 PolarHBondContact O-N 3.05Å
435	T	25	Very low	25.5	Very low	132 Å²	132	151.1 Å²	151.1	81%	0.81	79%	0.792	S	S	*	*	S	Bend	trans	-86.6	39.3	-161	46.7	0	0	0	0	115
436	D	26.4	Very low	25.5	Very low	133 Å²	133	151.9 Å²	151.9	71%	0.711	79%	0.793	S	S	*	*			trans	-112	11.1	-164.2	-65.9	-58.1	0	0	0	116.1	T434	T434-D436 VanDerWaalsContact C-N 3.3Å; T434-D436 PolarHBondContact O-N 3.05Å
437	E	26.4	Very low	25.5	Very low	187 Å²	187	145.4 Å²	145.4	87%	0.874	78%	0.775	S	S	*	*			trans	-129.9	35.3	178.5	-149.8	170.6	-140.7	0	0	114.4
438	L	22.6	Very low	25.8	Very low	172 Å²	172	146.1 Å²	146.1	90%	0.901	77%	0.769	S	S	*	*			trans	-105.8	45.2	170.5	-67.1	-179.9	0	0	0	112.5
439	V	26.7	Very low	26.3	Very low	124 Å²	124	147.2 Å²	147.2	75%	0.752	77%	0.768	S	S	*	*			trans	-86.9	116.5	171.8	-179.5	0	0	0	0	109.8	L441	V439-L441 PolarHBondContact O-N 3.42Å
440	L	24.3	Very low	26.6	Very low	134 Å²	134	147.3 Å²	147.3	70%	0.702	76%	0.764	S	S	*	*			trans	-3.6	101.1	172.1	-75	64.2	0	0	0	117.2
441	L	24.8	Very low	27.4	Very low	182 Å²	182	144.4 Å²	144.4	95%	0.953	76%	0.755	S	S	*	*			trans	-92.4	95.2	141.4	-75.2	173.6	0	0	0	107.7	V439 N443	V439-L441 PolarHBondContact O-N 3.42Å; L441-N443 PolarHBondContact O-N 3.17Å
442	D	24.9	Very low	28.3	Very low	105 Å²	105	146.2 Å²	146.2	56%	0.561	76%	0.761	S	S	*	*			trans	-84.8	101.8	-165.5	-146.4	-18	0	0	0	112.7	E444	D442-E444 VanDerWaalsContact C-N 3.34Å; D442-E444 PolarHBondContact O-N 2.99Å
443	N	25.4	Very low	30.4	Very low	111 Å²	111	143.8 Å²	143.8	59%	0.594	75%	0.746	S	S	*	*	S	Bend	trans	56.3	0	151.1	-79.2	-80.1	0	0	0	122.4	L441 Q445	L441-N443 PolarHBondContact O-N 3.17Å; N443-Q445 VanDerWaalsContact C-N 3.34Å; N443-Q445 PolarHBondContact O-N 2.93Å
444	E	26.8	Very low	33.1	Very low	187 Å²	187	138 Å²	138	87%	0.874	73%	0.725	S	S	*	*			trans	-77.2	-7.1	179.8	-68.8	-150.8	134.6	0	0	116	D442 K446	D442-E444 VanDerWaalsContact C-N 3.34Å; D442-E444 PolarHBondContact O-N 2.99Å; E444-K446 PolarHBondContact O-N 3.21Å
445	Q	25.5	Very low	36.1	Very low	177 Å²	177	133.6 Å²	133.6	83%	0.827	70%	0.698	S	S	*	*			trans	-96.5	74.8	175.6	-73.8	-72.4	5.2	0	0	112.2	N443	N443-Q445 VanDerWaalsContact C-N 3.34Å; N443-Q445 PolarHBondContact O-N 2.93Å
446	K	24.8	Very low	39.2	Very low	173 Å²	173	129.7 Å²	129.7	75%	0.752	68%	0.676	S	S	*	*			trans	-124.8	8.1	178	-122.5	168.9	-168.2	153.8	0	115.3	E444	E444-K446 PolarHBondContact O-N 3.21Å
447	S	25.6	Very low	42.4	Very low	77 Å²	77	123.9 Å²	123.9	54%	0.538	65%	0.645	S	S	.	*			trans	-89.5	177.2	167.5	39.3	0	0	0	0	111.8	I449	S447-I449 VanDerWaalsContact C-N 3.33Å; S447-I449 PolarHBondContact O-N 3.45Å
448	D	31.4	Very low	45.6	Very low	133 Å²	133	115 Å²	115	71%	0.711	60%	0.604	S	S	*	*	S	Bend	trans	62.5	10.7	162.1	-76.4	33.5	0	0	0	120.9	Q450	D448-Q450 VanDerWaalsContact C-N 3.34Å
449	I	35	Very low	49	Very low	169 Å²	169	109 Å²	109	87%	0.867	57%	0.571	S	S	*	*			trans	-102.3	30.6	144.4	-33.5	-176.2	0	0	0	111.6	S447 S451	S447-I449 VanDerWaalsContact C-N 3.33Å; S447-I449 PolarHBondContact O-N 3.45Å; I449-S451 VanDerWaalsContact C-N 3.31Å; I449-S451 PolarHBondContact O-N 3.14Å
450	Q	34.8	Very low	52.3	Low	155 Å²	155	106.5 Å²	106.5	72%	0.724	55%	0.55	S	S	*	.	S	Bend	trans	-63.9	98.4	149.6	-171.3	75.2	11.4	0	0	106.7	D448 K452	D448-Q450 VanDerWaalsContact C-N 3.34Å; Q450-K452 PolarHBondContact O-N 3.24Å
451	S	41.1	Very low	55.7	Low	85 Å²	85	100.1 Å²	100.1	59%	0.594	52%	0.517	S	S	*	.			trans	-50	117.1	176.8	60	0	0	0	0	108.6	I449 T453	I449-S451 VanDerWaalsContact C-N 3.31Å; I449-S451 PolarHBondContact O-N 3.14Å; S451-T453 PolarHBondContact O-N 3.32Å
452	K	49.1	Very low	59.2	Low	193 Å²	193	95 Å²	95	84%	0.839	49%	0.488	S	S	*	.			trans	-69.9	71.9	-173.4	-79	-176.4	173.9	172	0	111.6	Q450 V454	Q450-K452 PolarHBondContact O-N 3.24Å; K452-V454 PolarHBondContact O-N 3.15Å
453	T	67.9	Low	62.6	Low	91 Å²	91	90.4 Å²	90.4	56%	0.558	46%	0.464	S	S	*	.			trans	-63.2	113.9	169	52.5	0	0	0	0	107.5	S451	S451-T453 PolarHBondContact O-N 3.32Å
454	V	81.4	Confident	66.1	Low	60 Å²	60	85.1 Å²	85.1	36%	0.364	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-53.7	126.9	172.5	-171.4	0	0	0	0	107.9	S238 T239 P240 K452	S238-V454 VanDerWaalsContact CB-CG1 3.46Å; T239-V454 VanDerWaalsContact O-CG1 3.29Å; T239-V454 WeakPolarHBondContact O-CG1 3.38Å; P240-V454 HydrophobicContact CB-CG2 4Å; K452-V454 PolarHBondContact O-N 3.15Å
455	P	87.3	Confident	69.4	Low	25 Å²	25	76.5 Å²	76.5	16%	0.162	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-56.9	139.9	178.1	19.6	-29.5	0	0	0	109.9	S238 P367	S238-P455 WeakPolarHBondContact CB-O 3.5Å; S238-P455 PolarHBondContact OG-O 3Å; P367-P455 HydrophobicContact CB-CB 4.33Å; P367-P455 HydrophobicContact CB-CG 4.27Å; P367-P455 VanDerWaalsContact CB-O 3.27Å; P367-P455 WeakPolarHBondContact CB-O 3.17Å
456	P	91	Very high	72.7	Confident	51 Å²	51	68.1 Å²	68.1	33%	0.331	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-77.4	158.3	179.3	32.4	-36	0	0	0	111.6	S238 P367 Q459 P484	S238-P456 WeakPolarHBondContact OG-CA 3.33Å; P367-P456 WeakPolarHBondContact CG-O 3.29Å; P456-Q459 HydrophobicContact CG-CB 4.23Å; P456-Q459 HydrophobicContact CG-CG 4.25Å; P456-Q459 PolarHBondContact O-N 2.75Å; P456-P484 HydrophobicContact CG-CG 3.83Å
457	P	92.7	Very high	76	Confident	10 Å²	10	59.9 Å²	59.9	7%	0.065	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	144.7	172	-15.4	30.5	0	0	0	110.3	L236 S238 V369 Q459	L236-P457 HydrophobicContact CB-CB 3.98Å; L236-P457 HydrophobicContact CB-CG 3.83Å; L236-P457 HydrophobicContact CD1-CB 4.25Å; S238-P457 VanDerWaalsContact OG-CD 3.29Å; S238-P457 WeakPolarHBondContact OG-CD 3.28Å; V369-P457 HydrophobicContact CG1-CG 4.47Å; V369-P457 HydrophobicContact CG2-CB 3.87Å; V369-P457 HydrophobicContact CG2-CG 4.1Å; P457-Q459 VanDerWaalsContact C-N 3.3Å; P457-Q459 PolarHBondContact O-N 2.84Å
458	F	95	Very high	79.3	Confident	1 Å²	1	60.7 Å²	60.7	0%	0.004	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	42.2	-178.9	-64.2	-65.5	0	0	0	113.7	F211 L214 G215 L220 L223 L236 F460 L461 W483	F211-F458 HydrophobicContact CD1-CE2 4.42Å; F211-F458 HydrophobicContact CD1-CZ 4.27Å; L214-F458 VanDerWaalsContact C-CE1 3.43Å; L214-F458 HydrophobicContact CB-CE1 3.86Å; L214-F458 HydrophobicContact CB-CZ 3.83Å; L214-F458 WeakPolarHBondContact O-CE1 3.42Å; G215-F458 PolarHBondContact O-N 3.12Å; G215-F458 VanDerWaalsContact O-N 3.16Å; L220-F458 HydrophobicContact CD2-CD1 4.46Å; L220-F458 HydrophobicContact CD2-CE1 4.28Å; L223-F458 HydrophobicContact CD2-CE1 3.95Å; L223-F458 HydrophobicContact CD2-CZ 4.36Å; L236-F458 HydrophobicContact CD1-CD2 4.19Å; L236-F458 HydrophobicContact CD1-CE2 3.67Å; F458-F460 PolarHBondContact O-N 2.77Å; F458-L461 HydrophobicContact CB-CB 3.83Å; F458-L461 HydrophobicContact CB-CD2 4.26Å; F458-L461 HydrophobicContact CD1-CB 4.27Å; F458-L461 HydrophobicContact CD1-CD2 3.8Å; F458-L461 HydrophobicContact CD1-CG 4.48Å; F458-L461 HydrophobicContact CE1-CD2 4.31Å; F458-L461 HydrophobicContact CG-CB 4.41Å; F458-L461 HydrophobicContact CG-CD2 4.06Å; F458-L461 PolarHBondContact O-N 3.47Å; F458-L461 VanDerWaalsContact O-N 3.15Å; F458-W483 HydrophobicContact CB-CB 4.3Å; F458-W483 HydrophobicContact CB-CD2 4.43Å; F458-W483 HydrophobicContact CB-CG 4.13Å; F458-W483 AromaticContact CD2-CD1 3.95Å; F458-W483 AromaticContact CD2-CD2 3.88Å; F458-W483 HydrophobicContact CD2-CD2 3.88Å; F458-W483 AromaticContact CD2-CE2 3.55Å; F458-W483 HydrophobicContact CD2-CG 4.14Å; F458-W483 AromaticContact CD2-CZ2 3.92Å; F458-W483 HydrophobicContact CD2-CZ2 3.92Å; F458-W483 AromaticContact CD2-NE1 3.62Å; F458-W483 AromaticContact CE2-CE2 3.89Å; F458-W483 HydrophobicContact CE2-CH2 4.31Å; F458-W483 AromaticContact CE2-CZ2 3.77Å; F458-W483 HydrophobicContact CE2-CZ2 3.77Å; F458-W483 HydrophobicContact CG-CD2 4.39Å
459	Q	92.7	Very high	82.3	Confident	47 Å²	47	54.6 Å²	54.6	22%	0.22	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-29.8	-173.3	-177.2	177.7	-19.1	0	0	115.1	P456 P457	P456-Q459 HydrophobicContact CG-CB 4.23Å; P456-Q459 HydrophobicContact CG-CG 4.25Å; P456-Q459 PolarHBondContact O-N 2.75Å; P457-Q459 VanDerWaalsContact C-N 3.3Å; P457-Q459 PolarHBondContact O-N 2.84Å
460	F	95.7	Very high	85.1	Confident	70 Å²	70	52.2 Å²	52.2	31%	0.307	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.8	-0.2	-177.9	-69.3	-97.7	0	0	0	114.8	P218 L220 T221 F458 Q462 K485	P218-F460 WeakPolarHBondContact O-CD2 3.28Å; P218-F460 WeakPolarHBondContact O-CE2 3.37Å; L220-F460 CarbonylContact O-C 2.96Å; T221-F460 HydrophobicContact CG2-CB 4.43Å; F458-F460 PolarHBondContact O-N 2.77Å; F460-Q462 PolarHBondContact O-N 3.3Å; F460-K485 HydrophobicContact CD1-CD 4.45Å
461	L	97.7	Very high	87.7	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.233	C	C	.	.			trans	-67.2	125.7	-173.6	-167.1	73.4	0	0	0	110.5	L220 L223 F458 I464 W483 K485 L486	L220-L461 HydrophobicContact CD2-CD1 4.15Å; L220-L461 HydrophobicContact CG-CD1 4.03Å; L220-L461 VanDerWaalsContact O-CA 3.23Å; L220-L461 WeakPolarHBondContact O-CA 3.2Å; L220-L461 PolarHBondContact O-N 3.09Å; L223-L461 HydrophobicContact CB-CD1 3.73Å; F458-L461 HydrophobicContact CB-CB 3.83Å; F458-L461 HydrophobicContact CB-CD2 4.26Å; F458-L461 HydrophobicContact CD1-CB 4.27Å; F458-L461 HydrophobicContact CD1-CD2 3.8Å; F458-L461 HydrophobicContact CD1-CG 4.48Å; F458-L461 HydrophobicContact CE1-CD2 4.31Å; F458-L461 HydrophobicContact CG-CB 4.41Å; F458-L461 HydrophobicContact CG-CD2 4.06Å; F458-L461 PolarHBondContact O-N 3.47Å; F458-L461 VanDerWaalsContact O-N 3.15Å; L461-I464 HydrophobicContact CD2-CB 4.32Å; L461-I464 HydrophobicContact CD2-CD1 4.4Å; L461-W483 HydrophobicContact CD2-CE3 3.81Å; L461-W483 HydrophobicContact CD2-CZ3 3.93Å; L461-K485 CarbonylContact O-C 3.19Å; L461-L486 HydrophobicContact CD2-CD1 4.22Å; L461-L486 HydrophobicContact CG-CD1 4.29Å; L461-L486 VanDerWaalsContact O-CA 3.28Å; L461-L486 WeakPolarHBondContact O-CA 3.36Å; L461-L486 PolarHBondContact O-N 3.14Å
462	Q	96.7	Very high	89.8	Confident	74 Å²	74	42.6 Å²	42.6	35%	0.346	22%	0.217	S	C	.	.			trans	-113.6	-33.5	-176.6	-73.2	-177.6	94.1	0	0	112.7	T221 F460 K485 R487 E488	T221-Q462 PolarHBondContact O-N 3.45Å; F460-Q462 PolarHBondContact O-N 3.3Å; Q462-K485 HydrophobicContact CG-CB 4.18Å; Q462-R487 HydrophobicContact CB-CG 4.48Å; Q462-R487 WeakPolarHBondContact O-CA 3.25Å; Q462-R487 PolarHBondContact O-N 3.46Å; Q462-E488 PolarHBondContact O-N 3.19Å
463	S	97.4	Very high	91.4	Very high	9 Å²	9	35.2 Å²	35.2	6%	0.063	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	137.9	179.2	-163.5	0	0	0	0	109.9	T221 Y222 L223 E488	T221-S463 PolarHBondContact O-N 3.31Å; Y222-S463 WeakPolarHBondContact CA-O 3.41Å; L223-S463 PolarHBondContact N-O 3.15Å; S463-E488 WeakPolarHBondContact CA-O 3.48Å; S463-E488 VanDerWaalsContact OG-CB 3.23Å; S463-E488 WeakPolarHBondContact OG-CB 3.39Å; S463-E488 PolarHBondContact OG-OE2 3.2Å
464	I	97.5	Very high	92.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	138.9	174	-164.7	172.1	0	0	0	110.2	F211 L223 L225 L461 L466 W483 L486 E488 C489 I490	F211-I464 HydrophobicContact CE1-CD1 4.29Å; L223-I464 HydrophobicContact CB-CG1 4.27Å; L223-I464 HydrophobicContact CD2-CD1 4.01Å; L223-I464 HydrophobicContact CD2-CG1 4.36Å; L223-I464 HydrophobicContact CG-CD1 4.46Å; L223-I464 HydrophobicContact CG-CG1 4.29Å; L223-I464 WeakPolarHBondContact O-CA 3.48Å; L225-I464 HydrophobicContact CD1-CD1 4.42Å; L461-I464 HydrophobicContact CD2-CB 4.32Å; L461-I464 HydrophobicContact CD2-CD1 4.4Å; I464-L466 HydrophobicContact CD1-CD1 4.34Å; I464-L466 HydrophobicContact CD1-CD2 3.86Å; I464-L466 HydrophobicContact CD1-CG 4.04Å; I464-L466 HydrophobicContact CG1-CD2 4.25Å; I464-L466 HydrophobicContact CG1-CG 4.13Å; I464-L466 HydrophobicContact CG2-CD1 4.43Å; I464-L466 HydrophobicContact CG2-CG 4.42Å; I464-W483 HydrophobicContact CD1-CH2 3.74Å; I464-W483 HydrophobicContact CD1-CZ3 3.57Å; I464-W483 HydrophobicContact CG2-CZ3 4.21Å; I464-L486 HydrophobicContact CB-CD1 4.38Å; I464-L486 HydrophobicContact CG2-CD1 4.12Å; I464-E488 PolarHBondContact N-O 3.23Å; I464-E488 VanDerWaalsContact N-O 3.15Å; I464-C489 HydrophobicContact CG2-CB 4.09Å; I464-C489 WeakPolarHBondContact O-CA 3.48Å; I464-I490 PolarHBondContact O-N 2.82Å
465	D	96.4	Very high	92.2	Very high	7 Å²	7	30 Å²	30	4%	0.037	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	121.3	167.2	-159.5	-34.6	0	0	0	110.4	L223 N224 L225 S467 I490	L223-D465 PolarHBondContact O-N 3.08Å; N224-D465 WeakPolarHBondContact OD1-CB 3.46Å; L225-D465 CarbonylContact C-O 3.33Å; L225-D465 WeakPolarHBondContact CA-O 3.2Å; L225-D465 PolarHBondContact N-O 3.49Å; D465-S467 WeakPolarHBondContact OD1-CB 3.29Å; D465-S467 PolarHBondContact OD1-N 3.35Å; D465-S467 PolarHBondContact OD1-OG 2.82Å; D465-I490 HydrophobicContact CB-CB 4.15Å; D465-I490 HydrophobicContact CB-CD1 4Å; D465-I490 VanDerWaalsContact OD2-CD1 3.29Å; D465-I490 WeakPolarHBondContact OD2-CD1 3.19Å; D465-I490 WeakPolarHBondContact OD2-CG2 3.44Å
466	L	96.2	Very high	92.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.153	C	C	.	.			trans	-121.2	15.8	177.8	-64.8	173.6	0	0	0	110.3	F211 L225 V233 I464 N469 I471 L477 I490 I491 N494	F211-L466 HydrophobicContact CE1-CD2 4.34Å; F211-L466 HydrophobicContact CZ-CD2 3.83Å; L225-L466 HydrophobicContact CB-CD2 4.23Å; L225-L466 HydrophobicContact CD1-CD2 4.06Å; V233-L466 HydrophobicContact CG2-CD1 3.88Å; I464-L466 HydrophobicContact CD1-CD1 4.34Å; I464-L466 HydrophobicContact CD1-CD2 3.86Å; I464-L466 HydrophobicContact CD1-CG 4.04Å; I464-L466 HydrophobicContact CG1-CD2 4.25Å; I464-L466 HydrophobicContact CG1-CG 4.13Å; I464-L466 HydrophobicContact CG2-CD1 4.43Å; I464-L466 HydrophobicContact CG2-CG 4.42Å; L466-N469 WeakPolarHBondContact O-CB 3.35Å; L466-N469 PolarHBondContact O-ND2 2.91Å; L466-I471 HydrophobicContact CB-CD1 4.41Å; L466-I471 HydrophobicContact CD1-CD1 4.36Å; L466-L477 HydrophobicContact CD1-CD2 3.93Å; L466-I490 CarbonylContact C-O 3.47Å; L466-I490 WeakPolarHBondContact CA-O 3.13Å; L466-I490 PolarHBondContact N-O 3.1Å; L466-I491 HydrophobicContact CB-CG2 4.14Å; L466-N494 PolarHBondContact O-ND2 3.18Å
467	S	93.9	Very high	92.2	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.007	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	160.5	-178.1	63.4	0	0	0	0	112.7	A226 N227 D465 N469 I490 Y492	A226-S467 CarbonylContact C-O 3.55Å; A226-S467 VanDerWaalsContact CA-O 3.24Å; A226-S467 WeakPolarHBondContact CA-O 3.39Å; A226-S467 WeakPolarHBondContact CB-OG 3.29Å; N227-S467 PolarHBondContact N-O 3.42Å; D465-S467 WeakPolarHBondContact OD1-CB 3.29Å; D465-S467 PolarHBondContact OD1-N 3.35Å; D465-S467 PolarHBondContact OD1-OG 2.82Å; S467-N469 PolarHBondContact O-N 3.05Å; S467-N469 PolarHBondContact O-ND2 3.35Å; S467-I490 PolarHBondContact N-O 3.5Å; S467-Y492 CarbonylContact C-O 3.57Å; S467-Y492 WeakPolarHBondContact CA-O 3.24Å; S467-Y492 VanDerWaalsContact CB-CD2 3.47Å; S467-Y492 VanDerWaalsContact CB-CE2 3.44Å; S467-Y492 VanDerWaalsContact CB-O 3.23Å; S467-Y492 WeakPolarHBondContact CB-O 3.47Å
468	H	93.5	Very high	91.8	Very high	94 Å²	94	27.4 Å²	27.4	44%	0.435	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	19.4	-179.6	-66.3	-103.1	0	0	0	115.4	N227 Y492 A493	N227-H468 HydrophobicContact CB-CB 3.95Å; H468-Y492 AromaticContact CD2-CD2 3.81Å; H468-Y492 AromaticContact CD2-CE2 3.56Å; H468-Y492 PolarHBondContact N-O 3Å; H468-Y492 AromaticContact NE2-CD2 3.7Å; H468-Y492 AromaticContact NE2-CE2 3.47Å; H468-Y492 WeakPolarHBondContact NE2-CE2 3.42Å; H468-A493 HydrophobicContact CB-CB 4.46Å
469	N	94.8	Very high	91.6	Very high	5 Å²	5	27.4 Å²	27.4	3%	0.027	13%	0.134	C	C	.	.	S	Bend	trans	-92.4	-177	173.4	-81.6	-94.1	0	0	0	111.5	L225 N228 R229 F230 L466 S467 I471 N494	L225-N469 PolarHBondContact O-ND2 2.77Å; N228-N469 WeakPolarHBondContact CB-OD1 3.26Å; N228-N469 PolarHBondContact O-OD1 3.05Å; R229-N469 PolarHBondContact N-OD1 3.35Å; F230-N469 WeakPolarHBondContact CB-OD1 3.33Å; F230-N469 WeakPolarHBondContact CD2-OD1 3.33Å; F230-N469 PolarHBondContact N-OD1 2.91Å; L466-N469 WeakPolarHBondContact O-CB 3.35Å; L466-N469 PolarHBondContact O-ND2 2.91Å; S467-N469 PolarHBondContact O-N 3.05Å; S467-N469 PolarHBondContact O-ND2 3.35Å; N469-I471 HydrophobicContact CB-CG1 4.36Å; N469-N494 WeakPolarHBondContact CA-OD1 3.13Å; N469-N494 VanDerWaalsContact CB-OD1 3.29Å; N469-N494 WeakPolarHBondContact CB-OD1 3.49Å; N469-N494 PolarHBondContact O-OD1 2.93Å; N469-N494 VanDerWaalsContact O-OD1 3.05Å
470	K	93.5	Very high	91.5	Very high	119 Å²	119	25.1 Å²	25.1	52%	0.517	12%	0.124	S	C	.	.			trans	-101.8	21.9	-172.1	-60.8	-174.8	177.9	-175.1	0	113.4	F230 T231 S472	F230-K470 CarbonylContact O-C 3.46Å; F230-K470 WeakPolarHBondContact O-CA 3.4Å; F230-K470 PolarHBondContact O-N 2.95Å; T231-K470 HydrophobicContact CG2-CB 3.92Å; K470-S472 PolarHBondContact O-N 2.75Å
471	I	90.1	Very high	91.1	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	11%	0.11	C	C	.	.			trans	-73.5	120.3	-173	-52.9	174.2	0	0	0	110.5	F230 V233 L466 N469 H476 L477 N494 P495 V496	F230-I471 PolarHBondContact O-N 2.86Å; V233-I471 HydrophobicContact CG2-CD1 4.41Å; L466-I471 HydrophobicContact CB-CD1 4.41Å; L466-I471 HydrophobicContact CD1-CD1 4.36Å; N469-I471 HydrophobicContact CB-CG1 4.36Å; I471-H476 HydrophobicContact CG2-CB 3.73Å; I471-L477 HydrophobicContact CD1-CD2 3.8Å; I471-L477 HydrophobicContact CG2-CD2 4.37Å; I471-L477 HydrophobicContact CG2-CG 4.02Å; I471-N494 HydrophobicContact CB-CB 4.36Å; I471-N494 VanDerWaalsContact CB-OD1 3.27Å; I471-N494 WeakPolarHBondContact CB-OD1 3.46Å; I471-N494 WeakPolarHBondContact CG1-OD1 3.47Å; I471-N494 PolarHBondContact N-OD1 3.27Å; I471-P495 VanDerWaalsContact O-CD 3.31Å; I471-P495 WeakPolarHBondContact O-CD 3.44Å; I471-V496 HydrophobicContact CG2-CG1 4.42Å; I471-V496 WeakPolarHBondContact O-CB 3.37Å; I471-V496 WeakPolarHBondContact O-CG1 3.46Å; I471-V496 PolarHBondContact O-N 2.81Å
472	S	85.8	Confident	90.6	Very high	37 Å²	37	22.7 Å²	22.7	26%	0.259	12%	0.115	S	C	.	.			trans	-110.1	-23.2	-164.6	54.9	0	0	0	0	116.4	K470	K470-S472 PolarHBondContact O-N 2.75Å
473	C	81.7	Confident	90.4	Very high	38 Å²	38	19.2 Å²	19.2	26%	0.257	10%	0.099	S	C	.	.	S	Bend	trans	-125.3	157.5	-174.3	-66	0	0	0	0	111.9	E475 H476 V496	C473-E475 VanDerWaalsContact C-N 3.29Å; C473-E475 PolarHBondContact O-N 3.23Å; C473-H476 PolarHBondContact O-N 2.81Å; C473-V496 VanDerWaalsContact C-CG2 3.45Å; C473-V496 WeakPolarHBondContact O-CG2 3.16Å
474	E	84.1	Confident	90	Very high	19 Å²	19	20.2 Å²	20.2	9%	0.089	11%	0.105	C	C	.	.	S	Bend	trans	-64.8	-39.5	179.9	-45.5	-161.8	-169.5	0	0	110.7	H476 L477 P504 Q505 L506 L507 M621	E474-H476 PolarHBondContact O-N 3.46Å; E474-L477 PolarHBondContact O-N 2.95Å; E474-P504 HydrophobicContact CB-CB 4.28Å; E474-P504 VanDerWaalsContact CD-CA 3.41Å; E474-P504 HydrophobicContact CG-CB 3.66Å; E474-P504 HydrophobicContact CG-CG 4.21Å; E474-P504 VanDerWaalsContact OE1-CA 3.31Å; E474-P504 WeakPolarHBondContact OE1-CA 3.47Å; E474-P504 WeakPolarHBondContact OE2-CA 3.45Å; E474-P504 VanDerWaalsContact OE2-CB 3.3Å; E474-P504 WeakPolarHBondContact OE2-CB 3.28Å; E474-Q505 PolarHBondContact OE1-N 2.97Å; E474-Q505 PolarHBondContact OE2-N 3.49Å; E474-L506 HydrophobicContact CB-CB 4.45Å; E474-L506 WeakPolarHBondContact OE2-CA 3.42Å; E474-L506 WeakPolarHBondContact OE2-CB 3.43Å; E474-L506 PolarHBondContact OE2-N 2.71Å; E474-L507 HydrophobicContact CB-CD2 4.48Å; E474-L507 HydrophobicContact CB-CG 4.33Å; E474-L507 WeakPolarHBondContact O-CD2 3.46Å; E474-M621 HydrophobicContact CG-CE 4.42Å
475	E	82.4	Confident	89.9	Confident	22 Å²	22	23.4 Å²	23.4	10%	0.103	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-59.4	-32.9	-176.2	-67.5	70.1	-157.2	0	0	112.7	L378 C473 L477 L478 C624	L378-E475 HydrophobicContact CD2-CG 3.96Å; L378-E475 WeakPolarHBondContact CD2-OE1 3.43Å; L378-E475 HydrophobicContact CG-CG 4.19Å; C473-E475 VanDerWaalsContact C-N 3.29Å; C473-E475 PolarHBondContact O-N 3.23Å; E475-L477 PolarHBondContact O-N 2.87Å; E475-L478 HydrophobicContact CB-CD1 4.43Å; E475-L478 WeakPolarHBondContact O-CB 3.32Å; E475-L478 WeakPolarHBondContact O-CG 3.18Å; E475-L478 PolarHBondContact O-N 3.07Å; E475-C624 WeakPolarHBondContact OE1-CB 3.25Å; E475-C624 PolarHBondContact OE1-SG 2.99Å
476	H	88.2	Confident	89.8	Confident	31 Å²	31	23.4 Å²	23.4	14%	0.144	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-70.8	-14.8	-177.2	-70.3	-162	0	0	0	113.9	T231 V233 I471 C473 E474	T231-H476 PolarHBondContact O-ND1 3.1Å; V233-H476 PolarHBondContact N-O 2.87Å; I471-H476 HydrophobicContact CG2-CB 3.73Å; C473-H476 PolarHBondContact O-N 2.81Å; E474-H476 PolarHBondContact O-N 3.46Å
477	L	89.4	Confident	89.6	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-99.6	-10.3	174.4	-74.7	169.6	0	0	0	113	V233 L466 I471 E474 E475 I480 I491 V496 L507	V233-L477 HydrophobicContact CG2-CD2 4.27Å; L466-L477 HydrophobicContact CD1-CD2 3.93Å; I471-L477 HydrophobicContact CD1-CD2 3.8Å; I471-L477 HydrophobicContact CG2-CD2 4.37Å; I471-L477 HydrophobicContact CG2-CG 4.02Å; E474-L477 PolarHBondContact O-N 2.95Å; E475-L477 PolarHBondContact O-N 2.87Å; L477-I480 WeakPolarHBondContact O-CG1 3.44Å; L477-I480 WeakPolarHBondContact O-CG2 3.41Å; L477-I480 PolarHBondContact O-N 2.97Å; L477-I491 HydrophobicContact CD1-CD1 3.96Å; L477-I491 HydrophobicContact CD1-CG2 4.12Å; L477-I491 HydrophobicContact CD2-CG2 4.01Å; L477-V496 HydrophobicContact CD1-CG1 4.07Å; L477-L507 HydrophobicContact CB-CD1 4.42Å; L477-L507 HydrophobicContact CB-CD2 4.02Å; L477-L507 HydrophobicContact CD1-CD1 3.7Å
478	L	86	Confident	89.6	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.005	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-64.3	-30.6	-172.8	-60	177.9	0	0	0	115	L376 L381 L384 E475 I480 A481 L506 L507 L510	L376-L478 HydrophobicContact CD2-CB 4.11Å; L381-L478 HydrophobicContact CD2-CD1 3.35Å; L384-L478 HydrophobicContact CD1-CB 3.74Å; E475-L478 HydrophobicContact CB-CD1 4.43Å; E475-L478 WeakPolarHBondContact O-CB 3.32Å; E475-L478 WeakPolarHBondContact O-CG 3.18Å; E475-L478 PolarHBondContact O-N 3.07Å; L478-I480 PolarHBondContact O-N 3.09Å; L478-I480 VanDerWaalsContact O-N 3.15Å; L478-A481 WeakPolarHBondContact O-CB 3.4Å; L478-A481 PolarHBondContact O-N 3.48Å; L478-L506 HydrophobicContact CD1-CD2 3.57Å; L478-L506 HydrophobicContact CD1-CG 4.44Å; L478-L506 HydrophobicContact CD2-CD2 4.09Å; L478-L506 HydrophobicContact CD2-CG 4.14Å; L478-L506 HydrophobicContact CG-CD2 4.37Å; L478-L507 HydrophobicContact CD2-CD2 3.74Å; L478-L510 HydrophobicContact CD2-CD1 3.95Å
479	P	89.4	Confident	89.6	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-57.1	-24.8	174.7	-35.2	44.4	0	0	0	115.5	V233 P234 L235 L376 A481 V482	V233-P479 HydrophobicContact CG1-CB 4.38Å; V233-P479 VanDerWaalsContact O-CG 3.28Å; V233-P479 WeakPolarHBondContact O-CG 3.42Å; P234-P479 VanDerWaalsContact O-CB 3.27Å; P234-P479 WeakPolarHBondContact O-CB 3.23Å; L235-P479 HydrophobicContact CB-CB 4.41Å; L235-P479 HydrophobicContact CB-CG 4.18Å; L235-P479 HydrophobicContact CD1-CB 4.49Å; L376-P479 HydrophobicContact CB-CG 4.21Å; L376-P479 HydrophobicContact CD2-CG 4.12Å; P479-A481 PolarHBondContact O-N 3.35Å; P479-A481 VanDerWaalsContact O-N 3.09Å; P479-V482 WeakPolarHBondContact O-CG2 3.5Å; P479-V482 PolarHBondContact O-N 2.79Å
480	I	91.1	Very high	89.5	Confident	0 Å²	0	26 Å²	26	0%	0	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-63.5	-18.6	174.9	86.3	-176	0	0	0	112.5	V233 L477 L478 V482 W483 L486 C489 L511	V233-I480 HydrophobicContact CB-CG2 4.4Å; V233-I480 HydrophobicContact CG1-CG2 4.05Å; V233-I480 HydrophobicContact CG2-CG2 4.22Å; L477-I480 WeakPolarHBondContact O-CG1 3.44Å; L477-I480 WeakPolarHBondContact O-CG2 3.41Å; L477-I480 PolarHBondContact O-N 2.97Å; L478-I480 PolarHBondContact O-N 3.09Å; L478-I480 VanDerWaalsContact O-N 3.15Å; I480-V482 PolarHBondContact O-N 3.14Å; I480-W483 HydrophobicContact CB-CD2 4.23Å; I480-W483 HydrophobicContact CB-CE3 3.89Å; I480-W483 HydrophobicContact CB-CH2 4.18Å; I480-W483 HydrophobicContact CB-CZ2 4.48Å; I480-W483 HydrophobicContact CB-CZ3 3.86Å; I480-W483 HydrophobicContact CG2-CE3 4.21Å; I480-W483 HydrophobicContact CG2-CH2 3.58Å; I480-W483 HydrophobicContact CG2-CZ2 4.02Å; I480-W483 HydrophobicContact CG2-CZ3 3.67Å; I480-W483 PolarHBondContact O-N 2.81Å; I480-L486 HydrophobicContact CB-CD2 3.83Å; I480-L486 HydrophobicContact CD1-CD2 4.06Å; I480-L486 HydrophobicContact CG1-CD2 3.9Å; I480-C489 HydrophobicContact CD1-CB 3.87Å; I480-C489 WeakPolarHBondContact CD1-SG 3.16Å; I480-L511 HydrophobicContact CD1-CD1 3.9Å; I480-L511 HydrophobicContact CG1-CD1 4.15Å; I480-L511 HydrophobicContact CG1-CD2 4Å
481	A	86.8	Confident	89.3	Confident	1 Å²	1	20.4 Å²	20.4	1%	0.008	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-57.2	-34.7	175.7	0	0	0	0	0	112.5	I388 K391 L478 P479 L511 L515	I388-A481 HydrophobicContact CD1-CB 3.84Å; I388-A481 HydrophobicContact CG1-CB 4.02Å; K391-A481 WeakPolarHBondContact CD-O 3.39Å; K391-A481 PolarHBondContact NZ-O 2.67Å; L478-A481 WeakPolarHBondContact O-CB 3.4Å; L478-A481 PolarHBondContact O-N 3.48Å; P479-A481 PolarHBondContact O-N 3.35Å; P479-A481 VanDerWaalsContact O-N 3.09Å; A481-L511 HydrophobicContact CB-CD2 3.85Å; A481-L515 HydrophobicContact CB-CD1 3.64Å
482	V	87.8	Confident	89.2	Confident	18 Å²	18	21.8 Å²	21.8	11%	0.109	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-82.5	-17.1	-173.6	-45.5	0	0	0	0	113.8	L235 L384 L387 I388 P479 I480	L235-V482 HydrophobicContact CD1-CG1 4.35Å; L235-V482 HydrophobicContact CD1-CG2 4.34Å; L384-V482 HydrophobicContact CD2-CG1 3.86Å; L387-V482 HydrophobicContact CB-CB 4Å; L387-V482 HydrophobicContact CB-CG1 3.66Å; L387-V482 HydrophobicContact CD1-CG1 4.13Å; I388-V482 HydrophobicContact CG1-CG1 4.22Å; P479-V482 WeakPolarHBondContact O-CG2 3.5Å; P479-V482 PolarHBondContact O-N 2.79Å; I480-V482 PolarHBondContact O-N 3.14Å
483	W	92.4	Very high	89.2	Confident	1 Å²	1	22.9 Å²	22.9	0%	0.004	12%	0.118	C	C	.	.			trans	-68.4	119.7	-176.7	-55.5	-17.4	0	0	0	110.2	F211 V233 K391 F458 L461 I464 I480 K485 L486	F211-W483 HydrophobicContact CE1-CH2 4.14Å; V233-W483 HydrophobicContact CG1-CH2 3.79Å; V233-W483 HydrophobicContact CG1-CZ2 3.53Å; K391-W483 VanDerWaalsContact CE-O 3.22Å; K391-W483 WeakPolarHBondContact CE-O 3.36Å; K391-W483 PolarHBondContact NZ-O 3.04Å; F458-W483 HydrophobicContact CB-CB 4.3Å; F458-W483 HydrophobicContact CB-CD2 4.43Å; F458-W483 HydrophobicContact CB-CG 4.13Å; F458-W483 AromaticContact CD2-CD1 3.95Å; F458-W483 AromaticContact CD2-CD2 3.88Å; F458-W483 HydrophobicContact CD2-CD2 3.88Å; F458-W483 AromaticContact CD2-CE2 3.55Å; F458-W483 HydrophobicContact CD2-CG 4.14Å; F458-W483 AromaticContact CD2-CZ2 3.92Å; F458-W483 HydrophobicContact CD2-CZ2 3.92Å; F458-W483 AromaticContact CD2-NE1 3.62Å; F458-W483 AromaticContact CE2-CE2 3.89Å; F458-W483 HydrophobicContact CE2-CH2 4.31Å; F458-W483 AromaticContact CE2-CZ2 3.77Å; F458-W483 HydrophobicContact CE2-CZ2 3.77Å; F458-W483 HydrophobicContact CG-CD2 4.39Å; L461-W483 HydrophobicContact CD2-CE3 3.81Å; L461-W483 HydrophobicContact CD2-CZ3 3.93Å; I464-W483 HydrophobicContact CD1-CH2 3.74Å; I464-W483 HydrophobicContact CD1-CZ3 3.57Å; I464-W483 HydrophobicContact CG2-CZ3 4.21Å; I480-W483 HydrophobicContact CB-CD2 4.23Å; I480-W483 HydrophobicContact CB-CE3 3.89Å; I480-W483 HydrophobicContact CB-CH2 4.18Å; I480-W483 HydrophobicContact CB-CZ2 4.48Å; I480-W483 HydrophobicContact CB-CZ3 3.86Å; I480-W483 HydrophobicContact CG2-CE3 4.21Å; I480-W483 HydrophobicContact CG2-CH2 3.58Å; I480-W483 HydrophobicContact CG2-CZ2 4.02Å; I480-W483 HydrophobicContact CG2-CZ3 3.67Å; I480-W483 PolarHBondContact O-N 2.81Å; W483-K485 PolarHBondContact O-N 3.42Å; W483-L486 HydrophobicContact CB-CB 4.21Å; W483-L486 HydrophobicContact CE3-CD1 4.18Å; W483-L486 HydrophobicContact CE3-CD2 3.87Å; W483-L486 HydrophobicContact CE3-CG 4.48Å; W483-L486 HydrophobicContact CZ3-CD2 4.41Å; W483-L486 PolarHBondContact O-N 3.08Å
484	P	90	Very high	89.5	Confident	30 Å²	30	21.1 Å²	21.1	20%	0.195	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-33.1	-153.2	24.5	-36.8	0	0	0	114.8	P456	P456-P484 HydrophobicContact CG-CG 3.83Å
485	K	93.7	Very high	89.6	Confident	66 Å²	66	22.5 Å²	22.5	29%	0.287	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	1.3	-176.7	-63.3	-166.6	-168.2	170.4	0	114.7	F460 L461 Q462 W483 R487	F460-K485 HydrophobicContact CD1-CD 4.45Å; L461-K485 CarbonylContact O-C 3.19Å; Q462-K485 HydrophobicContact CG-CB 4.18Å; W483-K485 PolarHBondContact O-N 3.42Å; K485-R487 VanDerWaalsContact O-CG 3.3Å; K485-R487 WeakPolarHBondContact O-CG 3.21Å; K485-R487 PolarHBondContact O-N 3.26Å
486	L	95.4	Very high	89.6	Confident	8 Å²	8	22 Å²	22	4%	0.042	12%	0.115	C	C	.	.			trans	-60.8	126.4	-175.1	-167.8	76.1	0	0	0	111	L461 I464 I480 W483 E488 I517	L461-L486 HydrophobicContact CD2-CD1 4.22Å; L461-L486 HydrophobicContact CG-CD1 4.29Å; L461-L486 VanDerWaalsContact O-CA 3.28Å; L461-L486 WeakPolarHBondContact O-CA 3.36Å; L461-L486 PolarHBondContact O-N 3.14Å; I464-L486 HydrophobicContact CB-CD1 4.38Å; I464-L486 HydrophobicContact CG2-CD1 4.12Å; I480-L486 HydrophobicContact CB-CD2 3.83Å; I480-L486 HydrophobicContact CD1-CD2 4.06Å; I480-L486 HydrophobicContact CG1-CD2 3.9Å; W483-L486 HydrophobicContact CB-CB 4.21Å; W483-L486 HydrophobicContact CE3-CD1 4.18Å; W483-L486 HydrophobicContact CE3-CD2 3.87Å; W483-L486 HydrophobicContact CE3-CG 4.48Å; W483-L486 HydrophobicContact CZ3-CD2 4.41Å; W483-L486 PolarHBondContact O-N 3.08Å; L486-E488 WeakPolarHBondContact CD1-O 3.45Å; L486-I517 HydrophobicContact CD2-CD1 4.42Å; L486-I517 HydrophobicContact CD2-CG2 4.49Å
487	R	92	Very high	89.2	Confident	109 Å²	109	21 Å²	21	41%	0.411	11%	0.111	S	C	.	.			trans	-116.6	-29.9	-179.7	-50.8	-172.4	175.5	-74.9	1.7	112.5	Y395 Q462 K485 I517 N518	Y395-R487 PolarHBondContact OH-NH1 3.02Å; Y395-R487 PolarHBondContact OH-NH2 3.4Å; Y395-R487 VanDerWaalsContact OH-NH2 3.1Å; Q462-R487 HydrophobicContact CB-CG 4.48Å; Q462-R487 WeakPolarHBondContact O-CA 3.25Å; Q462-R487 PolarHBondContact O-N 3.46Å; K485-R487 VanDerWaalsContact O-CG 3.3Å; K485-R487 WeakPolarHBondContact O-CG 3.21Å; K485-R487 PolarHBondContact O-N 3.26Å; R487-I517 CarbonylContact O-C 3.55Å; R487-I517 WeakPolarHBondContact O-CA 3.46Å; R487-N518 PolarHBondContact O-N 3.05Å
488	E	92.8	Very high	88	Confident	42 Å²	42	22.4 Å²	22.4	20%	0.196	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	137.9	-168.7	-71.4	175.7	-177.9	0	0	110.2	Q462 S463 I464 L486 N518 Y520	Q462-E488 PolarHBondContact O-N 3.19Å; S463-E488 WeakPolarHBondContact CA-O 3.48Å; S463-E488 VanDerWaalsContact OG-CB 3.23Å; S463-E488 WeakPolarHBondContact OG-CB 3.39Å; S463-E488 PolarHBondContact OG-OE2 3.2Å; I464-E488 PolarHBondContact N-O 3.23Å; I464-E488 VanDerWaalsContact N-O 3.15Å; L486-E488 WeakPolarHBondContact CD1-O 3.45Å; E488-N518 WeakPolarHBondContact CA-O 3.41Å; E488-N518 HydrophobicContact CG-CB 4.15Å; E488-Y520 HydrophobicContact CB-CE2 4.1Å; E488-Y520 HydrophobicContact CG-CE2 3.96Å
489	C	93.6	Very high	86.7	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	122.5	174.1	-176.7	0	0	0	0	109.3	I464 I480 I517 N518 L519 Y520	I464-C489 HydrophobicContact CG2-CB 4.09Å; I464-C489 WeakPolarHBondContact O-CA 3.48Å; I480-C489 HydrophobicContact CD1-CB 3.87Å; I480-C489 WeakPolarHBondContact CD1-SG 3.16Å; C489-I517 HydrophobicContact CB-CG2 4.28Å; C489-N518 PolarHBondContact N-O 3Å; C489-L519 HydrophobicContact CB-CD1 3.87Å; C489-L519 WeakPolarHBondContact O-CA 3.41Å; C489-Y520 PolarHBondContact O-N 3.48Å
490	I	92.4	Very high	85.2	Confident	2 Å²	2	27.4 Å²	27.4	1%	0.01	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	122.9	179	-54.5	157.7	0	0	0	107.3	I464 D465 L466 S467 Y492 Y520 N526	I464-I490 PolarHBondContact O-N 2.82Å; D465-I490 HydrophobicContact CB-CB 4.15Å; D465-I490 HydrophobicContact CB-CD1 4Å; D465-I490 VanDerWaalsContact OD2-CD1 3.29Å; D465-I490 WeakPolarHBondContact OD2-CD1 3.19Å; D465-I490 WeakPolarHBondContact OD2-CG2 3.44Å; L466-I490 CarbonylContact C-O 3.47Å; L466-I490 WeakPolarHBondContact CA-O 3.13Å; L466-I490 PolarHBondContact N-O 3.1Å; S467-I490 PolarHBondContact N-O 3.5Å; I490-Y492 HydrophobicContact CG2-CD1 3.42Å; I490-Y492 VanDerWaalsContact CG2-CD1 3.42Å; I490-Y492 HydrophobicContact CG2-CE1 3.25Å; I490-Y492 HydrophobicContact CG2-CG 4.43Å; I490-Y520 HydrophobicContact CG1-CD2 3.61Å; I490-Y520 HydrophobicContact CG1-CE2 4.49Å; I490-Y520 HydrophobicContact CG1-CG 4.27Å; I490-N526 WeakPolarHBondContact CD1-ND2 3.43Å
491	I	90.5	Very high	83.8	Confident	2 Å²	2	30.2 Å²	30.2	1%	0.01	17%	0.167	C	C	.	.			trans	-134.5	10.7	-171.3	46.9	156.4	0	0	0	113.9	L466 L477 N494 I497 L519 Y520	L466-I491 HydrophobicContact CB-CG2 4.14Å; L477-I491 HydrophobicContact CD1-CD1 3.96Å; L477-I491 HydrophobicContact CD1-CG2 4.12Å; L477-I491 HydrophobicContact CD2-CG2 4.01Å; I491-N494 WeakPolarHBondContact O-CB 3.18Å; I491-N494 PolarHBondContact O-N 3.25Å; I491-N494 PolarHBondContact O-ND2 2.75Å; I491-I497 HydrophobicContact CB-CD1 4.08Å; I491-I497 HydrophobicContact CD1-CD1 3.64Å; I491-I497 HydrophobicContact CD1-CG1 4.08Å; I491-I497 HydrophobicContact CG1-CD1 3.66Å; I491-I497 WeakPolarHBondContact O-CD1 2.99Å; I491-L519 HydrophobicContact CD1-CD1 3.62Å; I491-L519 HydrophobicContact CD1-CD2 3.85Å; I491-L519 HydrophobicContact CD1-CG 3.68Å; I491-L519 HydrophobicContact CG1-CD1 3.81Å; I491-L519 HydrophobicContact CG1-CG 4.02Å; I491-Y520 PolarHBondContact N-O 3.45Å
492	Y	87	Confident	82.9	Confident	31 Å²	31	39.6 Å²	39.6	12%	0.122	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	156.3	-178.6	60.7	-109.7	0	0	0	113.4	S467 H468 I490 N494 R521 P523	S467-Y492 CarbonylContact C-O 3.57Å; S467-Y492 WeakPolarHBondContact CA-O 3.24Å; S467-Y492 VanDerWaalsContact CB-CD2 3.47Å; S467-Y492 VanDerWaalsContact CB-CE2 3.44Å; S467-Y492 VanDerWaalsContact CB-O 3.23Å; S467-Y492 WeakPolarHBondContact CB-O 3.47Å; H468-Y492 AromaticContact CD2-CD2 3.81Å; H468-Y492 AromaticContact CD2-CE2 3.56Å; H468-Y492 PolarHBondContact N-O 3Å; H468-Y492 AromaticContact NE2-CD2 3.7Å; H468-Y492 AromaticContact NE2-CE2 3.47Å; H468-Y492 WeakPolarHBondContact NE2-CE2 3.42Å; I490-Y492 HydrophobicContact CG2-CD1 3.42Å; I490-Y492 VanDerWaalsContact CG2-CD1 3.42Å; I490-Y492 HydrophobicContact CG2-CE1 3.25Å; I490-Y492 HydrophobicContact CG2-CG 4.43Å; Y492-N494 PolarHBondContact O-N 3.04Å; Y492-N494 VanDerWaalsContact O-N 3.15Å; Y492-N494 PolarHBondContact O-ND2 2.92Å; Y492-R521 VanDerWaalsContact CB-C 3.49Å; Y492-R521 WeakPolarHBondContact CB-O 3.34Å; Y492-P523 HydrophobicContact CD1-CG 4.19Å; Y492-P523 HydrophobicContact CD2-CG 3.93Å; Y492-P523 HydrophobicContact CE1-CB 4.18Å; Y492-P523 HydrophobicContact CE1-CG 4.07Å; Y492-P523 HydrophobicContact CE2-CG 3.82Å; Y492-P523 HydrophobicContact CG-CG 4.14Å
493	A	87.1	Confident	82	Confident	59 Å²	59	39.2 Å²	39.2	49%	0.488	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	11.9	-174.3	0	0	0	0	0	116.7	H468	H468-A493 HydrophobicContact CB-CB 4.46Å
494	N	87.3	Confident	81.1	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.005	20%	0.202	C	C	.	.			trans	-85.4	144.7	166.3	-76.7	-95.5	0	0	0	112.1	L466 N469 I471 I491 Y492 V496 I497 S498	L466-N494 PolarHBondContact O-ND2 3.18Å; N469-N494 WeakPolarHBondContact CA-OD1 3.13Å; N469-N494 VanDerWaalsContact CB-OD1 3.29Å; N469-N494 WeakPolarHBondContact CB-OD1 3.49Å; N469-N494 PolarHBondContact O-OD1 2.93Å; N469-N494 VanDerWaalsContact O-OD1 3.05Å; I471-N494 HydrophobicContact CB-CB 4.36Å; I471-N494 VanDerWaalsContact CB-OD1 3.27Å; I471-N494 WeakPolarHBondContact CB-OD1 3.46Å; I471-N494 WeakPolarHBondContact CG1-OD1 3.47Å; I471-N494 PolarHBondContact N-OD1 3.27Å; I491-N494 WeakPolarHBondContact O-CB 3.18Å; I491-N494 PolarHBondContact O-N 3.25Å; I491-N494 PolarHBondContact O-ND2 2.75Å; Y492-N494 PolarHBondContact O-N 3.04Å; Y492-N494 VanDerWaalsContact O-N 3.15Å; Y492-N494 PolarHBondContact O-ND2 2.92Å; N494-V496 HydrophobicContact CB-CG1 3.97Å; N494-V496 PolarHBondContact O-N 3.4Å; N494-V496 VanDerWaalsContact O-N 3.15Å; N494-I497 PolarHBondContact O-N 2.94Å; N494-S498 PolarHBondContact O-N 2.95Å; N494-S498 VanDerWaalsContact O-N 3.12Å
495	P	86.3	Confident	80.5	Confident	48 Å²	48	42.7 Å²	42.7	31%	0.312	21%	0.214	S	C	.	.	H	α-helix	trans	-56.8	-27.8	177.9	-26.7	33.7	0	0	0	115.7	I471 I497 S498	I471-P495 VanDerWaalsContact O-CD 3.31Å; I471-P495 WeakPolarHBondContact O-CD 3.44Å; P495-I497 PolarHBondContact O-N 3.13Å; P495-S498 PolarHBondContact O-N 3.07Å; P495-S498 PolarHBondContact O-OG 2.71Å
496	V	83.1	Confident	79.7	Confident	11 Å²	11	39.6 Å²	39.6	7%	0.067	20%	0.201	C	C	.	.	H	α-helix	trans	-60.5	-23.7	173.9	68.3	0	0	0	0	113.1	I471 C473 L477 N494 P504	I471-V496 HydrophobicContact CG2-CG1 4.42Å; I471-V496 WeakPolarHBondContact O-CB 3.37Å; I471-V496 WeakPolarHBondContact O-CG1 3.46Å; I471-V496 PolarHBondContact O-N 2.81Å; C473-V496 VanDerWaalsContact C-CG2 3.45Å; C473-V496 WeakPolarHBondContact O-CG2 3.16Å; L477-V496 HydrophobicContact CD1-CG1 4.07Å; N494-V496 HydrophobicContact CB-CG1 3.97Å; N494-V496 PolarHBondContact O-N 3.4Å; N494-V496 VanDerWaalsContact O-N 3.15Å; V496-P504 HydrophobicContact CG2-CG 4.06Å
497	I	78.4	Confident	79.1	Confident	12 Å²	12	39.2 Å²	39.2	6%	0.062	20%	0.199	C	C	.	.	H	α-helix	trans	-98.3	-35	172.1	-47.4	-178.1	0	0	0	111.1	I491 N494 P495 K499 S500 R521	I491-I497 HydrophobicContact CB-CD1 4.08Å; I491-I497 HydrophobicContact CD1-CD1 3.64Å; I491-I497 HydrophobicContact CD1-CG1 4.08Å; I491-I497 HydrophobicContact CG1-CD1 3.66Å; I491-I497 WeakPolarHBondContact O-CD1 2.99Å; N494-I497 PolarHBondContact O-N 2.94Å; P495-I497 PolarHBondContact O-N 3.13Å; I497-K499 PolarHBondContact O-N 2.86Å; I497-S500 PolarHBondContact O-N 3.04Å; I497-R521 HydrophobicContact CD1-CB 3.99Å; I497-R521 HydrophobicContact CD1-CG 4.06Å; I497-R521 HydrophobicContact CG2-CB 4.25Å
498	S	64.8	Low	78.6	Confident	29 Å²	29	37 Å²	37	20%	0.203	19%	0.193	C	C	.	.	H	α-helix	trans	-55	-33.7	-168.9	82.9	0	0	0	0	112.9	N494 P495 S500 L610 S614 L615	N494-S498 PolarHBondContact O-N 2.95Å; N494-S498 VanDerWaalsContact O-N 3.12Å; P495-S498 PolarHBondContact O-N 3.07Å; P495-S498 PolarHBondContact O-OG 2.71Å; S498-S500 PolarHBondContact O-N 2.94Å; S498-L610 VanDerWaalsContact CA-CD1 3.49Å; S498-L610 VanDerWaalsContact O-CD1 3.24Å; S498-L610 WeakPolarHBondContact O-CD1 3.48Å; S498-S614 PolarHBondContact OG-O 3.41Å; S498-L615 VanDerWaalsContact O-CD2 3.32Å; S498-L615 WeakPolarHBondContact O-CD2 3.4Å
499	K	58.3	Low	78	Confident	62 Å²	62	37.4 Å²	37.4	27%	0.27	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-10.7	-179	-60.8	-165	170.5	-148.5	0	115.7	I497 L615 G618 P619	I497-K499 PolarHBondContact O-N 2.86Å; K499-L615 WeakPolarHBondContact CE-O 3.28Å; K499-L615 PolarHBondContact NZ-O 2.89Å; K499-G618 PolarHBondContact NZ-O 3.39Å; K499-P619 PolarHBondContact NZ-O 3.14Å
500	S	59.2	Low	77.4	Confident	43 Å²	43	37.7 Å²	37.7	30%	0.301	19%	0.194	S	C	.	.			trans	-151.8	126.9	-170.9	174.6	0	0	0	0	115.2	I497 S498 R502	I497-S500 PolarHBondContact O-N 3.04Å; S498-S500 PolarHBondContact O-N 2.94Å; S500-R502 VanDerWaalsContact C-N 3.29Å; S500-R502 PolarHBondContact O-N 2.84Å; S500-R502 PolarHBondContact OG-N 2.63Å; S500-R502 PolarHBondContact OG-O 3.24Å
501	S	61	Low	77	Confident	59 Å²	59	37.6 Å²	37.6	41%	0.413	19%	0.194	S	C	.	.	S	Bend	trans	-69.7	-22.6	168.2	57.7	0	0	0	0	113.8	R521 Y608	S501-R521 PolarHBondContact O-NH1 2.9Å; S501-R521 PolarHBondContact O-NH2 2.97Å; S501-Y608 WeakPolarHBondContact CB-O 3.24Å
502	R	67.8	Low	76.7	Confident	198 Å²	198	38 Å²	38	75%	0.747	20%	0.196	S	C	*	.	S	Bend	trans	-81	152.1	169.9	-63.2	-175	178.5	-136.3	1.2	110.1	S500	S500-R502 VanDerWaalsContact C-N 3.29Å; S500-R502 PolarHBondContact O-N 2.84Å; S500-R502 PolarHBondContact OG-N 2.63Å; S500-R502 PolarHBondContact OG-O 3.24Å
503	I	68.1	Low	76.5	Confident	11 Å²	11	41.2 Å²	41.2	6%	0.056	21%	0.212	C	C	.	.			trans	-68.5	136.2	169.8	-51.2	-166.1	0	0	0	108.3	Q505 L507 E508 I512 L519 V605	I503-Q505 PolarHBondContact O-N 3.34Å; I503-L507 HydrophobicContact CG2-CB 4.19Å; I503-E508 HydrophobicContact CB-CB 4.11Å; I503-E508 HydrophobicContact CB-CG 4.45Å; I503-E508 HydrophobicContact CG2-CB 4.06Å; I503-I512 HydrophobicContact CD1-CD1 3.39Å; I503-L519 HydrophobicContact CG2-CD2 4.14Å; I503-V605 HydrophobicContact CD1-CB 4.33Å; I503-V605 HydrophobicContact CD1-CG1 3.62Å; I503-V605 HydrophobicContact CD1-CG2 3.7Å; I503-V605 HydrophobicContact CG1-CG1 4.18Å
504	P	74.1	Confident	76.2	Confident	8 Å²	8	42 Å²	42	5%	0.052	21%	0.206	C	C	.	.			trans	-22	114.7	146.8	-43.5	43.9	0	0	0	114.2	E474 V496 L506 L507 E508	E474-P504 HydrophobicContact CB-CB 4.28Å; E474-P504 VanDerWaalsContact CD-CA 3.41Å; E474-P504 HydrophobicContact CG-CB 3.66Å; E474-P504 HydrophobicContact CG-CG 4.21Å; E474-P504 VanDerWaalsContact OE1-CA 3.31Å; E474-P504 WeakPolarHBondContact OE1-CA 3.47Å; E474-P504 WeakPolarHBondContact OE2-CA 3.45Å; E474-P504 VanDerWaalsContact OE2-CB 3.3Å; E474-P504 WeakPolarHBondContact OE2-CB 3.28Å; V496-P504 HydrophobicContact CG2-CG 4.06Å; P504-L506 PolarHBondContact O-N 3.49Å; P504-L507 HydrophobicContact CB-CB 3.89Å; P504-L507 HydrophobicContact CB-CD1 3.59Å; P504-L507 HydrophobicContact CB-CG 3.55Å; P504-L507 HydrophobicContact CG-CD1 3.97Å; P504-L507 HydrophobicContact CG-CG 4.47Å; P504-L507 PolarHBondContact O-N 3.23Å; P504-L507 VanDerWaalsContact O-N 3.16Å; P504-E508 PolarHBondContact O-N 3.24Å
505	Q	77.1	Confident	76.1	Confident	96 Å²	96	43.1 Å²	43.1	45%	0.449	21%	0.212	S	C	.	.	H	α-helix	trans	-69	-26.7	-166.7	-178.3	62.1	97.7	0	0	112.2	E474 I503 R509 V626	E474-Q505 PolarHBondContact OE1-N 2.97Å; E474-Q505 PolarHBondContact OE2-N 3.49Å; I503-Q505 PolarHBondContact O-N 3.34Å; Q505-R509 WeakPolarHBondContact O-CB 3.17Å; Q505-R509 PolarHBondContact O-N 3.31Å; Q505-V626 HydrophobicContact CB-CG2 4.13Å; Q505-V626 HydrophobicContact CG-CB 4.44Å; Q505-V626 HydrophobicContact CG-CG1 4.33Å; Q505-V626 HydrophobicContact CG-CG2 4.04Å
506	L	77.8	Confident	76.2	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-74.8	-42	174.1	-165.5	61.5	0	0	0	111	E474 L478 P504 R509 L510 V626 I629 L630	E474-L506 HydrophobicContact CB-CB 4.45Å; E474-L506 WeakPolarHBondContact OE2-CA 3.42Å; E474-L506 WeakPolarHBondContact OE2-CB 3.43Å; E474-L506 PolarHBondContact OE2-N 2.71Å; L478-L506 HydrophobicContact CD1-CD2 3.57Å; L478-L506 HydrophobicContact CD1-CG 4.44Å; L478-L506 HydrophobicContact CD2-CD2 4.09Å; L478-L506 HydrophobicContact CD2-CG 4.14Å; L478-L506 HydrophobicContact CG-CD2 4.37Å; P504-L506 PolarHBondContact O-N 3.49Å; L506-R509 PolarHBondContact O-N 3.2Å; L506-L510 HydrophobicContact CD1-CD1 3.69Å; L506-L510 HydrophobicContact CD1-CG 3.98Å; L506-L510 HydrophobicContact CG-CD1 3.82Å; L506-L510 HydrophobicContact CG-CG 4.27Å; L506-L510 WeakPolarHBondContact O-CB 3.28Å; L506-L510 WeakPolarHBondContact O-CG 3.41Å; L506-L510 PolarHBondContact O-N 3.08Å; L506-V626 HydrophobicContact CB-CG2 4.05Å; L506-V626 HydrophobicContact CD1-CB 4.44Å; L506-V626 HydrophobicContact CD1-CG1 4.05Å; L506-V626 HydrophobicContact CD1-CG2 4.18Å; L506-I629 HydrophobicContact CD1-CD1 4.46Å; L506-I629 HydrophobicContact CD1-CG2 4.21Å; L506-I629 HydrophobicContact CD2-CD1 4.49Å; L506-L630 HydrophobicContact CD1-CD1 4.19Å
507	L	81.9	Confident	76.4	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-65	-42.3	176.3	-54.2	-174.1	0	0	0	111.7	E474 L477 L478 I503 P504 R509 L511 I512 L519	E474-L507 HydrophobicContact CB-CD2 4.48Å; E474-L507 HydrophobicContact CB-CG 4.33Å; E474-L507 WeakPolarHBondContact O-CD2 3.46Å; L477-L507 HydrophobicContact CB-CD1 4.42Å; L477-L507 HydrophobicContact CB-CD2 4.02Å; L477-L507 HydrophobicContact CD1-CD1 3.7Å; L478-L507 HydrophobicContact CD2-CD2 3.74Å; I503-L507 HydrophobicContact CG2-CB 4.19Å; P504-L507 HydrophobicContact CB-CB 3.89Å; P504-L507 HydrophobicContact CB-CD1 3.59Å; P504-L507 HydrophobicContact CB-CG 3.55Å; P504-L507 HydrophobicContact CG-CD1 3.97Å; P504-L507 HydrophobicContact CG-CG 4.47Å; P504-L507 PolarHBondContact O-N 3.23Å; P504-L507 VanDerWaalsContact O-N 3.16Å; L507-R509 VanDerWaalsContact C-N 3.31Å; L507-R509 PolarHBondContact O-N 3.07Å; L507-L511 HydrophobicContact CB-CD1 4.24Å; L507-L511 HydrophobicContact CD2-CD1 3.85Å; L507-L511 HydrophobicContact CD2-CG 4.41Å; L507-L511 WeakPolarHBondContact O-CB 3.47Å; L507-L511 PolarHBondContact O-N 2.87Å; L507-I512 PolarHBondContact O-N 3.35Å; L507-L519 HydrophobicContact CB-CD2 4.17Å; L507-L519 HydrophobicContact CD1-CD2 4.29Å
508	E	82.2	Confident	76.9	Confident	62 Å²	62	47.3 Å²	47.3	29%	0.29	23%	0.226	S	C	.	.	I	π-helix	trans	-60.4	-42.9	176.9	-161	-174.1	131.4	0	0	111	I503 P504 I512 Q513	I503-E508 HydrophobicContact CB-CB 4.11Å; I503-E508 HydrophobicContact CB-CG 4.45Å; I503-E508 HydrophobicContact CG2-CB 4.06Å; P504-E508 PolarHBondContact O-N 3.24Å; E508-I512 HydrophobicContact CG-CD1 4.45Å; E508-I512 WeakPolarHBondContact O-CB 3.4Å; E508-Q513 WeakPolarHBondContact O-CB 3.44Å; E508-Q513 VanDerWaalsContact O-CG 3.24Å; E508-Q513 WeakPolarHBondContact O-CG 3.47Å; E508-Q513 PolarHBondContact O-N 3.47Å; E508-Q513 PolarHBondContact OE1-NE2 2.85Å; E508-Q513 VanDerWaalsContact OE1-NE2 3.14Å
509	R	80.2	Confident	78	Confident	52 Å²	52	46 Å²	46	20%	0.196	22%	0.217	C	C	.	.	I	π-helix	trans	-80.2	-36	-176.3	-170.7	158.5	160.7	-163.4	-13.1	113.8	Q505 L506 L507 Q514 V626 N627 L630	Q505-R509 WeakPolarHBondContact O-CB 3.17Å; Q505-R509 PolarHBondContact O-N 3.31Å; L506-R509 PolarHBondContact O-N 3.2Å; L507-R509 VanDerWaalsContact C-N 3.31Å; L507-R509 PolarHBondContact O-N 3.07Å; R509-Q514 WeakPolarHBondContact O-CG 3.27Å; R509-Q514 PolarHBondContact O-N 3.4Å; R509-V626 HydrophobicContact CB-CG1 4.48Å; R509-N627 PolarHBondContact NH1-OD1 2.88Å; R509-L630 HydrophobicContact CB-CD1 4.33Å; R509-L630 HydrophobicContact CG-CD1 3.82Å; R509-L630 HydrophobicContact CG-CD2 3.95Å; R509-L630 VanDerWaalsContact NH2-CB 3.31Å
510	L	80.1	Confident	79.3	Confident	6 Å²	6	43.4 Å²	43.4	3%	0.031	21%	0.206	C	C	.	.	I	π-helix	trans	-86	-61.7	179.7	-61.7	-173.1	0	0	0	112.2	L478 L506 Q514 L515 L630 M633	L478-L510 HydrophobicContact CD2-CD1 3.95Å; L506-L510 HydrophobicContact CD1-CD1 3.69Å; L506-L510 HydrophobicContact CD1-CG 3.98Å; L506-L510 HydrophobicContact CG-CD1 3.82Å; L506-L510 HydrophobicContact CG-CG 4.27Å; L506-L510 WeakPolarHBondContact O-CB 3.28Å; L506-L510 WeakPolarHBondContact O-CG 3.41Å; L506-L510 PolarHBondContact O-N 3.08Å; L510-Q514 VanDerWaalsContact CD2-OE1 3.24Å; L510-Q514 WeakPolarHBondContact O-CB 3.47Å; L510-Q514 PolarHBondContact O-N 2.87Å; L510-L515 PolarHBondContact O-N 2.74Å; L510-L515 VanDerWaalsContact O-N 3.1Å; L510-L630 HydrophobicContact CD2-CD1 3.85Å; L510-L630 HydrophobicContact CD2-CD2 3.76Å; L510-L630 HydrophobicContact CD2-CG 3.84Å; L510-L630 HydrophobicContact CG-CD1 4.47Å; L510-M633 HydrophobicContact CD2-CE 3.96Å; L510-M633 HydrophobicContact CD2-SD 3.58Å; L510-M633 VanDerWaalsContact CD2-SD 3.58Å
511	L	85.1	Confident	80.2	Confident	0 Å²	0	42 Å²	42	0%	0	19%	0.194	C	C	.	.	I	π-helix	trans	-71.5	-45.6	-172.4	-56.1	-178.8	0	0	0	111.4	I480 A481 L507 L515 H516 I517	I480-L511 HydrophobicContact CD1-CD1 3.9Å; I480-L511 HydrophobicContact CG1-CD1 4.15Å; I480-L511 HydrophobicContact CG1-CD2 4Å; A481-L511 HydrophobicContact CB-CD2 3.85Å; L507-L511 HydrophobicContact CB-CD1 4.24Å; L507-L511 HydrophobicContact CD2-CD1 3.85Å; L507-L511 HydrophobicContact CD2-CG 4.41Å; L507-L511 WeakPolarHBondContact O-CB 3.47Å; L507-L511 PolarHBondContact O-N 2.87Å; L511-L515 CarbonylContact O-C 3.23Å; L511-L515 WeakPolarHBondContact O-CB 3.27Å; L511-H516 PolarHBondContact O-N 2.9Å; L511-I517 HydrophobicContact CB-CB 4.34Å; L511-I517 HydrophobicContact CB-CD1 4.29Å; L511-I517 HydrophobicContact CD2-CD1 3.97Å; L511-I517 WeakPolarHBondContact O-CB 3.4Å; L511-I517 PolarHBondContact O-N 3.38Å
512	I	84.1	Confident	80.9	Confident	10 Å²	10	40.8 Å²	40.8	5%	0.051	18%	0.183	C	C	.	.	I	π-helix	trans	-87.3	-54	-171.8	-50.6	-178.2	0	0	0	111.3	I503 L507 E508 H516 L519 P603 V605	I503-I512 HydrophobicContact CD1-CD1 3.39Å; L507-I512 PolarHBondContact O-N 3.35Å; E508-I512 HydrophobicContact CG-CD1 4.45Å; E508-I512 WeakPolarHBondContact O-CB 3.4Å; I512-H516 VanDerWaalsContact O-CA 3.3Å; I512-H516 WeakPolarHBondContact O-CA 3.27Å; I512-H516 PolarHBondContact O-N 3.09Å; I512-H516 PolarHBondContact O-ND1 3.18Å; I512-L519 HydrophobicContact CD1-CB 3.86Å; I512-L519 HydrophobicContact CD1-CD2 4.13Å; I512-L519 HydrophobicContact CG1-CB 4.19Å; I512-P603 HydrophobicContact CG2-CB 3.56Å; I512-P603 HydrophobicContact CG2-CG 3.41Å; I512-P603 VanDerWaalsContact CG2-CG 3.41Å; I512-V605 HydrophobicContact CD1-CG2 4.07Å
513	Q	81.7	Confident	81	Confident	98 Å²	98	34 Å²	34	46%	0.458	17%	0.165	S	C	.	.	I	π-helix	trans	-77.2	-38.3	-174.9	-66.4	169	13.5	0	0	113.6	E508 H516	E508-Q513 WeakPolarHBondContact O-CB 3.44Å; E508-Q513 VanDerWaalsContact O-CG 3.24Å; E508-Q513 WeakPolarHBondContact O-CG 3.47Å; E508-Q513 PolarHBondContact O-N 3.47Å; E508-Q513 PolarHBondContact OE1-NE2 2.85Å; E508-Q513 VanDerWaalsContact OE1-NE2 3.14Å; Q513-H516 PolarHBondContact O-CE1 3.15Å
514	Q	81.6	Confident	81.1	Confident	76 Å²	76	38.6 Å²	38.6	36%	0.355	19%	0.188	S	C	.	.	I	π-helix	trans	-98.2	-21.9	-178.1	-76	-171.7	-41	0	0	115.6	Q392 R509 L510	Q392-Q514 PolarHBondContact NE2-O 2.65Å; R509-Q514 WeakPolarHBondContact O-CG 3.27Å; R509-Q514 PolarHBondContact O-N 3.4Å; L510-Q514 VanDerWaalsContact CD2-OE1 3.24Å; L510-Q514 WeakPolarHBondContact O-CB 3.47Å; L510-Q514 PolarHBondContact O-N 2.87Å
515	L	85.6	Confident	80.6	Confident	25 Å²	25	38.6 Å²	38.6	13%	0.131	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.4	-5.7	-177.9	-65.3	173	0	0	0	114.2	I388 Q392 A481 L510 L511 I517	I388-L515 HydrophobicContact CG2-CD1 4.38Å; I388-L515 HydrophobicContact CG2-CD2 4.21Å; Q392-L515 HydrophobicContact CG-CD2 3.85Å; A481-L515 HydrophobicContact CB-CD1 3.64Å; L510-L515 PolarHBondContact O-N 2.74Å; L510-L515 VanDerWaalsContact O-N 3.1Å; L511-L515 CarbonylContact O-C 3.23Å; L511-L515 WeakPolarHBondContact O-CB 3.27Å; L515-I517 HydrophobicContact CB-CD1 3.96Å; L515-I517 HydrophobicContact CB-CG1 4.16Å; L515-I517 HydrophobicContact CD1-CD1 4.39Å; L515-I517 PolarHBondContact O-N 2.75Å
516	H	87.4	Confident	79.7	Confident	128 Å²	128	34.6 Å²	34.6	59%	0.593	17%	0.169	S	C	*	.			trans	55.3	35.2	176.5	-51.7	-34.8	0	0	0	114.3	L511 I512 Q513	L511-H516 PolarHBondContact O-N 2.9Å; I512-H516 VanDerWaalsContact O-CA 3.3Å; I512-H516 WeakPolarHBondContact O-CA 3.27Å; I512-H516 PolarHBondContact O-N 3.09Å; I512-H516 PolarHBondContact O-ND1 3.18Å; Q513-H516 PolarHBondContact O-CE1 3.15Å
517	I	88.7	Confident	78.8	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.19	C	C	.	.			trans	-82.6	126.5	172.2	-59.9	164.2	0	0	0	108.3	L486 R487 C489 L511 L515	L486-I517 HydrophobicContact CD2-CD1 4.42Å; L486-I517 HydrophobicContact CD2-CG2 4.49Å; R487-I517 CarbonylContact O-C 3.55Å; R487-I517 WeakPolarHBondContact O-CA 3.46Å; C489-I517 HydrophobicContact CB-CG2 4.28Å; L511-I517 HydrophobicContact CB-CB 4.34Å; L511-I517 HydrophobicContact CB-CD1 4.29Å; L511-I517 HydrophobicContact CD2-CD1 3.97Å; L511-I517 WeakPolarHBondContact O-CB 3.4Å; L511-I517 PolarHBondContact O-N 3.38Å; L515-I517 HydrophobicContact CB-CD1 3.96Å; L515-I517 HydrophobicContact CB-CG1 4.16Å; L515-I517 HydrophobicContact CD1-CD1 4.39Å; L515-I517 PolarHBondContact O-N 2.75Å
518	N	89	Confident	77.8	Confident	30 Å²	30	40.4 Å²	40.4	16%	0.16	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	131.5	170.1	-66.6	-31.7	0	0	0	109.6	R487 E488 C489 Y520 P603	R487-N518 PolarHBondContact O-N 3.05Å; E488-N518 WeakPolarHBondContact CA-O 3.41Å; E488-N518 HydrophobicContact CG-CB 4.15Å; C489-N518 PolarHBondContact N-O 3Å; N518-Y520 HydrophobicContact CB-CE2 4.03Å; N518-P603 WeakPolarHBondContact OD1-CA 3.34Å
519	L	88	Confident	76.3	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	101.3	-174.3	-164.1	69.1	0	0	0	110.5	C489 I491 I503 L507 I512	C489-L519 HydrophobicContact CB-CD1 3.87Å; C489-L519 WeakPolarHBondContact O-CA 3.41Å; I491-L519 HydrophobicContact CD1-CD1 3.62Å; I491-L519 HydrophobicContact CD1-CD2 3.85Å; I491-L519 HydrophobicContact CD1-CG 3.68Å; I491-L519 HydrophobicContact CG1-CD1 3.81Å; I491-L519 HydrophobicContact CG1-CG 4.02Å; I503-L519 HydrophobicContact CG2-CD2 4.14Å; L507-L519 HydrophobicContact CB-CD2 4.17Å; L507-L519 HydrophobicContact CD1-CD2 4.29Å; I512-L519 HydrophobicContact CD1-CB 3.86Å; I512-L519 HydrophobicContact CD1-CD2 4.13Å; I512-L519 HydrophobicContact CG1-CB 4.19Å
520	Y	85	Confident	74.4	Confident	8 Å²	8	46 Å²	46	3%	0.031	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	125	-173.8	-56.7	-72.1	0	0	0	111.2	E488 C489 I490 I491 N518 D525 N526	E488-Y520 HydrophobicContact CB-CE2 4.1Å; E488-Y520 HydrophobicContact CG-CE2 3.96Å; C489-Y520 PolarHBondContact O-N 3.48Å; I490-Y520 HydrophobicContact CG1-CD2 3.61Å; I490-Y520 HydrophobicContact CG1-CE2 4.49Å; I490-Y520 HydrophobicContact CG1-CG 4.27Å; I491-Y520 PolarHBondContact N-O 3.45Å; N518-Y520 HydrophobicContact CB-CE2 4.03Å; Y520-D525 HydrophobicContact CD1-CB 3.88Å; Y520-D525 WeakPolarHBondContact CD1-O 3.22Å; Y520-D525 VanDerWaalsContact CE1-O 3.24Å; Y520-D525 WeakPolarHBondContact CE1-O 3.42Å; Y520-N526 HydrophobicContact CD1-CB 4.38Å; Y520-N526 HydrophobicContact CG-CB 4.33Å
521	R	78.5	Confident	72.4	Confident	12 Å²	12	53 Å²	53	5%	0.045	26%	0.263	C	S	.	.			trans	-119.8	-14.9	-167	-56.9	-171.9	-55.8	138	7.5	114.5	Y492 I497 S501 D525 I606	Y492-R521 VanDerWaalsContact CB-C 3.49Å; Y492-R521 WeakPolarHBondContact CB-O 3.34Å; I497-R521 HydrophobicContact CD1-CB 3.99Å; I497-R521 HydrophobicContact CD1-CG 4.06Å; I497-R521 HydrophobicContact CG2-CB 4.25Å; S501-R521 PolarHBondContact O-NH1 2.9Å; S501-R521 PolarHBondContact O-NH2 2.97Å; R521-D525 WeakPolarHBondContact CA-OD2 3.24Å; R521-D525 PolarHBondContact N-OD2 3.25Å; R521-I606 PolarHBondContact NH2-O 2.74Å
522	N	75.1	Confident	69.8	Low	35 Å²	35	60.4 Å²	60.4	19%	0.187	30%	0.3	C	S	.	.	S	Bend	trans	-127	156.8	161.7	-39.8	-85	0	0	0	108.4	I524 D525	N522-I524 PolarHBondContact O-N 3Å; N522-D525 WeakPolarHBondContact CB-OD1 3.42Å; N522-D525 PolarHBondContact N-OD2 2.84Å; N522-D525 PolarHBondContact ND2-OD1 3.44Å; N522-D525 PolarHBondContact ND2-OD2 3.02Å; N522-D525 VanDerWaalsContact O-CB 3.29Å; N522-D525 WeakPolarHBondContact O-CB 3.43Å; N522-D525 PolarHBondContact O-N 2.99Å
523	P	70.6	Confident	67.3	Low	56 Å²	56	66.7 Å²	66.7	36%	0.364	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-53	-41.2	171.9	-26.6	34.1	0	0	0	112.8	Y492 D525 N526 L529	Y492-P523 HydrophobicContact CD1-CG 4.19Å; Y492-P523 HydrophobicContact CD2-CG 3.93Å; Y492-P523 HydrophobicContact CE1-CB 4.18Å; Y492-P523 HydrophobicContact CE1-CG 4.07Å; Y492-P523 HydrophobicContact CE2-CG 3.82Å; Y492-P523 HydrophobicContact CG-CG 4.14Å; P523-D525 PolarHBondContact O-N 3.41Å; P523-D525 VanDerWaalsContact O-N 3.16Å; P523-N526 WeakPolarHBondContact O-CB 3.5Å; P523-N526 PolarHBondContact O-N 3.05Å; P523-L529 HydrophobicContact CB-CD1 3.64Å; P523-L529 WeakPolarHBondContact O-CD1 3.4Å
524	I	69.3	Low	64.7	Low	107 Å²	107	68.3 Å²	68.3	55%	0.549	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-62.5	-22.5	179.9	-53.7	172.5	0	0	0	112.4	N522 N526	N522-I524 PolarHBondContact O-N 3Å; I524-N526 VanDerWaalsContact C-N 3.26Å; I524-N526 PolarHBondContact O-N 3.19Å
525	D	64.1	Low	62.2	Low	7 Å²	7	71.2 Å²	71.2	4%	0.037	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-70.6	-25.7	177.5	-52.6	-4.4	0	0	0	111.7	Y520 R521 N522 P523 P527 I606	Y520-D525 HydrophobicContact CD1-CB 3.88Å; Y520-D525 WeakPolarHBondContact CD1-O 3.22Å; Y520-D525 VanDerWaalsContact CE1-O 3.24Å; Y520-D525 WeakPolarHBondContact CE1-O 3.42Å; R521-D525 WeakPolarHBondContact CA-OD2 3.24Å; R521-D525 PolarHBondContact N-OD2 3.25Å; N522-D525 WeakPolarHBondContact CB-OD1 3.42Å; N522-D525 PolarHBondContact N-OD2 2.84Å; N522-D525 PolarHBondContact ND2-OD1 3.44Å; N522-D525 PolarHBondContact ND2-OD2 3.02Å; N522-D525 VanDerWaalsContact O-CB 3.29Å; N522-D525 WeakPolarHBondContact O-CB 3.43Å; N522-D525 PolarHBondContact O-N 2.99Å; P523-D525 PolarHBondContact O-N 3.41Å; P523-D525 VanDerWaalsContact O-N 3.16Å; D525-P527 WeakPolarHBondContact O-CD 3.21Å; D525-I606 HydrophobicContact CB-CB 4.24Å; D525-I606 VanDerWaalsContact OD1-CB 3.26Å; D525-I606 WeakPolarHBondContact OD1-CB 3.46Å; D525-I606 VanDerWaalsContact OD1-CG2 3.28Å; D525-I606 WeakPolarHBondContact OD1-CG2 3.46Å
526	N	58.7	Low	59.5	Low	12 Å²	12	75.9 Å²	75.9	6%	0.064	39%	0.387	C	S	.	.			trans	-84.1	113.2	-171.6	179.9	-0.8	0	0	0	111.2	I490 Y520 P523 I524 N528 L529	I490-N526 WeakPolarHBondContact CD1-ND2 3.43Å; Y520-N526 HydrophobicContact CD1-CB 4.38Å; Y520-N526 HydrophobicContact CG-CB 4.33Å; P523-N526 WeakPolarHBondContact O-CB 3.5Å; P523-N526 PolarHBondContact O-N 3.05Å; I524-N526 VanDerWaalsContact C-N 3.26Å; I524-N526 PolarHBondContact O-N 3.19Å; N526-N528 PolarHBondContact O-N 3.33Å; N526-N528 WeakPolarHBondContact OD1-CB 3.44Å; N526-N528 PolarHBondContact OD1-N 3.03Å; N526-L529 HydrophobicContact CB-CB 4.4Å; N526-L529 WeakPolarHBondContact O-CB 3.49Å; N526-L529 PolarHBondContact O-N 3.23Å
527	P	58.9	Low	56.5	Low	66 Å²	66	77 Å²	77	43%	0.429	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-68.6	-17.9	-179	30.7	-36.8	0	0	0	113.3	D525	D525-P527 WeakPolarHBondContact O-CD 3.21Å
528	N	59.5	Low	53.7	Low	57 Å²	57	83.5 Å²	83.5	31%	0.305	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-81.2	-17.7	-178.6	-59.4	-34.3	0	0	0	112.3	N526 F530 K531	N526-N528 PolarHBondContact O-N 3.33Å; N526-N528 WeakPolarHBondContact OD1-CB 3.44Å; N526-N528 PolarHBondContact OD1-N 3.03Å; N528-F530 PolarHBondContact O-N 3.08Å; N528-F530 VanDerWaalsContact O-N 3.13Å; N528-K531 PolarHBondContact O-N 2.54Å
529	L	51.7	Low	50.9	Low	72 Å²	72	89 Å²	89	38%	0.377	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-64.5	-20.5	-177.5	-151.5	144.4	0	0	0	113.1	P523 N526	P523-L529 HydrophobicContact CB-CD1 3.64Å; P523-L529 WeakPolarHBondContact O-CD1 3.4Å; N526-L529 HydrophobicContact CB-CB 4.4Å; N526-L529 WeakPolarHBondContact O-CB 3.49Å; N526-L529 PolarHBondContact O-N 3.23Å
530	F	40.4	Very low	48	Very low	159 Å²	159	99.9 Å²	99.9	70%	0.697	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-106.1	1.4	173	-58.7	-72.2	0	0	0	114.1	N528	N528-F530 PolarHBondContact O-N 3.08Å; N528-F530 VanDerWaalsContact O-N 3.13Å
531	K	38.2	Very low	45.5	Very low	154 Å²	154	104.9 Å²	104.9	67%	0.67	52%	0.524	S	S	*	.			trans	-92.6	-1.7	-176.8	-85.1	-172.1	170.6	-176	0	115	N528 K533	N528-K531 PolarHBondContact O-N 2.54Å; K531-K533 PolarHBondContact O-N 3.22Å
532	I	29.8	Very low	43.4	Very low	154 Å²	154	110 Å²	110	79%	0.79	55%	0.549	S	S	*	.			trans	-77.1	60.1	176.6	-45.4	179.6	0	0	0	110.3
533	K	30.8	Very low	41.1	Very low	143 Å²	143	114.3 Å²	114.3	62%	0.622	57%	0.571	S	S	*	*	S	Bend	trans	-147.2	127.8	167.6	-66.9	-166.2	177.7	-177.1	0	109.5	M1 K531	M1-K533 WeakPolarHBondContact SD-CE 3.33Å; M1-K533 PolarHBondContact SD-NZ 3.43Å; K531-K533 PolarHBondContact O-N 3.22Å
534	N	27.1	Very low	39.2	Very low	131 Å²	131	117 Å²	117	70%	0.701	58%	0.582	S	S	*	*			trans	67.7	67.7	169.3	-54.7	9.3	0	0	0	116.6
535	T	29.2	Very low	37.5	Very low	138 Å²	138	116.2 Å²	116.2	85%	0.847	59%	0.586	S	S	*	*			trans	-73.5	-8	155.7	36.6	0	0	0	0	113.4	L537	T535-L537 PolarHBondContact O-N 3.12Å
536	N	29	Very low	35.6	Very low	123 Å²	123	120.4 Å²	120.4	66%	0.658	62%	0.615	S	S	*	*			trans	-66.9	18.8	169.8	-60.6	48.2	0	0	0	114	L538	N536-L538 PolarHBondContact O-N 3.36Å; N536-L538 VanDerWaalsContact O-N 3.14Å
537	L	25.1	Very low	34.3	Very low	150 Å²	150	124.2 Å²	124.2	79%	0.785	64%	0.638	S	S	*	*			trans	-82	67.9	159.9	-74.8	174.5	0	0	0	109.2	T535	T535-L537 PolarHBondContact O-N 3.12Å
538	L	28.6	Very low	32.9	Very low	138 Å²	138	129.1 Å²	129.1	72%	0.723	66%	0.655	S	S	*	*			trans	-50.8	144.9	158.1	-81.1	165.8	0	0	0	109.2	N536 R540	N536-L538 PolarHBondContact O-N 3.36Å; N536-L538 VanDerWaalsContact O-N 3.14Å; L538-R540 PolarHBondContact O-N 3.33Å
539	E	31.6	Very low	31.3	Very low	146 Å²	146	134.6 Å²	134.6	68%	0.682	68%	0.679	S	S	*	*			trans	-61.3	138	-172.8	-63.6	-164.6	157.5	0	0	111.1	N541 E542	E539-N541 PolarHBondContact O-N 3.18Å; E539-E542 PolarHBondContact O-N 3.19Å
540	R	26.2	Very low	30	Very low	229 Å²	229	137.8 Å²	137.8	86%	0.864	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	9	-170.4	-149.6	177.3	-171.1	131.1	1.8	114.8	L538	L538-R540 PolarHBondContact O-N 3.33Å
541	N	33.4	Very low	29.2	Very low	113 Å²	113	134.7 Å²	134.7	60%	0.604	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	-37.2	-177.3	-59.6	-32.3	0	0	0	111.7	E539 N544	E539-N541 PolarHBondContact O-N 3.18Å; N541-N544 PolarHBondContact O-N 3.01Å
542	E	33.2	Very low	28.5	Very low	121 Å²	121	134.3 Å²	134.3	57%	0.565	70%	0.698	S	S	*	*	H	α-helix	trans	-71.4	-35	-176	-63.6	-169.8	143.7	0	0	112.6	E539 N544 S545 C546	E539-E542 PolarHBondContact O-N 3.19Å; E542-N544 PolarHBondContact O-N 3.01Å; E542-S545 WeakPolarHBondContact O-CA 3.28Å; E542-S545 WeakPolarHBondContact O-CB 3.49Å; E542-S545 PolarHBondContact O-N 3.18Å; E542-C546 PolarHBondContact O-N 3.41Å
543	L	27.1	Very low	28.2	Very low	124 Å²	124	136.1 Å²	136.1	65%	0.649	70%	0.7	S	S	*	*	H	α-helix	trans	-62.3	-31	177.8	-140.4	168.2	0	0	0	111.7	S545 C546 V547	L543-S545 VanDerWaalsContact C-N 3.27Å; L543-S545 PolarHBondContact O-N 3.03Å; L543-C546 PolarHBondContact O-N 2.71Å; L543-V547 HydrophobicContact CD2-CG2 4.15Å; L543-V547 WeakPolarHBondContact O-CG2 3.45Å; L543-V547 PolarHBondContact O-N 2.61Å
544	N	31.3	Very low	28	Very low	114 Å²	114	137.5 Å²	137.5	61%	0.61	71%	0.709	S	S	*	*	H	α-helix	trans	-70.4	-21.3	172.7	-73.1	-22	0	0	0	113.3	N541 E542	N541-N544 PolarHBondContact O-N 3.01Å; E542-N544 PolarHBondContact O-N 3.01Å
545	S	32.5	Very low	27.7	Very low	89 Å²	89	138.4 Å²	138.4	62%	0.622	71%	0.714	S	S	*	*	H	α-helix	trans	-74	-46.9	174.2	-162.1	0	0	0	0	110.9	E542 L543 V547 Q548	E542-S545 WeakPolarHBondContact O-CA 3.28Å; E542-S545 WeakPolarHBondContact O-CB 3.49Å; E542-S545 PolarHBondContact O-N 3.18Å; L543-S545 VanDerWaalsContact C-N 3.27Å; L543-S545 PolarHBondContact O-N 3.03Å; S545-V547 VanDerWaalsContact C-N 3.34Å; S545-V547 PolarHBondContact O-N 3.35Å; S545-Q548 PolarHBondContact O-N 2.65Å
546	C	25.3	Very low	27.5	Very low	95 Å²	95	140.9 Å²	140.9	64%	0.642	72%	0.716	S	S	*	*	H	α-helix	trans	-65.3	-33.5	180	-67.3	0	0	0	0	113.5	E542 L543 Q548 H549	E542-C546 PolarHBondContact O-N 3.41Å; L543-C546 PolarHBondContact O-N 2.71Å; C546-Q548 PolarHBondContact O-N 3.18Å; C546-H549 PolarHBondContact O-N 2.92Å; C546-H549 VanDerWaalsContact O-N 3.17Å
547	V	30.3	Very low	27.1	Very low	92 Å²	92	142.1 Å²	142.1	56%	0.558	72%	0.722	S	S	*	*	H	α-helix	trans	-64.3	-25.7	179.8	170.3	0	0	0	0	112.8	L543 S545 H549	L543-V547 HydrophobicContact CD2-CG2 4.15Å; L543-V547 WeakPolarHBondContact O-CG2 3.45Å; L543-V547 PolarHBondContact O-N 2.61Å; S545-V547 VanDerWaalsContact C-N 3.34Å; S545-V547 PolarHBondContact O-N 3.35Å; V547-H549 VanDerWaalsContact C-N 3.27Å; V547-H549 PolarHBondContact O-N 3.24Å
548	Q	30.7	Very low	27.1	Very low	169 Å²	169	145.4 Å²	145.4	79%	0.79	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	-15.3	176.9	-67.3	-154.2	-3.2	0	0	114.2	S545 C546	S545-Q548 PolarHBondContact O-N 2.65Å; C546-Q548 PolarHBondContact O-N 3.18Å
549	H	26.7	Very low	26.9	Very low	172 Å²	172	141.8 Å²	141.8	80%	0.796	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-5.3	-177.8	-132.3	-79.3	0	0	0	114.6	C546 V547 S551	C546-H549 PolarHBondContact O-N 2.92Å; C546-H549 VanDerWaalsContact O-N 3.17Å; V547-H549 VanDerWaalsContact C-N 3.27Å; V547-H549 PolarHBondContact O-N 3.24Å; H549-S551 VanDerWaalsContact C-N 3.28Å; H549-S551 PolarHBondContact O-N 2.89Å
550	L	23.6	Very low	26.4	Very low	140 Å²	140	142.6 Å²	142.6	73%	0.733	74%	0.736	S	S	*	*			trans	-89.4	46.1	175.4	-70.3	173.6	0	0	0	112.8	L552	L550-L552 VanDerWaalsContact C-N 3.3Å; L550-L552 PolarHBondContact O-N 3.07Å
551	S	22.5	Very low	26.4	Very low	94 Å²	94	138.8 Å²	138.8	66%	0.657	73%	0.733	S	S	*	*			trans	-79	75	173.6	63.1	0	0	0	0	111.8	H549 K553	H549-S551 VanDerWaalsContact C-N 3.28Å; H549-S551 PolarHBondContact O-N 2.89Å; S551-K553 PolarHBondContact O-N 3.31Å
552	L	23.5	Very low	25.7	Very low	145 Å²	145	142.2 Å²	142.2	76%	0.759	75%	0.745	S	S	*	*			trans	-64.9	95.2	173.2	-110.3	74.9	0	0	0	110.7	L550 Q554	L550-L552 VanDerWaalsContact C-N 3.3Å; L550-L552 PolarHBondContact O-N 3.07Å; L552-Q554 VanDerWaalsContact C-N 3.32Å; L552-Q554 PolarHBondContact O-N 3.32Å
553	K	23.8	Very low	25.3	Very low	193 Å²	193	144 Å²	144	84%	0.839	76%	0.757	S	S	*	*			trans	-75.5	82.7	167.6	-73.2	-174.9	178	178.5	0	110.4	S551	S551-K553 PolarHBondContact O-N 3.31Å
554	Q	27.6	Very low	24.9	Very low	172 Å²	172	144 Å²	144	80%	0.804	76%	0.762	S	S	*	*			trans	-119.7	110.8	157.8	-73.4	-169.1	-15.2	0	0	109.1	L552	L552-Q554 VanDerWaalsContact C-N 3.32Å; L552-Q554 PolarHBondContact O-N 3.32Å
555	N	20.9	Very low	24.4	Very low	150 Å²	150	143.3 Å²	143.3	80%	0.802	77%	0.772	S	S	*	*			trans	-75.5	138.1	171.5	-48.9	-56.7	0	0	0	108.6
556	Q	25.4	Very low	24.1	Very low	189 Å²	189	146 Å²	146	88%	0.883	79%	0.785	S	S	*	*				-175.8	149	113.3	-98	163.5	14.6	0	0	110.8
557	D	19.9	Very low	23.8	Very low	150 Å²	150	148.7 Å²	148.7	80%	0.802	79%	0.793	S	S	*	*			trans	-62.7	153.1	174	-57.3	-93.9	0	0	0	112.3
558	F	26	Very low	23.4	Very low	218 Å²	218	150.3 Å²	150.3	96%	0.956	81%	0.808	S	S	*	*				-168.9	136.4	121.5	-109.4	-68.3	0	0	0	113.2
559	G	23.7	Very low	23.1	Very low	63 Å²	63	146 Å²	146	65%	0.649	81%	0.809	S	S	*	*			trans	76.6	86.9	143.4	0	0	0	0	0	118.8
560	N	20.3	Very low	22.8	Very low	163 Å²	163	144.4 Å²	144.4	87%	0.872	81%	0.811	S	S	*	*			trans	-59.9	138	153.7	-64.4	-32.2	0	0	0	110
561	N	26.1	Very low	22.7	Very low	149 Å²	149	143 Å²	143	80%	0.797	81%	0.813	S	S	*	*			trans	-148.2	96.9	162.6	-95.7	-46.2	0	0	0	110.2
562	E	19.7	Very low	22.8	Very low	185 Å²	185	144.5 Å²	144.5	86%	0.864	82%	0.819	S	S	*	*			trans	-75.6	124.7	165.2	-60.6	-178.4	127.4	0	0	108.9
563	I	23.6	Very low	22.7	Very low	159 Å²	159	147.3 Å²	147.3	82%	0.815	83%	0.825	S	S	*	*			trans	-126.5	114.9	166.4	-60.2	-176.9	0	0	0	108.1
564	T	20.3	Very low	22.8	Very low	123 Å²	123	146.1 Å²	146.1	76%	0.755	83%	0.828	S	S	*	*			trans	-97	165	-171.6	41.9	0	0	0	0	113.1
565	A	19.9	Very low	22.6	Very low	99 Å²	99	143.2 Å²	143.2	82%	0.818	83%	0.826	S	S	*	*			trans	-44.9	140.2	-172.1	0	0	0	0	0	117
566	V	25.5	Very low	22.8	Very low	147 Å²	147	144.7 Å²	144.7	89%	0.891	83%	0.833	S	S	*	*			trans	-123.8	145.1	154.3	-177.9	0	0	0	0	108.7
567	N	20.1	Very low	22.6	Very low	151 Å²	151	140.9 Å²	140.9	81%	0.807	83%	0.828	S	S	*	*			trans	-116.4	173.1	-165.9	-131.6	-23.2	0	0	0	111.7
568	S	21.5	Very low	22.9	Very low	125 Å²	125	143.1 Å²	143.1	87%	0.874	83%	0.833	S	S	*	*			trans	76.1	148.7	167.1	81.9	0	0	0	0	118.7
569	G	25.2	Very low	22.8	Very low	79 Å²	79	141.6 Å²	141.6	81%	0.814	83%	0.826	S	S	*	*			trans	157	77.4	-177.4	0	0	0	0	0	113.1
570	T	19.9	Very low	22.9	Very low	138 Å²	138	146.1 Å²	146.1	85%	0.847	84%	0.835	S	S	*	*			trans	-95.7	135.9	-177.8	51.3	0	0	0	0	113.2
571	S	22.1	Very low	23.1	Very low	111 Å²	111	147.1 Å²	147.1	78%	0.776	84%	0.838	S	S	*	*			trans	-170.4	147.3	145.1	51.9	0	0	0	0	116.3
572	T	24.4	Very low	22.9	Very low	125 Å²	125	145.4 Å²	145.4	77%	0.767	84%	0.838	S	S	*	*			trans	33.9	108.8	148.1	53.6	0	0	0	0	122.4
573	K	21.5	Very low	23.3	Very low	205 Å²	205	146.3 Å²	146.3	89%	0.891	84%	0.839	S	S	*	*				13.8	124.7	125.7	-59.2	175.5	-178.9	176.4	0	117.6
574	N	25.8	Very low	23.2	Very low	168 Å²	168	149.9 Å²	149.9	90%	0.898	84%	0.844	S	S	*	*			trans	-147.3	142	135.2	-135.9	-20.2	0	0	0	110.8
575	S	21.7	Very low	23.3	Very low	110 Å²	110	153.6 Å²	153.6	77%	0.769	85%	0.85	S	S	*	*			trans	-115	101.2	-168.4	55.9	0	0	0	0	112.3
576	L	25.5	Very low	23.5	Very low	182 Å²	182	158.7 Å²	158.7	95%	0.953	85%	0.854	S	S	*	*			trans	-119.5	108.7	168.1	-85.3	168.1	0	0	0	110.3
577	S	22.2	Very low	23.6	Very low	109 Å²	109	158.7 Å²	158.7	76%	0.762	85%	0.853	S	S	*	*			trans	-91.9	113	178	55.9	0	0	0	0	111.1
578	H	25.6	Very low	23.6	Very low	196 Å²	196	158.9 Å²	158.9	91%	0.907	85%	0.854	S	S	*	*			trans	-142.6	142.2	146.7	-111	-85	0	0	0	111
579	K	24.7	Very low	23.8	Very low	187 Å²	187	160.2 Å²	160.2	81%	0.813	85%	0.851	S	S	*	*			trans	-89.6	152.9	-170	-60.2	165.6	-177.3	170.4	0	110.7
580	N	25.4	Very low	23.8	Very low	158 Å²	158	165.4 Å²	165.4	85%	0.845	85%	0.851	S	S	*	*			trans	140.7	12.7	145.4	-67.5	-13.1	0	0	0	117.5
581	I	23.4	Very low	24.1	Very low	183 Å²	183	166.5 Å²	166.5	94%	0.938	85%	0.852	S	S	*	*			trans	-100.7	78.8	165.8	-52.7	-178.3	0	0	0	110.2
582	S	23.3	Very low	24.3	Very low	114 Å²	114	171.3 Å²	171.3	80%	0.797	86%	0.859	S	S	*	*			trans	-154.4	89.2	170	-172.5	0	0	0	0	111.2
583	K	26.7	Very low	24.6	Very low	204 Å²	204	173.4 Å²	173.4	89%	0.887	86%	0.86	S	S	*	*	S	Bend	trans	-164.6	-20.5	163.9	-116.1	167.4	-174.4	179.4	0	115.3
584	Y	21.9	Very low	24.8	Very low	234 Å²	234	167.5 Å²	167.5	92%	0.918	86%	0.858	S	S	*	*	S	Bend	trans	-107.4	72.1	178.3	-74.6	-74.6	0	0	0	113.2
585	K	22.6	Very low	24.8	Very low	201 Å²	201	166.4 Å²	166.4	87%	0.874	85%	0.85	S	S	*	*			trans	-166.8	91.6	161.8	-119.8	173.2	-177.3	175.9	0	111.8
586	K	24.4	Very low	25	Very low	206 Å²	206	165.1 Å²	165.1	90%	0.896	84%	0.841	S	S	*	*			trans	163.6	57.3	155.2	-94.8	-179.6	178.3	-172.9	0	112.9
587	V	26.6	Very low	25	Very low	146 Å²	146	167.1 Å²	167.1	89%	0.885	84%	0.837	S	S	*	*			trans	-140.7	58.7	162.9	-167.6	0	0	0	0	109
588	L	22.2	Very low	25.1	Very low	156 Å²	156	168.1 Å²	168.1	82%	0.817	83%	0.834	S	S	*	*			trans	-164.9	69.6	179.9	-119.7	156.8	0	0	0	111.4
589	N	23.9	Very low	25.2	Very low	152 Å²	152	162.9 Å²	162.9	81%	0.813	82%	0.819	S	S	*	*	S	Bend	trans	167.8	148.6	138.1	-94.3	-45.8	0	0	0	112.3
590	K	25.6	Very low	25.3	Very low	188 Å²	188	158.7 Å²	158.7	82%	0.817	81%	0.814	S	S	*	*			trans	62.8	96.1	174.1	-56.9	179.3	-176.5	-177.8	0	115.6
591	D	27.2	Very low	25.5	Very low	161 Å²	161	158 Å²	158	86%	0.861	81%	0.807	S	S	*	*				-130.1	119.2	120.2	-83.3	-48.4	0	0	0	107.7
592	K	26.3	Very low	25.9	Very low	212 Å²	212	157.9 Å²	157.9	92%	0.922	80%	0.8	S	S	*	*			trans	-107.4	66.3	175.9	-85.9	-166.7	173	-171.1	0	108.7
593	E	29.9	Very low	26.2	Very low	169 Å²	169	154.6 Å²	154.6	79%	0.79	78%	0.776	S	S	*	*			trans	-107.9	126.6	169.5	-65.7	-156.1	149.5	0	0	110.3	I595	E593-I595 PolarHBondContact O-N 2.96Å
594	G	26	Very low	27	Very low	82 Å²	82	148.9 Å²	148.9	85%	0.845	75%	0.754	S	S	*	*			trans	-74.4	92.6	179.8	0	0	0	0	0	110.6	S596	G594-S596 VanDerWaalsContact C-N 3.27Å; G594-S596 PolarHBondContact O-N 2.96Å
595	I	26.6	Very low	28	Very low	145 Å²	145	140 Å²	140	74%	0.744	72%	0.724	S	S	*	*			trans	-66.3	90.3	173.7	-56.1	179.2	0	0	0	108.8	E593 Y597	E593-I595 PolarHBondContact O-N 2.96Å; I595-Y597 PolarHBondContact O-N 3Å
596	S	24.1	Very low	29	Very low	82 Å²	82	133.6 Å²	133.6	57%	0.573	70%	0.699	S	S	*	*			trans	-56.5	121.8	169.6	179.2	0	0	0	0	109.2	G594 N598	G594-S596 VanDerWaalsContact C-N 3.27Å; G594-S596 PolarHBondContact O-N 2.96Å; S596-N598 PolarHBondContact O-N 2.94Å; S596-N598 PolarHBondContact OG-ND2 2.86Å
597	Y	26.1	Very low	29.3	Very low	225 Å²	225	132.6 Å²	132.6	88%	0.882	69%	0.689	S	S	*	*			trans	-72	54.3	175.4	-74.5	-80.4	0	0	0	112.3	I595 S599	I595-Y597 PolarHBondContact O-N 3Å; Y597-S599 PolarHBondContact O-N 2.94Å
598	N	24.9	Very low	29.6	Very low	130 Å²	130	132.6 Å²	132.6	70%	0.695	68%	0.675	S	S	*	*			trans	-65.8	83.7	162.3	-83.1	-51.2	0	0	0	108.5	S596 S600	S596-N598 PolarHBondContact O-N 2.94Å; S596-N598 PolarHBondContact OG-ND2 2.86Å; N598-S600 PolarHBondContact O-N 2.99Å
599	S	28.3	Very low	30.2	Very low	85 Å²	85	134 Å²	134	59%	0.594	67%	0.674	S	S	*	*			trans	-73.5	65.2	175.4	-165	0	0	0	0	111.2	Y597 M601	Y597-S599 PolarHBondContact O-N 2.94Å; S599-M601 PolarHBondContact O-N 3.24Å
600	S	26.3	Very low	30.8	Very low	100 Å²	100	131.6 Å²	131.6	70%	0.699	66%	0.661	S	S	*	*			trans	-84	50.3	151.7	55.9	0	0	0	0	109.2	N598 K602	N598-S600 PolarHBondContact O-N 2.99Å; S600-K602 PolarHBondContact O-N 3.48Å
601	M	29.2	Very low	31.5	Very low	143 Å²	143	126.6 Å²	126.6	70%	0.704	64%	0.643	S	S	*	*			trans	-57	105.1	170.3	-81.4	-66.7	168.9	0	0	108.3	S599	S599-M601 PolarHBondContact O-N 3.24Å
602	K	32.9	Very low	32.2	Very low	180 Å²	180	127 Å²	127	78%	0.783	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-62.3	137.4	171.6	-67.7	179.5	179.6	176.3	0	107.2	S600 I604	S600-K602 PolarHBondContact O-N 3.48Å; K602-I604 PolarHBondContact O-N 3.28Å; K602-I604 VanDerWaalsContact O-N 3.15Å
603	P	29.5	Very low	32.8	Very low	45 Å²	45	121 Å²	121	29%	0.292	62%	0.62	S	S	.	*	P	Polyproline II helix	trans	-59.7	123.3	-175.1	22.2	-32.5	0	0	0	110.8	I512 N518	I512-P603 HydrophobicContact CG2-CB 3.56Å; I512-P603 HydrophobicContact CG2-CG 3.41Å; I512-P603 VanDerWaalsContact CG2-CG 3.41Å; N518-P603 WeakPolarHBondContact OD1-CA 3.34Å
604	I	42.9	Very low	33.4	Very low	85 Å²	85	115.1 Å²	115.1	44%	0.436	60%	0.597	S	S	.	*	P	Polyproline II helix	trans	-83.7	123	-174.3	-62.9	178.8	0	0	0	108.6	K602 I606	K602-I604 PolarHBondContact O-N 3.28Å; K602-I604 VanDerWaalsContact O-N 3.15Å; I604-I606 HydrophobicContact CG2-CD1 3.89Å; I604-I606 HydrophobicContact CG2-CG1 4.05Å
605	V	41.9	Very low	34.2	Very low	47 Å²	47	114 Å²	114	29%	0.285	57%	0.571	S	S	.	*			trans	-125.4	109.4	176.5	171.1	0	0	0	0	108.8	I503 I512	I503-V605 HydrophobicContact CD1-CB 4.33Å; I503-V605 HydrophobicContact CD1-CG1 3.62Å; I503-V605 HydrophobicContact CD1-CG2 3.7Å; I503-V605 HydrophobicContact CG1-CG1 4.18Å; I512-V605 HydrophobicContact CD1-CG2 4.07Å
606	I	43.4	Very low	34.9	Very low	67 Å²	67	113.4 Å²	113.4	34%	0.344	57%	0.57	S	S	.	*			trans	-101.4	164.5	175.2	-67.2	163.5	0	0	0	108.9	R521 D525 I604	R521-I606 PolarHBondContact NH2-O 2.74Å; D525-I606 HydrophobicContact CB-CB 4.24Å; D525-I606 VanDerWaalsContact OD1-CB 3.26Å; D525-I606 WeakPolarHBondContact OD1-CB 3.46Å; D525-I606 VanDerWaalsContact OD1-CG2 3.28Å; D525-I606 WeakPolarHBondContact OD1-CG2 3.46Å; I604-I606 HydrophobicContact CG2-CD1 3.89Å; I604-I606 HydrophobicContact CG2-CG1 4.05Å
607	R	32.5	Very low	35.6	Very low	184 Å²	184	117.6 Å²	117.6	69%	0.694	59%	0.585	S	S	*	*			trans	-146.4	129.2	-160.3	-63.1	177.7	177.2	174.5	-1.2	112.3
608	Y	33	Very low	36.1	Very low	147 Å²	147	108.2 Å²	108.2	58%	0.576	56%	0.557	S	S	*	*			trans	-129.9	172	161.1	-85.5	-84.5	0	0	0	111.1	S501	S501-Y608 WeakPolarHBondContact CB-O 3.24Å
609	K	34.7	Very low	36.6	Very low	185 Å²	185	106.2 Å²	106.2	80%	0.804	55%	0.551	S	S	*	*			trans	-105.6	137.6	172.2	-73	-178.7	177.1	178.5	0	109
610	L	36.4	Very low	37.2	Very low	101 Å²	101	111.9 Å²	111.9	53%	0.529	57%	0.565	S	S	.	*			trans	-92.4	165.2	167.3	-71.5	163.9	0	0	0	111	S498	S498-L610 VanDerWaalsContact CA-CD1 3.49Å; S498-L610 VanDerWaalsContact O-CD1 3.24Å; S498-L610 WeakPolarHBondContact O-CD1 3.48Å
611	D	40.6	Very low	37.7	Very low	83 Å²	83	112.3 Å²	112.3	44%	0.444	56%	0.557	S	S	.	*			trans	-83.2	164	179.5	67.3	-47.6	0	0	0	112.2	P613 S614 L615	D611-P613 WeakPolarHBondContact OD2-CD 3.5Å; D611-S614 VanDerWaalsContact OD1-CB 3.32Å; D611-S614 WeakPolarHBondContact OD1-CB 3.35Å; D611-S614 PolarHBondContact OD1-OG 3.42Å; D611-L615 WeakPolarHBondContact O-CG 3.44Å
612	K	40.3	Very low	38.5	Very low	169 Å²	169	111.9 Å²	111.9	74%	0.735	56%	0.556	S	S	*	*	S	Bend	trans	-65.1	-46.3	-174.7	-85.6	-168.2	171.3	-166.9	0	115.1	S614 L615	K612-S614 PolarHBondContact O-N 3.32Å; K612-L615 HydrophobicContact CG-CD1 4.34Å; K612-L615 VanDerWaalsContact O-CB 3.29Å; K612-L615 WeakPolarHBondContact O-CB 3.18Å; K612-L615 WeakPolarHBondContact O-CG 3.47Å; K612-L615 PolarHBondContact O-N 3.19Å
613	P	38.6	Very low	39	Very low	87 Å²	87	113.1 Å²	113.1	57%	0.565	56%	0.562	S	S	*	*	H	α-helix	trans	-53.2	-38.4	179.9	-28.8	34.9	0	0	0	113.7	D611 L615 D616	D611-P613 WeakPolarHBondContact OD2-CD 3.5Å; P613-L615 PolarHBondContact O-N 3.14Å; P613-L615 VanDerWaalsContact O-N 3.12Å; P613-D616 PolarHBondContact O-N 2.86Å
614	S	42.8	Very low	40	Very low	46 Å²	46	112.1 Å²	112.1	32%	0.322	56%	0.555	S	S	.	*	H	α-helix	trans	-65.8	-7.6	177.5	-57.7	0	0	0	0	115.3	S498 D611 K612	S498-S614 PolarHBondContact OG-O 3.41Å; D611-S614 VanDerWaalsContact OD1-CB 3.32Å; D611-S614 WeakPolarHBondContact OD1-CB 3.35Å; D611-S614 PolarHBondContact OD1-OG 3.42Å; K612-S614 PolarHBondContact O-N 3.32Å
615	L	43.1	Very low	41.1	Very low	57 Å²	57	112 Å²	112	30%	0.298	56%	0.556	S	S	.	*	H	α-helix	trans	-92.4	-34.3	-179.4	-49.9	178.4	0	0	0	113.1	S498 K499 D611 K612 P613	S498-L615 VanDerWaalsContact O-CD2 3.32Å; S498-L615 WeakPolarHBondContact O-CD2 3.4Å; K499-L615 WeakPolarHBondContact CE-O 3.28Å; K499-L615 PolarHBondContact NZ-O 2.89Å; D611-L615 WeakPolarHBondContact O-CG 3.44Å; K612-L615 HydrophobicContact CG-CD1 4.34Å; K612-L615 VanDerWaalsContact O-CB 3.29Å; K612-L615 WeakPolarHBondContact O-CB 3.18Å; K612-L615 WeakPolarHBondContact O-CG 3.47Å; K612-L615 PolarHBondContact O-N 3.19Å; P613-L615 PolarHBondContact O-N 3.14Å; P613-L615 VanDerWaalsContact O-N 3.12Å
616	D	42.7	Very low	41.9	Very low	134 Å²	134	110.4 Å²	110.4	72%	0.717	55%	0.546	S	S	*	.	H	α-helix	trans	-87.4	-23.8	-165.1	-69.4	-34.4	0	0	0	113.4	P613 G618	P613-D616 PolarHBondContact O-N 2.86Å; D616-G618 PolarHBondContact O-N 2.66Å
617	L	38.6	Very low	42.9	Very low	170 Å²	170	111.6 Å²	111.6	89%	0.89	55%	0.553	S	S	*	*	S	Bend	trans	-74.9	36.5	-174.7	-80.8	167.1	0	0	0	116
618	G	36.8	Very low	44.6	Very low	28 Å²	28	108.4 Å²	108.4	29%	0.289	55%	0.546	S	S	.	.	S	Bend	trans	-160.8	170.9	177.1	0	0	0	0	0	114.4	K499 D616	K499-G618 PolarHBondContact NZ-O 3.39Å; D616-G618 PolarHBondContact O-N 2.66Å
619	P	34.8	Very low	46	Very low	88 Å²	88	102.2 Å²	102.2	57%	0.571	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-57.3	155.4	-175.2	22.3	-33.3	0	0	0	113.6	K499 M621	K499-P619 PolarHBondContact NZ-O 3.14Å; P619-M621 PolarHBondContact O-N 3.27Å
620	K	39.7	Very low	47.3	Very low	204 Å²	204	93.5 Å²	93.5	89%	0.887	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-71.6	122.8	175	-66.9	174.4	-177.9	169.7	0	108.8	I622	K620-I622 PolarHBondContact O-N 2.88Å
621	M	38.2	Very low	48.7	Very low	109 Å²	109	91.5 Å²	91.5	54%	0.537	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-64.1	123.7	178	-67.8	177.6	74.3	0	0	110.8	E474 P619 K623	E474-M621 HydrophobicContact CG-CE 4.42Å; P619-M621 PolarHBondContact O-N 3.27Å; M621-K623 PolarHBondContact O-N 3.14Å
622	I	44.8	Very low	49.9	Very low	133 Å²	133	90.7 Å²	90.7	68%	0.682	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-66.4	127.6	161.8	-63.3	173.9	0	0	0	107.1	L378 K620 C624	L378-I622 HydrophobicContact CD1-CG2 4.04Å; K620-I622 PolarHBondContact O-N 2.88Å; I622-C624 PolarHBondContact O-N 3.14Å
623	K	44.2	Very low	50.6	Low	206 Å²	206	83.2 Å²	83.2	90%	0.896	44%	0.436	S	S	*	.			trans	-71.8	93.8	178.2	-82.1	-175.7	176.8	174.8	0	110.7	M621 N625	M621-K623 PolarHBondContact O-N 3.14Å; K623-N625 PolarHBondContact O-N 2.93Å
624	C	51	Low	51.7	Low	24 Å²	24	84.4 Å²	84.4	16%	0.162	43%	0.432	C	S	.	.			trans	-56.2	120.4	172.2	-173.1	0	0	0	0	111.5	L378 E475 I622 V626 I629	L378-C624 HydrophobicContact CD2-CB 4.28Å; L378-C624 VanDerWaalsContact CD2-SG 3.57Å; E475-C624 WeakPolarHBondContact OE1-CB 3.25Å; E475-C624 PolarHBondContact OE1-SG 2.99Å; I622-C624 PolarHBondContact O-N 3.14Å; C624-V626 VanDerWaalsContact C-N 3.3Å; C624-V626 PolarHBondContact O-N 2.9Å; C624-I629 WeakPolarHBondContact SG-CD1 3.28Å
625	N	65.2	Low	52.6	Low	83 Å²	83	88.7 Å²	88.7	44%	0.444	45%	0.445	S	S	.	.			trans	-81.4	78.7	176	-172.3	-2.9	0	0	0	110.5	K623 N627 Q628 I629	K623-N625 PolarHBondContact O-N 2.93Å; N625-N627 PolarHBondContact O-N 2.69Å; N625-N627 VanDerWaalsContact O-N 3.12Å; N625-Q628 HydrophobicContact CB-CB 4Å; N625-Q628 VanDerWaalsContact CG-CB 3.5Å; N625-Q628 WeakPolarHBondContact ND2-CB 3.39Å; N625-Q628 PolarHBondContact ND2-OE1 3.37Å; N625-Q628 WeakPolarHBondContact O-CB 3.47Å; N625-Q628 PolarHBondContact O-N 2.81Å; N625-Q628 PolarHBondContact OD1-N 3.02Å; N625-I629 PolarHBondContact O-N 3.07Å; N625-I629 VanDerWaalsContact O-N 3.13Å
626	V	58.7	Low	52.9	Low	13 Å²	13	89 Å²	89	8%	0.079	45%	0.447	C	S	.	.	H	α-helix	trans	-52.2	-35	-177.8	177.3	0	0	0	0	112.5	Q505 L506 R509 C624 L630	Q505-V626 HydrophobicContact CB-CG2 4.13Å; Q505-V626 HydrophobicContact CG-CB 4.44Å; Q505-V626 HydrophobicContact CG-CG1 4.33Å; Q505-V626 HydrophobicContact CG-CG2 4.04Å; L506-V626 HydrophobicContact CB-CG2 4.05Å; L506-V626 HydrophobicContact CD1-CB 4.44Å; L506-V626 HydrophobicContact CD1-CG1 4.05Å; L506-V626 HydrophobicContact CD1-CG2 4.18Å; R509-V626 HydrophobicContact CB-CG1 4.48Å; C624-V626 VanDerWaalsContact C-N 3.3Å; C624-V626 PolarHBondContact O-N 2.9Å; V626-L630 HydrophobicContact CG1-CD1 3.59Å; V626-L630 VanDerWaalsContact O-CD1 3.23Å; V626-L630 WeakPolarHBondContact O-CD1 3.47Å; V626-L630 PolarHBondContact O-N 3.4Å; V626-L630 VanDerWaalsContact O-N 3.11Å
627	N	65.1	Low	53.2	Low	92 Å²	92	85.4 Å²	85.4	49%	0.492	43%	0.428	S	S	.	.	H	α-helix	trans	-67.1	-48.9	176.9	-77.2	-24	0	0	0	111.9	R509 N625 I629 L630 D631	R509-N627 PolarHBondContact NH1-OD1 2.88Å; N625-N627 PolarHBondContact O-N 2.69Å; N625-N627 VanDerWaalsContact O-N 3.12Å; N627-I629 VanDerWaalsContact C-N 3.31Å; N627-I629 PolarHBondContact O-N 2.96Å; N627-L630 PolarHBondContact O-N 3.22Å; N627-D631 WeakPolarHBondContact O-CB 3.31Å; N627-D631 VanDerWaalsContact O-CG 3.28Å; N627-D631 PolarHBondContact O-N 3.05Å
628	Q	67.4	Low	53.7	Low	117 Å²	117	83.3 Å²	83.3	55%	0.547	41%	0.413	S	S	.	.	H	α-helix	trans	-58.6	-42.4	178.1	176.8	177.8	-3.7	0	0	112.1	N625 D631 E632	N625-Q628 HydrophobicContact CB-CB 4Å; N625-Q628 VanDerWaalsContact CG-CB 3.5Å; N625-Q628 WeakPolarHBondContact ND2-CB 3.39Å; N625-Q628 PolarHBondContact ND2-OE1 3.37Å; N625-Q628 WeakPolarHBondContact O-CB 3.47Å; N625-Q628 PolarHBondContact O-N 2.81Å; N625-Q628 PolarHBondContact OD1-N 3.02Å; Q628-D631 PolarHBondContact O-N 3.36Å; Q628-E632 PolarHBondContact O-N 2.76Å
629	I	62.4	Low	54.1	Low	17 Å²	17	85.3 Å²	85.3	9%	0.087	42%	0.42	C	S	.	.	H	α-helix	trans	-62.7	-48.7	177.7	-69.7	160.4	0	0	0	111.2	L378 L381 F385 L506 C624 N625 N627 D631 E632 M633	L378-I629 HydrophobicContact CD2-CD1 4.13Å; L381-I629 HydrophobicContact CD1-CB 4.47Å; L381-I629 HydrophobicContact CD1-CD1 3.53Å; L381-I629 HydrophobicContact CD1-CG1 3.75Å; L381-I629 HydrophobicContact CD1-CG2 3.86Å; F385-I629 HydrophobicContact CE1-CG2 4.48Å; F385-I629 HydrophobicContact CZ-CG2 4.21Å; L506-I629 HydrophobicContact CD1-CD1 4.46Å; L506-I629 HydrophobicContact CD1-CG2 4.21Å; L506-I629 HydrophobicContact CD2-CD1 4.49Å; C624-I629 WeakPolarHBondContact SG-CD1 3.28Å; N625-I629 PolarHBondContact O-N 3.07Å; N625-I629 VanDerWaalsContact O-N 3.13Å; N627-I629 VanDerWaalsContact C-N 3.31Å; N627-I629 PolarHBondContact O-N 2.96Å; I629-D631 VanDerWaalsContact C-N 3.35Å; I629-D631 PolarHBondContact O-N 2.87Å; I629-E632 PolarHBondContact O-N 3.35Å; I629-M633 WeakPolarHBondContact O-CG 3.25Å; I629-M633 PolarHBondContact O-N 2.94Å
630	L	63	Low	54.2	Low	3 Å²	3	86 Å²	86	2%	0.016	42%	0.419	C	S	.	.	H	α-helix	trans	-74.5	-22.9	-180	-86.8	117.1	0	0	0	113.9	L506 R509 L510 V626 N627 M633 K634	L506-L630 HydrophobicContact CD1-CD1 4.19Å; R509-L630 HydrophobicContact CB-CD1 4.33Å; R509-L630 HydrophobicContact CG-CD1 3.82Å; R509-L630 HydrophobicContact CG-CD2 3.95Å; R509-L630 VanDerWaalsContact NH2-CB 3.31Å; L510-L630 HydrophobicContact CD2-CD1 3.85Å; L510-L630 HydrophobicContact CD2-CD2 3.76Å; L510-L630 HydrophobicContact CD2-CG 3.84Å; L510-L630 HydrophobicContact CG-CD1 4.47Å; V626-L630 HydrophobicContact CG1-CD1 3.59Å; V626-L630 VanDerWaalsContact O-CD1 3.23Å; V626-L630 WeakPolarHBondContact O-CD1 3.47Å; V626-L630 PolarHBondContact O-N 3.4Å; V626-L630 VanDerWaalsContact O-N 3.11Å; N627-L630 PolarHBondContact O-N 3.22Å; L630-M633 HydrophobicContact CD2-SD 4.11Å; L630-M633 HydrophobicContact CG-SD 3.87Å; L630-M633 WeakPolarHBondContact O-CB 3.5Å; L630-M633 PolarHBondContact O-N 2.97Å; L630-K634 WeakPolarHBondContact O-CG 3.39Å; L630-K634 PolarHBondContact O-N 3.23Å
631	D	65.8	Low	54.1	Low	59 Å²	59	81.9 Å²	81.9	32%	0.316	41%	0.406	S	S	.	.	H	α-helix	trans	-80.1	-26.2	170.8	-67.3	-26.1	0	0	0	111.4	N627 Q628 I629 K634 K635	N627-D631 WeakPolarHBondContact O-CB 3.31Å; N627-D631 VanDerWaalsContact O-CG 3.28Å; N627-D631 PolarHBondContact O-N 3.05Å; Q628-D631 PolarHBondContact O-N 3.36Å; I629-D631 VanDerWaalsContact C-N 3.35Å; I629-D631 PolarHBondContact O-N 2.87Å; D631-K634 WeakPolarHBondContact OD1-CD 3.39Å; D631-K634 WeakPolarHBondContact OD1-CE 3.44Å; D631-K634 IonicContact OD1-NZ 2.69Å; D631-K634 PolarHBondContact OD1-NZ 3.32Å; D631-K635 WeakPolarHBondContact O-CB 3.48Å; D631-K635 WeakPolarHBondContact O-CG 3.26Å; D631-K635 PolarHBondContact O-N 3.09Å
632	E	64.1	Low	53.8	Low	65 Å²	65	80.9 Å²	80.9	30%	0.304	41%	0.405	S	S	.	.	H	α-helix	trans	-66.4	-39.9	161.6	-75.3	-157	133.9	0	0	112.1	K382 F385 Q628 I629 K634 K635 L636	K382-E632 WeakPolarHBondContact CE-OE1 3.47Å; K382-E632 WeakPolarHBondContact CE-OE2 3.35Å; K382-E632 IonicContact NZ-OE1 3.34Å; K382-E632 PolarHBondContact NZ-OE1 2.91Å; K382-E632 IonicContact NZ-OE2 3.52Å; K382-E632 PolarHBondContact NZ-OE2 2.88Å; F385-E632 HydrophobicContact CE2-CB 4.41Å; Q628-E632 PolarHBondContact O-N 2.76Å; I629-E632 PolarHBondContact O-N 3.35Å; E632-K634 PolarHBondContact O-N 3.21Å; E632-K635 PolarHBondContact O-N 2.86Å; E632-L636 WeakPolarHBondContact O-CB 3.35Å; E632-L636 WeakPolarHBondContact O-CG 3.33Å; E632-L636 PolarHBondContact O-N 3.37Å
633	M	55.3	Low	53	Low	13 Å²	13	81.6 Å²	81.6	6%	0.064	41%	0.411	C	S	.	.	H	α-helix	trans	-58	-47.6	171.2	-65.9	175.8	93.1	0	0	111.5	F385 I388 L510 I629 L630 L636 N637	F385-M633 HydrophobicContact CD1-CE 3.82Å; F385-M633 HydrophobicContact CD1-CG 3.5Å; F385-M633 VanDerWaalsContact CD1-CG 3.5Å; F385-M633 HydrophobicContact CD1-SD 4.14Å; F385-M633 HydrophobicContact CD2-CG 4.16Å; F385-M633 HydrophobicContact CE1-CE 4.15Å; F385-M633 HydrophobicContact CE1-CG 3.35Å; F385-M633 HydrophobicContact CE1-SD 3.92Å; F385-M633 HydrophobicContact CE2-CG 4.03Å; F385-M633 HydrophobicContact CG-CG 3.91Å; F385-M633 HydrophobicContact CZ-CG 3.63Å; I388-M633 HydrophobicContact CD1-CE 4.2Å; I388-M633 HydrophobicContact CG2-CE 4.35Å; L510-M633 HydrophobicContact CD2-CE 3.96Å; L510-M633 HydrophobicContact CD2-SD 3.58Å; L510-M633 VanDerWaalsContact CD2-SD 3.58Å; I629-M633 WeakPolarHBondContact O-CG 3.25Å; I629-M633 PolarHBondContact O-N 2.94Å; L630-M633 HydrophobicContact CD2-SD 4.11Å; L630-M633 HydrophobicContact CG-SD 3.87Å; L630-M633 WeakPolarHBondContact O-CB 3.5Å; L630-M633 PolarHBondContact O-N 2.97Å; M633-L636 PolarHBondContact O-N 3.34Å; M633-N637 WeakPolarHBondContact O-CB 3.47Å; M633-N637 PolarHBondContact O-N 2.7Å; M633-N637 PolarHBondContact O-OD1 2.76Å
634	K	61.7	Low	52	Low	111 Å²	111	76.7 Å²	76.7	48%	0.483	40%	0.402	S	S	.	.	H	α-helix	trans	-61.4	-45.5	176.5	-71.6	174	-165	160.8	0	112.2	L630 D631 E632 L636 N637 Q638	L630-K634 WeakPolarHBondContact O-CG 3.39Å; L630-K634 PolarHBondContact O-N 3.23Å; D631-K634 WeakPolarHBondContact OD1-CD 3.39Å; D631-K634 WeakPolarHBondContact OD1-CE 3.44Å; D631-K634 IonicContact OD1-NZ 2.69Å; D631-K634 PolarHBondContact OD1-NZ 3.32Å; E632-K634 PolarHBondContact O-N 3.21Å; K634-L636 VanDerWaalsContact C-N 3.35Å; K634-L636 PolarHBondContact O-N 3.46Å; K634-N637 PolarHBondContact O-N 3.5Å; K634-Q638 WeakPolarHBondContact O-CG 3.39Å; K634-Q638 PolarHBondContact O-N 2.84Å
635	K	61.9	Low	50.8	Low	137 Å²	137	79.9 Å²	79.9	60%	0.596	43%	0.425	S	S	*	.	H	α-helix	trans	-61.5	-43	178.9	-77.4	171.3	-179.2	-177.6	0	111.4	D631 E632 Q638 T639	D631-K635 WeakPolarHBondContact O-CB 3.48Å; D631-K635 WeakPolarHBondContact O-CG 3.26Å; D631-K635 PolarHBondContact O-N 3.09Å; E632-K635 PolarHBondContact O-N 2.86Å; K635-Q638 WeakPolarHBondContact O-CB 3.43Å; K635-Q638 PolarHBondContact O-N 3.34Å; K635-Q638 VanDerWaalsContact O-N 3.16Å; K635-T639 PolarHBondContact O-N 3.06Å; K635-T639 PolarHBondContact O-OG1 2.94Å
636	L	50.6	Low	49	Very low	62 Å²	62	81.4 Å²	81.4	33%	0.325	44%	0.439	S	S	.	.	H	α-helix	trans	-70	-35.1	178.3	-73.4	165	0	0	0	112.5	F385 E632 M633 K634 Q638 T639 N640	F385-L636 HydrophobicContact CD2-CD1 3.62Å; F385-L636 HydrophobicContact CE2-CD1 4.08Å; E632-L636 WeakPolarHBondContact O-CB 3.35Å; E632-L636 WeakPolarHBondContact O-CG 3.33Å; E632-L636 PolarHBondContact O-N 3.37Å; M633-L636 PolarHBondContact O-N 3.34Å; K634-L636 VanDerWaalsContact C-N 3.35Å; K634-L636 PolarHBondContact O-N 3.46Å; L636-Q638 VanDerWaalsContact C-N 3.28Å; L636-Q638 PolarHBondContact O-N 3.2Å; L636-T639 WeakPolarHBondContact CA-OG1 3.33Å; L636-T639 PolarHBondContact O-N 3.47Å; L636-T639 PolarHBondContact O-OG1 3.11Å; L636-T639 VanDerWaalsContact O-OG1 3.13Å; L636-N640 WeakPolarHBondContact O-CB 3.5Å; L636-N640 VanDerWaalsContact O-CG 3.28Å; L636-N640 PolarHBondContact O-N 3.47Å; L636-N640 VanDerWaalsContact O-N 3.09Å
637	N	48.6	Very low	47.3	Very low	59 Å²	59	89 Å²	89	32%	0.316	48%	0.478	S	S	.	.	H	α-helix	trans	-62.3	-35.8	169.1	-70.2	-6.3	0	0	0	111.8	M633 K634 I641	M633-N637 WeakPolarHBondContact O-CB 3.47Å; M633-N637 PolarHBondContact O-N 2.7Å; M633-N637 PolarHBondContact O-OD1 2.76Å; K634-N637 PolarHBondContact O-N 3.5Å; N637-I641 WeakPolarHBondContact O-CD1 3.14Å; N637-I641 WeakPolarHBondContact O-CG1 3.22Å
638	Q	49.5	Very low	45.5	Very low	127 Å²	127	89.6 Å²	89.6	59%	0.593	49%	0.49	S	S	*	.	H	α-helix	trans	-71.8	-46.5	175.2	-72.9	172.8	-12.3	0	0	112.3	K634 K635 L636 N640 I641 V642	K634-Q638 WeakPolarHBondContact O-CG 3.39Å; K634-Q638 PolarHBondContact O-N 2.84Å; K635-Q638 WeakPolarHBondContact O-CB 3.43Å; K635-Q638 PolarHBondContact O-N 3.34Å; K635-Q638 VanDerWaalsContact O-N 3.16Å; L636-Q638 VanDerWaalsContact C-N 3.28Å; L636-Q638 PolarHBondContact O-N 3.2Å; Q638-N640 VanDerWaalsContact C-N 3.28Å; Q638-N640 PolarHBondContact O-N 3Å; Q638-I641 PolarHBondContact O-N 3.36Å; Q638-I641 VanDerWaalsContact O-N 3.07Å; Q638-V642 WeakPolarHBondContact O-CG2 3.27Å; Q638-V642 PolarHBondContact O-N 2.68Å
639	T	44.2	Very low	43.7	Very low	69 Å²	69	89.1 Å²	89.1	42%	0.423	50%	0.497	S	S	.	.	H	α-helix	trans	-63.4	-34.2	-179.9	53.1	0	0	0	0	112.6	K635 L636 I641 V642	K635-T639 PolarHBondContact O-N 3.06Å; K635-T639 PolarHBondContact O-OG1 2.94Å; L636-T639 WeakPolarHBondContact CA-OG1 3.33Å; L636-T639 PolarHBondContact O-N 3.47Å; L636-T639 PolarHBondContact O-OG1 3.11Å; L636-T639 VanDerWaalsContact O-OG1 3.13Å; T639-I641 PolarHBondContact O-N 2.88Å; T639-V642 PolarHBondContact O-N 3.31Å
640	N	37.9	Very low	42	Very low	104 Å²	104	93.9 Å²	93.9	56%	0.556	53%	0.529	S	S	*	.	H	α-helix	trans	-69.7	-13.6	176.8	-72.9	-6.4	0	0	0	113.9	L636 Q638	L636-N640 WeakPolarHBondContact O-CB 3.5Å; L636-N640 VanDerWaalsContact O-CG 3.28Å; L636-N640 PolarHBondContact O-N 3.47Å; L636-N640 VanDerWaalsContact O-N 3.09Å; Q638-N640 VanDerWaalsContact C-N 3.28Å; Q638-N640 PolarHBondContact O-N 3Å
641	I	36.9	Very low	40.4	Very low	117 Å²	117	99.9 Å²	99.9	60%	0.6	57%	0.568	S	S	*	*	H	α-helix	trans	-96.9	-23	178.1	-66.9	170.7	0	0	0	111.9	N637 Q638 T639	N637-I641 WeakPolarHBondContact O-CD1 3.14Å; N637-I641 WeakPolarHBondContact O-CG1 3.22Å; Q638-I641 PolarHBondContact O-N 3.36Å; Q638-I641 VanDerWaalsContact O-N 3.07Å; T639-I641 PolarHBondContact O-N 2.88Å
642	V	30.9	Very low	38.4	Very low	87 Å²	87	103.1 Å²	103.1	53%	0.527	59%	0.59	S	S	.	*	H	α-helix	trans	-97.3	-6.1	-170.2	177.8	0	0	0	0	114	Q638 T639 S644 S645	Q638-V642 WeakPolarHBondContact O-CG2 3.27Å; Q638-V642 PolarHBondContact O-N 2.68Å; T639-V642 PolarHBondContact O-N 3.31Å; V642-S644 PolarHBondContact O-N 3.18Å; V642-S645 PolarHBondContact O-N 3.31Å; V642-S645 PolarHBondContact O-OG 3.26Å
643	N	29.6	Very low	36.3	Very low	149 Å²	149	106.4 Å²	106.4	80%	0.797	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	36.3	177.8	-77.3	-6.1	0	0	0	114.6
644	S	22.3	Very low	34.8	Very low	103 Å²	103	112 Å²	112	72%	0.72	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.1	22	169	55.7	0	0	0	0	112.2	V642	V642-S644 PolarHBondContact O-N 3.18Å
645	S	26.2	Very low	32.8	Very low	91 Å²	91	113.3 Å²	113.3	64%	0.636	67%	0.667	S	S	*	*			trans	-76	120.2	171.9	-59.5	0	0	0	0	110.4	V642	V642-S645 PolarHBondContact O-N 3.31Å; V642-S645 PolarHBondContact O-OG 3.26Å
646	P	27.5	Very low	31	Very low	114 Å²	114	112.8 Å²	112.8	74%	0.74	68%	0.675	S	S	*	*			trans	-70.2	149.5	-177.4	28.2	-34.6	0	0	0	112.4	S648	P646-S648 PolarHBondContact O-N 3.37Å
647	L	22.8	Very low	29.5	Very low	172 Å²	172	114.4 Å²	114.4	90%	0.901	69%	0.692	S	S	*	*			trans	-73.3	87.3	-176.1	-170.8	74.6	0	0	0	111.7	P649	L647-P649 WeakPolarHBondContact O-CD 3.34Å
648	S	27.5	Very low	28.2	Very low	105 Å²	105	119.7 Å²	119.7	73%	0.734	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-65.2	120	168.6	-62.1	0	0	0	0	110.1	P646	P646-S648 PolarHBondContact O-N 3.37Å
649	P	29.7	Very low	27	Very low	108 Å²	108	117.8 Å²	117.8	70%	0.701	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-67.3	150.4	179.6	27.8	-34.2	0	0	0	111.4	L647	L647-P649 WeakPolarHBondContact O-CD 3.34Å
650	P	27	Very low	26	Very low	116 Å²	116	120 Å²	120	75%	0.753	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-67.6	135.2	-174.2	27.2	-34.7	0	0	0	111.6	T652	P650-T652 PolarHBondContact O-N 2.89Å
651	P	28	Very low	25.3	Very low	130 Å²	130	121.9 Å²	121.9	84%	0.844	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-67.2	131.9	175.6	27.9	-33.7	0	0	0	110.6
652	T	24	Very low	24.6	Very low	127 Å²	127	122.1 Å²	122.1	78%	0.779	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-70.2	144.6	178.6	45.8	0	0	0	0	112.5	P650 T654	P650-T652 PolarHBondContact O-N 2.89Å; T652-T654 PolarHBondContact O-N 3.42Å
653	T	20.9	Very low	24.2	Very low	134 Å²	134	126.8 Å²	126.8	82%	0.822	79%	0.785	S	S	*	*			trans	-31	122.4	167.3	49	0	0	0	0	116.4
654	T	23.4	Very low	23.9	Very low	131 Å²	131	124.2 Å²	124.2	80%	0.804	78%	0.779	S	S	*	*			trans	-141.6	134.4	149	41.1	0	0	0	0	109.8	T652	T652-T654 PolarHBondContact O-N 3.42Å
655	V	20.5	Very low	24	Very low	138 Å²	138	127.1 Å²	127.1	84%	0.836	79%	0.787	S	S	*	*			trans	-98.4	110.2	-178.5	177.1	0	0	0	0	110.2
656	T	23.6	Very low	23.7	Very low	125 Å²	125	131 Å²	131	77%	0.767	80%	0.8	S	S	*	*			trans	-144.8	112.2	163.6	45	0	0	0	0	107.2
657	S	19.7	Very low	23.6	Very low	97 Å²	97	130.6 Å²	130.6	68%	0.678	80%	0.799	S	S	*	*				90.1	151.7	54.2	-68.5	0	0	0	0	113.2
658	I	20.8	Very low	23.6	Very low	169 Å²	169	129.3 Å²	129.3	87%	0.867	79%	0.793	S	S	*	*			trans	73.5	150.4	169.7	-22.4	178.9	0	0	0	116.8
659	A	24.7	Very low	23.5	Very low	87 Å²	87	129.5 Å²	129.5	72%	0.719	80%	0.795	S	S	*	*			trans	65.4	88.2	173.1	0	0	0	0	0	116.6
660	S	21.8	Very low	23.4	Very low	115 Å²	115	129.2 Å²	129.2	80%	0.804	79%	0.793	S	S	*	*				75.6	85	51.9	89.1	0	0	0	0	115.7
661	V	23.7	Very low	23.4	Very low	144 Å²	144	130.6 Å²	130.6	87%	0.873	80%	0.799	S	S	*	*			trans	-125.9	118	152.9	-179.5	0	0	0	0	108.9	L663	V661-L663 PolarHBondContact O-N 3.32Å
662	T	22.9	Very low	23.1	Very low	123 Å²	123	130.3 Å²	130.3	76%	0.755	79%	0.79	S	S	*	*			trans	-48.4	121.6	-179	46.4	0	0	0	0	115.1
663	L	21.5	Very low	23.2	Very low	184 Å²	184	132.1 Å²	132.1	96%	0.963	80%	0.795	S	S	*	*			trans	-105.3	85	150.8	-87.7	172.4	0	0	0	108.9	V661	V661-L663 PolarHBondContact O-N 3.32Å
664	S	22.8	Very low	23.3	Very low	95 Å²	95	131.6 Å²	131.6	66%	0.664	79%	0.787	S	S	*	*			trans	-87.9	105.2	173.8	53.7	0	0	0	0	110.5
665	N	25.7	Very low	23.3	Very low	164 Å²	164	130.8 Å²	130.8	88%	0.877	79%	0.787	S	S	*	*			trans	-163	132.2	132.6	-100	-19.4	0	0	0	111.2
666	L	19.8	Very low	23.4	Very low	174 Å²	174	132.6 Å²	132.6	91%	0.911	78%	0.784	S	S	*	*			trans	-91.2	138.3	172.9	-61.4	120.2	0	0	0	109.5
667	S	24.2	Very low	23.6	Very low	105 Å²	105	136.3 Å²	136.3	73%	0.734	79%	0.789	S	S	*	*			trans	-158.6	120.2	137.3	50.5	0	0	0	0	111.9
668	N	24.8	Very low	23.9	Very low	145 Å²	145	138 Å²	138	78%	0.775	79%	0.791	S	S	*	*			trans	36	108	138.1	-51.6	-6.6	0	0	0	117.5
669	S	23.7	Very low	24.3	Very low	109 Å²	109	138 Å²	138	76%	0.762	79%	0.793	S	S	*	*				76.9	157.3	62.2	87.9	0	0	0	0	113
670	P	28.6	Very low	24.1	Very low	102 Å²	102	138.5 Å²	138.5	66%	0.662	79%	0.791	S	S	*	*				-129.9	164	-105.6	34.5	-15.8	0	0	0	115.2	L672	P670-L672 HydrophobicContact CG-CD1 4.25Å
671	T	26.2	Very low	24.2	Very low	144 Å²	144	138.1 Å²	138.1	88%	0.883	79%	0.788	S	S	*	*			trans	-107	99.3	158.3	52.7	0	0	0	0	109.4
672	L	21.7	Very low	24.1	Very low	124 Å²	124	137.6 Å²	137.6	65%	0.649	78%	0.778	S	S	*	*			trans	-63.1	146.5	157.7	-84.9	77.9	0	0	0	108.8	P670	P670-L672 HydrophobicContact CG-CD1 4.25Å
673	N	27.3	Very low	24.2	Very low	166 Å²	166	140.3 Å²	140.3	89%	0.888	78%	0.776	S	S	*	*			trans	-154.8	114.9	133.3	-115	-13	0	0	0	108.9
674	D	21.7	Very low	24.5	Very low	122 Å²	122	138.2 Å²	138.2	65%	0.652	77%	0.765	S	S	*	*			trans	-71.5	145.7	176.1	-55.6	-85.8	0	0	0	111.2
675	S	24.8	Very low	24.4	Very low	115 Å²	115	141.8 Å²	141.8	80%	0.804	77%	0.771	S	S	*	*			trans	-169.4	106.5	132.7	20.3	0	0	0	0	112.7
676	F	21.4	Very low	24.4	Very low	176 Å²	176	139.9 Å²	139.9	77%	0.772	77%	0.771	S	S	*	*			trans	-4.3	129.7	145	-67.3	-95.3	0	0	0	117.7
677	K	29.2	Very low	24.5	Very low	202 Å²	202	142.3 Å²	142.3	88%	0.878	77%	0.768	S	S	*	*				-160.7	96.7	113.5	-109.4	165.5	-174.2	175.1	0	112.2
678	D	24.5	Very low	24.6	Very low	134 Å²	134	146.9 Å²	146.9	72%	0.717	78%	0.775	S	S	*	*			trans	-62.6	140	154.8	-70.1	-70.4	0	0	0	109.9
679	N	28.5	Very low	24.5	Very low	168 Å²	168	147.2 Å²	147.2	90%	0.898	78%	0.775	S	S	*	*			trans	-136.2	83.5	156.1	-107.6	-10.5	0	0	0	106.8
680	S	21.4	Very low	24.4	Very low	97 Å²	97	146.9 Å²	146.9	68%	0.678	77%	0.773	S	S	*	*			trans	-74.2	167.8	171.3	61.8	0	0	0	0	110.6
681	S	23.2	Very low	24	Very low	108 Å²	108	150.5 Å²	150.5	76%	0.755	78%	0.78	S	S	*	*			trans	76.1	143.8	164	100.8	0	0	0	0	114.4
682	M	21.7	Very low	23.9	Very low	133 Å²	133	148.2 Å²	148.2	66%	0.655	77%	0.77	S	S	*	*			cis	-148.5	167.3	0.4	-80	-153.2	76.5	0	0	113.2
683	Y	25	Very low	23.8	Very low	180 Å²	180	150.4 Å²	150.4	71%	0.706	78%	0.782	S	S	*	*			trans	95.6	128.4	135.3	-88	-51.2	0	0	0	123.1
684	N	27.7	Very low	23.7	Very low	140 Å²	140	150.7 Å²	150.7	75%	0.749	78%	0.778	S	S	*	*			trans	79.4	112.4	144.1	-69.4	-26.9	0	0	0	120.9
685	E	22.4	Very low	23.6	Very low	169 Å²	169	152.3 Å²	152.3	79%	0.79	79%	0.785	S	S	*	*			trans	-54.6	150.8	155	-45.4	178.4	113.3	0	0	111.9
686	S	25.4	Very low	23.6	Very low	125 Å²	125	152.4 Å²	152.4	87%	0.874	78%	0.784	S	S	*	*			trans	-156.7	132.9	139.6	-89.3	0	0	0	0	110.8
687	R	21.3	Very low	23.7	Very low	225 Å²	225	150.3 Å²	150.3	85%	0.849	79%	0.785	S	S	*	*			trans	-78.6	136.5	-174.5	-54.9	170.3	-170.4	160.7	3.2	110.8
688	K	26.8	Very low	23.5	Very low	201 Å²	201	148 Å²	148	87%	0.874	78%	0.781	S	S	*	*			trans	-160.6	115.5	141.7	-111.1	159.6	-171.6	176.7	0	110.9
689	I	21.2	Very low	23.6	Very low	152 Å²	152	148.2 Å²	148.2	78%	0.779	78%	0.778	S	S	*	*			trans	-87.6	131.1	168.6	-61.7	170.4	0	0	0	106.5
690	S	22.8	Very low	23.5	Very low	102 Å²	102	151.1 Å²	151.1	71%	0.713	78%	0.776	S	S	*	*			trans	-151.9	125.5	170.7	-67.6	0	0	0	0	108.4	S692	S690-S692 PolarHBondContact O-N 3.18Å
691	H	20.4	Very low	23.5	Very low	177 Å²	177	157 Å²	157	82%	0.819	79%	0.785	S	S	*	*			trans	-85	109.6	-171.1	-68.1	-102.3	0	0	0	111
692	S	23	Very low	23.6	Very low	96 Å²	96	160.4 Å²	160.4	67%	0.671	79%	0.786	S	S	*	*			trans	-126.6	98.1	159.5	57.4	0	0	0	0	109.2	S690 Q694	S690-S692 PolarHBondContact O-N 3.18Å; S692-Q694 PolarHBondContact O-N 2.67Å
693	L	20.3	Very low	23.8	Very low	171 Å²	171	159.9 Å²	159.9	90%	0.895	79%	0.791	S	S	*	*			trans	-72.4	76.1	176.1	-81.8	163.4	0	0	0	110.5
694	Q	25.3	Very low	23.8	Very low	172 Å²	172	160.9 Å²	160.9	80%	0.804	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-82.5	119.1	176.9	-162.3	158.3	-4.9	0	0	109.4	S692	S692-Q694 PolarHBondContact O-N 2.67Å
695	L	20.4	Very low	23.6	Very low	155 Å²	155	162.3 Å²	162.3	81%	0.812	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-59.5	134.2	-175.7	-113.9	69.4	0	0	0	111.1	T697	L695-T697 PolarHBondContact O-N 3.09Å
696	P	22.9	Very low	23.8	Very low	118 Å²	118	163.5 Å²	163.5	77%	0.766	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-66	125.4	-178.5	-21.9	33.5	0	0	0	112.9
697	T	25	Very low	23.9	Very low	131 Å²	131	164.9 Å²	164.9	80%	0.804	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-63.4	138	175.7	-43.6	0	0	0	0	111.6	L695 E699	L695-T697 PolarHBondContact O-N 3.09Å; T697-E699 PolarHBondContact O-N 2.71Å
698	I	24.8	Very low	24.1	Very low	155 Å²	155	162.1 Å²	162.1	80%	0.795	81%	0.807	S	S	*	*	S	Bend	trans	-82.2	79.7	-168.2	-51.5	174.4	0	0	0	111.3
699	E	26.5	Very low	23.9	Very low	138 Å²	138	158.2 Å²	158.2	65%	0.645	81%	0.805	S	S	*	*			trans	-121.9	-6.6	-179.3	-93.1	-74.7	107.3	0	0	114.8	T697 Y701	T697-E699 PolarHBondContact O-N 2.71Å; E699-Y701 PolarHBondContact O-N 3.1Å
700	R	25.1	Very low	24.3	Very low	229 Å²	229	159.6 Å²	159.6	86%	0.864	81%	0.808	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	6.9	-169.9	-86.5	-169.2	178.2	-174.2	1.2	117.7
701	Y	21.9	Very low	24.7	Very low	219 Å²	219	164.6 Å²	164.6	86%	0.859	82%	0.817	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118	31.4	-173.7	-73	-68.4	0	0	0	115.3	E699	E699-Y701 PolarHBondContact O-N 3.1Å
702	K	25.6	Very low	24.9	Very low	180 Å²	180	163.1 Å²	163.1	78%	0.783	81%	0.814	S	S	*	*	S	Bend	trans	-116.4	3.4	-179.2	-91.5	-179.2	176.7	171.1	0	116.7
703	T	26.6	Very low	25.3	Very low	123 Å²	123	165.6 Å²	165.6	76%	0.755	82%	0.82	S	S	*	*	S	Bend	trans	-106.1	6.1	-167.9	46.2	0	0	0	0	116.3
704	F	24.1	Very low	25.9	Very low	201 Å²	201	165.8 Å²	165.8	88%	0.882	82%	0.816	S	S	*	*	S	Bend	trans	-110.8	19.7	-170.6	-112.8	-79.3	0	0	0	116.8
705	I	24.8	Very low	26.2	Very low	170 Å²	170	163 Å²	163	87%	0.872	81%	0.807	S	S	*	*			trans	-133.7	73.9	166.9	-48.5	179.7	0	0	0	110
706	K	25.5	Very low	26.6	Very low	193 Å²	193	160.6 Å²	160.6	84%	0.839	80%	0.795	S	S	*	*			trans	-148.5	93.9	164.7	-83.4	-165.7	175.7	-176.1	0	109.6
707	N	26.9	Very low	27.1	Very low	155 Å²	155	159.3 Å²	159.3	83%	0.829	79%	0.788	S	S	*	*	S	Bend	trans	167.4	116.2	152.1	-87.3	-12.8	0	0	0	107.7
708	D	25.8	Very low	27.4	Very low	166 Å²	166	159.3 Å²	159.3	89%	0.888	78%	0.779	S	S	*	*			trans	148.1	3.2	167.4	-84.9	-7.6	0	0	0	112.8	Q710	D708-Q710 PolarHBondContact O-N 3.47Å
709	S	23.2	Very low	27.5	Very low	119 Å²	119	159.1 Å²	159.1	83%	0.832	77%	0.773	S	S	*	*			trans	-74	56.6	174.9	59.4	0	0	0	0	113.6
710	Q	29.5	Very low	27.6	Very low	181 Å²	181	158 Å²	158	85%	0.846	77%	0.771	S	S	*	*	S	Bend	trans	-149.4	56.9	175.7	-71.5	-163.3	-10.8	0	0	114	D708	D708-Q710 PolarHBondContact O-N 3.47Å
711	K	30.3	Very low	27.8	Very low	208 Å²	208	150.7 Å²	150.7	90%	0.904	76%	0.755	S	S	*	*	S	Bend	trans	-166.8	2.2	156.5	-119.1	160.3	-171.6	172.5	0	121.7
712	L	26.5	Very low	28.2	Very low	145 Å²	145	146.2 Å²	146.2	76%	0.759	75%	0.745	S	S	*	*			trans	-123.8	32.1	-173.9	-147.9	74.8	0	0	0	115.1	Q714	L712-Q714 VanDerWaalsContact C-N 3.31Å; L712-Q714 PolarHBondContact O-N 2.8Å
713	D	29.6	Very low	28.1	Very low	148 Å²	148	143.6 Å²	143.6	79%	0.791	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	41.3	-171.2	-150.2	12.9	0	0	0	113.3
714	Q	33.3	Very low	28.1	Very low	175 Å²	175	145.7 Å²	145.7	82%	0.818	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-143.3	-1.4	-176.2	-139.4	168.9	12	0	0	115.7	L712	L712-Q714 VanDerWaalsContact C-N 3.31Å; L712-Q714 PolarHBondContact O-N 2.8Å
715	N	31.3	Very low	28.1	Very low	114 Å²	114	141.3 Å²	141.3	61%	0.61	73%	0.734	S	S	*	*	S	Bend	trans	-112.5	-7	171.9	-79.6	-19.5	0	0	0	113.4	F719	N715-F719 PolarHBondContact O-N 2.99Å
716	L	30	Very low	28.1	Very low	105 Å²	105	140.5 Å²	140.5	55%	0.55	73%	0.731	S	S	.	*	H	α-helix	trans	-77.7	-38.9	-177.8	-104.6	164.2	0	0	0	112.9	E718 F719 L720	L716-E718 VanDerWaalsContact C-N 3.35Å; L716-E718 PolarHBondContact O-N 3.03Å; L716-F719 PolarHBondContact O-N 2.95Å; L716-L720 HydrophobicContact CD2-CD1 4.5Å; L716-L720 WeakPolarHBondContact O-CG 3.47Å; L716-L720 PolarHBondContact O-N 3.38Å
717	S	33.1	Very low	28.1	Very low	90 Å²	90	139.3 Å²	139.3	63%	0.629	73%	0.729	S	S	*	*	H	α-helix	trans	-62.6	-39.3	179.2	-50.5	0	0	0	0	112.8	L720 S721	S717-L720 PolarHBondContact O-N 3.01Å; S717-S721 PolarHBondContact O-N 2.96Å; S717-S721 PolarHBondContact O-OG 3.27Å
718	E	31.3	Very low	28	Very low	132 Å²	132	140.1 Å²	140.1	62%	0.617	73%	0.728	S	S	*	*	H	α-helix	trans	-74.7	-26.2	177.7	-169	171.3	-144	0	0	112.5	L716 S721 N722	L716-E718 VanDerWaalsContact C-N 3.35Å; L716-E718 PolarHBondContact O-N 3.03Å; E718-S721 WeakPolarHBondContact CA-OG 3.34Å; E718-S721 PolarHBondContact O-OG 3.12Å; E718-N722 PolarHBondContact O-ND2 3.06Å
719	F	26.5	Very low	27.8	Very low	150 Å²	150	138.6 Å²	138.6	66%	0.658	72%	0.718	S	S	*	*	H	α-helix	trans	-75.3	-34.7	172.3	-149.1	-88.4	0	0	0	112.1	N715 L716 L723	N715-F719 PolarHBondContact O-N 2.99Å; L716-F719 PolarHBondContact O-N 2.95Å; F719-L723 HydrophobicContact CD1-CD1 4.25Å; F719-L723 HydrophobicContact CE1-CD1 4.3Å
720	L	29	Very low	27.8	Very low	116 Å²	116	141.1 Å²	141.1	61%	0.607	72%	0.717	S	S	*	*	H	α-helix	trans	-75.3	-33.5	176.5	-69.6	170.7	0	0	0	112.6	L716 S717 N722 L723	L716-L720 HydrophobicContact CD2-CD1 4.5Å; L716-L720 WeakPolarHBondContact O-CG 3.47Å; L716-L720 PolarHBondContact O-N 3.38Å; S717-L720 PolarHBondContact O-N 3.01Å; L720-N722 PolarHBondContact O-N 3.15Å; L720-L723 PolarHBondContact O-N 2.85Å
721	S	29.9	Very low	27.6	Very low	75 Å²	75	139.9 Å²	139.9	52%	0.524	71%	0.711	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.3	-14.8	176.4	63.8	0	0	0	0	114.4	S717 E718	S717-S721 PolarHBondContact O-N 2.96Å; S717-S721 PolarHBondContact O-OG 3.27Å; E718-S721 WeakPolarHBondContact CA-OG 3.34Å; E718-S721 PolarHBondContact O-OG 3.12Å
722	N	29.2	Very low	27.4	Very low	124 Å²	124	139.1 Å²	139.1	66%	0.663	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	5.4	176.3	-75.9	-69.3	0	0	0	113.3	E718 L720	E718-N722 PolarHBondContact O-ND2 3.06Å; L720-N722 PolarHBondContact O-N 3.15Å
723	L	24.6	Very low	27.4	Very low	126 Å²	126	138.4 Å²	138.4	66%	0.66	71%	0.708	S	S	*	*			trans	-107.9	50.5	172.5	-75	168.3	0	0	0	110.8	F719 L720	F719-L723 HydrophobicContact CD1-CD1 4.25Å; F719-L723 HydrophobicContact CE1-CD1 4.3Å; L720-L723 PolarHBondContact O-N 2.85Å
724	Q	26.6	Very low	27.2	Very low	166 Å²	166	140.8 Å²	140.8	78%	0.776	71%	0.714	S	S	*	*			trans	-111.4	73.8	172.3	-164.8	168.6	6.5	0	0	109.8
725	C	23.6	Very low	27	Very low	110 Å²	110	139 Å²	139	74%	0.743	71%	0.71	S	S	*	*			trans	-121.6	128.5	163	-68.1	0	0	0	0	107.3	E727	C725-E727 VanDerWaalsContact C-N 3.3Å; C725-E727 PolarHBondContact O-N 3.07Å
726	D	25.1	Very low	26.8	Very low	152 Å²	152	141.8 Å²	141.8	81%	0.813	72%	0.721	S	S	*	*			trans	-73.1	82.5	-178.3	-58.8	-73.7	0	0	0	110.8	Q728	D726-Q728 PolarHBondContact O-N 2.95Å
727	E	24.3	Very low	26.6	Very low	168 Å²	168	142.7 Å²	142.7	79%	0.785	73%	0.727	S	S	*	*			trans	-69.1	86.8	162.1	-70.9	-170.2	159.3	0	0	108.3	C725 I729	C725-E727 VanDerWaalsContact C-N 3.3Å; C725-E727 PolarHBondContact O-N 3.07Å; E727-I729 VanDerWaalsContact C-N 3.28Å; E727-I729 PolarHBondContact O-N 3.32Å
728	Q	24.7	Very low	26.3	Very low	173 Å²	173	146.2 Å²	146.2	81%	0.808	74%	0.739	S	S	*	*			trans	-67.6	92.7	163.1	-72.3	-169.9	-40.2	0	0	108.2	D726 E730	D726-Q728 PolarHBondContact O-N 2.95Å; Q728-E730 VanDerWaalsContact C-N 3.32Å; Q728-E730 PolarHBondContact O-N 3.21Å
729	I	22.9	Very low	26	Very low	134 Å²	134	148.1 Å²	148.1	69%	0.687	75%	0.745	S	S	*	*			trans	-71.7	89.5	173.3	-57.8	166.2	0	0	0	107.3	E727 E731	E727-I729 VanDerWaalsContact C-N 3.28Å; E727-I729 PolarHBondContact O-N 3.32Å; I729-E731 HydrophobicContact CG2-CG 4.02Å; I729-E731 PolarHBondContact O-N 3.09Å
730	E	23.4	Very low	25.7	Very low	172 Å²	172	150.6 Å²	150.6	80%	0.804	76%	0.756	S	S	*	*			trans	-75.9	100.8	164.6	-67.9	-166.3	143	0	0	108.2	Q728 E732	Q728-E730 VanDerWaalsContact C-N 3.32Å; Q728-E730 PolarHBondContact O-N 3.21Å; E730-E732 PolarHBondContact O-N 3.1Å
731	E	24.7	Very low	25.3	Very low	154 Å²	154	151.7 Å²	151.7	72%	0.72	77%	0.768	S	S	*	*			trans	-68.6	95.8	172.9	-63.3	-177.4	138.2	0	0	109.1	I729 N733	I729-E731 HydrophobicContact CG2-CG 4.02Å; I729-E731 PolarHBondContact O-N 3.09Å; E731-N733 VanDerWaalsContact C-N 3.29Å; E731-N733 PolarHBondContact O-N 2.85Å; E731-N733 PolarHBondContact O-ND2 2.92Å
732	E	26	Very low	25	Very low	193 Å²	193	154.2 Å²	154.2	90%	0.902	78%	0.78	S	S	*	*			trans	-62.7	90.8	168.4	-72.9	-168.1	144.1	0	0	109.5	E730	E730-E732 PolarHBondContact O-N 3.1Å
733	N	26.5	Very low	24.7	Very low	130 Å²	130	157.1 Å²	157.1	70%	0.695	79%	0.79	S	S	*	*			trans	-69.5	139.1	178.2	-81.9	-101.1	0	0	0	110.2	E731 D735	E731-N733 VanDerWaalsContact C-N 3.29Å; E731-N733 PolarHBondContact O-N 2.85Å; E731-N733 PolarHBondContact O-ND2 2.92Å; N733-D735 PolarHBondContact O-N 3.16Å
734	E	25.6	Very low	24.4	Very low	197 Å²	197	159.8 Å²	159.8	92%	0.921	80%	0.803	S	S	*	*			trans	-73.4	60	-179.3	-62.4	-174.7	135.8	0	0	112.7	M736	E734-M736 PolarHBondContact O-N 2.75Å
735	D	28.1	Very low	24.3	Very low	139 Å²	139	156.7 Å²	156.7	74%	0.743	80%	0.801	S	S	*	*			trans	-87	109.8	-176.3	-146.1	-5.2	0	0	0	112.1	N733 N737	N733-D735 PolarHBondContact O-N 3.16Å; D735-N737 PolarHBondContact O-N 2.61Å; D735-N737 VanDerWaalsContact O-N 3.1Å
736	M	26.8	Very low	24.3	Very low	171 Å²	171	156.5 Å²	156.5	84%	0.842	80%	0.8	S	S	*	*			trans	-73.1	98.8	-169	-77.1	-109.6	-71.7	0	0	113.1	E734	E734-M736 PolarHBondContact O-N 2.75Å
737	N	27.8	Very low	24	Very low	124 Å²	124	157.3 Å²	157.3	66%	0.663	80%	0.803	S	S	*	*			trans	-128.8	101.6	169	-85	-71.7	0	0	0	113.1	D735 F739	D735-N737 PolarHBondContact O-N 2.61Å; D735-N737 VanDerWaalsContact O-N 3.1Å; N737-F739 VanDerWaalsContact C-N 3.33Å; N737-F739 PolarHBondContact O-N 2.92Å
738	N	26	Very low	24	Very low	164 Å²	164	156.4 Å²	156.4	88%	0.877	80%	0.803	S	S	*	*			trans	-70.2	83	170	-81.4	-40.1	0	0	0	110.8	F740	N738-F740 VanDerWaalsContact C-N 3.27Å; N738-F740 PolarHBondContact O-N 3.16Å
739	F	24.6	Very low	24	Very low	173 Å²	173	154.6 Å²	154.6	76%	0.759	80%	0.804	S	S	*	*			trans	-83	61.4	-172.8	-145.1	-88.6	0	0	0	113.7	N737	N737-F739 VanDerWaalsContact C-N 3.33Å; N737-F739 PolarHBondContact O-N 2.92Å
740	F	19.9	Very low	23.9	Very low	202 Å²	202	154.4 Å²	154.4	89%	0.886	81%	0.81	S	S	*	*			trans	-137.1	43.9	-177.6	-98	-66.4	0	0	0	115.1	N738	N738-F740 VanDerWaalsContact C-N 3.27Å; N738-F740 PolarHBondContact O-N 3.16Å
741	T	20.9	Very low	24	Very low	138 Å²	138	153.3 Å²	153.3	85%	0.847	81%	0.809	S	S	*	*			trans	-161.4	100	154.3	45.5	0	0	0	0	112.9
742	T	23.4	Very low	23.9	Very low	128 Å²	128	151.5 Å²	151.5	79%	0.785	81%	0.811	S	S	*	*			trans	-141.2	136.9	151.7	39.2	0	0	0	0	109.3
743	Q	23.4	Very low	24.1	Very low	185 Å²	185	148.6 Å²	148.6	86%	0.864	81%	0.807	S	S	*	*			trans	-78.1	158.8	-169.6	-62.1	-169.5	5.1	0	0	113.1	S745	Q743-S745 PolarHBondContact O-N 3.22Å
744	L	19.2	Very low	24	Very low	182 Å²	182	151 Å²	151	95%	0.953	81%	0.811	S	S	*	*			trans	-62.2	117.4	163.7	-70.4	160.4	0	0	0	109.8
745	S	23	Very low	24	Very low	102 Å²	102	149.9 Å²	149.9	71%	0.713	81%	0.805	S	S	*	*			trans	-144.2	130.1	167.9	65.6	0	0	0	0	112.5	Q743	Q743-S745 PolarHBondContact O-N 3.22Å
746	S	23	Very low	23.7	Very low	105 Å²	105	151.9 Å²	151.9	73%	0.734	81%	0.81	S	S	*	*			trans	60.4	88.5	154.3	-52	0	0	0	0	117.6	N748	S746-N748 PolarHBondContact O-N 3.31Å
747	I	19.6	Very low	23.7	Very low	170 Å²	170	150.8 Å²	150.8	87%	0.872	81%	0.813	S	S	*	*			trans	-61.4	113.3	152.4	-61.7	168.9	0	0	0	107.6
748	N	24.7	Very low	23.3	Very low	148 Å²	148	150.2 Å²	150.2	79%	0.791	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-95.1	140.4	164.7	-91.3	-19.7	0	0	0	109.8	S746	S746-N748 PolarHBondContact O-N 3.31Å
749	T	23.9	Very low	23.2	Very low	135 Å²	135	152.2 Å²	152.2	83%	0.828	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-70.9	143.3	-172.1	44.4	0	0	0	0	113
750	T	22.2	Very low	23.1	Very low	131 Å²	131	150.8 Å²	150.8	80%	0.804	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-59.9	135.7	169.3	49.7	0	0	0	0	112.3
751	D	25	Very low	23.4	Very low	148 Å²	148	149.1 Å²	149.1	79%	0.791	82%	0.819	S	S	*	*			trans	-144.7	107.5	148.4	-153.4	-15.7	0	0	0	110.7
752	P	22.6	Very low	23.5	Very low	116 Å²	116	150.6 Å²	150.6	75%	0.753	82%	0.816	S	S	*	*			trans	-107	91.7	-168.9	37.4	-30.8	0	0	0	113.4
753	T	29.5	Very low	23.5	Very low	133 Å²	133	149.1 Å²	149.1	82%	0.816	81%	0.811	S	S	*	*			trans	-122	136.8	166.6	49.9	0	0	0	0	113.7
754	K	24.2	Very low	23.5	Very low	179 Å²	179	147.3 Å²	147.3	78%	0.778	81%	0.808	S	S	*	*			trans	-69	150.1	176.3	-56.6	156	-174.4	168.7	0	108.3
755	H	26.6	Very low	23.9	Very low	174 Å²	174	146.9 Å²	146.9	81%	0.806	80%	0.8	S	S	*	*				-165.2	154.7	64.3	-99.7	-89.3	0	0	0	112.9
756	H	22.3	Very low	23.9	Very low	182 Å²	182	146.4 Å²	146.4	84%	0.843	80%	0.797	S	S	*	*			trans	-68.7	135.7	162.3	-60.4	-93.4	0	0	0	111.3
757	T	25.2	Very low	24.2	Very low	148 Å²	148	149 Å²	149	91%	0.908	80%	0.802	S	S	*	*				-153.8	140.7	127.1	19.1	0	0	0	0	109.8
758	S	20.3	Very low	24.3	Very low	112 Å²	112	150.9 Å²	150.9	78%	0.783	80%	0.8	S	S	*	*			trans	-86.2	143.1	175.9	48.7	0	0	0	0	111.6
759	K	24.6	Very low	24.7	Very low	205 Å²	205	151.4 Å²	151.4	89%	0.891	80%	0.801	S	S	*	*			trans	-165.3	149.8	134.9	-109.5	160.2	-172.6	178	0	112.7
760	L	21	Very low	25.2	Very low	143 Å²	143	149.5 Å²	149.5	75%	0.749	79%	0.791	S	S	*	*			trans	-65.5	150.7	177.5	-58.7	122.4	0	0	0	111.3
761	N	27.4	Very low	25.3	Very low	167 Å²	167	151.4 Å²	151.4	89%	0.893	79%	0.789	S	S	*	*				-155.6	154.1	122.2	-101.7	-22.2	0	0	0	111.2
762	H	22.7	Very low	25.4	Very low	170 Å²	170	151.1 Å²	151.1	79%	0.787	78%	0.782	S	S	*	*			trans	-95.9	-177.9	-178.3	-90.3	-78.4	0	0	0	112.1
763	S	23.4	Very low	25.5	Very low	97 Å²	97	153.2 Å²	153.2	68%	0.678	78%	0.782	S	S	*	*			trans	72.3	110.6	159.7	60.2	0	0	0	0	118.6
764	N	22.5	Very low	25.2	Very low	147 Å²	147	154 Å²	154	79%	0.786	78%	0.776	S	S	*	*				46.2	115.6	116.7	-46.4	-2.8	0	0	0	117.5
765	H	28.5	Very low	25.3	Very low	172 Å²	172	151.8 Å²	151.8	80%	0.796	77%	0.773	S	S	*	*				-147.2	138.3	92.5	-125.9	-89.7	0	0	0	112.4
766	S	22.6	Very low	25.1	Very low	92 Å²	92	150.8 Å²	150.8	64%	0.643	77%	0.773	S	S	*	*			trans	-88.9	141.3	160.6	53.1	0	0	0	0	108.8
767	D	30.2	Very low	25.4	Very low	159 Å²	159	147.9 Å²	147.9	85%	0.85	77%	0.769	S	S	*	*			trans	-131.5	145.5	149.3	-89.5	-50.1	0	0	0	108.9
768	Y	21.6	Very low	25.3	Very low	210 Å²	210	148.9 Å²	148.9	82%	0.824	76%	0.763	S	S	*	*			trans	-156.4	125.3	-157.5	-160	-79.4	0	0	0	108.2
769	I	32.3	Very low	25.6	Very low	160 Å²	160	150.1 Å²	150.1	82%	0.821	76%	0.761	S	S	*	*			trans	-177.8	150.6	151.9	-100.6	151.7	0	0	0	110.9
770	P	34.6	Very low	25.7	Very low	94 Å²	94	145.7 Å²	145.7	61%	0.61	75%	0.747	S	S	*	*			trans	-114.3	-135	-165.7	43.5	-32.7	0	0	0	113.5
771	F	24.5	Very low	26	Very low	172 Å²	172	144.9 Å²	144.9	75%	0.754	74%	0.743	S	S	*	*			trans	85.9	146.4	-179.3	-68.8	-100.2	0	0	0	116.4
772	H	26.3	Very low	26.1	Very low	142 Å²	142	144.1 Å²	144.1	66%	0.657	74%	0.739	S	S	*	*			cis	-175.3	161.7	-31.7	-128	-94.3	0	0	0	107.9
773	Q	25.1	Very low	26.2	Very low	160 Å²	160	145.1 Å²	145.1	75%	0.748	75%	0.745	S	S	*	*			trans	64.9	167.6	156.3	-71.7	172.2	-39.5	0	0	118.8
774	Q	23.3	Very low	26.4	Very low	148 Å²	148	145.9 Å²	145.9	69%	0.692	75%	0.75	S	S	*	*			cis	-168.6	169.9	-42.2	-156.1	163.5	-0.1	0	0	109
775	N	26.6	Very low	26.6	Very low	134 Å²	134	146.6 Å²	146.6	72%	0.717	75%	0.754	S	S	*	*			trans	76.5	138.9	172.4	-47.9	-30.3	0	0	0	115.4
776	N	21.6	Very low	26.3	Very low	152 Å²	152	146.4 Å²	146.4	81%	0.813	75%	0.753	S	S	*	*			cis	96.6	97.3	25.1	-72.6	12.8	0	0	0	115.4
777	T	28.7	Very low	26.5	Very low	122 Å²	122	151.6 Å²	151.6	75%	0.748	77%	0.767	S	S	*	*			trans	-163.8	138.8	145.4	26.3	0	0	0	0	105.9
778	E	23.9	Very low	26.1	Very low	169 Å²	169	153.3 Å²	153.3	79%	0.79	76%	0.763	S	S	*	*				53.1	132.3	76.4	-56.6	175.9	176.4	0	0	112.7
779	N	25.6	Very low	26.2	Very low	137 Å²	137	150.3 Å²	150.3	73%	0.733	76%	0.757	S	S	*	*			cis	-161.7	-175.9	-13.6	-123.6	30.4	0	0	0	106.9
780	D	26.9	Very low	25.8	Very low	113 Å²	113	149.6 Å²	149.6	60%	0.604	75%	0.754	S	S	*	*			cis	-165.5	174	13.9	-141.4	-38.8	0	0	0	112.8
781	N	28.5	Very low	25.4	Very low	125 Å²	125	153 Å²	153	67%	0.668	76%	0.76	S	S	*	*			trans	69.5	148.6	145.3	-77.9	-54	0	0	0	125.2
782	N	29.5	Very low	25.4	Very low	151 Å²	151	150.4 Å²	150.4	81%	0.807	76%	0.758	S	S	*	*			trans	79.1	84.6	156.2	-64.2	-16.7	0	0	0	120.7
783	Q	24.2	Very low	25.4	Very low	192 Å²	192	149.4 Å²	149.4	90%	0.897	76%	0.764	S	S	*	*			trans	-58.5	155.3	154.8	-56.6	154.8	-44.9	0	0	112.5
784	S	28.5	Very low	25.5	Very low	113 Å²	113	148.1 Å²	148.1	79%	0.79	77%	0.767	S	S	*	*			trans	-164.3	130.5	133.1	31.7	0	0	0	0	113.2
785	N	25.2	Very low	25.5	Very low	161 Å²	161	151.3 Å²	151.3	86%	0.861	78%	0.779	S	S	*	*			trans	46	106.5	160.1	-63.3	7.2	0	0	0	120.3
786	E	23.2	Very low	25.3	Very low	169 Å²	169	150.8 Å²	150.8	79%	0.79	79%	0.785	S	S	*	*			trans	-56.7	143.7	152.5	-54.3	164	134.7	0	0	111.4
787	Q	26	Very low	25.3	Very low	201 Å²	201	148.6 Å²	148.6	94%	0.939	78%	0.781	S	S	*	*			trans	-140.5	113.1	149.8	-116	-179.9	-7.9	0	0	108.3
788	Y	22.4	Very low	25.1	Very low	195 Å²	195	149 Å²	149	77%	0.765	78%	0.784	S	S	*	*			trans	-85.7	151.2	-179.3	-101.1	-108.8	0	0	0	111.4
789	E	23.1	Very low	25.2	Very low	146 Å²	146	148 Å²	148	68%	0.682	78%	0.784	S	S	*	*			trans	55.4	108.7	158.1	-61.9	-171.4	154.9	0	0	119.4	K791	E789-K791 IonicContact OE1-NZ 2.84Å
790	D	25.4	Very low	25.2	Very low	145 Å²	145	147.3 Å²	147.3	78%	0.775	79%	0.789	S	S	*	*				-137.1	135.7	105.4	-164.9	-5.1	0	0	0	110.1
791	K	25.9	Very low	25.2	Very low	167 Å²	167	144.9 Å²	144.9	73%	0.726	79%	0.791	S	S	*	*			trans	-112	80.2	-178.6	-78.3	175.5	-178.2	148.7	0	109.7	E789 P793	E789-K791 IonicContact OE1-NZ 2.84Å; K791-P793 WeakPolarHBondContact O-CD 3.33Å
792	T	24.7	Very low	25.2	Very low	116 Å²	116	143.3 Å²	143.3	71%	0.712	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-69.3	120	170.9	48.1	0	0	0	0	110.5	T794	T792-T794 PolarHBondContact O-N 2.84Å
793	P	26.2	Very low	25	Very low	121 Å²	121	144.1 Å²	144.1	79%	0.786	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-75.8	120.3	-176.2	28.7	-33.5	0	0	0	111.1	K791 K795	K791-P793 WeakPolarHBondContact O-CD 3.33Å; P793-K795 PolarHBondContact O-N 2.86Å
794	T	26.3	Very low	25.4	Very low	134 Å²	134	139 Å²	139	82%	0.822	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-68	128.3	178.3	27.6	0	0	0	0	111.7	T792 C796	T792-T794 PolarHBondContact O-N 2.84Å; T794-C796 PolarHBondContact O-N 3.22Å
795	K	23.8	Very low	25.7	Very low	214 Å²	214	138 Å²	138	93%	0.93	77%	0.765	S	S	*	*			trans	-66.4	101.4	-176.9	-64.3	172.7	179.7	174.3	0	111.7	P793	P793-K795 PolarHBondContact O-N 2.86Å
796	C	21.2	Very low	26.4	Very low	124 Å²	124	136.1 Å²	136.1	84%	0.838	76%	0.755	S	S	*	*			trans	-73.8	134.6	164.6	-73.6	0	0	0	0	110.8	T794	T794-C796 PolarHBondContact O-N 3.22Å
797	S	23.4	Very low	26.8	Very low	105 Å²	105	132.9 Å²	132.9	73%	0.734	74%	0.743	S	S	*	*			trans	-75.5	142.3	-172.7	-168.6	0	0	0	0	113.3	N799	S797-N799 VanDerWaalsContact C-N 3.34Å; S797-N799 PolarHBondContact O-N 2.88Å
798	T	23.2	Very low	27.2	Very low	131 Å²	131	131 Å²	131	80%	0.804	73%	0.733	S	S	*	*			trans	-80.4	68.9	-177.2	53.4	0	0	0	0	112.9	S800	T798-S800 PolarHBondContact O-N 3.02Å
799	N	27.2	Very low	28.1	Very low	148 Å²	148	131.5 Å²	131.5	79%	0.791	73%	0.734	S	S	*	*			trans	-90.5	87.7	168	-82	6.9	0	0	0	110.5	S797 G801	S797-N799 VanDerWaalsContact C-N 3.34Å; S797-N799 PolarHBondContact O-N 2.88Å; N799-G801 PolarHBondContact O-N 2.99Å
800	S	24.3	Very low	29	Very low	122 Å²	122	129.6 Å²	129.6	85%	0.853	73%	0.728	S	S	*	*			trans	-73.7	58.6	175.1	45.8	0	0	0	0	113	T798 S802	T798-S800 PolarHBondContact O-N 3.02Å; S800-S802 PolarHBondContact O-N 2.82Å
801	G	26.5	Very low	30.1	Very low	62 Å²	62	126.2 Å²	126.2	64%	0.639	71%	0.709	S	S	*	*			trans	-59.9	131.6	169.6	0	0	0	0	0	111	N799 L803	N799-G801 PolarHBondContact O-N 2.99Å; G801-L803 PolarHBondContact O-N 3.21Å; G801-L803 VanDerWaalsContact O-N 3.12Å
802	S	28.5	Very low	31.7	Very low	93 Å²	93	122.4 Å²	122.4	65%	0.65	70%	0.696	S	S	*	*			trans	-66.9	111.1	-175.9	50.1	0	0	0	0	111.8	S800 L804	S800-S802 PolarHBondContact O-N 2.82Å; S802-L804 PolarHBondContact O-N 2.7Å
803	L	26.8	Very low	32.8	Very low	168 Å²	168	120.1 Å²	120.1	88%	0.88	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.3	0.1	-173.8	-94.5	165.8	0	0	0	116.8	G801	G801-L803 PolarHBondContact O-N 3.21Å; G801-L803 VanDerWaalsContact O-N 3.12Å
804	L	31.7	Very low	34.6	Very low	83 Å²	83	123 Å²	123	44%	0.435	68%	0.678	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.9	-11.6	-172.5	-94.8	91.4	0	0	0	116.3	S802 N806 L807 L831	S802-L804 PolarHBondContact O-N 2.7Å; L804-N806 PolarHBondContact O-N 2.61Å; L804-L807 HydrophobicContact CG-CD1 4.24Å; L804-L807 PolarHBondContact O-N 3.36Å; L804-L831 HydrophobicContact CD1-CD1 4.16Å; L804-L831 HydrophobicContact CD2-CD1 3.65Å
805	S	36.1	Very low	36.3	Very low	94 Å²	94	123.1 Å²	123.1	66%	0.657	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	-17.4	179.9	-49.7	0	0	0	0	113.9
806	N	39.5	Very low	38.5	Very low	120 Å²	120	114.7 Å²	114.7	64%	0.642	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.1	0	-176	-72.8	-2	0	0	0	114.8	L804 W809	L804-N806 PolarHBondContact O-N 2.61Å; N806-W809 VanDerWaalsContact O-CD1 3.28Å; N806-W809 PolarHBondContact O-NE1 3.3Å
807	L	30.6	Very low	40.9	Very low	102 Å²	102	112.4 Å²	112.4	53%	0.534	62%	0.622	S	S	.	*	S	Bend	trans	-88	-12.9	179.4	-73.9	179.7	0	0	0	114.2	L804 W809 I810	L804-L807 HydrophobicContact CG-CD1 4.24Å; L804-L807 PolarHBondContact O-N 3.36Å; L807-W809 PolarHBondContact O-N 2.98Å; L807-W809 VanDerWaalsContact O-N 3.1Å; L807-I810 HydrophobicContact CD2-CD1 4.17Å; L807-I810 PolarHBondContact O-N 2.94Å
808	E	35.6	Very low	42.8	Very low	160 Å²	160	112.9 Å²	112.9	75%	0.748	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	-5.9	-169.8	-149.6	162.2	-119.9	0	0	114.7
809	W	39.8	Very low	44.3	Very low	207 Å²	207	110.6 Å²	110.6	78%	0.784	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.1	-2.8	177.8	66.7	-86.5	0	0	0	114.8	N806 L807	N806-W809 VanDerWaalsContact O-CD1 3.28Å; N806-W809 PolarHBondContact O-NE1 3.3Å; L807-W809 PolarHBondContact O-N 2.98Å; L807-W809 VanDerWaalsContact O-N 3.1Å
810	I	43	Very low	45.6	Very low	105 Å²	105	108.5 Å²	108.5	54%	0.538	59%	0.592	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.5	-25.6	-175.3	-62.8	-175.2	0	0	0	112.5	L807	L807-I810 HydrophobicContact CD2-CD1 4.17Å; L807-I810 PolarHBondContact O-N 2.94Å
811	I	49.1	Very low	47.9	Very low	75 Å²	75	105.6 Å²	105.6	39%	0.385	57%	0.565	S	S	.	*			trans	-128.1	113.1	-176.4	-53.5	179.2	0	0	0	109.8	E813 L816 L824	I811-E813 VanDerWaalsContact C-N 3.34Å; I811-E813 PolarHBondContact O-N 3.08Å; I811-L816 HydrophobicContact CG2-CD1 3.99Å; I811-L816 HydrophobicContact CG2-CD2 4.04Å; I811-L824 HydrophobicContact CD1-CD1 4.18Å; I811-L824 HydrophobicContact CD1-CD2 4.3Å; I811-L824 HydrophobicContact CG2-CD1 4.23Å
812	D	58.4	Low	49.6	Very low	86 Å²	86	104.7 Å²	104.7	46%	0.46	55%	0.551	S	S	.	*			trans	-74	90.7	165.9	179.9	18.1	0	0	0	109.9	K814 N815	D812-K814 PolarHBondContact O-N 2.97Å; D812-K814 WeakPolarHBondContact OD1-CB 3.48Å; D812-K814 PolarHBondContact OD1-N 3.14Å; D812-N815 PolarHBondContact O-N 2.92Å; D812-N815 PolarHBondContact OD2-ND2 3.28Å
813	E	48.4	Very low	50.7	Low	68 Å²	68	104 Å²	104	32%	0.318	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-18.6	-178.9	-62.3	-176.7	-168.3	0	0	113.8	I811 N815 Q821 R828	I811-E813 VanDerWaalsContact C-N 3.34Å; I811-E813 PolarHBondContact O-N 3.08Å; E813-N815 VanDerWaalsContact C-N 3.33Å; E813-Q821 PolarHBondContact O-NE2 3.22Å; E813-R828 IonicContact OE1-CZ 2.59Å; E813-R828 VanDerWaalsContact OE1-CZ 3.25Å; E813-R828 IonicContact OE1-NH1 2.7Å; E813-R828 PolarHBondContact OE1-NH1 3.16Å; E813-R828 IonicContact OE1-NH2 3.6Å; E813-R828 PolarHBondContact OE1-NH2 3.43Å; E813-R828 IonicContact OE2-NH1 2.7Å
814	K	63.3	Low	52.6	Low	183 Å²	183	98 Å²	98	80%	0.796	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-27.4	178.7	-62.6	169.9	-171.3	156.4	0	113.3	D812	D812-K814 PolarHBondContact O-N 2.97Å; D812-K814 WeakPolarHBondContact OD1-CB 3.48Å; D812-K814 PolarHBondContact OD1-N 3.14Å
815	N	62.7	Low	54.4	Low	135 Å²	135	101.3 Å²	101.3	72%	0.722	52%	0.521	S	S	*	.	S	Bend	trans	-99.6	-0.9	-178.3	-77.1	-53.2	0	0	0	112.9	D812 E813	D812-N815 PolarHBondContact O-N 2.92Å; D812-N815 PolarHBondContact OD2-ND2 3.28Å; E813-N815 VanDerWaalsContact C-N 3.33Å
816	L	69.1	Low	55.5	Low	38 Å²	38	100.7 Å²	100.7	20%	0.199	51%	0.508	C	S	.	.	S	Bend	trans	-83.1	137.4	-177.6	-145.6	72.9	0	0	0	111.8	I811 M820 L824	I811-L816 HydrophobicContact CG2-CD1 3.99Å; I811-L816 HydrophobicContact CG2-CD2 4.04Å; L816-M820 HydrophobicContact CD1-SD 4.49Å; L816-M820 HydrophobicContact CD2-CB 3.59Å; L816-M820 HydrophobicContact CG-CB 3.81Å; L816-M820 HydrophobicContact CG-SD 4.47Å; L816-L824 HydrophobicContact CD2-CD1 3.45Å; L816-L824 VanDerWaalsContact CD2-CD1 3.45Å; L816-L824 HydrophobicContact CD2-CG 4.44Å
817	P	71	Confident	56.1	Low	75 Å²	75	99.7 Å²	99.7	49%	0.487	50%	0.502	S	S	.	.			trans	-56.8	142.4	174.9	-27.2	35.7	0	0	0	112.8	S819 M820 Q821	P817-S819 PolarHBondContact O-N 2.92Å; P817-M820 PolarHBondContact O-N 2.96Å; P817-Q821 PolarHBondContact O-N 3.1Å
818	N	64	Low	58	Low	115 Å²	115	99.3 Å²	99.3	62%	0.615	49%	0.493	S	S	*	.	H	α-helix	trans	-52.1	-30.7	-174.6	-62.7	-61.8	0	0	0	113.7	A822	N818-A822 WeakPolarHBondContact O-CB 3.42Å; N818-A822 PolarHBondContact O-N 3.43Å
819	S	55	Low	59.1	Low	83 Å²	83	98.1 Å²	98.1	58%	0.58	48%	0.483	S	S	*	.	H	α-helix	trans	-65.2	-48.5	175.7	46.8	0	0	0	0	112.6	P817 Q821 A822 C823	P817-S819 PolarHBondContact O-N 2.92Å; S819-Q821 VanDerWaalsContact C-N 3.35Å; S819-A822 WeakPolarHBondContact O-CB 3.33Å; S819-A822 PolarHBondContact O-N 3.3Å; S819-C823 PolarHBondContact O-N 3.49Å; S819-C823 PolarHBondContact O-SG 2.99Å
820	M	55.2	Low	59.3	Low	105 Å²	105	93.7 Å²	93.7	52%	0.517	47%	0.474	S	S	.	.	H	α-helix	trans	-69.9	-34.6	176.7	-63.9	-175.8	74.8	0	0	111.6	L816 P817 A822 C823 L824	L816-M820 HydrophobicContact CD1-SD 4.49Å; L816-M820 HydrophobicContact CD2-CB 3.59Å; L816-M820 HydrophobicContact CG-CB 3.81Å; L816-M820 HydrophobicContact CG-SD 4.47Å; P817-M820 PolarHBondContact O-N 2.96Å; M820-A822 VanDerWaalsContact C-N 3.3Å; M820-A822 PolarHBondContact O-N 2.9Å; M820-C823 WeakPolarHBondContact O-CB 3.36Å; M820-C823 PolarHBondContact O-N 3.27Å; M820-L824 PolarHBondContact O-N 3.32Å
821	Q	72	Confident	59.6	Low	61 Å²	61	93.3 Å²	93.3	29%	0.285	47%	0.473	S	S	.	.	H	α-helix	trans	-63.7	-36.3	173.6	-167.9	168.1	50.9	0	0	111.7	E813 P817 S819 R825	E813-Q821 PolarHBondContact O-NE2 3.22Å; P817-Q821 PolarHBondContact O-N 3.1Å; S819-Q821 VanDerWaalsContact C-N 3.35Å; Q821-R825 PolarHBondContact O-N 3.38Å; Q821-R825 VanDerWaalsContact O-N 3.11Å
822	A	61.9	Low	60	Low	42 Å²	42	96.8 Å²	96.8	35%	0.347	49%	0.487	S	S	.	.	H	α-helix	trans	-65	-45.8	169.8	0	0	0	0	0	111.9	N818 S819 M820 L824 R825 E826	N818-A822 WeakPolarHBondContact O-CB 3.42Å; N818-A822 PolarHBondContact O-N 3.43Å; S819-A822 WeakPolarHBondContact O-CB 3.33Å; S819-A822 PolarHBondContact O-N 3.3Å; M820-A822 VanDerWaalsContact C-N 3.3Å; M820-A822 PolarHBondContact O-N 2.9Å; A822-L824 VanDerWaalsContact C-N 3.33Å; A822-L824 PolarHBondContact O-N 3.18Å; A822-R825 WeakPolarHBondContact O-CB 3.5Å; A822-R825 PolarHBondContact O-N 3Å; A822-E826 WeakPolarHBondContact O-CG 3.49Å; A822-E826 PolarHBondContact O-N 3.19Å
823	C	51.4	Low	59.4	Low	79 Å²	79	98.1 Å²	98.1	53%	0.534	49%	0.49	S	S	.	.	H	α-helix	trans	-57.8	-42.2	176.1	-63.8	0	0	0	0	112.9	S819 M820 R825 E826 L827	S819-C823 PolarHBondContact O-N 3.49Å; S819-C823 PolarHBondContact O-SG 2.99Å; M820-C823 WeakPolarHBondContact O-CB 3.36Å; M820-C823 PolarHBondContact O-N 3.27Å; C823-R825 VanDerWaalsContact C-N 3.32Å; C823-R825 PolarHBondContact O-N 3.3Å; C823-E826 PolarHBondContact O-N 2.96Å; C823-L827 WeakPolarHBondContact O-CB 3.43Å; C823-L827 WeakPolarHBondContact O-CG 3.11Å; C823-L827 PolarHBondContact O-N 3.11Å
824	L	66.4	Low	58.8	Low	43 Å²	43	102.7 Å²	102.7	23%	0.225	51%	0.509	C	S	.	.	H	α-helix	trans	-65.1	-33.7	174.8	-75.8	174.5	0	0	0	112.9	I811 L816 M820 A822 R828	I811-L824 HydrophobicContact CD1-CD1 4.18Å; I811-L824 HydrophobicContact CD1-CD2 4.3Å; I811-L824 HydrophobicContact CG2-CD1 4.23Å; L816-L824 HydrophobicContact CD2-CD1 3.45Å; L816-L824 VanDerWaalsContact CD2-CD1 3.45Å; L816-L824 HydrophobicContact CD2-CG 4.44Å; M820-L824 PolarHBondContact O-N 3.32Å; A822-L824 VanDerWaalsContact C-N 3.33Å; A822-L824 PolarHBondContact O-N 3.18Å; L824-R828 PolarHBondContact O-N 2.77Å
825	R	70.4	Confident	57.3	Low	152 Å²	152	99 Å²	99	57%	0.574	50%	0.504	S	S	*	.	H	α-helix	trans	-65.9	-47.9	174.9	-170.9	-170.8	70.6	-179.9	3.2	111.4	Q821 A822 C823 L827 R828 Y829	Q821-R825 PolarHBondContact O-N 3.38Å; Q821-R825 VanDerWaalsContact O-N 3.11Å; A822-R825 WeakPolarHBondContact O-CB 3.5Å; A822-R825 PolarHBondContact O-N 3Å; C823-R825 VanDerWaalsContact C-N 3.32Å; C823-R825 PolarHBondContact O-N 3.3Å; R825-L827 VanDerWaalsContact C-N 3.34Å; R825-L827 PolarHBondContact O-N 3.49Å; R825-R828 PolarHBondContact O-N 2.59Å; R825-Y829 WeakPolarHBondContact O-CB 3.47Å; R825-Y829 PolarHBondContact O-N 3.11Å
826	E	57.8	Low	55.8	Low	81 Å²	81	99 Å²	99	38%	0.379	51%	0.509	S	S	.	.	H	α-helix	trans	-64.8	-38.5	177.8	-56.9	-44	128.7	0	0	111.6	A822 C823 Y829 L830	A822-E826 WeakPolarHBondContact O-CG 3.49Å; A822-E826 PolarHBondContact O-N 3.19Å; C823-E826 PolarHBondContact O-N 2.96Å; E826-Y829 PolarHBondContact O-N 2.68Å; E826-L830 WeakPolarHBondContact O-CB 3.02Å; E826-L830 WeakPolarHBondContact O-CG 3.38Å; E826-L830 PolarHBondContact O-N 2.83Å
827	L	53.1	Low	53.8	Low	98 Å²	98	104.5 Å²	104.5	51%	0.513	54%	0.537	S	S	.	.	H	α-helix	trans	-63.4	-43.4	173.2	-74.9	169.9	0	0	0	112.5	C823 R825 Y829 L831	C823-L827 WeakPolarHBondContact O-CB 3.43Å; C823-L827 WeakPolarHBondContact O-CG 3.11Å; C823-L827 PolarHBondContact O-N 3.11Å; R825-L827 VanDerWaalsContact C-N 3.34Å; R825-L827 PolarHBondContact O-N 3.49Å; L827-Y829 VanDerWaalsContact C-N 3.34Å; L827-Y829 PolarHBondContact O-N 2.98Å; L827-L831 WeakPolarHBondContact O-CB 3.47Å; L827-L831 WeakPolarHBondContact O-CD1 3.38Å; L827-L831 VanDerWaalsContact O-CG 3.24Å; L827-L831 WeakPolarHBondContact O-CG 3.4Å; L827-L831 PolarHBondContact O-N 3.3Å; L827-L831 VanDerWaalsContact O-N 3.07Å
828	R	70.5	Confident	51.6	Low	95 Å²	95	108.8 Å²	108.8	36%	0.358	55%	0.55	S	S	.	*	H	α-helix	trans	-61.6	-41.7	172.6	-89.2	-161.3	-178.1	90.7	-14.8	111.7	E813 L824 R825 L831 Q832	E813-R828 IonicContact OE1-CZ 2.59Å; E813-R828 VanDerWaalsContact OE1-CZ 3.25Å; E813-R828 IonicContact OE1-NH1 2.7Å; E813-R828 PolarHBondContact OE1-NH1 3.16Å; E813-R828 IonicContact OE1-NH2 3.6Å; E813-R828 PolarHBondContact OE1-NH2 3.43Å; E813-R828 IonicContact OE2-NH1 2.7Å; L824-R828 PolarHBondContact O-N 2.77Å; R825-R828 PolarHBondContact O-N 2.59Å; R828-L831 PolarHBondContact O-N 2.86Å; R828-Q832 WeakPolarHBondContact O-CB 3.5Å; R828-Q832 WeakPolarHBondContact O-CG 3.13Å; R828-Q832 PolarHBondContact O-N 3.02Å
829	Y	59	Low	49.9	Very low	134 Å²	134	108.3 Å²	108.3	53%	0.525	55%	0.553	S	S	.	*	H	α-helix	trans	-60.7	-51.7	178.2	-178	-94.5	0	0	0	111.5	R825 E826 L827 L831 Q832 H833	R825-Y829 WeakPolarHBondContact O-CB 3.47Å; R825-Y829 PolarHBondContact O-N 3.11Å; E826-Y829 PolarHBondContact O-N 2.68Å; L827-Y829 VanDerWaalsContact C-N 3.34Å; L827-Y829 PolarHBondContact O-N 2.98Å; Y829-L831 VanDerWaalsContact C-N 3.27Å; Y829-L831 PolarHBondContact O-N 3.16Å; Y829-Q832 PolarHBondContact O-N 3.3Å; Y829-H833 AromaticContact CD2-CD2 3.37Å; Y829-H833 WeakPolarHBondContact CD2-CD2 3.4Å; Y829-H833 AromaticContact CD2-NE2 3.72Å; Y829-H833 AromaticContact CE2-CD2 3.24Å; Y829-H833 WeakPolarHBondContact CE2-CD2 3.29Å; Y829-H833 AromaticContact CE2-NE2 3.46Å; Y829-H833 WeakPolarHBondContact CE2-NE2 3.45Å; Y829-H833 AromaticContact CG-CD2 3.85Å; Y829-H833 AromaticContact CZ-CD2 3.62Å; Y829-H833 WeakPolarHBondContact O-CB 3.46Å; Y829-H833 PolarHBondContact O-CD2 3.41Å; Y829-H833 VanDerWaalsContact O-CD2 3.27Å; Y829-H833 PolarHBondContact O-N 3.09Å
830	L	44.3	Very low	48.4	Very low	115 Å²	115	115 Å²	115	60%	0.602	57%	0.568	S	S	*	*	H	α-helix	trans	-61.4	-32.7	178.2	-69.7	168.3	0	0	0	113.1	E826 K834	E826-L830 WeakPolarHBondContact O-CB 3.02Å; E826-L830 WeakPolarHBondContact O-CG 3.38Å; E826-L830 PolarHBondContact O-N 2.83Å; L830-K834 PolarHBondContact O-N 3.02Å
831	L	48.8	Very low	46.9	Very low	96 Å²	96	116.8 Å²	116.8	50%	0.503	58%	0.578	S	S	.	*	H	α-helix	trans	-79.8	-31.1	177.6	-70.2	170.3	0	0	0	113.4	L804 L827 R828 Y829	L804-L831 HydrophobicContact CD1-CD1 4.16Å; L804-L831 HydrophobicContact CD2-CD1 3.65Å; L827-L831 WeakPolarHBondContact O-CB 3.47Å; L827-L831 WeakPolarHBondContact O-CD1 3.38Å; L827-L831 VanDerWaalsContact O-CG 3.24Å; L827-L831 WeakPolarHBondContact O-CG 3.4Å; L827-L831 PolarHBondContact O-N 3.3Å; L827-L831 VanDerWaalsContact O-N 3.07Å; R828-L831 PolarHBondContact O-N 2.86Å; Y829-L831 VanDerWaalsContact C-N 3.27Å; Y829-L831 PolarHBondContact O-N 3.16Å
832	Q	57.8	Low	44.7	Very low	148 Å²	148	121.5 Å²	121.5	69%	0.692	60%	0.599	S	S	*	*	H	α-helix	trans	-76.3	-36.3	173.3	-75.2	-177.9	-13.5	0	0	112.2	R828 Y829 K834	R828-Q832 WeakPolarHBondContact O-CB 3.5Å; R828-Q832 WeakPolarHBondContact O-CG 3.13Å; R828-Q832 PolarHBondContact O-N 3.02Å; Y829-Q832 PolarHBondContact O-N 3.3Å; Q832-K834 VanDerWaalsContact C-N 3.34Å; Q832-K834 PolarHBondContact O-N 3.42Å
833	H	45.7	Very low	43	Very low	114 Å²	114	126.8 Å²	126.8	53%	0.528	62%	0.617	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.1	36.6	179.8	-61.8	-67.6	0	0	0	112.9	Y829	Y829-H833 AromaticContact CD2-CD2 3.37Å; Y829-H833 WeakPolarHBondContact CD2-CD2 3.4Å; Y829-H833 AromaticContact CD2-NE2 3.72Å; Y829-H833 AromaticContact CE2-CD2 3.24Å; Y829-H833 WeakPolarHBondContact CE2-CD2 3.29Å; Y829-H833 AromaticContact CE2-NE2 3.46Å; Y829-H833 WeakPolarHBondContact CE2-NE2 3.45Å; Y829-H833 AromaticContact CG-CD2 3.85Å; Y829-H833 AromaticContact CZ-CD2 3.62Å; Y829-H833 WeakPolarHBondContact O-CB 3.46Å; Y829-H833 PolarHBondContact O-CD2 3.41Å; Y829-H833 VanDerWaalsContact O-CD2 3.27Å; Y829-H833 PolarHBondContact O-N 3.09Å
834	K	35.5	Very low	41.7	Very low	165 Å²	165	129 Å²	129	72%	0.717	62%	0.624	S	S	*	*			trans	-61	122.1	173.8	-165.4	176.3	-172.5	180	0	109.1	L830 Q832 T836	L830-K834 PolarHBondContact O-N 3.02Å; Q832-K834 VanDerWaalsContact C-N 3.34Å; Q832-K834 PolarHBondContact O-N 3.42Å; K834-T836 PolarHBondContact O-N 3.09Å
835	P	30.7	Very low	39.7	Very low	104 Å²	104	133 Å²	133	68%	0.675	64%	0.644	S	S	*	*			trans	-62	134	-172.6	22.8	-33.1	0	0	0	111.4	I837	P835-I837 VanDerWaalsContact C-N 3.33Å; P835-I837 PolarHBondContact O-N 2.87Å
836	T	31.9	Very low	37.5	Very low	135 Å²	135	133.3 Å²	133.3	83%	0.828	66%	0.655	S	S	*	*			trans	-73.3	83.4	-179	18.8	0	0	0	0	111.1	K834 H838	K834-T836 PolarHBondContact O-N 3.09Å; T836-H838 PolarHBondContact O-N 2.95Å
837	I	27.1	Very low	35.8	Very low	155 Å²	155	140 Å²	140	80%	0.795	68%	0.677	S	S	*	*			trans	-61	105.2	165.2	-58.1	172.4	0	0	0	107.3	P835 P839	P835-I837 VanDerWaalsContact C-N 3.33Å; P835-I837 PolarHBondContact O-N 2.87Å; I837-P839 WeakPolarHBondContact O-CD 3.44Å
838	H	25.2	Very low	34.4	Very low	165 Å²	165	139.7 Å²	139.7	76%	0.764	68%	0.683	S	S	*	*			trans	-64.4	119.4	175.6	-104.9	-89.5	0	0	0	109.1	T836 Y840	T836-H838 PolarHBondContact O-N 2.95Å; H838-Y840 PolarHBondContact O-N 2.78Å
839	P	28	Very low	32.2	Very low	105 Å²	105	141.2 Å²	141.2	68%	0.682	71%	0.705	S	S	*	*			trans	-67.5	124.1	176.1	27.6	-32.7	0	0	0	108.9	I837 I841	I837-P839 WeakPolarHBondContact O-CD 3.44Å; P839-I841 PolarHBondContact O-N 2.86Å
840	Y	23.1	Very low	30.5	Very low	223 Å²	223	142.5 Å²	142.5	88%	0.875	72%	0.72	S	S	*	*			trans	-59.1	109	174.2	-109.3	-106.7	0	0	0	109.3	H838 H842	H838-Y840 PolarHBondContact O-N 2.78Å; Y840-H842 PolarHBondContact O-N 3.08Å
841	I	25.3	Very low	29.5	Very low	143 Å²	143	142.9 Å²	142.9	73%	0.733	73%	0.727	S	S	*	*			trans	-73.7	99.9	176.9	-59.4	179.7	0	0	0	107.3	P839 Q843	P839-I841 PolarHBondContact O-N 2.86Å; I841-Q843 HydrophobicContact CG2-CG 4.23Å; I841-Q843 PolarHBondContact O-N 2.96Å
842	H	24.3	Very low	28.3	Very low	160 Å²	160	146.5 Å²	146.5	74%	0.741	75%	0.746	S	S	*	*			trans	-60.7	86.3	164.6	-107.5	-96.5	0	0	0	109.1	Y840 N844	Y840-H842 PolarHBondContact O-N 3.08Å; H842-N844 PolarHBondContact O-N 3.21Å
843	Q	27	Very low	26.6	Very low	153 Å²	153	145.4 Å²	145.4	72%	0.715	75%	0.752	S	S	*	*			trans	-67.3	94.2	160.6	-73.1	-165.3	-3.6	0	0	106.9	I841 I845	I841-Q843 HydrophobicContact CG2-CG 4.23Å; I841-Q843 PolarHBondContact O-N 2.96Å; Q843-I845 PolarHBondContact O-N 3.32Å
844	N	23.8	Very low	25.8	Very low	126 Å²	126	143.1 Å²	143.1	67%	0.674	76%	0.759	S	S	*	*			trans	-66.4	77.2	171.2	-72.3	-22.3	0	0	0	109	H842 I846	H842-N844 PolarHBondContact O-N 3.21Å; N844-I846 VanDerWaalsContact C-N 3.29Å; N844-I846 PolarHBondContact O-N 3.39Å
845	I	25	Very low	25.2	Very low	126 Å²	126	142.7 Å²	142.7	65%	0.646	77%	0.765	S	S	*	*			trans	-67.7	96.5	164.2	-62.8	179.5	0	0	0	105.5	Q843 R847	Q843-I845 PolarHBondContact O-N 3.32Å; I845-R847 HydrophobicContact CG2-CG 4.16Å; I845-R847 PolarHBondContact O-N 3.37Å
846	I	24.1	Very low	25.2	Very low	158 Å²	158	145 Å²	145	81%	0.81	77%	0.772	S	S	*	*			trans	-68.5	79.2	175	-54.3	172.3	0	0	0	107.8	N844	N844-I846 VanDerWaalsContact C-N 3.29Å; N844-I846 PolarHBondContact O-N 3.39Å
847	R	22.8	Very low	24.9	Very low	223 Å²	223	147.1 Å²	147.1	84%	0.842	77%	0.772	S	S	*	*			trans	-81.8	109.7	157.4	-84.5	-178.1	175.9	-164.5	-1.8	106.8	I845	I845-R847 HydrophobicContact CG2-CG 4.16Å; I845-R847 PolarHBondContact O-N 3.37Å
848	S	23.2	Very low	24.8	Very low	91 Å²	91	148.2 Å²	148.2	64%	0.636	77%	0.774	S	S	*	*			trans	-52.2	148.4	174.1	35	0	0	0	0	111	L850	S848-L850 PolarHBondContact O-N 2.88Å
849	P	24.3	Very low	24.8	Very low	126 Å²	126	146.3 Å²	146.3	82%	0.818	78%	0.776	S	S	*	*			trans	-59.4	113.5	174.1	-20.3	32.1	0	0	0	109.5	T851	P849-T851 PolarHBondContact O-N 3.34Å; P849-T851 VanDerWaalsContact O-N 3.08Å
850	L	22.2	Very low	24.6	Very low	161 Å²	161	147.6 Å²	147.6	84%	0.843	78%	0.776	S	S	*	*			trans	-71.7	102.7	167.3	-84.3	166.6	0	0	0	107.3	S848 L852	S848-L850 PolarHBondContact O-N 2.88Å; L850-L852 PolarHBondContact O-N 2.83Å
851	T	23.1	Very low	24.5	Very low	124 Å²	124	145.7 Å²	145.7	76%	0.761	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-52.4	117	175.9	48.4	0	0	0	0	110.3	P849 P853	P849-T851 PolarHBondContact O-N 3.34Å; P849-T851 VanDerWaalsContact O-N 3.08Å; T851-P853 VanDerWaalsContact O-CD 3.32Å; T851-P853 WeakPolarHBondContact O-CD 3.48Å
852	L	23.3	Very low	24.3	Very low	172 Å²	172	148.4 Å²	148.4	90%	0.901	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-69.5	124	161.7	-84.2	76.4	0	0	0	107.9	L850	L850-L852 PolarHBondContact O-N 2.83Å
853	P	23.8	Very low	24.2	Very low	125 Å²	125	146.2 Å²	146.2	81%	0.812	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-98.8	137.1	172.2	35	-26.4	0	0	0	111.1	T851	T851-P853 VanDerWaalsContact O-CD 3.32Å; T851-P853 WeakPolarHBondContact O-CD 3.48Å
854	G	27.3	Very low	24	Very low	66 Å²	66	146.5 Å²	146.5	68%	0.68	78%	0.782	S	S	*	*			trans	101	69.4	157.9	0	0	0	0	0	116.8	N856	G854-N856 PolarHBondContact O-N 3.06Å
855	D	24.6	Very low	23.9	Very low	155 Å²	155	144.8 Å²	144.8	83%	0.829	79%	0.785	S	S	*	*			trans	-59.3	115.7	143.8	-71.3	-54.7	0	0	0	108.4
856	N	29.1	Very low	23.7	Very low	154 Å²	154	144 Å²	144	82%	0.824	79%	0.791	S	S	*	*			trans	-143.3	89.2	170.2	-102.5	-42.2	0	0	0	109.1	G854 Q858	G854-N856 PolarHBondContact O-N 3.06Å; N856-Q858 PolarHBondContact O-N 3.26Å
857	H	26.1	Very low	23.7	Very low	179 Å²	179	143.1 Å²	143.1	83%	0.829	79%	0.793	S	S	*	*			trans	-66	112.1	174.3	-69.3	-83.3	0	0	0	111
858	Q	25.5	Very low	23.5	Very low	178 Å²	178	137.6 Å²	137.6	83%	0.832	79%	0.788	S	S	*	*			trans	-134.3	117.5	143.4	-74.2	-157.5	-12.5	0	0	109.6	N856 I860	N856-Q858 PolarHBondContact O-N 3.26Å; Q858-I860 PolarHBondContact O-N 3.2Å
859	P	24.4	Very low	23.4	Very low	124 Å²	124	138.7 Å²	138.7	81%	0.805	80%	0.796	S	S	*	*			trans	-74.6	120.9	173.7	30.3	-31.7	0	0	0	109.4	E861	P859-E861 PolarHBondContact O-N 2.92Å
860	I	24.1	Very low	23.5	Very low	133 Å²	133	138.8 Å²	138.8	68%	0.682	80%	0.8	S	S	*	*			trans	-84.7	104.6	174.6	-58.6	177.7	0	0	0	108.2	Q858 Y862	Q858-I860 PolarHBondContact O-N 3.2Å; I860-Y862 HydrophobicContact CB-CE2 4.36Å; I860-Y862 HydrophobicContact CG2-CD2 3.98Å; I860-Y862 HydrophobicContact CG2-CE2 3.53Å; I860-Y862 PolarHBondContact O-N 3.43Å
861	E	20.7	Very low	23.4	Very low	182 Å²	182	136.4 Å²	136.4	85%	0.85	80%	0.796	S	S	*	*			trans	-66	116.6	172.1	-65.3	-174.8	127	0	0	110.5	P859	P859-E861 PolarHBondContact O-N 2.92Å
862	Y	21	Very low	23.5	Very low	200 Å²	200	140 Å²	140	78%	0.784	80%	0.801	S	S	*	*			trans	-100.7	115.2	163.6	-81.4	-80.7	0	0	0	109	I860	I860-Y862 HydrophobicContact CB-CE2 4.36Å; I860-Y862 HydrophobicContact CG2-CD2 3.98Å; I860-Y862 HydrophobicContact CG2-CE2 3.53Å; I860-Y862 PolarHBondContact O-N 3.43Å
863	P	24.1	Very low	23.6	Very low	115 Å²	115	139.2 Å²	139.2	75%	0.747	80%	0.798	S	S	*	*			trans	-77.5	140.8	-166.3	28.9	-35.4	0	0	0	113.5	A865	P863-A865 PolarHBondContact O-N 2.84Å
864	I	22	Very low	23.6	Very low	159 Å²	159	140.6 Å²	140.6	82%	0.815	80%	0.796	S	S	*	*			trans	-75.8	93.5	175.1	-57.8	173.1	0	0	0	109.2	S866	I864-S866 PolarHBondContact O-N 3.36Å; I864-S866 VanDerWaalsContact O-N 3.13Å
865	A	22.4	Very low	23.4	Very low	90 Å²	90	145.8 Å²	145.8	74%	0.744	80%	0.803	S	S	*	*			trans	-85.5	69.3	179.7	0	0	0	0	0	112.5	P863 T867	P863-A865 PolarHBondContact O-N 2.84Å; A865-T867 PolarHBondContact O-N 3.44Å
866	S	19.9	Very low	23.4	Very low	110 Å²	110	146 Å²	146	77%	0.769	80%	0.804	S	S	*	*			trans	-80	92	173.4	58.3	0	0	0	0	111.5	I864	I864-S866 PolarHBondContact O-N 3.36Å; I864-S866 VanDerWaalsContact O-N 3.13Å
867	T	23.5	Very low	23.2	Very low	139 Å²	139	145.3 Å²	145.3	85%	0.853	81%	0.805	S	S	*	*			trans	-100.3	140.8	171.9	48.5	0	0	0	0	112.1	A865	A865-T867 PolarHBondContact O-N 3.44Å
868	S	20.2	Very low	23.1	Very low	106 Å²	106	142.7 Å²	142.7	74%	0.741	80%	0.802	S	S	*	*			trans	-98.6	165.5	-172.3	52	0	0	0	0	113.1
869	S	21	Very low	23	Very low	114 Å²	114	141.2 Å²	141.2	80%	0.797	80%	0.799	S	S	*	*			trans	58.9	110.6	159.2	60.1	0	0	0	0	119
870	S	25.1	Very low	23.2	Very low	128 Å²	128	140.6 Å²	140.6	90%	0.895	80%	0.798	S	S	*	*				-145.1	141.1	117.1	70.2	0	0	0	0	110.2
871	S	19.9	Very low	23.1	Very low	111 Å²	111	143.5 Å²	143.5	78%	0.776	81%	0.806	S	S	*	*			trans	-110.6	137.9	178.2	49.7	0	0	0	0	110.4
872	K	26	Very low	23.3	Very low	199 Å²	199	141.6 Å²	141.6	87%	0.865	81%	0.806	S	S	*	*			trans	-172	155.1	164.8	-108.3	152.9	-171.5	177.4	0	110.7
873	L	25.8	Very low	23.4	Very low	157 Å²	157	140.1 Å²	140.1	82%	0.822	81%	0.806	S	S	*	*			trans	63.7	82.3	-175.7	-47.6	-178.2	0	0	0	111.4
874	I	22.8	Very low	23.3	Very low	153 Å²	153	141.5 Å²	141.5	79%	0.785	81%	0.813	S	S	*	*				70.2	129.8	64.4	-55.1	176.1	0	0	0	112.2
875	E	23.1	Very low	23.4	Very low	176 Å²	176	138.4 Å²	138.4	82%	0.822	81%	0.805	S	S	*	*			trans	-52.4	141.9	-170.5	-59.1	154.9	118	0	0	115.4
876	D	25.3	Very low	23.4	Very low	158 Å²	158	139.2 Å²	139.2	85%	0.845	81%	0.805	S	S	*	*			trans	-149.1	68.7	147.4	-134	-16.9	0	0	0	110.3
877	V	24.4	Very low	23.8	Very low	140 Å²	140	143.1 Å²	143.1	85%	0.848	81%	0.811	S	S	*	*			trans	-132.4	73.2	178.4	-172.9	0	0	0	0	109.8
878	V	24.6	Very low	23.8	Very low	125 Å²	125	145.3 Å²	145.3	76%	0.758	81%	0.809	S	S	*	*			trans	-107.8	101.2	-179.2	-178	0	0	0	0	112
879	N	23.9	Very low	23.8	Very low	146 Å²	146	145.2 Å²	145.2	78%	0.781	81%	0.808	S	S	*	*			trans	28.3	106.9	148.4	-71.1	-58.4	0	0	0	120.6
880	S	27.8	Very low	23.8	Very low	111 Å²	111	145 Å²	145	78%	0.776	81%	0.805	S	S	*	*			trans	-147	89.2	137.9	55.1	0	0	0	0	110.5
881	K	22.8	Very low	23.8	Very low	194 Å²	194	146 Å²	146	84%	0.843	80%	0.801	S	S	*	*				38.5	99.3	98.9	-86.9	-173	172.9	179.2	0	114.8
882	V	24.8	Very low	23.9	Very low	143 Å²	143	149.9 Å²	149.9	87%	0.867	81%	0.807	S	S	*	*			trans	-119.2	136.4	145.3	178.4	0	0	0	0	107
883	Q	23.2	Very low	23.8	Very low	168 Å²	168	146.3 Å²	146.3	79%	0.785	80%	0.802	S	S	*	*			trans	-81.7	132.6	-169.8	-77.5	164.7	-120.7	0	0	112.8
884	V	20.5	Very low	23.5	Very low	145 Å²	145	144.5 Å²	144.5	88%	0.879	80%	0.802	S	S	*	*			trans	-111.7	103.8	155.9	179.3	0	0	0	0	107.1
885	S	25.4	Very low	23.7	Very low	93 Å²	93	142.3 Å²	142.3	65%	0.65	80%	0.797	S	S	*	*			trans	-109.4	104.2	178.3	50	0	0	0	0	110.2	E887	S885-E887 PolarHBondContact O-N 2.91Å
886	S	22.4	Very low	23.7	Very low	107 Å²	107	143.9 Å²	143.9	75%	0.748	80%	0.802	S	S	*	*			trans	-85	105.2	175.2	41	0	0	0	0	111.2
887	E	27.4	Very low	23.7	Very low	192 Å²	192	144.1 Å²	144.1	90%	0.897	80%	0.803	S	S	*	*			trans	-82.4	154.8	170.5	-65.8	-160.7	138.1	0	0	111.9	S885	S885-E887 PolarHBondContact O-N 2.91Å
888	K	24.1	Very low	23.7	Very low	185 Å²	185	146.1 Å²	146.1	80%	0.804	80%	0.8	S	S	*	*			trans	-116.7	141.7	-161.1	-64.3	177.1	178.2	175.6	0	113.3
889	S	20.6	Very low	23.6	Very low	104 Å²	104	147.2 Å²	147.2	73%	0.727	80%	0.8	S	S	*	*			trans	66.1	147.4	138.1	66.1	0	0	0	0	121.2
890	C	19.2	Very low	23.6	Very low	109 Å²	109	145.5 Å²	145.5	74%	0.736	80%	0.8	S	S	*	*			trans	64.1	120.7	164.9	-63.2	0	0	0	0	116.5
891	N	25.5	Very low	23.4	Very low	151 Å²	151	145.2 Å²	145.2	81%	0.807	80%	0.798	S	S	*	*				-147.7	147.4	53.7	-82.2	-56.6	0	0	0	114.2
892	Q	22.3	Very low	23.4	Very low	191 Å²	191	146.2 Å²	146.2	89%	0.893	80%	0.796	S	S	*	*			trans	-86.5	117.4	161.4	-70.9	179.9	-17.6	0	0	109.6
893	V	23.7	Very low	23.3	Very low	125 Å²	125	147.2 Å²	147.2	76%	0.758	80%	0.797	S	S	*	*			trans	-136.8	106.8	158.8	-176.7	0	0	0	0	108.8	P895	V893-P895 WeakPolarHBondContact O-CD 3.44Å
894	S	20.5	Very low	23.4	Very low	118 Å²	118	144.9 Å²	144.9	83%	0.825	79%	0.794	S	S	*	*			trans	-111	102.5	176.7	-64.5	0	0	0	0	110.6
895	P	26	Very low	23.6	Very low	107 Å²	107	143.3 Å²	143.3	70%	0.695	79%	0.79	S	S	*	*			trans	-101.2	96.5	165.3	31.7	-20.7	0	0	0	109.7	V893 N897	V893-P895 WeakPolarHBondContact O-CD 3.44Å; P895-N897 PolarHBondContact O-N 2.94Å
896	K	22.4	Very low	23.4	Very low	210 Å²	210	147.1 Å²	147.1	91%	0.913	80%	0.802	S	S	*	*			trans	-62.4	116.7	161.2	-73.3	178.5	178.6	175.8	0	107.5
897	N	26.9	Very low	23.5	Very low	163 Å²	163	147.5 Å²	147.5	87%	0.872	81%	0.805	S	S	*	*			trans	-136.4	147.3	166.1	-133.8	-17.9	0	0	0	111.9	P895	P895-N897 PolarHBondContact O-N 2.94Å
898	K	23.7	Very low	23.3	Very low	181 Å²	181	143.6 Å²	143.6	79%	0.787	80%	0.798	S	S	*	*			trans	-87.7	145.3	-163.3	-77.2	178.2	175.3	178.2	0	112.9
899	I	22.6	Very low	23.2	Very low	148 Å²	148	143.8 Å²	143.8	76%	0.759	80%	0.804	S	S	*	*			trans	43.5	111.5	136.8	-53.1	165.7	0	0	0	116.5
900	S	23.6	Very low	23.3	Very low	111 Å²	111	147.7 Å²	147.7	78%	0.776	81%	0.808	S	S	*	*			trans	-140.3	101.5	147.5	-168.4	0	0	0	0	109.8	R902	S900-R902 PolarHBondContact O-N 2.7Å
901	S	23.2	Very low	23.4	Very low	104 Å²	104	150.6 Å²	150.6	73%	0.727	82%	0.815	S	S	*	*			trans	-73.2	106	171.5	36.2	0	0	0	0	109.4	N903	S901-N903 PolarHBondContact O-N 3.11Å
902	R	23	Very low	23.2	Very low	215 Å²	215	150.3 Å²	150.3	81%	0.811	81%	0.812	S	S	*	*			trans	-98.8	79.3	179.8	-139.3	178.2	-165.5	174.7	4.5	111.3	S900 T904	S900-R902 PolarHBondContact O-N 2.7Å; R902-T904 HydrophobicContact CG-CG2 4.35Å; R902-T904 PolarHBondContact O-N 3.1Å
903	N	22.8	Very low	23.2	Very low	165 Å²	165	146.9 Å²	146.9	88%	0.882	81%	0.806	S	S	*	*			trans	-65.4	101.9	164.8	-79.2	-5.1	0	0	0	108.9	S901	S901-N903 PolarHBondContact O-N 3.11Å
904	T	26	Very low	23.2	Very low	118 Å²	118	147.2 Å²	147.2	72%	0.724	81%	0.809	S	S	*	*			trans	-109.3	116.6	167.3	49.7	0	0	0	0	109.4	R902	R902-T904 HydrophobicContact CG-CG2 4.35Å; R902-T904 PolarHBondContact O-N 3.1Å
905	S	24.6	Very low	23.2	Very low	113 Å²	113	146.5 Å²	146.5	79%	0.79	80%	0.803	S	S	*	*			trans	-65	137.1	-173.9	52.8	0	0	0	0	113.9	S907	S905-S907 PolarHBondContact O-N 3.31Å
906	L	21.7	Very low	23	Very low	173 Å²	173	148.8 Å²	148.8	91%	0.906	81%	0.809	S	S	*	*			trans	37.6	80.7	132.7	-152.9	78.8	0	0	0	116.2
907	S	24.8	Very low	23.1	Very low	115 Å²	115	145.6 Å²	145.6	80%	0.804	80%	0.802	S	S	*	*			trans	-76.1	134.4	166	57.3	0	0	0	0	110.6	S905 M909	S905-S907 PolarHBondContact O-N 3.31Å; S907-M909 PolarHBondContact O-N 2.97Å
908	S	22.6	Very low	22.9	Very low	109 Å²	109	145.6 Å²	145.6	76%	0.762	80%	0.801	S	S	*	*			trans	-82.9	102.3	-172.2	47.5	0	0	0	0	112.7	K910	S908-K910 PolarHBondContact O-N 3.41Å
909	M	22.2	Very low	22.9	Very low	190 Å²	190	145.9 Å²	145.9	94%	0.936	81%	0.805	S	S	*	*			trans	-75.5	114.1	158.8	-91.5	-168.7	166.6	0	0	109.6	S907	S907-M909 PolarHBondContact O-N 2.97Å
910	K	22.5	Very low	22.9	Very low	186 Å²	186	146 Å²	146	81%	0.809	81%	0.805	S	S	*	*			trans	-65.6	132.3	-176.9	-64.2	170.7	177.4	174.8	0	110.8	S908 I912	S908-K910 PolarHBondContact O-N 3.41Å; K910-I912 PolarHBondContact O-N 3.45Å
911	L	20.1	Very low	22.8	Very low	169 Å²	169	148.6 Å²	148.6	89%	0.885	81%	0.81	S	S	*	*			trans	-63.8	130.1	153.5	-83.8	79.3	0	0	0	108
912	I	22.3	Very low	22.8	Very low	146 Å²	146	149.3 Å²	149.3	75%	0.749	81%	0.812	S	S	*	*			trans	-94.9	112.4	166.7	-61.7	175.5	0	0	0	106.3	K910	K910-I912 PolarHBondContact O-N 3.45Å
913	P	22.3	Very low	22.8	Very low	118 Å²	118	144.4 Å²	144.4	77%	0.766	81%	0.811	S	S	*	*			trans	-73.2	131.1	174.5	30.1	-32.5	0	0	0	109.8
914	V	22.9	Very low	22.8	Very low	133 Å²	133	146.5 Å²	146.5	81%	0.806	81%	0.812	S	S	*	*			trans	-108.2	144.6	165.6	-178.8	0	0	0	0	107.4
915	C	21.8	Very low	22.6	Very low	103 Å²	103	148 Å²	148	70%	0.696	82%	0.815	S	S	*	*			trans	-64.9	149.9	-154.8	-62.2	0	0	0	0	116.2	D917	C915-D917 PolarHBondContact O-N 3.02Å
916	N	21.8	Very low	22.6	Very low	154 Å²	154	148.9 Å²	148.9	82%	0.824	81%	0.811	S	S	*	*			trans	-81.4	93.7	160.7	-68.4	-31.8	0	0	0	109.2	L918	N916-L918 PolarHBondContact O-N 2.86Å
917	D	24.6	Very low	22.7	Very low	143 Å²	143	145.7 Å²	145.7	77%	0.765	79%	0.794	S	S	*	*			trans	-83.3	107.3	171	-70.8	-40.5	0	0	0	110.5	C915 E919	C915-D917 PolarHBondContact O-N 3.02Å; D917-E919 PolarHBondContact O-N 3.27Å; D917-E919 VanDerWaalsContact O-N 3.12Å
918	L	21.6	Very low	22.6	Very low	163 Å²	163	147.3 Å²	147.3	85%	0.853	79%	0.794	S	S	*	*			trans	-84.9	65.2	-174.5	-77.6	164	0	0	0	112.4	N916 I920	N916-L918 PolarHBondContact O-N 2.86Å; L918-I920 PolarHBondContact O-N 3.18Å
919	E	23.1	Very low	22.7	Very low	188 Å²	188	149.9 Å²	149.9	88%	0.879	79%	0.794	S	S	*	*			trans	-80.1	81.5	175.9	-67.8	-150	133.7	0	0	113.3	D917	D917-E919 PolarHBondContact O-N 3.27Å; D917-E919 VanDerWaalsContact O-N 3.12Å
920	I	23	Very low	22.8	Very low	149 Å²	149	148.6 Å²	148.6	76%	0.764	78%	0.783	S	S	*	*			trans	31.7	101.8	139.7	-51.1	177.3	0	0	0	116.3	L918 P922	L918-I920 PolarHBondContact O-N 3.18Å; I920-P922 VanDerWaalsContact O-CD 3.32Å; I920-P922 WeakPolarHBondContact O-CD 3.48Å
921	L	21	Very low	22.8	Very low	166 Å²	166	148.8 Å²	148.8	87%	0.869	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-60.2	122.6	163.6	-80.2	164	0	0	0	111.6
922	P	24.9	Very low	23	Very low	119 Å²	119	143.7 Å²	143.7	77%	0.773	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-64.3	141.5	167.8	-20.5	34.1	0	0	0	111.2	I920	I920-P922 VanDerWaalsContact O-CD 3.32Å; I920-P922 WeakPolarHBondContact O-CD 3.48Å
923	S	22.7	Very low	23.1	Very low	113 Å²	113	145.7 Å²	145.7	79%	0.79	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-70.4	152.7	-172.4	54.9	0	0	0	0	114.1	L925	S923-L925 PolarHBondContact O-N 2.89Å; S923-L925 VanDerWaalsContact O-N 3.13Å
924	K	22.1	Very low	23.3	Very low	209 Å²	209	146.2 Å²	146.2	91%	0.909	78%	0.782	S	S	*	*			trans	-42	113.3	173.9	-72.2	170.8	172.9	170.6	0	112.8
925	L	22.7	Very low	23.3	Very low	150 Å²	150	148.7 Å²	148.7	79%	0.785	79%	0.785	S	S	*	*			trans	-98.2	88.5	165.3	-127.1	162.4	0	0	0	109.5	S923 L927	S923-L925 PolarHBondContact O-N 2.89Å; S923-L925 VanDerWaalsContact O-N 3.13Å; L925-L927 VanDerWaalsContact C-N 3.33Å; L925-L927 HydrophobicContact CD2-CD1 4.16Å; L925-L927 PolarHBondContact O-N 3.29Å
926	N	24.3	Very low	23.8	Very low	130 Å²	130	150.5 Å²	150.5	70%	0.695	79%	0.787	S	S	*	*			trans	-77	76.8	-177.5	-178.3	10.7	0	0	0	111.3	N928	N926-N928 VanDerWaalsContact C-N 3.35Å; N926-N928 PolarHBondContact O-N 3.23Å
927	L	22.7	Very low	24.4	Very low	106 Å²	106	147.3 Å²	147.3	56%	0.555	77%	0.774	S	S	*	*			trans	-93	53.3	-173.8	-151.8	75.4	0	0	0	113.6	L925 Q929 F930	L925-L927 VanDerWaalsContact C-N 3.33Å; L925-L927 HydrophobicContact CD2-CD1 4.16Å; L925-L927 PolarHBondContact O-N 3.29Å; L927-Q929 PolarHBondContact O-N 3.49Å; L927-F930 HydrophobicContact CD2-CD2 4.08Å; L927-F930 HydrophobicContact CD2-CE2 4.3Å
928	N	23	Very low	24.7	Very low	149 Å²	149	146.5 Å²	146.5	80%	0.797	77%	0.769	S	S	*	*			trans	-70.6	44.8	169.3	-83.4	-18.8	0	0	0	112.4	N926	N926-N928 VanDerWaalsContact C-N 3.35Å; N926-N928 PolarHBondContact O-N 3.23Å
929	Q	26.1	Very low	25.7	Very low	164 Å²	164	143.6 Å²	143.6	77%	0.766	76%	0.758	S	S	*	*			trans	-145.1	33.8	-169.2	-140.9	172.8	19.6	0	0	114.9	L927	L927-Q929 PolarHBondContact O-N 3.49Å
930	F	24.3	Very low	26.6	Very low	162 Å²	162	141.9 Å²	141.9	71%	0.711	75%	0.748	S	S	*	*			trans	-118.4	53.5	161.1	-91.4	-78.9	0	0	0	112.3	L927 G932 F933	L927-F930 HydrophobicContact CD2-CD2 4.08Å; L927-F930 HydrophobicContact CD2-CE2 4.3Å; F930-G932 PolarHBondContact O-N 3.48Å; F930-F933 HydrophobicContact CD1-CE2 4.37Å
931	M	21	Very low	27.7	Very low	190 Å²	190	138 Å²	138	94%	0.936	74%	0.738	S	S	*	*			trans	-70.6	109.1	156.9	-73.8	-80.1	-79.1	0	0	108.2
932	G	24.3	Very low	28.9	Very low	63 Å²	63	135.2 Å²	135.2	65%	0.649	72%	0.724	S	S	*	*			trans	142.5	44.7	171.4	0	0	0	0	0	118.5	F930	F930-G932 PolarHBondContact O-N 3.48Å
933	F	25.9	Very low	30.1	Very low	188 Å²	188	136.1 Å²	136.1	83%	0.825	72%	0.715	S	S	*	*			trans	-114.6	113.6	152.9	-77.4	-72.9	0	0	0	109.3	F930	F930-F933 HydrophobicContact CD1-CE2 4.37Å
934	T	25.4	Very low	32	Very low	128 Å²	128	134.7 Å²	134.7	79%	0.785	70%	0.699	S	S	*	*			trans	-64.9	134.9	-179.1	42.6	0	0	0	0	110.7	I936	T934-I936 PolarHBondContact O-N 3.01Å
935	E	23.7	Very low	33.9	Very low	186 Å²	186	130.3 Å²	130.3	87%	0.869	68%	0.682	S	S	*	*			trans	-61.2	106.4	171.9	-66.7	-173.1	121.9	0	0	109.9	P937	E935-P937 WeakPolarHBondContact O-CD 3.24Å
936	I	30.7	Very low	35.8	Very low	140 Å²	140	127.6 Å²	127.6	72%	0.718	67%	0.665	S	S	*	*			trans	-74.8	113.5	167.1	-59.9	177.4	0	0	0	106.7	T934 L938	T934-I936 PolarHBondContact O-N 3.01Å; I936-L938 WeakPolarHBondContact O-CD1 3.48Å; I936-L938 PolarHBondContact O-N 2.9Å
937	P	35.5	Very low	37.9	Very low	88 Å²	88	125.5 Å²	125.5	57%	0.571	65%	0.653	S	S	*	*			trans	-74.7	95.4	-170.1	-19.2	34.9	0	0	0	112.1	E935 T939 K940	E935-P937 WeakPolarHBondContact O-CD 3.24Å; P937-T939 PolarHBondContact O-N 3.45Å; P937-K940 PolarHBondContact O-N 3.48Å; P937-K940 VanDerWaalsContact O-N 3.1Å
938	L	31.2	Very low	40.1	Very low	125 Å²	125	127.4 Å²	127.4	65%	0.654	66%	0.659	S	S	*	*	H	α-helix	trans	-52.6	-21.2	174.3	-94.6	75.1	0	0	0	113.2	I936 K940 A941 L942	I936-L938 WeakPolarHBondContact O-CD1 3.48Å; I936-L938 PolarHBondContact O-N 2.9Å; L938-K940 PolarHBondContact O-N 3.07Å; L938-A941 PolarHBondContact O-N 3.36Å; L938-L942 PolarHBondContact O-N 2.91Å
939	T	43	Very low	42.4	Very low	102 Å²	102	126.8 Å²	126.8	63%	0.626	65%	0.649	S	S	*	*	H	α-helix	trans	-61.6	-16.4	177.2	57.7	0	0	0	0	114.7	P937 K943	P937-T939 PolarHBondContact O-N 3.45Å; T939-K943 WeakPolarHBondContact O-CD 3.41Å; T939-K943 VanDerWaalsContact O-CG 3.32Å; T939-K943 WeakPolarHBondContact O-CG 3.27Å
940	K	42.1	Very low	44.6	Very low	152 Å²	152	125.7 Å²	125.7	66%	0.661	64%	0.638	S	S	*	*	H	α-helix	trans	-86.8	-54.4	174.9	-146.4	177	-174.3	-176.8	0	111.8	P937 L938 L942 K943 D944	P937-K940 PolarHBondContact O-N 3.48Å; P937-K940 VanDerWaalsContact O-N 3.1Å; L938-K940 PolarHBondContact O-N 3.07Å; K940-L942 VanDerWaalsContact C-N 3.33Å; K940-L942 PolarHBondContact O-N 2.74Å; K940-K943 WeakPolarHBondContact O-CB 3.42Å; K940-K943 PolarHBondContact O-N 2.77Å; K940-D944 PolarHBondContact O-N 3.33Å
941	A	45	Very low	47	Very low	68 Å²	68	123.5 Å²	123.5	56%	0.562	63%	0.63	S	S	*	*	H	α-helix	trans	-55.8	-43.4	-179.8	0	0	0	0	0	113.1	L938 K943 D944 E945	L938-A941 PolarHBondContact O-N 3.36Å; A941-K943 VanDerWaalsContact C-N 3.32Å; A941-K943 PolarHBondContact O-N 3.08Å; A941-D944 PolarHBondContact O-N 2.9Å; A941-E945 PolarHBondContact O-N 3.45Å
942	L	46	Very low	49.5	Very low	107 Å²	107	118.9 Å²	118.9	56%	0.56	61%	0.609	S	S	*	*	H	α-helix	trans	-66.4	-31	177.4	-71.1	169.9	0	0	0	113.2	L938 K940 E946	L938-L942 PolarHBondContact O-N 2.91Å; K940-L942 VanDerWaalsContact C-N 3.33Å; K940-L942 PolarHBondContact O-N 2.74Å; L942-E946 PolarHBondContact O-N 3.17Å; L942-E946 VanDerWaalsContact O-N 3.11Å
943	K	50.6	Low	51.3	Low	138 Å²	138	122.4 Å²	122.4	60%	0.6	61%	0.608	S	S	*	*	H	α-helix	trans	-73.2	-40.8	174.1	-78.5	-179.3	179.2	178.6	0	111.6	T939 K940 A941 E945 E946 I947	T939-K943 WeakPolarHBondContact O-CD 3.41Å; T939-K943 VanDerWaalsContact O-CG 3.32Å; T939-K943 WeakPolarHBondContact O-CG 3.27Å; K940-K943 WeakPolarHBondContact O-CB 3.42Å; K940-K943 PolarHBondContact O-N 2.77Å; A941-K943 VanDerWaalsContact C-N 3.32Å; A941-K943 PolarHBondContact O-N 3.08Å; K943-E945 VanDerWaalsContact C-N 3.34Å; K943-E946 PolarHBondContact O-N 3.37Å; K943-I947 WeakPolarHBondContact O-CB 3.24Å; K943-I947 WeakPolarHBondContact O-CD1 3.47Å; K943-I947 VanDerWaalsContact O-CG1 3.23Å; K943-I947 WeakPolarHBondContact O-CG1 3.41Å; K943-I947 PolarHBondContact O-N 2.88Å
944	D	61.9	Low	53.4	Low	84 Å²	84	120.6 Å²	120.6	45%	0.449	60%	0.6	S	S	.	*	H	α-helix	trans	-65.4	-38.9	177.9	-64.5	-35.4	0	0	0	110.9	K940 A941 I947 Q948	K940-D944 PolarHBondContact O-N 3.33Å; A941-D944 PolarHBondContact O-N 2.9Å; D944-I947 PolarHBondContact O-N 2.99Å; D944-Q948 WeakPolarHBondContact O-CG 3.39Å; D944-Q948 PolarHBondContact O-N 2.85Å
945	E	63.3	Low	55.5	Low	116 Å²	116	118.5 Å²	118.5	54%	0.542	58%	0.583	S	S	.	*	H	α-helix	trans	-62.5	-45.6	171.2	-165.2	-169.7	-179.6	0	0	111.9	A941 K943 I947 Q948 K949	A941-E945 PolarHBondContact O-N 3.45Å; K943-E945 VanDerWaalsContact C-N 3.34Å; E945-I947 VanDerWaalsContact C-N 3.32Å; E945-I947 PolarHBondContact O-N 2.92Å; E945-Q948 PolarHBondContact O-N 3.39Å; E945-K949 WeakPolarHBondContact O-CB 3.38Å; E945-K949 PolarHBondContact O-N 3.24Å
946	E	60.8	Low	57.1	Low	93 Å²	93	116 Å²	116	44%	0.435	57%	0.569	S	S	.	*	H	α-helix	trans	-64.1	-37.5	177.9	-151.7	-155.9	158	0	0	112.2	L942 K943 K949 R950	L942-E946 PolarHBondContact O-N 3.17Å; L942-E946 VanDerWaalsContact O-N 3.11Å; K943-E946 PolarHBondContact O-N 3.37Å; E946-K949 PolarHBondContact O-N 3.12Å; E946-R950 WeakPolarHBondContact O-CB 3.37Å; E946-R950 VanDerWaalsContact O-CG 3.3Å; E946-R950 WeakPolarHBondContact O-CG 3.46Å; E946-R950 PolarHBondContact O-N 3.1Å; E946-R950 IonicContact OE1-CZ 3.82Å; E946-R950 IonicContact OE1-NE 2.61Å; E946-R950 PolarHBondContact OE1-NE 2.83Å; E946-R950 IonicContact OE1-NH2 2.64Å; E946-R950 PolarHBondContact OE1-NH2 3.14Å; E946-R950 IonicContact OE2-NH2 3.86Å
947	I	68.9	Low	58.2	Low	87 Å²	87	111.9 Å²	111.9	45%	0.446	56%	0.556	S	S	.	*	H	α-helix	trans	-62.6	-46.1	173.8	-71.2	164.1	0	0	0	110.3	K943 D944 E945 K949 R950 Q951	K943-I947 WeakPolarHBondContact O-CB 3.24Å; K943-I947 WeakPolarHBondContact O-CD1 3.47Å; K943-I947 VanDerWaalsContact O-CG1 3.23Å; K943-I947 WeakPolarHBondContact O-CG1 3.41Å; K943-I947 PolarHBondContact O-N 2.88Å; D944-I947 PolarHBondContact O-N 2.99Å; E945-I947 VanDerWaalsContact C-N 3.32Å; E945-I947 PolarHBondContact O-N 2.92Å; I947-K949 VanDerWaalsContact C-N 3.34Å; I947-K949 PolarHBondContact O-N 3.2Å; I947-R950 PolarHBondContact O-N 3.24Å; I947-Q951 WeakPolarHBondContact O-CG 3.37Å; I947-Q951 PolarHBondContact O-N 3.48Å
948	Q	70.4	Confident	59.4	Low	146 Å²	146	115.8 Å²	115.8	68%	0.682	56%	0.564	S	S	*	*	H	α-helix	trans	-62.4	-40.5	175.1	-73.1	-159.9	14.1	0	0	112.1	D944 E945 R950 Q951 L952	D944-Q948 WeakPolarHBondContact O-CG 3.39Å; D944-Q948 PolarHBondContact O-N 2.85Å; E945-Q948 PolarHBondContact O-N 3.39Å; Q948-R950 PolarHBondContact O-N 3.29Å; Q948-Q951 PolarHBondContact O-N 2.97Å; Q948-Q951 VanDerWaalsContact O-N 3.14Å; Q948-L952 WeakPolarHBondContact O-CB 3.45Å; Q948-L952 PolarHBondContact O-N 2.91Å
949	K	69.9	Low	60.6	Low	135 Å²	135	116.7 Å²	116.7	59%	0.587	57%	0.565	S	S	*	*	H	α-helix	trans	-59.6	-46.6	176.7	-145.6	165.2	-168.4	162.7	0	111.3	E945 E946 I947 Q951 L952 E953	E945-K949 WeakPolarHBondContact O-CB 3.38Å; E945-K949 PolarHBondContact O-N 3.24Å; E946-K949 PolarHBondContact O-N 3.12Å; I947-K949 VanDerWaalsContact C-N 3.34Å; I947-K949 PolarHBondContact O-N 3.2Å; K949-Q951 VanDerWaalsContact C-N 3.34Å; K949-Q951 PolarHBondContact O-N 3.16Å; K949-L952 PolarHBondContact O-N 3.49Å; K949-E953 PolarHBondContact O-N 3.08Å
950	R	72.5	Confident	60.9	Low	141 Å²	141	115.4 Å²	115.4	53%	0.532	56%	0.555	S	S	.	*	H	α-helix	trans	-67	-29.1	174.9	-68	172.9	-178.8	-151.7	7.2	113.1	E946 I947 Q948 K954	E946-R950 WeakPolarHBondContact O-CB 3.37Å; E946-R950 VanDerWaalsContact O-CG 3.3Å; E946-R950 WeakPolarHBondContact O-CG 3.46Å; E946-R950 PolarHBondContact O-N 3.1Å; E946-R950 IonicContact OE1-CZ 3.82Å; E946-R950 IonicContact OE1-NE 2.61Å; E946-R950 PolarHBondContact OE1-NE 2.83Å; E946-R950 IonicContact OE1-NH2 2.64Å; E946-R950 PolarHBondContact OE1-NH2 3.14Å; E946-R950 IonicContact OE2-NH2 3.86Å; I947-R950 PolarHBondContact O-N 3.24Å; Q948-R950 PolarHBondContact O-N 3.29Å; R950-K954 WeakPolarHBondContact O-CG 3.49Å; R950-K954 PolarHBondContact O-N 2.65Å
951	Q	75.9	Confident	61.2	Low	117 Å²	117	112.5 Å²	112.5	55%	0.547	55%	0.551	S	S	.	*	H	α-helix	trans	-73.3	-41.8	171.4	-73.2	-168.9	28	0	0	111.9	I947 Q948 K949 E953 K954 I955	I947-Q951 WeakPolarHBondContact O-CG 3.37Å; I947-Q951 PolarHBondContact O-N 3.48Å; Q948-Q951 PolarHBondContact O-N 2.97Å; Q948-Q951 VanDerWaalsContact O-N 3.14Å; K949-Q951 VanDerWaalsContact C-N 3.34Å; K949-Q951 PolarHBondContact O-N 3.16Å; Q951-E953 VanDerWaalsContact C-N 3.35Å; Q951-E953 PolarHBondContact O-N 3.39Å; Q951-K954 WeakPolarHBondContact O-CB 3.24Å; Q951-K954 PolarHBondContact O-N 3.48Å; Q951-K954 VanDerWaalsContact O-N 3.12Å; Q951-I955 WeakPolarHBondContact O-CG1 3.38Å; Q951-I955 PolarHBondContact O-N 2.88Å
952	L	73.4	Confident	61.1	Low	92 Å²	92	115 Å²	115	48%	0.482	55%	0.554	S	S	.	*	H	α-helix	trans	-63	-39.6	177.3	-176	62.2	0	0	0	111.7	Q948 K949 I955 K956	Q948-L952 WeakPolarHBondContact O-CB 3.45Å; Q948-L952 PolarHBondContact O-N 2.91Å; K949-L952 PolarHBondContact O-N 3.49Å; L952-I955 PolarHBondContact O-N 2.94Å; L952-K956 WeakPolarHBondContact O-CG 3.47Å; L952-K956 PolarHBondContact O-N 3.07Å
953	E	62	Low	61.2	Low	138 Å²	138	113.2 Å²	113.2	65%	0.645	55%	0.548	S	S	*	.	H	α-helix	trans	-61.3	-43.2	170.4	-75.7	-166.5	137.2	0	0	112.5	K949 Q951 I955 K956 A957	K949-E953 PolarHBondContact O-N 3.08Å; Q951-E953 VanDerWaalsContact C-N 3.35Å; Q951-E953 PolarHBondContact O-N 3.39Å; E953-I955 PolarHBondContact O-N 2.62Å; E953-K956 PolarHBondContact O-N 2.87Å; E953-A957 VanDerWaalsContact O-CB 3.3Å; E953-A957 WeakPolarHBondContact O-CB 3.38Å; E953-A957 PolarHBondContact O-N 3.42Å
954	K	69.5	Low	60.7	Low	149 Å²	149	115.6 Å²	115.6	65%	0.648	55%	0.553	S	S	*	*	H	α-helix	trans	-62.6	-30.2	175	-74.4	173.7	-179.8	-179.6	0	112.8	R950 Q951 K958	R950-K954 WeakPolarHBondContact O-CG 3.49Å; R950-K954 PolarHBondContact O-N 2.65Å; Q951-K954 WeakPolarHBondContact O-CB 3.24Å; Q951-K954 PolarHBondContact O-N 3.48Å; Q951-K954 VanDerWaalsContact O-N 3.12Å; K954-K958 WeakPolarHBondContact O-CG 3.45Å; K954-K958 PolarHBondContact O-N 3.4Å
955	I	68.8	Low	59.8	Low	84 Å²	84	116.3 Å²	116.3	43%	0.431	56%	0.557	S	S	.	*	H	α-helix	trans	-73.1	-48.6	173.3	-67	165.8	0	0	0	110.4	Q951 L952 E953 A957 K958 Q959	Q951-I955 WeakPolarHBondContact O-CG1 3.38Å; Q951-I955 PolarHBondContact O-N 2.88Å; L952-I955 PolarHBondContact O-N 2.94Å; E953-I955 PolarHBondContact O-N 2.62Å; I955-A957 VanDerWaalsContact C-N 3.31Å; I955-A957 PolarHBondContact O-N 2.92Å; I955-K958 WeakPolarHBondContact O-CB 3.43Å; I955-K958 PolarHBondContact O-N 2.92Å; I955-Q959 PolarHBondContact O-N 2.88Å
956	K	58.4	Low	58.6	Low	133 Å²	133	117.1 Å²	117.1	58%	0.578	56%	0.564	S	S	*	*	H	α-helix	trans	-58.2	-41.2	175.7	-72.5	-179.7	176.5	-175.6	0	112.2	L952 E953 K958 Q959 N960	L952-K956 WeakPolarHBondContact O-CG 3.47Å; L952-K956 PolarHBondContact O-N 3.07Å; E953-K956 PolarHBondContact O-N 2.87Å; K956-K958 VanDerWaalsContact C-N 3.32Å; K956-K958 PolarHBondContact O-N 2.9Å; K956-Q959 PolarHBondContact O-N 3.28Å; K956-N960 PolarHBondContact O-N 3.16Å
957	A	53	Low	57.7	Low	54 Å²	54	120.9 Å²	120.9	45%	0.446	58%	0.579	S	S	.	*	H	α-helix	trans	-66.1	-30	175.7	0	0	0	0	0	113.4	E953 I955	E953-A957 VanDerWaalsContact O-CB 3.3Å; E953-A957 WeakPolarHBondContact O-CB 3.38Å; E953-A957 PolarHBondContact O-N 3.42Å; I955-A957 VanDerWaalsContact C-N 3.31Å; I955-A957 PolarHBondContact O-N 2.92Å
958	K	60.2	Low	56.3	Low	170 Å²	170	122.8 Å²	122.8	74%	0.739	59%	0.59	S	S	*	*	H	α-helix	trans	-75.5	-29.1	171.2	-77.8	176.3	175.7	-176.3	0	113.1	K954 I955 K956	K954-K958 WeakPolarHBondContact O-CG 3.45Å; K954-K958 PolarHBondContact O-N 3.4Å; I955-K958 WeakPolarHBondContact O-CB 3.43Å; I955-K958 PolarHBondContact O-N 2.92Å; K956-K958 VanDerWaalsContact C-N 3.32Å; K956-K958 PolarHBondContact O-N 2.9Å
959	Q	57.7	Low	54.6	Low	144 Å²	144	121 Å²	121	67%	0.673	59%	0.588	S	S	*	*	H	α-helix	trans	-83.8	-24.1	180	-74.4	178.4	-27.8	0	0	113.4	I955 K956 P961	I955-Q959 PolarHBondContact O-N 2.88Å; K956-Q959 PolarHBondContact O-N 3.28Å; Q959-P961 VanDerWaalsContact O-CD 3.26Å; Q959-P961 WeakPolarHBondContact O-CD 3.37Å
960	N	48.4	Very low	52.9	Low	76 Å²	76	123.4 Å²	123.4	41%	0.406	60%	0.599	S	S	.	*			trans	-65.7	114.7	179.7	-171.2	-24.3	0	0	0	111.6	K956 L962 V963	K956-N960 PolarHBondContact O-N 3.16Å; N960-L962 PolarHBondContact O-N 3.04Å; N960-L962 VanDerWaalsContact O-N 3.15Å; N960-L962 PolarHBondContact OD1-N 2.93Å; N960-V963 HydrophobicContact CB-CG2 4.35Å; N960-V963 PolarHBondContact O-N 2.69Å; N960-V963 VanDerWaalsContact O-N 3.14Å
961	P	48.5	Very low	50.9	Low	91 Å²	91	123.8 Å²	123.8	59%	0.591	61%	0.612	S	S	*	*	H	α-helix	trans	-60	-29.8	-172.4	-26.1	36	0	0	0	114.7	Q959 V963 R964 N965	Q959-P961 VanDerWaalsContact O-CD 3.26Å; Q959-P961 WeakPolarHBondContact O-CD 3.37Å; P961-V963 PolarHBondContact O-N 3.5Å; P961-R964 WeakPolarHBondContact O-CB 3.26Å; P961-R964 PolarHBondContact O-N 3.45Å; P961-N965 PolarHBondContact O-N 2.79Å; P961-N965 VanDerWaalsContact O-N 3.12Å
962	L	43.6	Very low	48.7	Very low	119 Å²	119	122 Å²	122	62%	0.623	61%	0.612	S	S	*	*	H	α-helix	trans	-58.5	-34.6	179.1	-68.2	168.2	0	0	0	112.2	N960 R964 N965 L966	N960-L962 PolarHBondContact O-N 3.04Å; N960-L962 VanDerWaalsContact O-N 3.15Å; N960-L962 PolarHBondContact OD1-N 2.93Å; L962-R964 VanDerWaalsContact C-N 3.33Å; L962-N965 PolarHBondContact O-N 3.17Å; L962-L966 WeakPolarHBondContact O-CG 3.4Å; L962-L966 PolarHBondContact O-N 3.13Å; L962-L966 VanDerWaalsContact O-N 3.09Å
963	V	46.8	Very low	46.7	Very low	71 Å²	71	125.1 Å²	125.1	43%	0.43	63%	0.629	S	S	.	*	H	α-helix	trans	-71.7	-29.3	178.1	-175.7	0	0	0	0	111.6	N960 P961 K967	N960-V963 HydrophobicContact CB-CG2 4.35Å; N960-V963 PolarHBondContact O-N 2.69Å; N960-V963 VanDerWaalsContact O-N 3.14Å; P961-V963 PolarHBondContact O-N 3.5Å; V963-K967 PolarHBondContact O-N 2.74Å
964	R	40.5	Very low	45	Very low	188 Å²	188	127.8 Å²	127.8	71%	0.709	64%	0.642	S	S	*	*	H	α-helix	trans	-70.9	-46.1	173.8	-111.6	177.7	173.7	157.1	-3.4	111.2	P961 L962 L966 K967 L968	P961-R964 WeakPolarHBondContact O-CB 3.26Å; P961-R964 PolarHBondContact O-N 3.45Å; L962-R964 VanDerWaalsContact C-N 3.33Å; R964-L966 PolarHBondContact O-N 2.98Å; R964-K967 PolarHBondContact O-N 2.81Å; R964-K967 VanDerWaalsContact O-N 3.08Å; R964-L968 PolarHBondContact O-N 3.12Å; R964-L968 VanDerWaalsContact O-N 3.08Å
965	N	43.9	Very low	43.1	Very low	98 Å²	98	126.4 Å²	126.4	52%	0.524	65%	0.648	S	S	.	*	H	α-helix	trans	-62.2	-42.8	178.9	-68.2	-0.1	0	0	0	111.3	P961 L962 K967 L968 V969	P961-N965 PolarHBondContact O-N 2.79Å; P961-N965 VanDerWaalsContact O-N 3.12Å; L962-N965 PolarHBondContact O-N 3.17Å; N965-K967 PolarHBondContact O-N 3.35Å; N965-L968 PolarHBondContact O-N 2.89Å; N965-V969 WeakPolarHBondContact O-CG2 3.24Å; N965-V969 PolarHBondContact O-N 3.03Å; N965-V969 VanDerWaalsContact O-N 3.15Å
966	L	38.5	Very low	41.2	Very low	133 Å²	133	132 Å²	132	70%	0.696	67%	0.669	S	S	*	*	H	α-helix	trans	-62.6	-21.5	174.7	-75.4	170.4	0	0	0	114.4	L962 R964	L962-L966 WeakPolarHBondContact O-CG 3.4Å; L962-L966 PolarHBondContact O-N 3.13Å; L962-L966 VanDerWaalsContact O-N 3.09Å; R964-L966 PolarHBondContact O-N 2.98Å
967	K	40.6	Very low	39.8	Very low	172 Å²	172	138 Å²	138	75%	0.748	69%	0.688	S	S	*	*	H	α-helix	trans	-86.6	-34.7	172.3	-87.6	-163.9	170.2	-168.2	0	113.6	V963 R964 N965 K970	V963-K967 PolarHBondContact O-N 2.74Å; R964-K967 PolarHBondContact O-N 2.81Å; R964-K967 VanDerWaalsContact O-N 3.08Å; N965-K967 PolarHBondContact O-N 3.35Å; K967-K970 PolarHBondContact O-N 3.17Å
968	L	39	Very low	38.9	Very low	127 Å²	127	141.6 Å²	141.6	67%	0.665	71%	0.705	S	S	*	*	H	α-helix	trans	-68.7	-36.9	178.1	-76.9	166.2	0	0	0	112.3	R964 N965 K970 N971	R964-L968 PolarHBondContact O-N 3.12Å; R964-L968 VanDerWaalsContact O-N 3.08Å; N965-L968 PolarHBondContact O-N 2.89Å; L968-K970 PolarHBondContact O-N 2.9Å; L968-K970 VanDerWaalsContact O-N 3.08Å; L968-N971 PolarHBondContact O-N 3.36Å
969	V	35.3	Very low	37.9	Very low	108 Å²	108	143.3 Å²	143.3	66%	0.655	71%	0.712	S	S	*	*	G	3₁₀ helix	trans	-62	-17.2	179.1	171.5	0	0	0	0	113.6	N965 N971	N965-V969 WeakPolarHBondContact O-CG2 3.24Å; N965-V969 PolarHBondContact O-N 3.03Å; N965-V969 VanDerWaalsContact O-N 3.15Å; V969-N971 VanDerWaalsContact C-N 3.3Å; V969-N971 PolarHBondContact O-N 2.94Å
970	K	34.4	Very low	37	Very low	187 Å²	187	142 Å²	142	81%	0.813	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-72.9	-14.5	176.4	-81.9	-156.6	169.2	-164.3	0	115.2	K967 L968	K967-K970 PolarHBondContact O-N 3.17Å; L968-K970 PolarHBondContact O-N 2.9Å; L968-K970 VanDerWaalsContact O-N 3.08Å
971	N	31.5	Very low	36.8	Very low	149 Å²	149	144.1 Å²	144.1	80%	0.797	73%	0.725	S	S	*	*	G	3₁₀ helix	trans	-115.5	15.8	-171.2	-78.6	31.7	0	0	0	114.6	L968 V969	L968-N971 PolarHBondContact O-N 3.36Å; V969-N971 VanDerWaalsContact C-N 3.3Å; V969-N971 PolarHBondContact O-N 2.94Å
972	S	29.4	Very low	36.8	Very low	80 Å²	80	141.2 Å²	141.2	56%	0.559	71%	0.711	S	S	*	*	S	Bend	trans	-125.1	104.6	177.1	60.6	0	0	0	0	112.8
973	N	31.2	Very low	37	Very low	157 Å²	157	141 Å²	141	84%	0.84	72%	0.717	S	S	*	*			trans	25	118.8	155.5	-61.1	-13.5	0	0	0	119	P975	N973-P975 WeakPolarHBondContact O-CD 3.45Å; N973-P975 VanDerWaalsContact O-N 3.1Å
974	Q	26.2	Very low	37	Very low	194 Å²	194	143.9 Å²	143.9	91%	0.907	72%	0.723	S	S	*	*			trans	-36.8	106.6	175.7	-64	177.7	-5.8	0	0	114.4
975	P	28.8	Very low	37.9	Very low	119 Å²	119	139 Å²	139	77%	0.773	71%	0.708	S	S	*	*			trans	-69.7	142.7	168.6	-17.5	33.2	0	0	0	110.3	N973	N973-P975 WeakPolarHBondContact O-CD 3.45Å; N973-P975 VanDerWaalsContact O-N 3.1Å
976	K	29.7	Very low	38.2	Very low	201 Å²	201	138.7 Å²	138.7	87%	0.874	71%	0.707	S	S	*	*			trans	-59.2	143.2	-179	-64.6	174	-179.1	175.8	0	110.9	T978	K976-T978 PolarHBondContact O-N 2.93Å
977	R	28.4	Very low	38.7	Very low	259 Å²	259	138 Å²	138	98%	0.977	70%	0.698	S	S	*	*			trans	-45.4	91	-179.3	-69.6	174.8	170	172.6	-5.2	113.5
978	T	34.8	Very low	39.4	Very low	131 Å²	131	133.9 Å²	133.9	80%	0.804	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-83	136.1	156.8	48.3	0	0	0	0	108	K976 S980	K976-T978 PolarHBondContact O-N 2.93Å; T978-S980 PolarHBondContact O-N 3.29Å
979	K	38.2	Very low	40.5	Very low	206 Å²	206	132.7 Å²	132.7	90%	0.896	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-61.6	124.2	-177.5	-68.9	-179.4	178.5	179.2	0	109.2	K981	K979-K981 PolarHBondContact O-N 2.8Å
980	S	40.1	Very low	41.4	Very low	116 Å²	116	132.7 Å²	132.7	81%	0.811	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-63	116.3	173.7	50.7	0	0	0	0	109.4	T978	T978-S980 PolarHBondContact O-N 3.29Å
981	K	44.4	Very low	42.1	Very low	121 Å²	121	128.8 Å²	128.8	53%	0.526	65%	0.652	S	S	.	*	P	Polyproline II helix	trans	-56.3	137.8	175.9	-72.4	-165.4	166.2	-122.2	0	110.5	K979 E985	K979-K981 PolarHBondContact O-N 2.8Å; K981-E985 WeakPolarHBondContact CA-OE2 3.47Å; K981-E985 HydrophobicContact CB-CB 4.44Å; K981-E985 VanDerWaalsContact CB-OE2 3.24Å; K981-E985 WeakPolarHBondContact CB-OE2 3.11Å; K981-E985 WeakPolarHBondContact CE-OE1 3.29Å; K981-E985 VanDerWaalsContact CG-OE2 3.28Å; K981-E985 WeakPolarHBondContact CG-OE2 3.4Å; K981-E985 IonicContact NZ-OE1 2.67Å; K981-E985 PolarHBondContact NZ-OE1 3.36Å
982	G	47.2	Very low	43.5	Very low	29 Å²	29	125.5 Å²	125.5	30%	0.299	64%	0.638	S	S	.	*	P	Polyproline II helix	trans	-70.1	156.8	-174.7	0	0	0	0	0	112.2	K984 E985 L986	G982-K984 PolarHBondContact O-N 2.79Å; G982-K984 VanDerWaalsContact O-N 3.14Å; G982-E985 PolarHBondContact N-OE2 3.11Å; G982-E985 PolarHBondContact O-N 3.17Å; G982-E985 VanDerWaalsContact O-N 3.08Å; G982-L986 PolarHBondContact O-N 3.17Å
983	P	48.1	Very low	45	Very low	115 Å²	115	127 Å²	127	75%	0.747	64%	0.638	S	S	*	*	H	α-helix	trans	-59	-26	175.4	23.8	-33.1	0	0	0	112.8	L986 F987	P983-L986 PolarHBondContact O-N 3.29Å; P983-F987 WeakPolarHBondContact O-CB 3.43Å; P983-F987 PolarHBondContact O-N 3.33Å
984	K	47.7	Very low	45.9	Very low	132 Å²	132	127.6 Å²	127.6	57%	0.574	63%	0.63	S	S	*	*	H	α-helix	trans	-64.9	-45.9	173.5	-150.1	177.3	-174.4	-175.8	0	111.7	G982 L986 F987 E988	G982-K984 PolarHBondContact O-N 2.79Å; G982-K984 VanDerWaalsContact O-N 3.14Å; K984-L986 VanDerWaalsContact C-N 3.34Å; K984-L986 PolarHBondContact O-N 2.92Å; K984-F987 PolarHBondContact O-N 3.25Å; K984-E988 WeakPolarHBondContact O-CG 3.33Å; K984-E988 PolarHBondContact O-N 3.03Å
985	E	58.4	Low	47.4	Very low	84 Å²	84	120.5 Å²	120.5	39%	0.393	60%	0.602	S	S	.	*	H	α-helix	trans	-61	-40	174.2	-79.5	-174.9	96.2	0	0	112.7	K981 G982 F987 E988 Q989	K981-E985 WeakPolarHBondContact CA-OE2 3.47Å; K981-E985 HydrophobicContact CB-CB 4.44Å; K981-E985 VanDerWaalsContact CB-OE2 3.24Å; K981-E985 WeakPolarHBondContact CB-OE2 3.11Å; K981-E985 WeakPolarHBondContact CE-OE1 3.29Å; K981-E985 VanDerWaalsContact CG-OE2 3.28Å; K981-E985 WeakPolarHBondContact CG-OE2 3.4Å; K981-E985 IonicContact NZ-OE1 2.67Å; K981-E985 PolarHBondContact NZ-OE1 3.36Å; G982-E985 PolarHBondContact N-OE2 3.11Å; G982-E985 PolarHBondContact O-N 3.17Å; G982-E985 VanDerWaalsContact O-N 3.08Å; E985-F987 VanDerWaalsContact C-N 3.33Å; E985-E988 PolarHBondContact O-N 3.06Å; E985-Q989 WeakPolarHBondContact O-CG 3.46Å; E985-Q989 PolarHBondContact O-N 2.82Å
986	L	49.9	Very low	49	Very low	93 Å²	93	118.6 Å²	118.6	49%	0.487	59%	0.585	S	S	.	*	H	α-helix	trans	-65.7	-36.4	176.8	-87.8	165.8	0	0	0	112	G982 P983 K984 I990	G982-L986 PolarHBondContact O-N 3.17Å; P983-L986 PolarHBondContact O-N 3.29Å; K984-L986 VanDerWaalsContact C-N 3.34Å; K984-L986 PolarHBondContact O-N 2.92Å; L986-I990 WeakPolarHBondContact O-CD1 3.24Å; L986-I990 VanDerWaalsContact O-CG1 3.25Å; L986-I990 WeakPolarHBondContact O-CG1 3.19Å; L986-I990 PolarHBondContact O-N 3.37Å
987	F	49.3	Very low	51	Low	118 Å²	118	113.2 Å²	113.2	52%	0.518	57%	0.569	S	S	.	*	H	α-helix	trans	-67.4	-45.8	175.3	-174.5	-94.4	0	0	0	112.1	P983 K984 E985 Q989 I990 Q991	P983-F987 WeakPolarHBondContact O-CB 3.43Å; P983-F987 PolarHBondContact O-N 3.33Å; K984-F987 PolarHBondContact O-N 3.25Å; E985-F987 VanDerWaalsContact C-N 3.33Å; F987-Q989 VanDerWaalsContact C-N 3.35Å; F987-Q989 PolarHBondContact O-N 2.99Å; F987-I990 PolarHBondContact O-N 2.96Å; F987-I990 VanDerWaalsContact O-N 3.15Å; F987-Q991 HydrophobicContact CD1-CG 4.47Å; F987-Q991 HydrophobicContact CE1-CG 4Å; F987-Q991 HydrophobicContact CZ-CG 4.38Å; F987-Q991 PolarHBondContact O-N 3.29Å
988	E	55.4	Low	52.6	Low	86 Å²	86	109 Å²	109	40%	0.402	55%	0.553	S	S	.	*	H	α-helix	trans	-57.9	-45.3	174.3	-65.8	-61.4	150.8	0	0	111.5	K984 E985 I990 Q991 V992	K984-E988 WeakPolarHBondContact O-CG 3.33Å; K984-E988 PolarHBondContact O-N 3.03Å; E985-E988 PolarHBondContact O-N 3.06Å; E988-I990 VanDerWaalsContact C-N 3.31Å; E988-I990 PolarHBondContact O-N 3.33Å; E988-Q991 PolarHBondContact O-N 3.03Å; E988-V992 WeakPolarHBondContact O-CG2 3.29Å; E988-V992 PolarHBondContact O-N 2.94Å
989	Q	63.2	Low	53.8	Low	102 Å²	102	108.4 Å²	108.4	48%	0.477	54%	0.541	S	S	.	.	H	α-helix	trans	-62.1	-37.3	175.9	-74.8	-170.5	-21.6	0	0	112.7	E985 F987 I993	E985-Q989 WeakPolarHBondContact O-CG 3.46Å; E985-Q989 PolarHBondContact O-N 2.82Å; F987-Q989 VanDerWaalsContact C-N 3.35Å; F987-Q989 PolarHBondContact O-N 2.99Å; Q989-I993 WeakPolarHBondContact O-CD1 3.45Å; Q989-I993 VanDerWaalsContact O-CG1 3.24Å; Q989-I993 WeakPolarHBondContact O-CG1 3.2Å; Q989-I993 PolarHBondContact O-N 3.01Å
990	I	53.5	Low	55.4	Low	107 Å²	107	105 Å²	105	55%	0.549	53%	0.528	S	S	.	.	H	α-helix	trans	-67.9	-39.4	174.8	-71	165.6	0	0	0	111	L986 F987 E988 I993 Y994	L986-I990 WeakPolarHBondContact O-CD1 3.24Å; L986-I990 VanDerWaalsContact O-CG1 3.25Å; L986-I990 WeakPolarHBondContact O-CG1 3.19Å; L986-I990 PolarHBondContact O-N 3.37Å; F987-I990 PolarHBondContact O-N 2.96Å; F987-I990 VanDerWaalsContact O-N 3.15Å; E988-I990 VanDerWaalsContact C-N 3.31Å; E988-I990 PolarHBondContact O-N 3.33Å; I990-I993 PolarHBondContact O-N 3Å; I990-Y994 WeakPolarHBondContact O-CB 3.38Å; I990-Y994 PolarHBondContact O-N 3.28Å
991	Q	48.1	Very low	56.7	Low	106 Å²	106	102.3 Å²	102.3	50%	0.495	51%	0.513	S	S	.	.	H	α-helix	trans	-61.8	-48.6	173.6	-85.1	-150.9	-7.7	0	0	112.1	F987 E988 I993 Y994 S995	F987-Q991 HydrophobicContact CD1-CG 4.47Å; F987-Q991 HydrophobicContact CE1-CG 4Å; F987-Q991 HydrophobicContact CZ-CG 4.38Å; F987-Q991 PolarHBondContact O-N 3.29Å; E988-Q991 PolarHBondContact O-N 3.03Å; Q991-I993 VanDerWaalsContact C-N 3.3Å; Q991-I993 PolarHBondContact O-N 3Å; Q991-Y994 CarbonylContact O-C 3.29Å; Q991-Y994 PolarHBondContact O-N 3.04Å; Q991-S995 PolarHBondContact O-N 3.39Å; Q991-S995 PolarHBondContact O-OG 3.07Å
992	V	62.4	Low	57.2	Low	80 Å²	80	100.5 Å²	100.5	49%	0.485	51%	0.508	S	S	.	.	H	α-helix	trans	-62.4	-36.5	180	173.2	0	0	0	0	112	E988 S995 N996	E988-V992 WeakPolarHBondContact O-CG2 3.29Å; E988-V992 PolarHBondContact O-N 2.94Å; V992-S995 WeakPolarHBondContact CA-OG 3.12Å; V992-S995 PolarHBondContact O-OG 2.88Å; V992-S995 VanDerWaalsContact O-OG 3.05Å; V992-N996 WeakPolarHBondContact O-CB 3.4Å; V992-N996 PolarHBondContact O-N 3.03Å; V992-N996 PolarHBondContact O-OD1 3.39Å
993	I	60.7	Low	58.4	Low	111 Å²	111	102.8 Å²	102.8	57%	0.569	52%	0.516	S	S	*	.	H	α-helix	trans	-66.5	-41.2	172.7	-68.8	165.7	0	0	0	110.5	Q989 I990 Q991 V997	Q989-I993 WeakPolarHBondContact O-CD1 3.45Å; Q989-I993 VanDerWaalsContact O-CG1 3.24Å; Q989-I993 WeakPolarHBondContact O-CG1 3.2Å; Q989-I993 PolarHBondContact O-N 3.01Å; I990-I993 PolarHBondContact O-N 3Å; Q991-I993 VanDerWaalsContact C-N 3.3Å; Q991-I993 PolarHBondContact O-N 3Å; I993-V997 WeakPolarHBondContact O-CB 3.47Å; I993-V997 VanDerWaalsContact O-CG2 3.27Å; I993-V997 WeakPolarHBondContact O-CG2 3.46Å; I993-V997 PolarHBondContact O-N 3.4Å; I993-V997 VanDerWaalsContact O-N 3.09Å
994	Y	48.9	Very low	59.8	Low	169 Å²	169	104.5 Å²	104.5	66%	0.663	51%	0.512	S	S	*	.	H	α-helix	trans	-72.1	-37	-178.3	-161.7	-92	0	0	0	113.1	I990 Q991 R998	I990-Y994 WeakPolarHBondContact O-CB 3.38Å; I990-Y994 PolarHBondContact O-N 3.28Å; Q991-Y994 CarbonylContact O-C 3.29Å; Q991-Y994 PolarHBondContact O-N 3.04Å; Y994-R998 VanDerWaalsContact O-CB 3.27Å; Y994-R998 WeakPolarHBondContact O-CB 3.43Å; Y994-R998 PolarHBondContact O-N 3.46Å
995	S	57.9	Low	60.7	Low	46 Å²	46	100.5 Å²	100.5	32%	0.322	50%	0.504	S	S	.	.	H	α-helix	trans	-63.3	-50.4	173.6	59.4	0	0	0	0	110.7	Q991 V992 V997 R998 E999	Q991-S995 PolarHBondContact O-N 3.39Å; Q991-S995 PolarHBondContact O-OG 3.07Å; V992-S995 WeakPolarHBondContact CA-OG 3.12Å; V992-S995 PolarHBondContact O-OG 2.88Å; V992-S995 VanDerWaalsContact O-OG 3.05Å; S995-V997 VanDerWaalsContact C-N 3.32Å; S995-V997 PolarHBondContact O-N 2.9Å; S995-R998 WeakPolarHBondContact O-CB 3.45Å; S995-R998 PolarHBondContact O-N 2.86Å; S995-E999 PolarHBondContact O-N 3.33Å
996	N	62.6	Low	61	Low	78 Å²	78	100.9 Å²	100.9	42%	0.417	51%	0.508	S	S	.	.	H	α-helix	trans	-61	-39.5	-179.6	-68.9	1.6	0	0	0	112.2	V992 Q1000	V992-N996 WeakPolarHBondContact O-CB 3.4Å; V992-N996 PolarHBondContact O-N 3.03Å; V992-N996 PolarHBondContact O-OD1 3.39Å; N996-Q1000 WeakPolarHBondContact O-CB 3.2Å; N996-Q1000 VanDerWaalsContact O-CG 3.25Å; N996-Q1000 WeakPolarHBondContact O-CG 3.4Å; N996-Q1000 PolarHBondContact O-N 2.96Å
997	V	72.2	Confident	62.6	Low	88 Å²	88	100.1 Å²	100.1	53%	0.533	51%	0.505	S	S	.	.	H	α-helix	trans	-69.3	-37.1	175.4	170.2	0	0	0	0	111.7	I993 S995 A1001	I993-V997 WeakPolarHBondContact O-CB 3.47Å; I993-V997 VanDerWaalsContact O-CG2 3.27Å; I993-V997 WeakPolarHBondContact O-CG2 3.46Å; I993-V997 PolarHBondContact O-N 3.4Å; I993-V997 VanDerWaalsContact O-N 3.09Å; S995-V997 VanDerWaalsContact C-N 3.32Å; S995-V997 PolarHBondContact O-N 2.9Å; V997-A1001 WeakPolarHBondContact O-CB 3.48Å; V997-A1001 PolarHBondContact O-N 3.49Å; V997-A1001 VanDerWaalsContact O-N 3.12Å
998	R	62.2	Low	64.1	Low	171 Å²	171	99 Å²	99	65%	0.645	51%	0.507	S	S	*	.	H	α-helix	trans	-66.3	-46.2	176	-178.5	-176.6	177.1	-155.6	-2.4	111.6	Y994 S995 A1001 I1002	Y994-R998 VanDerWaalsContact O-CB 3.27Å; Y994-R998 WeakPolarHBondContact O-CB 3.43Å; Y994-R998 PolarHBondContact O-N 3.46Å; S995-R998 WeakPolarHBondContact O-CB 3.45Å; S995-R998 PolarHBondContact O-N 2.86Å; R998-A1001 PolarHBondContact O-N 3.21Å; R998-I1002 HydrophobicContact CG-CD1 3.94Å; R998-I1002 WeakPolarHBondContact O-CG1 3.44Å; R998-I1002 PolarHBondContact O-N 3.28Å
999	E	59.6	Low	65.1	Low	119 Å²	119	99.7 Å²	99.7	56%	0.556	51%	0.513	S	S	*	.	H	α-helix	trans	-62.5	-50	178	-74.1	175.1	-175.3	0	0	111	S995 A1001 I1002 T1003	S995-E999 PolarHBondContact O-N 3.33Å; E999-A1001 PolarHBondContact O-N 3.16Å; E999-A1001 VanDerWaalsContact O-N 3.15Å; E999-I1002 WeakPolarHBondContact O-CA 3.37Å; E999-I1002 PolarHBondContact O-N 2.87Å; E999-T1003 PolarHBondContact O-N 3.39Å; E999-T1003 PolarHBondContact O-OG1 3.4Å; E999-T1003 VanDerWaalsContact O-OG1 3.08Å
1000	Q	71.7	Confident	65.7	Low	133 Å²	133	99 Å²	99	62%	0.621	51%	0.512	S	S	*	.	H	α-helix	trans	-59	-29.3	176.3	-72.7	178	10	0	0	113.6	N996 K1004	N996-Q1000 WeakPolarHBondContact O-CB 3.2Å; N996-Q1000 VanDerWaalsContact O-CG 3.25Å; N996-Q1000 WeakPolarHBondContact O-CG 3.4Å; N996-Q1000 PolarHBondContact O-N 2.96Å; Q1000-K1004 WeakPolarHBondContact O-CB 3.44Å; Q1000-K1004 WeakPolarHBondContact O-CG 3.48Å; Q1000-K1004 PolarHBondContact O-N 3.46Å
1001	A	66.3	Low	67	Low	60 Å²	60	99.2 Å²	99.2	50%	0.496	51%	0.511	S	S	.	.	H	α-helix	trans	-74.5	-37.7	173.3	0	0	0	0	0	112.5	V997 R998 E999 A1005	V997-A1001 WeakPolarHBondContact O-CB 3.48Å; V997-A1001 PolarHBondContact O-N 3.49Å; V997-A1001 VanDerWaalsContact O-N 3.12Å; R998-A1001 PolarHBondContact O-N 3.21Å; E999-A1001 PolarHBondContact O-N 3.16Å; E999-A1001 VanDerWaalsContact O-N 3.15Å; A1001-A1005 WeakPolarHBondContact O-CB 3.39Å; A1001-A1005 PolarHBondContact O-N 3.02Å; A1001-A1005 VanDerWaalsContact O-N 3.09Å
1002	I	55.5	Low	68.7	Low	83 Å²	83	98.5 Å²	98.5	43%	0.426	51%	0.511	S	S	.	.	H	α-helix	trans	-68.7	-47	176.1	-68.6	166	0	0	0	110.7	R998 E999 K1004 A1005 L1006	R998-I1002 HydrophobicContact CG-CD1 3.94Å; R998-I1002 WeakPolarHBondContact O-CG1 3.44Å; R998-I1002 PolarHBondContact O-N 3.28Å; E999-I1002 WeakPolarHBondContact O-CA 3.37Å; E999-I1002 PolarHBondContact O-N 2.87Å; I1002-K1004 PolarHBondContact O-N 3.33Å; I1002-A1005 WeakPolarHBondContact O-CB 3.34Å; I1002-A1005 PolarHBondContact O-N 3.43Å; I1002-A1005 VanDerWaalsContact O-N 3.09Å; I1002-L1006 HydrophobicContact CG2-CD1 4.02Å; I1002-L1006 PolarHBondContact O-N 3.45Å
1003	T	72.3	Confident	69.3	Low	77 Å²	77	101.3 Å²	101.3	47%	0.472	52%	0.517	S	S	.	.	H	α-helix	trans	-57.2	-48.3	176.9	-46.2	0	0	0	0	110.9	E999 A1005 L1006 D1007	E999-T1003 PolarHBondContact O-N 3.39Å; E999-T1003 PolarHBondContact O-OG1 3.4Å; E999-T1003 VanDerWaalsContact O-OG1 3.08Å; T1003-A1005 VanDerWaalsContact C-N 3.29Å; T1003-A1005 PolarHBondContact O-N 2.96Å; T1003-L1006 PolarHBondContact O-N 3.06Å; T1003-L1006 VanDerWaalsContact O-N 3.16Å; T1003-D1007 VanDerWaalsContact O-CG 3.24Å; T1003-D1007 PolarHBondContact O-N 3.17Å
1004	K	78.1	Confident	70.3	Confident	151 Å²	151	100.8 Å²	100.8	66%	0.657	52%	0.515	S	S	*	.	H	α-helix	trans	-62.4	-32.5	176.5	-78.7	-176	174.1	-178	0	113.9	Q1000 I1002 T1008	Q1000-K1004 WeakPolarHBondContact O-CB 3.44Å; Q1000-K1004 WeakPolarHBondContact O-CG 3.48Å; Q1000-K1004 PolarHBondContact O-N 3.46Å; I1002-K1004 PolarHBondContact O-N 3.33Å; K1004-T1008 WeakPolarHBondContact O-CB 3.24Å; K1004-T1008 PolarHBondContact O-N 2.9Å; K1004-T1008 VanDerWaalsContact O-N 3.1Å; K1004-T1008 PolarHBondContact O-OG1 2.76Å
1005	A	67.4	Low	72	Confident	48 Å²	48	98.5 Å²	98.5	40%	0.397	51%	0.509	S	S	.	.	H	α-helix	trans	-67.8	-44.3	175	0	0	0	0	0	110.9	A1001 I1002 T1003 T1008 I1009	A1001-A1005 WeakPolarHBondContact O-CB 3.39Å; A1001-A1005 PolarHBondContact O-N 3.02Å; A1001-A1005 VanDerWaalsContact O-N 3.09Å; I1002-A1005 WeakPolarHBondContact O-CB 3.34Å; I1002-A1005 PolarHBondContact O-N 3.43Å; I1002-A1005 VanDerWaalsContact O-N 3.09Å; T1003-A1005 VanDerWaalsContact C-N 3.29Å; T1003-A1005 PolarHBondContact O-N 2.96Å; A1005-T1008 PolarHBondContact O-N 2.6Å; A1005-I1009 VanDerWaalsContact O-CG1 3.29Å; A1005-I1009 WeakPolarHBondContact O-CG1 3.4Å; A1005-I1009 PolarHBondContact O-N 3.44Å
1006	L	64.4	Low	72.7	Confident	92 Å²	92	101 Å²	101	48%	0.482	51%	0.514	S	S	.	.	H	α-helix	trans	-62.2	-48.1	175.1	-71	165	0	0	0	111.8	I1002 T1003 T1008 I1009 N1010	I1002-L1006 HydrophobicContact CG2-CD1 4.02Å; I1002-L1006 PolarHBondContact O-N 3.45Å; T1003-L1006 PolarHBondContact O-N 3.06Å; T1003-L1006 VanDerWaalsContact O-N 3.16Å; L1006-T1008 PolarHBondContact O-N 2.63Å; L1006-I1009 PolarHBondContact O-N 3.41Å; L1006-I1009 VanDerWaalsContact O-N 3.11Å; L1006-N1010 VanDerWaalsContact O-CG 3.28Å; L1006-N1010 PolarHBondContact O-N 3.02Å; L1006-N1010 PolarHBondContact O-OD1 3.23Å
1007	D	81.9	Confident	73	Confident	78 Å²	78	100.4 Å²	100.4	42%	0.417	51%	0.513	S	S	.	.	H	α-helix	trans	-55.3	-40	175.2	-64.7	-28.3	0	0	0	111.8	T1003 Q1011	T1003-D1007 VanDerWaalsContact O-CG 3.24Å; T1003-D1007 PolarHBondContact O-N 3.17Å; D1007-Q1011 WeakPolarHBondContact O-CB 3.48Å; D1007-Q1011 VanDerWaalsContact O-CG 3.29Å; D1007-Q1011 WeakPolarHBondContact O-CG 3.48Å; D1007-Q1011 PolarHBondContact O-N 2.72Å; D1007-Q1011 VanDerWaalsContact O-N 3.08Å
1008	T	81.7	Confident	73.3	Confident	93 Å²	93	102 Å²	102	57%	0.571	52%	0.515	S	S	*	.	H	α-helix	trans	-71	-38.1	179	-54.9	0	0	0	0	112	K1004 A1005 L1006 D1012	K1004-T1008 WeakPolarHBondContact O-CB 3.24Å; K1004-T1008 PolarHBondContact O-N 2.9Å; K1004-T1008 VanDerWaalsContact O-N 3.1Å; K1004-T1008 PolarHBondContact O-OG1 2.76Å; A1005-T1008 PolarHBondContact O-N 2.6Å; L1006-T1008 PolarHBondContact O-N 2.63Å; T1008-D1012 WeakPolarHBondContact O-CB 3.33Å; T1008-D1012 PolarHBondContact O-N 3.4Å
1009	I	75.5	Confident	73.9	Confident	101 Å²	101	99.9 Å²	99.9	52%	0.518	51%	0.512	S	S	.	.	H	α-helix	trans	-67.5	-46.3	176.9	-71.4	163.5	0	0	0	110.1	A1005 L1006 Q1011 D1012 F1013	A1005-I1009 VanDerWaalsContact O-CG1 3.29Å; A1005-I1009 WeakPolarHBondContact O-CG1 3.4Å; A1005-I1009 PolarHBondContact O-N 3.44Å; L1006-I1009 PolarHBondContact O-N 3.41Å; L1006-I1009 VanDerWaalsContact O-N 3.11Å; I1009-Q1011 PolarHBondContact O-N 3Å; I1009-D1012 CarbonylContact O-C 3.56Å; I1009-D1012 PolarHBondContact O-N 2.99Å; I1009-D1012 VanDerWaalsContact O-N 3.12Å; I1009-F1013 PolarHBondContact O-N 3.27Å
1010	N	76.6	Confident	74.4	Confident	88 Å²	88	98.9 Å²	98.9	47%	0.471	51%	0.509	S	S	.	.	H	α-helix	trans	-59.5	-49	178.1	-66.7	-7.3	0	0	0	110.6	L1006 D1012 F1013 D1014	L1006-N1010 VanDerWaalsContact O-CG 3.28Å; L1006-N1010 PolarHBondContact O-N 3.02Å; L1006-N1010 PolarHBondContact O-OD1 3.23Å; N1010-D1012 PolarHBondContact O-N 3.49Å; N1010-D1012 VanDerWaalsContact O-N 3.16Å; N1010-F1013 CarbonylContact O-C 3.56Å; N1010-F1013 WeakPolarHBondContact O-CA 3.45Å; N1010-F1013 WeakPolarHBondContact O-CB 3.46Å; N1010-F1013 PolarHBondContact O-N 3.05Å; N1010-D1014 PolarHBondContact O-N 3.35Å
1011	Q	82	Confident	74.4	Confident	111 Å²	111	96.5 Å²	96.5	52%	0.519	51%	0.507	S	S	.	.	H	α-helix	trans	-62	-24	176.2	-74	178.6	24.8	0	0	114.9	D1007 I1009 K1015	D1007-Q1011 WeakPolarHBondContact O-CB 3.48Å; D1007-Q1011 VanDerWaalsContact O-CG 3.29Å; D1007-Q1011 WeakPolarHBondContact O-CG 3.48Å; D1007-Q1011 PolarHBondContact O-N 2.72Å; D1007-Q1011 VanDerWaalsContact O-N 3.08Å; I1009-Q1011 PolarHBondContact O-N 3Å; Q1011-K1015 VanDerWaalsContact O-CD 3.26Å; Q1011-K1015 WeakPolarHBondContact O-CD 3.33Å; Q1011-K1015 VanDerWaalsContact O-CG 3.24Å; Q1011-K1015 WeakPolarHBondContact O-CG 3.32Å; Q1011-K1015 PolarHBondContact O-N 3.38Å
1012	D	82.5	Confident	74.5	Confident	92 Å²	92	100.5 Å²	100.5	49%	0.492	52%	0.515	S	S	.	.	H	α-helix	trans	-89.4	-17.7	175.5	-166.2	56.3	0	0	0	112.1	T1008 I1009 N1010 K1016	T1008-D1012 WeakPolarHBondContact O-CB 3.33Å; T1008-D1012 PolarHBondContact O-N 3.4Å; I1009-D1012 CarbonylContact O-C 3.56Å; I1009-D1012 PolarHBondContact O-N 2.99Å; I1009-D1012 VanDerWaalsContact O-N 3.12Å; N1010-D1012 PolarHBondContact O-N 3.49Å; N1010-D1012 VanDerWaalsContact O-N 3.16Å; D1012-K1016 WeakPolarHBondContact O-CG 3.33Å; D1012-K1016 PolarHBondContact O-NZ 2.78Å; D1012-K1016 IonicContact OD1-NZ 3.96Å; D1012-K1016 IonicContact OD2-NZ 3.54Å; D1012-K1016 PolarHBondContact OD2-NZ 2.65Å
1013	F	74.7	Confident	75	Confident	139 Å²	139	102.8 Å²	102.8	61%	0.61	53%	0.528	S	S	*	.	H	α-helix	trans	-80.6	-51.8	169.3	-160.1	-84.5	0	0	0	110.3	I1009 N1010 K1015 K1016 T1017	I1009-F1013 PolarHBondContact O-N 3.27Å; N1010-F1013 CarbonylContact O-C 3.56Å; N1010-F1013 WeakPolarHBondContact O-CA 3.45Å; N1010-F1013 WeakPolarHBondContact O-CB 3.46Å; N1010-F1013 PolarHBondContact O-N 3.05Å; F1013-K1015 VanDerWaalsContact C-N 3.31Å; F1013-K1015 PolarHBondContact O-N 2.95Å; F1013-K1016 WeakPolarHBondContact O-CA 3.44Å; F1013-K1016 WeakPolarHBondContact O-CB 3.46Å; F1013-K1016 PolarHBondContact O-N 2.91Å; F1013-T1017 PolarHBondContact O-N 2.92Å; F1013-T1017 PolarHBondContact O-OG1 2.77Å
1014	D	83	Confident	74.6	Confident	100 Å²	100	108 Å²	108	54%	0.535	55%	0.551	S	S	.	*	H	α-helix	trans	-51.4	-49	176.8	-64.4	-28.5	0	0	0	111.2	N1010 K1016 T1017 E1018	N1010-D1014 PolarHBondContact O-N 3.35Å; D1014-K1016 VanDerWaalsContact C-N 3.32Å; D1014-K1016 PolarHBondContact O-N 3Å; D1014-T1017 WeakPolarHBondContact O-CB 3.25Å; D1014-T1017 PolarHBondContact O-N 2.74Å; D1014-E1018 WeakPolarHBondContact O-CB 3.3Å; D1014-E1018 PolarHBondContact O-N 3.46Å
1015	K	83	Confident	74.5	Confident	121 Å²	121	105.8 Å²	105.8	53%	0.526	55%	0.545	S	S	.	.	H	α-helix	trans	-62.6	-33.4	176.8	-76.1	171	-170.1	148.3	0	113.9	Q1011 F1013 Q1019	Q1011-K1015 VanDerWaalsContact O-CD 3.26Å; Q1011-K1015 WeakPolarHBondContact O-CD 3.33Å; Q1011-K1015 VanDerWaalsContact O-CG 3.24Å; Q1011-K1015 WeakPolarHBondContact O-CG 3.32Å; Q1011-K1015 PolarHBondContact O-N 3.38Å; F1013-K1015 VanDerWaalsContact C-N 3.31Å; F1013-K1015 PolarHBondContact O-N 2.95Å; K1015-Q1019 WeakPolarHBondContact O-CB 3.5Å; K1015-Q1019 PolarHBondContact O-N 3.13Å
1016	K	74.4	Confident	74.8	Confident	99 Å²	99	108.8 Å²	108.8	43%	0.43	55%	0.553	S	S	.	*	H	α-helix	trans	-72.6	-39.6	174.6	-76.1	-174.5	-160.5	78.2	0	110.8	D1012 F1013 D1014 Q1019 I1020	D1012-K1016 WeakPolarHBondContact O-CG 3.33Å; D1012-K1016 PolarHBondContact O-NZ 2.78Å; D1012-K1016 IonicContact OD1-NZ 3.96Å; D1012-K1016 IonicContact OD2-NZ 3.54Å; D1012-K1016 PolarHBondContact OD2-NZ 2.65Å; F1013-K1016 WeakPolarHBondContact O-CA 3.44Å; F1013-K1016 WeakPolarHBondContact O-CB 3.46Å; F1013-K1016 PolarHBondContact O-N 2.91Å; D1014-K1016 VanDerWaalsContact C-N 3.32Å; D1014-K1016 PolarHBondContact O-N 3Å; K1016-Q1019 PolarHBondContact O-N 2.99Å; K1016-I1020 WeakPolarHBondContact O-CB 3.32Å; K1016-I1020 WeakPolarHBondContact O-CD1 3.09Å; K1016-I1020 WeakPolarHBondContact O-CG1 3.36Å; K1016-I1020 PolarHBondContact O-N 3.11Å
1017	T	67.5	Low	75.4	Confident	64 Å²	64	109.8 Å²	109.8	39%	0.393	56%	0.557	S	S	.	*	H	α-helix	trans	-61.6	-48	173.3	-52.9	0	0	0	0	110.5	F1013 D1014 Q1019 I1020 C1021	F1013-T1017 PolarHBondContact O-N 2.92Å; F1013-T1017 PolarHBondContact O-OG1 2.77Å; D1014-T1017 WeakPolarHBondContact O-CB 3.25Å; D1014-T1017 PolarHBondContact O-N 2.74Å; T1017-Q1019 VanDerWaalsContact C-N 3.33Å; T1017-Q1019 PolarHBondContact O-N 2.96Å; T1017-I1020 PolarHBondContact O-N 3.19Å; T1017-I1020 VanDerWaalsContact O-N 3.17Å; T1017-C1021 WeakPolarHBondContact O-CB 3.34Å; T1017-C1021 PolarHBondContact O-N 3.02Å; T1017-C1021 PolarHBondContact O-SG 3.13Å
1018	E	79.5	Confident	75	Confident	123 Å²	123	111.6 Å²	111.6	58%	0.575	57%	0.565	S	S	*	*	H	α-helix	trans	-58.1	-44.2	175	-141.3	-177.1	-171.1	0	0	111.5	D1014 C1021 Q1022	D1014-E1018 WeakPolarHBondContact O-CB 3.3Å; D1014-E1018 PolarHBondContact O-N 3.46Å; E1018-C1021 PolarHBondContact O-N 3.08Å; E1018-Q1022 WeakPolarHBondContact O-CG 3.45Å; E1018-Q1022 PolarHBondContact O-N 3.07Å
1019	Q	74	Confident	74.6	Confident	125 Å²	125	112.8 Å²	112.8	58%	0.584	57%	0.565	S	S	*	*	H	α-helix	trans	-69.7	-31.8	177.3	-171.6	169.3	24.9	0	0	112.9	K1015 K1016 T1017 Q1022 N1023	K1015-Q1019 WeakPolarHBondContact O-CB 3.5Å; K1015-Q1019 PolarHBondContact O-N 3.13Å; K1016-Q1019 PolarHBondContact O-N 2.99Å; T1017-Q1019 VanDerWaalsContact C-N 3.33Å; T1017-Q1019 PolarHBondContact O-N 2.96Å; Q1019-Q1022 PolarHBondContact O-N 3.29Å; Q1019-N1023 PolarHBondContact O-N 3.2Å; Q1019-N1023 PolarHBondContact O-ND2 3.2Å
1020	I	70	Confident	74.6	Confident	99 Å²	99	113.6 Å²	113.6	51%	0.508	57%	0.568	S	S	.	*	H	α-helix	trans	-68.6	-46.9	172.4	-72.7	162.7	0	0	0	109.5	K1016 T1017 Q1022 N1023 I1024	K1016-I1020 WeakPolarHBondContact O-CB 3.32Å; K1016-I1020 WeakPolarHBondContact O-CD1 3.09Å; K1016-I1020 WeakPolarHBondContact O-CG1 3.36Å; K1016-I1020 PolarHBondContact O-N 3.11Å; T1017-I1020 PolarHBondContact O-N 3.19Å; T1017-I1020 VanDerWaalsContact O-N 3.17Å; I1020-Q1022 PolarHBondContact O-N 3.43Å; I1020-Q1022 VanDerWaalsContact O-N 3.16Å; I1020-N1023 PolarHBondContact O-N 3.23Å; I1020-I1024 HydrophobicContact CG2-CD1 3.79Å; I1020-I1024 WeakPolarHBondContact O-CG1 3.32Å; I1020-I1024 PolarHBondContact O-N 3.35Å
1021	C	71.2	Confident	74.4	Confident	83 Å²	83	115.4 Å²	115.4	56%	0.561	58%	0.575	S	S	*	*	H	α-helix	trans	-67.4	-9.6	176.4	-63.4	0	0	0	0	114.6	T1017 E1018	T1017-C1021 WeakPolarHBondContact O-CB 3.34Å; T1017-C1021 PolarHBondContact O-N 3.02Å; T1017-C1021 PolarHBondContact O-SG 3.13Å; E1018-C1021 PolarHBondContact O-N 3.08Å
1022	Q	68.9	Low	73.8	Confident	144 Å²	144	115.8 Å²	115.8	67%	0.673	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	-9.7	169.2	-74.2	176.8	16.6	0	0	113.6	E1018 Q1019 I1020	E1018-Q1022 WeakPolarHBondContact O-CG 3.45Å; E1018-Q1022 PolarHBondContact O-N 3.07Å; Q1019-Q1022 PolarHBondContact O-N 3.29Å; I1020-Q1022 PolarHBondContact O-N 3.43Å; I1020-Q1022 VanDerWaalsContact O-N 3.16Å
1023	N	65.5	Low	73.1	Confident	130 Å²	130	117.8 Å²	117.8	70%	0.695	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102	-7.5	175.5	-74.6	-55.4	0	0	0	112.9	Q1019 I1020	Q1019-N1023 PolarHBondContact O-N 3.2Å; Q1019-N1023 PolarHBondContact O-ND2 3.2Å; I1020-N1023 PolarHBondContact O-N 3.23Å
1024	I	65.7	Low	73	Confident	186 Å²	186	115.8 Å²	115.8	95%	0.954	59%	0.585	S	S	*	*			trans	-95.8	0	172.9	-64.4	169.7	0	0	0	108.4	I1020	I1020-I1024 HydrophobicContact CG2-CD1 3.79Å; I1020-I1024 WeakPolarHBondContact O-CG1 3.32Å; I1020-I1024 PolarHBondContact O-N 3.35Å

Retrieved 1,024 of 1,024 residues in 1321.5 ms (Link to these results)

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