A0A5K4FEJ5_SCHMA Loading...

ARID domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FEJ5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,227 aa.

						>A0A5K4FEJ5_SCHMA|A0A5K4FEJ5
MNMSSISMDKTQVSSVPENEALNSDAPGSGQCFPSSFLTVGTAVSAKYRGAFCEATVDHVDLKFRLRVQLKTNKSYVSVDETCLISGSPVIGNEVVVRVANETALPNEQAAIVIRVTDSSIYTVVFDDGDKRTLRRTQLVIKGERHFKESESLDCLPLTNPEQFRQPVIDQRRKYRSGEDGSSILDENMDEIETEDVDERSVVKDFNQTISYQPNGNSDKLTDRNDADDFDPNCSNVTEQNDEGRTRSLEANTNISNMGATDLKHLPASYCRLLGRLVMVDMPLTGKDGFGSPSYGSSTPACKSSGVTPRRRFTPAVVVLPSAMPSIDLGSLSNIAKTHKSYKLLVRSFKDNRFLAVPVEFVKRLKRPDAVELAHTYPALRPAFERALLWLDRHEFPVSWGENAVQTMLGTKNWRYSRRRSRQAASDFTDSINSSPLSLKHTRASSSSSSEASRSPNTCRGLIQNSRGRPTKLLEHSTRKRPRQSDKTQGSRSSSRLKIKRLKGNILRSIKPDKRQSDVSSNESFHMESSKRSASNYKVIKKSTNSHQKSTTSLKYERNPISGGDLFDSVSSNEASANSSESDSDTGSISSSTSSNITVSTVSTPSSISSSLNSSSSSVNSSSISSSDNSGTSRSYNSSDNSSTSSVAKFEARDRWIAQLYRFMDERGTPINKAPSLANKDLDLYKLYKLVHKLGGFHRVSSQLKWGYVYSKMDLPQNFSAGPRNLQAAFKKYLYPWDDISKKLGTNLCELPRSRPRYPSSAQNSNTNISAANSTGTNTNNSASNNTSQTKQSLDSGNAETDSKYSNIEVSETVENSSVGVNKNVRTVNSAPITTIDNTITTTTIKKRTSDKASQQLIVGRFKQSDDEHTGAHHNTPMRKSTSSSPSSSLGMAKSSNFVSTTDDLDKPISSASSNSSSKSAPLKNRKRFYDSTMLNLPLLNFGRESIDRVEDLSNCIIPVRSRVRVRCGDHVAYEAKILKHLRPQPALCGLKTDNSADSLSTASWSGVGDIQYRVHYMGWNTRHDEVVPRSRIISVIEWGRGTDEDRPQSCSSLSPIVHEPQKSTLKNQNIVTHSKRECDRSLGSTEINVNEKDKEIFKYFATEDAHEDEESIHSQTTETASDNITTTAPIVRRRRLMFSSLKPGRRLSSRKLSISKRNEFCSKKTPKLPLLASGCLSKPYSSVSKDSNNNSNTEKKLEDTNAGSKKLKTTSSGCKTKQLSINLRGRISKKIKPIKRPHSNLSIASDVFSTSSPNRSSVKLSAKSKKLKMENLSNESINSEICHNTTGLSTPLVVDTKRLVTDRSLSVDCKKEPIDFEDDVNQASSTLHSKLSCQRDQIEPTRTSSSSSGPVSKSKLSTLKSKISSSSTIRAKNLVSKLSKLAKRKFTNELRILSRQKSKRNVNNDKHQPPMNDDSSKKKLSSESPSILMISKEYKNLKSSLLNDNKQMIMNEHQNTECSLSNNSVIIKVDEENKSIPSNEKPQKSITKRNRPKEKGADISSYRLQKKLNNTTDTLERGDTTKSTCMEEKLSDPSMSTSTCSSGSSGAVLKKVDEEKINIKSPDKLLTKKSSKSTMGSEQAKTTKYNNNPTLHFEDISDAESPNSNERKTTSKLSRSRLRHSTQNSSNSSPNTFQKHIRIIKSSTTISNGSSNTSDTDDGSEQEIHRSFETSHNESSDGSSNSSSESVYGPNDALPRLTRSQHKQLLGDTPPGSALQTASPAICNRTASSVVAAKLLSNSKRSRTKEVNKIVQSKSGQQSLEKTEDTNKISLCSNTDLMSSSLSSEVNYLNDNVPNVEAEVHLEETNIHKTKVNVSLDNEISEDTEINEIDLSIKQETIESSMNSSAPHLSPEIIDDNTQVNDSHVNELQTENISPTSITMHNRQEKVKKEEEEETGQKIREDHGIPNDNVNDDDDNDDDQSSVQTMSTDPMDGLSYDLTMSSEKTHLHLSSSKEDEDVECCIDNDHHRHQTQQHANNIPETMSTLSNDENHHSVDDIVNDNEELNVTVVNKPHTELPTIDEEEEETEQQQQDDDKVVELEQGSISKISSRSRIRRSSNNSNSTDASHKRGNKRIHSTPHRATGSENSPVPALESPHYHPPTSPHSTLGTSPLPSCSKSLQNHPVDRSISNHRRFGGPFFPIAGFYDLPSDVKCQVLQERMHRILEAWRLAKQYLKDLDQRSNRTRRLKARQNLETLTSSSNSNSTSQNCRQLIDEPPYATNDIAYT
					

Structure Viewer

Loading PAE data...

(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	31.3	Very low	30.8	Very low	235 Å²	235	137.3 Å²	137.3	100%	1.158	74%	0.742	S	S	*	*				0	152.5	0	-75	154.6	164.3	0	0	107.9
2	N	32.4	Very low	30.9	Very low	151 Å²	151	140.3 Å²	140.3	81%	0.807	75%	0.747	S	S	*	*			trans	39.6	89	164.3	-59.3	13.5	0	0	0	120.3
3	M	25.4	Very low	30.7	Very low	96 Å²	96	135.4 Å²	135.4	47%	0.473	73%	0.726	S	S	.	*				25.7	115.7	105.9	-65	-73.3	93.6	0	0	120.5	D1123 I1125	M3-D1123 WeakPolarHBondContact CE-O 3.48Å; M3-I1125 HydrophobicContact CE-CD1 4.08Å; M3-I1125 HydrophobicContact CE-CG1 3.68Å; M3-I1125 HydrophobicContact SD-CD1 3.71Å; M3-I1125 HydrophobicContact SD-CG1 3.87Å
4	S	29.7	Very low	30.6	Very low	69 Å²	69	134.1 Å²	134.1	48%	0.483	73%	0.732	S	S	.	*				65.8	117	118.8	78.7	0	0	0	0	124	D1123	S4-D1123 WeakPolarHBondContact CB-O 3.36Å
5	S	31.1	Very low	30.3	Very low	65 Å²	65	130.6 Å²	130.6	46%	0.455	72%	0.722	S	S	.	*				59.2	134.5	115.2	-53	0	0	0	0	122.6	S1122	S5-S1122 WeakPolarHBondContact OG-CA 3.41Å; S5-S1122 PolarHBondContact OG-N 2.89Å
6	I	36	Very low	30.3	Very low	162 Å²	162	131.1 Å²	131.1	83%	0.831	73%	0.729	S	S	*	*			trans	-151.7	162.8	134.4	-112.2	159.4	0	0	0	111.2
7	S	27.8	Very low	30.5	Very low	109 Å²	109	128.9 Å²	128.9	76%	0.762	72%	0.722	S	S	*	*			trans	-118.1	154.4	175.9	-172.7	0	0	0	0	110
8	M	34.1	Very low	30.2	Very low	181 Å²	181	131 Å²	131	89%	0.892	73%	0.725	S	S	*	*			trans	-111	169.5	161.7	-70.4	-157.2	73.3	0	0	111.6
9	D	31.5	Very low	30	Very low	136 Å²	136	130.9 Å²	130.9	73%	0.727	72%	0.724	S	S	*	*			trans	-120.8	-175.5	-159.6	-148.8	-25.3	0	0	0	112.9
10	K	29	Very low	29.8	Very low	172 Å²	172	133 Å²	133	75%	0.748	73%	0.728	S	S	*	*			trans	-86.3	154.5	-164.9	-43.2	130.7	-168.8	122.7	0	115.3
11	T	30	Very low	29.7	Very low	134 Å²	134	130.4 Å²	130.4	82%	0.822	72%	0.724	S	S	*	*			trans	-162.8	157.4	135	23.5	0	0	0	0	107.1
12	Q	32.7	Very low	29.4	Very low	173 Å²	173	126.8 Å²	126.8	81%	0.808	71%	0.708	S	S	*	*			cis	-145.6	-175.2	-0.7	-138	-179	48.2	0	0	108.6
13	V	28.3	Very low	29.3	Very low	77 Å²	77	127.1 Å²	127.1	47%	0.467	71%	0.71	S	S	.	*			trans	-134.1	134.3	173	166.9	0	0	0	0	111.1
14	S	28.8	Very low	29.2	Very low	117 Å²	117	126.9 Å²	126.9	82%	0.818	72%	0.718	S	S	*	*			trans	-139.2	-179.8	156.7	71.2	0	0	0	0	109.3
15	S	26.8	Very low	29	Very low	82 Å²	82	131.3 Å²	131.3	57%	0.573	74%	0.736	S	S	*	*			trans	-147.5	138	-141.2	55.9	0	0	0	0	116.9
16	V	29.5	Very low	28.8	Very low	138 Å²	138	132.8 Å²	132.8	84%	0.836	75%	0.752	S	S	*	*			trans	72.3	154.6	139.1	170.4	0	0	0	0	116.2
17	P	34.9	Very low	28.6	Very low	95 Å²	95	131.6 Å²	131.6	62%	0.617	76%	0.755	S	S	*	*			cis	-123.2	-179.9	-7.5	39.5	-23.8	0	0	0	115.6
18	E	24.5	Very low	28.5	Very low	166 Å²	166	130.2 Å²	130.2	78%	0.776	76%	0.758	S	S	*	*			trans	38	136	136.6	-68.9	159.1	-154.3	0	0	121.3
19	N	26.3	Very low	28.1	Very low	130 Å²	130	127.7 Å²	127.7	70%	0.695	76%	0.758	S	S	*	*			cis	-166.2	163.3	37.4	-115	-26.6	0	0	0	115
20	E	25.2	Very low	27.9	Very low	172 Å²	172	124.7 Å²	124.7	80%	0.804	76%	0.759	S	S	*	*			trans	67.8	153.3	148.4	-75.5	-59.8	147.6	0	0	125.3
21	A	28.7	Very low	28.1	Very low	79 Å²	79	123.6 Å²	123.6	65%	0.653	76%	0.757	S	S	*	*			trans	66.2	99.5	158	0	0	0	0	0	123.7
22	L	25.7	Very low	28.1	Very low	158 Å²	158	123.2 Å²	123.2	83%	0.827	76%	0.758	S	S	*	*				36.2	114.9	126.5	-60.3	167.5	0	0	0	121.2
23	N	28.9	Very low	28.6	Very low	159 Å²	159	118.9 Å²	118.9	85%	0.85	74%	0.737	S	S	*	*				-177.8	173.2	105.6	-102.5	-59.5	0	0	0	117.3
24	S	24.6	Very low	29.7	Very low	90 Å²	90	116.6 Å²	116.6	63%	0.629	72%	0.723	S	S	*	*			trans	-60.2	154.2	-171.7	57.4	0	0	0	0	120.3
25	D	24.2	Very low	31	Very low	163 Å²	163	117.2 Å²	117.2	87%	0.872	73%	0.728	S	S	*	*			trans	47.4	105.7	140.1	-70.7	-46.9	0	0	0	121.8
26	A	27.1	Very low	33.1	Very low	96 Å²	96	115.2 Å²	115.2	79%	0.793	71%	0.713	S	S	*	*			trans	-147.9	134.8	142.2	0	0	0	0	0	111.2	G28	A26-G28 PolarHBondContact O-N 3.31Å
27	P	31.5	Very low	35.9	Very low	137 Å²	137	109.8 Å²	109.8	89%	0.89	68%	0.679	S	S	*	*			trans	-87.3	110.7	-172.3	32.2	-34	0	0	0	113.8
28	G	25.9	Very low	38.6	Very low	79 Å²	79	105.8 Å²	105.8	81%	0.814	65%	0.652	S	S	*	*			trans	-79.1	132	173.5	0	0	0	0	0	113.8	A26 G30	A26-G28 PolarHBondContact O-N 3.31Å; G28-G30 PolarHBondContact O-N 3.17Å
29	S	25.7	Very low	41.8	Very low	129 Å²	129	101.7 Å²	101.7	90%	0.902	64%	0.638	S	S	*	*			trans	-70.5	119	177.5	52.8	0	0	0	0	112.8
30	G	26.7	Very low	45.1	Very low	72 Å²	72	99.7 Å²	99.7	74%	0.742	63%	0.631	S	S	*	*			trans	-134.2	138.5	172.8	0	0	0	0	0	111.4	G28	G28-G30 PolarHBondContact O-N 3.17Å
31	Q	33.4	Very low	48.3	Very low	150 Å²	150	94.2 Å²	94.2	70%	0.701	62%	0.62	S	S	*	*			trans	-56.7	137.3	-169.9	-63.2	177.8	2.9	0	0	113.1	F33	Q31-F33 HydrophobicContact CB-CD1 4.45Å; Q31-F33 HydrophobicContact CB-CE1 3.97Å; Q31-F33 HydrophobicContact CB-CE2 4.13Å; Q31-F33 HydrophobicContact CB-CZ 3.81Å; Q31-F33 VanDerWaalsContact O-CD2 3.28Å; Q31-F33 WeakPolarHBondContact O-CD2 3.04Å; Q31-F33 PolarHBondContact O-N 2.91Å; Q31-F33 VanDerWaalsContact OE1-CE1 3.26Å
32	C	30.1	Very low	51.5	Low	125 Å²	125	91.8 Å²	91.8	85%	0.845	60%	0.597	S	S	*	*			trans	-76.2	73.8	174.1	-175.5	0	0	0	0	110.7
33	F	43.5	Very low	54.8	Low	83 Å²	83	86.2 Å²	86.2	36%	0.364	57%	0.574	S	S	.	*			trans	-54.7	137.9	173.1	-59.6	-65.6	0	0	0	110.6	Q31 F37 T39 L62	Q31-F33 HydrophobicContact CB-CD1 4.45Å; Q31-F33 HydrophobicContact CB-CE1 3.97Å; Q31-F33 HydrophobicContact CB-CE2 4.13Å; Q31-F33 HydrophobicContact CB-CZ 3.81Å; Q31-F33 VanDerWaalsContact O-CD2 3.28Å; Q31-F33 WeakPolarHBondContact O-CD2 3.04Å; Q31-F33 PolarHBondContact O-N 2.91Å; Q31-F33 VanDerWaalsContact OE1-CE1 3.26Å; F33-F37 HydrophobicContact CB-CD2 4.4Å; F33-T39 HydrophobicContact CD2-CG2 4.46Å; F33-L62 HydrophobicContact CD1-CD1 4.12Å; F33-L62 HydrophobicContact CE1-CD1 3.39Å; F33-L62 HydrophobicContact CZ-CD1 3.95Å
34	P	51.5	Low	57.9	Low	28 Å²	28	78.6 Å²	78.6	18%	0.182	53%	0.533	C	S	.	.			trans	-62.3	146.3	170.8	29	-35.1	0	0	0	109.1	S36 F37	P34-S36 PolarHBondContact O-N 3.03Å; P34-S36 PolarHBondContact O-OG 3.48Å; P34-F37 HydrophobicContact CG-CD2 3.76Å; P34-F37 HydrophobicContact CG-CE2 3.47Å; P34-F37 VanDerWaalsContact CG-CE2 3.47Å; P34-F37 PolarHBondContact O-N 3.23Å
35	S	56.8	Low	61.2	Low	131 Å²	131	74.6 Å²	74.6	92%	0.916	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	24.3	-171.7	72	0	0	0	0	115.4
36	S	70.6	Confident	64.5	Low	39 Å²	39	66.8 Å²	66.8	27%	0.273	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-31.3	171	44.6	0	0	0	0	112.8	P34	P34-S36 PolarHBondContact O-N 3.03Å; P34-S36 PolarHBondContact O-OG 3.48Å
37	F	88.3	Confident	67.6	Low	24 Å²	24	66.4 Å²	66.4	11%	0.105	44%	0.444	C	S	.	.	S	Bend	trans	-88.1	158.8	-179.1	-53.7	-71.2	0	0	0	111.5	F33 P34 L62 F64 V116 D118 S120 Y122	F33-F37 HydrophobicContact CB-CD2 4.4Å; P34-F37 HydrophobicContact CG-CD2 3.76Å; P34-F37 HydrophobicContact CG-CE2 3.47Å; P34-F37 VanDerWaalsContact CG-CE2 3.47Å; P34-F37 PolarHBondContact O-N 3.23Å; F37-L62 HydrophobicContact CB-CD2 4.37Å; F37-L62 HydrophobicContact CD1-CD2 4.04Å; F37-L62 HydrophobicContact CE1-CD2 4.47Å; F37-L62 HydrophobicContact CG-CD2 4.06Å; F37-F64 HydrophobicContact CE1-CB 4.21Å; F37-F64 HydrophobicContact CZ-CB 3.83Å; F37-F64 HydrophobicContact CZ-CD1 4.21Å; F37-F64 HydrophobicContact CZ-CG 4.32Å; F37-V116 HydrophobicContact CE2-CG1 4.38Å; F37-V116 HydrophobicContact CZ-CG1 4.03Å; F37-D118 HydrophobicContact CD1-CB 4.11Å; F37-D118 VanDerWaalsContact CD1-CG 3.46Å; F37-D118 WeakPolarHBondContact CD1-OD1 3.4Å; F37-D118 HydrophobicContact CE1-CB 4Å; F37-D118 WeakPolarHBondContact CE1-OD1 3.24Å; F37-S120 WeakPolarHBondContact CE1-OG 3.32Å; F37-Y122 WeakPolarHBondContact CA-OH 3.37Å
38	L	91.7	Very high	70.2	Confident	12 Å²	12	63 Å²	63	6%	0.063	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-96.9	145	167.2	-52.2	167.7	0	0	0	108.6	T42 V44 V57 Y122 L139 I141	L38-T42 HydrophobicContact CB-CG2 4.48Å; L38-T42 HydrophobicContact CD2-CG2 4.21Å; L38-V44 HydrophobicContact CD1-CG1 3.85Å; L38-V57 HydrophobicContact CB-CG2 4.44Å; L38-Y122 HydrophobicContact CB-CD1 4.23Å; L38-Y122 HydrophobicContact CB-CE1 3.61Å; L38-Y122 HydrophobicContact CD1-CD1 4.44Å; L38-Y122 HydrophobicContact CD1-CE1 4.25Å; L38-Y122 HydrophobicContact CG-CE1 4.15Å; L38-Y122 PolarHBondContact N-OH 3.42Å; L38-Y122 VanDerWaalsContact N-OH 3.15Å; L38-L139 HydrophobicContact CD1-CB 4.09Å; L38-L139 HydrophobicContact CD1-CD1 3.99Å; L38-I141 HydrophobicContact CD2-CD1 4.23Å; L38-I141 HydrophobicContact CD2-CG1 3.92Å
39	T	92	Very high	73.2	Confident	79 Å²	79	70 Å²	70	49%	0.485	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-87.5	159.4	173.7	57.4	0	0	0	0	111	F33 T42	F33-T39 HydrophobicContact CD2-CG2 4.46Å; T39-T42 PolarHBondContact N-OG1 3.09Å; T39-T42 VanDerWaalsContact O-CB 3.23Å; T39-T42 WeakPolarHBondContact O-CB 3.33Å; T39-T42 PolarHBondContact O-N 3.47Å; T39-T42 VanDerWaalsContact O-N 3.1Å; T39-T42 PolarHBondContact O-OG1 2.69Å; T39-T42 PolarHBondContact OG1-OG1 2.79Å
40	V	94.6	Very high	76.1	Confident	89 Å²	89	66.6 Å²	66.6	54%	0.539	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	145.6	161.1	177.3	0	0	0	0	109.5	T42 D58 V60	V40-T42 PolarHBondContact O-N 2.82Å; V40-D58 WeakPolarHBondContact CG1-O 3.3Å; V40-V60 HydrophobicContact CG2-CG2 4.12Å
41	G	94.1	Very high	79	Confident	56 Å²	56	64.8 Å²	64.8	58%	0.577	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.2	-8.3	-172	0	0	0	0	0	115.1	A43 V57	G41-A43 PolarHBondContact O-N 2.82Å; G41-V57 PolarHBondContact N-O 2.61Å
42	T	94.5	Very high	81.7	Confident	28 Å²	28	60.6 Å²	60.6	17%	0.172	36%	0.358	C	S	.	.			trans	-64.8	121.7	178	-56	0	0	0	0	110.5	L38 T39 V40 V44 V57	L38-T42 HydrophobicContact CB-CG2 4.48Å; L38-T42 HydrophobicContact CD2-CG2 4.21Å; T39-T42 PolarHBondContact N-OG1 3.09Å; T39-T42 VanDerWaalsContact O-CB 3.23Å; T39-T42 WeakPolarHBondContact O-CB 3.33Å; T39-T42 PolarHBondContact O-N 3.47Å; T39-T42 VanDerWaalsContact O-N 3.1Å; T39-T42 PolarHBondContact O-OG1 2.69Å; T39-T42 PolarHBondContact OG1-OG1 2.79Å; V40-T42 PolarHBondContact O-N 2.82Å; T42-V44 HydrophobicContact CG2-CG1 4.12Å; T42-V57 PolarHBondContact O-N 3.46Å
43	A	95.2	Very high	84.7	Confident	41 Å²	41	55.5 Å²	55.5	34%	0.339	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	126.8	171.2	0	0	0	0	0	110.7	G41 K142	G41-A43 PolarHBondContact O-N 2.82Å; A43-K142 HydrophobicContact CB-CB 3.98Å; A43-K142 HydrophobicContact CB-CD 3.93Å; A43-K142 WeakPolarHBondContact O-CB 3.45Å; A43-K142 PolarHBondContact O-N 3.14Å
44	V	94.3	Very high	87	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	161.9	-173.6	-69.6	0	0	0	0	111.1	L38 T42 A55 V57 V124 L139 V140	L38-V44 HydrophobicContact CD1-CG1 3.85Å; T42-V44 HydrophobicContact CG2-CG1 4.12Å; V44-A55 HydrophobicContact CG2-CB 4.05Å; V44-A55 WeakPolarHBondContact CG2-O 3.33Å; V44-A55 PolarHBondContact N-O 3.21Å; V44-A55 PolarHBondContact O-N 3.17Å; V44-V57 HydrophobicContact CG1-CG2 4.08Å; V44-V57 HydrophobicContact CG2-CG2 4.34Å; V44-V124 HydrophobicContact CG2-CG1 4.17Å; V44-L139 HydrophobicContact CG2-CD2 4.26Å; V44-V140 CarbonylContact C-O 3.47Å; V44-V140 WeakPolarHBondContact CA-O 3.35Å; V44-V140 VanDerWaalsContact CB-O 3.28Å; V44-V140 WeakPolarHBondContact CB-O 3.48Å
45	S	93.6	Very high	89.1	Confident	5 Å²	5	54.3 Å²	54.3	4%	0.035	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	130.1	152.1	-173.2	0	0	0	0	109.5	F52 C53 V140 H146	S45-F52 WeakPolarHBondContact OG-CB 3.24Å; S45-C53 CarbonylContact C-O 3.49Å; S45-C53 WeakPolarHBondContact CA-O 3.49Å; S45-C53 PolarHBondContact OG-O 3.03Å; S45-V140 PolarHBondContact N-O 2.86Å; S45-V140 PolarHBondContact O-N 3.5Å; S45-H146 WeakPolarHBondContact CB-CE1 3.31Å
46	A	93.3	Very high	91	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	127	-170.9	0	0	0	0	0	110.6	Y48 C53 A55 V124 F126 L134 L139	A46-Y48 PolarHBondContact O-N 3.15Å; A46-C53 PolarHBondContact N-O 2.95Å; A46-C53 PolarHBondContact O-N 2.98Å; A46-C53 VanDerWaalsContact O-N 3.13Å; A46-A55 HydrophobicContact CB-CB 4Å; A46-V124 HydrophobicContact CB-CG2 4.12Å; A46-F126 HydrophobicContact CB-CE1 3.5Å; A46-F126 HydrophobicContact CB-CZ 3.48Å; A46-F126 VanDerWaalsContact CB-CZ 3.48Å; A46-L134 HydrophobicContact CB-CD1 3.77Å; A46-L139 HydrophobicContact CB-CD2 3.47Å; A46-L139 VanDerWaalsContact CB-CD2 3.47Å
47	K	91.8	Very high	92.3	Very high	87 Å²	87	49.4 Å²	49.4	38%	0.378	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	94.5	-176.4	-167.3	172.5	-173.3	162.7	0	111.5	A51 F52 Q138	K47-A51 CarbonylContact C-O 3.29Å; K47-A51 VanDerWaalsContact CA-O 3.27Å; K47-A51 WeakPolarHBondContact CA-O 3.31Å; K47-A51 WeakPolarHBondContact CG-O 3.11Å; K47-F52 HydrophobicContact CB-CD1 3.93Å; K47-F52 HydrophobicContact CB-CE1 3.71Å; K47-F52 HydrophobicContact CB-CG 4.48Å; K47-F52 HydrophobicContact CB-CZ 4.09Å; K47-F52 HydrophobicContact CD-CE1 4.32Å; K47-F52 HydrophobicContact CD-CE2 3.93Å; K47-F52 HydrophobicContact CD-CZ 3.8Å; K47-F52 HydrophobicContact CG-CD1 4.44Å; K47-F52 HydrophobicContact CG-CD2 4.47Å; K47-F52 HydrophobicContact CG-CE1 4.25Å; K47-F52 HydrophobicContact CG-CE2 4.28Å; K47-F52 HydrophobicContact CG-CZ 4.17Å; K47-Q138 HydrophobicContact CB-CB 4.42Å; K47-Q138 WeakPolarHBondContact CB-O 3.18Å; K47-Q138 PolarHBondContact N-O 3.29Å
48	Y	88	Confident	92.6	Very high	67 Å²	67	51.1 Å²	51.1	26%	0.263	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	135.2	177.2	-168.4	-106.3	0	0	0	112	A46 G50 A51 F126 R132	A46-Y48 PolarHBondContact O-N 3.15Å; Y48-G50 PolarHBondContact O-N 3.11Å; Y48-A51 PolarHBondContact N-O 2.58Å; Y48-A51 VanDerWaalsContact N-O 3.09Å; Y48-A51 PolarHBondContact O-N 3.29Å; Y48-F126 HydrophobicContact CG-CZ 4.4Å; Y48-R132 HydrophobicContact CD2-CG 4.45Å; Y48-R132 HydrophobicContact CE2-CG 4.33Å
49	R	87.3	Confident	92.7	Very high	225 Å²	225	55.4 Å²	55.4	85%	0.849	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.4	25.2	-176.7	-70.6	-177.1	178.7	-140.3	-0.7	116.2
50	G	87.2	Confident	92.8	Very high	58 Å²	58	52.7 Å²	52.7	60%	0.598	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.9	-19.1	178.5	0	0	0	0	0	114.9	Y48	Y48-G50 PolarHBondContact O-N 3.11Å
51	A	86.6	Confident	92.8	Very high	33 Å²	33	51.2 Å²	51.2	27%	0.273	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	167.2	167.6	0	0	0	0	0	111.1	K47 Y48	K47-A51 CarbonylContact C-O 3.29Å; K47-A51 VanDerWaalsContact CA-O 3.27Å; K47-A51 WeakPolarHBondContact CA-O 3.31Å; K47-A51 WeakPolarHBondContact CG-O 3.11Å; Y48-A51 PolarHBondContact N-O 2.58Å; Y48-A51 VanDerWaalsContact N-O 3.09Å; Y48-A51 PolarHBondContact O-N 3.29Å
52	F	91	Very high	92.6	Very high	62 Å²	62	51.2 Å²	51.2	27%	0.272	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	117.3	166.3	-84.5	-82.5	0	0	0	106.8	S45 K47 V140 F147	S45-F52 WeakPolarHBondContact OG-CB 3.24Å; K47-F52 HydrophobicContact CB-CD1 3.93Å; K47-F52 HydrophobicContact CB-CE1 3.71Å; K47-F52 HydrophobicContact CB-CG 4.48Å; K47-F52 HydrophobicContact CB-CZ 4.09Å; K47-F52 HydrophobicContact CD-CE1 4.32Å; K47-F52 HydrophobicContact CD-CE2 3.93Å; K47-F52 HydrophobicContact CD-CZ 3.8Å; K47-F52 HydrophobicContact CG-CD1 4.44Å; K47-F52 HydrophobicContact CG-CD2 4.47Å; K47-F52 HydrophobicContact CG-CE1 4.25Å; K47-F52 HydrophobicContact CG-CE2 4.28Å; K47-F52 HydrophobicContact CG-CZ 4.17Å; F52-V140 HydrophobicContact CE1-CG2 4.33Å; F52-F147 HydrophobicContact CD2-CZ 4.46Å
53	C	92.7	Very high	92.4	Very high	19 Å²	19	55 Å²	55	13%	0.128	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	165.5	174.6	-42.4	0	0	0	0	108.7	S45 A46 F126	S45-C53 CarbonylContact C-O 3.49Å; S45-C53 WeakPolarHBondContact CA-O 3.49Å; S45-C53 PolarHBondContact OG-O 3.03Å; A46-C53 PolarHBondContact N-O 2.95Å; A46-C53 PolarHBondContact O-N 2.98Å; A46-C53 VanDerWaalsContact O-N 3.13Å; C53-F126 HydrophobicContact CB-CD1 3.66Å; C53-F126 HydrophobicContact CB-CE1 3.7Å
54	E	93.2	Very high	92.2	Very high	83 Å²	83	53.8 Å²	53.8	39%	0.388	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	149.5	172.6	-45.2	-162.6	119.7	0	0	110.2	F126 D127 K142	E54-F126 WeakPolarHBondContact O-CD1 3.34Å; E54-D127 WeakPolarHBondContact CB-OD2 3.34Å; E54-K142 HydrophobicContact CB-CD 4.45Å; E54-K142 VanDerWaalsContact CD-NZ 3.26Å; E54-K142 WeakPolarHBondContact OE1-CE 3.47Å; E54-K142 IonicContact OE1-NZ 2.93Å; E54-K142 WeakPolarHBondContact OE2-CE 3.49Å; E54-K142 IonicContact OE2-NZ 2.67Å; E54-K142 PolarHBondContact OE2-NZ 3.27Å
55	A	95.2	Very high	92.1	Very high	2 Å²	2	58.8 Å²	58.8	2%	0.017	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	165.1	-175.4	0	0	0	0	0	111.1	V44 A46 V124 V125 F126	V44-A55 HydrophobicContact CG2-CB 4.05Å; V44-A55 WeakPolarHBondContact CG2-O 3.33Å; V44-A55 PolarHBondContact N-O 3.21Å; V44-A55 PolarHBondContact O-N 3.17Å; A46-A55 HydrophobicContact CB-CB 4Å; A55-V124 HydrophobicContact CB-CB 4.04Å; A55-V124 HydrophobicContact CB-CG2 4Å; A55-V125 CarbonylContact C-O 2.96Å; A55-V125 WeakPolarHBondContact CA-O 3.28Å; A55-V125 WeakPolarHBondContact CB-O 3.17Å; A55-F126 HydrophobicContact CB-CD1 3.88Å; A55-F126 HydrophobicContact CB-CE1 4.16Å; A55-F126 HydrophobicContact CB-CG 4.27Å
56	T	96.5	Very high	92.1	Very high	64 Å²	64	58.5 Å²	58.5	39%	0.393	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	143.5	172.1	53.4	0	0	0	0	110.8	D58 V124 V125	T56-D58 PolarHBondContact O-N 3.09Å; T56-V124 CarbonylContact O-C 3.55Å; T56-V124 WeakPolarHBondContact O-CA 3.19Å; T56-V124 WeakPolarHBondContact O-CB 3.38Å; T56-V125 PolarHBondContact N-O 3.33Å; T56-V125 PolarHBondContact O-N 3.36Å
57	V	96.8	Very high	92.2	Very high	3 Å²	3	63.9 Å²	63.9	2%	0.018	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	119.3	175.1	179.3	0	0	0	0	109.9	L38 G41 T42 V44 V60 Y122 V124 L139	L38-V57 HydrophobicContact CB-CG2 4.44Å; G41-V57 PolarHBondContact N-O 2.61Å; T42-V57 PolarHBondContact O-N 3.46Å; V44-V57 HydrophobicContact CG1-CG2 4.08Å; V44-V57 HydrophobicContact CG2-CG2 4.34Å; V57-V60 HydrophobicContact CG1-CG2 3.48Å; V57-V60 VanDerWaalsContact CG1-CG2 3.48Å; V57-Y122 HydrophobicContact CG1-CD1 4.05Å; V57-Y122 HydrophobicContact CG2-CD1 4.41Å; V57-V124 HydrophobicContact CG2-CG1 4.2Å; V57-L139 HydrophobicContact CG2-CD1 4.49Å
58	D	96.2	Very high	92.3	Very high	61 Å²	61	59.8 Å²	59.8	33%	0.326	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-45.9	-176.6	-170.6	64.8	0	0	0	111.4	V40 T56 T123 V125 K131	V40-D58 WeakPolarHBondContact CG1-O 3.3Å; T56-D58 PolarHBondContact O-N 3.09Å; D58-T123 HydrophobicContact CB-CG2 4.23Å; D58-T123 WeakPolarHBondContact CB-O 3.17Å; D58-T123 PolarHBondContact N-O 2.77Å; D58-V125 HydrophobicContact CB-CG2 3.69Å; D58-K131 IonicContact OD1-NZ 3.33Å; D58-K131 PolarHBondContact OD1-NZ 3.13Å; D58-K131 WeakPolarHBondContact OD2-CE 3.33Å; D58-K131 IonicContact OD2-NZ 3.7Å; D58-K131 PolarHBondContact OD2-NZ 2.92Å
59	H	93.6	Very high	92.7	Very high	101 Å²	101	59.3 Å²	59.3	47%	0.468	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	153.9	178.6	-167.2	-100.9	0	0	0	110.5	D61 T123	H59-D61 IonicContact CE1-OD1 2.76Å; H59-D61 PolarHBondContact CE1-OD1 3.12Å; H59-D61 VanDerWaalsContact CE1-OD1 3.25Å; H59-D61 IonicContact ND1-OD1 3.82Å; H59-D61 PolarHBondContact ND1-OD1 3.15Å; H59-T123 PolarHBondContact N-O 2.83Å; H59-T123 PolarHBondContact O-N 2.99Å
60	V	94.1	Very high	93	Very high	22 Å²	22	48.7 Å²	48.7	13%	0.133	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	106.2	176	-170.4	0	0	0	0	109.8	V40 V57 L62 Y122	V40-V60 HydrophobicContact CG2-CG2 4.12Å; V57-V60 HydrophobicContact CG1-CG2 3.48Å; V57-V60 VanDerWaalsContact CG1-CG2 3.48Å; V60-L62 HydrophobicContact CG1-CD2 3.76Å; V60-L62 HydrophobicContact CG1-CG 4.02Å; V60-L62 PolarHBondContact O-N 3Å; V60-Y122 HydrophobicContact CB-CD1 4.28Å; V60-Y122 HydrophobicContact CB-CE1 4.33Å; V60-Y122 HydrophobicContact CG1-CD1 3.77Å; V60-Y122 HydrophobicContact CG1-CE1 3.49Å; V60-Y122 VanDerWaalsContact CG1-CE1 3.49Å; V60-Y122 HydrophobicContact CG1-CG 4.45Å; V60-Y122 HydrophobicContact CG2-CD1 3.66Å; V60-Y122 HydrophobicContact CG2-CE1 3.85Å
61	D	93.3	Very high	93.3	Very high	58 Å²	58	51 Å²	51	31%	0.31	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	83.9	164.8	-54	-0.3	0	0	0	106.8	H59 K63 S120 I121	H59-D61 IonicContact CE1-OD1 2.76Å; H59-D61 PolarHBondContact CE1-OD1 3.12Å; H59-D61 VanDerWaalsContact CE1-OD1 3.25Å; H59-D61 IonicContact ND1-OD1 3.82Å; H59-D61 PolarHBondContact ND1-OD1 3.15Å; D61-K63 PolarHBondContact O-N 2.68Å; D61-K63 VanDerWaalsContact O-N 3.16Å; D61-S120 VanDerWaalsContact O-CA 3.29Å; D61-S120 WeakPolarHBondContact O-CA 3.47Å; D61-S120 VanDerWaalsContact O-CB 3.25Å; D61-S120 WeakPolarHBondContact O-CB 3.28Å; D61-I121 HydrophobicContact CB-CB 4.1Å; D61-I121 PolarHBondContact N-O 3.26Å; D61-I121 PolarHBondContact O-N 2.9Å
62	L	89.4	Confident	93.2	Very high	56 Å²	56	53.9 Å²	53.9	29%	0.293	26%	0.258	S	S	.	.			trans	-54.7	121	176.9	-70.5	167.8	0	0	0	109.1	F33 F37 V60	F33-L62 HydrophobicContact CD1-CD1 4.12Å; F33-L62 HydrophobicContact CE1-CD1 3.39Å; F33-L62 HydrophobicContact CZ-CD1 3.95Å; F37-L62 HydrophobicContact CB-CD2 4.37Å; F37-L62 HydrophobicContact CD1-CD2 4.04Å; F37-L62 HydrophobicContact CE1-CD2 4.47Å; F37-L62 HydrophobicContact CG-CD2 4.06Å; V60-L62 HydrophobicContact CG1-CD2 3.76Å; V60-L62 HydrophobicContact CG1-CG 4.02Å; V60-L62 PolarHBondContact O-N 3Å
63	K	90.4	Very high	92.9	Very high	107 Å²	107	55.7 Å²	55.7	47%	0.465	27%	0.271	S	S	.	.			trans	-143.1	131.6	172.1	-65	-168.2	178.5	-175.5	0	109.4	D61 E81 S119 S120	D61-K63 PolarHBondContact O-N 2.68Å; D61-K63 VanDerWaalsContact O-N 3.16Å; K63-E81 VanDerWaalsContact CA-OE2 3.31Å; K63-E81 WeakPolarHBondContact CA-OE2 3.46Å; K63-S119 CarbonylContact O-C 3.22Å; K63-S119 VanDerWaalsContact O-CA 3.25Å; K63-S119 WeakPolarHBondContact O-CA 3.3Å; K63-S119 WeakPolarHBondContact O-CB 3.35Å; K63-S119 PolarHBondContact O-N 3.22Å; K63-S120 PolarHBondContact N-OG 3.27Å; K63-S120 PolarHBondContact O-N 2.87Å; K63-S120 PolarHBondContact O-OG 2.87Å; K63-S120 VanDerWaalsContact O-OG 3.1Å
64	F	91.5	Very high	92.5	Very high	17 Å²	17	62.1 Å²	62.1	8%	0.075	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	153.7	-178	60.4	-96.7	0	0	0	114.4	F37 L66 E81 L84 P89 V116 T117	F37-F64 HydrophobicContact CE1-CB 4.21Å; F37-F64 HydrophobicContact CZ-CB 3.83Å; F37-F64 HydrophobicContact CZ-CD1 4.21Å; F37-F64 HydrophobicContact CZ-CG 4.32Å; F64-L66 HydrophobicContact CD2-CD1 4.49Å; F64-L66 HydrophobicContact CD2-CD2 3.64Å; F64-L66 HydrophobicContact CD2-CG 3.75Å; F64-L66 HydrophobicContact CE2-CD1 4.03Å; F64-L66 HydrophobicContact CE2-CD2 3.93Å; F64-L66 HydrophobicContact CE2-CG 3.78Å; F64-E81 HydrophobicContact CD1-CB 4.39Å; F64-E81 HydrophobicContact CD1-CG 4.31Å; F64-E81 HydrophobicContact CD2-CB 4.35Å; F64-E81 HydrophobicContact CE1-CB 4.11Å; F64-E81 HydrophobicContact CE1-CG 3.66Å; F64-E81 WeakPolarHBondContact CE1-OE1 3.34Å; F64-E81 HydrophobicContact CE2-CB 4.04Å; F64-E81 HydrophobicContact CE2-CG 4.27Å; F64-E81 HydrophobicContact CZ-CB 3.92Å; F64-E81 HydrophobicContact CZ-CG 3.63Å; F64-E81 PolarHBondContact O-N 3.37Å; F64-E81 VanDerWaalsContact O-N 3.14Å; F64-L84 HydrophobicContact CE2-CD2 4.01Å; F64-L84 HydrophobicContact CZ-CD2 3.8Å; F64-P89 HydrophobicContact CD2-CB 4.27Å; F64-P89 HydrophobicContact CE1-CB 4.35Å; F64-P89 HydrophobicContact CE1-CG 4.18Å; F64-P89 HydrophobicContact CE2-CB 3.78Å; F64-P89 HydrophobicContact CE2-CG 4.43Å; F64-P89 HydrophobicContact CZ-CB 3.83Å; F64-P89 HydrophobicContact CZ-CG 3.96Å; F64-V116 HydrophobicContact CB-CG1 4.47Å; F64-T117 WeakPolarHBondContact CA-O 3.22Å
65	R	92.7	Very high	92.3	Very high	104 Å²	104	60.1 Å²	60.1	39%	0.392	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	112.4	168.6	-173.6	164.3	48.6	-116.9	-1.2	110.8	V79 D80 T117	R65-V79 CarbonylContact C-O 3.49Å; R65-D80 WeakPolarHBondContact CB-OD1 3.35Å; R65-D80 WeakPolarHBondContact CD-OD1 3.44Å; R65-D80 WeakPolarHBondContact CG-OD1 3.47Å; R65-D80 IonicContact NH1-OD1 3.99Å; R65-T117 PolarHBondContact N-O 2.86Å; R65-T117 WeakPolarHBondContact O-CB 3.35Å; R65-T117 PolarHBondContact O-N 3.29Å; R65-T117 PolarHBondContact O-OG1 3.12Å; R65-T117 VanDerWaalsContact O-OG1 3.06Å
66	L	92.9	Very high	92.3	Very high	0 Å²	0	66 Å²	66	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	143.6	171.6	-54.4	-176.1	0	0	0	109.8	F64 V68 S78 V79 L84 P89 V113 R115 V116	F64-L66 HydrophobicContact CD2-CD1 4.49Å; F64-L66 HydrophobicContact CD2-CD2 3.64Å; F64-L66 HydrophobicContact CD2-CG 3.75Å; F64-L66 HydrophobicContact CE2-CD1 4.03Å; F64-L66 HydrophobicContact CE2-CD2 3.93Å; F64-L66 HydrophobicContact CE2-CG 3.78Å; L66-V68 HydrophobicContact CB-CG1 3.74Å; L66-V68 HydrophobicContact CD1-CG1 4.38Å; L66-S78 CarbonylContact O-C 3.6Å; L66-S78 VanDerWaalsContact O-CA 3.31Å; L66-S78 WeakPolarHBondContact O-CA 3.48Å; L66-V79 PolarHBondContact N-O 3.04Å; L66-V79 PolarHBondContact O-N 3.43Å; L66-L84 HydrophobicContact CD1-CD1 4.11Å; L66-L84 HydrophobicContact CD1-CD2 4.35Å; L66-P89 HydrophobicContact CD1-CB 4.31Å; L66-P89 HydrophobicContact CD2-CB 3.83Å; L66-V113 HydrophobicContact CD1-CG2 4.19Å; L66-V113 HydrophobicContact CD2-CG1 4.13Å; L66-R115 CarbonylContact C-O 3.52Å; L66-R115 WeakPolarHBondContact CA-O 3.43Å; L66-V116 HydrophobicContact CD2-CB 4.44Å; L66-V116 HydrophobicContact CD2-CG1 4.37Å; L66-V116 HydrophobicContact CD2-CG2 3.98Å
67	R	95.4	Very high	92.1	Very high	113 Å²	113	64.7 Å²	64.7	43%	0.426	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	119	157.2	-166.9	-178.8	-177.3	-153.9	-1.6	107.2	V77 I114 R115	R67-V77 WeakPolarHBondContact CA-O 3.28Å; R67-I114 HydrophobicContact CG-CD1 4.28Å; R67-I114 WeakPolarHBondContact O-CA 3.24Å; R67-I114 WeakPolarHBondContact O-CB 3.48Å; R67-I114 PolarHBondContact O-N 3.42Å; R67-R115 HydrophobicContact CB-CB 4.18Å; R67-R115 PolarHBondContact N-O 3.33Å; R67-R115 PolarHBondContact O-N 2.86Å; R67-R115 VanDerWaalsContact O-N 3.15Å
68	V	95	Very high	91.9	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	150.1	-170.1	-57.6	0	0	0	0	110.8	L66 L70 Y76 V77 V79 V95 V97 A111 I112 V113 I114	L66-V68 HydrophobicContact CB-CG1 3.74Å; L66-V68 HydrophobicContact CD1-CG1 4.38Å; V68-L70 HydrophobicContact CG2-CD2 4.2Å; V68-Y76 WeakPolarHBondContact O-CA 3.29Å; V68-V77 HydrophobicContact CG2-CB 4.17Å; V68-V77 PolarHBondContact N-O 3.43Å; V68-V77 PolarHBondContact O-N 3.02Å; V68-V77 VanDerWaalsContact O-N 3.08Å; V68-V79 HydrophobicContact CG2-CG2 3.77Å; V68-V95 HydrophobicContact CG1-CG2 4.11Å; V68-V97 HydrophobicContact CG2-CG2 4.18Å; V68-A111 HydrophobicContact CB-CB 3.86Å; V68-A111 HydrophobicContact CG2-CB 3.97Å; V68-I112 CarbonylContact C-O 3.04Å; V68-I112 VanDerWaalsContact CA-O 3.28Å; V68-I112 WeakPolarHBondContact CA-O 3.36Å; V68-V113 HydrophobicContact CG1-CG2 4.4Å; V68-I114 VanDerWaalsContact C-CD1 3.45Å
69	Q	95.6	Very high	91.7	Very high	57 Å²	57	65.4 Å²	65.4	27%	0.266	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	114.5	169.8	-164.6	172.2	19.6	0	0	109.3	K71 K74 S75 A111 I112 I114	Q69-K71 PolarHBondContact O-N 2.87Å; Q69-K74 WeakPolarHBondContact CG-O 3.34Å; Q69-K74 PolarHBondContact NE2-O 3.08Å; Q69-S75 VanDerWaalsContact CA-O 3.31Å; Q69-S75 WeakPolarHBondContact CA-O 3.5Å; Q69-A111 CarbonylContact O-C 3.54Å; Q69-A111 WeakPolarHBondContact O-CA 3.5Å; Q69-A111 WeakPolarHBondContact O-CB 3.32Å; Q69-I112 PolarHBondContact N-O 2.87Å; Q69-I112 PolarHBondContact O-N 2.91Å; Q69-I114 HydrophobicContact CB-CD1 3.94Å; Q69-I114 HydrophobicContact CB-CG1 4.08Å
70	L	94.2	Very high	91.6	Very high	3 Å²	3	63.2 Å²	63.2	2%	0.016	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	133.2	177.8	-53.1	-172.8	0	0	0	109.8	V68 T72 K74 S75 V77 V97 V99 Q109 A111	V68-L70 HydrophobicContact CG2-CD2 4.2Å; L70-T72 VanDerWaalsContact C-N 3.27Å; L70-T72 PolarHBondContact O-N 3.38Å; L70-K74 WeakPolarHBondContact O-CA 3.17Å; L70-K74 PolarHBondContact O-N 2.97Å; L70-S75 PolarHBondContact N-O 2.86Å; L70-V77 HydrophobicContact CD1-CG2 3.8Å; L70-V77 HydrophobicContact CD2-CB 4.5Å; L70-V77 HydrophobicContact CD2-CG2 4.09Å; L70-V77 HydrophobicContact CG-CG2 3.89Å; L70-V97 HydrophobicContact CD2-CG2 3.98Å; L70-V99 HydrophobicContact CD1-CG2 4.07Å; L70-V99 HydrophobicContact CD2-CG2 3.83Å; L70-Q109 HydrophobicContact CD2-CB 4.5Å; L70-A111 HydrophobicContact CD2-CB 3.8Å
71	K	92.2	Very high	91.3	Very high	105 Å²	105	65.8 Å²	65.8	46%	0.457	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-28.7	179.1	-76.1	-170.8	169.3	-176.8	0	113.2	Q69 E94 A110	Q69-K71 PolarHBondContact O-N 2.87Å; K71-E94 VanDerWaalsContact CE-CD 3.46Å; K71-E94 WeakPolarHBondContact CE-OE1 3.42Å; K71-E94 WeakPolarHBondContact CE-OE2 3.43Å; K71-E94 IonicContact NZ-OE1 3.66Å; K71-E94 PolarHBondContact NZ-OE1 3.47Å; K71-E94 IonicContact NZ-OE2 2.63Å; K71-E94 PolarHBondContact NZ-OE2 2.89Å; K71-A110 WeakPolarHBondContact CB-O 3.46Å; K71-A110 HydrophobicContact CD-CB 4.13Å; K71-A110 PolarHBondContact N-O 2.6Å
72	T	85.5	Confident	91.1	Very high	95 Å²	95	66.3 Å²	66.3	58%	0.583	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-59.5	-176.8	47.2	0	0	0	0	112.4	L70 Q109	L70-T72 VanDerWaalsContact C-N 3.27Å; L70-T72 PolarHBondContact O-N 3.38Å; T72-Q109 HydrophobicContact CG2-CG 4.38Å; T72-Q109 PolarHBondContact OG1-OE1 2.87Å
73	N	84.7	Confident	91	Very high	99 Å²	99	65.2 Å²	65.2	53%	0.529	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	6	-173.6	67.5	2.8	0	0	0	113.7	S75	N73-S75 PolarHBondContact ND2-OG 3.28Å; N73-S75 PolarHBondContact O-N 2.92Å; N73-S75 WeakPolarHBondContact OD1-CB 3.36Å; N73-S75 PolarHBondContact OD1-N 3.28Å; N73-S75 PolarHBondContact OD1-OG 3.32Å
74	K	84.7	Confident	91	Very high	155 Å²	155	61.8 Å²	61.8	67%	0.674	31%	0.307	S	S	*	.			trans	59.2	11.3	-177.5	-58.7	171.5	-175.1	165.9	0	114.7	Q69 L70	Q69-K74 WeakPolarHBondContact CG-O 3.34Å; Q69-K74 PolarHBondContact NE2-O 3.08Å; L70-K74 WeakPolarHBondContact O-CA 3.17Å; L70-K74 PolarHBondContact O-N 2.97Å
75	S	89.6	Confident	90.8	Very high	40 Å²	40	63.4 Å²	63.4	28%	0.28	32%	0.316	S	S	.	.			trans	-73.3	163.7	-179	73.3	0	0	0	0	112.6	Q69 L70 N73	Q69-S75 VanDerWaalsContact CA-O 3.31Å; Q69-S75 WeakPolarHBondContact CA-O 3.5Å; L70-S75 PolarHBondContact N-O 2.86Å; N73-S75 PolarHBondContact ND2-OG 3.28Å; N73-S75 PolarHBondContact O-N 2.92Å; N73-S75 WeakPolarHBondContact OD1-CB 3.36Å; N73-S75 PolarHBondContact OD1-N 3.28Å; N73-S75 PolarHBondContact OD1-OG 3.32Å
76	Y	93.4	Very high	90.6	Very high	127 Å²	127	61.4 Å²	61.4	50%	0.498	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	91.3	-171.7	-72.6	-101	0	0	0	111.4	V68 I114	V68-Y76 WeakPolarHBondContact O-CA 3.29Å; Y76-I114 HydrophobicContact CD1-CD1 3.29Å; Y76-I114 HydrophobicContact CE1-CD1 3.44Å; Y76-I114 VanDerWaalsContact CE1-CD1 3.44Å; Y76-I114 HydrophobicContact CE1-CG1 4.42Å; Y76-I114 HydrophobicContact CG-CD1 4.4Å
77	V	92.8	Very high	90.3	Very high	36 Å²	36	63.5 Å²	63.5	22%	0.218	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	149.6	177.9	-172.9	0	0	0	0	110.2	R67 V68 L70 V79 V99	R67-V77 WeakPolarHBondContact CA-O 3.28Å; V68-V77 HydrophobicContact CG2-CB 4.17Å; V68-V77 PolarHBondContact N-O 3.43Å; V68-V77 PolarHBondContact O-N 3.02Å; V68-V77 VanDerWaalsContact O-N 3.08Å; L70-V77 HydrophobicContact CD1-CG2 3.8Å; L70-V77 HydrophobicContact CD2-CB 4.5Å; L70-V77 HydrophobicContact CD2-CG2 4.09Å; L70-V77 HydrophobicContact CG-CG2 3.89Å; V77-V79 HydrophobicContact CB-CG2 4.2Å; V77-V79 HydrophobicContact CG1-CG2 3.65Å; V77-V99 HydrophobicContact CG2-CG1 4.39Å
78	S	93.2	Very high	89.8	Confident	74 Å²	74	60.4 Å²	60.4	52%	0.517	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	125	164.8	-55	0	0	0	0	108.3	L66	L66-S78 CarbonylContact O-C 3.6Å; L66-S78 VanDerWaalsContact O-CA 3.31Å; L66-S78 WeakPolarHBondContact O-CA 3.48Å
79	V	91.7	Very high	89.5	Confident	5 Å²	5	61.9 Å²	61.9	3%	0.03	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	124.6	-168.9	-172.6	0	0	0	0	107.2	R65 L66 V68 V77 C83 V97	R65-V79 CarbonylContact C-O 3.49Å; L66-V79 PolarHBondContact N-O 3.04Å; L66-V79 PolarHBondContact O-N 3.43Å; V68-V79 HydrophobicContact CG2-CG2 3.77Å; V77-V79 HydrophobicContact CB-CG2 4.2Å; V77-V79 HydrophobicContact CG1-CG2 3.65Å; V79-C83 HydrophobicContact CG1-CB 3.66Å; V79-C83 WeakPolarHBondContact CG1-SG 3.45Å; V79-V97 HydrophobicContact CB-CG1 4.34Å; V79-V97 HydrophobicContact CG1-CB 4.17Å; V79-V97 HydrophobicContact CG1-CG1 3.93Å; V79-V97 HydrophobicContact CG2-CB 4.27Å; V79-V97 HydrophobicContact CG2-CG1 4.25Å
80	D	91.5	Very high	89.2	Confident	55 Å²	55	61.5 Å²	61.5	29%	0.294	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	163	172.4	-70	-36.8	0	0	0	109.7	R65 T82 C83	R65-D80 WeakPolarHBondContact CB-OD1 3.35Å; R65-D80 WeakPolarHBondContact CD-OD1 3.44Å; R65-D80 WeakPolarHBondContact CG-OD1 3.47Å; R65-D80 IonicContact NH1-OD1 3.99Å; D80-T82 VanDerWaalsContact C-N 3.26Å; D80-T82 PolarHBondContact O-N 3.47Å; D80-T82 VanDerWaalsContact O-N 3.11Å; D80-C83 PolarHBondContact O-N 2.94Å; D80-C83 PolarHBondContact O-SG 2.79Å
81	E	88.4	Confident	89	Confident	76 Å²	76	66.3 Å²	66.3	36%	0.355	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-48.5	-38.6	-173.8	-179.2	164.3	-157.9	0	0	115.5	K63 F64 C83 L84	K63-E81 VanDerWaalsContact CA-OE2 3.31Å; K63-E81 WeakPolarHBondContact CA-OE2 3.46Å; F64-E81 HydrophobicContact CD1-CB 4.39Å; F64-E81 HydrophobicContact CD1-CG 4.31Å; F64-E81 HydrophobicContact CD2-CB 4.35Å; F64-E81 HydrophobicContact CE1-CB 4.11Å; F64-E81 HydrophobicContact CE1-CG 3.66Å; F64-E81 WeakPolarHBondContact CE1-OE1 3.34Å; F64-E81 HydrophobicContact CE2-CB 4.04Å; F64-E81 HydrophobicContact CE2-CG 4.27Å; F64-E81 HydrophobicContact CZ-CB 3.92Å; F64-E81 HydrophobicContact CZ-CG 3.63Å; F64-E81 PolarHBondContact O-N 3.37Å; F64-E81 VanDerWaalsContact O-N 3.14Å; E81-C83 PolarHBondContact O-N 2.83Å; E81-C83 VanDerWaalsContact O-N 3.11Å; E81-L84 WeakPolarHBondContact O-CB 3.25Å; E81-L84 PolarHBondContact O-N 3.45Å
82	T	88.6	Confident	88.9	Confident	68 Å²	68	63.3 Å²	63.3	42%	0.417	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-65.4	-12.5	179.6	54.6	0	0	0	0	115	D80	D80-T82 VanDerWaalsContact C-N 3.26Å; D80-T82 PolarHBondContact O-N 3.47Å; D80-T82 VanDerWaalsContact O-N 3.11Å
83	C	87.8	Confident	89.1	Confident	34 Å²	34	62.1 Å²	62.1	23%	0.23	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-115.7	11.9	174.6	27.5	0	0	0	0	113.3	V79 D80 E81 V97 R98	V79-C83 HydrophobicContact CG1-CB 3.66Å; V79-C83 WeakPolarHBondContact CG1-SG 3.45Å; D80-C83 PolarHBondContact O-N 2.94Å; D80-C83 PolarHBondContact O-SG 2.79Å; E81-C83 PolarHBondContact O-N 2.83Å; E81-C83 VanDerWaalsContact O-N 3.11Å; C83-V97 CarbonylContact O-C 3.44Å; C83-V97 VanDerWaalsContact O-CA 3.27Å; C83-V97 WeakPolarHBondContact O-CA 3.49Å; C83-R98 HydrophobicContact CB-CB 4.2Å; C83-R98 WeakPolarHBondContact CB-O 3.09Å; C83-R98 PolarHBondContact O-N 2.91Å
84	L	89.1	Confident	89.6	Confident	35 Å²	35	62.2 Å²	62.2	18%	0.183	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	129.5	155.2	179.5	66.3	0	0	0	108.6	F64 L66 E81 P89 V95 V97	F64-L84 HydrophobicContact CE2-CD2 4.01Å; F64-L84 HydrophobicContact CZ-CD2 3.8Å; L66-L84 HydrophobicContact CD1-CD1 4.11Å; L66-L84 HydrophobicContact CD1-CD2 4.35Å; E81-L84 WeakPolarHBondContact O-CB 3.25Å; E81-L84 PolarHBondContact O-N 3.45Å; L84-P89 HydrophobicContact CD2-CB 4.42Å; L84-V95 HydrophobicContact CD1-CB 3.61Å; L84-V95 HydrophobicContact CD1-CG1 3.72Å; L84-V95 HydrophobicContact CD1-CG2 4.33Å; L84-V97 HydrophobicContact CD1-CG1 4.22Å
85	I	88.9	Confident	90	Very high	51 Å²	51	54.9 Å²	54.9	26%	0.262	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	-44.6	-176.3	-38.8	178.7	0	0	0	110.6	V96 R98 E108	I85-V96 HydrophobicContact CB-CB 4.42Å; I85-V96 WeakPolarHBondContact CB-O 3.23Å; I85-V96 HydrophobicContact CD1-CG1 3.94Å; I85-V96 WeakPolarHBondContact CG1-O 3.28Å; I85-V96 PolarHBondContact N-O 3.5Å; I85-R98 HydrophobicContact CD1-CB 3.74Å; I85-R98 HydrophobicContact CD1-CG 3.59Å; I85-R98 HydrophobicContact CG1-CB 4.02Å; I85-R98 HydrophobicContact CG1-CG 4.3Å; I85-E108 HydrophobicContact CD1-CB 3.72Å; I85-E108 HydrophobicContact CD1-CG 3.53Å; I85-E108 VanDerWaalsContact CD1-OE1 3.25Å; I85-E108 WeakPolarHBondContact CD1-OE1 3.37Å
86	S	87.1	Confident	90.2	Very high	62 Å²	62	54.9 Å²	54.9	43%	0.434	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	162.4	177.3	62.9	0	0	0	0	111.7	V95 V96	S86-V95 CarbonylContact O-C 3.46Å; S86-V95 VanDerWaalsContact O-CA 3.29Å; S86-V95 WeakPolarHBondContact O-CA 3.4Å; S86-V96 PolarHBondContact N-O 2.55Å; S86-V96 PolarHBondContact O-N 2.9Å; S86-V96 WeakPolarHBondContact OG-CB 3.36Å; S86-V96 WeakPolarHBondContact OG-CG2 3.14Å
87	G	86.2	Confident	90.2	Very high	43 Å²	43	48.8 Å²	48.8	44%	0.443	30%	0.299	S	S	.	.	S	Bend	trans	89.7	151	-173.6	0	0	0	0	0	112.7
88	S	86.7	Confident	90.1	Very high	49 Å²	49	51.8 Å²	51.8	34%	0.343	31%	0.307	S	S	.	.			trans	-74.8	140.7	-176.4	60.8	0	0	0	0	112.2	V90 N93 V95	S88-V90 PolarHBondContact O-N 2.88Å; S88-N93 PolarHBondContact OG-ND2 3.24Å; S88-V95 WeakPolarHBondContact O-CG1 3.33Å
89	P	87.3	Confident	89.8	Confident	31 Å²	31	48.8 Å²	48.8	20%	0.201	29%	0.285	C	S	.	.	S	Bend	trans	-74.3	57.1	174.8	32.4	-36.8	0	0	0	112.7	F64 L66 L84 V116	F64-P89 HydrophobicContact CD2-CB 4.27Å; F64-P89 HydrophobicContact CE1-CB 4.35Å; F64-P89 HydrophobicContact CE1-CG 4.18Å; F64-P89 HydrophobicContact CE2-CB 3.78Å; F64-P89 HydrophobicContact CE2-CG 4.43Å; F64-P89 HydrophobicContact CZ-CB 3.83Å; F64-P89 HydrophobicContact CZ-CG 3.96Å; L66-P89 HydrophobicContact CD1-CB 4.31Å; L66-P89 HydrophobicContact CD2-CB 3.83Å; L84-P89 HydrophobicContact CD2-CB 4.42Å; P89-V116 WeakPolarHBondContact O-CG2 3.43Å
90	V	89.2	Confident	88.9	Confident	49 Å²	49	53 Å²	53	30%	0.297	32%	0.321	S	S	.	.			trans	-118.3	133.8	-176.8	177	0	0	0	0	109.4	S88 G92 N93 V113	S88-V90 PolarHBondContact O-N 2.88Å; V90-G92 PolarHBondContact O-N 2.76Å; V90-N93 HydrophobicContact CB-CB 4.41Å; V90-N93 WeakPolarHBondContact O-CB 3.42Å; V90-N93 PolarHBondContact O-N 2.93Å; V90-V113 WeakPolarHBondContact O-CB 3.35Å
91	I	90.4	Very high	87.6	Confident	103 Å²	103	54.5 Å²	54.5	53%	0.528	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	128.3	-177.6	-58.7	178	0	0	0	110.5	V113 I114 V116	I91-V113 WeakPolarHBondContact CA-O 3.48Å; I91-V113 HydrophobicContact CG1-CG1 4.47Å; I91-I114 WeakPolarHBondContact CG2-O 3.45Å; I91-V116 HydrophobicContact CG1-CG2 3.96Å
92	G	89.9	Confident	85.9	Confident	43 Å²	43	56.1 Å²	56.1	44%	0.443	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.8	-18.5	-176	0	0	0	0	0	114.2	V90 V113	V90-G92 PolarHBondContact O-N 2.76Å; G92-V113 PolarHBondContact N-O 2.88Å
93	N	91	Very high	83.9	Confident	70 Å²	70	56.8 Å²	56.8	37%	0.374	34%	0.34	S	S	.	.			trans	-79	153.2	179.8	-71.2	8.9	0	0	0	111.7	S88 V90 V113	S88-N93 PolarHBondContact OG-ND2 3.24Å; V90-N93 HydrophobicContact CB-CB 4.41Å; V90-N93 WeakPolarHBondContact O-CB 3.42Å; V90-N93 PolarHBondContact O-N 2.93Å; N93-V113 PolarHBondContact O-N 3.25Å
94	E	93.3	Very high	81.8	Confident	100 Å²	100	57.3 Å²	57.3	47%	0.467	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	136.9	171.3	-179.7	162.8	-166.8	0	0	110.4	K71 A111	K71-E94 VanDerWaalsContact CE-CD 3.46Å; K71-E94 WeakPolarHBondContact CE-OE1 3.42Å; K71-E94 WeakPolarHBondContact CE-OE2 3.43Å; K71-E94 IonicContact NZ-OE1 3.66Å; K71-E94 PolarHBondContact NZ-OE1 3.47Å; K71-E94 IonicContact NZ-OE2 2.63Å; K71-E94 PolarHBondContact NZ-OE2 2.89Å; E94-A111 CarbonylContact C-O 3.53Å; E94-A111 WeakPolarHBondContact CA-O 3.29Å
95	V	93.9	Very high	80.1	Confident	1 Å²	1	62.7 Å²	62.7	1%	0.006	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	146.8	179.4	-70.3	0	0	0	0	109.2	V68 L84 S86 S88 V97 A111 V113	V68-V95 HydrophobicContact CG1-CG2 4.11Å; L84-V95 HydrophobicContact CD1-CB 3.61Å; L84-V95 HydrophobicContact CD1-CG1 3.72Å; L84-V95 HydrophobicContact CD1-CG2 4.33Å; S86-V95 CarbonylContact O-C 3.46Å; S86-V95 VanDerWaalsContact O-CA 3.29Å; S86-V95 WeakPolarHBondContact O-CA 3.4Å; S88-V95 WeakPolarHBondContact O-CG1 3.33Å; V95-V97 HydrophobicContact CG2-CG1 4.05Å; V95-A111 HydrophobicContact CG2-CB 4.36Å; V95-A111 PolarHBondContact N-O 3.34Å; V95-A111 PolarHBondContact O-N 3.05Å; V95-V113 HydrophobicContact CB-CG2 4.31Å; V95-V113 HydrophobicContact CG1-CG2 3.6Å; V95-V113 HydrophobicContact CG2-CG2 3.65Å
96	V	94.4	Very high	78.8	Confident	40 Å²	40	63.7 Å²	63.7	24%	0.242	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	125.4	166.2	-169.9	0	0	0	0	107.6	I85 S86 E108	I85-V96 HydrophobicContact CB-CB 4.42Å; I85-V96 WeakPolarHBondContact CB-O 3.23Å; I85-V96 HydrophobicContact CD1-CG1 3.94Å; I85-V96 WeakPolarHBondContact CG1-O 3.28Å; I85-V96 PolarHBondContact N-O 3.5Å; S86-V96 PolarHBondContact N-O 2.55Å; S86-V96 PolarHBondContact O-N 2.9Å; S86-V96 WeakPolarHBondContact OG-CB 3.36Å; S86-V96 WeakPolarHBondContact OG-CG2 3.14Å; V96-E108 HydrophobicContact CG1-CB 3.9Å
97	V	93.1	Very high	78.3	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	140.4	-177.9	-75.4	0	0	0	0	111	V68 L70 V79 C83 L84 V95 V99 Q109 A111	V68-V97 HydrophobicContact CG2-CG2 4.18Å; L70-V97 HydrophobicContact CD2-CG2 3.98Å; V79-V97 HydrophobicContact CB-CG1 4.34Å; V79-V97 HydrophobicContact CG1-CB 4.17Å; V79-V97 HydrophobicContact CG1-CG1 3.93Å; V79-V97 HydrophobicContact CG2-CB 4.27Å; V79-V97 HydrophobicContact CG2-CG1 4.25Å; C83-V97 CarbonylContact O-C 3.44Å; C83-V97 VanDerWaalsContact O-CA 3.27Å; C83-V97 WeakPolarHBondContact O-CA 3.49Å; L84-V97 HydrophobicContact CD1-CG1 4.22Å; V95-V97 HydrophobicContact CG2-CG1 4.05Å; V97-V99 HydrophobicContact CG2-CG2 4.21Å; V97-V99 PolarHBondContact O-N 3.33Å; V97-Q109 WeakPolarHBondContact CG2-O 3.23Å; V97-Q109 PolarHBondContact N-O 3.36Å; V97-Q109 PolarHBondContact O-N 3.02Å; V97-A111 HydrophobicContact CG2-CB 3.72Å
98	R	90.9	Very high	78.4	Confident	98 Å²	98	68 Å²	68	37%	0.37	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	103.5	177.6	-123.8	-179.3	-84.4	130.2	-5.1	108.1	C83 I85 P106 E108	C83-R98 HydrophobicContact CB-CB 4.2Å; C83-R98 WeakPolarHBondContact CB-O 3.09Å; C83-R98 PolarHBondContact O-N 2.91Å; I85-R98 HydrophobicContact CD1-CB 3.74Å; I85-R98 HydrophobicContact CD1-CG 3.59Å; I85-R98 HydrophobicContact CG1-CB 4.02Å; I85-R98 HydrophobicContact CG1-CG 4.3Å; R98-P106 HydrophobicContact CG-CB 3.91Å; R98-P106 HydrophobicContact CG-CG 4.38Å; R98-P106 WeakPolarHBondContact CG-O 3.33Å; R98-E108 HydrophobicContact CG-CG 4.18Å; R98-E108 IonicContact NE-OE1 3.41Å; R98-E108 PolarHBondContact NE-OE1 2.97Å
99	V	86.4	Confident	78.5	Confident	11 Å²	11	67 Å²	67	7%	0.067	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	116.5	-178.4	-173.3	0	0	0	0	109.1	L70 V77 V97 N101 N107	L70-V99 HydrophobicContact CD1-CG2 4.07Å; L70-V99 HydrophobicContact CD2-CG2 3.83Å; V77-V99 HydrophobicContact CG2-CG1 4.39Å; V97-V99 HydrophobicContact CG2-CG2 4.21Å; V97-V99 PolarHBondContact O-N 3.33Å; V99-N101 PolarHBondContact O-N 2.65Å; V99-N107 PolarHBondContact N-O 3.43Å
100	A	72.5	Confident	78.8	Confident	95 Å²	95	67.1 Å²	67.1	79%	0.785	38%	0.383	S	S	*	.			trans	-76.7	89	173.4	0	0	0	0	0	110.3
101	N	64.8	Low	79.1	Confident	85 Å²	85	64.8 Å²	64.8	46%	0.455	37%	0.369	S	S	.	.			trans	-77.2	145.5	161.2	-67.9	0.8	0	0	0	108.7	V99 T103	V99-N101 PolarHBondContact O-N 2.65Å; N101-T103 PolarHBondContact O-N 2.83Å
102	E	52.5	Low	79.3	Confident	110 Å²	110	63 Å²	63	51%	0.514	36%	0.36	S	S	.	.	S	Bend	trans	-69.9	-16	-176.6	-64.1	-169.1	108.7	0	0	113.3	T1217 K1218	E102-T1217 WeakPolarHBondContact O-CB 3.18Å; E102-T1217 PolarHBondContact O-OG1 3.33Å; E102-K1218 HydrophobicContact CB-CB 4.07Å; E102-K1218 HydrophobicContact CB-CD 4.38Å; E102-K1218 HydrophobicContact CG-CD 4.41Å; E102-K1218 WeakPolarHBondContact OE1-CD 3.29Å; E102-K1218 IonicContact OE1-NZ 2.68Å; E102-K1218 PolarHBondContact OE1-NZ 2.99Å
103	T	47.4	Very low	79.5	Confident	82 Å²	82	61 Å²	61	50%	0.503	34%	0.339	S	S	.	.	S	Bend	trans	-103.6	89.3	178	37	0	0	0	0	113.5	N101 T1217	N101-T103 PolarHBondContact O-N 2.83Å; T103-T1217 WeakPolarHBondContact CG2-O 3.29Å
104	A	43.9	Very low	79.7	Confident	45 Å²	45	60.5 Å²	60.5	37%	0.372	34%	0.336	S	S	.	.	S	Bend	trans	59	120.5	161.2	0	0	0	0	0	119.6	K1216	A104-K1216 HydrophobicContact CB-CD 4.17Å
105	L	52	Low	79.6	Confident	149 Å²	149	62.2 Å²	62.2	78%	0.78	34%	0.338	S	S	*	.	S	Bend	trans	63.9	136.4	177.5	-69.4	168.2	0	0	0	115.4	N107	L105-N107 PolarHBondContact O-N 2.97Å
106	P	62	Low	79.6	Confident	71 Å²	71	63 Å²	63	46%	0.461	34%	0.342	S	S	.	.			trans	-80.8	86.9	-174.4	35.7	-36.7	0	0	0	109.8	R98 E108	R98-P106 HydrophobicContact CG-CB 3.91Å; R98-P106 HydrophobicContact CG-CG 4.38Å; R98-P106 WeakPolarHBondContact CG-O 3.33Å; P106-E108 PolarHBondContact O-N 3.04Å; P106-E108 VanDerWaalsContact O-N 3.15Å
107	N	75.8	Confident	79.4	Confident	84 Å²	84	62.3 Å²	62.3	45%	0.449	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	116.3	-174.3	-83.2	-69.6	0	0	0	112.2	V99 L105 Q109	V99-N107 PolarHBondContact N-O 3.43Å; L105-N107 PolarHBondContact O-N 2.97Å; N107-Q109 PolarHBondContact O-N 3.21Å
108	E	89.7	Confident	79.4	Confident	113 Å²	113	63.8 Å²	63.8	53%	0.528	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	122.3	173.6	-46.3	-150.3	148.7	0	0	109.6	I85 V96 R98 P106	I85-E108 HydrophobicContact CD1-CB 3.72Å; I85-E108 HydrophobicContact CD1-CG 3.53Å; I85-E108 VanDerWaalsContact CD1-OE1 3.25Å; I85-E108 WeakPolarHBondContact CD1-OE1 3.37Å; V96-E108 HydrophobicContact CG1-CB 3.9Å; R98-E108 HydrophobicContact CG-CG 4.18Å; R98-E108 IonicContact NE-OE1 3.41Å; R98-E108 PolarHBondContact NE-OE1 2.97Å; P106-E108 PolarHBondContact O-N 3.04Å; P106-E108 VanDerWaalsContact O-N 3.15Å
109	Q	89.4	Confident	79.3	Confident	26 Å²	26	61.4 Å²	61.4	12%	0.121	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	131.4	-176.5	-71.4	-179.3	73.7	0	0	111.5	L70 T72 V97 N107 A111	L70-Q109 HydrophobicContact CD2-CB 4.5Å; T72-Q109 HydrophobicContact CG2-CG 4.38Å; T72-Q109 PolarHBondContact OG1-OE1 2.87Å; V97-Q109 WeakPolarHBondContact CG2-O 3.23Å; V97-Q109 PolarHBondContact N-O 3.36Å; V97-Q109 PolarHBondContact O-N 3.02Å; N107-Q109 PolarHBondContact O-N 3.21Å; Q109-A111 PolarHBondContact O-N 2.7Å
110	A	93.5	Very high	79.6	Confident	34 Å²	34	60.9 Å²	60.9	28%	0.281	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	129.1	170.2	0	0	0	0	0	110.3	K71	K71-A110 WeakPolarHBondContact CB-O 3.46Å; K71-A110 HydrophobicContact CD-CB 4.13Å; K71-A110 PolarHBondContact N-O 2.6Å
111	A	94.1	Very high	80.7	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	160.9	-175.6	0	0	0	0	0	111	V68 Q69 L70 E94 V95 V97 Q109	V68-A111 HydrophobicContact CB-CB 3.86Å; V68-A111 HydrophobicContact CG2-CB 3.97Å; Q69-A111 CarbonylContact O-C 3.54Å; Q69-A111 WeakPolarHBondContact O-CA 3.5Å; Q69-A111 WeakPolarHBondContact O-CB 3.32Å; L70-A111 HydrophobicContact CD2-CB 3.8Å; E94-A111 CarbonylContact C-O 3.53Å; E94-A111 WeakPolarHBondContact CA-O 3.29Å; V95-A111 HydrophobicContact CG2-CB 4.36Å; V95-A111 PolarHBondContact N-O 3.34Å; V95-A111 PolarHBondContact O-N 3.05Å; V97-A111 HydrophobicContact CG2-CB 3.72Å; Q109-A111 PolarHBondContact O-N 2.7Å
112	I	94.4	Very high	82.2	Confident	66 Å²	66	54.8 Å²	54.8	34%	0.338	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	128.7	178.6	-58.4	174.8	0	0	0	109	V68 Q69 I114	V68-I112 CarbonylContact C-O 3.04Å; V68-I112 VanDerWaalsContact CA-O 3.28Å; V68-I112 WeakPolarHBondContact CA-O 3.36Å; Q69-I112 PolarHBondContact N-O 2.87Å; Q69-I112 PolarHBondContact O-N 2.91Å; I112-I114 PolarHBondContact O-N 3.38Å
113	V	95	Very high	84.3	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.006	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	114.3	179.2	-176.5	0	0	0	0	110.3	L66 V68 V90 I91 G92 N93 V95 V116	L66-V113 HydrophobicContact CD1-CG2 4.19Å; L66-V113 HydrophobicContact CD2-CG1 4.13Å; V68-V113 HydrophobicContact CG1-CG2 4.4Å; V90-V113 WeakPolarHBondContact O-CB 3.35Å; I91-V113 WeakPolarHBondContact CA-O 3.48Å; I91-V113 HydrophobicContact CG1-CG1 4.47Å; G92-V113 PolarHBondContact N-O 2.88Å; N93-V113 PolarHBondContact O-N 3.25Å; V95-V113 HydrophobicContact CB-CG2 4.31Å; V95-V113 HydrophobicContact CG1-CG2 3.6Å; V95-V113 HydrophobicContact CG2-CG2 3.65Å; V113-V116 HydrophobicContact CG1-CG2 4.15Å
114	I	94.4	Very high	86.6	Confident	60 Å²	60	46.8 Å²	46.8	31%	0.308	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-37.1	177.8	-46.8	147.5	0	0	0	110.7	R67 V68 Q69 Y76 I91 I112	R67-I114 HydrophobicContact CG-CD1 4.28Å; R67-I114 WeakPolarHBondContact O-CA 3.24Å; R67-I114 WeakPolarHBondContact O-CB 3.48Å; R67-I114 PolarHBondContact O-N 3.42Å; V68-I114 VanDerWaalsContact C-CD1 3.45Å; Q69-I114 HydrophobicContact CB-CD1 3.94Å; Q69-I114 HydrophobicContact CB-CG1 4.08Å; Y76-I114 HydrophobicContact CD1-CD1 3.29Å; Y76-I114 HydrophobicContact CE1-CD1 3.44Å; Y76-I114 VanDerWaalsContact CE1-CD1 3.44Å; Y76-I114 HydrophobicContact CE1-CG1 4.42Å; Y76-I114 HydrophobicContact CG-CD1 4.4Å; I91-I114 WeakPolarHBondContact CG2-O 3.45Å; I112-I114 PolarHBondContact O-N 3.38Å
115	R	92.1	Very high	89.1	Confident	136 Å²	136	45.9 Å²	45.9	51%	0.513	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	128.4	-176.4	-153.6	-171.6	92	132.1	3.4	111.5	L66 R67 T117	L66-R115 CarbonylContact C-O 3.52Å; L66-R115 WeakPolarHBondContact CA-O 3.43Å; R67-R115 HydrophobicContact CB-CB 4.18Å; R67-R115 PolarHBondContact N-O 3.33Å; R67-R115 PolarHBondContact O-N 2.86Å; R67-R115 VanDerWaalsContact O-N 3.15Å; R115-T117 PolarHBondContact NE-OG1 2.69Å; R115-T117 PolarHBondContact NH2-OG1 3.17Å
116	V	92.7	Very high	91.1	Very high	16 Å²	16	39.1 Å²	39.1	10%	0.097	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	139.4	163	-175.6	0	0	0	0	108.3	F37 F64 L66 P89 I91 V113	F37-V116 HydrophobicContact CE2-CG1 4.38Å; F37-V116 HydrophobicContact CZ-CG1 4.03Å; F64-V116 HydrophobicContact CB-CG1 4.47Å; L66-V116 HydrophobicContact CD2-CB 4.44Å; L66-V116 HydrophobicContact CD2-CG1 4.37Å; L66-V116 HydrophobicContact CD2-CG2 3.98Å; P89-V116 WeakPolarHBondContact O-CG2 3.43Å; I91-V116 HydrophobicContact CG1-CG2 3.96Å; V113-V116 HydrophobicContact CG1-CG2 4.15Å
117	T	92	Very high	92.5	Very high	27 Å²	27	38.2 Å²	38.2	17%	0.166	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	118.5	169.7	-46.2	0	0	0	0	107.9	F64 R65 R115 S119	F64-T117 WeakPolarHBondContact CA-O 3.22Å; R65-T117 PolarHBondContact N-O 2.86Å; R65-T117 WeakPolarHBondContact O-CB 3.35Å; R65-T117 PolarHBondContact O-N 3.29Å; R65-T117 PolarHBondContact O-OG1 3.12Å; R65-T117 VanDerWaalsContact O-OG1 3.06Å; R115-T117 PolarHBondContact NE-OG1 2.69Å; R115-T117 PolarHBondContact NH2-OG1 3.17Å; T117-S119 PolarHBondContact O-N 3.3Å
118	D	92.3	Very high	93.2	Very high	31 Å²	31	37.6 Å²	37.6	17%	0.166	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	122.3	173.2	-171.8	6	0	0	0	110.2	F37 S120 Y122 R136	F37-D118 HydrophobicContact CD1-CB 4.11Å; F37-D118 VanDerWaalsContact CD1-CG 3.46Å; F37-D118 WeakPolarHBondContact CD1-OD1 3.4Å; F37-D118 HydrophobicContact CE1-CB 4Å; F37-D118 WeakPolarHBondContact CE1-OD1 3.24Å; D118-S120 WeakPolarHBondContact OD1-CB 3.25Å; D118-S120 PolarHBondContact OD1-N 2.87Å; D118-S120 PolarHBondContact OD1-OG 3.35Å; D118-Y122 WeakPolarHBondContact OD2-CE2 3.37Å; D118-Y122 PolarHBondContact OD2-OH 3.23Å; D118-R136 HydrophobicContact CB-CB 4.45Å; D118-R136 HydrophobicContact CB-CG 4.25Å; D118-R136 VanDerWaalsContact OD2-CB 3.32Å; D118-R136 WeakPolarHBondContact OD2-CB 3.42Å; D118-R136 WeakPolarHBondContact OD2-CD 3.31Å; D118-R136 WeakPolarHBondContact OD2-CG 3.05Å; D118-R136 IonicContact OD2-NE 3.44Å
119	S	89.5	Confident	93.1	Very high	47 Å²	47	34.2 Å²	34.2	33%	0.329	19%	0.191	S	C	.	.			trans	-118.4	6.2	174.2	-60.3	0	0	0	0	111.5	K63 T117	K63-S119 CarbonylContact O-C 3.22Å; K63-S119 VanDerWaalsContact O-CA 3.25Å; K63-S119 WeakPolarHBondContact O-CA 3.3Å; K63-S119 WeakPolarHBondContact O-CB 3.35Å; K63-S119 PolarHBondContact O-N 3.22Å; T117-S119 PolarHBondContact O-N 3.3Å
120	S	92.7	Very high	93.3	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.201	C	C	.	.			trans	-67	152.4	-168.3	-45.5	0	0	0	0	112.4	F37 D61 K63 D118	F37-S120 WeakPolarHBondContact CE1-OG 3.32Å; D61-S120 VanDerWaalsContact O-CA 3.29Å; D61-S120 WeakPolarHBondContact O-CA 3.47Å; D61-S120 VanDerWaalsContact O-CB 3.25Å; D61-S120 WeakPolarHBondContact O-CB 3.28Å; K63-S120 PolarHBondContact N-OG 3.27Å; K63-S120 PolarHBondContact O-N 2.87Å; K63-S120 PolarHBondContact O-OG 2.87Å; K63-S120 VanDerWaalsContact O-OG 3.1Å; D118-S120 WeakPolarHBondContact OD1-CB 3.25Å; D118-S120 PolarHBondContact OD1-N 2.87Å; D118-S120 PolarHBondContact OD1-OG 3.35Å
121	I	94.2	Very high	93.4	Very high	53 Å²	53	39.9 Å²	39.9	27%	0.272	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	126.5	173.2	-52.8	175.3	0	0	0	107.2	D61 T133	D61-I121 HydrophobicContact CB-CB 4.1Å; D61-I121 PolarHBondContact N-O 3.26Å; D61-I121 PolarHBondContact O-N 2.9Å; I121-T133 HydrophobicContact CG2-CG2 4.04Å
122	Y	96.4	Very high	93.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	115.6	-176.6	-66.6	-95.8	0	0	0	107.8	F37 L38 V57 V60 D118 T133 L134 R136 L139	F37-Y122 WeakPolarHBondContact CA-OH 3.37Å; L38-Y122 HydrophobicContact CB-CD1 4.23Å; L38-Y122 HydrophobicContact CB-CE1 3.61Å; L38-Y122 HydrophobicContact CD1-CD1 4.44Å; L38-Y122 HydrophobicContact CD1-CE1 4.25Å; L38-Y122 HydrophobicContact CG-CE1 4.15Å; L38-Y122 PolarHBondContact N-OH 3.42Å; L38-Y122 VanDerWaalsContact N-OH 3.15Å; V57-Y122 HydrophobicContact CG1-CD1 4.05Å; V57-Y122 HydrophobicContact CG2-CD1 4.41Å; V60-Y122 HydrophobicContact CB-CD1 4.28Å; V60-Y122 HydrophobicContact CB-CE1 4.33Å; V60-Y122 HydrophobicContact CG1-CD1 3.77Å; V60-Y122 HydrophobicContact CG1-CE1 3.49Å; V60-Y122 VanDerWaalsContact CG1-CE1 3.49Å; V60-Y122 HydrophobicContact CG1-CG 4.45Å; V60-Y122 HydrophobicContact CG2-CD1 3.66Å; V60-Y122 HydrophobicContact CG2-CE1 3.85Å; D118-Y122 WeakPolarHBondContact OD2-CE2 3.37Å; D118-Y122 PolarHBondContact OD2-OH 3.23Å; Y122-T133 WeakPolarHBondContact O-CA 2.99Å; Y122-L134 PolarHBondContact N-O 2.88Å; Y122-L134 PolarHBondContact O-N 3.31Å; Y122-R136 HydrophobicContact CD2-CB 4.42Å; Y122-R136 HydrophobicContact CE2-CB 3.79Å; Y122-R136 HydrophobicContact CE2-CG 4.33Å; Y122-L139 VanDerWaalsContact CB-CD1 3.44Å; Y122-L139 HydrophobicContact CD1-CD1 4.23Å; Y122-L139 HydrophobicContact CD2-CD1 4.2Å; Y122-L139 HydrophobicContact CG-CD1 3.71Å
123	T	96.6	Very high	93.4	Very high	24 Å²	24	45.4 Å²	45.4	15%	0.147	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	123.7	164.9	-53.7	0	0	0	0	107.1	D58 H59 R132 T133	D58-T123 HydrophobicContact CB-CG2 4.23Å; D58-T123 WeakPolarHBondContact CB-O 3.17Å; D58-T123 PolarHBondContact N-O 2.77Å; H59-T123 PolarHBondContact N-O 2.83Å; H59-T123 PolarHBondContact O-N 2.99Å; T123-R132 WeakPolarHBondContact CA-O 3.38Å; T123-T133 WeakPolarHBondContact OG1-CG2 3.38Å
124	V	95.8	Very high	93.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	144.7	174.6	-54.4	0	0	0	0	110.2	V44 A46 A55 T56 V57 F126 K131 R132 L134 L139	V44-V124 HydrophobicContact CG2-CG1 4.17Å; A46-V124 HydrophobicContact CB-CG2 4.12Å; A55-V124 HydrophobicContact CB-CB 4.04Å; A55-V124 HydrophobicContact CB-CG2 4Å; T56-V124 CarbonylContact O-C 3.55Å; T56-V124 WeakPolarHBondContact O-CA 3.19Å; T56-V124 WeakPolarHBondContact O-CB 3.38Å; V57-V124 HydrophobicContact CG2-CG1 4.2Å; V124-F126 HydrophobicContact CG2-CD2 4.41Å; V124-F126 HydrophobicContact CG2-CE2 3.99Å; V124-F126 HydrophobicContact CG2-CZ 4.28Å; V124-K131 CarbonylContact O-C 3.43Å; V124-K131 WeakPolarHBondContact O-CA 3.46Å; V124-R132 PolarHBondContact N-O 3.07Å; V124-R132 PolarHBondContact O-N 3.2Å; V124-L134 HydrophobicContact CG2-CD1 3.78Å; V124-L134 HydrophobicContact CG2-CG 4.49Å; V124-L139 HydrophobicContact CG1-CD1 3.77Å; V124-L139 HydrophobicContact CG1-CD2 3.91Å
125	V	96.5	Very high	93.4	Very high	25 Å²	25	51 Å²	51	15%	0.152	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	121.3	166.1	-155.8	0	0	0	0	107.4	A55 T56 D58 K131	A55-V125 CarbonylContact C-O 2.96Å; A55-V125 WeakPolarHBondContact CA-O 3.28Å; A55-V125 WeakPolarHBondContact CB-O 3.17Å; T56-V125 PolarHBondContact N-O 3.33Å; T56-V125 PolarHBondContact O-N 3.36Å; D58-V125 HydrophobicContact CB-CG2 3.69Å; V125-K131 HydrophobicContact CB-CG 4.42Å; V125-K131 HydrophobicContact CG1-CG 4.03Å; V125-K131 HydrophobicContact CG2-CD 4.32Å; V125-K131 HydrophobicContact CG2-CG 4.13Å
126	F	94.9	Very high	93.3	Very high	8 Å²	8	47.6 Å²	47.6	4%	0.035	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	162.6	166.9	-74.9	-80.9	0	0	0	110.5	A46 Y48 C53 E54 A55 V124 D128 G129 D130 R132 L134	A46-F126 HydrophobicContact CB-CE1 3.5Å; A46-F126 HydrophobicContact CB-CZ 3.48Å; A46-F126 VanDerWaalsContact CB-CZ 3.48Å; Y48-F126 HydrophobicContact CG-CZ 4.4Å; C53-F126 HydrophobicContact CB-CD1 3.66Å; C53-F126 HydrophobicContact CB-CE1 3.7Å; E54-F126 WeakPolarHBondContact O-CD1 3.34Å; A55-F126 HydrophobicContact CB-CD1 3.88Å; A55-F126 HydrophobicContact CB-CE1 4.16Å; A55-F126 HydrophobicContact CB-CG 4.27Å; V124-F126 HydrophobicContact CG2-CD2 4.41Å; V124-F126 HydrophobicContact CG2-CE2 3.99Å; V124-F126 HydrophobicContact CG2-CZ 4.28Å; F126-D128 WeakPolarHBondContact CB-OD1 3.13Å; F126-D128 PolarHBondContact O-N 3.29Å; F126-G129 PolarHBondContact O-N 3.08Å; F126-D130 HydrophobicContact CB-CB 4.48Å; F126-D130 WeakPolarHBondContact CD2-O 3.31Å; F126-D130 PolarHBondContact N-O 3.46Å; F126-R132 HydrophobicContact CD2-CB 4.45Å; F126-R132 HydrophobicContact CD2-CG 4Å; F126-R132 HydrophobicContact CE2-CB 3.9Å; F126-R132 HydrophobicContact CE2-CG 3.69Å; F126-L134 HydrophobicContact CE2-CD1 4.32Å; F126-L134 HydrophobicContact CZ-CD1 4.06Å
127	D	90.8	Very high	93.2	Very high	52 Å²	52	53 Å²	53	28%	0.278	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-17.5	-175.5	-52.3	-45.9	0	0	0	113.5	E54 G129 S1053 L1054	E54-D127 WeakPolarHBondContact CB-OD2 3.34Å; D127-G129 VanDerWaalsContact C-N 3.3Å; D127-S1053 CarbonylContact O-C 2.81Å; D127-S1053 WeakPolarHBondContact O-CA 3.28Å; D127-L1054 WeakPolarHBondContact O-CD2 3.48Å; D127-L1054 WeakPolarHBondContact O-CG 3.29Å; D127-L1054 PolarHBondContact O-N 3.17Å
128	D	90.1	Very high	93.2	Very high	71 Å²	71	54.8 Å²	54.8	38%	0.38	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-5.5	172.6	38.6	32.2	0	0	0	114	F126 D130 S1052	F126-D128 WeakPolarHBondContact CB-OD1 3.13Å; F126-D128 PolarHBondContact O-N 3.29Å; D128-D130 WeakPolarHBondContact OD1-CB 3.39Å; D128-D130 PolarHBondContact OD1-N 3.36Å; D128-S1052 VanDerWaalsContact CG-OG 3.31Å; D128-S1052 VanDerWaalsContact OD2-CB 3.32Å; D128-S1052 WeakPolarHBondContact OD2-CB 3.36Å; D128-S1052 PolarHBondContact OD2-OG 3.18Å
129	G	88.5	Confident	93.3	Very high	41 Å²	41	53.4 Å²	53.4	42%	0.423	28%	0.276	S	S	.	.	S	Bend	trans	88.8	-2.6	-170.9	0	0	0	0	0	114	F126 D127 K131	F126-G129 PolarHBondContact O-N 3.08Å; D127-G129 VanDerWaalsContact C-N 3.3Å; G129-K131 PolarHBondContact O-N 2.99Å
130	D	93.7	Very high	93.3	Very high	63 Å²	63	53 Å²	53	34%	0.337	27%	0.271	S	S	.	.			trans	-70	112.2	-177.8	-158.7	56.8	0	0	0	109.6	F126 D128 R132	F126-D130 HydrophobicContact CB-CB 4.48Å; F126-D130 WeakPolarHBondContact CD2-O 3.31Å; F126-D130 PolarHBondContact N-O 3.46Å; D128-D130 WeakPolarHBondContact OD1-CB 3.39Å; D128-D130 PolarHBondContact OD1-N 3.36Å; D130-R132 IonicContact OD1-CZ 2.65Å; D130-R132 IonicContact OD1-NH2 2.9Å; D130-R132 PolarHBondContact OD1-NH2 3.02Å; D130-R132 IonicContact OD2-CZ 2.69Å; D130-R132 IonicContact OD2-NE 2.88Å; D130-R132 PolarHBondContact OD2-NE 2.88Å; D130-R132 IonicContact OD2-NH2 3.25Å; D130-R132 PolarHBondContact OD2-NH2 3.26Å
131	K	94.3	Very high	93.3	Very high	116 Å²	116	56.4 Å²	56.4	50%	0.504	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	127.6	-179.7	-67.5	-163.8	174.1	-159.5	0	111.4	D58 V124 V125 G129	D58-K131 IonicContact OD1-NZ 3.33Å; D58-K131 PolarHBondContact OD1-NZ 3.13Å; D58-K131 WeakPolarHBondContact OD2-CE 3.33Å; D58-K131 IonicContact OD2-NZ 3.7Å; D58-K131 PolarHBondContact OD2-NZ 2.92Å; V124-K131 CarbonylContact O-C 3.43Å; V124-K131 WeakPolarHBondContact O-CA 3.46Å; V125-K131 HydrophobicContact CB-CG 4.42Å; V125-K131 HydrophobicContact CG1-CG 4.03Å; V125-K131 HydrophobicContact CG2-CD 4.32Å; V125-K131 HydrophobicContact CG2-CG 4.13Å; G129-K131 PolarHBondContact O-N 2.99Å
132	R	94.4	Very high	93	Very high	89 Å²	89	58.2 Å²	58.2	34%	0.336	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	134.3	179.9	-60.1	-65.6	177.5	-175.3	-11	112.7	Y48 T123 V124 F126 D130 L134	Y48-R132 HydrophobicContact CD2-CG 4.45Å; Y48-R132 HydrophobicContact CE2-CG 4.33Å; T123-R132 WeakPolarHBondContact CA-O 3.38Å; V124-R132 PolarHBondContact N-O 3.07Å; V124-R132 PolarHBondContact O-N 3.2Å; F126-R132 HydrophobicContact CD2-CB 4.45Å; F126-R132 HydrophobicContact CD2-CG 4Å; F126-R132 HydrophobicContact CE2-CB 3.9Å; F126-R132 HydrophobicContact CE2-CG 3.69Å; D130-R132 IonicContact OD1-CZ 2.65Å; D130-R132 IonicContact OD1-NH2 2.9Å; D130-R132 PolarHBondContact OD1-NH2 3.02Å; D130-R132 IonicContact OD2-CZ 2.69Å; D130-R132 IonicContact OD2-NE 2.88Å; D130-R132 PolarHBondContact OD2-NE 2.88Å; D130-R132 IonicContact OD2-NH2 3.25Å; D130-R132 PolarHBondContact OD2-NH2 3.26Å; R132-L134 HydrophobicContact CB-CG 4.29Å
133	T	95.2	Very high	91.8	Very high	93 Å²	93	61.7 Å²	61.7	57%	0.571	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.1	122.5	167	40.6	0	0	0	0	110.8	I121 Y122 T123	I121-T133 HydrophobicContact CG2-CG2 4.04Å; Y122-T133 WeakPolarHBondContact O-CA 2.99Å; T123-T133 WeakPolarHBondContact OG1-CG2 3.38Å
134	L	94.6	Very high	90.5	Very high	8 Å²	8	65.9 Å²	65.9	4%	0.042	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	151.7	-176.2	-62.1	176.7	0	0	0	110.7	A46 Y122 V124 F126 R132 Q138 L139	A46-L134 HydrophobicContact CB-CD1 3.77Å; Y122-L134 PolarHBondContact N-O 2.88Å; Y122-L134 PolarHBondContact O-N 3.31Å; V124-L134 HydrophobicContact CG2-CD1 3.78Å; V124-L134 HydrophobicContact CG2-CG 4.49Å; F126-L134 HydrophobicContact CE2-CD1 4.32Å; F126-L134 HydrophobicContact CZ-CD1 4.06Å; R132-L134 HydrophobicContact CB-CG 4.29Å; L134-Q138 HydrophobicContact CB-CB 4.25Å; L134-L139 HydrophobicContact CB-CD2 4.19Å; L134-L139 HydrophobicContact CD1-CD2 3.88Å
135	R	93.4	Very high	88.6	Confident	172 Å²	172	73.9 Å²	73.9	65%	0.649	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	156.4	175.9	-61.6	-174.7	-178.7	-144.5	-1.2	110.9	T137 Q138	R135-T137 PolarHBondContact O-N 3.35Å; R135-Q138 WeakPolarHBondContact O-CB 3.47Å; R135-Q138 PolarHBondContact O-N 3.12Å
136	R	91.3	Very high	86.5	Confident	64 Å²	64	75 Å²	75	24%	0.242	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-46.6	-34.4	175.6	-172.7	60.7	-176.2	88.4	-8.1	114.6	D118 Y122 Q138 L139	D118-R136 HydrophobicContact CB-CB 4.45Å; D118-R136 HydrophobicContact CB-CG 4.25Å; D118-R136 VanDerWaalsContact OD2-CB 3.32Å; D118-R136 WeakPolarHBondContact OD2-CB 3.42Å; D118-R136 WeakPolarHBondContact OD2-CD 3.31Å; D118-R136 WeakPolarHBondContact OD2-CG 3.05Å; D118-R136 IonicContact OD2-NE 3.44Å; Y122-R136 HydrophobicContact CD2-CB 4.42Å; Y122-R136 HydrophobicContact CE2-CB 3.79Å; Y122-R136 HydrophobicContact CE2-CG 4.33Å; R136-Q138 VanDerWaalsContact C-N 3.27Å; R136-Q138 PolarHBondContact O-N 2.91Å; R136-L139 PolarHBondContact NH1-O 2.93Å; R136-L139 PolarHBondContact O-N 2.98Å
137	T	90.6	Very high	84.3	Confident	128 Å²	128	81.1 Å²	81.1	79%	0.785	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-72.7	-12.1	179.7	51.6	0	0	0	0	115	R135	R135-T137 PolarHBondContact O-N 3.35Å
138	Q	92.6	Very high	82.2	Confident	65 Å²	65	85.2 Å²	85.2	30%	0.304	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-98.3	-7.8	173.5	-63.6	168.4	-90.8	0	0	111.8	K47 L134 R135 R136	K47-Q138 HydrophobicContact CB-CB 4.42Å; K47-Q138 WeakPolarHBondContact CB-O 3.18Å; K47-Q138 PolarHBondContact N-O 3.29Å; L134-Q138 HydrophobicContact CB-CB 4.25Å; R135-Q138 WeakPolarHBondContact O-CB 3.47Å; R135-Q138 PolarHBondContact O-N 3.12Å; R136-Q138 VanDerWaalsContact C-N 3.27Å; R136-Q138 PolarHBondContact O-N 2.91Å
139	L	92.7	Very high	80	Confident	3 Å²	3	89.3 Å²	89.3	2%	0.016	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	140.9	179.6	-57.2	-172	0	0	0	111.2	L38 V44 A46 V57 Y122 V124 L134 R136	L38-L139 HydrophobicContact CD1-CB 4.09Å; L38-L139 HydrophobicContact CD1-CD1 3.99Å; V44-L139 HydrophobicContact CG2-CD2 4.26Å; A46-L139 HydrophobicContact CB-CD2 3.47Å; A46-L139 VanDerWaalsContact CB-CD2 3.47Å; V57-L139 HydrophobicContact CG2-CD1 4.49Å; Y122-L139 VanDerWaalsContact CB-CD1 3.44Å; Y122-L139 HydrophobicContact CD1-CD1 4.23Å; Y122-L139 HydrophobicContact CD2-CD1 4.2Å; Y122-L139 HydrophobicContact CG-CD1 3.71Å; V124-L139 HydrophobicContact CG1-CD1 3.77Å; V124-L139 HydrophobicContact CG1-CD2 3.91Å; L134-L139 HydrophobicContact CB-CD2 4.19Å; L134-L139 HydrophobicContact CD1-CD2 3.88Å; R136-L139 PolarHBondContact NH1-O 2.93Å; R136-L139 PolarHBondContact O-N 2.98Å
140	V	91.1	Very high	77.9	Confident	38 Å²	38	92.4 Å²	92.4	23%	0.23	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	155	168	-163.7	0	0	0	0	108.1	V44 S45 F52 E144 H146	V44-V140 CarbonylContact C-O 3.47Å; V44-V140 WeakPolarHBondContact CA-O 3.35Å; V44-V140 VanDerWaalsContact CB-O 3.28Å; V44-V140 WeakPolarHBondContact CB-O 3.48Å; S45-V140 PolarHBondContact N-O 2.86Å; S45-V140 PolarHBondContact O-N 3.5Å; F52-V140 HydrophobicContact CE1-CG2 4.33Å; V140-E144 HydrophobicContact CG1-CB 4Å; V140-E144 WeakPolarHBondContact CG1-OE2 3.46Å; V140-H146 VanDerWaalsContact CB-CD2 3.45Å; V140-H146 WeakPolarHBondContact CB-CD2 3.21Å
141	I	92.3	Very high	75.8	Confident	71 Å²	71	95.4 Å²	95.4	36%	0.364	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	141.4	-177.2	-60.6	173.8	0	0	0	109.6	L38 G143 E144 H146	L38-I141 HydrophobicContact CD2-CD1 4.23Å; L38-I141 HydrophobicContact CD2-CG1 3.92Å; I141-G143 PolarHBondContact O-N 2.83Å; I141-E144 HydrophobicContact CB-CG 4.49Å; I141-E144 PolarHBondContact O-N 3.02Å; I141-E144 VanDerWaalsContact O-N 3.17Å; I141-H146 PolarHBondContact O-NE2 3.4Å
142	K	87.3	Confident	73.7	Confident	92 Å²	92	91.9 Å²	91.9	40%	0.4	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	126.5	177.1	-175.4	164	172	156	0	109.1	A43 E54	A43-K142 HydrophobicContact CB-CB 3.98Å; A43-K142 HydrophobicContact CB-CD 3.93Å; A43-K142 WeakPolarHBondContact O-CB 3.45Å; A43-K142 PolarHBondContact O-N 3.14Å; E54-K142 HydrophobicContact CB-CD 4.45Å; E54-K142 VanDerWaalsContact CD-NZ 3.26Å; E54-K142 WeakPolarHBondContact OE1-CE 3.47Å; E54-K142 IonicContact OE1-NZ 2.93Å; E54-K142 WeakPolarHBondContact OE2-CE 3.49Å; E54-K142 IonicContact OE2-NZ 2.67Å; E54-K142 PolarHBondContact OE2-NZ 3.27Å
143	G	72.5	Confident	71.8	Confident	73 Å²	73	94.4 Å²	94.4	75%	0.753	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.5	-12.3	-175.8	0	0	0	0	0	116.9	I141	I141-G143 PolarHBondContact O-N 2.83Å
144	E	67.6	Low	70	Confident	111 Å²	111	96.7 Å²	96.7	52%	0.519	49%	0.486	S	S	.	.	S	Bend	trans	-66.7	151.4	162.4	-84.5	-167.2	114.8	0	0	110.4	V140 I141 H146	V140-E144 HydrophobicContact CG1-CB 4Å; V140-E144 WeakPolarHBondContact CG1-OE2 3.46Å; I141-E144 HydrophobicContact CB-CG 4.49Å; I141-E144 PolarHBondContact O-N 3.02Å; I141-E144 VanDerWaalsContact O-N 3.17Å; E144-H146 PolarHBondContact O-CD2 3.27Å; E144-H146 PolarHBondContact O-CE1 2.97Å; E144-H146 VanDerWaalsContact O-CE1 3.3Å; E144-H146 PolarHBondContact O-N 3.06Å; E144-H146 PolarHBondContact O-NE2 3.06Å
145	R	57	Low	67.8	Low	168 Å²	168	100.8 Å²	100.8	63%	0.634	52%	0.515	S	S	*	.			trans	-79.4	103.2	178.2	-64.4	-174.9	-175.2	-150.2	-7.7	110	F147 H2132	R145-F147 PolarHBondContact O-N 2.98Å; R145-F147 VanDerWaalsContact O-N 3.07Å; R145-H2132 PolarHBondContact NE-CE1 3.31Å; R145-H2132 PolarHBondContact NE-NE2 3.46Å; R145-H2132 PolarHBondContact NH1-NE2 2.8Å; R145-H2132 PolarHBondContact NH2-CE1 3.38Å; R145-H2132 PolarHBondContact NH2-NE2 2.83Å; R145-H2132 VanDerWaalsContact NH2-NE2 3.12Å
146	H	51	Low	66.1	Low	48 Å²	48	96.7 Å²	96.7	22%	0.222	51%	0.505	C	S	.	.			trans	-72.4	1	-168.1	-54.2	130.4	0	0	0	116.7	S45 V140 I141 E144	S45-H146 WeakPolarHBondContact CB-CE1 3.31Å; V140-H146 VanDerWaalsContact CB-CD2 3.45Å; V140-H146 WeakPolarHBondContact CB-CD2 3.21Å; I141-H146 PolarHBondContact O-NE2 3.4Å; E144-H146 PolarHBondContact O-CD2 3.27Å; E144-H146 PolarHBondContact O-CE1 2.97Å; E144-H146 VanDerWaalsContact O-CE1 3.3Å; E144-H146 PolarHBondContact O-N 3.06Å; E144-H146 PolarHBondContact O-NE2 3.06Å
147	F	50.2	Low	63.8	Low	138 Å²	138	97.4 Å²	97.4	61%	0.605	52%	0.518	S	S	*	.			trans	-116.9	132.2	-179.5	-59.9	-84.1	0	0	0	111.6	F52 R145 E149	F52-F147 HydrophobicContact CD2-CZ 4.46Å; R145-F147 PolarHBondContact O-N 2.98Å; R145-F147 VanDerWaalsContact O-N 3.07Å; F147-E149 PolarHBondContact O-N 3.27Å
148	K	45.9	Very low	61.8	Low	138 Å²	138	99 Å²	99	60%	0.6	52%	0.521	S	S	*	.			trans	-66.5	127.4	151.3	-59.9	-174.9	-151.9	102.2	0	106.3	S150 E151	K148-S150 PolarHBondContact O-N 2.81Å; K148-E151 HydrophobicContact CB-CB 4.28Å; K148-E151 IonicContact NZ-OE2 3.75Å; K148-E151 PolarHBondContact NZ-OE2 2.75Å; K148-E151 WeakPolarHBondContact O-CA 3.42Å; K148-E151 WeakPolarHBondContact O-CB 3.46Å; K148-E151 PolarHBondContact O-N 2.81Å
149	E	44.6	Very low	59.3	Low	156 Å²	156	101.9 Å²	101.9	73%	0.729	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-59.6	-22.7	178.8	-64.7	167.7	157.3	0	0	111.9	F147 E151	F147-E149 PolarHBondContact O-N 3.27Å; E149-E151 PolarHBondContact O-N 3.06Å
150	S	44	Very low	56.9	Low	106 Å²	106	106.1 Å²	106.1	74%	0.741	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-74.7	2.3	171	69.2	0	0	0	0	115.6	K148	K148-S150 PolarHBondContact O-N 2.81Å
151	E	49.1	Very low	54.8	Low	127 Å²	127	109.4 Å²	109.4	59%	0.593	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-126.1	10.2	-179.3	-154.5	165.8	176.3	0	0	110.6	K148 E149	K148-E151 HydrophobicContact CB-CB 4.28Å; K148-E151 IonicContact NZ-OE2 3.75Å; K148-E151 PolarHBondContact NZ-OE2 2.75Å; K148-E151 WeakPolarHBondContact O-CA 3.42Å; K148-E151 WeakPolarHBondContact O-CB 3.46Å; K148-E151 PolarHBondContact O-N 2.81Å; E149-E151 PolarHBondContact O-N 3.06Å
152	S	50.2	Low	53.1	Low	42 Å²	42	113.3 Å²	113.3	29%	0.294	61%	0.605	S	S	.	*			trans	-68.1	138.2	167.2	-170.2	0	0	0	0	110.6	D154 C155	S152-D154 PolarHBondContact O-N 3.47Å; S152-D154 PolarHBondContact OG-OD2 3Å; S152-C155 PolarHBondContact O-N 3.06Å
153	L	54.7	Low	51.2	Low	141 Å²	141	115.7 Å²	115.7	74%	0.738	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-60.3	-28.4	176.1	-74.9	163.7	0	0	0	112.4	C155 L156	L153-C155 PolarHBondContact O-N 3.29Å; L153-L156 HydrophobicContact CD2-CD1 4.09Å; L153-L156 PolarHBondContact O-N 2.94Å
154	D	57.3	Low	50.1	Low	141 Å²	141	119.9 Å²	119.9	75%	0.754	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-66.7	-14.4	179.8	-46.7	-46.9	0	0	0	113.6	S152	S152-D154 PolarHBondContact O-N 3.47Å; S152-D154 PolarHBondContact OG-OD2 3Å
155	C	47.9	Very low	48.7	Very low	94 Å²	94	125.2 Å²	125.2	64%	0.635	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-92.4	6.1	179.5	-67.6	0	0	0	0	113.3	S152 L153	S152-C155 PolarHBondContact O-N 3.06Å; L153-C155 PolarHBondContact O-N 3.29Å
156	L	58.8	Low	47.9	Very low	86 Å²	86	125 Å²	125	45%	0.45	64%	0.637	S	S	.	*	S	Bend	trans	-76.5	131.6	170.7	-70.6	169.3	0	0	0	110.2	L153 L158	L153-L156 HydrophobicContact CD2-CD1 4.09Å; L153-L156 PolarHBondContact O-N 2.94Å; L156-L158 PolarHBondContact O-N 3.29Å
157	P	43.4	Very low	47.1	Very low	79 Å²	79	127.7 Å²	127.7	51%	0.513	66%	0.658	S	S	.	*			trans	-72.2	92.3	175.9	29.8	-33.8	0	0	0	110.2	T159	P157-T159 PolarHBondContact O-N 3.32Å
158	L	48.1	Very low	46.6	Very low	162 Å²	162	128 Å²	128	85%	0.848	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	12.1	176.8	-77.4	164.9	0	0	0	114.4	L156	L156-L158 PolarHBondContact O-N 3.29Å
159	T	40.1	Very low	46	Very low	126 Å²	126	125.2 Å²	125.2	77%	0.773	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.8	7.7	-175.2	50	0	0	0	0	114.1	P157	P157-T159 PolarHBondContact O-N 3.32Å
160	N	41	Very low	45.8	Very low	92 Å²	92	121 Å²	121	49%	0.492	64%	0.644	S	S	.	*			trans	-148.9	92.4	173.9	-142	-30.9	0	0	0	114.3	E162 Q163	N160-E162 VanDerWaalsContact C-N 3.35Å; N160-E162 PolarHBondContact O-N 2.97Å; N160-Q163 PolarHBondContact O-N 2.89Å
161	P	47.8	Very low	45.7	Very low	107 Å²	107	124.4 Å²	124.4	70%	0.695	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-70.8	-22.2	-171	27.4	-34.6	0	0	0	114.6	Q163 F164	P161-Q163 PolarHBondContact O-N 3.49Å; P161-F164 PolarHBondContact O-N 3.33Å
162	E	56.8	Low	45.4	Very low	153 Å²	153	129.5 Å²	129.5	72%	0.715	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-65.6	-23.7	179.2	-66.6	-151.2	109.5	0	0	113.4	N160 F164 R165	N160-E162 VanDerWaalsContact C-N 3.35Å; N160-E162 PolarHBondContact O-N 2.97Å; E162-F164 PolarHBondContact O-N 2.79Å; E162-F164 VanDerWaalsContact O-N 3.14Å; E162-R165 PolarHBondContact O-N 3.32Å
163	Q	48.3	Very low	44.8	Very low	141 Å²	141	136.6 Å²	136.6	66%	0.659	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-68.5	-13.8	-176.8	-157.9	165.9	3.8	0	0	113.2	N160 P161 R165 Q166	N160-Q163 PolarHBondContact O-N 2.89Å; P161-Q163 PolarHBondContact O-N 3.49Å; Q163-R165 PolarHBondContact O-N 2.86Å; Q163-Q166 PolarHBondContact O-N 3.23Å
164	F	47.4	Very low	43.7	Very low	162 Å²	162	137 Å²	137	71%	0.711	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-68.2	-8.2	173.2	-83.1	-88.2	0	0	0	114.7	P161 E162 Q166	P161-F164 PolarHBondContact O-N 3.33Å; E162-F164 PolarHBondContact O-N 2.79Å; E162-F164 VanDerWaalsContact O-N 3.14Å; F164-Q166 PolarHBondContact O-N 2.73Å
165	R	38.3	Very low	42.5	Very low	223 Å²	223	140.5 Å²	140.5	84%	0.842	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-74.7	1.8	174.5	-68.3	-168.5	-178	-88.3	2.4	114.7	E162 Q163	E162-R165 PolarHBondContact O-N 3.32Å; Q163-R165 PolarHBondContact O-N 2.86Å
166	Q	40.8	Very low	41.8	Very low	164 Å²	164	147.6 Å²	147.6	77%	0.766	70%	0.696	S	S	*	*	S	Bend	trans	-119.1	121.8	166.7	-63.3	-172.5	13.7	0	0	110.1	Q163 F164	Q163-Q166 PolarHBondContact O-N 3.23Å; F164-Q166 PolarHBondContact O-N 2.73Å
167	P	34.4	Very low	40.4	Very low	103 Å²	103	148.8 Å²	148.8	67%	0.669	71%	0.712	S	S	*	*			trans	-63.8	146.6	174.2	26.9	-33.5	0	0	0	110.3	I169	P167-I169 HydrophobicContact CG-CD1 4.21Å; P167-I169 HydrophobicContact CG-CG1 4.2Å; P167-I169 PolarHBondContact O-N 3.28Å
168	V	38.9	Very low	39.7	Very low	146 Å²	146	148.6 Å²	148.6	89%	0.885	73%	0.725	S	S	*	*			trans	-71.9	76.2	-179	-174.1	0	0	0	0	110.3	D170	V168-D170 PolarHBondContact O-N 2.88Å
169	I	34.3	Very low	39.2	Very low	79 Å²	79	149 Å²	149	41%	0.405	72%	0.722	S	S	.	*			trans	-77.1	103.4	175.5	-62.5	174.1	0	0	0	108.1	P167 Q171 K174	P167-I169 HydrophobicContact CG-CD1 4.21Å; P167-I169 HydrophobicContact CG-CG1 4.2Å; P167-I169 PolarHBondContact O-N 3.28Å; I169-Q171 PolarHBondContact O-N 3.23Å; I169-K174 HydrophobicContact CD1-CD 4.47Å; I169-K174 HydrophobicContact CG2-CD 4.17Å; I169-K174 HydrophobicContact CG2-CG 4.09Å
170	D	39.9	Very low	39	Very low	66 Å²	66	148.6 Å²	148.6	35%	0.353	72%	0.715	S	S	.	*			trans	-41.2	107.8	159	172.6	7.2	0	0	0	110.1	V168 R172 R173	V168-D170 PolarHBondContact O-N 2.88Å; D170-R172 PolarHBondContact O-N 2.85Å; D170-R172 WeakPolarHBondContact OD1-CB 3.37Å; D170-R172 PolarHBondContact OD1-N 2.85Å; D170-R172 VanDerWaalsContact OD1-N 3.13Å; D170-R173 PolarHBondContact O-N 3.42Å; D170-R173 IonicContact OD2-CZ 3.56Å; D170-R173 VanDerWaalsContact OD2-CZ 3.26Å; D170-R173 IonicContact OD2-NE 3.4Å; D170-R173 PolarHBondContact OD2-NE 3.38Å; D170-R173 IonicContact OD2-NH2 2.76Å; D170-R173 PolarHBondContact OD2-NH2 2.96Å
171	Q	42	Very low	38.6	Very low	178 Å²	178	146.7 Å²	146.7	83%	0.832	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	1.6	-172.9	-65.7	-173.7	2.9	0	0	113.4	I169	I169-Q171 PolarHBondContact O-N 3.23Å
172	R	43.7	Very low	37.9	Very low	235 Å²	235	144.7 Å²	144.7	89%	0.887	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-5.4	168.5	-64.5	-175.8	168	-158.4	-5.1	114.4	D170	D170-R172 PolarHBondContact O-N 2.85Å; D170-R172 WeakPolarHBondContact OD1-CB 3.37Å; D170-R172 PolarHBondContact OD1-N 2.85Å; D170-R172 VanDerWaalsContact OD1-N 3.13Å
173	R	37.5	Very low	36.6	Very low	190 Å²	190	139.7 Å²	139.7	72%	0.717	69%	0.687	S	S	*	*	S	Bend	trans	-108.5	-1.8	-179.2	-96.3	179.5	-76.5	172.4	-3.3	116.2	D170 Y175	D170-R173 PolarHBondContact O-N 3.42Å; D170-R173 IonicContact OD2-CZ 3.56Å; D170-R173 VanDerWaalsContact OD2-CZ 3.26Å; D170-R173 IonicContact OD2-NE 3.4Å; D170-R173 PolarHBondContact OD2-NE 3.38Å; D170-R173 IonicContact OD2-NH2 2.76Å; D170-R173 PolarHBondContact OD2-NH2 2.96Å; R173-Y175 PolarHBondContact O-N 3.49Å
174	K	31.6	Very low	35.9	Very low	150 Å²	150	139.3 Å²	139.3	65%	0.652	69%	0.688	S	S	*	*	S	Bend	trans	-93.6	76	166.9	-98.5	-172.5	171.3	177.3	0	111.2	I169	I169-K174 HydrophobicContact CD1-CD 4.47Å; I169-K174 HydrophobicContact CG2-CD 4.17Å; I169-K174 HydrophobicContact CG2-CG 4.09Å
175	Y	31.6	Very low	35.3	Very low	214 Å²	214	138 Å²	138	84%	0.839	69%	0.688	S	S	*	*	S	Bend	trans	-177.3	123.3	148.4	-93.6	-62.9	0	0	0	108.7	R173	R173-Y175 PolarHBondContact O-N 3.49Å
176	R	32.4	Very low	35.1	Very low	243 Å²	243	133.1 Å²	133.1	92%	0.917	68%	0.679	S	S	*	*	S	Bend	trans	68.6	133.1	-167.7	-52.4	-176.9	-179.5	-137.3	-1.3	113.7
177	S	30.1	Very low	34.7	Very low	111 Å²	111	132.5 Å²	132.5	78%	0.776	68%	0.676	S	S	*	*			cis	-147.3	172.1	-6.5	51.9	0	0	0	0	111
178	G	28.3	Very low	34.6	Very low	76 Å²	76	133 Å²	133	78%	0.784	67%	0.673	S	S	*	*			trans	-171.1	104.4	175.9	0	0	0	0	0	110.5
179	E	37.5	Very low	34.3	Very low	171 Å²	171	132.1 Å²	132.1	80%	0.799	66%	0.661	S	S	*	*			trans	-138.3	156	-175.4	-64.7	164.5	137.6	0	0	105.9
180	D	35.4	Very low	34.1	Very low	117 Å²	117	134.8 Å²	134.8	63%	0.626	68%	0.676	S	S	*	*			cis	-161.7	173.5	10.6	-152	-4	0	0	0	114.5	V1132	D180-V1132 HydrophobicContact CB-CG2 4.37Å
181	G	33.8	Very low	33.6	Very low	51 Å²	51	135.3 Å²	135.3	53%	0.526	68%	0.676	S	S	.	*			trans	132.6	131.8	161	0	0	0	0	0	114.1
182	S	32.7	Very low	33.1	Very low	66 Å²	66	131.1 Å²	131.1	46%	0.462	66%	0.658	S	S	.	*			cis	-151.8	162.9	27.6	171.6	0	0	0	0	112.3	R1133 R1134	S182-R1133 WeakPolarHBondContact OG-CD 3.16Å; S182-R1134 PolarHBondContact OG-NE 3.13Å; S182-R1134 PolarHBondContact OG-NH2 2.63Å
183	S	29.5	Very low	32.3	Very low	47 Å²	47	126.8 Å²	126.8	33%	0.329	65%	0.648	S	S	.	*			trans	-91.5	170.2	-175.7	60.1	0	0	0	0	116.3	R1133 R1134	S183-R1133 PolarHBondContact OG-NE 2.85Å; S183-R1133 PolarHBondContact OG-NH1 2.89Å; S183-R1134 PolarHBondContact O-NH2 2.8Å
184	I	33	Very low	31.9	Very low	133 Å²	133	122 Å²	122	68%	0.682	64%	0.641	S	S	*	*				-154.7	138.5	105.8	-112.3	164.2	0	0	0	112.9
185	L	35	Very low	31.8	Very low	134 Å²	134	123.2 Å²	123.2	70%	0.702	65%	0.648	S	S	*	*			trans	64.7	131.8	161	-65.7	170.9	0	0	0	123.4
186	D	33.7	Very low	31.5	Very low	122 Å²	122	120.1 Å²	120.1	65%	0.652	65%	0.646	S	S	*	*			trans	68.8	144.1	134.5	-51.4	-8.4	0	0	0	124.3
187	E	32.7	Very low	31.7	Very low	151 Å²	151	114.9 Å²	114.9	71%	0.706	64%	0.641	S	S	*	*			cis	-162.8	155	-41.7	-131	-176.3	-143.2	0	0	110.3
188	N	33.3	Very low	31.9	Very low	114 Å²	114	117.3 Å²	117.3	61%	0.61	65%	0.645	S	S	*	*			trans	55.9	105.7	165.2	-55.1	-45.4	0	0	0	118.7
189	M	31.8	Very low	32.1	Very low	127 Å²	127	119.8 Å²	119.8	63%	0.626	64%	0.637	S	S	*	*				76.8	114.5	101.6	-64.6	-81.9	175.9	0	0	112.5
190	D	30.6	Very low	31.7	Very low	135 Å²	135	121.3 Å²	121.3	72%	0.722	64%	0.635	S	S	*	*				66.1	148.2	66.7	-60.3	-56.4	0	0	0	110.8
191	E	29	Very low	31.3	Very low	77 Å²	77	120.2 Å²	120.2	36%	0.36	64%	0.636	S	S	.	*				-177.6	158.3	55.7	-138.5	152.4	-137.2	0	0	111.2	K1218 Q1219	E191-K1218 WeakPolarHBondContact OE1-CA 3.45Å; E191-K1218 WeakPolarHBondContact OE1-CG 3.29Å; E191-K1218 PolarHBondContact OE1-N 2.8Å; E191-K1218 VanDerWaalsContact OE1-N 3.15Å; E191-K1218 PolarHBondContact OE2-N 3.46Å; E191-Q1219 CarbonylContact C-O 3.18Å; E191-Q1219 VanDerWaalsContact CA-O 3.27Å; E191-Q1219 WeakPolarHBondContact CA-O 3.45Å; E191-Q1219 VanDerWaalsContact CG-N 3.35Å; E191-Q1219 WeakPolarHBondContact CG-O 3.48Å
192	I	31	Very low	31.1	Very low	89 Å²	89	124 Å²	124	46%	0.456	65%	0.65	S	S	.	*			trans	68.1	144.4	163.3	-4.3	-171.4	0	0	0	116.4	Q1219 L1220	I192-Q1219 HydrophobicContact CB-CB 3.97Å; I192-Q1219 HydrophobicContact CG1-CB 4.37Å; I192-Q1219 HydrophobicContact CG2-CB 3.44Å; I192-Q1219 VanDerWaalsContact CG2-CB 3.44Å; I192-Q1219 VanDerWaalsContact CG2-CD 3.49Å; I192-Q1219 HydrophobicContact CG2-CG 3.87Å; I192-Q1219 VanDerWaalsContact CG2-NE2 3.34Å; I192-Q1219 PolarHBondContact N-O 3.46Å; I192-L1220 CarbonylContact C-O 3.33Å; I192-L1220 WeakPolarHBondContact CA-O 3.34Å; I192-L1220 PolarHBondContact N-O 2.9Å; I192-L1220 VanDerWaalsContact N-O 3.14Å
193	E	28.7	Very low	31	Very low	144 Å²	144	127.4 Å²	127.4	67%	0.673	67%	0.667	S	S	*	*			cis	-138.9	-176.3	13.7	-96	-161	146.7	0	0	116.2
194	T	29.1	Very low	31	Very low	91 Å²	91	133 Å²	133	56%	0.558	69%	0.686	S	S	*	*			trans	-80.4	179.2	-179.7	39.7	0	0	0	0	117.3
195	E	27.7	Very low	30.8	Very low	174 Å²	174	132.7 Å²	132.7	81%	0.813	69%	0.685	S	S	*	*			trans	11.8	129.3	147	-58.5	179.1	169.6	0	0	117.3
196	D	26.6	Very low	30.6	Very low	149 Å²	149	135.4 Å²	135.4	80%	0.797	69%	0.692	S	S	*	*			cis	-155.5	150.4	49.4	-93.7	-46.9	0	0	0	113
197	V	36.7	Very low	30.4	Very low	133 Å²	133	135.4 Å²	135.4	81%	0.806	69%	0.691	S	S	*	*			trans	-146.7	117.3	150.8	-174.1	0	0	0	0	111
198	D	33.5	Very low	30.5	Very low	162 Å²	162	136.5 Å²	136.5	87%	0.866	70%	0.696	S	S	*	*			trans	-128.7	157.7	133.4	-118.8	-31.5	0	0	0	107.2
199	E	32.4	Very low	30.3	Very low	128 Å²	128	136.1 Å²	136.1	60%	0.598	70%	0.699	S	S	*	*			trans	-76.5	157.7	-146.3	-59.9	-166.4	88.7	0	0	119.4
200	R	30.4	Very low	30.3	Very low	203 Å²	203	137.8 Å²	137.8	77%	0.766	71%	0.708	S	S	*	*			trans	78.6	146.4	143.5	-78.7	156.7	-153.5	-156.9	14.2	118.6
201	S	26.5	Very low	30	Very low	94 Å²	94	135.4 Å²	135.4	66%	0.657	70%	0.702	S	S	*	*			cis	-168.4	167.2	1.3	42.9	0	0	0	0	113.3
202	V	29.2	Very low	29.9	Very low	132 Å²	132	142.7 Å²	142.7	80%	0.8	73%	0.728	S	S	*	*			trans	62.1	155	167.1	-95.4	0	0	0	0	115.6
203	V	31.1	Very low	29.7	Very low	136 Å²	136	146.9 Å²	146.9	82%	0.824	75%	0.746	S	S	*	*			cis	-128.7	162.1	16.4	-154.5	0	0	0	0	112
204	K	29.4	Very low	30.1	Very low	166 Å²	166	144.4 Å²	144.4	72%	0.722	74%	0.742	S	S	*	*			trans	-64.4	171.9	155.7	-64.3	-177.6	169	-176.8	0	111.5
205	D	29.3	Very low	30	Very low	125 Å²	125	147.3 Å²	147.3	67%	0.668	75%	0.754	S	S	*	*			trans	57.5	88.5	150	-49.6	-29.5	0	0	0	117.1
206	F	30.5	Very low	30	Very low	192 Å²	192	142.2 Å²	142.2	84%	0.842	75%	0.749	S	S	*	*				-161.5	114.1	95.5	-117.6	-92	0	0	0	113
207	N	29.8	Very low	30.2	Very low	121 Å²	121	142.3 Å²	142.3	65%	0.647	75%	0.749	S	S	*	*			trans	22	119.7	147.9	-65.7	-12.1	0	0	0	121.8
208	Q	33	Very low	29.9	Very low	174 Å²	174	140.4 Å²	140.4	81%	0.813	74%	0.742	S	S	*	*				57.3	141	102.5	-162.9	176.1	67	0	0	119.4
209	T	29.6	Very low	29.9	Very low	107 Å²	107	139.2 Å²	139.2	66%	0.656	74%	0.735	S	S	*	*			cis	177.6	142.8	-19.4	-90.2	0	0	0	0	108
210	I	31.5	Very low	30.3	Very low	161 Å²	161	141.7 Å²	141.7	83%	0.826	74%	0.744	S	S	*	*			trans	73.7	153	163.1	-77.4	164.4	0	0	0	119.4
211	S	25.5	Very low	30.3	Very low	86 Å²	86	138.5 Å²	138.5	60%	0.601	74%	0.742	S	S	*	*			trans	-97.3	158.4	-177.6	54.7	0	0	0	0	114.6
212	Y	26.7	Very low	30.8	Very low	229 Å²	229	139.5 Å²	139.5	90%	0.898	74%	0.744	S	S	*	*				-178.1	161.2	121.9	-103.1	-74.6	0	0	0	110.6
213	Q	25.9	Very low	30.9	Very low	178 Å²	178	140.2 Å²	140.2	83%	0.832	74%	0.743	S	S	*	*			trans	-111.9	-159.5	176.6	-54.7	-172	-35.9	0	0	109.4
214	P	37.8	Very low	30.8	Very low	92 Å²	92	144.4 Å²	144.4	60%	0.597	74%	0.744	S	S	*	*			cis	-141	-170.9	-9.9	42.3	-23.1	0	0	0	116.2
215	N	26.2	Very low	30.8	Very low	151 Å²	151	142.8 Å²	142.8	81%	0.807	74%	0.744	S	S	*	*			trans	68.3	153.1	160.7	-59.1	-13.4	0	0	0	117.2
216	G	29.4	Very low	31	Very low	68 Å²	68	143.9 Å²	143.9	70%	0.701	75%	0.75	S	S	*	*			cis	-177.1	-172.7	-1.4	0	0	0	0	0	107.1
217	N	28.8	Very low	31.3	Very low	151 Å²	151	138.3 Å²	138.3	81%	0.807	74%	0.739	S	S	*	*			cis	-168.4	169.2	-8.6	-92.6	2.5	0	0	0	103.6
218	S	30.4	Very low	31.4	Very low	93 Å²	93	139.6 Å²	139.6	65%	0.65	75%	0.745	S	S	*	*			cis	-148.1	-162.1	-9.9	40.6	0	0	0	0	104.3
219	D	35.3	Very low	31.3	Very low	136 Å²	136	138 Å²	138	73%	0.727	74%	0.742	S	S	*	*			cis	-175.4	175.7	29.7	-138.4	-50.6	0	0	0	109.9
220	K	39.2	Very low	31.2	Very low	180 Å²	180	141.7 Å²	141.7	78%	0.783	75%	0.75	S	S	*	*			trans	66	149.3	172.1	-64.8	-169.1	178.4	-177.1	0	117.6
221	L	31.9	Very low	31	Very low	137 Å²	137	140.2 Å²	140.2	72%	0.717	74%	0.744	S	S	*	*			cis	-170.1	165.7	-30.2	-115.4	173.7	0	0	0	104.9
222	T	35.6	Very low	31.6	Very low	115 Å²	115	140.6 Å²	140.6	71%	0.706	74%	0.744	S	S	*	*			trans	43	109.4	162.4	50.5	0	0	0	0	117.1
223	D	32.8	Very low	31.5	Very low	147 Å²	147	136.3 Å²	136.3	79%	0.786	74%	0.737	S	S	*	*			cis	-136.7	145.8	49.7	-105.8	-14.4	0	0	0	116
224	R	27.3	Very low	31.3	Very low	224 Å²	224	132.9 Å²	132.9	85%	0.845	73%	0.731	S	S	*	*			trans	-84.4	176	143.1	-74.7	175.4	167.2	158.6	-6.6	107.2
225	N	30.1	Very low	30.7	Very low	132 Å²	132	133.7 Å²	133.7	71%	0.706	74%	0.739	S	S	*	*			trans	95	109.8	-170.9	-47.7	-14.4	0	0	0	109.8
226	D	33.7	Very low	30.6	Very low	148 Å²	148	133.9 Å²	133.9	79%	0.791	74%	0.74	S	S	*	*			cis	-142.8	156.7	5.8	-77.5	-52	0	0	0	113.9
227	A	36.3	Very low	30.5	Very low	74 Å²	74	137.3 Å²	137.3	61%	0.612	75%	0.747	S	S	*	*			trans	53.5	101	143.3	0	0	0	0	0	121.7
228	D	31.3	Very low	30.6	Very low	148 Å²	148	133.9 Å²	133.9	79%	0.791	73%	0.732	S	S	*	*				71.9	154	103.9	-51.6	-24.3	0	0	0	124.2
229	D	31.7	Very low	30.5	Very low	140 Å²	140	134.7 Å²	134.7	75%	0.749	73%	0.725	S	S	*	*			trans	61.3	85.3	148.3	-65.8	-2.8	0	0	0	121.8
230	F	27.3	Very low	30.2	Very low	186 Å²	186	135 Å²	135	82%	0.816	72%	0.722	S	S	*	*				-0.9	119.8	102.6	-132	-83.9	0	0	0	117
231	D	28.1	Very low	29.6	Very low	129 Å²	129	131.1 Å²	131.1	69%	0.69	71%	0.71	S	S	*	*			trans	62.3	173.9	156.9	-89.3	-20.4	0	0	0	118.4
232	P	38.5	Very low	29.7	Very low	94 Å²	94	130.5 Å²	130.5	61%	0.61	71%	0.707	S	S	*	*			cis	-133.4	-177	-35.6	34.3	-17.2	0	0	0	113.6
233	N	23.4	Very low	29.7	Very low	139 Å²	139	133.3 Å²	133.3	74%	0.743	71%	0.713	S	S	*	*			trans	61.7	118.6	144.1	-86.6	-23.5	0	0	0	122.3
234	C	22.6	Very low	29.9	Very low	107 Å²	107	129.9 Å²	129.9	72%	0.723	71%	0.712	S	S	*	*				64.2	155.7	126.5	-66.6	0	0	0	0	122.1
235	S	23.8	Very low	30.1	Very low	108 Å²	108	129.6 Å²	129.6	76%	0.755	71%	0.711	S	S	*	*			trans	75.2	129.9	-179	-32.6	0	0	0	0	112.7
236	N	25.1	Very low	30	Very low	156 Å²	156	128.4 Å²	128.4	83%	0.834	71%	0.708	S	S	*	*			cis	65.8	149.2	45.7	-65.1	-15	0	0	0	113.4
237	V	27.1	Very low	29.8	Very low	140 Å²	140	132.4 Å²	132.4	85%	0.848	71%	0.712	S	S	*	*			trans	75.5	119.9	-165	-177	0	0	0	0	111.1
238	T	31.9	Very low	29.2	Very low	78 Å²	78	134.2 Å²	134.2	48%	0.479	72%	0.721	S	S	.	*			cis	-156.7	122.6	-6.6	-107.1	0	0	0	0	107.4
239	E	27.2	Very low	28.9	Very low	110 Å²	110	134 Å²	134	51%	0.514	72%	0.719	S	S	.	*				50	108.1	106.2	-48	158.7	120.7	0	0	114.5
240	Q	29	Very low	28.6	Very low	144 Å²	144	135.6 Å²	135.6	67%	0.673	72%	0.722	S	S	*	*			trans	-174	105.3	159.4	-106.7	145.6	103.7	0	0	112.8	T1302	Q240-T1302 CarbonylContact C-O 3.47Å
241	N	27.9	Very low	28.5	Very low	97 Å²	97	130.8 Å²	130.8	52%	0.519	72%	0.716	S	S	.	*			trans	-149.3	-170.6	167.1	-65.4	-93.2	0	0	0	106	T1302 D1303	N241-T1302 WeakPolarHBondContact CA-O 3.4Å; N241-T1302 VanDerWaalsContact CB-O 3.31Å; N241-T1302 WeakPolarHBondContact CB-O 2.81Å; N241-T1302 PolarHBondContact N-O 2.81Å; N241-T1302 WeakPolarHBondContact O-CB 3.46Å; N241-T1302 PolarHBondContact O-N 3.32Å; N241-T1302 VanDerWaalsContact O-N 3.13Å; N241-T1302 PolarHBondContact O-OG1 2.91Å; N241-D1303 PolarHBondContact ND2-O 2.86Å
242	D	33.3	Very low	28.3	Very low	124 Å²	124	132.2 Å²	132.2	66%	0.663	72%	0.724	S	S	*	*			trans	-142.9	162.2	155.2	-141.2	-4.5	0	0	0	114.5	T1302	D242-T1302 PolarHBondContact OD1-OG1 3.45Å
243	E	35.6	Very low	27.6	Very low	175 Å²	175	133.2 Å²	133.2	82%	0.818	73%	0.728	S	S	*	*			trans	-4.5	143	-175.8	-48.8	-155.8	121.4	0	0	122.5
244	G	37.1	Very low	27.7	Very low	74 Å²	74	132.9 Å²	132.9	76%	0.763	73%	0.727	S	S	*	*			trans	-179.7	-27.6	170.4	0	0	0	0	0	118.4
245	R	30.9	Very low	28.1	Very low	219 Å²	219	135.2 Å²	135.2	83%	0.826	73%	0.73	S	S	*	*			trans	62.4	86.8	154.9	-160.4	165.4	-173.4	151.4	4.2	121.8
246	T	27.4	Very low	28.2	Very low	107 Å²	107	134.1 Å²	134.1	66%	0.656	72%	0.722	S	S	*	*			trans	77.7	159.4	131.2	67.2	0	0	0	0	123.6
247	R	30.5	Very low	28.5	Very low	231 Å²	231	132.2 Å²	132.2	87%	0.872	71%	0.712	S	S	*	*			trans	73.5	105.9	175.7	-54.4	-175	-173.6	-165.6	0.1	113.5
248	S	23.9	Very low	28.6	Very low	113 Å²	113	133.3 Å²	133.3	79%	0.79	71%	0.71	S	S	*	*			cis	63.8	149.7	25.5	-157.5	0	0	0	0	115.3
249	L	24.8	Very low	28.5	Very low	143 Å²	143	130.8 Å²	130.8	75%	0.749	70%	0.699	S	S	*	*			trans	71.1	117.4	-176.7	-64.5	165.9	0	0	0	117.7
250	E	25.1	Very low	28.8	Very low	174 Å²	174	128.9 Å²	128.9	81%	0.813	70%	0.702	S	S	*	*				23.1	97	118.4	-56	-170.7	136	0	0	118.1
251	A	25	Very low	29.5	Very low	84 Å²	84	125 Å²	125	69%	0.694	69%	0.689	S	S	*	*			trans	-122.4	127.1	144.3	0	0	0	0	0	106.7
252	N	24.9	Very low	30.7	Very low	160 Å²	160	124 Å²	124	86%	0.856	68%	0.683	S	S	*	*			cis	56.9	41.9	18.7	-95.3	-4.9	0	0	0	114.4
253	T	23.9	Very low	32.2	Very low	115 Å²	115	119.7 Å²	119.7	71%	0.706	66%	0.66	S	S	*	*	S	Bend	trans	-141.5	107.6	135.7	21.2	0	0	0	0	110.6
254	N	25.1	Very low	33.7	Very low	132 Å²	132	119.3 Å²	119.3	71%	0.706	66%	0.656	S	S	*	*			trans	54.8	75.5	158.1	-64.8	-48.3	0	0	0	119.3	S256	N254-S256 WeakPolarHBondContact CB-OG 3.29Å; N254-S256 PolarHBondContact OD1-OG 2.95Å
255	I	30.7	Very low	35.2	Very low	156 Å²	156	123.5 Å²	123.5	80%	0.8	66%	0.655	S	S	*	*			trans	-98.7	44.6	137.2	-46.6	-173.5	0	0	0	109.8	N257	I255-N257 PolarHBondContact O-N 3.28Å
256	S	25.5	Very low	37.4	Very low	84 Å²	84	113.8 Å²	113.8	59%	0.587	62%	0.62	S	S	*	*			trans	-72.6	40.1	165	44	0	0	0	0	111.6	N254	N254-S256 WeakPolarHBondContact CB-OG 3.29Å; N254-S256 PolarHBondContact OD1-OG 2.95Å
257	N	31.5	Very low	40.1	Very low	117 Å²	117	110 Å²	110	63%	0.626	60%	0.597	S	S	*	*			trans	-162.7	63.1	179.4	-110.4	-56.2	0	0	0	114.1	I255 G259	I255-N257 PolarHBondContact O-N 3.28Å; N257-G259 PolarHBondContact O-N 3.48Å
258	M	29.8	Very low	42.5	Very low	163 Å²	163	101.7 Å²	101.7	80%	0.803	58%	0.577	S	S	*	*			trans	-74.6	59.3	169.3	-120.8	-59.1	172.2	0	0	111.8
259	G	29.8	Very low	45.4	Very low	24 Å²	24	98.2 Å²	98.2	25%	0.247	55%	0.553	C	S	.	*			trans	-142.3	12.2	-169.3	0	0	0	0	0	115.9	N257 T411	N257-G259 PolarHBondContact O-N 3.48Å; G259-T411 WeakPolarHBondContact O-CB 3.3Å; G259-T411 WeakPolarHBondContact O-CG2 3.37Å; G259-T411 PolarHBondContact O-N 3.5Å; G259-T411 PolarHBondContact O-OG1 3.24Å
260	A	34.2	Very low	48.6	Very low	70 Å²	70	91.4 Å²	91.4	58%	0.579	52%	0.517	S	S	*	.	S	Bend	trans	-129.4	-2.3	-171.4	0	0	0	0	0	115.4
261	T	43.3	Very low	51.6	Low	64 Å²	64	83.2 Å²	83.2	39%	0.393	48%	0.479	S	S	.	.	S	Bend	trans	-97.7	-36.1	-166.8	35.3	0	0	0	0	115.2	L263 K264	T261-L263 PolarHBondContact O-N 2.8Å; T261-L263 VanDerWaalsContact O-N 3.09Å; T261-K264 WeakPolarHBondContact O-CB 3.4Å; T261-K264 PolarHBondContact O-N 3.5Å
262	D	53.6	Low	54.5	Low	76 Å²	76	85 Å²	85	41%	0.406	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-51.7	-38.1	-175.5	-81.8	-34.5	0	0	0	114.4	K264 H265 L320 S322	D262-K264 PolarHBondContact O-N 2.97Å; D262-K264 VanDerWaalsContact O-N 3.16Å; D262-H265 PolarHBondContact O-N 3.43Å; D262-L320 HydrophobicContact CB-CD1 4.46Å; D262-L320 HydrophobicContact CB-CD2 4.25Å; D262-S322 VanDerWaalsContact OD2-CB 3.22Å; D262-S322 WeakPolarHBondContact OD2-CB 3.33Å; D262-S322 PolarHBondContact OD2-OG 3.3Å
263	L	63.8	Low	57.7	Low	33 Å²	33	79 Å²	79	17%	0.173	44%	0.436	C	S	.	.	G	3₁₀ helix	trans	-69.1	-11.8	-176.8	-75.6	82.1	0	0	0	113.6	T261 L274 L320	T261-L263 PolarHBondContact O-N 2.8Å; T261-L263 VanDerWaalsContact O-N 3.09Å; L263-L274 HydrophobicContact CD2-CD1 4.35Å; L263-L274 HydrophobicContact CG-CD1 4.35Å; L263-L320 HydrophobicContact CD1-CD1 4.3Å; L263-L320 HydrophobicContact CD1-CD2 3.71Å; L263-L320 HydrophobicContact CG-CD2 4.2Å
264	K	66.7	Low	61	Low	167 Å²	167	73.8 Å²	73.8	73%	0.726	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-75.6	-29.1	176.1	-66.3	-173.9	178.8	-178.7	0	113.2	T261 D262	T261-K264 WeakPolarHBondContact O-CB 3.4Å; T261-K264 PolarHBondContact O-N 3.5Å; D262-K264 PolarHBondContact O-N 2.97Å; D262-K264 VanDerWaalsContact O-N 3.16Å
265	H	68.2	Low	64.3	Low	161 Å²	161	67.6 Å²	67.6	75%	0.745	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	-1.3	-176.5	-61.9	-75.4	0	0	0	113.4	D262	D262-H265 PolarHBondContact O-N 3.43Å
266	L	77.7	Confident	67.2	Low	16 Å²	16	62.4 Å²	62.4	8%	0.084	34%	0.342	C	S	.	.	S	Bend	trans	-84.1	136.2	176.7	-85.4	172.4	0	0	0	112	A268 Y270 C271 L274 L320 P321 L332	L266-A268 PolarHBondContact O-N 2.86Å; L266-Y270 HydrophobicContact CD1-CD1 4.01Å; L266-Y270 HydrophobicContact CD1-CE1 4.25Å; L266-Y270 HydrophobicContact CD2-CD1 3.76Å; L266-Y270 HydrophobicContact CD2-CD2 3.94Å; L266-Y270 HydrophobicContact CD2-CE1 4.07Å; L266-Y270 HydrophobicContact CD2-CE2 4.22Å; L266-Y270 HydrophobicContact CD2-CG 3.72Å; L266-Y270 HydrophobicContact CG-CD1 4.43Å; L266-C271 VanDerWaalsContact CB-SG 3.52Å; L266-L274 HydrophobicContact CD1-CD1 4.03Å; L266-L320 HydrophobicContact CD1-CD2 3.59Å; L266-P321 HydrophobicContact CD2-CG 3.75Å; L266-L332 HydrophobicContact CD2-CD1 4.1Å
267	P	83.4	Confident	70.6	Confident	28 Å²	28	58.7 Å²	58.7	18%	0.182	32%	0.315	C	S	.	.			trans	-54	139.7	173.1	-27.2	35.1	0	0	0	112.2	S269 Y270 C271 L332 I335	P267-S269 PolarHBondContact O-N 2.97Å; P267-Y270 WeakPolarHBondContact O-CA 3.45Å; P267-Y270 WeakPolarHBondContact O-CB 3.23Å; P267-Y270 PolarHBondContact O-N 2.82Å; P267-C271 PolarHBondContact O-N 3.04Å; P267-C271 VanDerWaalsContact O-N 3.07Å; P267-L332 HydrophobicContact CG-CD2 4.17Å; P267-I335 HydrophobicContact CG-CG2 4.5Å
268	A	82.1	Confident	73.6	Confident	56 Å²	56	53.2 Å²	53.2	46%	0.463	29%	0.286	S	S	.	.	H	α-helix	trans	-57.2	-27.5	-177.3	0	0	0	0	0	113.4	L266 R272	L266-A268 PolarHBondContact O-N 2.86Å; A268-R272 WeakPolarHBondContact O-CB 3.22Å; A268-R272 WeakPolarHBondContact O-CG 3.46Å; A268-R272 PolarHBondContact O-N 2.91Å
269	S	83.9	Confident	76.8	Confident	39 Å²	39	45.8 Å²	45.8	27%	0.273	25%	0.249	S	C	.	.	H	α-helix	trans	-66.6	-39.8	172	57.4	0	0	0	0	113.1	P267 R272 L273 Y342	P267-S269 PolarHBondContact O-N 2.97Å; S269-R272 PolarHBondContact O-N 3.19Å; S269-L273 PolarHBondContact O-N 3.37Å; S269-Y342 WeakPolarHBondContact CB-OH 3.37Å; S269-Y342 WeakPolarHBondContact OG-CE2 3.39Å; S269-Y342 PolarHBondContact OG-OH 3.36Å
270	Y	92.1	Very high	79.9	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-63.8	-49.4	172.6	-157.9	-65.4	0	0	0	110.1	L266 P267 R272 L273 L274 V318 V319 L329 L344 L345	L266-Y270 HydrophobicContact CD1-CD1 4.01Å; L266-Y270 HydrophobicContact CD1-CE1 4.25Å; L266-Y270 HydrophobicContact CD2-CD1 3.76Å; L266-Y270 HydrophobicContact CD2-CD2 3.94Å; L266-Y270 HydrophobicContact CD2-CE1 4.07Å; L266-Y270 HydrophobicContact CD2-CE2 4.22Å; L266-Y270 HydrophobicContact CD2-CG 3.72Å; L266-Y270 HydrophobicContact CG-CD1 4.43Å; P267-Y270 WeakPolarHBondContact O-CA 3.45Å; P267-Y270 WeakPolarHBondContact O-CB 3.23Å; P267-Y270 PolarHBondContact O-N 2.82Å; Y270-R272 VanDerWaalsContact C-N 3.28Å; Y270-R272 PolarHBondContact O-N 3.08Å; Y270-L273 CarbonylContact O-C 3.56Å; Y270-L273 PolarHBondContact O-N 2.79Å; Y270-L274 HydrophobicContact CD1-CD1 4.25Å; Y270-L274 HydrophobicContact CD1-CG 4.32Å; Y270-L274 HydrophobicContact CE1-CG 4.35Å; Y270-L274 PolarHBondContact O-N 2.86Å; Y270-V318 HydrophobicContact CE1-CG1 4.23Å; Y270-V319 VanDerWaalsContact CE1-O 3.25Å; Y270-V319 WeakPolarHBondContact CE1-O 3.33Å; Y270-V319 PolarHBondContact OH-O 3.45Å; Y270-L329 HydrophobicContact CE2-CD1 4.21Å; Y270-L344 HydrophobicContact CD2-CD2 3.53Å; Y270-L344 HydrophobicContact CE2-CD2 3.8Å; Y270-L344 HydrophobicContact CG-CD2 4Å; Y270-L345 VanDerWaalsContact OH-CB 3.29Å; Y270-L345 WeakPolarHBondContact OH-CB 3.39Å; Y270-L345 PolarHBondContact OH-N 3.42Å
271	C	87.5	Confident	82.7	Confident	3 Å²	3	43.5 Å²	43.5	2%	0.02	22%	0.222	C	C	.	.	H	α-helix	trans	-61.6	-32.7	175.9	-66.4	0	0	0	0	113	L266 P267 L273	L266-C271 VanDerWaalsContact CB-SG 3.52Å; P267-C271 PolarHBondContact O-N 3.04Å; P267-C271 VanDerWaalsContact O-N 3.07Å; C271-L273 VanDerWaalsContact C-N 3.31Å; C271-L273 PolarHBondContact O-N 2.85Å
272	R	87.9	Confident	84.9	Confident	121 Å²	121	42 Å²	42	46%	0.457	21%	0.211	S	C	.	.	H	α-helix	trans	-66.8	-28	171.5	-79.5	168.1	172.1	-163.7	-3.8	112.8	A268 S269 Y270 R276 R418 A425	A268-R272 WeakPolarHBondContact O-CB 3.22Å; A268-R272 WeakPolarHBondContact O-CG 3.46Å; A268-R272 PolarHBondContact O-N 2.91Å; S269-R272 PolarHBondContact O-N 3.19Å; Y270-R272 VanDerWaalsContact C-N 3.28Å; Y270-R272 PolarHBondContact O-N 3.08Å; R272-R276 PolarHBondContact O-NH1 3.46Å; R272-R418 PolarHBondContact O-NH2 3.34Å; R272-A425 VanDerWaalsContact NH2-CB 3.31Å; R272-A425 PolarHBondContact NH2-O 3.46Å; R272-A425 VanDerWaalsContact NH2-O 3.08Å
273	L	92.1	Very high	86.2	Confident	35 Å²	35	40.8 Å²	40.8	18%	0.183	21%	0.207	C	C	.	.	H	α-helix	trans	-96.1	-29.4	-179.6	-71.1	176.8	0	0	0	114.8	S269 Y270 C271 G275 R276 V318 L344 R418	S269-L273 PolarHBondContact O-N 3.37Å; Y270-L273 CarbonylContact O-C 3.56Å; Y270-L273 PolarHBondContact O-N 2.79Å; C271-L273 VanDerWaalsContact C-N 3.31Å; C271-L273 PolarHBondContact O-N 2.85Å; L273-G275 PolarHBondContact O-N 3.1Å; L273-R276 WeakPolarHBondContact O-CB 3.33Å; L273-R276 VanDerWaalsContact O-CG 3.24Å; L273-R276 WeakPolarHBondContact O-CG 3.49Å; L273-R276 PolarHBondContact O-N 3.07Å; L273-V318 HydrophobicContact CB-CG1 4.35Å; L273-V318 HydrophobicContact CB-CG2 4.46Å; L273-L344 HydrophobicContact CD1-CD1 3.65Å; L273-L344 HydrophobicContact CD1-CD2 4.41Å; L273-R418 PolarHBondContact O-NH2 2.77Å
274	L	92.6	Very high	86.6	Confident	4 Å²	4	42.8 Å²	42.8	2%	0.021	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-35.3	130.7	176.1	-120.7	158.3	0	0	0	114	L263 L266 Y270 R276 L320 L409 W414 R418	L263-L274 HydrophobicContact CD2-CD1 4.35Å; L263-L274 HydrophobicContact CG-CD1 4.35Å; L266-L274 HydrophobicContact CD1-CD1 4.03Å; Y270-L274 HydrophobicContact CD1-CD1 4.25Å; Y270-L274 HydrophobicContact CD1-CG 4.32Å; Y270-L274 HydrophobicContact CE1-CG 4.35Å; Y270-L274 PolarHBondContact O-N 2.86Å; L274-R276 PolarHBondContact O-N 3.2Å; L274-L320 HydrophobicContact CD1-CD2 3.8Å; L274-L320 HydrophobicContact CD2-CD2 4.19Å; L274-L320 HydrophobicContact CD2-CG 4.22Å; L274-L409 HydrophobicContact CD2-CD2 3.75Å; L274-W414 WeakPolarHBondContact O-CZ3 3.4Å; L274-R418 PolarHBondContact O-NH1 3.14Å; L274-R418 PolarHBondContact O-NH2 2.95Å
275	G	93.2	Very high	86	Confident	3 Å²	3	40.7 Å²	40.7	3%	0.031	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	17.5	-177.7	0	0	0	0	0	115.5	L273 V318 W390	L273-G275 PolarHBondContact O-N 3.1Å; G275-V318 WeakPolarHBondContact CA-O 3.44Å; G275-V318 PolarHBondContact N-O 3.44Å; G275-W390 PolarHBondContact O-NE1 3.14Å
276	R	93.2	Very high	84.6	Confident	47 Å²	47	35.7 Å²	35.7	18%	0.177	21%	0.211	C	C	.	.			trans	-88.3	144	166.9	-73	-104.4	168.9	68.5	3.5	110.7	R272 L273 L274 V278 V317 V318	R272-R276 PolarHBondContact O-NH1 3.46Å; L273-R276 WeakPolarHBondContact O-CB 3.33Å; L273-R276 VanDerWaalsContact O-CG 3.24Å; L273-R276 WeakPolarHBondContact O-CG 3.49Å; L273-R276 PolarHBondContact O-N 3.07Å; L274-R276 PolarHBondContact O-N 3.2Å; R276-V278 HydrophobicContact CB-CG1 4.49Å; R276-V317 WeakPolarHBondContact O-CA 3.35Å; R276-V318 PolarHBondContact O-N 2.91Å; R276-V318 VanDerWaalsContact O-N 3.13Å
277	L	95.6	Very high	82.8	Confident	6 Å²	6	43.3 Å²	43.3	3%	0.031	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	136.2	159.9	-168.6	69.1	0	0	0	110.2	A316 F349 L365 A387 L391	L277-A316 WeakPolarHBondContact CD1-O 3.33Å; L277-F349 HydrophobicContact CD1-CD2 3.93Å; L277-F349 HydrophobicContact CD1-CE2 3.43Å; L277-F349 VanDerWaalsContact CD1-CE2 3.43Å; L277-F349 HydrophobicContact CD1-CZ 4.23Å; L277-L365 HydrophobicContact CD2-CB 4.3Å; L277-L365 HydrophobicContact CD2-CD2 3.7Å; L277-L365 HydrophobicContact CD2-CG 4.12Å; L277-L365 HydrophobicContact CG-CB 4.21Å; L277-L365 HydrophobicContact CG-CD2 4.01Å; L277-L365 HydrophobicContact CG-CG 4.48Å; L277-L365 PolarHBondContact O-N 3Å; L277-A387 HydrophobicContact CD1-CB 3.55Å; L277-A387 HydrophobicContact CD2-CB 3.89Å; L277-A387 HydrophobicContact CG-CB 4.34Å; L277-L391 HydrophobicContact CB-CG 4.46Å; L277-L391 HydrophobicContact CD2-CD1 3.48Å; L277-L391 VanDerWaalsContact CD2-CD1 3.48Å; L277-L391 HydrophobicContact CD2-CG 3.82Å
278	V	95.7	Very high	80.3	Confident	1 Å²	1	47 Å²	47	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	148.6	-179.7	-65.5	0	0	0	0	109.7	R276 A316 V318 V346 V362 K363	R276-V278 HydrophobicContact CB-CG1 4.49Å; V278-A316 HydrophobicContact CG2-CB 4.44Å; V278-A316 WeakPolarHBondContact CG2-O 3.18Å; V278-A316 PolarHBondContact N-O 2.87Å; V278-A316 PolarHBondContact O-N 2.82Å; V278-A316 VanDerWaalsContact O-O 3.09Å; V278-V318 HydrophobicContact CG1-CG2 4.01Å; V278-V318 HydrophobicContact CG2-CG2 3.96Å; V278-V346 HydrophobicContact CG2-CG1 3.64Å; V278-V362 HydrophobicContact CB-CG1 3.53Å; V278-V362 HydrophobicContact CG1-CG1 3.62Å; V278-V362 HydrophobicContact CG2-CG1 3.72Å; V278-K363 CarbonylContact C-O 3.13Å; V278-K363 WeakPolarHBondContact CA-O 3.38Å
279	M	95.9	Very high	77.8	Confident	7 Å²	7	48 Å²	48	3%	0.034	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	125.8	159.8	-77.1	-57.3	-59.2	0	0	109	F313 T314 P315 V362 K363 L365 L373 F384	M279-F313 HydrophobicContact CE-CD1 3.69Å; M279-F313 HydrophobicContact CE-CD2 3.86Å; M279-F313 HydrophobicContact CE-CE1 3.51Å; M279-F313 HydrophobicContact CE-CE2 3.7Å; M279-F313 HydrophobicContact CE-CG 3.86Å; M279-F313 HydrophobicContact CE-CZ 3.53Å; M279-T314 VanDerWaalsContact CE-C 3.46Å; M279-P315 VanDerWaalsContact SD-CA 3.58Å; M279-P315 HydrophobicContact SD-CB 3.87Å; M279-V362 WeakPolarHBondContact O-CA 3.4Å; M279-K363 HydrophobicContact CB-CB 4.45Å; M279-K363 PolarHBondContact N-O 2.79Å; M279-K363 PolarHBondContact O-N 3.35Å; M279-L365 HydrophobicContact CG-CB 4.28Å; M279-L365 HydrophobicContact CG-CD1 3.82Å; M279-L365 HydrophobicContact CG-CD2 3.93Å; M279-L365 HydrophobicContact CG-CG 4.24Å; M279-L365 HydrophobicContact SD-CD2 3.92Å; M279-L373 HydrophobicContact CG-CD1 4.02Å; M279-L373 HydrophobicContact SD-CD1 4.39Å; M279-F384 HydrophobicContact CE-CE1 4.47Å; M279-F384 HydrophobicContact CE-CZ 4.04Å; M279-F384 HydrophobicContact SD-CE1 3.51Å; M279-F384 VanDerWaalsContact SD-CE1 3.51Å; M279-F384 HydrophobicContact SD-CZ 3.69Å
280	V	95.1	Very high	75.1	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	124.5	158.7	178.3	0	0	0	0	106.6	M282 R312 F313 T314 A316 V346 V357	V280-M282 HydrophobicContact CG1-CB 3.78Å; V280-R312 CarbonylContact C-O 2.83Å; V280-F313 WeakPolarHBondContact O-CA 3.06Å; V280-T314 PolarHBondContact N-O 3.22Å; V280-T314 PolarHBondContact O-N 3.14Å; V280-A316 HydrophobicContact CG2-CB 3.98Å; V280-V346 HydrophobicContact CG2-CG1 4.45Å; V280-V357 HydrophobicContact CG1-CG1 3.95Å; V280-V357 HydrophobicContact CG1-CG2 4.06Å; V280-V357 HydrophobicContact CG2-CG1 4.42Å; V280-V357 HydrophobicContact CG2-CG2 4Å
281	D	93.7	Very high	72	Confident	46 Å²	46	60 Å²	60	25%	0.246	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	71.3	164.8	-175.8	33.3	0	0	0	109.4	R311 F313 F361	D281-R311 WeakPolarHBondContact OD1-CB 3.37Å; D281-R311 WeakPolarHBondContact OD1-CD 3.48Å; D281-R311 IonicContact OD1-NH1 3.91Å; D281-R311 IonicContact OD2-CZ 2.65Å; D281-R311 IonicContact OD2-NH1 3.81Å; D281-R311 PolarHBondContact OD2-NH1 3.13Å; D281-F313 HydrophobicContact CB-CD2 3.83Å; D281-F313 HydrophobicContact CB-CE2 4.25Å; D281-F361 PolarHBondContact N-O 3.39Å; D281-F361 WeakPolarHBondContact O-CD1 3.41Å
282	M	88.4	Confident	69	Low	34 Å²	34	65.7 Å²	65.7	17%	0.167	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	129.3	-175.3	-171.8	175.8	69.2	0	0	109.8	V280 R312 V357 F361	V280-M282 HydrophobicContact CG1-CB 3.78Å; M282-R312 PolarHBondContact N-O 3.4Å; M282-R312 PolarHBondContact O-N 3.47Å; M282-V357 HydrophobicContact SD-CG1 4.08Å; M282-F361 HydrophobicContact CB-CB 3.98Å; M282-F361 HydrophobicContact CB-CG 4.18Å; M282-F361 HydrophobicContact CG-CB 4.28Å; M282-F361 HydrophobicContact CG-CD2 4.01Å; M282-F361 HydrophobicContact CG-CG 4.05Å
283	P	81.1	Confident	66.4	Low	50 Å²	50	65.5 Å²	65.5	33%	0.325	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	141.5	175.9	25.2	-33.7	0	0	0	111.1	T285 F361	P283-T285 VanDerWaalsContact C-N 3.31Å; P283-T285 PolarHBondContact O-N 2.92Å; P283-F361 VanDerWaalsContact CD-CE1 3.43Å; P283-F361 HydrophobicContact CG-CE1 4.05Å; P283-F361 HydrophobicContact CG-CZ 4.25Å
284	L	71.6	Confident	63.4	Low	75 Å²	75	69.5 Å²	69.5	39%	0.393	43%	0.428	S	S	.	.			trans	-78.2	88.6	166.2	-74.5	154.2	0	0	0	108.1	G286 R310 R312	L284-G286 PolarHBondContact O-N 3.09Å; L284-R310 VanDerWaalsContact CB-O 3.22Å; L284-R310 WeakPolarHBondContact CB-O 3.31Å; L284-R310 HydrophobicContact CD1-CB 3.72Å; L284-R310 PolarHBondContact N-O 2.9Å; L284-R312 HydrophobicContact CD1-CG 4.25Å; L284-R312 HydrophobicContact CD2-CG 3.53Å; L284-R312 VanDerWaalsContact CD2-NE 3.32Å; L284-R312 HydrophobicContact CG-CG 3.71Å
285	T	55.8	Low	60.5	Low	122 Å²	122	79.1 Å²	79.1	75%	0.748	47%	0.465	S	S	*	.			trans	-57.6	126.1	162.9	44.9	0	0	0	0	108.9	P283	P283-T285 VanDerWaalsContact C-N 3.31Å; P283-T285 PolarHBondContact O-N 2.92Å
286	G	39.1	Very low	57.3	Low	57 Å²	57	82.5 Å²	82.5	59%	0.588	50%	0.5	S	S	*	.			trans	-56.9	139.7	163.9	0	0	0	0	0	108.5	L284 D288	L284-G286 PolarHBondContact O-N 3.09Å; G286-D288 PolarHBondContact O-N 2.84Å
287	K	38.3	Very low	54.4	Low	175 Å²	175	86.2 Å²	86.2	76%	0.761	53%	0.533	S	S	*	.	S	Bend	trans	-86.4	51.3	-172.3	-159.7	-171	174.9	-178.3	0	111.4
288	D	31.4	Very low	51.1	Low	106 Å²	106	91.4 Å²	91.4	57%	0.567	57%	0.57	S	S	*	*			trans	-136.1	116.4	-175.9	-45.9	-66.5	0	0	0	106.6	G286 K680	G286-D288 PolarHBondContact O-N 2.84Å; D288-K680 IonicContact OD1-NZ 3.6Å; D288-K680 PolarHBondContact OD1-NZ 3.1Å
289	G	30.7	Very low	48	Very low	78 Å²	78	97.6 Å²	97.6	80%	0.804	61%	0.608	S	S	*	*			trans	93.7	99.4	-177.1	0	0	0	0	0	115.9	G291	G289-G291 VanDerWaalsContact C-N 3.29Å; G289-G291 PolarHBondContact O-N 2.85Å
290	F	25.8	Very low	45.5	Very low	229 Å²	229	103 Å²	103	100%	1.004	64%	0.644	S	S	*	*			trans	-87.4	72.6	158	-113.9	-84.6	0	0	0	108.7
291	G	26.5	Very low	42.2	Very low	61 Å²	61	107.6 Å²	107.6	63%	0.629	68%	0.681	S	S	*	*			trans	-110.9	129.8	170.3	0	0	0	0	0	109.7	G289 P293	G289-G291 VanDerWaalsContact C-N 3.29Å; G289-G291 PolarHBondContact O-N 2.85Å; G291-P293 WeakPolarHBondContact O-CD 3.12Å
292	S	26.4	Very low	39.2	Very low	122 Å²	122	111.7 Å²	111.7	85%	0.853	71%	0.712	S	S	*	*			trans	-67.1	123.5	-177.7	-60.9	0	0	0	0	111.5	S294	S292-S294 PolarHBondContact O-N 3Å; S292-S294 VanDerWaalsContact O-N 3.17Å
293	P	32.4	Very low	36.3	Very low	117 Å²	117	120.3 Å²	120.3	76%	0.76	75%	0.749	S	S	*	*			trans	-74	108.2	173.8	29.3	-32.4	0	0	0	110.1	G291	G291-P293 WeakPolarHBondContact O-CD 3.12Å
294	S	28.8	Very low	33.9	Very low	119 Å²	119	123.7 Å²	123.7	83%	0.832	77%	0.774	S	S	*	*			trans	-69.5	136.3	165.7	-171.1	0	0	0	0	109.8	S292 G296	S292-S294 PolarHBondContact O-N 3Å; S292-S294 VanDerWaalsContact O-N 3.17Å; S294-G296 PolarHBondContact O-N 3.49Å
295	Y	31.4	Very low	31.9	Very low	206 Å²	206	126.3 Å²	126.3	81%	0.808	80%	0.798	S	S	*	*			trans	-85.4	99.4	-179.3	-99.5	-88.9	0	0	0	110.9
296	G	27.3	Very low	30.6	Very low	74 Å²	74	124.1 Å²	124.1	76%	0.763	80%	0.8	S	S	*	*			trans	-100.2	130.2	162.4	0	0	0	0	0	110.5	S294	S294-G296 PolarHBondContact O-N 3.49Å
297	S	30.8	Very low	30.3	Very low	126 Å²	126	128 Å²	128	88%	0.881	81%	0.812	S	S	*	*			trans	-106.8	107.8	-173.4	170.9	0	0	0	0	112.6
298	S	27.1	Very low	30.3	Very low	114 Å²	114	125.7 Å²	125.7	80%	0.797	81%	0.813	S	S	*	*			trans	-156.5	146.5	151.2	62.8	0	0	0	0	111.5
299	T	31.2	Very low	30.8	Very low	132 Å²	132	125.2 Å²	125.2	81%	0.81	82%	0.815	S	S	*	*			trans	-160.8	157.4	179.5	50.7	0	0	0	0	109.6
300	P	43	Very low	32	Very low	120 Å²	120	131.8 Å²	131.8	78%	0.779	82%	0.816	S	S	*	*			cis	-139.6	153.8	-31.8	36.7	-21.1	0	0	0	113.6
301	A	26.3	Very low	34.2	Very low	96 Å²	96	127.6 Å²	127.6	79%	0.793	79%	0.793	S	S	*	*			trans	-154.2	99.5	162.5	0	0	0	0	0	113.3
302	C	29.1	Very low	36.7	Very low	132 Å²	132	129 Å²	129	89%	0.892	78%	0.78	S	S	*	*			trans	-170.6	139	142.9	-102	0	0	0	0	110.4
303	K	27.4	Very low	39.9	Very low	216 Å²	216	125.5 Å²	125.5	94%	0.939	75%	0.749	S	S	*	*			trans	-102.4	118	168.5	-66.8	177.8	-178.7	176.3	0	108.2
304	S	31.9	Very low	42.8	Very low	121 Å²	121	120.3 Å²	120.3	85%	0.846	72%	0.715	S	S	*	*			trans	-142.2	132.1	162.7	56.2	0	0	0	0	110
305	S	29.3	Very low	46.1	Very low	130 Å²	130	114.7 Å²	114.7	91%	0.909	68%	0.676	S	S	*	*			trans	-84.4	141.1	179.9	48.1	0	0	0	0	111
306	G	28.4	Very low	49.2	Very low	76 Å²	76	104.9 Å²	104.9	78%	0.784	64%	0.637	S	S	*	*	S	Bend	trans	156.1	-39.2	156.8	0	0	0	0	0	118.1
307	V	33.6	Very low	52.5	Low	139 Å²	139	101.3 Å²	101.3	84%	0.842	60%	0.601	S	S	*	*			trans	-139.6	104.9	-175.6	-171.1	0	0	0	0	112.2
308	T	37.5	Very low	55.6	Low	126 Å²	126	95.3 Å²	95.3	77%	0.773	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-73	124.4	165.4	53.6	0	0	0	0	109.8	R310	T308-R310 PolarHBondContact O-N 3.28Å
309	P	42.3	Very low	58.9	Low	96 Å²	96	89.9 Å²	89.9	62%	0.623	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-61.7	129.1	174.3	25.7	-33.4	0	0	0	109.5	R311	P309-R311 PolarHBondContact O-N 3.02Å; P309-R311 VanDerWaalsContact O-N 3.12Å
310	R	55.5	Low	61.9	Low	215 Å²	215	83.8 Å²	83.8	81%	0.811	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-54.7	119.8	-178	-76.9	-177.2	161.1	-176	-3.8	109.9	L284 T308	L284-R310 VanDerWaalsContact CB-O 3.22Å; L284-R310 WeakPolarHBondContact CB-O 3.31Å; L284-R310 HydrophobicContact CD1-CB 3.72Å; L284-R310 PolarHBondContact N-O 2.9Å; T308-R310 PolarHBondContact O-N 3.28Å
311	R	71.9	Confident	64.3	Low	141 Å²	141	79.4 Å²	79.4	53%	0.532	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	149.1	171.8	-59.6	-164.9	177.7	-176.2	-2.7	111.2	D281 P309 F313	D281-R311 WeakPolarHBondContact OD1-CB 3.37Å; D281-R311 WeakPolarHBondContact OD1-CD 3.48Å; D281-R311 IonicContact OD1-NH1 3.91Å; D281-R311 IonicContact OD2-CZ 2.65Å; D281-R311 IonicContact OD2-NH1 3.81Å; D281-R311 PolarHBondContact OD2-NH1 3.13Å; P309-R311 PolarHBondContact O-N 3.02Å; P309-R311 VanDerWaalsContact O-N 3.12Å; R311-F313 PolarHBondContact O-N 2.98Å
312	R	80.1	Confident	67.3	Low	91 Å²	91	77.3 Å²	77.3	34%	0.343	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	76.1	163.1	-64.8	-163.5	-173.3	-96.9	-5.8	109	V280 M282 L284 T314	V280-R312 CarbonylContact C-O 2.83Å; M282-R312 PolarHBondContact N-O 3.4Å; M282-R312 PolarHBondContact O-N 3.47Å; L284-R312 HydrophobicContact CD1-CG 4.25Å; L284-R312 HydrophobicContact CD2-CG 3.53Å; L284-R312 VanDerWaalsContact CD2-NE 3.32Å; L284-R312 HydrophobicContact CG-CG 3.71Å; R312-T314 PolarHBondContact O-N 2.73Å
313	F	92.3	Very high	70.3	Confident	49 Å²	49	71.5 Å²	71.5	22%	0.215	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	103.8	171.8	-164.7	-106.4	0	0	0	109.7	M279 V280 D281 R311 L373 Y377 L380	M279-F313 HydrophobicContact CE-CD1 3.69Å; M279-F313 HydrophobicContact CE-CD2 3.86Å; M279-F313 HydrophobicContact CE-CE1 3.51Å; M279-F313 HydrophobicContact CE-CE2 3.7Å; M279-F313 HydrophobicContact CE-CG 3.86Å; M279-F313 HydrophobicContact CE-CZ 3.53Å; V280-F313 WeakPolarHBondContact O-CA 3.06Å; D281-F313 HydrophobicContact CB-CD2 3.83Å; D281-F313 HydrophobicContact CB-CE2 4.25Å; R311-F313 PolarHBondContact O-N 2.98Å; F313-L373 HydrophobicContact CE1-CD2 4.37Å; F313-L373 HydrophobicContact CZ-CD1 4.33Å; F313-L373 HydrophobicContact CZ-CD2 4Å; F313-Y377 HydrophobicContact CD1-CD2 4.41Å; F313-Y377 HydrophobicContact CD1-CE2 4.37Å; F313-Y377 AromaticContact CE1-CD2 3.64Å; F313-Y377 HydrophobicContact CE1-CD2 3.64Å; F313-Y377 AromaticContact CE1-CE2 3.51Å; F313-Y377 HydrophobicContact CE1-CE2 3.51Å; F313-Y377 HydrophobicContact CE1-CG 4.27Å; F313-Y377 HydrophobicContact CZ-CD2 4.43Å; F313-Y377 AromaticContact CZ-CE2 3.93Å; F313-Y377 HydrophobicContact CZ-CE2 3.93Å; F313-L380 HydrophobicContact CD1-CD1 3.65Å; F313-L380 HydrophobicContact CE1-CD1 4.27Å
314	T	94.6	Very high	73.5	Confident	8 Å²	8	64.1 Å²	64.1	5%	0.049	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	142.8	178.5	84.1	0	0	0	0	113.2	M279 V280 R312 S348 K350	M279-T314 VanDerWaalsContact CE-C 3.46Å; V280-T314 PolarHBondContact N-O 3.22Å; V280-T314 PolarHBondContact O-N 3.14Å; R312-T314 PolarHBondContact O-N 2.73Å; T314-S348 WeakPolarHBondContact CB-OG 3.49Å; T314-S348 PolarHBondContact OG1-OG 3.41Å; T314-K350 HydrophobicContact CG2-CB 4.17Å; T314-K350 HydrophobicContact CG2-CD 3.81Å
315	P	97.1	Very high	76.1	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	138.1	164.4	28.8	-33.1	0	0	0	110.8	M279 F349 L365 A383 F384 A387	M279-P315 VanDerWaalsContact SD-CA 3.58Å; M279-P315 HydrophobicContact SD-CB 3.87Å; P315-F349 HydrophobicContact CG-CB 4.47Å; P315-F349 PolarHBondContact O-N 3.13Å; P315-L365 HydrophobicContact CB-CD2 4.3Å; P315-A383 HydrophobicContact CG-CB 3.87Å; P315-F384 HydrophobicContact CB-CD1 4.07Å; P315-F384 HydrophobicContact CB-CE1 3.99Å; P315-F384 HydrophobicContact CG-CD1 3.97Å; P315-F384 HydrophobicContact CG-CE1 4.01Å; P315-F384 HydrophobicContact CG-CG 4.27Å; P315-F384 HydrophobicContact CG-CZ 4.36Å; P315-A387 HydrophobicContact CB-CB 3.99Å; P315-A387 HydrophobicContact CG-CB 4.47Å
316	A	97	Very high	78.9	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	162.1	-173.8	0	0	0	0	0	112	L277 V278 V280 V346 R347	L277-A316 WeakPolarHBondContact CD1-O 3.33Å; V278-A316 HydrophobicContact CG2-CB 4.44Å; V278-A316 WeakPolarHBondContact CG2-O 3.18Å; V278-A316 PolarHBondContact N-O 2.87Å; V278-A316 PolarHBondContact O-N 2.82Å; V278-A316 VanDerWaalsContact O-O 3.09Å; V280-A316 HydrophobicContact CG2-CB 3.98Å; A316-V346 HydrophobicContact CB-CB 4.33Å; A316-V346 HydrophobicContact CB-CG1 3.46Å; A316-V346 VanDerWaalsContact CB-CG1 3.46Å; A316-R347 CarbonylContact C-O 3.59Å; A316-R347 WeakPolarHBondContact CA-O 3.35Å; A316-R347 WeakPolarHBondContact CB-O 3.31Å
317	V	96.5	Very high	81.7	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	135.8	176.5	62.1	0	0	0	0	111.6	R276 V319 V346 R347 F349 W390 F396 W400 M408	R276-V317 WeakPolarHBondContact O-CA 3.35Å; V317-V319 HydrophobicContact CG1-CG1 4.06Å; V317-V346 VanDerWaalsContact C-CG1 3.48Å; V317-V346 CarbonylContact O-C 3.54Å; V317-V346 VanDerWaalsContact O-CA 3.3Å; V317-V346 WeakPolarHBondContact O-CA 3.34Å; V317-V346 VanDerWaalsContact O-CG1 3.24Å; V317-V346 WeakPolarHBondContact O-CG1 3.48Å; V317-R347 HydrophobicContact CG1-CB 4.39Å; V317-R347 PolarHBondContact N-O 2.94Å; V317-R347 PolarHBondContact O-N 3.18Å; V317-F349 HydrophobicContact CB-CE2 3.91Å; V317-F349 HydrophobicContact CB-CZ 4.27Å; V317-F349 HydrophobicContact CG1-CE2 4.17Å; V317-F349 HydrophobicContact CG1-CZ 4.34Å; V317-W390 HydrophobicContact CG2-CZ2 4.41Å; V317-F396 HydrophobicContact CB-CE1 4.32Å; V317-F396 HydrophobicContact CG1-CE1 3.79Å; V317-F396 HydrophobicContact CG1-CZ 4.1Å; V317-F396 HydrophobicContact CG2-CE1 4.14Å; V317-F396 HydrophobicContact CG2-CZ 4.2Å; V317-W400 HydrophobicContact CG1-CH2 3.87Å; V317-W400 HydrophobicContact CG1-CZ3 3.78Å; V317-M408 HydrophobicContact CG1-CE 4.37Å
318	V	96.1	Very high	84.1	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	130.2	176.7	-177.4	0	0	0	0	110.4	Y270 L273 G275 R276 V278 L344 V346	Y270-V318 HydrophobicContact CE1-CG1 4.23Å; L273-V318 HydrophobicContact CB-CG1 4.35Å; L273-V318 HydrophobicContact CB-CG2 4.46Å; G275-V318 WeakPolarHBondContact CA-O 3.44Å; G275-V318 PolarHBondContact N-O 3.44Å; R276-V318 PolarHBondContact O-N 2.91Å; R276-V318 VanDerWaalsContact O-N 3.13Å; V278-V318 HydrophobicContact CG1-CG2 4.01Å; V278-V318 HydrophobicContact CG2-CG2 3.96Å; V318-L344 HydrophobicContact CG1-CB 4.4Å; V318-L344 HydrophobicContact CG1-CD1 4.44Å; V318-L344 HydrophobicContact CG1-CD2 4.48Å; V318-L344 HydrophobicContact CG2-CD1 4.14Å; V318-V346 HydrophobicContact CG2-CG1 4.25Å
319	V	95.7	Very high	86.4	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.28	C	S	.	.			trans	-132.7	164.1	-168.4	-69.3	0	0	0	0	112.2	Y270 V317 A323 L345 F354 M408 L409	Y270-V319 VanDerWaalsContact CE1-O 3.25Å; Y270-V319 WeakPolarHBondContact CE1-O 3.33Å; Y270-V319 PolarHBondContact OH-O 3.45Å; V317-V319 HydrophobicContact CG1-CG1 4.06Å; V319-A323 HydrophobicContact CB-CB 4.26Å; V319-A323 HydrophobicContact CG2-CB 4.35Å; V319-L345 HydrophobicContact CG2-CB 4.11Å; V319-L345 HydrophobicContact CG2-CD2 3.9Å; V319-L345 HydrophobicContact CG2-CG 3.87Å; V319-L345 WeakPolarHBondContact CG2-O 3.35Å; V319-L345 PolarHBondContact N-O 3.46Å; V319-F354 HydrophobicContact CG2-CD1 4.15Å; V319-F354 HydrophobicContact CG2-CE1 4.11Å; V319-M408 WeakPolarHBondContact CA-O 3.41Å; V319-M408 HydrophobicContact CB-CB 4.2Å; V319-M408 WeakPolarHBondContact CB-O 3.46Å; V319-M408 HydrophobicContact CG1-CB 3.79Å; V319-M408 HydrophobicContact CG1-CE 3.74Å; V319-M408 HydrophobicContact CG1-SD 4.04Å; V319-L409 HydrophobicContact CG1-CD2 4.29Å
320	L	94.6	Very high	88	Confident	3 Å²	3	51.4 Å²	51.4	2%	0.016	27%	0.265	C	S	.	.			trans	-62.3	146.7	175.6	-71.4	176.4	0	0	0	111.9	D262 L263 L266 L274 S322 A323 L345 M408 G410	D262-L320 HydrophobicContact CB-CD1 4.46Å; D262-L320 HydrophobicContact CB-CD2 4.25Å; L263-L320 HydrophobicContact CD1-CD1 4.3Å; L263-L320 HydrophobicContact CD1-CD2 3.71Å; L263-L320 HydrophobicContact CG-CD2 4.2Å; L266-L320 HydrophobicContact CD1-CD2 3.59Å; L274-L320 HydrophobicContact CD1-CD2 3.8Å; L274-L320 HydrophobicContact CD2-CD2 4.19Å; L274-L320 HydrophobicContact CD2-CG 4.22Å; L320-S322 WeakPolarHBondContact CB-OG 3.35Å; L320-S322 PolarHBondContact O-N 2.9Å; L320-A323 WeakPolarHBondContact O-CB 3.21Å; L320-A323 PolarHBondContact O-N 2.95Å; L320-L345 WeakPolarHBondContact O-CD2 3.35Å; L320-M408 PolarHBondContact N-O 3.06Å; L320-G410 VanDerWaalsContact CD1-N 3.3Å
321	P	93.3	Very high	88.3	Confident	29 Å²	29	44.3 Å²	44.3	19%	0.188	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-56.2	-37.5	172.3	-24.1	33.9	0	0	0	113.2	L266 A323 M324 L329 L332	L266-P321 HydrophobicContact CD2-CG 3.75Å; P321-A323 PolarHBondContact O-N 2.84Å; P321-A323 VanDerWaalsContact O-N 3.14Å; P321-M324 CarbonylContact O-C 3.51Å; P321-M324 PolarHBondContact O-N 2.77Å; P321-L329 HydrophobicContact CB-CD1 3.91Å; P321-L329 HydrophobicContact CG-CD1 3.81Å; P321-L332 HydrophobicContact CG-CD1 4.24Å
322	S	89.7	Confident	87.5	Confident	51 Å²	51	40 Å²	40	36%	0.357	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-62.5	-13.4	174.7	47.8	0	0	0	0	114.3	D262 L320 M324 P325	D262-S322 VanDerWaalsContact OD2-CB 3.22Å; D262-S322 WeakPolarHBondContact OD2-CB 3.33Å; D262-S322 PolarHBondContact OD2-OG 3.3Å; L320-S322 WeakPolarHBondContact CB-OG 3.35Å; L320-S322 PolarHBondContact O-N 2.9Å; S322-M324 VanDerWaalsContact C-N 3.25Å; S322-M324 PolarHBondContact O-N 2.91Å; S322-P325 WeakPolarHBondContact O-CD 3.46Å
323	A	92.3	Very high	85.9	Confident	11 Å²	11	40.1 Å²	40.1	9%	0.091	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-70.2	-21	170.3	0	0	0	0	0	113	V319 L320 P321 L345 F354 M408	V319-A323 HydrophobicContact CB-CB 4.26Å; V319-A323 HydrophobicContact CG2-CB 4.35Å; L320-A323 WeakPolarHBondContact O-CB 3.21Å; L320-A323 PolarHBondContact O-N 2.95Å; P321-A323 PolarHBondContact O-N 2.84Å; P321-A323 VanDerWaalsContact O-N 3.14Å; A323-L345 HydrophobicContact CB-CD2 4.37Å; A323-F354 HydrophobicContact CB-CE1 3.8Å; A323-F354 HydrophobicContact CB-CZ 4.37Å; A323-F354 WeakPolarHBondContact O-CZ 3.36Å; A323-M408 HydrophobicContact CB-CB 4.16Å; A323-M408 HydrophobicContact CB-CG 4.09Å
324	M	93.4	Very high	83.5	Confident	60 Å²	60	43.5 Å²	43.5	30%	0.296	27%	0.271	S	S	.	.	S	Bend	trans	-156.1	76	169.8	-168.6	53.8	58.2	0	0	111	P321 S322 S326 I327 L345 F354	P321-M324 CarbonylContact O-C 3.51Å; P321-M324 PolarHBondContact O-N 2.77Å; S322-M324 VanDerWaalsContact C-N 3.25Å; S322-M324 PolarHBondContact O-N 2.91Å; M324-S326 PolarHBondContact O-N 3.44Å; M324-S326 PolarHBondContact SD-OG 2.89Å; M324-I327 HydrophobicContact CB-CD1 4.34Å; M324-I327 HydrophobicContact CG-CB 4.4Å; M324-I327 HydrophobicContact CG-CD1 3.65Å; M324-I327 HydrophobicContact CG-CG1 3.81Å; M324-I327 PolarHBondContact O-N 2.92Å; M324-I327 VanDerWaalsContact O-N 3.08Å; M324-L345 HydrophobicContact CB-CD2 3.87Å; M324-F354 HydrophobicContact CB-CB 4.24Å; M324-F354 HydrophobicContact CB-CD1 3.82Å; M324-F354 HydrophobicContact CB-CD2 4.18Å; M324-F354 HydrophobicContact CB-CE1 4.12Å; M324-F354 HydrophobicContact CB-CE2 4.46Å; M324-F354 HydrophobicContact CB-CG 3.84Å; M324-F354 HydrophobicContact CB-CZ 4.41Å; M324-F354 HydrophobicContact CE-CD2 3.61Å; M324-F354 HydrophobicContact CE-CE2 3.46Å; M324-F354 VanDerWaalsContact CE-CE2 3.46Å; M324-F354 HydrophobicContact CE-CG 4.39Å; M324-F354 HydrophobicContact CE-CZ 4.13Å; M324-F354 HydrophobicContact CG-CB 4.27Å; M324-F354 HydrophobicContact CG-CD2 4.27Å; M324-F354 HydrophobicContact CG-CG 4.18Å
325	P	86.9	Confident	81.2	Confident	103 Å²	103	44.6 Å²	44.6	67%	0.669	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-8.7	-173.2	28.4	-36	0	0	0	114	S322 I327	S322-P325 WeakPolarHBondContact O-CD 3.46Å; P325-I327 VanDerWaalsContact C-N 3.29Å
326	S	87.3	Confident	78.8	Confident	100 Å²	100	49.1 Å²	49.1	70%	0.699	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-8	173.1	62.8	0	0	0	0	114.1	M324	M324-S326 PolarHBondContact O-N 3.44Å; M324-S326 PolarHBondContact SD-OG 2.89Å
327	I	88.2	Confident	76.3	Confident	49 Å²	49	58.5 Å²	58.5	25%	0.251	36%	0.355	S	S	.	.	S	Bend	trans	-100.7	106.2	176.8	-68.7	176.7	0	0	0	109.2	M324 P325 L329 L345 F354 A356	M324-I327 HydrophobicContact CB-CD1 4.34Å; M324-I327 HydrophobicContact CG-CB 4.4Å; M324-I327 HydrophobicContact CG-CD1 3.65Å; M324-I327 HydrophobicContact CG-CG1 3.81Å; M324-I327 PolarHBondContact O-N 2.92Å; M324-I327 VanDerWaalsContact O-N 3.08Å; P325-I327 VanDerWaalsContact C-N 3.29Å; I327-L329 PolarHBondContact O-N 3.3Å; I327-L345 HydrophobicContact CB-CD1 3.99Å; I327-L345 HydrophobicContact CD1-CD1 4.08Å; I327-L345 HydrophobicContact CG2-CD1 3.74Å; I327-F354 HydrophobicContact CD1-CB 3.62Å; I327-A356 HydrophobicContact CG2-CB 3.65Å
328	D	84.1	Confident	73.7	Confident	128 Å²	128	62.7 Å²	62.7	68%	0.684	38%	0.38	S	S	*	.			trans	-69.2	113.5	177.2	-173.8	6.8	0	0	0	111.7	G330	D328-G330 VanDerWaalsContact C-N 3.29Å; D328-G330 WeakPolarHBondContact OD1-CA 3.43Å; D328-G330 PolarHBondContact OD1-N 2.96Å
329	L	85.6	Confident	71.4	Confident	12 Å²	12	71.1 Å²	71.1	6%	0.063	42%	0.419	C	S	.	.			trans	-81.2	-9.1	175.5	-62.2	177.7	0	0	0	112.8	Y270 P321 I327 K343 L345 A356	Y270-L329 HydrophobicContact CE2-CD1 4.21Å; P321-L329 HydrophobicContact CB-CD1 3.91Å; P321-L329 HydrophobicContact CG-CD1 3.81Å; I327-L329 PolarHBondContact O-N 3.3Å; L329-K343 HydrophobicContact CD2-CB 4.21Å; L329-K343 WeakPolarHBondContact O-CD 3.34Å; L329-L345 HydrophobicContact CD1-CB 4.25Å; L329-L345 HydrophobicContact CD2-CB 4.05Å; L329-L345 HydrophobicContact CD2-CD1 4.26Å; L329-A356 HydrophobicContact CD2-CB 3.81Å
330	G	75	Confident	69.4	Low	30 Å²	30	78.5 Å²	78.5	31%	0.309	45%	0.451	S	S	.	.			trans	84.1	160.8	-161.6	0	0	0	0	0	111.6	D328 L332	D328-G330 VanDerWaalsContact C-N 3.29Å; D328-G330 WeakPolarHBondContact OD1-CA 3.43Å; D328-G330 PolarHBondContact OD1-N 2.96Å; G330-L332 PolarHBondContact O-N 3.37Å
331	S	61.6	Low	68.1	Low	66 Å²	66	82.1 Å²	82.1	46%	0.462	48%	0.477	S	S	.	.			trans	-63.4	107.1	-175.3	-174.7	0	0	0	0	112.7	S333 N334	S331-S333 PolarHBondContact O-N 3.24Å; S331-S333 PolarHBondContact OG-OG 3.23Å; S331-N334 PolarHBondContact O-N 3.49Å
332	L	55.7	Low	67.5	Low	50 Å²	50	82.5 Å²	82.5	26%	0.262	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-24.7	179.4	-72.6	164.7	0	0	0	113.4	L266 P267 P321 G330 I335	L266-L332 HydrophobicContact CD2-CD1 4.1Å; P267-L332 HydrophobicContact CG-CD2 4.17Å; P321-L332 HydrophobicContact CG-CD1 4.24Å; G330-L332 PolarHBondContact O-N 3.37Å; L332-I335 HydrophobicContact CD2-CD1 4.25Å
333	S	47	Very low	67.7	Low	94 Å²	94	83.6 Å²	83.6	66%	0.657	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-29.5	177.8	54.9	0	0	0	0	113.8	S331 I335	S331-S333 PolarHBondContact O-N 3.24Å; S331-S333 PolarHBondContact OG-OG 3.23Å; S333-I335 VanDerWaalsContact C-N 3.34Å
334	N	41.7	Very low	67.8	Low	119 Å²	119	83.1 Å²	83.1	64%	0.636	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-80.8	-15.4	-179.4	-73	-13.1	0	0	0	113.3	S331 A336 K337	S331-N334 PolarHBondContact O-N 3.49Å; N334-A336 PolarHBondContact O-N 2.83Å; N334-K337 PolarHBondContact O-N 3.31Å
335	I	46.8	Very low	67.9	Low	31 Å²	31	80.2 Å²	80.2	16%	0.159	46%	0.455	C	S	.	.	G	3₁₀ helix	trans	-67.1	-17.6	-176.5	-79.1	157.9	0	0	0	113.2	P267 L332 S333 K337 Y342	P267-I335 HydrophobicContact CG-CG2 4.5Å; L332-I335 HydrophobicContact CD2-CD1 4.25Å; S333-I335 VanDerWaalsContact C-N 3.34Å; I335-K337 PolarHBondContact O-N 3.04Å; I335-K337 VanDerWaalsContact O-N 3.16Å; I335-Y342 VanDerWaalsContact CD1-CB 3.41Å; I335-Y342 HydrophobicContact CG2-CD1 4.22Å; I335-Y342 HydrophobicContact CG2-CG 3.96Å
336	A	45.4	Very low	68.4	Low	95 Å²	95	75.3 Å²	75.3	79%	0.785	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-65.2	-12.4	174.1	0	0	0	0	0	114.5	N334	N334-A336 PolarHBondContact O-N 2.83Å
337	K	44.9	Very low	68.8	Low	198 Å²	198	72.3 Å²	72.3	86%	0.861	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-115.5	-8	-177.2	-67.7	-174.7	177.8	-179.4	0	115.4	N334 I335	N334-K337 PolarHBondContact O-N 3.31Å; I335-K337 PolarHBondContact O-N 3.04Å; I335-K337 VanDerWaalsContact O-N 3.16Å
338	T	42.8	Very low	69.2	Low	88 Å²	88	70 Å²	70	54%	0.54	38%	0.384	S	S	.	.			trans	-138.3	108.3	176.2	50.2	0	0	0	0	112	K340	T338-K340 PolarHBondContact O-N 2.98Å
339	H	48.2	Very low	69.7	Low	177 Å²	177	63.9 Å²	63.9	82%	0.819	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	6.7	-170.5	-118.2	-89	0	0	0	115.9
340	K	53.4	Low	70.2	Confident	154 Å²	154	68.1 Å²	68.1	67%	0.67	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.6	-5.2	-155.6	-97.8	173.5	171.2	167.6	0	118.2	T338 S1367	T338-K340 PolarHBondContact O-N 2.98Å; K340-S1367 PolarHBondContact NZ-OG 2.84Å
341	S	66.1	Low	70.9	Confident	79 Å²	79	69.1 Å²	69.1	55%	0.552	37%	0.368	S	S	*	.			trans	-155.4	22.8	-178.1	62.5	0	0	0	0	118
342	Y	82.2	Confident	72.4	Confident	38 Å²	38	68.2 Å²	68.2	15%	0.149	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-66.9	141.5	176.4	76.7	-83.8	0	0	0	112.5	S269 I335 L344 V359	S269-Y342 WeakPolarHBondContact CB-OH 3.37Å; S269-Y342 WeakPolarHBondContact OG-CE2 3.39Å; S269-Y342 PolarHBondContact OG-OH 3.36Å; I335-Y342 VanDerWaalsContact CD1-CB 3.41Å; I335-Y342 HydrophobicContact CG2-CD1 4.22Å; I335-Y342 HydrophobicContact CG2-CG 3.96Å; Y342-L344 HydrophobicContact CE2-CD2 4.13Å; Y342-V359 HydrophobicContact CD1-CG2 4.33Å; Y342-V359 HydrophobicContact CD2-CG2 3.78Å; Y342-V359 HydrophobicContact CE1-CG2 4.03Å; Y342-V359 HydrophobicContact CE2-CG2 3.45Å; Y342-V359 VanDerWaalsContact CE2-CG2 3.45Å; Y342-V359 HydrophobicContact CG-CG2 4.2Å; Y342-V359 VanDerWaalsContact O-CG2 3.29Å; Y342-V359 WeakPolarHBondContact O-CG2 3.27Å; Y342-V359 PolarHBondContact O-N 3.18Å
343	K	92.5	Very high	74.2	Confident	74 Å²	74	72.8 Å²	72.8	32%	0.322	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	145.3	-176.4	-56.1	176.5	-163	158.2	0	111	L329 A356 V357 P358	L329-K343 HydrophobicContact CD2-CB 4.21Å; L329-K343 WeakPolarHBondContact O-CD 3.34Å; K343-A356 HydrophobicContact CD-CB 4.17Å; K343-V357 WeakPolarHBondContact CA-O 3.38Å; K343-P358 HydrophobicContact CG-CG 4.4Å
344	L	94.7	Very high	76.6	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	141.7	168.2	-58	176.8	0	0	0	109.4	Y270 L273 V318 Y342 V346 A356 V357 V359 V362	Y270-L344 HydrophobicContact CD2-CD2 3.53Å; Y270-L344 HydrophobicContact CE2-CD2 3.8Å; Y270-L344 HydrophobicContact CG-CD2 4Å; L273-L344 HydrophobicContact CD1-CD1 3.65Å; L273-L344 HydrophobicContact CD1-CD2 4.41Å; V318-L344 HydrophobicContact CG1-CB 4.4Å; V318-L344 HydrophobicContact CG1-CD1 4.44Å; V318-L344 HydrophobicContact CG1-CD2 4.48Å; V318-L344 HydrophobicContact CG2-CD1 4.14Å; Y342-L344 HydrophobicContact CE2-CD2 4.13Å; L344-V346 HydrophobicContact CB-CG2 3.95Å; L344-A356 WeakPolarHBondContact O-CA 3.45Å; L344-V357 PolarHBondContact N-O 2.97Å; L344-V357 PolarHBondContact O-N 3.41Å; L344-V359 HydrophobicContact CD1-CG2 4.04Å; L344-V359 HydrophobicContact CD2-CG2 4.16Å; L344-V359 HydrophobicContact CG-CG2 3.75Å; L344-V362 HydrophobicContact CD1-CG1 4.17Å; L344-V362 HydrophobicContact CD1-CG2 4.35Å
345	L	96.4	Very high	79.1	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	126.6	160.9	-164.6	70.7	0	0	0	108.8	Y270 V319 L320 A323 M324 I327 L329 F354	Y270-L345 VanDerWaalsContact OH-CB 3.29Å; Y270-L345 WeakPolarHBondContact OH-CB 3.39Å; Y270-L345 PolarHBondContact OH-N 3.42Å; V319-L345 HydrophobicContact CG2-CB 4.11Å; V319-L345 HydrophobicContact CG2-CD2 3.9Å; V319-L345 HydrophobicContact CG2-CG 3.87Å; V319-L345 WeakPolarHBondContact CG2-O 3.35Å; V319-L345 PolarHBondContact N-O 3.46Å; L320-L345 WeakPolarHBondContact O-CD2 3.35Å; A323-L345 HydrophobicContact CB-CD2 4.37Å; M324-L345 HydrophobicContact CB-CD2 3.87Å; I327-L345 HydrophobicContact CB-CD1 3.99Å; I327-L345 HydrophobicContact CD1-CD1 4.08Å; I327-L345 HydrophobicContact CG2-CD1 3.74Å; L329-L345 HydrophobicContact CD1-CB 4.25Å; L329-L345 HydrophobicContact CD2-CB 4.05Å; L329-L345 HydrophobicContact CD2-CD1 4.26Å; L345-F354 HydrophobicContact CD1-CB 4.31Å; L345-F354 HydrophobicContact CD2-CD1 3.94Å; L345-F354 HydrophobicContact CD2-CE1 4.41Å; L345-F354 HydrophobicContact CG-CD1 4.14Å
346	V	96.2	Very high	81.4	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	133.5	-174.9	-146.2	0	0	0	0	109.5	V278 V280 A316 V317 V318 L344 F354 L355 V357	V278-V346 HydrophobicContact CG2-CG1 3.64Å; V280-V346 HydrophobicContact CG2-CG1 4.45Å; A316-V346 HydrophobicContact CB-CB 4.33Å; A316-V346 HydrophobicContact CB-CG1 3.46Å; A316-V346 VanDerWaalsContact CB-CG1 3.46Å; V317-V346 VanDerWaalsContact C-CG1 3.48Å; V317-V346 CarbonylContact O-C 3.54Å; V317-V346 VanDerWaalsContact O-CA 3.3Å; V317-V346 WeakPolarHBondContact O-CA 3.34Å; V317-V346 VanDerWaalsContact O-CG1 3.24Å; V317-V346 WeakPolarHBondContact O-CG1 3.48Å; V318-V346 HydrophobicContact CG2-CG1 4.25Å; L344-V346 HydrophobicContact CB-CG2 3.95Å; V346-F354 CarbonylContact O-C 3.53Å; V346-F354 WeakPolarHBondContact O-CA 3.44Å; V346-L355 PolarHBondContact N-O 2.92Å; V346-L355 PolarHBondContact O-N 2.85Å; V346-V357 HydrophobicContact CB-CG2 4.41Å; V346-V357 HydrophobicContact CG2-CB 3.95Å; V346-V357 HydrophobicContact CG2-CG2 3.77Å
347	R	96.2	Very high	83.7	Confident	36 Å²	36	60.9 Å²	60.9	14%	0.136	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	124.6	175.4	-162.7	177.1	-175.3	-177.7	-1.6	110.7	A316 V317 N352 R353 F354 W400 M408	A316-R347 CarbonylContact C-O 3.59Å; A316-R347 WeakPolarHBondContact CA-O 3.35Å; A316-R347 WeakPolarHBondContact CB-O 3.31Å; V317-R347 HydrophobicContact CG1-CB 4.39Å; V317-R347 PolarHBondContact N-O 2.94Å; V317-R347 PolarHBondContact O-N 3.18Å; R347-N352 PolarHBondContact NE-O 3.21Å; R347-R353 WeakPolarHBondContact CA-O 3.45Å; R347-F354 HydrophobicContact CB-CD1 4.11Å; R347-F354 HydrophobicContact CB-CE1 4.25Å; R347-F354 HydrophobicContact CG-CD1 4.26Å; R347-F354 HydrophobicContact CG-CD2 4.36Å; R347-F354 HydrophobicContact CG-CE1 4.3Å; R347-F354 HydrophobicContact CG-CE2 4.39Å; R347-F354 HydrophobicContact CG-CG 4.31Å; R347-F354 HydrophobicContact CG-CZ 4.38Å; R347-W400 HydrophobicContact CB-CH2 4.07Å; R347-W400 HydrophobicContact CB-CZ2 4.43Å; R347-W400 HydrophobicContact CG-CH2 3.94Å; R347-W400 HydrophobicContact CG-CZ2 3.81Å; R347-W400 HydrophobicContact CG-CZ3 4.47Å; R347-M408 HydrophobicContact CB-CE 4.42Å; R347-M408 HydrophobicContact CB-SD 4.45Å; R347-M408 WeakPolarHBondContact CD-SD 3.29Å; R347-M408 PolarHBondContact NH1-SD 3.26Å
348	S	96.3	Very high	85.9	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.007	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	132.1	-174.4	-180	0	0	0	0	112.4	T314 K350 N352 R353	T314-S348 WeakPolarHBondContact CB-OG 3.49Å; T314-S348 PolarHBondContact OG1-OG 3.41Å; S348-K350 VanDerWaalsContact C-N 3.25Å; S348-K350 PolarHBondContact O-N 3.37Å; S348-K350 PolarHBondContact OG-N 3.41Å; S348-N352 VanDerWaalsContact O-CA 3.29Å; S348-N352 WeakPolarHBondContact O-CA 3.47Å; S348-N352 PolarHBondContact O-N 2.94Å; S348-R353 PolarHBondContact N-O 3.19Å
349	F	96	Very high	88.3	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-19.9	173.7	-72.9	-90.3	0	0	0	113	L277 P315 V317 A383 R386 A387 W390 F396 P397 W400	L277-F349 HydrophobicContact CD1-CD2 3.93Å; L277-F349 HydrophobicContact CD1-CE2 3.43Å; L277-F349 VanDerWaalsContact CD1-CE2 3.43Å; L277-F349 HydrophobicContact CD1-CZ 4.23Å; P315-F349 HydrophobicContact CG-CB 4.47Å; P315-F349 PolarHBondContact O-N 3.13Å; V317-F349 HydrophobicContact CB-CE2 3.91Å; V317-F349 HydrophobicContact CB-CZ 4.27Å; V317-F349 HydrophobicContact CG1-CE2 4.17Å; V317-F349 HydrophobicContact CG1-CZ 4.34Å; F349-A383 HydrophobicContact CB-CB 4.41Å; F349-R386 HydrophobicContact CD1-CB 3.94Å; F349-R386 WeakPolarHBondContact CE1-O 3.5Å; F349-R386 VanDerWaalsContact O-CZ 3.29Å; F349-R386 PolarHBondContact O-NH1 3.42Å; F349-R386 VanDerWaalsContact O-NH1 3.14Å; F349-R386 PolarHBondContact O-NH2 3.03Å; F349-A387 HydrophobicContact CD1-CB 4.49Å; F349-A387 HydrophobicContact CD2-CB 4.02Å; F349-A387 HydrophobicContact CE2-CB 4.29Å; F349-A387 HydrophobicContact CG-CB 4.14Å; F349-W390 HydrophobicContact CE1-CB 4Å; F349-W390 HydrophobicContact CZ-CB 3.67Å; F349-W390 AromaticContact CZ-CG 3.89Å; F349-W390 HydrophobicContact CZ-CG 3.89Å; F349-F396 HydrophobicContact CZ-CD1 4.42Å; F349-F396 HydrophobicContact CZ-CE1 4.41Å; F349-P397 HydrophobicContact CD1-CG 3.89Å; F349-P397 HydrophobicContact CE1-CG 4.11Å; F349-W400 HydrophobicContact CD1-CH2 4.25Å; F349-W400 HydrophobicContact CD1-CZ2 4.49Å; F349-W400 HydrophobicContact CE1-CH2 4.16Å; F349-W400 HydrophobicContact CE2-CH2 4.46Å; F349-W400 HydrophobicContact CG-CH2 4.46Å; F349-W400 HydrophobicContact CZ-CH2 4.27Å
350	K	94.4	Very high	90.3	Very high	101 Å²	101	47.2 Å²	47.2	44%	0.439	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-50.6	175.1	-172.6	-169	-175.6	175.6	0	111.3	T314 S348 L380 A383	T314-K350 HydrophobicContact CG2-CB 4.17Å; T314-K350 HydrophobicContact CG2-CD 3.81Å; S348-K350 VanDerWaalsContact C-N 3.25Å; S348-K350 PolarHBondContact O-N 3.37Å; S348-K350 PolarHBondContact OG-N 3.41Å; K350-L380 HydrophobicContact CD-CD2 3.49Å; K350-L380 VanDerWaalsContact CD-CD2 3.49Å; K350-L380 VanDerWaalsContact CE-CD2 3.49Å; K350-L380 HydrophobicContact CG-CD2 4.13Å; K350-A383 HydrophobicContact CB-CB 3.88Å; K350-A383 HydrophobicContact CG-CB 4.45Å
351	D	90.6	Very high	92.2	Very high	50 Å²	50	43 Å²	43	27%	0.267	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-12.4	-164.9	-81.2	39.5	0	0	0	114.1	R353	D351-R353 HydrophobicContact CB-CB 4Å; D351-R353 HydrophobicContact CB-CG 4.14Å; D351-R353 PolarHBondContact O-N 2.85Å; D351-R353 IonicContact OD2-CZ 2.79Å; D351-R353 IonicContact OD2-NE 3.55Å; D351-R353 PolarHBondContact OD2-NE 3.43Å; D351-R353 IonicContact OD2-NH2 2.73Å; D351-R353 PolarHBondContact OD2-NH2 2.76Å
352	N	93.2	Very high	93.4	Very high	47 Å²	47	40.4 Å²	40.4	25%	0.251	19%	0.191	S	C	.	.			trans	56.7	-2.3	-163.4	-70.5	1	0	0	0	115.3	R347 S348 S399 W400	R347-N352 PolarHBondContact NE-O 3.21Å; S348-N352 VanDerWaalsContact O-CA 3.29Å; S348-N352 WeakPolarHBondContact O-CA 3.47Å; S348-N352 PolarHBondContact O-N 2.94Å; N352-S399 PolarHBondContact ND2-OG 2.99Å; N352-W400 PolarHBondContact OD1-NE1 2.94Å
353	R	94.1	Very high	94	Very high	147 Å²	147	46.8 Å²	46.8	56%	0.555	22%	0.219	S	C	*	.			trans	-77.6	145.8	-178.8	-71	-171.9	-89.3	-143.9	-4.3	112.4	R347 S348 D351	R347-R353 WeakPolarHBondContact CA-O 3.45Å; S348-R353 PolarHBondContact N-O 3.19Å; D351-R353 HydrophobicContact CB-CB 4Å; D351-R353 HydrophobicContact CB-CG 4.14Å; D351-R353 PolarHBondContact O-N 2.85Å; D351-R353 IonicContact OD2-CZ 2.79Å; D351-R353 IonicContact OD2-NE 3.55Å; D351-R353 PolarHBondContact OD2-NE 3.43Å; D351-R353 IonicContact OD2-NH2 2.73Å; D351-R353 PolarHBondContact OD2-NH2 2.76Å
354	F	96.4	Very high	94	Very high	33 Å²	33	50.2 Å²	50.2	15%	0.145	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	145.9	165.8	-65.3	-97.4	0	0	0	110.4	V319 A323 M324 I327 L345 V346 R347 M408	V319-F354 HydrophobicContact CG2-CD1 4.15Å; V319-F354 HydrophobicContact CG2-CE1 4.11Å; A323-F354 HydrophobicContact CB-CE1 3.8Å; A323-F354 HydrophobicContact CB-CZ 4.37Å; A323-F354 WeakPolarHBondContact O-CZ 3.36Å; M324-F354 HydrophobicContact CB-CB 4.24Å; M324-F354 HydrophobicContact CB-CD1 3.82Å; M324-F354 HydrophobicContact CB-CD2 4.18Å; M324-F354 HydrophobicContact CB-CE1 4.12Å; M324-F354 HydrophobicContact CB-CE2 4.46Å; M324-F354 HydrophobicContact CB-CG 3.84Å; M324-F354 HydrophobicContact CB-CZ 4.41Å; M324-F354 HydrophobicContact CE-CD2 3.61Å; M324-F354 HydrophobicContact CE-CE2 3.46Å; M324-F354 VanDerWaalsContact CE-CE2 3.46Å; M324-F354 HydrophobicContact CE-CG 4.39Å; M324-F354 HydrophobicContact CE-CZ 4.13Å; M324-F354 HydrophobicContact CG-CB 4.27Å; M324-F354 HydrophobicContact CG-CD2 4.27Å; M324-F354 HydrophobicContact CG-CG 4.18Å; I327-F354 HydrophobicContact CD1-CB 3.62Å; L345-F354 HydrophobicContact CD1-CB 4.31Å; L345-F354 HydrophobicContact CD2-CD1 3.94Å; L345-F354 HydrophobicContact CD2-CE1 4.41Å; L345-F354 HydrophobicContact CG-CD1 4.14Å; V346-F354 CarbonylContact O-C 3.53Å; V346-F354 WeakPolarHBondContact O-CA 3.44Å; R347-F354 HydrophobicContact CB-CD1 4.11Å; R347-F354 HydrophobicContact CB-CE1 4.25Å; R347-F354 HydrophobicContact CG-CD1 4.26Å; R347-F354 HydrophobicContact CG-CD2 4.36Å; R347-F354 HydrophobicContact CG-CE1 4.3Å; R347-F354 HydrophobicContact CG-CE2 4.39Å; R347-F354 HydrophobicContact CG-CG 4.31Å; R347-F354 HydrophobicContact CG-CZ 4.38Å; F354-M408 HydrophobicContact CE1-SD 3.74Å; F354-M408 HydrophobicContact CZ-SD 3.67Å
355	L	94.2	Very high	93.9	Very high	26 Å²	26	50.8 Å²	50.8	14%	0.136	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	133.5	179.6	-61.7	172.1	0	0	0	108.8	V346 V357	V346-L355 PolarHBondContact N-O 2.92Å; V346-L355 PolarHBondContact O-N 2.85Å; L355-V357 HydrophobicContact CB-CG2 3.67Å
356	A	94.8	Very high	93.8	Very high	29 Å²	29	56.5 Å²	56.5	24%	0.24	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	115.8	159.7	0	0	0	0	0	108	I327 L329 K343 L344	I327-A356 HydrophobicContact CG2-CB 3.65Å; L329-A356 HydrophobicContact CD2-CB 3.81Å; K343-A356 HydrophobicContact CD-CB 4.17Å; L344-A356 WeakPolarHBondContact O-CA 3.45Å
357	V	93	Very high	93.8	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	120.8	-175.9	-170.2	0	0	0	0	109.3	V280 M282 K343 L344 V346 L355 F361 V362	V280-V357 HydrophobicContact CG1-CG1 3.95Å; V280-V357 HydrophobicContact CG1-CG2 4.06Å; V280-V357 HydrophobicContact CG2-CG1 4.42Å; V280-V357 HydrophobicContact CG2-CG2 4Å; M282-V357 HydrophobicContact SD-CG1 4.08Å; K343-V357 WeakPolarHBondContact CA-O 3.38Å; L344-V357 PolarHBondContact N-O 2.97Å; L344-V357 PolarHBondContact O-N 3.41Å; V346-V357 HydrophobicContact CB-CG2 4.41Å; V346-V357 HydrophobicContact CG2-CB 3.95Å; V346-V357 HydrophobicContact CG2-CG2 3.77Å; L355-V357 HydrophobicContact CB-CG2 3.67Å; V357-F361 HydrophobicContact CG1-CB 3.94Å; V357-V362 HydrophobicContact CB-CG2 3.95Å; V357-V362 HydrophobicContact CG1-CG2 3.48Å; V357-V362 VanDerWaalsContact CG1-CG2 3.48Å
358	P	92.9	Very high	93.7	Very high	24 Å²	24	64.6 Å²	64.6	16%	0.156	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	137	169.3	-22.4	32.8	0	0	0	110.8	K343 E360 F361	K343-P358 HydrophobicContact CG-CG 4.4Å; P358-E360 HydrophobicContact CB-CG 4.04Å; P358-E360 VanDerWaalsContact CB-OE1 3.23Å; P358-E360 WeakPolarHBondContact CB-OE1 3.38Å; P358-E360 PolarHBondContact O-N 3.23Å; P358-F361 HydrophobicContact CB-CD2 3.95Å; P358-F361 HydrophobicContact CB-CE2 4.25Å; P358-F361 HydrophobicContact CG-CD2 4.07Å; P358-F361 HydrophobicContact CG-CE2 4.23Å; P358-F361 PolarHBondContact O-N 3.16Å
359	V	91.6	Very high	93.6	Very high	42 Å²	42	66.6 Å²	66.6	26%	0.255	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-56.8	-29.3	-170.7	172.3	0	0	0	0	113.4	Y342 L344 F361 V362	Y342-V359 HydrophobicContact CD1-CG2 4.33Å; Y342-V359 HydrophobicContact CD2-CG2 3.78Å; Y342-V359 HydrophobicContact CE1-CG2 4.03Å; Y342-V359 HydrophobicContact CE2-CG2 3.45Å; Y342-V359 VanDerWaalsContact CE2-CG2 3.45Å; Y342-V359 HydrophobicContact CG-CG2 4.2Å; Y342-V359 VanDerWaalsContact O-CG2 3.29Å; Y342-V359 WeakPolarHBondContact O-CG2 3.27Å; Y342-V359 PolarHBondContact O-N 3.18Å; L344-V359 HydrophobicContact CD1-CG2 4.04Å; L344-V359 HydrophobicContact CD2-CG2 4.16Å; L344-V359 HydrophobicContact CG-CG2 3.75Å; V359-F361 PolarHBondContact O-N 3.11Å; V359-V362 WeakPolarHBondContact O-CB 3.06Å; V359-V362 PolarHBondContact O-N 2.91Å
360	E	90.7	Very high	93.5	Very high	110 Å²	110	66.6 Å²	66.6	51%	0.514	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-58	-28.9	175.3	66.9	-154.8	133.9	0	0	114	P358	P358-E360 HydrophobicContact CB-CG 4.04Å; P358-E360 VanDerWaalsContact CB-OE1 3.23Å; P358-E360 WeakPolarHBondContact CB-OE1 3.38Å; P358-E360 PolarHBondContact O-N 3.23Å
361	F	92.6	Very high	93.6	Very high	66 Å²	66	64.6 Å²	64.6	29%	0.289	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-93.6	12.2	176.9	-56.6	-67.4	0	0	0	113.7	D281 M282 P283 V357 P358 V359	D281-F361 PolarHBondContact N-O 3.39Å; D281-F361 WeakPolarHBondContact O-CD1 3.41Å; M282-F361 HydrophobicContact CB-CB 3.98Å; M282-F361 HydrophobicContact CB-CG 4.18Å; M282-F361 HydrophobicContact CG-CB 4.28Å; M282-F361 HydrophobicContact CG-CD2 4.01Å; M282-F361 HydrophobicContact CG-CG 4.05Å; P283-F361 VanDerWaalsContact CD-CE1 3.43Å; P283-F361 HydrophobicContact CG-CE1 4.05Å; P283-F361 HydrophobicContact CG-CZ 4.25Å; V357-F361 HydrophobicContact CG1-CB 3.94Å; P358-F361 HydrophobicContact CB-CD2 3.95Å; P358-F361 HydrophobicContact CB-CE2 4.25Å; P358-F361 HydrophobicContact CG-CD2 4.07Å; P358-F361 HydrophobicContact CG-CE2 4.23Å; P358-F361 PolarHBondContact O-N 3.16Å; V359-F361 PolarHBondContact O-N 3.11Å
362	V	92.5	Very high	93.8	Very high	24 Å²	24	68.3 Å²	68.3	15%	0.145	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	93.2	-172.2	-173.8	0	0	0	0	111.1	V278 M279 L344 V357 V359	V278-V362 HydrophobicContact CB-CG1 3.53Å; V278-V362 HydrophobicContact CG1-CG1 3.62Å; V278-V362 HydrophobicContact CG2-CG1 3.72Å; M279-V362 WeakPolarHBondContact O-CA 3.4Å; L344-V362 HydrophobicContact CD1-CG1 4.17Å; L344-V362 HydrophobicContact CD1-CG2 4.35Å; V357-V362 HydrophobicContact CB-CG2 3.95Å; V357-V362 HydrophobicContact CG1-CG2 3.48Å; V357-V362 VanDerWaalsContact CG1-CG2 3.48Å; V359-V362 WeakPolarHBondContact O-CB 3.06Å; V359-V362 PolarHBondContact O-N 2.91Å
363	K	93.9	Very high	93.8	Very high	172 Å²	172	67.7 Å²	67.7	75%	0.748	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	132.3	174.6	-128.9	175.8	-175.1	179.7	0	109.9	V278 M279 L365	V278-K363 CarbonylContact C-O 3.13Å; V278-K363 WeakPolarHBondContact CA-O 3.38Å; M279-K363 HydrophobicContact CB-CB 4.45Å; M279-K363 PolarHBondContact N-O 2.79Å; M279-K363 PolarHBondContact O-N 3.35Å; K363-L365 PolarHBondContact O-N 2.9Å
364	R	92.4	Very high	93.8	Very high	147 Å²	147	61 Å²	61	56%	0.555	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.8	119.1	-180	-179.2	-178.3	164.5	-157.1	-8.9	110.6
365	L	94.2	Very high	93.6	Very high	11 Å²	11	65 Å²	65	6%	0.058	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-91.9	134.5	-174.7	-171.3	64.3	0	0	0	111.4	L277 M279 P315 K363 D369 A370 L373 F384	L277-L365 HydrophobicContact CD2-CB 4.3Å; L277-L365 HydrophobicContact CD2-CD2 3.7Å; L277-L365 HydrophobicContact CD2-CG 4.12Å; L277-L365 HydrophobicContact CG-CB 4.21Å; L277-L365 HydrophobicContact CG-CD2 4.01Å; L277-L365 HydrophobicContact CG-CG 4.48Å; L277-L365 PolarHBondContact O-N 3Å; M279-L365 HydrophobicContact CG-CB 4.28Å; M279-L365 HydrophobicContact CG-CD1 3.82Å; M279-L365 HydrophobicContact CG-CD2 3.93Å; M279-L365 HydrophobicContact CG-CG 4.24Å; M279-L365 HydrophobicContact SD-CD2 3.92Å; P315-L365 HydrophobicContact CB-CD2 4.3Å; K363-L365 PolarHBondContact O-N 2.9Å; L365-D369 HydrophobicContact CD1-CB 3.6Å; L365-A370 HydrophobicContact CD1-CB 4.18Å; L365-A370 HydrophobicContact CD2-CB 3.81Å; L365-A370 HydrophobicContact CG-CB 3.91Å; L365-L373 HydrophobicContact CD1-CD1 3.85Å; L365-F384 HydrophobicContact CD2-CD1 4.23Å; L365-F384 HydrophobicContact CD2-CE1 3.93Å
366	K	94.4	Very high	93.7	Very high	121 Å²	121	67.5 Å²	67.5	53%	0.526	33%	0.33	S	S	.	.			trans	-106.1	175	171.3	-48.5	172.4	-162.8	154.7	0	111.1	P368 D369 A370	K366-P368 HydrophobicContact CB-CG 4.4Å; K366-D369 HydrophobicContact CB-CB 4.43Å; K366-D369 WeakPolarHBondContact CB-OD2 3.29Å; K366-D369 WeakPolarHBondContact CG-OD2 3.29Å; K366-D369 PolarHBondContact N-OD2 2.68Å; K366-A370 WeakPolarHBondContact O-CB 3.44Å; K366-A370 PolarHBondContact O-N 3.08Å
367	R	94.7	Very high	93.6	Very high	122 Å²	122	71 Å²	71	46%	0.46	34%	0.338	S	S	.	.	H	α-helix	trans	-57.5	-55.8	174.6	-176.7	172.7	-179.3	75.6	-4.8	114.1	A370 V371 L388 L391 D392	R367-A370 PolarHBondContact O-N 2.82Å; R367-V371 WeakPolarHBondContact O-CG2 3.47Å; R367-V371 PolarHBondContact O-N 3.02Å; R367-L388 HydrophobicContact CG-CD2 3.99Å; R367-L391 HydrophobicContact CB-CD1 4.26Å; R367-D392 IonicContact CZ-OD1 2.73Å; R367-D392 IonicContact CZ-OD2 3.06Å; R367-D392 IonicContact NE-OD1 3.77Å; R367-D392 IonicContact NH1-OD1 3.07Å; R367-D392 PolarHBondContact NH1-OD1 2.95Å; R367-D392 IonicContact NH1-OD2 3.28Å; R367-D392 PolarHBondContact NH1-OD2 2.87Å; R367-D392 IonicContact NH2-OD2 3.22Å
368	P	95.4	Very high	93.5	Very high	83 Å²	83	75.4 Å²	75.4	54%	0.539	37%	0.366	S	S	.	.	H	α-helix	trans	-60	-50.6	178.6	21	-31.7	0	0	0	111.6	K366 A370 V371 E372	K366-P368 HydrophobicContact CB-CG 4.4Å; P368-A370 PolarHBondContact O-N 3.01Å; P368-A370 VanDerWaalsContact O-N 3.13Å; P368-V371 PolarHBondContact O-N 3.26Å; P368-E372 PolarHBondContact O-N 2.78Å
369	D	93.8	Very high	93.4	Very high	44 Å²	44	78.8 Å²	78.8	24%	0.235	40%	0.396	C	S	.	.	H	α-helix	trans	-50.6	-38.9	175.1	-40.2	7.9	0	0	0	112.4	L365 K366 L373	L365-D369 HydrophobicContact CD1-CB 3.6Å; K366-D369 HydrophobicContact CB-CB 4.43Å; K366-D369 WeakPolarHBondContact CB-OD2 3.29Å; K366-D369 WeakPolarHBondContact CG-OD2 3.29Å; K366-D369 PolarHBondContact N-OD2 2.68Å; D369-L373 WeakPolarHBondContact O-CB 3.16Å; D369-L373 WeakPolarHBondContact O-CD1 3.45Å; D369-L373 WeakPolarHBondContact O-CG 3.36Å; D369-L373 PolarHBondContact O-N 2.63Å; D369-L373 VanDerWaalsContact O-N 3.07Å
370	A	94	Very high	93.6	Very high	0 Å²	0	77.3 Å²	77.3	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-75.3	-34.4	179.8	0	0	0	0	0	113.2	L365 K366 R367 P368 A374 F384 L388	L365-A370 HydrophobicContact CD1-CB 4.18Å; L365-A370 HydrophobicContact CD2-CB 3.81Å; L365-A370 HydrophobicContact CG-CB 3.91Å; K366-A370 WeakPolarHBondContact O-CB 3.44Å; K366-A370 PolarHBondContact O-N 3.08Å; R367-A370 PolarHBondContact O-N 2.82Å; P368-A370 PolarHBondContact O-N 3.01Å; P368-A370 VanDerWaalsContact O-N 3.13Å; A370-A374 VanDerWaalsContact O-CB 3.31Å; A370-A374 WeakPolarHBondContact O-CB 3.28Å; A370-A374 PolarHBondContact O-N 3.35Å; A370-A374 VanDerWaalsContact O-N 3.08Å; A370-F384 HydrophobicContact CB-CD1 4.33Å; A370-L388 HydrophobicContact CB-CD2 3.84Å; A370-L388 HydrophobicContact CB-CG 4.23Å
371	V	95.4	Very high	93.8	Very high	58 Å²	58	77 Å²	77	35%	0.352	38%	0.381	S	S	.	.	H	α-helix	trans	-69	-50.2	173	173.8	0	0	0	0	109.5	R367 P368 L373 A374 H375 L388	R367-V371 WeakPolarHBondContact O-CG2 3.47Å; R367-V371 PolarHBondContact O-N 3.02Å; P368-V371 PolarHBondContact O-N 3.26Å; V371-L373 PolarHBondContact O-N 3.19Å; V371-A374 WeakPolarHBondContact O-CA 3.45Å; V371-A374 VanDerWaalsContact O-CB 3.31Å; V371-A374 WeakPolarHBondContact O-CB 3.41Å; V371-A374 PolarHBondContact O-N 3.34Å; V371-H375 PolarHBondContact O-CD2 3.46Å; V371-H375 VanDerWaalsContact O-CD2 3.29Å; V371-H375 PolarHBondContact O-N 2.96Å; V371-H375 VanDerWaalsContact O-N 3.08Å; V371-L388 HydrophobicContact CG2-CD1 3.95Å; V371-L388 HydrophobicContact CG2-CD2 4.08Å
372	E	95.2	Very high	93.9	Very high	129 Å²	129	77.2 Å²	77.2	60%	0.603	39%	0.388	S	S	*	.	H	α-helix	trans	-52	-52.7	176.6	-172	-168.8	154.3	0	0	111.1	P368 A374 H375 T376	P368-E372 PolarHBondContact O-N 2.78Å; E372-A374 VanDerWaalsContact C-N 3.28Å; E372-A374 PolarHBondContact O-N 3.09Å; E372-H375 PolarHBondContact O-N 3.17Å; E372-H375 VanDerWaalsContact O-N 3.12Å; E372-T376 PolarHBondContact O-N 2.93Å; E372-T376 PolarHBondContact O-OG1 3.46Å; E372-T376 VanDerWaalsContact O-OG1 3.05Å
373	L	94.3	Very high	94.1	Very high	33 Å²	33	76.2 Å²	76.2	17%	0.173	38%	0.383	C	S	.	.	H	α-helix	trans	-66.3	-24.6	177.8	-67.9	173	0	0	0	114	M279 F313 L365 D369 V371 Y377 F384	M279-L373 HydrophobicContact CG-CD1 4.02Å; M279-L373 HydrophobicContact SD-CD1 4.39Å; F313-L373 HydrophobicContact CE1-CD2 4.37Å; F313-L373 HydrophobicContact CZ-CD1 4.33Å; F313-L373 HydrophobicContact CZ-CD2 4Å; L365-L373 HydrophobicContact CD1-CD1 3.85Å; D369-L373 WeakPolarHBondContact O-CB 3.16Å; D369-L373 WeakPolarHBondContact O-CD1 3.45Å; D369-L373 WeakPolarHBondContact O-CG 3.36Å; D369-L373 PolarHBondContact O-N 2.63Å; D369-L373 VanDerWaalsContact O-N 3.07Å; V371-L373 PolarHBondContact O-N 3.19Å; L373-Y377 HydrophobicContact CB-CD2 4.49Å; L373-Y377 HydrophobicContact CD2-CD2 4.01Å; L373-Y377 HydrophobicContact CD2-CE2 3.69Å; L373-Y377 WeakPolarHBondContact O-CB 3.37Å; L373-Y377 WeakPolarHBondContact O-CD2 3.44Å; L373-Y377 PolarHBondContact O-N 3.46Å; L373-F384 HydrophobicContact CB-CD1 4.47Å; L373-F384 HydrophobicContact CB-CE1 3.74Å; L373-F384 HydrophobicContact CB-CE2 3.94Å; L373-F384 HydrophobicContact CB-CZ 3.45Å; L373-F384 VanDerWaalsContact CB-CZ 3.45Å; L373-F384 HydrophobicContact CD1-CE1 4.22Å; L373-F384 HydrophobicContact CD1-CZ 4.19Å; L373-F384 HydrophobicContact CG-CZ 4.43Å; L373-F384 WeakPolarHBondContact O-CE2 3.45Å
374	A	93.5	Very high	94.2	Very high	6 Å²	6	68 Å²	68	5%	0.05	35%	0.347	C	S	.	.	H	α-helix	trans	-70.1	-35.3	172.8	0	0	0	0	0	112.1	A370 V371 E372 R381 F384	A370-A374 VanDerWaalsContact O-CB 3.31Å; A370-A374 WeakPolarHBondContact O-CB 3.28Å; A370-A374 PolarHBondContact O-N 3.35Å; A370-A374 VanDerWaalsContact O-N 3.08Å; V371-A374 WeakPolarHBondContact O-CA 3.45Å; V371-A374 VanDerWaalsContact O-CB 3.31Å; V371-A374 WeakPolarHBondContact O-CB 3.41Å; V371-A374 PolarHBondContact O-N 3.34Å; E372-A374 VanDerWaalsContact C-N 3.28Å; E372-A374 PolarHBondContact O-N 3.09Å; A374-R381 HydrophobicContact CB-CG 4Å; A374-R381 WeakPolarHBondContact O-CG 3.33Å; A374-F384 HydrophobicContact CB-CB 3.59Å; A374-F384 HydrophobicContact CB-CD2 4.11Å; A374-F384 HydrophobicContact CB-CG 4Å
375	H	93	Very high	94.4	Very high	119 Å²	119	65.4 Å²	65.4	55%	0.551	34%	0.341	S	S	*	.	H	α-helix	trans	-73.9	-45.3	172.5	-76.2	-107.7	0	0	0	111.3	V371 E372 Y377 R381	V371-H375 PolarHBondContact O-CD2 3.46Å; V371-H375 VanDerWaalsContact O-CD2 3.29Å; V371-H375 PolarHBondContact O-N 2.96Å; V371-H375 VanDerWaalsContact O-N 3.08Å; E372-H375 PolarHBondContact O-N 3.17Å; E372-H375 VanDerWaalsContact O-N 3.12Å; H375-Y377 VanDerWaalsContact C-N 3.3Å; H375-Y377 PolarHBondContact O-N 3.29Å; H375-R381 PolarHBondContact CE1-NH2 3.49Å; H375-R381 PolarHBondContact NE2-NH2 3.09Å
376	T	94.6	Very high	94.4	Very high	78 Å²	78	68.7 Å²	68.7	48%	0.479	35%	0.353	S	S	.	.	H	α-helix	trans	-64.9	-29.7	179.5	-54.7	0	0	0	0	113.3	E372	E372-T376 PolarHBondContact O-N 2.93Å; E372-T376 PolarHBondContact O-OG1 3.46Å; E372-T376 VanDerWaalsContact O-OG1 3.05Å
377	Y	93.3	Very high	94.5	Very high	103 Å²	103	63 Å²	63	40%	0.404	33%	0.328	S	S	.	.			trans	-125.7	79.3	-179.4	-60.5	-78.3	0	0	0	112.4	F313 L373 H375 A379 L380 R381	F313-Y377 HydrophobicContact CD1-CD2 4.41Å; F313-Y377 HydrophobicContact CD1-CE2 4.37Å; F313-Y377 AromaticContact CE1-CD2 3.64Å; F313-Y377 HydrophobicContact CE1-CD2 3.64Å; F313-Y377 AromaticContact CE1-CE2 3.51Å; F313-Y377 HydrophobicContact CE1-CE2 3.51Å; F313-Y377 HydrophobicContact CE1-CG 4.27Å; F313-Y377 HydrophobicContact CZ-CD2 4.43Å; F313-Y377 AromaticContact CZ-CE2 3.93Å; F313-Y377 HydrophobicContact CZ-CE2 3.93Å; L373-Y377 HydrophobicContact CB-CD2 4.49Å; L373-Y377 HydrophobicContact CD2-CD2 4.01Å; L373-Y377 HydrophobicContact CD2-CE2 3.69Å; L373-Y377 WeakPolarHBondContact O-CB 3.37Å; L373-Y377 WeakPolarHBondContact O-CD2 3.44Å; L373-Y377 PolarHBondContact O-N 3.46Å; H375-Y377 VanDerWaalsContact C-N 3.3Å; H375-Y377 PolarHBondContact O-N 3.29Å; Y377-A379 VanDerWaalsContact C-N 3.26Å; Y377-A379 PolarHBondContact O-N 2.79Å; Y377-A379 VanDerWaalsContact O-N 3.14Å; Y377-L380 HydrophobicContact CG-CD1 4.39Å; Y377-L380 WeakPolarHBondContact O-CA 3.4Å; Y377-L380 WeakPolarHBondContact O-CB 3.05Å; Y377-L380 PolarHBondContact O-N 2.95Å; Y377-R381 PolarHBondContact O-N 3.19Å
378	P	91.1	Very high	94.5	Very high	92 Å²	92	58.3 Å²	58.3	60%	0.597	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-54.9	-36.4	-177.9	-28.6	35.9	0	0	0	114.4	L380 R381	P378-L380 PolarHBondContact O-N 2.88Å; P378-L380 VanDerWaalsContact O-N 3.1Å; P378-R381 WeakPolarHBondContact O-CB 3.43Å; P378-R381 PolarHBondContact O-N 3.22Å; P378-R381 VanDerWaalsContact O-N 3.09Å
379	A	91.6	Very high	94.4	Very high	95 Å²	95	57.8 Å²	57.8	79%	0.785	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-67.2	-6.4	175.7	0	0	0	0	0	114.4	Y377	Y377-A379 VanDerWaalsContact C-N 3.26Å; Y377-A379 PolarHBondContact O-N 2.79Å; Y377-A379 VanDerWaalsContact O-N 3.14Å
380	L	94.5	Very high	94.4	Very high	11 Å²	11	55.9 Å²	55.9	6%	0.058	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-115	-5	174	-61.4	-179.2	0	0	0	112.9	F313 K350 Y377 P378 P382 A383 F384	F313-L380 HydrophobicContact CD1-CD1 3.65Å; F313-L380 HydrophobicContact CE1-CD1 4.27Å; K350-L380 HydrophobicContact CD-CD2 3.49Å; K350-L380 VanDerWaalsContact CD-CD2 3.49Å; K350-L380 VanDerWaalsContact CE-CD2 3.49Å; K350-L380 HydrophobicContact CG-CD2 4.13Å; Y377-L380 HydrophobicContact CG-CD1 4.39Å; Y377-L380 WeakPolarHBondContact O-CA 3.4Å; Y377-L380 WeakPolarHBondContact O-CB 3.05Å; Y377-L380 PolarHBondContact O-N 2.95Å; P378-L380 PolarHBondContact O-N 2.88Å; P378-L380 VanDerWaalsContact O-N 3.1Å; L380-P382 VanDerWaalsContact C-N 3.34Å; L380-A383 WeakPolarHBondContact O-CA 3.36Å; L380-A383 WeakPolarHBondContact O-CB 3.45Å; L380-A383 PolarHBondContact O-N 2.93Å; L380-F384 HydrophobicContact CB-CD2 3.74Å; L380-F384 HydrophobicContact CB-CE2 3.56Å; L380-F384 HydrophobicContact CD1-CE2 4.06Å; L380-F384 HydrophobicContact CG-CE2 4.48Å; L380-F384 WeakPolarHBondContact O-CD2 3.08Å; L380-F384 PolarHBondContact O-N 2.98Å
381	R	95	Very high	94.3	Very high	104 Å²	104	58.5 Å²	58.5	39%	0.392	31%	0.308	S	S	.	.	H	α-helix	trans	-50.1	-46.3	-178.8	-146.3	-176.3	-171	159.5	2.7	112.6	A374 H375 Y377 P378 A383 F384 E385	A374-R381 HydrophobicContact CB-CG 4Å; A374-R381 WeakPolarHBondContact O-CG 3.33Å; H375-R381 PolarHBondContact CE1-NH2 3.49Å; H375-R381 PolarHBondContact NE2-NH2 3.09Å; Y377-R381 PolarHBondContact O-N 3.19Å; P378-R381 WeakPolarHBondContact O-CB 3.43Å; P378-R381 PolarHBondContact O-N 3.22Å; P378-R381 VanDerWaalsContact O-N 3.09Å; R381-A383 PolarHBondContact O-N 2.9Å; R381-A383 VanDerWaalsContact O-N 3.1Å; R381-F384 PolarHBondContact O-N 3.49Å; R381-E385 WeakPolarHBondContact CG-OE1 3.49Å; R381-E385 WeakPolarHBondContact O-CG 3.44Å; R381-E385 PolarHBondContact O-N 3.41Å
382	P	95.9	Very high	94.1	Very high	69 Å²	69	59.6 Å²	59.6	45%	0.448	31%	0.312	S	S	.	.	H	α-helix	trans	-70.6	-6.5	176.9	-18.4	33.9	0	0	0	115.3	L380 E385 R386	L380-P382 VanDerWaalsContact C-N 3.34Å; P382-E385 WeakPolarHBondContact CA-OE2 3.44Å; P382-R386 VanDerWaalsContact O-CZ 3.32Å; P382-R386 PolarHBondContact O-NE 3.08Å; P382-R386 PolarHBondContact O-NH2 2.88Å
383	A	96.2	Very high	93.9	Very high	3 Å²	3	61.4 Å²	61.4	3%	0.025	31%	0.313	C	S	.	.	H	α-helix	trans	-96.7	-34.5	169.9	0	0	0	0	0	111.2	P315 F349 K350 L380 R381 A387	P315-A383 HydrophobicContact CG-CB 3.87Å; F349-A383 HydrophobicContact CB-CB 4.41Å; K350-A383 HydrophobicContact CB-CB 3.88Å; K350-A383 HydrophobicContact CG-CB 4.45Å; L380-A383 WeakPolarHBondContact O-CA 3.36Å; L380-A383 WeakPolarHBondContact O-CB 3.45Å; L380-A383 PolarHBondContact O-N 2.93Å; R381-A383 PolarHBondContact O-N 2.9Å; R381-A383 VanDerWaalsContact O-N 3.1Å; A383-A387 VanDerWaalsContact O-CB 3.28Å; A383-A387 WeakPolarHBondContact O-CB 3.33Å; A383-A387 PolarHBondContact O-N 3.31Å; A383-A387 VanDerWaalsContact O-N 3.08Å
384	F	96.8	Very high	93.6	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-69.7	-39.1	172	-75.4	-69.3	0	0	0	112.5	M279 P315 L365 A370 L373 A374 L380 R381 R386 A387 L388	M279-F384 HydrophobicContact CE-CE1 4.47Å; M279-F384 HydrophobicContact CE-CZ 4.04Å; M279-F384 HydrophobicContact SD-CE1 3.51Å; M279-F384 VanDerWaalsContact SD-CE1 3.51Å; M279-F384 HydrophobicContact SD-CZ 3.69Å; P315-F384 HydrophobicContact CB-CD1 4.07Å; P315-F384 HydrophobicContact CB-CE1 3.99Å; P315-F384 HydrophobicContact CG-CD1 3.97Å; P315-F384 HydrophobicContact CG-CE1 4.01Å; P315-F384 HydrophobicContact CG-CG 4.27Å; P315-F384 HydrophobicContact CG-CZ 4.36Å; L365-F384 HydrophobicContact CD2-CD1 4.23Å; L365-F384 HydrophobicContact CD2-CE1 3.93Å; A370-F384 HydrophobicContact CB-CD1 4.33Å; L373-F384 HydrophobicContact CB-CD1 4.47Å; L373-F384 HydrophobicContact CB-CE1 3.74Å; L373-F384 HydrophobicContact CB-CE2 3.94Å; L373-F384 HydrophobicContact CB-CZ 3.45Å; L373-F384 VanDerWaalsContact CB-CZ 3.45Å; L373-F384 HydrophobicContact CD1-CE1 4.22Å; L373-F384 HydrophobicContact CD1-CZ 4.19Å; L373-F384 HydrophobicContact CG-CZ 4.43Å; L373-F384 WeakPolarHBondContact O-CE2 3.45Å; A374-F384 HydrophobicContact CB-CB 3.59Å; A374-F384 HydrophobicContact CB-CD2 4.11Å; A374-F384 HydrophobicContact CB-CG 4Å; L380-F384 HydrophobicContact CB-CD2 3.74Å; L380-F384 HydrophobicContact CB-CE2 3.56Å; L380-F384 HydrophobicContact CD1-CE2 4.06Å; L380-F384 HydrophobicContact CG-CE2 4.48Å; L380-F384 WeakPolarHBondContact O-CD2 3.08Å; L380-F384 PolarHBondContact O-N 2.98Å; R381-F384 PolarHBondContact O-N 3.49Å; F384-R386 PolarHBondContact O-N 2.83Å; F384-A387 CarbonylContact O-C 3.57Å; F384-A387 WeakPolarHBondContact O-CA 3.36Å; F384-A387 WeakPolarHBondContact O-CB 3.32Å; F384-A387 PolarHBondContact O-N 3.15Å; F384-A387 VanDerWaalsContact O-N 3.09Å; F384-L388 WeakPolarHBondContact O-CB 3.42Å; F384-L388 WeakPolarHBondContact O-CG 3.24Å; F384-L388 PolarHBondContact O-N 3.36Å
385	E	95.5	Very high	93.3	Very high	93 Å²	93	66.6 Å²	66.6	44%	0.435	34%	0.335	S	S	.	.	H	α-helix	trans	-58.9	-47.8	174.3	-72	155.4	-170.2	0	0	111.7	R381 P382 A387 L388 L389	R381-E385 WeakPolarHBondContact CG-OE1 3.49Å; R381-E385 WeakPolarHBondContact O-CG 3.44Å; R381-E385 PolarHBondContact O-N 3.41Å; P382-E385 WeakPolarHBondContact CA-OE2 3.44Å; E385-A387 VanDerWaalsContact C-N 3.26Å; E385-A387 PolarHBondContact O-N 2.92Å; E385-L388 PolarHBondContact O-N 2.86Å; E385-L389 PolarHBondContact O-N 3.13Å
386	R	95.2	Very high	93.3	Very high	80 Å²	80	62.1 Å²	62.1	30%	0.302	31%	0.314	S	S	.	.	H	α-helix	trans	-64.8	-28.8	173.8	-78.4	-178.5	-77.9	157.5	-1.1	113.2	F349 P382 F384 W390 P397	F349-R386 HydrophobicContact CD1-CB 3.94Å; F349-R386 WeakPolarHBondContact CE1-O 3.5Å; F349-R386 VanDerWaalsContact O-CZ 3.29Å; F349-R386 PolarHBondContact O-NH1 3.42Å; F349-R386 VanDerWaalsContact O-NH1 3.14Å; F349-R386 PolarHBondContact O-NH2 3.03Å; P382-R386 VanDerWaalsContact O-CZ 3.32Å; P382-R386 PolarHBondContact O-NE 3.08Å; P382-R386 PolarHBondContact O-NH2 2.88Å; F384-R386 PolarHBondContact O-N 2.83Å; R386-W390 PolarHBondContact O-N 3.3Å; R386-P397 HydrophobicContact CB-CG 4.23Å; R386-P397 HydrophobicContact CG-CG 4.36Å
387	A	95.9	Very high	93	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-77	-30.9	174.4	0	0	0	0	0	113	L277 P315 F349 A383 F384 E385 W390 L391	L277-A387 HydrophobicContact CD1-CB 3.55Å; L277-A387 HydrophobicContact CD2-CB 3.89Å; L277-A387 HydrophobicContact CG-CB 4.34Å; P315-A387 HydrophobicContact CB-CB 3.99Å; P315-A387 HydrophobicContact CG-CB 4.47Å; F349-A387 HydrophobicContact CD1-CB 4.49Å; F349-A387 HydrophobicContact CD2-CB 4.02Å; F349-A387 HydrophobicContact CE2-CB 4.29Å; F349-A387 HydrophobicContact CG-CB 4.14Å; A383-A387 VanDerWaalsContact O-CB 3.28Å; A383-A387 WeakPolarHBondContact O-CB 3.33Å; A383-A387 PolarHBondContact O-N 3.31Å; A383-A387 VanDerWaalsContact O-N 3.08Å; F384-A387 CarbonylContact O-C 3.57Å; F384-A387 WeakPolarHBondContact O-CA 3.36Å; F384-A387 WeakPolarHBondContact O-CB 3.32Å; F384-A387 PolarHBondContact O-N 3.15Å; F384-A387 VanDerWaalsContact O-N 3.09Å; E385-A387 VanDerWaalsContact C-N 3.26Å; E385-A387 PolarHBondContact O-N 2.92Å; A387-W390 PolarHBondContact O-N 3.01Å; A387-L391 PolarHBondContact O-N 3Å; A387-L391 VanDerWaalsContact O-N 3.09Å
388	L	94.7	Very high	92.7	Very high	24 Å²	24	60.4 Å²	60.4	13%	0.126	31%	0.314	C	S	.	.	H	α-helix	trans	-69.9	-41.6	172.7	-74.7	163.9	0	0	0	111	R367 A370 V371 F384 E385 W390 L391 D392	R367-L388 HydrophobicContact CG-CD2 3.99Å; A370-L388 HydrophobicContact CB-CD2 3.84Å; A370-L388 HydrophobicContact CB-CG 4.23Å; V371-L388 HydrophobicContact CG2-CD1 3.95Å; V371-L388 HydrophobicContact CG2-CD2 4.08Å; F384-L388 WeakPolarHBondContact O-CB 3.42Å; F384-L388 WeakPolarHBondContact O-CG 3.24Å; F384-L388 PolarHBondContact O-N 3.36Å; E385-L388 PolarHBondContact O-N 2.86Å; L388-W390 VanDerWaalsContact C-N 3.29Å; L388-W390 PolarHBondContact O-N 2.78Å; L388-L391 HydrophobicContact CD2-CD1 4.4Å; L388-L391 WeakPolarHBondContact O-CA 3.49Å; L388-L391 WeakPolarHBondContact O-CB 3.12Å; L388-L391 PolarHBondContact O-N 3.45Å; L388-D392 VanDerWaalsContact O-CG 3.29Å; L388-D392 PolarHBondContact O-N 2.94Å
389	L	93.6	Very high	92.5	Very high	72 Å²	72	59.7 Å²	59.7	38%	0.377	31%	0.311	S	S	.	.	H	α-helix	trans	-57.1	-39.8	170.8	-73.3	168.3	0	0	0	112.5	E385 L391 R393 H394	E385-L389 PolarHBondContact O-N 3.13Å; L389-L391 VanDerWaalsContact C-N 3.34Å; L389-R393 PolarHBondContact O-N 3.2Å; L389-H394 PolarHBondContact O-N 3.24Å
390	W	93.6	Very high	92.4	Very high	4 Å²	4	56.1 Å²	56.1	2%	0.015	28%	0.278	C	S	.	.	H	α-helix	trans	-67.5	-31.8	172.1	173.2	-103	0	0	0	113.4	G275 V317 F349 R386 A387 L388 H394 F396 L409 W414	G275-W390 PolarHBondContact O-NE1 3.14Å; V317-W390 HydrophobicContact CG2-CZ2 4.41Å; F349-W390 HydrophobicContact CE1-CB 4Å; F349-W390 HydrophobicContact CZ-CB 3.67Å; F349-W390 AromaticContact CZ-CG 3.89Å; F349-W390 HydrophobicContact CZ-CG 3.89Å; R386-W390 PolarHBondContact O-N 3.3Å; A387-W390 PolarHBondContact O-N 3.01Å; L388-W390 VanDerWaalsContact C-N 3.29Å; L388-W390 PolarHBondContact O-N 2.78Å; W390-H394 AromaticContact CE2-ND1 3.67Å; W390-H394 VanDerWaalsContact CE3-C 3.41Å; W390-H394 HydrophobicContact CE3-CB 4.08Å; W390-H394 HydrophobicContact CH2-CB 4.13Å; W390-H394 AromaticContact CH2-ND1 3.57Å; W390-H394 AromaticContact CZ2-ND1 3.4Å; W390-H394 WeakPolarHBondContact CZ2-ND1 3.38Å; W390-H394 HydrophobicContact CZ3-CB 3.79Å; W390-H394 AromaticContact CZ3-ND1 3.99Å; W390-H394 WeakPolarHBondContact CZ3-O 3.4Å; W390-H394 WeakPolarHBondContact O-CA 3.18Å; W390-H394 PolarHBondContact O-N 2.91Å; W390-H394 PolarHBondContact O-ND1 2.67Å; W390-F396 AromaticContact CD2-CD1 3.89Å; W390-F396 HydrophobicContact CD2-CD1 3.89Å; W390-F396 AromaticContact CD2-CE1 3.43Å; W390-F396 HydrophobicContact CD2-CE1 3.43Å; W390-F396 VanDerWaalsContact CD2-CE1 3.43Å; W390-F396 HydrophobicContact CD2-CZ 4.15Å; W390-F396 AromaticContact CE2-CE1 3.85Å; W390-F396 AromaticContact CE3-CD1 3.36Å; W390-F396 HydrophobicContact CE3-CD1 3.36Å; W390-F396 HydrophobicContact CE3-CD2 4.44Å; W390-F396 AromaticContact CE3-CE1 3.22Å; W390-F396 HydrophobicContact CE3-CE1 3.22Å; W390-F396 HydrophobicContact CE3-CE2 4.36Å; W390-F396 AromaticContact CE3-CG 3.99Å; W390-F396 HydrophobicContact CE3-CG 3.99Å; W390-F396 AromaticContact CE3-CZ 3.78Å; W390-F396 HydrophobicContact CE3-CZ 3.78Å; W390-F396 HydrophobicContact CG-CD1 4.46Å; W390-F396 HydrophobicContact CG-CE1 4.13Å; W390-F396 AromaticContact CH2-CE1 3.95Å; W390-F396 HydrophobicContact CH2-CE1 3.95Å; W390-F396 HydrophobicContact CH2-CE2 4.13Å; W390-F396 AromaticContact CH2-CZ 3.64Å; W390-F396 HydrophobicContact CH2-CZ 3.64Å; W390-F396 HydrophobicContact CZ2-CE1 4.11Å; W390-F396 AromaticContact CZ2-CZ 3.99Å; W390-F396 HydrophobicContact CZ2-CZ 3.99Å; W390-F396 AromaticContact CZ3-CD1 3.81Å; W390-F396 HydrophobicContact CZ3-CD1 3.81Å; W390-F396 HydrophobicContact CZ3-CD2 4.09Å; W390-F396 AromaticContact CZ3-CE1 3.49Å; W390-F396 HydrophobicContact CZ3-CE1 3.49Å; W390-F396 VanDerWaalsContact CZ3-CE1 3.49Å; W390-F396 AromaticContact CZ3-CE2 3.82Å; W390-F396 HydrophobicContact CZ3-CE2 3.82Å; W390-F396 HydrophobicContact CZ3-CG 4.09Å; W390-F396 AromaticContact CZ3-CZ 3.51Å; W390-F396 HydrophobicContact CZ3-CZ 3.51Å; W390-L409 HydrophobicContact CH2-CD1 3.46Å; W390-L409 VanDerWaalsContact CH2-CD1 3.46Å; W390-L409 HydrophobicContact CZ2-CD1 3.85Å; W390-L409 HydrophobicContact CZ3-CD1 4.49Å; W390-W414 HydrophobicContact CH2-CZ2 4.11Å; W390-W414 HydrophobicContact CZ2-CH2 4.43Å; W390-W414 HydrophobicContact CZ2-CZ2 4.12Å
391	L	91.2	Very high	92	Very high	56 Å²	56	57.5 Å²	57.5	29%	0.293	29%	0.294	S	S	.	.	H	α-helix	trans	-71.1	-38.7	176.5	-106.6	171.5	0	0	0	112.6	L277 R367 A387 L388 L389	L277-L391 HydrophobicContact CB-CG 4.46Å; L277-L391 HydrophobicContact CD2-CD1 3.48Å; L277-L391 VanDerWaalsContact CD2-CD1 3.48Å; L277-L391 HydrophobicContact CD2-CG 3.82Å; R367-L391 HydrophobicContact CB-CD1 4.26Å; A387-L391 PolarHBondContact O-N 3Å; A387-L391 VanDerWaalsContact O-N 3.09Å; L388-L391 HydrophobicContact CD2-CD1 4.4Å; L388-L391 WeakPolarHBondContact O-CA 3.49Å; L388-L391 WeakPolarHBondContact O-CB 3.12Å; L388-L391 PolarHBondContact O-N 3.45Å; L389-L391 VanDerWaalsContact C-N 3.34Å
392	D	92.2	Very high	91.4	Very high	81 Å²	81	61.4 Å²	61.4	43%	0.433	32%	0.317	S	S	.	.	H	α-helix	trans	-89.4	-53	-173	-60.6	-16.6	0	0	0	111.8	R367 L388	R367-D392 IonicContact CZ-OD1 2.73Å; R367-D392 IonicContact CZ-OD2 3.06Å; R367-D392 IonicContact NE-OD1 3.77Å; R367-D392 IonicContact NH1-OD1 3.07Å; R367-D392 PolarHBondContact NH1-OD1 2.95Å; R367-D392 IonicContact NH1-OD2 3.28Å; R367-D392 PolarHBondContact NH1-OD2 2.87Å; R367-D392 IonicContact NH2-OD2 3.22Å; L388-D392 VanDerWaalsContact O-CG 3.29Å; L388-D392 PolarHBondContact O-N 2.94Å
393	R	89.9	Confident	90.8	Very high	167 Å²	167	63.8 Å²	63.8	63%	0.63	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	-15.1	-171.6	-58.1	-175.3	178.5	-170.4	-3.5	113.4	L389 E395	L389-R393 PolarHBondContact O-N 3.2Å; R393-E395 HydrophobicContact CB-CB 4.36Å; R393-E395 HydrophobicContact CB-CG 3.79Å; R393-E395 VanDerWaalsContact CD-CD 3.42Å; R393-E395 WeakPolarHBondContact CD-OE1 3.28Å; R393-E395 VanDerWaalsContact CD-OE2 3.3Å; R393-E395 WeakPolarHBondContact CD-OE2 3.33Å; R393-E395 IonicContact NH1-OE1 3.2Å; R393-E395 IonicContact NH1-OE2 2.88Å; R393-E395 PolarHBondContact O-N 3.16Å
394	H	88.6	Confident	90.5	Very high	55 Å²	55	63.8 Å²	63.8	26%	0.255	33%	0.326	S	S	.	.			trans	57	31.5	-167	-68.1	-85	0	0	0	113.8	L389 W390 R415	L389-H394 PolarHBondContact O-N 3.24Å; W390-H394 AromaticContact CE2-ND1 3.67Å; W390-H394 VanDerWaalsContact CE3-C 3.41Å; W390-H394 HydrophobicContact CE3-CB 4.08Å; W390-H394 HydrophobicContact CH2-CB 4.13Å; W390-H394 AromaticContact CH2-ND1 3.57Å; W390-H394 AromaticContact CZ2-ND1 3.4Å; W390-H394 WeakPolarHBondContact CZ2-ND1 3.38Å; W390-H394 HydrophobicContact CZ3-CB 3.79Å; W390-H394 AromaticContact CZ3-ND1 3.99Å; W390-H394 WeakPolarHBondContact CZ3-O 3.4Å; W390-H394 WeakPolarHBondContact O-CA 3.18Å; W390-H394 PolarHBondContact O-N 2.91Å; W390-H394 PolarHBondContact O-ND1 2.67Å; H394-R415 VanDerWaalsContact CB-NH2 3.33Å; H394-R415 PolarHBondContact CD2-NH1 3.18Å; H394-R415 PolarHBondContact CD2-NH2 3.19Å; H394-R415 PolarHBondContact NE2-NH1 2.93Å
395	E	87.8	Confident	90.1	Very high	93 Å²	93	66 Å²	66	44%	0.435	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-81.3	134.5	168.8	-70.6	163.8	-175	0	0	109.3	R393	R393-E395 HydrophobicContact CB-CB 4.36Å; R393-E395 HydrophobicContact CB-CG 3.79Å; R393-E395 VanDerWaalsContact CD-CD 3.42Å; R393-E395 WeakPolarHBondContact CD-OE1 3.28Å; R393-E395 VanDerWaalsContact CD-OE2 3.3Å; R393-E395 WeakPolarHBondContact CD-OE2 3.33Å; R393-E395 IonicContact NH1-OE1 3.2Å; R393-E395 IonicContact NH1-OE2 2.88Å; R393-E395 PolarHBondContact O-N 3.16Å
396	F	91.6	Very high	89.7	Confident	25 Å²	25	65 Å²	65	11%	0.11	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-93	153.7	167	-79.3	-39.3	0	0	0	110.5	V317 F349 W390 V398 W400 A404 V405 M408 L409	V317-F396 HydrophobicContact CB-CE1 4.32Å; V317-F396 HydrophobicContact CG1-CE1 3.79Å; V317-F396 HydrophobicContact CG1-CZ 4.1Å; V317-F396 HydrophobicContact CG2-CE1 4.14Å; V317-F396 HydrophobicContact CG2-CZ 4.2Å; F349-F396 HydrophobicContact CZ-CD1 4.42Å; F349-F396 HydrophobicContact CZ-CE1 4.41Å; W390-F396 AromaticContact CD2-CD1 3.89Å; W390-F396 HydrophobicContact CD2-CD1 3.89Å; W390-F396 AromaticContact CD2-CE1 3.43Å; W390-F396 HydrophobicContact CD2-CE1 3.43Å; W390-F396 VanDerWaalsContact CD2-CE1 3.43Å; W390-F396 HydrophobicContact CD2-CZ 4.15Å; W390-F396 AromaticContact CE2-CE1 3.85Å; W390-F396 AromaticContact CE3-CD1 3.36Å; W390-F396 HydrophobicContact CE3-CD1 3.36Å; W390-F396 HydrophobicContact CE3-CD2 4.44Å; W390-F396 AromaticContact CE3-CE1 3.22Å; W390-F396 HydrophobicContact CE3-CE1 3.22Å; W390-F396 HydrophobicContact CE3-CE2 4.36Å; W390-F396 AromaticContact CE3-CG 3.99Å; W390-F396 HydrophobicContact CE3-CG 3.99Å; W390-F396 AromaticContact CE3-CZ 3.78Å; W390-F396 HydrophobicContact CE3-CZ 3.78Å; W390-F396 HydrophobicContact CG-CD1 4.46Å; W390-F396 HydrophobicContact CG-CE1 4.13Å; W390-F396 AromaticContact CH2-CE1 3.95Å; W390-F396 HydrophobicContact CH2-CE1 3.95Å; W390-F396 HydrophobicContact CH2-CE2 4.13Å; W390-F396 AromaticContact CH2-CZ 3.64Å; W390-F396 HydrophobicContact CH2-CZ 3.64Å; W390-F396 HydrophobicContact CZ2-CE1 4.11Å; W390-F396 AromaticContact CZ2-CZ 3.99Å; W390-F396 HydrophobicContact CZ2-CZ 3.99Å; W390-F396 AromaticContact CZ3-CD1 3.81Å; W390-F396 HydrophobicContact CZ3-CD1 3.81Å; W390-F396 HydrophobicContact CZ3-CD2 4.09Å; W390-F396 AromaticContact CZ3-CE1 3.49Å; W390-F396 HydrophobicContact CZ3-CE1 3.49Å; W390-F396 VanDerWaalsContact CZ3-CE1 3.49Å; W390-F396 AromaticContact CZ3-CE2 3.82Å; W390-F396 HydrophobicContact CZ3-CE2 3.82Å; W390-F396 HydrophobicContact CZ3-CG 4.09Å; W390-F396 AromaticContact CZ3-CZ 3.51Å; W390-F396 HydrophobicContact CZ3-CZ 3.51Å; F396-V398 PolarHBondContact O-N 3.04Å; F396-W400 HydrophobicContact CB-CE3 3.95Å; F396-W400 AromaticContact CD1-CE3 3.76Å; F396-W400 HydrophobicContact CD1-CE3 3.76Å; F396-W400 AromaticContact CD1-CZ3 3.48Å; F396-W400 HydrophobicContact CD1-CZ3 3.48Å; F396-W400 VanDerWaalsContact CD1-CZ3 3.48Å; F396-W400 HydrophobicContact CD2-CE3 4.25Å; F396-W400 HydrophobicContact CE1-CE3 4.3Å; F396-W400 AromaticContact CE1-CZ3 3.7Å; F396-W400 HydrophobicContact CE1-CZ3 3.7Å; F396-W400 AromaticContact CG-CE3 3.74Å; F396-W400 HydrophobicContact CG-CE3 3.74Å; F396-W400 AromaticContact CG-CZ3 3.97Å; F396-W400 HydrophobicContact CG-CZ3 3.97Å; F396-W400 HydrophobicContact CZ-CZ3 4.32Å; F396-A404 HydrophobicContact CB-CB 4.34Å; F396-A404 HydrophobicContact CD2-CB 3.85Å; F396-V405 HydrophobicContact CD2-CG2 3.75Å; F396-V405 HydrophobicContact CE2-CG2 4.13Å; F396-M408 HydrophobicContact CD2-CE 4.3Å; F396-M408 HydrophobicContact CE1-CE 4.45Å; F396-M408 HydrophobicContact CE2-CE 3.83Å; F396-M408 HydrophobicContact CZ-CE 3.93Å; F396-L409 HydrophobicContact CE2-CD1 4.13Å; F396-L409 HydrophobicContact CE2-CG 4.43Å; F396-L409 HydrophobicContact CZ-CD1 4.02Å; F396-L409 HydrophobicContact CZ-CG 4.44Å
397	P	89.8	Confident	89.4	Confident	16 Å²	16	65.4 Å²	65.4	10%	0.104	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-59.9	127.4	177.9	-21.2	33.2	0	0	0	110.6	F349 R386 S399 W400	F349-P397 HydrophobicContact CD1-CG 3.89Å; F349-P397 HydrophobicContact CE1-CG 4.11Å; R386-P397 HydrophobicContact CB-CG 4.23Å; R386-P397 HydrophobicContact CG-CG 4.36Å; P397-S399 PolarHBondContact O-N 3.43Å; P397-W400 WeakPolarHBondContact O-CB 3.46Å; P397-W400 PolarHBondContact O-N 3.25Å
398	V	85.3	Confident	89.2	Confident	129 Å²	129	65.5 Å²	65.5	78%	0.782	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-45.7	-34.3	-176.5	-173.9	0	0	0	0	113.2	F396 W400 G401	F396-V398 PolarHBondContact O-N 3.04Å; V398-W400 PolarHBondContact O-N 3.37Å; V398-G401 PolarHBondContact O-N 2.9Å
399	S	87.8	Confident	89.1	Confident	76 Å²	76	64.4 Å²	64.4	53%	0.531	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-56.2	-5.1	171.6	66.2	0	0	0	0	116.9	N352 P397	N352-S399 PolarHBondContact ND2-OG 2.99Å; P397-S399 PolarHBondContact O-N 3.43Å
400	W	90.1	Very high	88.7	Confident	21 Å²	21	61.4 Å²	61.4	8%	0.08	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-100.9	-7.7	175.1	-66.6	8	0	0	0	112.8	V317 R347 F349 N352 F396 P397 V398 A404 M408	V317-W400 HydrophobicContact CG1-CH2 3.87Å; V317-W400 HydrophobicContact CG1-CZ3 3.78Å; R347-W400 HydrophobicContact CB-CH2 4.07Å; R347-W400 HydrophobicContact CB-CZ2 4.43Å; R347-W400 HydrophobicContact CG-CH2 3.94Å; R347-W400 HydrophobicContact CG-CZ2 3.81Å; R347-W400 HydrophobicContact CG-CZ3 4.47Å; F349-W400 HydrophobicContact CD1-CH2 4.25Å; F349-W400 HydrophobicContact CD1-CZ2 4.49Å; F349-W400 HydrophobicContact CE1-CH2 4.16Å; F349-W400 HydrophobicContact CE2-CH2 4.46Å; F349-W400 HydrophobicContact CG-CH2 4.46Å; F349-W400 HydrophobicContact CZ-CH2 4.27Å; N352-W400 PolarHBondContact OD1-NE1 2.94Å; F396-W400 HydrophobicContact CB-CE3 3.95Å; F396-W400 AromaticContact CD1-CE3 3.76Å; F396-W400 HydrophobicContact CD1-CE3 3.76Å; F396-W400 AromaticContact CD1-CZ3 3.48Å; F396-W400 HydrophobicContact CD1-CZ3 3.48Å; F396-W400 VanDerWaalsContact CD1-CZ3 3.48Å; F396-W400 HydrophobicContact CD2-CE3 4.25Å; F396-W400 HydrophobicContact CE1-CE3 4.3Å; F396-W400 AromaticContact CE1-CZ3 3.7Å; F396-W400 HydrophobicContact CE1-CZ3 3.7Å; F396-W400 AromaticContact CG-CE3 3.74Å; F396-W400 HydrophobicContact CG-CE3 3.74Å; F396-W400 AromaticContact CG-CZ3 3.97Å; F396-W400 HydrophobicContact CG-CZ3 3.97Å; F396-W400 HydrophobicContact CZ-CZ3 4.32Å; P397-W400 WeakPolarHBondContact O-CB 3.46Å; P397-W400 PolarHBondContact O-N 3.25Å; V398-W400 PolarHBondContact O-N 3.37Å; W400-A404 HydrophobicContact CB-CB 3.81Å; W400-M408 HydrophobicContact CD2-CE 4.39Å; W400-M408 HydrophobicContact CE3-CE 3.36Å; W400-M408 HydrophobicContact CH2-CE 4.39Å; W400-M408 HydrophobicContact CZ3-CE 3.37Å
401	G	86	Confident	87.5	Confident	39 Å²	39	62.7 Å²	62.7	40%	0.402	34%	0.336	S	S	.	.			trans	90.2	148.1	-173.6	0	0	0	0	0	112.7	V398 N403 A404	V398-G401 PolarHBondContact O-N 2.9Å; G401-N403 VanDerWaalsContact C-N 3.28Å; G401-N403 PolarHBondContact O-N 2.92Å; G401-A404 WeakPolarHBondContact O-CB 3.43Å; G401-A404 PolarHBondContact O-N 3.34Å
402	E	81.3	Confident	86	Confident	186 Å²	186	68.5 Å²	68.5	87%	0.869	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-40	-179.9	-64.7	166	162.2	0	0	111.5	A404	E402-A404 PolarHBondContact O-N 2.78Å; E402-A404 VanDerWaalsContact O-N 3.12Å
403	N	83.7	Confident	84.5	Confident	120 Å²	120	69.9 Å²	69.9	64%	0.642	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	1.4	175.6	-70.7	-39.9	0	0	0	114.5	G401 V405 Q406 T407	G401-N403 VanDerWaalsContact C-N 3.28Å; G401-N403 PolarHBondContact O-N 2.92Å; N403-V405 PolarHBondContact O-N 3.46Å; N403-V405 VanDerWaalsContact O-N 3.1Å; N403-Q406 WeakPolarHBondContact O-CA 3.46Å; N403-Q406 WeakPolarHBondContact O-CB 3.49Å; N403-Q406 PolarHBondContact O-N 3.19Å; N403-T407 PolarHBondContact O-N 2.72Å; N403-T407 PolarHBondContact O-OG1 3.03Å
404	A	89.2	Confident	83.7	Confident	3 Å²	3	62.5 Å²	62.5	3%	0.025	34%	0.338	C	S	.	.	H	α-helix	trans	-56	-31.8	-176.1	0	0	0	0	0	114.1	F396 W400 G401 E402 M408	F396-A404 HydrophobicContact CB-CB 4.34Å; F396-A404 HydrophobicContact CD2-CB 3.85Å; W400-A404 HydrophobicContact CB-CB 3.81Å; G401-A404 WeakPolarHBondContact O-CB 3.43Å; G401-A404 PolarHBondContact O-N 3.34Å; E402-A404 PolarHBondContact O-N 2.78Å; E402-A404 VanDerWaalsContact O-N 3.12Å; A404-M408 WeakPolarHBondContact O-CB 3.37Å; A404-M408 VanDerWaalsContact O-CG 3.31Å; A404-M408 WeakPolarHBondContact O-CG 3.38Å; A404-M408 PolarHBondContact O-N 2.91Å
405	V	89.2	Confident	83	Confident	47 Å²	47	65.8 Å²	65.8	29%	0.285	35%	0.348	S	S	.	.	H	α-helix	trans	-63.8	-48.3	174.8	-178.4	0	0	0	0	110.4	F396 N403 L409	F396-V405 HydrophobicContact CD2-CG2 3.75Å; F396-V405 HydrophobicContact CE2-CG2 4.13Å; N403-V405 PolarHBondContact O-N 3.46Å; N403-V405 VanDerWaalsContact O-N 3.1Å; V405-L409 HydrophobicContact CG1-CD1 4.48Å; V405-L409 WeakPolarHBondContact O-CB 3.22Å; V405-L409 PolarHBondContact O-N 3.31Å
406	Q	87	Confident	81.8	Confident	71 Å²	71	68.5 Å²	68.5	33%	0.332	36%	0.355	S	S	.	.	H	α-helix	trans	-63.9	-48.3	179.1	-171	87.2	-13.1	0	0	111.3	N403 G410	N403-Q406 WeakPolarHBondContact O-CA 3.46Å; N403-Q406 WeakPolarHBondContact O-CB 3.49Å; N403-Q406 PolarHBondContact O-N 3.19Å; Q406-G410 WeakPolarHBondContact CA-O 3.33Å; Q406-G410 CarbonylContact O-C 3.51Å; Q406-G410 VanDerWaalsContact O-C 3.22Å; Q406-G410 VanDerWaalsContact O-CA 3.26Å; Q406-G410 WeakPolarHBondContact O-CA 3.24Å; Q406-G410 PolarHBondContact O-N 3.18Å; Q406-G410 VanDerWaalsContact O-N 3.15Å; Q406-G410 VanDerWaalsContact O-O 3.07Å
407	T	89.1	Confident	80.4	Confident	88 Å²	88	69.2 Å²	69.2	54%	0.54	36%	0.364	S	S	.	.	H	α-helix	trans	-70.5	-33.5	-176.6	-46.5	0	0	0	0	112.9	N403	N403-T407 PolarHBondContact O-N 2.72Å; N403-T407 PolarHBondContact O-OG1 3.03Å
408	M	92.2	Very high	79.1	Confident	3 Å²	3	69.8 Å²	69.8	2%	0.015	36%	0.364	C	S	.	.	H	α-helix	trans	-100.7	-20.9	-172.3	-59.7	-148.3	-52.2	0	0	115.7	V317 V319 L320 A323 R347 F354 F396 W400 A404	V317-M408 HydrophobicContact CG1-CE 4.37Å; V319-M408 WeakPolarHBondContact CA-O 3.41Å; V319-M408 HydrophobicContact CB-CB 4.2Å; V319-M408 WeakPolarHBondContact CB-O 3.46Å; V319-M408 HydrophobicContact CG1-CB 3.79Å; V319-M408 HydrophobicContact CG1-CE 3.74Å; V319-M408 HydrophobicContact CG1-SD 4.04Å; L320-M408 PolarHBondContact N-O 3.06Å; A323-M408 HydrophobicContact CB-CB 4.16Å; A323-M408 HydrophobicContact CB-CG 4.09Å; R347-M408 HydrophobicContact CB-CE 4.42Å; R347-M408 HydrophobicContact CB-SD 4.45Å; R347-M408 WeakPolarHBondContact CD-SD 3.29Å; R347-M408 PolarHBondContact NH1-SD 3.26Å; F354-M408 HydrophobicContact CE1-SD 3.74Å; F354-M408 HydrophobicContact CZ-SD 3.67Å; F396-M408 HydrophobicContact CD2-CE 4.3Å; F396-M408 HydrophobicContact CE1-CE 4.45Å; F396-M408 HydrophobicContact CE2-CE 3.83Å; F396-M408 HydrophobicContact CZ-CE 3.93Å; W400-M408 HydrophobicContact CD2-CE 4.39Å; W400-M408 HydrophobicContact CE3-CE 3.36Å; W400-M408 HydrophobicContact CH2-CE 4.39Å; W400-M408 HydrophobicContact CZ3-CE 3.37Å; A404-M408 WeakPolarHBondContact O-CB 3.37Å; A404-M408 VanDerWaalsContact O-CG 3.31Å; A404-M408 WeakPolarHBondContact O-CG 3.38Å; A404-M408 PolarHBondContact O-N 2.91Å
409	L	91.5	Very high	78	Confident	0 Å²	0	72 Å²	72	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-117.3	-4.8	-179.8	-55.2	176.9	0	0	0	112.7	L274 V319 W390 F396 V405 W414	L274-L409 HydrophobicContact CD2-CD2 3.75Å; V319-L409 HydrophobicContact CG1-CD2 4.29Å; W390-L409 HydrophobicContact CH2-CD1 3.46Å; W390-L409 VanDerWaalsContact CH2-CD1 3.46Å; W390-L409 HydrophobicContact CZ2-CD1 3.85Å; W390-L409 HydrophobicContact CZ3-CD1 4.49Å; F396-L409 HydrophobicContact CE2-CD1 4.13Å; F396-L409 HydrophobicContact CE2-CG 4.43Å; F396-L409 HydrophobicContact CZ-CD1 4.02Å; F396-L409 HydrophobicContact CZ-CG 4.44Å; V405-L409 HydrophobicContact CG1-CD1 4.48Å; V405-L409 WeakPolarHBondContact O-CB 3.22Å; V405-L409 PolarHBondContact O-N 3.31Å; L409-W414 HydrophobicContact CB-CB 4.08Å; L409-W414 HydrophobicContact CB-CD2 3.98Å; L409-W414 HydrophobicContact CB-CG 3.73Å; L409-W414 HydrophobicContact CD1-CD2 3.99Å; L409-W414 HydrophobicContact CD1-CG 4.41Å; L409-W414 HydrophobicContact CD1-CH2 4.32Å; L409-W414 HydrophobicContact CD1-CZ2 3.77Å; L409-W414 WeakPolarHBondContact O-CB 3.46Å
410	G	84.9	Confident	76.5	Confident	9 Å²	9	77 Å²	77	9%	0.093	37%	0.365	C	S	.	.			trans	90.8	-174.8	-172.4	0	0	0	0	0	111.3	L320 Q406	L320-G410 VanDerWaalsContact CD1-N 3.3Å; Q406-G410 WeakPolarHBondContact CA-O 3.33Å; Q406-G410 CarbonylContact O-C 3.51Å; Q406-G410 VanDerWaalsContact O-C 3.22Å; Q406-G410 VanDerWaalsContact O-CA 3.26Å; Q406-G410 WeakPolarHBondContact O-CA 3.24Å; Q406-G410 PolarHBondContact O-N 3.18Å; Q406-G410 VanDerWaalsContact O-N 3.15Å; Q406-G410 VanDerWaalsContact O-O 3.07Å
411	T	69.3	Low	74.7	Confident	32 Å²	32	77.3 Å²	77.3	20%	0.196	37%	0.371	C	S	.	.	S	Bend	trans	-45.8	151.2	178.9	38.6	0	0	0	0	113.6	G259 N413 W414	G259-T411 WeakPolarHBondContact O-CB 3.3Å; G259-T411 WeakPolarHBondContact O-CG2 3.37Å; G259-T411 PolarHBondContact O-N 3.5Å; G259-T411 PolarHBondContact O-OG1 3.24Å; T411-N413 CarbonylContact O-C 3.47Å; T411-N413 PolarHBondContact O-N 2.82Å; T411-W414 PolarHBondContact O-N 3.33Å
412	K	58.8	Low	72.7	Confident	177 Å²	177	82.2 Å²	82.2	77%	0.77	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-34.9	-35.2	179.9	-59.3	-172.3	179	-179.6	0	114.7	W414	K412-W414 VanDerWaalsContact C-N 3.32Å; K412-W414 PolarHBondContact O-N 3.31Å
413	N	62.4	Low	71.1	Confident	111 Å²	111	78.5 Å²	78.5	59%	0.594	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	18.4	175.7	-73.5	-21.4	0	0	0	116.7	T411 R415 Y416 S417	T411-N413 CarbonylContact O-C 3.47Å; T411-N413 PolarHBondContact O-N 2.82Å; N413-R415 PolarHBondContact O-N 2.99Å; N413-R415 VanDerWaalsContact O-N 3.11Å; N413-Y416 WeakPolarHBondContact O-CA 3.3Å; N413-Y416 VanDerWaalsContact O-CB 3.25Å; N413-Y416 WeakPolarHBondContact O-CB 3.45Å; N413-Y416 PolarHBondContact O-N 2.88Å; N413-S417 PolarHBondContact O-N 3.04Å
414	W	72.8	Confident	69	Low	12 Å²	12	75.9 Å²	75.9	5%	0.045	36%	0.355	C	S	.	.	H	α-helix	trans	-53.9	-34.6	176.1	78.8	-92.9	0	0	0	113	L274 W390 L409 T411 K412 Y416 R418	L274-W414 WeakPolarHBondContact O-CZ3 3.4Å; W390-W414 HydrophobicContact CH2-CZ2 4.11Å; W390-W414 HydrophobicContact CZ2-CH2 4.43Å; W390-W414 HydrophobicContact CZ2-CZ2 4.12Å; L409-W414 HydrophobicContact CB-CB 4.08Å; L409-W414 HydrophobicContact CB-CD2 3.98Å; L409-W414 HydrophobicContact CB-CG 3.73Å; L409-W414 HydrophobicContact CD1-CD2 3.99Å; L409-W414 HydrophobicContact CD1-CG 4.41Å; L409-W414 HydrophobicContact CD1-CH2 4.32Å; L409-W414 HydrophobicContact CD1-CZ2 3.77Å; L409-W414 WeakPolarHBondContact O-CB 3.46Å; T411-W414 PolarHBondContact O-N 3.33Å; K412-W414 VanDerWaalsContact C-N 3.32Å; K412-W414 PolarHBondContact O-N 3.31Å; W414-Y416 VanDerWaalsContact C-N 3.31Å; W414-Y416 PolarHBondContact O-N 3.2Å; W414-R418 VanDerWaalsContact O-CB 3.22Å; W414-R418 WeakPolarHBondContact O-CB 3.08Å; W414-R418 PolarHBondContact O-N 3.44Å
415	R	72.9	Confident	66.6	Low	123 Å²	123	76.7 Å²	76.7	46%	0.464	36%	0.362	S	S	.	.	H	α-helix	trans	-62.9	-36	173	-57.5	-173.7	-164.1	-117.1	7	112.3	H394 N413 R419	H394-R415 VanDerWaalsContact CB-NH2 3.33Å; H394-R415 PolarHBondContact CD2-NH1 3.18Å; H394-R415 PolarHBondContact CD2-NH2 3.19Å; H394-R415 PolarHBondContact NE2-NH1 2.93Å; N413-R415 PolarHBondContact O-N 2.99Å; N413-R415 VanDerWaalsContact O-N 3.11Å; R415-R419 WeakPolarHBondContact O-CG 3.43Å; R415-R419 PolarHBondContact O-N 2.86Å
416	Y	63.4	Low	64.2	Low	150 Å²	150	76.6 Å²	76.6	59%	0.588	36%	0.363	S	S	*	.	H	α-helix	trans	-73	-48.8	178.3	-168.3	-91.4	0	0	0	110.9	N413 W414 R418 R419 R420	N413-Y416 WeakPolarHBondContact O-CA 3.3Å; N413-Y416 VanDerWaalsContact O-CB 3.25Å; N413-Y416 WeakPolarHBondContact O-CB 3.45Å; N413-Y416 PolarHBondContact O-N 2.88Å; W414-Y416 VanDerWaalsContact C-N 3.31Å; W414-Y416 PolarHBondContact O-N 3.2Å; Y416-R418 PolarHBondContact O-N 3.02Å; Y416-R419 CarbonylContact O-C 3.55Å; Y416-R419 WeakPolarHBondContact O-CA 3.13Å; Y416-R419 WeakPolarHBondContact O-CB 3.41Å; Y416-R419 PolarHBondContact O-N 2.83Å; Y416-R420 PolarHBondContact O-N 3.11Å
417	S	62.1	Low	61.7	Low	41 Å²	41	78.5 Å²	78.5	29%	0.287	38%	0.376	S	S	.	.	H	α-helix	trans	-57.6	-36.9	173	-57.7	0	0	0	0	111.5	N413 R420 S421	N413-S417 PolarHBondContact O-N 3.04Å; S417-R420 CarbonylContact O-C 3.57Å; S417-R420 WeakPolarHBondContact O-CB 3.49Å; S417-R420 PolarHBondContact O-N 2.97Å; S417-S421 PolarHBondContact O-N 3.14Å; S417-S421 PolarHBondContact O-OG 2.93Å
418	R	62.6	Low	59.1	Low	28 Å²	28	83 Å²	83	11%	0.106	39%	0.388	C	S	.	.	H	α-helix	trans	-67.8	-37	171.9	-171.6	-169.5	-164.8	154.1	26.5	114	R272 L273 L274 W414 Y416 R420 R422	R272-R418 PolarHBondContact O-NH2 3.34Å; L273-R418 PolarHBondContact O-NH2 2.77Å; L274-R418 PolarHBondContact O-NH1 3.14Å; L274-R418 PolarHBondContact O-NH2 2.95Å; W414-R418 VanDerWaalsContact O-CB 3.22Å; W414-R418 WeakPolarHBondContact O-CB 3.08Å; W414-R418 PolarHBondContact O-N 3.44Å; Y416-R418 PolarHBondContact O-N 3.02Å; R418-R420 VanDerWaalsContact C-N 3.33Å; R418-R422 VanDerWaalsContact O-CG 3.3Å; R418-R422 WeakPolarHBondContact O-CG 3.16Å; R418-R422 PolarHBondContact O-N 3.49Å; R418-R422 VanDerWaalsContact O-N 3.11Å
419	R	62.4	Low	56.1	Low	175 Å²	175	87 Å²	87	66%	0.66	41%	0.413	S	S	*	.	H	α-helix	trans	-61.9	-45	169.6	-78.7	179	176.6	174.1	-1	109.4	R415 Y416 S421 R422 Q423	R415-R419 WeakPolarHBondContact O-CG 3.43Å; R415-R419 PolarHBondContact O-N 2.86Å; Y416-R419 CarbonylContact O-C 3.55Å; Y416-R419 WeakPolarHBondContact O-CA 3.13Å; Y416-R419 WeakPolarHBondContact O-CB 3.41Å; Y416-R419 PolarHBondContact O-N 2.83Å; R419-S421 PolarHBondContact O-N 2.74Å; R419-R422 CarbonylContact O-C 3.24Å; R419-R422 WeakPolarHBondContact O-CA 3.27Å; R419-R422 WeakPolarHBondContact O-CB 3.48Å; R419-R422 PolarHBondContact O-N 2.75Å; R419-Q423 PolarHBondContact O-N 2.98Å; R419-Q423 PolarHBondContact O-OE1 3Å
420	R	55.6	Low	53	Low	180 Å²	180	93 Å²	93	68%	0.679	45%	0.445	S	S	*	.	H	α-helix	trans	-62.5	-38.6	176.5	-154.6	175.6	-171.5	-179.8	3.3	113.3	Y416 S417 R418 R422 Q423 A424	Y416-R420 PolarHBondContact O-N 3.11Å; S417-R420 CarbonylContact O-C 3.57Å; S417-R420 WeakPolarHBondContact O-CB 3.49Å; S417-R420 PolarHBondContact O-N 2.97Å; R418-R420 VanDerWaalsContact C-N 3.33Å; R420-R422 VanDerWaalsContact C-N 3.26Å; R420-R422 PolarHBondContact O-N 3.2Å; R420-Q423 PolarHBondContact O-N 3.16Å; R420-A424 VanDerWaalsContact O-CB 3.27Å; R420-A424 WeakPolarHBondContact O-CB 3.3Å; R420-A424 PolarHBondContact O-N 3.1Å
421	S	52.7	Low	50.4	Low	29 Å²	29	97.9 Å²	97.9	20%	0.203	48%	0.478	C	S	.	.	H	α-helix	trans	-74.7	-8.2	170.7	-55.6	0	0	0	0	114.4	S417 R419 A425	S417-S421 PolarHBondContact O-N 3.14Å; S417-S421 PolarHBondContact O-OG 2.93Å; R419-S421 PolarHBondContact O-N 2.74Å; S421-A425 WeakPolarHBondContact O-CB 3.24Å
422	R	43.9	Very low	48.5	Very low	141 Å²	141	102.4 Å²	102.4	53%	0.532	50%	0.499	S	S	.	.	H	α-helix	trans	-91.4	-38.4	168.3	-72.1	172.3	107.4	-170	-2	110.8	R418 R419 R420 A425 S426	R418-R422 VanDerWaalsContact O-CG 3.3Å; R418-R422 WeakPolarHBondContact O-CG 3.16Å; R418-R422 PolarHBondContact O-N 3.49Å; R418-R422 VanDerWaalsContact O-N 3.11Å; R419-R422 CarbonylContact O-C 3.24Å; R419-R422 WeakPolarHBondContact O-CA 3.27Å; R419-R422 WeakPolarHBondContact O-CB 3.48Å; R419-R422 PolarHBondContact O-N 2.75Å; R420-R422 VanDerWaalsContact C-N 3.26Å; R420-R422 PolarHBondContact O-N 3.2Å; R422-A425 CarbonylContact O-C 3.51Å; R422-A425 PolarHBondContact O-N 2.88Å; R422-S426 PolarHBondContact O-N 3.35Å; R422-S426 PolarHBondContact O-OG 3.42Å
423	Q	48.3	Very low	47	Very low	109 Å²	109	98 Å²	98	51%	0.509	48%	0.484	S	S	.	.	H	α-helix	trans	-65	-56.6	171.3	-72.2	163.3	-77.7	0	0	110.3	R419 R420 A425 S426 D427	R419-Q423 PolarHBondContact O-N 2.98Å; R419-Q423 PolarHBondContact O-OE1 3Å; R420-Q423 PolarHBondContact O-N 3.16Å; Q423-A425 PolarHBondContact O-N 3.3Å; Q423-S426 WeakPolarHBondContact CA-OG 3.49Å; Q423-S426 CarbonylContact O-C 3.59Å; Q423-S426 WeakPolarHBondContact O-CA 3.09Å; Q423-S426 PolarHBondContact O-N 2.95Å; Q423-S426 PolarHBondContact O-OG 2.97Å; Q423-D427 WeakPolarHBondContact O-CB 3.44Å; Q423-D427 PolarHBondContact O-N 3.14Å; Q423-D427 VanDerWaalsContact O-OD2 3.05Å
424	A	39.6	Very low	45.3	Very low	65 Å²	65	97.5 Å²	97.5	54%	0.537	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	0.5	172.8	0	0	0	0	0	115.5	R420	R420-A424 VanDerWaalsContact O-CB 3.27Å; R420-A424 WeakPolarHBondContact O-CB 3.3Å; R420-A424 PolarHBondContact O-N 3.1Å
425	A	37.9	Very low	43.2	Very low	20 Å²	20	102.9 Å²	102.9	17%	0.165	53%	0.529	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.9	15.4	171.2	0	0	0	0	0	113.8	R272 S421 R422 Q423	R272-A425 VanDerWaalsContact NH2-CB 3.31Å; R272-A425 PolarHBondContact NH2-O 3.46Å; R272-A425 VanDerWaalsContact NH2-O 3.08Å; S421-A425 WeakPolarHBondContact O-CB 3.24Å; R422-A425 CarbonylContact O-C 3.51Å; R422-A425 PolarHBondContact O-N 2.88Å; Q423-A425 PolarHBondContact O-N 3.3Å
426	S	37.9	Very low	42	Very low	45 Å²	45	102 Å²	102	32%	0.315	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-39.3	150.1	49	0	0	0	0	110.1	R422 Q423 F428 T429 D430	R422-S426 PolarHBondContact O-N 3.35Å; R422-S426 PolarHBondContact O-OG 3.42Å; Q423-S426 WeakPolarHBondContact CA-OG 3.49Å; Q423-S426 CarbonylContact O-C 3.59Å; Q423-S426 WeakPolarHBondContact O-CA 3.09Å; Q423-S426 PolarHBondContact O-N 2.95Å; Q423-S426 PolarHBondContact O-OG 2.97Å; S426-F428 PolarHBondContact O-N 3.29Å; S426-T429 WeakPolarHBondContact CA-OG1 3.39Å; S426-T429 CarbonylContact O-C 3.55Å; S426-T429 WeakPolarHBondContact O-CA 3.45Å; S426-T429 PolarHBondContact O-N 3.44Å; S426-T429 PolarHBondContact O-OG1 2.93Å; S426-D430 PolarHBondContact O-N 3.09Å
427	D	35.4	Very low	40.5	Very low	110 Å²	110	102.7 Å²	102.7	59%	0.588	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	1.6	179.4	-42	-15.2	0	0	0	112.4	Q423	Q423-D427 WeakPolarHBondContact O-CB 3.44Å; Q423-D427 PolarHBondContact O-N 3.14Å; Q423-D427 VanDerWaalsContact O-OD2 3.05Å
428	F	34.7	Very low	39.3	Very low	183 Å²	183	105.3 Å²	105.3	80%	0.803	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.6	15.6	169	-149.8	-96.3	0	0	0	112.1	S426	S426-F428 PolarHBondContact O-N 3.29Å
429	T	29.7	Very low	38.1	Very low	88 Å²	88	110.2 Å²	110.2	54%	0.54	60%	0.598	S	S	.	*	S	Bend	trans	-135.5	7.5	174.3	50.3	0	0	0	0	113.5	S426	S426-T429 WeakPolarHBondContact CA-OG1 3.39Å; S426-T429 CarbonylContact O-C 3.55Å; S426-T429 WeakPolarHBondContact O-CA 3.45Å; S426-T429 PolarHBondContact O-N 3.44Å; S426-T429 PolarHBondContact O-OG1 2.93Å
430	D	26.8	Very low	36.9	Very low	126 Å²	126	110 Å²	110	67%	0.674	60%	0.602	S	S	*	*	S	Bend	trans	-129.3	130.2	168.8	-78.2	-62.7	0	0	0	107.8	S426	S426-D430 PolarHBondContact O-N 3.09Å
431	S	28.5	Very low	36.1	Very low	111 Å²	111	109 Å²	109	78%	0.776	60%	0.604	S	S	*	*	S	Bend	trans	76.3	119	-153	-162.4	0	0	0	0	112.8
432	I	29.3	Very low	35.2	Very low	127 Å²	127	112.7 Å²	112.7	65%	0.651	63%	0.626	S	S	*	*	S	Bend	cis	-122.5	114.1	10.7	-59	166.7	0	0	0	109.5
433	N	27.7	Very low	34.9	Very low	85 Å²	85	115.4 Å²	115.4	46%	0.455	64%	0.636	S	S	.	*			trans	160.6	91.9	136.1	-88.2	-36	0	0	0	113.5	N1374	N433-N1374 PolarHBondContact ND2-ND2 3.37Å; N433-N1374 VanDerWaalsContact ND2-ND2 3.2Å; N433-N1374 PolarHBondContact ND2-OD1 3.34Å
434	S	27.6	Very low	34.2	Very low	99 Å²	99	111 Å²	111	69%	0.692	62%	0.618	S	S	*	*				-170.4	126.5	122.7	53.5	0	0	0	0	110.7
435	S	29	Very low	34	Very low	125 Å²	125	110 Å²	110	87%	0.874	61%	0.608	S	S	*	*			trans	-120	148.4	153.6	-104.3	0	0	0	0	107.7
436	P	46.9	Very low	33.8	Very low	106 Å²	106	112.3 Å²	112.3	69%	0.688	62%	0.623	S	S	*	*				-131.2	-166.1	-123.4	41.1	-26.9	0	0	0	112.6
437	L	32.9	Very low	33.4	Very low	163 Å²	163	115.1 Å²	115.1	85%	0.853	64%	0.642	S	S	*	*				-171.9	175.2	125.2	-102.4	168.3	0	0	0	112.6
438	S	36	Very low	33.1	Very low	96 Å²	96	114.6 Å²	114.6	67%	0.671	65%	0.647	S	S	*	*			trans	67	99.7	173.6	-117.3	0	0	0	0	116.4
439	L	36.5	Very low	32.9	Very low	132 Å²	132	111 Å²	111	69%	0.691	65%	0.645	S	S	*	*				68.3	133.9	79.2	-63.9	164.4	0	0	0	112.1
440	K	38.4	Very low	33	Very low	170 Å²	170	112.2 Å²	112.2	74%	0.739	66%	0.657	S	S	*	*			cis	-139	138.1	1.9	-106.9	158.1	176.9	175.1	0	106.7
441	H	37.8	Very low	33	Very low	159 Å²	159	115.5 Å²	115.5	74%	0.736	67%	0.668	S	S	*	*				62.6	144.4	85.8	-76	-2.6	0	0	0	113.5
442	T	35.4	Very low	32.9	Very low	106 Å²	106	115.2 Å²	115.2	65%	0.65	67%	0.672	S	S	*	*			cis	-176.1	170.7	5.4	26.7	0	0	0	0	106
443	R	36.4	Very low	32.8	Very low	198 Å²	198	114 Å²	114	75%	0.747	68%	0.675	S	S	*	*			cis	-166.9	-172.6	-17.1	-108.1	-172.4	142.1	148.8	-7.1	106.6
444	A	34.9	Very low	32.8	Very low	17 Å²	17	120.3 Å²	120.3	14%	0.14	69%	0.693	C	S	.	*				-174.9	144.4	-55.8	0	0	0	0	0	116.6	L1438 K1439	A444-L1438 HydrophobicContact CB-CD2 3.66Å; A444-K1439 VanDerWaalsContact C-N 3.35Å; A444-K1439 CarbonylContact C-O 3.57Å; A444-K1439 VanDerWaalsContact C-O 3.24Å; A444-K1439 PolarHBondContact N-O 3.09Å
445	S	34.2	Very low	32.7	Very low	45 Å²	45	120.5 Å²	120.5	32%	0.315	69%	0.694	S	S	.	*			trans	59.2	167.9	132.2	71.9	0	0	0	0	124.1	K1439	S445-K1439 WeakPolarHBondContact O-CD 3.25Å
446	S	33.2	Very low	32.8	Very low	68 Å²	68	120 Å²	120	48%	0.476	69%	0.687	S	S	.	*			trans	79.7	148.7	137.2	51	0	0	0	0	118.4	K1439	S446-K1439 PolarHBondContact O-NZ 2.72Å
447	S	31.1	Very low	31.8	Very low	103 Å²	103	122.3 Å²	122.3	72%	0.72	69%	0.694	S	S	*	*			cis	-134	164.7	15.5	-42.2	0	0	0	0	110.7
448	S	29.1	Very low	31.7	Very low	99 Å²	99	120 Å²	120	69%	0.692	69%	0.687	S	S	*	*			cis	72.3	147.7	20.7	109.3	0	0	0	0	114.1
449	S	29.5	Very low	31.2	Very low	108 Å²	108	122 Å²	122	76%	0.755	70%	0.699	S	S	*	*			cis	180	141.4	-5.5	37.4	0	0	0	0	112.3
450	S	31	Very low	30.9	Very low	113 Å²	113	126.1 Å²	126.1	79%	0.79	71%	0.706	S	S	*	*			trans	-163	138.9	158.1	42.6	0	0	0	0	107.7
451	E	26.6	Very low	30.3	Very low	196 Å²	196	121.5 Å²	121.5	92%	0.916	71%	0.706	S	S	*	*				76.3	109.4	52.4	-72.4	-152.6	132.3	0	0	115.5
452	A	27.5	Very low	30.1	Very low	104 Å²	104	121 Å²	121	86%	0.86	71%	0.708	S	S	*	*			trans	-170.2	151.1	142.5	0	0	0	0	0	112.7
453	S	27.8	Very low	29.9	Very low	103 Å²	103	122.3 Å²	122.3	72%	0.72	71%	0.71	S	S	*	*			trans	-87.7	-177.4	154.5	61.4	0	0	0	0	108.6
454	R	27.3	Very low	29.4	Very low	217 Å²	217	120.6 Å²	120.6	82%	0.819	71%	0.71	S	S	*	*			cis	-172.2	174.2	35.1	-145.6	174.1	-164.7	-179.6	3.6	108.8
455	S	26.1	Very low	29.3	Very low	102 Å²	102	127.1 Å²	127.1	71%	0.713	74%	0.743	S	S	*	*			trans	-75.6	154.1	157.4	-59.9	0	0	0	0	110.6
456	P	29.5	Very low	29.7	Very low	114 Å²	114	130 Å²	130	74%	0.74	76%	0.763	S	S	*	*	S	Bend	trans	-70.4	175.7	163.9	32.8	-35.8	0	0	0	111.7
457	N	25.6	Very low	29.6	Very low	155 Å²	155	139 Å²	139	83%	0.829	79%	0.787	S	S	*	*			trans	83.8	93	179	-59.5	5.2	0	0	0	115.5
458	T	32.2	Very low	29.6	Very low	114 Å²	114	137.9 Å²	137.9	70%	0.699	79%	0.791	S	S	*	*			trans	-129.5	102.1	151.3	-66.1	0	0	0	0	107	R460	T458-R460 HydrophobicContact CG2-CB 4.32Å; T458-R460 PolarHBondContact O-N 2.86Å
459	C	24.7	Very low	29.8	Very low	138 Å²	138	144.9 Å²	144.9	93%	0.932	80%	0.802	S	S	*	*			trans	-76.2	107.6	162	-69.6	0	0	0	0	107.7
460	R	30.8	Very low	30.4	Very low	219 Å²	219	143.9 Å²	143.9	83%	0.826	79%	0.793	S	S	*	*			trans	-134.4	96.3	159.9	-159.4	178.9	-158.6	-140.2	3	108	T458	T458-R460 HydrophobicContact CG2-CB 4.32Å; T458-R460 PolarHBondContact O-N 2.86Å
461	G	26.5	Very low	30.4	Very low	73 Å²	73	144.5 Å²	144.5	75%	0.753	79%	0.792	S	S	*	*			trans	-69.3	131.9	173.9	0	0	0	0	0	110.4
462	L	32.2	Very low	30.6	Very low	149 Å²	149	143.9 Å²	143.9	78%	0.78	79%	0.786	S	S	*	*			trans	-135.3	81.1	151.5	-101.1	171.3	0	0	0	107.7
463	I	31.4	Very low	30.5	Very low	133 Å²	133	145.9 Å²	145.9	68%	0.682	78%	0.782	S	S	*	*			trans	39.4	102.9	138.6	-55.3	177	0	0	0	116.1
464	Q	26.6	Very low	30.4	Very low	163 Å²	163	147.8 Å²	147.8	76%	0.762	78%	0.783	S	S	*	*				36.8	120.1	124.1	-57.8	165	-23.3	0	0	116.4
465	N	32	Very low	30.2	Very low	153 Å²	153	144.5 Å²	144.5	82%	0.818	78%	0.777	S	S	*	*				-163.6	159.3	58	-82.2	-64.2	0	0	0	110.3
466	S	42.1	Very low	30.2	Very low	105 Å²	105	147.3 Å²	147.3	73%	0.734	78%	0.779	S	S	*	*			cis	-142	-178.7	-4.2	58.3	0	0	0	0	109.8	G468	S466-G468 PolarHBondContact O-N 2.88Å; S466-G468 VanDerWaalsContact O-N 3.13Å
467	R	32.4	Very low	30	Very low	259 Å²	259	146.7 Å²	146.7	98%	0.977	78%	0.777	S	S	*	*			trans	-39.4	110.6	-171	-65.7	174.9	176.6	163.6	-2.1	114.1
468	G	31.6	Very low	30.1	Very low	78 Å²	78	145.8 Å²	145.8	80%	0.804	78%	0.778	S	S	*	*			trans	-100	164.8	-164.1	0	0	0	0	0	118.2	S466	S466-G468 PolarHBondContact O-N 2.88Å; S466-G468 VanDerWaalsContact O-N 3.13Å
469	R	33.3	Very low	29.8	Very low	246 Å²	246	151.7 Å²	151.7	93%	0.928	79%	0.787	S	S	*	*			trans	-137.4	-169.4	174	-131.9	-159.2	163.5	-167.5	-2	108.6
470	P	41.9	Very low	29.9	Very low	88 Å²	88	155.1 Å²	155.1	57%	0.571	79%	0.786	S	S	*	*			trans	-130.7	-174.1	-132.9	38.7	-16.5	0	0	0	117.3
471	T	29.4	Very low	29.8	Very low	126 Å²	126	155.8 Å²	155.8	77%	0.773	79%	0.789	S	S	*	*			trans	79	154.1	157.4	67.8	0	0	0	0	122
472	K	30.8	Very low	30.4	Very low	182 Å²	182	157.1 Å²	157.1	79%	0.791	78%	0.784	S	S	*	*			trans	87.3	108	156.7	-73.4	-176.2	175	-176.4	0	122.2
473	L	25.9	Very low	30.2	Very low	147 Å²	147	160.7 Å²	160.7	77%	0.77	79%	0.787	S	S	*	*				87	135.9	120.5	-73.2	168.5	0	0	0	124.5
474	L	26.4	Very low	30.2	Very low	142 Å²	142	162.4 Å²	162.4	74%	0.743	79%	0.792	S	S	*	*			trans	91.6	108.1	140.5	-125.4	68.6	0	0	0	124.1
475	E	23.2	Very low	30.4	Very low	148 Å²	148	158.2 Å²	158.2	69%	0.692	78%	0.781	S	S	*	*			trans	54.4	130.5	133.2	-65.6	-164.7	132.3	0	0	128
476	H	25.4	Very low	30.6	Very low	161 Å²	161	158 Å²	158	75%	0.745	78%	0.78	S	S	*	*				37.8	123.3	127.2	-59.9	-45.1	0	0	0	125.3
477	S	26	Very low	30.1	Very low	102 Å²	102	159.3 Å²	159.3	71%	0.713	77%	0.772	S	S	*	*				54.7	125.4	113.3	-139.9	0	0	0	0	119.7
478	T	26.7	Very low	30.1	Very low	136 Å²	136	151.6 Å²	151.6	83%	0.834	75%	0.754	S	S	*	*				-171.4	172.4	69.5	37.4	0	0	0	0	113.9
479	R	26.5	Very low	30.1	Very low	238 Å²	238	155 Å²	155	90%	0.898	75%	0.749	S	S	*	*			trans	-85.6	132.6	-178.2	167.5	-154.6	-161.3	179.7	9.9	114.3
480	K	27.7	Very low	29.9	Very low	210 Å²	210	146.7 Å²	146.7	91%	0.913	74%	0.74	S	S	*	*			trans	-161.5	161.2	149.6	-110.9	157.7	-171.9	176.2	0	116.4
481	R	28.7	Very low	29.4	Very low	233 Å²	233	144.6 Å²	144.6	88%	0.879	73%	0.727	S	S	*	*			trans	-68.7	-177.5	176.9	-82.7	172.8	162.6	-178.8	-6.1	113.8
482	P	38.8	Very low	29.3	Very low	101 Å²	101	146.6 Å²	146.6	66%	0.656	72%	0.721	S	S	*	*			cis	-141.7	-164.1	-38.8	40.2	-21.9	0	0	0	113
483	R	28	Very low	29.1	Very low	223 Å²	223	143 Å²	143	84%	0.842	72%	0.719	S	S	*	*			trans	68.2	156.3	163.2	-71.8	-179.9	177.4	164.7	-3.4	115.7
484	Q	31.5	Very low	29.2	Very low	169 Å²	169	141.4 Å²	141.4	79%	0.79	72%	0.72	S	S	*	*			cis	-141	-170.4	-30.1	-137.3	161.6	-59.2	0	0	109
485	S	29.4	Very low	29.3	Very low	76 Å²	76	139.4 Å²	139.4	53%	0.531	72%	0.718	S	S	.	*			trans	-77.5	150.8	-175.8	53.3	0	0	0	0	113.9
486	D	37.9	Very low	29.6	Very low	147 Å²	147	143.4 Å²	143.4	79%	0.786	73%	0.727	S	S	*	*				-157.2	-175.2	107.7	-92.7	-17.4	0	0	0	113.7
487	K	30.6	Very low	29.6	Very low	133 Å²	133	142.4 Å²	142.4	58%	0.578	73%	0.726	S	S	*	*			trans	-152.3	160.9	-157.8	-47.8	166.2	-174.4	158.3	0	108.2
488	T	33.1	Very low	29.7	Very low	97 Å²	97	145.7 Å²	145.7	60%	0.595	73%	0.727	S	S	*	*			cis	-116.2	-167.6	6.5	53.8	0	0	0	0	109.3
489	Q	31.6	Very low	29.9	Very low	149 Å²	149	145.6 Å²	145.6	70%	0.696	72%	0.721	S	S	*	*	S	Bend	cis	-131.1	173.5	4.9	-78.5	-63.8	10.7	0	0	110.2	S491	Q489-S491 PolarHBondContact OE1-O 3.42Å
490	G	27.7	Very low	30.3	Very low	72 Å²	72	143.8 Å²	143.8	74%	0.742	72%	0.719	S	S	*	*	S	Bend	cis	-75.1	138.9	-15.6	0	0	0	0	0	111.5
491	S	31.2	Very low	30.3	Very low	44 Å²	44	144.7 Å²	144.7	31%	0.308	72%	0.717	S	S	.	*			trans	-168.9	155.1	-168.1	-88.1	0	0	0	0	110.7	Q489	Q489-S491 PolarHBondContact OE1-O 3.42Å
492	R	27.2	Very low	30.4	Very low	168 Å²	168	140.3 Å²	140.3	63%	0.634	71%	0.71	S	S	*	*			cis	-163.6	178.7	-6.7	-122.2	166.9	172.5	116.6	-16.9	110.1
493	S	28.2	Very low	30	Very low	108 Å²	108	145.2 Å²	145.2	76%	0.755	72%	0.721	S	S	*	*			trans	-37.1	137.6	171.9	-42	0	0	0	0	117.5
494	S	27.8	Very low	30.5	Very low	113 Å²	113	137.9 Å²	137.9	79%	0.79	72%	0.715	S	S	*	*			trans	-171.5	167.6	136.5	-91.9	0	0	0	0	109.7
495	S	29	Very low	30.6	Very low	100 Å²	100	137 Å²	137	70%	0.699	72%	0.715	S	S	*	*			cis	168.9	128.4	-24.8	-82.5	0	0	0	0	103.5
496	R	27.7	Very low	30.7	Very low	232 Å²	232	139.8 Å²	139.8	88%	0.875	72%	0.723	S	S	*	*			trans	33.6	97.8	145.7	-157.3	174.7	-157.8	175.1	5	119.1
497	L	26.1	Very low	30.9	Very low	139 Å²	139	139.1 Å²	139.1	73%	0.728	72%	0.719	S	S	*	*			trans	79.3	120.2	143.9	-59.7	172.3	0	0	0	121.8
498	K	27.2	Very low	31.3	Very low	171 Å²	171	142.4 Å²	142.4	74%	0.743	73%	0.728	S	S	*	*				78.7	118.6	129	-77.6	-176.5	172.8	-175.2	0	122
499	I	31.3	Very low	31.3	Very low	135 Å²	135	142.3 Å²	142.3	69%	0.692	73%	0.731	S	S	*	*				95.9	136.9	128.2	-70.8	169.6	0	0	0	119.5
500	K	34.6	Very low	31.4	Very low	200 Å²	200	142 Å²	142	87%	0.87	73%	0.732	S	S	*	*			trans	76.3	156.5	173.4	-73.4	162.3	-176.9	-178.3	0	118.3
501	R	29.2	Very low	31.9	Very low	228 Å²	228	147.8 Å²	147.8	86%	0.86	74%	0.737	S	S	*	*				-171	150	-82.1	-120.6	-174.8	168.4	169.7	-3.9	110.9
502	L	30.1	Very low	32.1	Very low	142 Å²	142	151.2 Å²	151.2	74%	0.743	76%	0.758	S	S	*	*			trans	88.8	132.8	145.5	-73	162.6	0	0	0	124.1
503	K	31.3	Very low	32.3	Very low	203 Å²	203	150 Å²	150	88%	0.883	77%	0.765	S	S	*	*			trans	84.7	140.7	150.1	-73.6	-178.9	175.7	-174	0	121.4
504	G	38.8	Very low	32.7	Very low	69 Å²	69	152.1 Å²	152.1	71%	0.711	76%	0.76	S	S	*	*			trans	100.2	107.8	-177.2	0	0	0	0	0	111.9
505	N	33	Very low	33.1	Very low	150 Å²	150	154.4 Å²	154.4	80%	0.802	75%	0.751	S	S	*	*			cis	71.4	131.8	40.4	-69.3	13.2	0	0	0	113.8
506	I	31.1	Very low	33	Very low	136 Å²	136	157.1 Å²	157.1	70%	0.697	75%	0.753	S	S	*	*			cis	-161.7	175	-1.9	-124.8	168.5	0	0	0	111.8
507	L	41.6	Very low	33.2	Very low	132 Å²	132	150.2 Å²	150.2	69%	0.691	74%	0.74	S	S	*	*			trans	86.8	127.8	163.6	-123.6	102.7	0	0	0	117
508	R	38.8	Very low	33.6	Very low	203 Å²	203	150.4 Å²	150.4	77%	0.766	74%	0.742	S	S	*	*	S	Bend	cis	-164	156.3	-24.7	-116.3	-178.6	-123.3	-149.7	1.8	106.1
509	S	34	Very low	34.5	Very low	94 Å²	94	149 Å²	149	66%	0.657	75%	0.747	S	S	*	*			cis	-150.9	158.4	8.1	-82.5	0	0	0	0	108.4
510	I	34.7	Very low	34.9	Very low	143 Å²	143	146.2 Å²	146.2	73%	0.733	74%	0.74	S	S	*	*			cis	-159.5	157.3	-10.5	-107	163.7	0	0	0	107.2
511	K	36.8	Very low	34.8	Very low	193 Å²	193	142.3 Å²	142.3	84%	0.839	74%	0.738	S	S	*	*			trans	-109	159.2	166.4	-63.3	-174.1	173.1	-166.5	0	109.9
512	P	36.5	Very low	35.7	Very low	116 Å²	116	138.3 Å²	138.3	75%	0.753	73%	0.734	S	S	*	*				-158.9	178.5	100	41.9	-23.4	0	0	0	117.1
513	D	31.4	Very low	36.1	Very low	144 Å²	144	139.2 Å²	139.2	77%	0.77	73%	0.734	S	S	*	*			trans	-76.7	156.6	156.7	-47.3	-96	0	0	0	112.4
514	K	36.6	Very low	36.3	Very low	151 Å²	151	132.9 Å²	132.9	66%	0.657	72%	0.715	S	S	*	*			trans	179.3	146.5	154.5	-113.4	179	-179.9	-167.8	0	115	I561 S562	K514-I561 WeakPolarHBondContact O-CB 3.37Å; K514-I561 WeakPolarHBondContact O-CD1 3.33Å; K514-I561 WeakPolarHBondContact O-CG1 3.47Å; K514-I561 VanDerWaalsContact O-CG2 3.25Å; K514-I561 WeakPolarHBondContact O-CG2 3.28Å; K514-S562 PolarHBondContact O-OG 3.46Å
515	R	35	Very low	35.9	Very low	161 Å²	161	136.7 Å²	136.7	61%	0.608	71%	0.713	S	S	*	*			trans	-82.4	174.9	142.1	-83.9	-136.8	-174.6	-132.3	-6.5	108.1	I561 S562	R515-I561 WeakPolarHBondContact CD-O 3.24Å; R515-I561 VanDerWaalsContact CG-C 3.5Å; R515-I561 VanDerWaalsContact CG-O 3.26Å; R515-I561 WeakPolarHBondContact CG-O 3.38Å; R515-I561 PolarHBondContact NE-O 2.72Å; R515-I561 PolarHBondContact NH1-O 3.4Å; R515-S562 VanDerWaalsContact CG-N 3.27Å; R515-S562 VanDerWaalsContact CG-OG 3.23Å; R515-S562 WeakPolarHBondContact CG-OG 3.39Å; R515-S562 PolarHBondContact N-OG 3.17Å; R515-S562 VanDerWaalsContact N-OG 3.09Å; R515-S562 VanDerWaalsContact NE-N 3.12Å; R515-S562 PolarHBondContact NE-O 3.37Å; R515-S562 PolarHBondContact NH2-O 3.4Å
516	Q	26.6	Very low	36.2	Very low	158 Å²	158	137.6 Å²	137.6	74%	0.738	71%	0.712	S	S	*	*			trans	92.2	133.5	166	-58.7	170.1	-31.6	0	0	114.9
517	S	33.3	Very low	36.4	Very low	86 Å²	86	136.2 Å²	136.2	60%	0.601	70%	0.703	S	S	*	*			cis	-169.2	178.4	-6	41.8	0	0	0	0	112.9
518	D	33.8	Very low	36	Very low	143 Å²	143	134 Å²	134	77%	0.765	69%	0.69	S	S	*	*			trans	86	158.2	150.2	-53.2	-45.9	0	0	0	120.7
519	V	45.3	Very low	35.8	Very low	141 Å²	141	128.3 Å²	128.3	86%	0.855	68%	0.681	S	S	*	*			trans	69.4	78.8	-178.9	-162.3	0	0	0	0	116.7
520	S	40.1	Very low	36	Very low	78 Å²	78	128 Å²	128	55%	0.545	68%	0.679	S	S	.	*			trans	70.3	129.2	145.3	-147.8	0	0	0	0	118.4	N522	S520-N522 PolarHBondContact OG-N 2.78Å
521	S	32.7	Very low	35.9	Very low	118 Å²	118	129.2 Å²	129.2	83%	0.825	68%	0.679	S	S	*	*			cis	69.5	24.2	26.2	98.6	0	0	0	0	116.6
522	N	48.8	Very low	35.8	Very low	144 Å²	144	131.4 Å²	131.4	77%	0.77	68%	0.682	S	S	*	*			trans	-126.2	139.9	149.7	-81.5	-18.4	0	0	0	108.2	S520	S520-N522 PolarHBondContact OG-N 2.78Å
523	E	38.9	Very low	35.8	Very low	161 Å²	161	130 Å²	130	75%	0.752	67%	0.674	S	S	*	*			cis	-158.8	179.8	-29.3	-146.8	-138.8	172.3	0	0	109.3
524	S	34.2	Very low	36.2	Very low	69 Å²	69	126.4 Å²	126.4	48%	0.483	67%	0.665	S	S	.	*			trans	24.8	115	151	57.1	0	0	0	0	121.9
525	F	31.5	Very low	36.2	Very low	150 Å²	150	124.3 Å²	124.3	66%	0.658	67%	0.669	S	S	*	*				31.6	110.9	121.8	-56.8	-78.6	0	0	0	119.6
526	H	39.2	Very low	36.1	Very low	168 Å²	168	121 Å²	121	78%	0.778	66%	0.663	S	S	*	*			trans	-153.1	99.8	144.3	-125.1	-79.6	0	0	0	116.6
527	M	35	Very low	36	Very low	107 Å²	107	122.7 Å²	122.7	53%	0.527	66%	0.664	S	S	.	*			trans	31.2	128.5	138.8	-57.2	-116.2	70.4	0	0	122.1	S550	M527-S550 WeakPolarHBondContact O-CB 3.48Å; M527-S550 PolarHBondContact O-OG 3.4Å
528	E	32.3	Very low	36.6	Very low	87 Å²	87	124.5 Å²	124.5	41%	0.407	66%	0.661	S	S	.	*			trans	64.1	172.7	140.3	-77.9	168.2	105.3	0	0	119.1	K549 S550 T551	E528-K549 IonicContact OE1-NZ 2.8Å; E528-K549 VanDerWaalsContact OE2-CD 3.29Å; E528-K549 WeakPolarHBondContact OE2-CD 3.42Å; E528-K549 WeakPolarHBondContact OE2-CE 3.22Å; E528-K549 IonicContact OE2-NZ 3.23Å; E528-K549 PolarHBondContact OE2-NZ 3.33Å; E528-S550 VanDerWaalsContact CB-OG 3.27Å; E528-S550 WeakPolarHBondContact CB-OG 3.47Å; E528-S550 CarbonylContact O-C 3.5Å; E528-S550 PolarHBondContact O-OG 3.31Å; E528-T551 PolarHBondContact O-N 2.9Å
529	S	35.3	Very low	37	Very low	82 Å²	82	123 Å²	123	57%	0.573	66%	0.657	S	S	*	*			cis	176.5	137.4	-43.3	-92	0	0	0	0	107.5
530	S	37.2	Very low	36.7	Very low	88 Å²	88	124 Å²	124	62%	0.615	66%	0.656	S	S	*	*			trans	64.6	166.2	174.8	-68.9	0	0	0	0	115.3
531	K	34	Very low	36.9	Very low	168 Å²	168	130.4 Å²	130.4	73%	0.73	67%	0.674	S	S	*	*			cis	-163.3	141.7	-21.3	-104	159.7	-163.9	157.7	0	108.2
532	R	34	Very low	36.7	Very low	240 Å²	240	133.8 Å²	133.8	91%	0.906	67%	0.674	S	S	*	*			trans	55.1	-154.2	157.7	-68.6	179.2	167.9	-179.9	-4.7	112
533	S	37.3	Very low	35.8	Very low	85 Å²	85	132.1 Å²	132.1	59%	0.594	67%	0.674	S	S	*	*			cis	-154.5	179.8	5.2	-50.8	0	0	0	0	111.6	Y537 K538	S533-Y537 CarbonylContact C-O 3.57Å; S533-Y537 CarbonylContact O-C 3.21Å; S533-K538 PolarHBondContact O-N 3.14Å
534	A	38.9	Very low	35.1	Very low	69 Å²	69	130.6 Å²	130.6	57%	0.57	68%	0.675	S	S	*	*				-161.2	134.5	-67.8	0	0	0	0	0	108.3	N536 Y537	A534-N536 CarbonylContact O-C 3.54Å; A534-Y537 CarbonylContact C-O 3.5Å; A534-Y537 PolarHBondContact N-O 3.24Å; A534-Y537 PolarHBondContact O-N 2.9Å
535	S	37.4	Very low	34.8	Very low	108 Å²	108	134.6 Å²	134.6	76%	0.755	69%	0.691	S	S	*	*	S	Bend	cis	-88.8	-40.8	-8.4	73.7	0	0	0	0	118.4
536	N	33	Very low	34.8	Very low	90 Å²	90	132.1 Å²	132.1	48%	0.481	69%	0.693	S	S	.	*	S	Bend	cis	32	79.7	-6.8	-79	51.3	0	0	0	115.3	A534 K538	A534-N536 CarbonylContact O-C 3.54Å; N536-K538 WeakPolarHBondContact OD1-CD 3.31Å; N536-K538 PolarHBondContact OD1-NZ 2.96Å
537	Y	24.8	Very low	34.9	Very low	194 Å²	194	132.8 Å²	132.8	76%	0.761	70%	0.696	S	S	*	*			cis	-126.4	118	23.6	-51.3	-81.2	0	0	0	111.1	S533 A534	S533-Y537 CarbonylContact C-O 3.57Å; S533-Y537 CarbonylContact O-C 3.21Å; A534-Y537 CarbonylContact C-O 3.5Å; A534-Y537 PolarHBondContact N-O 3.24Å; A534-Y537 PolarHBondContact O-N 2.9Å
538	K	45.5	Very low	34.5	Very low	124 Å²	124	135.7 Å²	135.7	54%	0.539	71%	0.708	S	S	.	*			cis	61.9	129.4	15.5	-158.8	-155.2	177.2	-171.5	0	114.6	S533 N536	S533-K538 PolarHBondContact O-N 3.14Å; N536-K538 WeakPolarHBondContact OD1-CD 3.31Å; N536-K538 PolarHBondContact OD1-NZ 2.96Å
539	V	41.8	Very low	34.5	Very low	112 Å²	112	136.8 Å²	136.8	68%	0.679	71%	0.712	S	S	*	*			trans	94.4	106.2	165.3	-168.4	0	0	0	0	118.4
540	I	38.8	Very low	34.1	Very low	162 Å²	162	134.7 Å²	134.7	83%	0.831	70%	0.697	S	S	*	*			trans	38.1	118.1	135.1	-48.2	171.2	0	0	0	121.3
541	K	44.7	Very low	33.7	Very low	212 Å²	212	135.9 Å²	135.9	92%	0.922	70%	0.7	S	S	*	*			trans	-165.1	179.1	136.4	-130.5	-177.7	-178.1	-174.6	0	111.1
542	K	28.3	Very low	33.5	Very low	190 Å²	190	134.3 Å²	134.3	83%	0.826	71%	0.705	S	S	*	*			trans	-133.8	130.1	178.6	-169.5	-177.6	-175.9	-175	0	111.7
543	S	29.3	Very low	33.5	Very low	109 Å²	109	127.5 Å²	127.5	76%	0.762	70%	0.695	S	S	*	*			trans	59.8	153.2	173.9	56.5	0	0	0	0	116.9
544	T	25.5	Very low	33.5	Very low	128 Å²	128	131.5 Å²	131.5	79%	0.785	71%	0.708	S	S	*	*			cis	-128.1	166.2	20.3	48	0	0	0	0	115.6
545	N	26.4	Very low	33.3	Very low	153 Å²	153	134.6 Å²	134.6	82%	0.818	71%	0.709	S	S	*	*			trans	83.8	121.4	164.8	-93	-16.7	0	0	0	123.4
546	S	31.6	Very low	33.7	Very low	99 Å²	99	135 Å²	135	69%	0.692	70%	0.695	S	S	*	*			trans	62.6	107.5	144.7	60.2	0	0	0	0	123.2
547	H	42.4	Very low	33.5	Very low	182 Å²	182	137.2 Å²	137.2	84%	0.843	70%	0.702	S	S	*	*			trans	56.8	110.9	140.5	-67.4	-64.5	0	0	0	122.7
548	Q	26.4	Very low	33.8	Very low	167 Å²	167	132.4 Å²	132.4	78%	0.78	68%	0.683	S	S	*	*			trans	65.9	124.8	164.7	-48.9	-168.2	24.6	0	0	116.2
549	K	32.4	Very low	33.3	Very low	111 Å²	111	133.7 Å²	133.7	48%	0.483	70%	0.695	S	S	.	*			cis	-170.7	162.9	0.2	-98.1	166.5	-178.4	-174.9	0	107	E528	E528-K549 IonicContact OE1-NZ 2.8Å; E528-K549 VanDerWaalsContact OE2-CD 3.29Å; E528-K549 WeakPolarHBondContact OE2-CD 3.42Å; E528-K549 WeakPolarHBondContact OE2-CE 3.22Å; E528-K549 IonicContact OE2-NZ 3.23Å; E528-K549 PolarHBondContact OE2-NZ 3.33Å
550	S	26.8	Very low	33.3	Very low	37 Å²	37	132.4 Å²	132.4	26%	0.259	69%	0.689	S	S	.	*			cis	-171.3	-175.9	-28.5	47.9	0	0	0	0	108.8	M527 E528	M527-S550 WeakPolarHBondContact O-CB 3.48Å; M527-S550 PolarHBondContact O-OG 3.4Å; E528-S550 VanDerWaalsContact CB-OG 3.27Å; E528-S550 WeakPolarHBondContact CB-OG 3.47Å; E528-S550 CarbonylContact O-C 3.5Å; E528-S550 PolarHBondContact O-OG 3.31Å
551	T	28.7	Very low	32.9	Very low	113 Å²	113	128.3 Å²	128.3	69%	0.693	67%	0.668	S	S	*	*			trans	-142.3	170.9	-166	61.7	0	0	0	0	112.8	E528	E528-T551 PolarHBondContact O-N 2.9Å
552	T	29	Very low	32.1	Very low	135 Å²	135	120.2 Å²	120.2	83%	0.828	64%	0.639	S	S	*	*			cis	-148.8	-129.2	29.7	-36.8	0	0	0	0	114.2
553	S	35	Very low	32.5	Very low	98 Å²	98	114.1 Å²	114.1	69%	0.685	63%	0.63	S	S	*	*			trans	-164.9	162.2	-163.4	-168.5	0	0	0	0	115.4
554	L	36.7	Very low	32.6	Very low	168 Å²	168	112.2 Å²	112.2	88%	0.88	63%	0.627	S	S	*	*			trans	66.8	168.5	156.1	-86.4	167.9	0	0	0	121.5
555	K	34.4	Very low	32.8	Very low	135 Å²	135	111.5 Å²	111.5	59%	0.587	62%	0.619	S	S	*	*			trans	-86.2	163	178.8	-109.7	-167.1	169.8	-61.9	0	112.5	D1319 D1320	K555-D1319 IonicContact NZ-OD1 3.25Å; K555-D1319 PolarHBondContact NZ-OD1 2.75Å; K555-D1319 IonicContact NZ-OD2 3.38Å; K555-D1319 PolarHBondContact NZ-OD2 3.42Å; K555-D1320 IonicContact NZ-OD2 3.28Å; K555-D1320 PolarHBondContact NZ-OD2 3.29Å
556	Y	47	Very low	33.1	Very low	116 Å²	116	109.5 Å²	109.5	46%	0.455	61%	0.607	S	S	.	*			trans	-81.7	165.4	-161.8	-86.6	-116.8	0	0	0	116.5	D1319 D1320	Y556-D1319 VanDerWaalsContact CB-CA 3.44Å; Y556-D1320 HydrophobicContact CD2-CB 4.18Å; Y556-D1320 HydrophobicContact CE2-CB 4.12Å; Y556-D1320 WeakPolarHBondContact CE2-OD1 3.37Å; Y556-D1320 VanDerWaalsContact CZ-CA 3.49Å
557	E	28.2	Very low	33.1	Very low	137 Å²	137	112.2 Å²	112.2	64%	0.64	61%	0.607	S	S	*	*			trans	-128.4	166.9	138.7	-68.2	-158.5	83.1	0	0	111.5	D1316 F1317	E557-D1316 WeakPolarHBondContact OE1-CA 3.45Å; E557-F1317 CarbonylContact C-O 3.55Å; E557-F1317 VanDerWaalsContact C-O 3.29Å; E557-F1317 WeakPolarHBondContact CA-O 3.39Å; E557-F1317 WeakPolarHBondContact CB-O 3.28Å; E557-F1317 WeakPolarHBondContact CG-O 3.09Å; E557-F1317 PolarHBondContact OE1-N 2.91Å
558	R	32.2	Very low	32.4	Very low	92 Å²	92	110.1 Å²	110.1	35%	0.347	60%	0.602	S	S	.	*			trans	-97.3	141	-154.1	-162.3	154	-93.2	175.9	-1.6	116.3	F1317 E1318 D1319	R558-F1317 WeakPolarHBondContact CB-O 3.17Å; R558-F1317 PolarHBondContact N-O 3.35Å; R558-E1318 WeakPolarHBondContact CA-O 3.39Å; R558-E1318 WeakPolarHBondContact CB-O 3.28Å; R558-E1318 WeakPolarHBondContact CD-O 3.4Å; R558-E1318 VanDerWaalsContact CG-O 3.27Å; R558-E1318 WeakPolarHBondContact CG-O 3.2Å; R558-E1318 IonicContact CZ-OE2 2.66Å; R558-E1318 PolarHBondContact N-O 2.89Å; R558-E1318 PolarHBondContact NE-O 2.83Å; R558-E1318 IonicContact NH1-OE2 2.77Å; R558-E1318 PolarHBondContact NH1-OE2 2.77Å; R558-E1318 IonicContact NH2-OE2 3.03Å; R558-E1318 PolarHBondContact NH2-OE2 2.88Å; R558-D1319 PolarHBondContact NE-O 3.11Å; R558-D1319 PolarHBondContact NH2-O 2.79Å
559	N	34.9	Very low	32.4	Very low	151 Å²	151	106.8 Å²	106.8	81%	0.807	60%	0.597	S	S	*	*				-167.1	158	129	-104.8	-32.4	0	0	0	111.8
560	P	40.6	Very low	32.1	Very low	85 Å²	85	107.9 Å²	107.9	55%	0.552	61%	0.612	S	S	*	*				-124.6	-159.8	-109.6	35.4	-15.1	0	0	0	110.8
561	I	31.6	Very low	32.2	Very low	76 Å²	76	111.3 Å²	111.3	39%	0.39	64%	0.636	S	S	.	*			cis	-154.4	165.6	19.7	-9.1	78.9	0	0	0	105.7	K514 R515	K514-I561 WeakPolarHBondContact O-CB 3.37Å; K514-I561 WeakPolarHBondContact O-CD1 3.33Å; K514-I561 WeakPolarHBondContact O-CG1 3.47Å; K514-I561 VanDerWaalsContact O-CG2 3.25Å; K514-I561 WeakPolarHBondContact O-CG2 3.28Å; R515-I561 WeakPolarHBondContact CD-O 3.24Å; R515-I561 VanDerWaalsContact CG-C 3.5Å; R515-I561 VanDerWaalsContact CG-O 3.26Å; R515-I561 WeakPolarHBondContact CG-O 3.38Å; R515-I561 PolarHBondContact NE-O 2.72Å; R515-I561 PolarHBondContact NH1-O 3.4Å
562	S	27.2	Very low	32.2	Very low	43 Å²	43	111 Å²	111	30%	0.301	64%	0.639	S	S	.	*			cis	-150.4	175.9	1	-32.6	0	0	0	0	106.1	K514 R515	K514-S562 PolarHBondContact O-OG 3.46Å; R515-S562 VanDerWaalsContact CG-N 3.27Å; R515-S562 VanDerWaalsContact CG-OG 3.23Å; R515-S562 WeakPolarHBondContact CG-OG 3.39Å; R515-S562 PolarHBondContact N-OG 3.17Å; R515-S562 VanDerWaalsContact N-OG 3.09Å; R515-S562 VanDerWaalsContact NE-N 3.12Å; R515-S562 PolarHBondContact NE-O 3.37Å; R515-S562 PolarHBondContact NH2-O 3.4Å
563	G	35.4	Very low	32.2	Very low	62 Å²	62	111.4 Å²	111.4	64%	0.639	64%	0.636	S	S	*	*			cis	109.6	158.4	7.8	0	0	0	0	0	112.5
564	G	32.2	Very low	31.8	Very low	68 Å²	68	113.4 Å²	113.4	70%	0.701	64%	0.635	S	S	*	*			cis	-118.6	123.6	10.9	0	0	0	0	0	116.3
565	D	30.4	Very low	31.4	Very low	114 Å²	114	108.8 Å²	108.8	61%	0.61	62%	0.62	S	S	*	*				67.4	121.6	101	-51.4	-18.9	0	0	0	123.2
566	L	31.8	Very low	31.4	Very low	110 Å²	110	105.1 Å²	105.1	58%	0.576	61%	0.612	S	S	*	*				60.5	150	128.6	-82	44.4	0	0	0	120.5
567	F	31.4	Very low	30.7	Very low	157 Å²	157	102.8 Å²	102.8	69%	0.689	62%	0.617	S	S	*	*			cis	-152.3	165.3	8.9	-129.7	-52.7	0	0	0	111.1	F1317	F567-F1317 HydrophobicContact CE1-CZ 4.32Å; F567-F1317 HydrophobicContact CZ-CE1 4.47Å; F567-F1317 HydrophobicContact CZ-CE2 4.23Å; F567-F1317 AromaticContact CZ-CZ 3.68Å; F567-F1317 HydrophobicContact CZ-CZ 3.68Å
568	D	27.7	Very low	30.9	Very low	137 Å²	137	103.6 Å²	103.6	73%	0.733	63%	0.625	S	S	*	*			trans	107.4	139.5	143.1	-145.3	12.3	0	0	0	120.6
569	S	26.3	Very low	30.9	Very low	97 Å²	97	104.2 Å²	104.2	68%	0.678	64%	0.644	S	S	*	*			trans	-47	164.5	-178.1	-41.1	0	0	0	0	116.5
570	V	27	Very low	30.8	Very low	134 Å²	134	101.7 Å²	101.7	81%	0.812	64%	0.638	S	S	*	*			cis	-142.7	152.8	24.8	179.5	0	0	0	0	110.8
571	S	28.7	Very low	30.2	Very low	109 Å²	109	106.7 Å²	106.7	76%	0.762	65%	0.654	S	S	*	*			trans	-49.1	132.8	174.8	-48.6	0	0	0	0	113.7
572	S	28.5	Very low	29.9	Very low	107 Å²	107	107.4 Å²	107.4	75%	0.748	67%	0.666	S	S	*	*			cis	80.8	71.3	47.9	-56.4	0	0	0	0	115
573	N	28.1	Very low	30	Very low	143 Å²	143	112.2 Å²	112.2	77%	0.765	69%	0.688	S	S	*	*				15.8	145.4	105.4	-74.6	10.5	0	0	0	118.6
574	E	27.7	Very low	29.8	Very low	141 Å²	141	114.4 Å²	114.4	66%	0.659	69%	0.693	S	S	*	*			cis	-173.7	160.8	-16.4	-152.6	-177.9	-141.1	0	0	110.5	K1361	E574-K1361 VanDerWaalsContact O-CE 3.22Å; E574-K1361 WeakPolarHBondContact O-CE 3.22Å; E574-K1361 IonicContact OE2-NZ 2.68Å; E574-K1361 PolarHBondContact OE2-NZ 3.16Å
575	A	27.4	Very low	29.6	Very low	70 Å²	70	117.9 Å²	117.9	58%	0.579	70%	0.696	S	S	*	*			trans	-127.8	156.3	166.4	0	0	0	0	0	110.3
576	S	34.4	Very low	29.8	Very low	58 Å²	58	119 Å²	119	41%	0.406	71%	0.707	S	S	.	*			trans	-152.5	160.6	-179.4	-163.1	0	0	0	0	113.1	K1361 S1362	S576-K1361 VanDerWaalsContact N-CB 3.28Å; S576-K1361 CarbonylContact O-C 2.95Å; S576-K1361 VanDerWaalsContact O-CB 3.24Å; S576-K1361 WeakPolarHBondContact O-CB 3.4Å; S576-S1362 PolarHBondContact O-N 2.75Å
577	A	33.2	Very low	29.6	Very low	67 Å²	67	117 Å²	117	55%	0.554	71%	0.714	S	S	*	*			trans	152.8	142.1	167.4	0	0	0	0	0	106.5
578	N	32.4	Very low	29.6	Very low	155 Å²	155	115 Å²	115	83%	0.829	72%	0.719	S	S	*	*			cis	-159.9	162.2	-11.4	-99.2	4.1	0	0	0	106
579	S	32.7	Very low	29.7	Very low	105 Å²	105	116.5 Å²	116.5	73%	0.734	73%	0.725	S	S	*	*			cis	-160.3	-175.6	-11.4	57.4	0	0	0	0	108.3
580	S	31.9	Very low	29.7	Very low	97 Å²	97	116.6 Å²	116.6	68%	0.678	73%	0.726	S	S	*	*			trans	-77.8	163.1	161	44.7	0	0	0	0	111.2
581	E	27.3	Very low	29.8	Very low	190 Å²	190	115.2 Å²	115.2	89%	0.888	72%	0.722	S	S	*	*			cis	84.1	154.4	25.4	-148.1	167.3	-124.7	0	0	114.1
582	S	26.9	Very low	29.8	Very low	92 Å²	92	115.6 Å²	115.6	64%	0.643	73%	0.725	S	S	*	*			trans	-88.6	176.5	-148.8	51.4	0	0	0	0	117.3
583	D	28.5	Very low	29.9	Very low	143 Å²	143	116.3 Å²	116.3	77%	0.765	73%	0.725	S	S	*	*			trans	12.8	135.6	144.9	-40.4	-36.8	0	0	0	117.5
584	S	31.6	Very low	29.9	Very low	108 Å²	108	114.5 Å²	114.5	76%	0.755	72%	0.723	S	S	*	*				-163.4	179.3	58.3	-37.8	0	0	0	0	108.9
585	D	28.1	Very low	30	Very low	142 Å²	142	112.3 Å²	112.3	76%	0.759	72%	0.723	S	S	*	*			cis	-168.4	170.4	39.5	-144.5	-22.6	0	0	0	114.4
586	T	33.3	Very low	30	Very low	136 Å²	136	116.1 Å²	116.1	83%	0.834	73%	0.734	S	S	*	*			trans	73.6	138.4	175.5	73.3	0	0	0	0	117.4
587	G	29.2	Very low	29.7	Very low	70 Å²	70	120.3 Å²	120.3	72%	0.722	75%	0.75	S	S	*	*			trans	149.6	-20.6	159.8	0	0	0	0	0	120.7
588	S	30.2	Very low	29.4	Very low	113 Å²	113	123 Å²	123	79%	0.79	76%	0.76	S	S	*	*			trans	59.9	136	163	-55.2	0	0	0	0	121.4
589	I	30.3	Very low	29.3	Very low	170 Å²	170	122.5 Å²	122.5	87%	0.872	76%	0.763	S	S	*	*			trans	71.2	125.5	158.9	-21	-172	0	0	0	119.8
590	S	27.1	Very low	29.2	Very low	98 Å²	98	122.2 Å²	122.2	69%	0.685	76%	0.761	S	S	*	*			trans	-85.3	151.1	176.8	53.8	0	0	0	0	114.7
591	S	27.8	Very low	29.2	Very low	105 Å²	105	123.7 Å²	123.7	73%	0.734	77%	0.766	S	S	*	*				162.1	133.4	101.1	51.9	0	0	0	0	113.6
592	S	29.6	Very low	29.5	Very low	118 Å²	118	121.2 Å²	121.2	83%	0.825	76%	0.763	S	S	*	*			trans	-160.8	132.7	162.5	-61.4	0	0	0	0	106.1
593	T	30.2	Very low	29.7	Very low	122 Å²	122	121.5 Å²	121.5	75%	0.748	77%	0.765	S	S	*	*			cis	73.8	90.7	25.2	-43.9	0	0	0	0	114.3
594	S	27.7	Very low	29.9	Very low	104 Å²	104	121.3 Å²	121.3	73%	0.727	77%	0.77	S	S	*	*			trans	63.1	133.1	141.8	-52.9	0	0	0	0	122.7
595	S	30.1	Very low	30.1	Very low	95 Å²	95	121.3 Å²	121.3	66%	0.664	77%	0.767	S	S	*	*			trans	61.7	104.8	138.3	59.8	0	0	0	0	121.9
596	N	27.6	Very low	30.2	Very low	150 Å²	150	119.8 Å²	119.8	80%	0.802	77%	0.767	S	S	*	*				75.5	147.4	116.4	-67.4	-4.2	0	0	0	123.2
597	I	28.7	Very low	30	Very low	146 Å²	146	118.1 Å²	118.1	75%	0.749	76%	0.761	S	S	*	*			trans	87.6	86.5	149.8	-71	155.8	0	0	0	118.9
598	T	26.8	Very low	30	Very low	123 Å²	123	121.9 Å²	121.9	76%	0.755	76%	0.763	S	S	*	*			trans	45	122.1	131.8	64.1	0	0	0	0	122.8
599	V	30.2	Very low	30	Very low	146 Å²	146	121 Å²	121	89%	0.885	76%	0.757	S	S	*	*				-137.7	144	122.8	-77.7	0	0	0	0	107.9
600	S	30.3	Very low	29.8	Very low	99 Å²	99	117.8 Å²	117.8	69%	0.692	75%	0.75	S	S	*	*			cis	-157.6	-175.1	-16.7	-167.8	0	0	0	0	108.6
601	T	31.8	Very low	29.8	Very low	128 Å²	128	118 Å²	118	79%	0.785	75%	0.752	S	S	*	*			trans	58.5	175.8	172.8	53	0	0	0	0	115
602	V	34.1	Very low	29.8	Very low	137 Å²	137	120.6 Å²	120.6	83%	0.83	76%	0.756	S	S	*	*			cis	-136.7	-169.7	11	-142.3	0	0	0	0	111.4
603	S	30	Very low	29.7	Very low	99 Å²	99	121.5 Å²	121.5	69%	0.692	75%	0.752	S	S	*	*			trans	-111.1	165.5	-165.3	-53.1	0	0	0	0	115.7
604	T	33.5	Very low	29.6	Very low	139 Å²	139	120.5 Å²	120.5	85%	0.853	75%	0.75	S	S	*	*			trans	81.9	143.9	166.4	62	0	0	0	0	117.8
605	P	36.5	Very low	29.7	Very low	108 Å²	108	120.5 Å²	120.5	70%	0.701	75%	0.75	S	S	*	*				-136.1	-177.3	-123.9	44.3	-29.6	0	0	0	117.8
606	S	29.2	Very low	29.6	Very low	109 Å²	109	121.4 Å²	121.4	76%	0.762	76%	0.756	S	S	*	*			trans	67.7	149.2	160	56.7	0	0	0	0	118.6
607	S	28.9	Very low	29.8	Very low	101 Å²	101	119 Å²	119	71%	0.706	75%	0.751	S	S	*	*			cis	-165.3	149.1	-12.1	-102.6	0	0	0	0	113.1
608	I	30.3	Very low	29.9	Very low	149 Å²	149	116.8 Å²	116.8	76%	0.764	75%	0.749	S	S	*	*			trans	70.6	114.4	139.8	-63.5	168.5	0	0	0	122.3
609	S	28.5	Very low	30.1	Very low	95 Å²	95	116.5 Å²	116.5	66%	0.664	75%	0.746	S	S	*	*			trans	50	110.8	141.5	78.4	0	0	0	0	125.9
610	S	27.1	Very low	30.1	Very low	103 Å²	103	116.5 Å²	116.5	72%	0.72	74%	0.741	S	S	*	*				25.3	141.1	117	69.3	0	0	0	0	125.1
611	S	27.9	Very low	30	Very low	103 Å²	103	116.5 Å²	116.5	72%	0.72	74%	0.741	S	S	*	*			trans	85.9	116.5	136.2	-64.8	0	0	0	0	123.5
612	L	26.2	Very low	29.8	Very low	158 Å²	158	115.2 Å²	115.2	83%	0.827	74%	0.738	S	S	*	*			trans	73.9	153.3	136.6	-69.3	169.2	0	0	0	122.5
613	N	29.2	Very low	29.6	Very low	137 Å²	137	113.7 Å²	113.7	73%	0.733	73%	0.733	S	S	*	*			trans	77.4	106.5	159.3	-65.8	-5.2	0	0	0	122.1
614	S	26.9	Very low	29.8	Very low	102 Å²	102	116 Å²	116	71%	0.713	74%	0.736	S	S	*	*				62.9	112.1	115.7	-51.3	0	0	0	0	123.1
615	S	29.6	Very low	29.7	Very low	104 Å²	104	114.2 Å²	114.2	73%	0.727	73%	0.729	S	S	*	*			trans	75.5	129.8	131	-54.2	0	0	0	0	121.9
616	S	29.3	Very low	29.6	Very low	113 Å²	113	113.7 Å²	113.7	79%	0.79	73%	0.728	S	S	*	*			trans	62.1	147.6	149.6	40	0	0	0	0	119.8
617	S	30.9	Very low	29.9	Very low	100 Å²	100	113.6 Å²	113.6	70%	0.699	73%	0.727	S	S	*	*			cis	-169.2	139.3	-16.3	47.1	0	0	0	0	112.8
618	S	30.1	Very low	30.2	Very low	100 Å²	100	115 Å²	115	70%	0.699	73%	0.727	S	S	*	*			trans	70.8	159	134.2	70	0	0	0	0	123.6
619	V	30.7	Very low	30.5	Very low	117 Å²	117	114.3 Å²	114.3	71%	0.709	73%	0.725	S	S	*	*			trans	78.7	126.8	152.7	-71.7	0	0	0	0	123.8
620	N	30.3	Very low	30.8	Very low	146 Å²	146	114.7 Å²	114.7	78%	0.781	73%	0.728	S	S	*	*			trans	79.5	137.3	136.2	-68.5	7.8	0	0	0	120.2
621	S	29	Very low	31.2	Very low	98 Å²	98	113.4 Å²	113.4	69%	0.685	73%	0.73	S	S	*	*			cis	-149.5	170.2	0.4	-96.3	0	0	0	0	114.4
622	S	28.2	Very low	31.6	Very low	102 Å²	102	115.3 Å²	115.3	71%	0.713	74%	0.738	S	S	*	*			trans	-36.4	-177.4	161	65.2	0	0	0	0	117.8
623	S	29	Very low	32	Very low	104 Å²	104	113.3 Å²	113.3	73%	0.727	74%	0.737	S	S	*	*			cis	-156	-165	14	-4.5	0	0	0	0	108.9
624	I	34.3	Very low	32.2	Very low	149 Å²	149	117.1 Å²	117.1	76%	0.764	74%	0.741	S	S	*	*			cis	-153.1	158.9	12.1	-151.5	158.4	0	0	0	111.6
625	S	31.8	Very low	32.2	Very low	100 Å²	100	117.1 Å²	117.1	70%	0.699	74%	0.741	S	S	*	*			trans	23.3	165.4	150.9	82.7	0	0	0	0	124.1
626	S	33.7	Very low	32.5	Very low	98 Å²	98	121.3 Å²	121.3	69%	0.685	74%	0.742	S	S	*	*			cis	-144.6	147.7	9	-49.9	0	0	0	0	113.2
627	S	36.2	Very low	32.8	Very low	106 Å²	106	122.8 Å²	122.8	74%	0.741	74%	0.741	S	S	*	*			trans	44.3	135.7	138.3	-67.9	0	0	0	0	122.2
628	D	35	Very low	32.9	Very low	132 Å²	132	123.6 Å²	123.6	71%	0.706	75%	0.747	S	S	*	*			cis	-163.4	-169.9	8.9	-128.4	59.1	0	0	0	109.5
629	N	36.4	Very low	32.9	Very low	134 Å²	134	123.6 Å²	123.6	72%	0.717	75%	0.747	S	S	*	*			cis	-143.4	-114.5	11.5	-176.2	-112.2	0	0	0	112.5
630	S	34.2	Very low	33.2	Very low	103 Å²	103	125.5 Å²	125.5	72%	0.72	75%	0.753	S	S	*	*			trans	-122.3	158.3	-158.1	66.2	0	0	0	0	115.1
631	G	36.5	Very low	33.3	Very low	75 Å²	75	126.1 Å²	126.1	77%	0.773	76%	0.757	S	S	*	*			trans	177.8	28.7	-175.6	0	0	0	0	0	118	S633	G631-S633 PolarHBondContact O-N 2.77Å
632	T	36.4	Very low	33.6	Very low	143 Å²	143	124 Å²	124	88%	0.877	74%	0.742	S	S	*	*			trans	-9	104.1	177.3	-53.9	0	0	0	0	119.3
633	S	34.7	Very low	33.7	Very low	117 Å²	117	124.9 Å²	124.9	82%	0.818	75%	0.748	S	S	*	*			trans	-155	117.6	131.9	57.2	0	0	0	0	111.1	G631	G631-S633 PolarHBondContact O-N 2.77Å
634	R	33.1	Very low	34.2	Very low	216 Å²	216	125.9 Å²	125.9	82%	0.815	75%	0.75	S	S	*	*			trans	-95.4	106.8	-169.8	-153.8	173.1	-165.8	165.6	2.4	110.5	Y636	R634-Y636 HydrophobicContact CG-CD2 4.27Å; R634-Y636 HydrophobicContact CG-CE2 4.46Å
635	S	27.7	Very low	34.7	Very low	102 Å²	102	120.4 Å²	120.4	71%	0.713	72%	0.724	S	S	*	*			trans	-76	131.9	167.2	-172	0	0	0	0	109.7
636	Y	35.6	Very low	35.6	Very low	193 Å²	193	119.1 Å²	119.1	76%	0.757	72%	0.716	S	S	*	*			trans	-132.8	122.5	166.1	-108	-70.3	0	0	0	109.1	R634	R634-Y636 HydrophobicContact CG-CD2 4.27Å; R634-Y636 HydrophobicContact CG-CE2 4.46Å
637	N	34.5	Very low	36.5	Very low	144 Å²	144	118.6 Å²	118.6	77%	0.77	71%	0.708	S	S	*	*			trans	-81.5	152.4	174.4	-64.1	-52.4	0	0	0	110.4
638	S	33.5	Very low	37.5	Very low	116 Å²	116	116.7 Å²	116.7	81%	0.811	70%	0.699	S	S	*	*			trans	-146.9	150.1	135.5	-166.5	0	0	0	0	110.2
639	S	30.9	Very low	38.7	Very low	100 Å²	100	116.8 Å²	116.8	70%	0.699	69%	0.693	S	S	*	*			trans	-115.3	104.2	-172.1	-65.1	0	0	0	0	111.2	N641	S639-N641 PolarHBondContact O-N 2.92Å; S639-N641 VanDerWaalsContact O-N 3.12Å
640	D	36.3	Very low	40.1	Very low	158 Å²	158	116 Å²	116	85%	0.845	68%	0.683	S	S	*	*			trans	-82.8	84.6	173.7	-93.3	-14.5	0	0	0	112	S642	D640-S642 PolarHBondContact O-N 3.32Å; D640-S642 VanDerWaalsContact O-N 3.15Å
641	N	32.4	Very low	42.3	Very low	159 Å²	159	115.2 Å²	115.2	85%	0.85	67%	0.668	S	S	*	*			trans	-70.5	99.7	164.1	-92.3	-27.5	0	0	0	110.4	S639	S639-N641 PolarHBondContact O-N 2.92Å; S639-N641 VanDerWaalsContact O-N 3.12Å
642	S	34.3	Very low	44.5	Very low	54 Å²	54	113.8 Å²	113.8	38%	0.378	65%	0.649	S	S	.	*			trans	-143.1	75	165.2	56.1	0	0	0	0	112.5	D640 T644 S645	D640-S642 PolarHBondContact O-N 3.32Å; D640-S642 VanDerWaalsContact O-N 3.15Å; S642-T644 PolarHBondContact O-N 3.39Å; S642-S645 WeakPolarHBondContact O-CB 3.44Å; S642-S645 PolarHBondContact O-N 3.19Å; S642-S645 WeakPolarHBondContact OG-CB 3.35Å
643	S	31.3	Very low	47	Very low	120 Å²	120	110.2 Å²	110.2	84%	0.839	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	-0	174.9	38.5	0	0	0	0	114.8
644	T	40	Very low	49.6	Very low	124 Å²	124	108 Å²	108	76%	0.761	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.4	-13.3	170.4	49.9	0	0	0	0	113.9	S642 S646	S642-T644 PolarHBondContact O-N 3.39Å; T644-S646 PolarHBondContact O-N 2.79Å
645	S	45	Very low	52.3	Low	34 Å²	34	103.2 Å²	103.2	24%	0.238	58%	0.581	C	S	.	*	H	α-helix	trans	-80.2	-14.9	-174	-164.6	0	0	0	0	114.1	S642 K649	S642-S645 WeakPolarHBondContact O-CB 3.44Å; S642-S645 PolarHBondContact O-N 3.19Å; S642-S645 WeakPolarHBondContact OG-CB 3.35Å; S645-K649 WeakPolarHBondContact O-CD 3.22Å; S645-K649 WeakPolarHBondContact O-CG 3.3Å; S645-K649 PolarHBondContact O-N 2.93Å; S645-K649 VanDerWaalsContact OG-CE 3.29Å; S645-K649 WeakPolarHBondContact OG-CE 3.27Å; S645-K649 PolarHBondContact OG-NZ 2.93Å
646	S	50.9	Low	55.4	Low	74 Å²	74	98.5 Å²	98.5	52%	0.517	55%	0.547	S	S	.	.	H	α-helix	trans	-66.9	-40.4	-173.8	55.1	0	0	0	0	113.5	T644 K649 F650	T644-S646 PolarHBondContact O-N 2.79Å; S646-K649 PolarHBondContact O-N 2.84Å; S646-F650 WeakPolarHBondContact O-CB 3.43Å; S646-F650 PolarHBondContact O-N 2.91Å
647	V	52.1	Low	58.1	Low	86 Å²	86	91.4 Å²	91.4	52%	0.521	52%	0.522	S	S	.	.	H	α-helix	trans	-66.5	-49.2	-175.7	-175.9	0	0	0	0	111.2	K649 F650 E651	V647-K649 VanDerWaalsContact C-N 3.3Å; V647-K649 PolarHBondContact O-N 3.07Å; V647-F650 CarbonylContact O-C 3.13Å; V647-F650 WeakPolarHBondContact O-CA 3.4Å; V647-F650 WeakPolarHBondContact O-CB 3.33Å; V647-F650 PolarHBondContact O-N 3.48Å; V647-E651 PolarHBondContact O-N 3Å
648	A	56.1	Low	60.8	Low	67 Å²	67	87.4 Å²	87.4	55%	0.554	51%	0.509	S	S	*	.	H	α-helix	trans	-61.1	-38.1	178.1	0	0	0	0	0	112.6	F650 A652	A648-F650 VanDerWaalsContact C-N 3.34Å; A648-A652 WeakPolarHBondContact O-CB 3.49Å; A648-A652 PolarHBondContact O-N 2.96Å
649	K	60.4	Low	63.6	Low	133 Å²	133	85 Å²	85	58%	0.578	49%	0.485	S	S	*	.	H	α-helix	trans	-67.8	-32.5	174.7	-73	166.6	178.2	156.1	0	112.3	S645 S646 V647 R653	S645-K649 WeakPolarHBondContact O-CD 3.22Å; S645-K649 WeakPolarHBondContact O-CG 3.3Å; S645-K649 PolarHBondContact O-N 2.93Å; S645-K649 VanDerWaalsContact OG-CE 3.29Å; S645-K649 WeakPolarHBondContact OG-CE 3.27Å; S645-K649 PolarHBondContact OG-NZ 2.93Å; S646-K649 PolarHBondContact O-N 2.84Å; V647-K649 VanDerWaalsContact C-N 3.3Å; V647-K649 PolarHBondContact O-N 3.07Å; K649-R653 WeakPolarHBondContact O-CB 3.26Å; K649-R653 PolarHBondContact O-N 3.18Å
650	F	65.7	Low	66.6	Low	118 Å²	118	80.3 Å²	80.3	52%	0.518	45%	0.452	S	S	.	.	H	α-helix	trans	-73.4	-44.5	173.9	-172.3	-90.9	0	0	0	112	S646 V647 A648 R653 D654	S646-F650 WeakPolarHBondContact O-CB 3.43Å; S646-F650 PolarHBondContact O-N 2.91Å; V647-F650 CarbonylContact O-C 3.13Å; V647-F650 WeakPolarHBondContact O-CA 3.4Å; V647-F650 WeakPolarHBondContact O-CB 3.33Å; V647-F650 PolarHBondContact O-N 3.48Å; A648-F650 VanDerWaalsContact C-N 3.34Å; F650-R653 WeakPolarHBondContact O-CB 3.27Å; F650-R653 PolarHBondContact O-N 2.9Å; F650-D654 WeakPolarHBondContact CE1-OD2 3.37Å; F650-D654 WeakPolarHBondContact CZ-OD2 3.22Å; F650-D654 PolarHBondContact O-N 2.81Å
651	E	81.2	Confident	69.2	Low	86 Å²	86	76.1 Å²	76.1	40%	0.402	43%	0.425	S	S	.	.	H	α-helix	trans	-62.6	-43.9	175.1	-77.1	-170.2	-120.5	0	0	112.7	V647 R653 D654 R655	V647-E651 PolarHBondContact O-N 3Å; E651-R653 PolarHBondContact O-N 2.99Å; E651-D654 PolarHBondContact O-N 2.66Å; E651-R655 VanDerWaalsContact O-CB 3.31Å; E651-R655 WeakPolarHBondContact O-CB 3.29Å; E651-R655 WeakPolarHBondContact O-CD 3.47Å; E651-R655 WeakPolarHBondContact O-CG 3.36Å; E651-R655 PolarHBondContact O-N 3.02Å; E651-R655 IonicContact OE2-CZ 3.89Å; E651-R655 IonicContact OE2-NE 3.72Å; E651-R655 IonicContact OE2-NH2 3.62Å; E651-R655 PolarHBondContact OE2-NH2 3.01Å
652	A	82.3	Confident	72	Confident	45 Å²	45	76.3 Å²	76.3	37%	0.372	41%	0.413	S	S	.	.	H	α-helix	trans	-61.6	-35.4	176.9	0	0	0	0	0	112.2	A648 W656	A648-A652 WeakPolarHBondContact O-CB 3.49Å; A648-A652 PolarHBondContact O-N 2.96Å; A652-W656 WeakPolarHBondContact O-CB 3.47Å; A652-W656 PolarHBondContact O-N 2.81Å
653	R	88.2	Confident	74.8	Confident	68 Å²	68	75.3 Å²	75.3	26%	0.257	40%	0.403	S	S	.	.	H	α-helix	trans	-65.3	-52.3	172.1	164.8	-163.8	-178	97.7	0.2	111.4	K649 F650 E651 W656 I657 D683 Y685	K649-R653 WeakPolarHBondContact O-CB 3.26Å; K649-R653 PolarHBondContact O-N 3.18Å; F650-R653 WeakPolarHBondContact O-CB 3.27Å; F650-R653 PolarHBondContact O-N 2.9Å; E651-R653 PolarHBondContact O-N 2.99Å; R653-W656 PolarHBondContact O-N 2.98Å; R653-I657 HydrophobicContact CG-CD1 3.85Å; R653-I657 WeakPolarHBondContact O-CG1 3.29Å; R653-I657 PolarHBondContact O-N 2.79Å; R653-D683 IonicContact CZ-OD1 3.52Å; R653-D683 IonicContact CZ-OD2 2.68Å; R653-D683 IonicContact NH1-OD1 3.68Å; R653-D683 PolarHBondContact NH1-OD1 2.92Å; R653-D683 IonicContact NH1-OD2 2.95Å; R653-D683 PolarHBondContact NH1-OD2 3.4Å; R653-D683 IonicContact NH2-OD1 2.65Å; R653-D683 PolarHBondContact NH2-OD1 2.98Å; R653-D683 IonicContact NH2-OD2 3.22Å; R653-D683 PolarHBondContact NH2-OD2 2.81Å; R653-Y685 HydrophobicContact CB-CD1 3.81Å; R653-Y685 HydrophobicContact CB-CD2 4.44Å; R653-Y685 HydrophobicContact CB-CE1 3.76Å; R653-Y685 HydrophobicContact CB-CE2 4.39Å; R653-Y685 HydrophobicContact CB-CG 4.13Å; R653-Y685 HydrophobicContact CG-CD1 3.77Å; R653-Y685 HydrophobicContact CG-CE1 4.26Å; R653-Y685 HydrophobicContact CG-CG 3.89Å
654	D	90	Very high	77.7	Confident	70 Å²	70	69.7 Å²	69.7	37%	0.374	36%	0.363	S	S	.	.	H	α-helix	trans	-70.7	-35.2	-174.2	-83.5	18	0	0	0	112.2	F650 E651 I657 A658	F650-D654 WeakPolarHBondContact CE1-OD2 3.37Å; F650-D654 WeakPolarHBondContact CZ-OD2 3.22Å; F650-D654 PolarHBondContact O-N 2.81Å; E651-D654 PolarHBondContact O-N 2.66Å; D654-I657 PolarHBondContact O-N 3.23Å; D654-A658 WeakPolarHBondContact O-CB 3.25Å; D654-A658 PolarHBondContact O-N 2.92Å
655	R	89.3	Confident	80.1	Confident	117 Å²	117	67.9 Å²	67.9	44%	0.442	35%	0.349	S	S	.	.	H	α-helix	trans	-58.8	-46	169	-68.8	167.9	-166.7	-177.3	6.4	111.4	E651 A658 Q659	E651-R655 VanDerWaalsContact O-CB 3.31Å; E651-R655 WeakPolarHBondContact O-CB 3.29Å; E651-R655 WeakPolarHBondContact O-CD 3.47Å; E651-R655 WeakPolarHBondContact O-CG 3.36Å; E651-R655 PolarHBondContact O-N 3.02Å; E651-R655 IonicContact OE2-CZ 3.89Å; E651-R655 IonicContact OE2-NE 3.72Å; E651-R655 IonicContact OE2-NH2 3.62Å; E651-R655 PolarHBondContact OE2-NH2 3.01Å; R655-A658 PolarHBondContact O-N 3.13Å; R655-Q659 WeakPolarHBondContact O-CG 3.43Å; R655-Q659 PolarHBondContact O-N 2.92Å
656	W	92.8	Very high	82.3	Confident	2 Å²	2	72.1 Å²	72.1	1%	0.008	37%	0.365	C	S	.	.	H	α-helix	trans	-66.4	-39	176.7	-179.4	86.8	0	0	0	112.6	A652 R653 A658 Q659 L660 L684 Y685 Y688 L734 W737 C749	A652-W656 WeakPolarHBondContact O-CB 3.47Å; A652-W656 PolarHBondContact O-N 2.81Å; R653-W656 PolarHBondContact O-N 2.98Å; W656-A658 VanDerWaalsContact C-N 3.33Å; W656-A658 PolarHBondContact O-N 3.41Å; W656-Q659 PolarHBondContact O-N 2.67Å; W656-L660 HydrophobicContact CH2-CD2 3.77Å; W656-L660 HydrophobicContact CZ2-CD2 4.5Å; W656-L660 HydrophobicContact CZ3-CD2 3.75Å; W656-L660 WeakPolarHBondContact O-CB 3.42Å; W656-L660 PolarHBondContact O-N 2.66Å; W656-L684 HydrophobicContact CZ3-CB 4.37Å; W656-Y685 HydrophobicContact CB-CD2 4.17Å; W656-Y685 HydrophobicContact CB-CE2 4.06Å; W656-Y685 AromaticContact CD2-CD2 3.69Å; W656-Y685 HydrophobicContact CD2-CD2 3.69Å; W656-Y685 HydrophobicContact CD2-CE2 4.24Å; W656-Y685 AromaticContact CE3-CD2 3.49Å; W656-Y685 HydrophobicContact CE3-CD2 3.49Å; W656-Y685 VanDerWaalsContact CE3-CD2 3.49Å; W656-Y685 HydrophobicContact CE3-CE2 4.44Å; W656-Y685 HydrophobicContact CE3-CG 4.25Å; W656-Y685 HydrophobicContact CG-CD2 4.02Å; W656-Y685 HydrophobicContact CG-CE2 4.11Å; W656-Y685 HydrophobicContact CZ3-CD2 4.05Å; W656-Y685 HydrophobicContact CZ3-CG 4.5Å; W656-Y688 HydrophobicContact CH2-CD2 4.45Å; W656-Y688 AromaticContact CH2-CG 3.94Å; W656-Y688 HydrophobicContact CH2-CG 3.94Å; W656-Y688 AromaticContact CZ2-CD1 3.85Å; W656-Y688 HydrophobicContact CZ2-CD1 3.85Å; W656-Y688 AromaticContact CZ2-CD2 3.95Å; W656-Y688 HydrophobicContact CZ2-CD2 3.95Å; W656-Y688 AromaticContact CZ2-CG 3.55Å; W656-Y688 HydrophobicContact CZ2-CG 3.55Å; W656-L734 HydrophobicContact CH2-CD2 3.69Å; W656-L734 HydrophobicContact CZ2-CD2 4.39Å; W656-W737 AromaticContact CD1-CZ2 3.78Å; W656-W737 AromaticContact CE2-NE1 3.97Å; W656-W737 AromaticContact CZ2-NE1 3.96Å; W656-W737 AromaticContact NE1-CE2 3.57Å; W656-W737 AromaticContact NE1-CZ2 3.42Å; W656-W737 AromaticContact NE1-NE1 3.46Å; W656-C749 PolarHBondContact NE1-SG 2.76Å
657	I	92.8	Very high	83.9	Confident	44 Å²	44	73.1 Å²	73.1	23%	0.226	36%	0.357	C	S	.	.	H	α-helix	trans	-62.4	-43	174.4	-69.5	170.8	0	0	0	109.9	R653 D654 L660 Y661	R653-I657 HydrophobicContact CG-CD1 3.85Å; R653-I657 WeakPolarHBondContact O-CG1 3.29Å; R653-I657 PolarHBondContact O-N 2.79Å; D654-I657 PolarHBondContact O-N 3.23Å; I657-L660 PolarHBondContact O-N 2.78Å; I657-Y661 HydrophobicContact CG2-CD2 3.85Å; I657-Y661 HydrophobicContact CG2-CE2 3.81Å; I657-Y661 VanDerWaalsContact O-CD2 3.27Å; I657-Y661 WeakPolarHBondContact O-CD2 3.46Å; I657-Y661 PolarHBondContact O-N 3.04Å
658	A	92.4	Very high	85.5	Confident	60 Å²	60	71.9 Å²	71.9	50%	0.496	36%	0.362	S	S	.	.	H	α-helix	trans	-62.9	-41.7	176.1	0	0	0	0	0	112.4	D654 R655 W656 Y661 R662	D654-A658 WeakPolarHBondContact O-CB 3.25Å; D654-A658 PolarHBondContact O-N 2.92Å; R655-A658 PolarHBondContact O-N 3.13Å; W656-A658 VanDerWaalsContact C-N 3.33Å; W656-A658 PolarHBondContact O-N 3.41Å; A658-Y661 PolarHBondContact O-N 3.33Å; A658-R662 WeakPolarHBondContact O-CB 3.43Å; A658-R662 PolarHBondContact O-N 3.47Å
659	Q	92.1	Very high	87.1	Confident	67 Å²	67	71.7 Å²	71.7	31%	0.313	35%	0.354	S	S	.	.	H	α-helix	trans	-63.4	-42.7	173.8	-70.3	167.5	-26.7	0	0	112.1	R655 W656 R662 F663 W737	R655-Q659 WeakPolarHBondContact O-CG 3.43Å; R655-Q659 PolarHBondContact O-N 2.92Å; W656-Q659 PolarHBondContact O-N 2.67Å; Q659-R662 PolarHBondContact O-N 3.25Å; Q659-F663 WeakPolarHBondContact O-CB 3.32Å; Q659-F663 PolarHBondContact O-N 3.43Å; Q659-W737 HydrophobicContact CB-CH2 3.74Å; Q659-W737 HydrophobicContact CB-CZ3 4.2Å
660	L	92.3	Very high	88.4	Confident	0 Å²	0	68 Å²	68	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-62.5	-44.7	176	177.5	66.5	0	0	0	111.6	W656 I657 F663 M664 L684 L734 W737	W656-L660 HydrophobicContact CH2-CD2 3.77Å; W656-L660 HydrophobicContact CZ2-CD2 4.5Å; W656-L660 HydrophobicContact CZ3-CD2 3.75Å; W656-L660 WeakPolarHBondContact O-CB 3.42Å; W656-L660 PolarHBondContact O-N 2.66Å; I657-L660 PolarHBondContact O-N 2.78Å; L660-F663 PolarHBondContact O-N 2.81Å; L660-M664 HydrophobicContact CD1-CE 4.05Å; L660-M664 HydrophobicContact CD1-CG 4.25Å; L660-M664 HydrophobicContact CG-CG 4.41Å; L660-M664 WeakPolarHBondContact O-CB 3.35Å; L660-M664 WeakPolarHBondContact O-CG 3.49Å; L660-M664 PolarHBondContact O-N 3.34Å; L660-L684 HydrophobicContact CD2-CB 4.27Å; L660-L684 HydrophobicContact CD2-CD1 3.97Å; L660-L734 HydrophobicContact CD1-CD2 4.35Å; L660-L734 HydrophobicContact CD2-CD2 3.67Å; L660-W737 HydrophobicContact CD1-CB 3.83Å; L660-W737 HydrophobicContact CD1-CD2 4Å; L660-W737 HydrophobicContact CD1-CE3 4.04Å; L660-W737 HydrophobicContact CD1-CG 3.94Å
661	Y	91.6	Very high	89.4	Confident	70 Å²	70	63 Å²	63	28%	0.275	32%	0.322	S	S	.	.	H	α-helix	trans	-63.2	-48.6	176.8	-89.1	-116.1	0	0	0	110.8	I657 A658 F663 M664 D665 I671	I657-Y661 HydrophobicContact CG2-CD2 3.85Å; I657-Y661 HydrophobicContact CG2-CE2 3.81Å; I657-Y661 VanDerWaalsContact O-CD2 3.27Å; I657-Y661 WeakPolarHBondContact O-CD2 3.46Å; I657-Y661 PolarHBondContact O-N 3.04Å; A658-Y661 PolarHBondContact O-N 3.33Å; Y661-F663 VanDerWaalsContact C-N 3.33Å; Y661-F663 PolarHBondContact O-N 3.41Å; Y661-M664 WeakPolarHBondContact O-CA 3.27Å; Y661-M664 WeakPolarHBondContact O-CB 3.16Å; Y661-M664 PolarHBondContact O-N 3.06Å; Y661-D665 PolarHBondContact O-N 3.2Å; Y661-I671 HydrophobicContact CD1-CB 4.12Å; Y661-I671 HydrophobicContact CE1-CB 3.76Å; Y661-I671 HydrophobicContact CE1-CG2 3.92Å; Y661-I671 WeakPolarHBondContact CE1-O 3.23Å; Y661-I671 HydrophobicContact CE2-CG2 4.45Å
662	R	91.4	Very high	89.6	Confident	163 Å²	163	65.6 Å²	65.6	62%	0.615	34%	0.339	S	S	*	.	H	α-helix	trans	-53.7	-48.7	174.9	177.1	178.8	168.7	171.6	-0.3	111.9	A658 Q659 M664 D665 E666	A658-R662 WeakPolarHBondContact O-CB 3.43Å; A658-R662 PolarHBondContact O-N 3.47Å; Q659-R662 PolarHBondContact O-N 3.25Å; R662-M664 VanDerWaalsContact C-N 3.32Å; R662-M664 PolarHBondContact O-N 3.27Å; R662-D665 PolarHBondContact O-N 2.89Å; R662-E666 HydrophobicContact CG-CG 4.36Å; R662-E666 IonicContact CZ-OE1 2.6Å; R662-E666 IonicContact NE-OE1 4Å; R662-E666 PolarHBondContact NE-OE1 3.06Å; R662-E666 IonicContact NE-OE2 2.7Å; R662-E666 IonicContact NH2-OE1 2.75Å; R662-E666 PolarHBondContact NH2-OE1 3.18Å; R662-E666 WeakPolarHBondContact O-CB 3.29Å; R662-E666 WeakPolarHBondContact O-CG 3.48Å; R662-E666 PolarHBondContact O-N 3.42Å
663	F	92.6	Very high	89.6	Confident	34 Å²	34	71.9 Å²	71.9	15%	0.149	36%	0.358	C	S	.	.	H	α-helix	trans	-62.4	-37.1	176.9	168.1	-107.5	0	0	0	112.7	Q659 L660 Y661 D665 R667 P736 W737 I740	Q659-F663 WeakPolarHBondContact O-CB 3.32Å; Q659-F663 PolarHBondContact O-N 3.43Å; L660-F663 PolarHBondContact O-N 2.81Å; Y661-F663 VanDerWaalsContact C-N 3.33Å; Y661-F663 PolarHBondContact O-N 3.41Å; F663-D665 VanDerWaalsContact C-N 3.33Å; F663-R667 VanDerWaalsContact O-CG 3.24Å; F663-R667 WeakPolarHBondContact O-CG 3.29Å; F663-R667 PolarHBondContact O-N 3.17Å; F663-P736 HydrophobicContact CE1-CB 4.32Å; F663-W737 HydrophobicContact CB-CE3 3.83Å; F663-W737 HydrophobicContact CB-CZ3 3.86Å; F663-W737 HydrophobicContact CD1-CB 4.12Å; F663-W737 AromaticContact CD1-CE3 3.65Å; F663-W737 HydrophobicContact CD1-CE3 3.65Å; F663-W737 HydrophobicContact CE1-CB 3.93Å; F663-W737 HydrophobicContact CE1-CE3 4.43Å; F663-W737 AromaticContact CG-CE3 3.82Å; F663-W737 HydrophobicContact CG-CE3 3.82Å; F663-W737 HydrophobicContact CG-CZ3 4.28Å; F663-I740 HydrophobicContact CE2-CD1 3.72Å; F663-I740 HydrophobicContact CZ-CD1 3.69Å
664	M	92.2	Very high	89.3	Confident	1 Å²	1	71.2 Å²	71.2	1%	0.005	37%	0.366	C	S	.	.	H	α-helix	trans	-68.1	-32.4	176.6	-70.1	-81.6	131.4	0	0	112.7	L660 Y661 R662 R667 T669 I671 Y733 P736	L660-M664 HydrophobicContact CD1-CE 4.05Å; L660-M664 HydrophobicContact CD1-CG 4.25Å; L660-M664 HydrophobicContact CG-CG 4.41Å; L660-M664 WeakPolarHBondContact O-CB 3.35Å; L660-M664 WeakPolarHBondContact O-CG 3.49Å; L660-M664 PolarHBondContact O-N 3.34Å; Y661-M664 WeakPolarHBondContact O-CA 3.27Å; Y661-M664 WeakPolarHBondContact O-CB 3.16Å; Y661-M664 PolarHBondContact O-N 3.06Å; R662-M664 VanDerWaalsContact C-N 3.32Å; R662-M664 PolarHBondContact O-N 3.27Å; M664-R667 VanDerWaalsContact CE-NH1 3.32Å; M664-R667 VanDerWaalsContact O-CG 3.27Å; M664-R667 WeakPolarHBondContact O-CG 3.14Å; M664-R667 PolarHBondContact SD-NH1 2.93Å; M664-T669 CarbonylContact O-C 3.38Å; M664-T669 WeakPolarHBondContact O-CA 3.42Å; M664-T669 PolarHBondContact O-N 3.4Å; M664-I671 HydrophobicContact CB-CD1 4.19Å; M664-I671 HydrophobicContact CB-CG1 3.89Å; M664-I671 HydrophobicContact CG-CD1 3.68Å; M664-I671 HydrophobicContact CG-CG1 3.93Å; M664-I671 HydrophobicContact SD-CD1 4.12Å; M664-I671 HydrophobicContact SD-CG1 4.37Å; M664-Y733 WeakPolarHBondContact CE-O 3.09Å; M664-P736 HydrophobicContact CE-CB 4.36Å
665	D	91.3	Very high	89.1	Confident	87 Å²	87	68.3 Å²	68.3	47%	0.465	35%	0.352	S	S	.	.	H	α-helix	trans	-75.5	-45.6	174.9	-59.7	-11.1	0	0	0	110.6	Y661 R662 F663 R667 G668 P670	Y661-D665 PolarHBondContact O-N 3.2Å; R662-D665 PolarHBondContact O-N 2.89Å; F663-D665 VanDerWaalsContact C-N 3.33Å; D665-R667 VanDerWaalsContact C-N 3.33Å; D665-R667 PolarHBondContact O-N 3.26Å; D665-G668 WeakPolarHBondContact O-CA 3.48Å; D665-G668 PolarHBondContact O-N 3.25Å; D665-P670 WeakPolarHBondContact OD1-CA 3.41Å; D665-P670 WeakPolarHBondContact OD1-CB 3.19Å
666	E	90.6	Very high	89	Confident	122 Å²	122	66.4 Å²	66.4	57%	0.57	36%	0.356	S	S	*	.	H	α-helix	trans	-60.3	-36.3	177.5	-76	172.2	162	0	0	112.8	R662 G668	R662-E666 HydrophobicContact CG-CG 4.36Å; R662-E666 IonicContact CZ-OE1 2.6Å; R662-E666 IonicContact NE-OE1 4Å; R662-E666 PolarHBondContact NE-OE1 3.06Å; R662-E666 IonicContact NE-OE2 2.7Å; R662-E666 IonicContact NH2-OE1 2.75Å; R662-E666 PolarHBondContact NH2-OE1 3.18Å; R662-E666 WeakPolarHBondContact O-CB 3.29Å; R662-E666 WeakPolarHBondContact O-CG 3.48Å; R662-E666 PolarHBondContact O-N 3.42Å; E666-G668 PolarHBondContact O-N 2.79Å
667	R	84.4	Confident	88.7	Confident	96 Å²	96	67 Å²	67	36%	0.362	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	7.3	172.6	72.2	-177.9	-82.3	-122.1	-8.4	114.7	F663 M664 D665 T669	F663-R667 VanDerWaalsContact O-CG 3.24Å; F663-R667 WeakPolarHBondContact O-CG 3.29Å; F663-R667 PolarHBondContact O-N 3.17Å; M664-R667 VanDerWaalsContact CE-NH1 3.32Å; M664-R667 VanDerWaalsContact O-CG 3.27Å; M664-R667 WeakPolarHBondContact O-CG 3.14Å; M664-R667 PolarHBondContact SD-NH1 2.93Å; D665-R667 VanDerWaalsContact C-N 3.33Å; D665-R667 PolarHBondContact O-N 3.26Å; R667-T669 WeakPolarHBondContact CG-OG1 3.3Å; R667-T669 PolarHBondContact NE-OG1 2.65Å; R667-T669 PolarHBondContact NH1-OG1 3.41Å; R667-T669 PolarHBondContact O-N 2.89Å
668	G	86.8	Confident	88.2	Confident	60 Å²	60	66.6 Å²	66.6	62%	0.619	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	17.9	178.6	0	0	0	0	0	115.7	D665 E666 P670	D665-G668 WeakPolarHBondContact O-CA 3.48Å; D665-G668 PolarHBondContact O-N 3.25Å; E666-G668 PolarHBondContact O-N 2.79Å; G668-P670 WeakPolarHBondContact O-CD 3.45Å
669	T	89.3	Confident	87.6	Confident	62 Å²	62	71.6 Å²	71.6	38%	0.38	38%	0.381	S	S	.	.			trans	-125.7	60.3	177.9	68.6	0	0	0	0	112.3	M664 R667	M664-T669 CarbonylContact O-C 3.38Å; M664-T669 WeakPolarHBondContact O-CA 3.42Å; M664-T669 PolarHBondContact O-N 3.4Å; R667-T669 WeakPolarHBondContact CG-OG1 3.3Å; R667-T669 PolarHBondContact NE-OG1 2.65Å; R667-T669 PolarHBondContact NH1-OG1 3.41Å; R667-T669 PolarHBondContact O-N 2.89Å
670	P	86.3	Confident	87.3	Confident	57 Å²	57	71 Å²	71	37%	0.37	38%	0.377	S	S	.	.			trans	-60	140.3	-170	23.7	-35.8	0	0	0	113.7	D665 G668 N672	D665-P670 WeakPolarHBondContact OD1-CA 3.41Å; D665-P670 WeakPolarHBondContact OD1-CB 3.19Å; G668-P670 WeakPolarHBondContact O-CD 3.45Å; P670-N672 PolarHBondContact O-N 3.45Å
671	I	88.3	Confident	87.1	Confident	12 Å²	12	76.7 Å²	76.7	6%	0.062	41%	0.407	C	S	.	.			trans	-82.7	69.5	179	-55.8	-173.6	0	0	0	109.8	Y661 M664 K673 P675 L684 Y733	Y661-I671 HydrophobicContact CD1-CB 4.12Å; Y661-I671 HydrophobicContact CE1-CB 3.76Å; Y661-I671 HydrophobicContact CE1-CG2 3.92Å; Y661-I671 WeakPolarHBondContact CE1-O 3.23Å; Y661-I671 HydrophobicContact CE2-CG2 4.45Å; M664-I671 HydrophobicContact CB-CD1 4.19Å; M664-I671 HydrophobicContact CB-CG1 3.89Å; M664-I671 HydrophobicContact CG-CD1 3.68Å; M664-I671 HydrophobicContact CG-CG1 3.93Å; M664-I671 HydrophobicContact SD-CD1 4.12Å; M664-I671 HydrophobicContact SD-CG1 4.37Å; I671-K673 VanDerWaalsContact CG2-O 3.3Å; I671-K673 WeakPolarHBondContact CG2-O 3.48Å; I671-K673 PolarHBondContact O-N 2.9Å; I671-P675 HydrophobicContact CG2-CG 4.46Å; I671-L684 HydrophobicContact CD1-CD1 4.3Å; I671-Y733 HydrophobicContact CD1-CD1 3.85Å; I671-Y733 HydrophobicContact CD1-CG 4.42Å; I671-Y733 HydrophobicContact CG1-CD1 4.1Å
672	N	84.2	Confident	87.1	Confident	141 Å²	141	74 Å²	74	75%	0.754	40%	0.398	S	S	*	.			trans	-61.1	-14.1	-180	-72.1	-45.2	0	0	0	114.8	P670	P670-N672 PolarHBondContact O-N 3.45Å
673	K	82.6	Confident	87.1	Confident	177 Å²	177	68.1 Å²	68.1	77%	0.77	38%	0.378	S	S	*	.	S	Bend	trans	-148.1	137.2	174.8	-64.4	-175.1	-178.8	176.1	0	109.2	I671	I671-K673 VanDerWaalsContact CG2-O 3.3Å; I671-K673 WeakPolarHBondContact CG2-O 3.48Å; I671-K673 PolarHBondContact O-N 2.9Å
674	A	82.6	Confident	87.1	Confident	53 Å²	53	67 Å²	67	44%	0.438	37%	0.374	S	S	.	.			trans	-52.9	129.7	171.9	0	0	0	0	0	110.2	S676	A674-S676 PolarHBondContact O-N 3.01Å
675	P	85.4	Confident	87.1	Confident	10 Å²	10	68.4 Å²	68.4	7%	0.065	38%	0.379	C	S	.	.			trans	-61.8	133.3	174.6	-25.8	37.9	0	0	0	110.4	I671 L682 L684 Y733	I671-P675 HydrophobicContact CG2-CG 4.46Å; P675-L682 HydrophobicContact CB-CB 4.35Å; P675-L682 HydrophobicContact CB-CD2 4.45Å; P675-L682 WeakPolarHBondContact O-CB 3.44Å; P675-L682 PolarHBondContact O-N 2.98Å; P675-L684 HydrophobicContact CG-CD1 4.27Å; P675-L684 HydrophobicContact CG-CD2 4.2Å; P675-Y733 HydrophobicContact CB-CD2 3.84Å; P675-Y733 HydrophobicContact CB-CE2 3.54Å; P675-Y733 HydrophobicContact CG-CD1 4.14Å; P675-Y733 HydrophobicContact CG-CD2 3.47Å; P675-Y733 VanDerWaalsContact CG-CD2 3.47Å; P675-Y733 HydrophobicContact CG-CE1 4.08Å; P675-Y733 HydrophobicContact CG-CE2 3.41Å; P675-Y733 VanDerWaalsContact CG-CE2 3.41Å; P675-Y733 HydrophobicContact CG-CG 3.86Å
676	S	87.1	Confident	87.2	Confident	77 Å²	77	67.5 Å²	67.5	54%	0.538	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	138.1	-178	64.6	0	0	0	0	111.3	A674 K680	A674-S676 PolarHBondContact O-N 3.01Å; S676-K680 WeakPolarHBondContact CA-O 3.36Å
677	L	86.9	Confident	87.4	Confident	15 Å²	15	61.7 Å²	61.7	8%	0.079	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	132.5	177.1	-176	52.3	0	0	0	110	N679 K680 Y710 L715 F719 N725 L726	L677-N679 PolarHBondContact O-N 2.97Å; L677-N679 VanDerWaalsContact O-N 3.13Å; L677-K680 PolarHBondContact N-O 2.99Å; L677-K680 PolarHBondContact O-N 2.76Å; L677-K680 VanDerWaalsContact O-O 3.07Å; L677-Y710 HydrophobicContact CD2-CD2 4.37Å; L677-Y710 HydrophobicContact CD2-CE2 3.96Å; L677-Y710 HydrophobicContact CG-CE2 4.36Å; L677-L715 HydrophobicContact CD2-CD1 4Å; L677-L715 HydrophobicContact CG-CD1 4.46Å; L677-F719 HydrophobicContact CD1-CD1 4.39Å; L677-F719 HydrophobicContact CD1-CE1 3.96Å; L677-N725 HydrophobicContact CD1-CB 3.63Å; L677-N725 HydrophobicContact CD2-CB 4.32Å; L677-L726 HydrophobicContact CD2-CB 3.87Å; L677-L726 HydrophobicContact CD2-CD1 4.15Å
678	A	82.4	Confident	87.8	Confident	34 Å²	34	57.2 Å²	57.2	28%	0.281	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	36.4	-174.3	0	0	0	0	0	113.9	K680 P716	A678-K680 PolarHBondContact O-N 3.38Å; A678-P716 HydrophobicContact CB-CG 3.53Å
679	N	80.4	Confident	88.1	Confident	166 Å²	166	58.6 Å²	58.6	89%	0.888	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	17.8	-176.6	-54.4	-17.4	0	0	0	115.5	L677	L677-N679 PolarHBondContact O-N 2.97Å; L677-N679 VanDerWaalsContact O-N 3.13Å
680	K	84.8	Confident	88.3	Confident	54 Å²	54	56.8 Å²	56.8	24%	0.235	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	136.4	162.7	-168.5	164.3	178.3	173	0	107.7	D288 S676 L677 A678 D714 L715	D288-K680 IonicContact OD1-NZ 3.6Å; D288-K680 PolarHBondContact OD1-NZ 3.1Å; S676-K680 WeakPolarHBondContact CA-O 3.36Å; L677-K680 PolarHBondContact N-O 2.99Å; L677-K680 PolarHBondContact O-N 2.76Å; L677-K680 VanDerWaalsContact O-O 3.07Å; A678-K680 PolarHBondContact O-N 3.38Å; K680-D714 PolarHBondContact NZ-O 3.02Å; K680-L715 HydrophobicContact CB-CD2 4.12Å; K680-L715 HydrophobicContact CD-CD2 4.4Å; K680-L715 HydrophobicContact CG-CD2 4.47Å
681	D	88.9	Confident	88.6	Confident	119 Å²	119	54.1 Å²	54.1	64%	0.636	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69	136.1	175.3	-64.4	-35.9	0	0	0	109.1
682	L	90.2	Very high	88.7	Confident	13 Å²	13	56.9 Å²	56.9	7%	0.068	30%	0.299	C	S	.	.			trans	-87.4	115.1	-169.1	-174.1	65.1	0	0	0	110.7	P675 L684 L687 M713 L715 L726 A729	P675-L682 HydrophobicContact CB-CB 4.35Å; P675-L682 HydrophobicContact CB-CD2 4.45Å; P675-L682 WeakPolarHBondContact O-CB 3.44Å; P675-L682 PolarHBondContact O-N 2.98Å; L682-L684 HydrophobicContact CD2-CD2 4.36Å; L682-L684 HydrophobicContact CG-CD2 4.49Å; L682-L684 PolarHBondContact O-N 3.41Å; L682-L687 HydrophobicContact CD1-CD2 4.35Å; L682-L687 HydrophobicContact CD2-CD2 3.88Å; L682-L687 HydrophobicContact CG-CD2 4.23Å; L682-M713 HydrophobicContact CD1-CE 3.82Å; L682-L715 HydrophobicContact CD1-CD1 4.22Å; L682-L726 HydrophobicContact CD1-CD1 3.58Å; L682-L726 HydrophobicContact CD2-CD1 4.13Å; L682-L726 HydrophobicContact CG-CD1 4.48Å; L682-A729 HydrophobicContact CD2-CB 3.63Å
683	D	91.5	Very high	89.1	Confident	40 Å²	40	59 Å²	59	21%	0.214	30%	0.302	C	S	.	.			trans	-69	93.9	177.2	-173.8	-24.4	0	0	0	111.3	R653 Y685 K686 L687 M713	R653-D683 IonicContact CZ-OD1 3.52Å; R653-D683 IonicContact CZ-OD2 2.68Å; R653-D683 IonicContact NH1-OD1 3.68Å; R653-D683 PolarHBondContact NH1-OD1 2.92Å; R653-D683 IonicContact NH1-OD2 2.95Å; R653-D683 PolarHBondContact NH1-OD2 3.4Å; R653-D683 IonicContact NH2-OD1 2.65Å; R653-D683 PolarHBondContact NH2-OD1 2.98Å; R653-D683 IonicContact NH2-OD2 3.22Å; R653-D683 PolarHBondContact NH2-OD2 2.81Å; D683-Y685 VanDerWaalsContact C-N 3.27Å; D683-Y685 PolarHBondContact O-N 2.94Å; D683-Y685 PolarHBondContact OD1-N 3.3Å; D683-Y685 VanDerWaalsContact OD1-N 3.13Å; D683-K686 HydrophobicContact CB-CB 3.93Å; D683-K686 PolarHBondContact O-N 3.25Å; D683-K686 PolarHBondContact OD1-N 2.91Å; D683-K686 WeakPolarHBondContact OD2-CB 3.11Å; D683-L687 VanDerWaalsContact O-CB 3.29Å; D683-L687 WeakPolarHBondContact O-CB 3.41Å; D683-L687 PolarHBondContact O-N 2.82Å; D683-M713 HydrophobicContact CB-CE 4.09Å; D683-M713 WeakPolarHBondContact O-CE 3.31Å
684	L	92.7	Very high	89.5	Confident	11 Å²	11	52.4 Å²	52.4	6%	0.058	28%	0.275	C	S	.	.	H	α-helix	trans	-61.2	-31.4	-177.7	-64.3	-176.7	0	0	0	113.4	W656 L660 I671 P675 L682 Y688 L734	W656-L684 HydrophobicContact CZ3-CB 4.37Å; L660-L684 HydrophobicContact CD2-CB 4.27Å; L660-L684 HydrophobicContact CD2-CD1 3.97Å; I671-L684 HydrophobicContact CD1-CD1 4.3Å; P675-L684 HydrophobicContact CG-CD1 4.27Å; P675-L684 HydrophobicContact CG-CD2 4.2Å; L682-L684 HydrophobicContact CD2-CD2 4.36Å; L682-L684 HydrophobicContact CG-CD2 4.49Å; L682-L684 PolarHBondContact O-N 3.41Å; L684-Y688 VanDerWaalsContact O-CB 3.29Å; L684-Y688 WeakPolarHBondContact O-CB 3.18Å; L684-Y688 PolarHBondContact O-N 3.46Å; L684-L734 HydrophobicContact CB-CD2 4.26Å; L684-L734 HydrophobicContact CD2-CD1 4.34Å; L684-L734 HydrophobicContact CD2-CG 4.36Å
685	Y	93	Very high	89.7	Confident	30 Å²	30	51.2 Å²	51.2	12%	0.118	27%	0.268	C	S	.	.	H	α-helix	trans	-76.2	-46.2	179.5	-177.8	-105.5	0	0	0	111.7	R653 W656 D683 L687 Y688 K689	R653-Y685 HydrophobicContact CB-CD1 3.81Å; R653-Y685 HydrophobicContact CB-CD2 4.44Å; R653-Y685 HydrophobicContact CB-CE1 3.76Å; R653-Y685 HydrophobicContact CB-CE2 4.39Å; R653-Y685 HydrophobicContact CB-CG 4.13Å; R653-Y685 HydrophobicContact CG-CD1 3.77Å; R653-Y685 HydrophobicContact CG-CE1 4.26Å; R653-Y685 HydrophobicContact CG-CG 3.89Å; W656-Y685 HydrophobicContact CB-CD2 4.17Å; W656-Y685 HydrophobicContact CB-CE2 4.06Å; W656-Y685 AromaticContact CD2-CD2 3.69Å; W656-Y685 HydrophobicContact CD2-CD2 3.69Å; W656-Y685 HydrophobicContact CD2-CE2 4.24Å; W656-Y685 AromaticContact CE3-CD2 3.49Å; W656-Y685 HydrophobicContact CE3-CD2 3.49Å; W656-Y685 VanDerWaalsContact CE3-CD2 3.49Å; W656-Y685 HydrophobicContact CE3-CE2 4.44Å; W656-Y685 HydrophobicContact CE3-CG 4.25Å; W656-Y685 HydrophobicContact CG-CD2 4.02Å; W656-Y685 HydrophobicContact CG-CE2 4.11Å; W656-Y685 HydrophobicContact CZ3-CD2 4.05Å; W656-Y685 HydrophobicContact CZ3-CG 4.5Å; D683-Y685 VanDerWaalsContact C-N 3.27Å; D683-Y685 PolarHBondContact O-N 2.94Å; D683-Y685 PolarHBondContact OD1-N 3.3Å; D683-Y685 VanDerWaalsContact OD1-N 3.13Å; Y685-L687 VanDerWaalsContact C-N 3.32Å; Y685-L687 PolarHBondContact O-N 3.11Å; Y685-Y688 PolarHBondContact O-N 3.29Å; Y685-K689 HydrophobicContact CE1-CD 3.95Å; Y685-K689 HydrophobicContact CE2-CD 4.32Å; Y685-K689 PolarHBondContact O-N 2.84Å; Y685-K689 WeakPolarHBondContact OH-CE 3.4Å; Y685-K689 PolarHBondContact OH-NZ 2.98Å
686	K	92.9	Very high	90	Very high	68 Å²	68	50.8 Å²	50.8	30%	0.296	27%	0.265	S	S	.	.	H	α-helix	trans	-60.8	-44	173.3	-173.7	174.8	170.1	173.1	0	110	D683 L690 K712 M713 D714	D683-K686 HydrophobicContact CB-CB 3.93Å; D683-K686 PolarHBondContact O-N 3.25Å; D683-K686 PolarHBondContact OD1-N 2.91Å; D683-K686 WeakPolarHBondContact OD2-CB 3.11Å; K686-L690 WeakPolarHBondContact O-CB 3.4Å; K686-L690 PolarHBondContact O-N 3.21Å; K686-K712 WeakPolarHBondContact CE-O 3.43Å; K686-K712 PolarHBondContact NZ-O 3.16Å; K686-M713 HydrophobicContact CB-CE 4.42Å; K686-M713 HydrophobicContact CB-SD 4.13Å; K686-M713 HydrophobicContact CD-SD 4.22Å; K686-M713 HydrophobicContact CG-SD 3.81Å; K686-D714 IonicContact NZ-OD1 3.82Å; K686-D714 PolarHBondContact NZ-OD1 3.1Å; K686-D714 IonicContact NZ-OD2 2.78Å; K686-D714 PolarHBondContact NZ-OD2 3.3Å
687	L	94	Very high	90.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.1	-47.2	177.8	-143.5	-30.8	0	0	0	111.6	L682 D683 Y685 L690 V691 W706 V709 M713 L726 F730 L734	L682-L687 HydrophobicContact CD1-CD2 4.35Å; L682-L687 HydrophobicContact CD2-CD2 3.88Å; L682-L687 HydrophobicContact CG-CD2 4.23Å; D683-L687 VanDerWaalsContact O-CB 3.29Å; D683-L687 WeakPolarHBondContact O-CB 3.41Å; D683-L687 PolarHBondContact O-N 2.82Å; Y685-L687 VanDerWaalsContact C-N 3.32Å; Y685-L687 PolarHBondContact O-N 3.11Å; L687-L690 PolarHBondContact O-N 2.95Å; L687-V691 HydrophobicContact CD1-CG2 3.65Å; L687-V691 WeakPolarHBondContact O-CB 3.47Å; L687-V691 WeakPolarHBondContact O-CG2 3.33Å; L687-V691 PolarHBondContact O-N 3Å; L687-W706 HydrophobicContact CD1-CZ3 4.47Å; L687-V709 HydrophobicContact CD1-CG1 3.74Å; L687-M713 VanDerWaalsContact CA-SD 3.59Å; L687-M713 HydrophobicContact CB-CE 3.87Å; L687-M713 HydrophobicContact CB-SD 3.98Å; L687-M713 HydrophobicContact CG-CE 4.03Å; L687-M713 HydrophobicContact CG-CG 4.48Å; L687-M713 HydrophobicContact CG-SD 4.11Å; L687-L726 HydrophobicContact CD1-CD1 4.16Å; L687-L726 HydrophobicContact CD1-CG 4.34Å; L687-L726 HydrophobicContact CD2-CD1 3.74Å; L687-L726 HydrophobicContact CG-CD1 3.92Å; L687-F730 HydrophobicContact CD1-CD2 4.06Å; L687-F730 HydrophobicContact CD2-CB 4.41Å; L687-F730 HydrophobicContact CD2-CD2 4.17Å; L687-L734 HydrophobicContact CB-CD1 4.05Å; L687-L734 HydrophobicContact CD2-CD1 3.88Å
688	Y	93.9	Very high	90.4	Very high	3 Å²	3	52.4 Å²	52.4	1%	0.012	26%	0.263	C	S	.	.	H	α-helix	trans	-60.1	-55.6	177.9	-178.1	-91.3	0	0	0	111.3	W656 L684 Y685 L690 V691 H692 F730 W737 D738 S741 C749	W656-Y688 HydrophobicContact CH2-CD2 4.45Å; W656-Y688 AromaticContact CH2-CG 3.94Å; W656-Y688 HydrophobicContact CH2-CG 3.94Å; W656-Y688 AromaticContact CZ2-CD1 3.85Å; W656-Y688 HydrophobicContact CZ2-CD1 3.85Å; W656-Y688 AromaticContact CZ2-CD2 3.95Å; W656-Y688 HydrophobicContact CZ2-CD2 3.95Å; W656-Y688 AromaticContact CZ2-CG 3.55Å; W656-Y688 HydrophobicContact CZ2-CG 3.55Å; L684-Y688 VanDerWaalsContact O-CB 3.29Å; L684-Y688 WeakPolarHBondContact O-CB 3.18Å; L684-Y688 PolarHBondContact O-N 3.46Å; Y685-Y688 PolarHBondContact O-N 3.29Å; Y688-L690 VanDerWaalsContact C-N 3.29Å; Y688-L690 PolarHBondContact O-N 3.49Å; Y688-V691 PolarHBondContact O-N 3.02Å; Y688-H692 HydrophobicContact CE1-CB 4.35Å; Y688-H692 VanDerWaalsContact O-CB 3.28Å; Y688-H692 WeakPolarHBondContact O-CB 3.23Å; Y688-H692 PolarHBondContact O-N 2.91Å; Y688-F730 HydrophobicContact CD2-CZ 4.42Å; Y688-W737 AromaticContact CE2-CD1 3.79Å; Y688-D738 HydrophobicContact CE2-CB 4.04Å; Y688-S741 PolarHBondContact OH-OG 2.9Å; Y688-C749 WeakPolarHBondContact CE1-SG 3.37Å
689	K	92.4	Very high	90.9	Very high	88 Å²	88	57.6 Å²	57.6	38%	0.383	28%	0.276	S	S	.	.	H	α-helix	trans	-61.2	-35.2	-179	-81.2	-166.1	163.5	-177.5	0	112.9	Y685 K693	Y685-K689 HydrophobicContact CE1-CD 3.95Å; Y685-K689 HydrophobicContact CE2-CD 4.32Å; Y685-K689 PolarHBondContact O-N 2.84Å; Y685-K689 WeakPolarHBondContact OH-CE 3.4Å; Y685-K689 PolarHBondContact OH-NZ 2.98Å; K689-K693 WeakPolarHBondContact O-CB 3.4Å; K689-K693 VanDerWaalsContact O-CG 3.31Å; K689-K693 WeakPolarHBondContact O-CG 3.44Å; K689-K693 PolarHBondContact O-N 2.94Å
690	L	93.8	Very high	91.5	Very high	25 Å²	25	49.7 Å²	49.7	13%	0.131	23%	0.234	C	C	.	.	H	α-helix	trans	-69.6	-47.8	178.3	-161.7	-175.3	0	0	0	111.3	K686 L687 Y688 K693 L694 V709 K712 M713	K686-L690 WeakPolarHBondContact O-CB 3.4Å; K686-L690 PolarHBondContact O-N 3.21Å; L687-L690 PolarHBondContact O-N 2.95Å; Y688-L690 VanDerWaalsContact C-N 3.29Å; Y688-L690 PolarHBondContact O-N 3.49Å; L690-K693 PolarHBondContact O-N 3.27Å; L690-L694 HydrophobicContact CD2-CD1 3.56Å; L690-L694 HydrophobicContact CD2-CG 4.29Å; L690-L694 WeakPolarHBondContact O-CG 3.48Å; L690-L694 PolarHBondContact O-N 3.07Å; L690-V709 HydrophobicContact CD1-CG1 4.06Å; L690-V709 HydrophobicContact CD2-CB 4.31Å; L690-V709 HydrophobicContact CD2-CG1 4.07Å; L690-V709 HydrophobicContact CD2-CG2 3.97Å; L690-K712 HydrophobicContact CD1-CB 3.73Å; L690-K712 HydrophobicContact CG-CB 4.45Å; L690-M713 HydrophobicContact CD1-CG 3.85Å; L690-M713 HydrophobicContact CD1-SD 3.92Å
691	V	93.8	Very high	91.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-65.3	-39	175.8	168.4	0	0	0	0	111.2	L687 Y688 L694 G695 G696 V700 W706 V709 F730	L687-V691 HydrophobicContact CD1-CG2 3.65Å; L687-V691 WeakPolarHBondContact O-CB 3.47Å; L687-V691 WeakPolarHBondContact O-CG2 3.33Å; L687-V691 PolarHBondContact O-N 3Å; Y688-V691 PolarHBondContact O-N 3.02Å; V691-L694 CarbonylContact O-C 3.59Å; V691-L694 PolarHBondContact O-N 2.96Å; V691-G695 PolarHBondContact O-N 3.47Å; V691-G696 WeakPolarHBondContact O-CA 3.1Å; V691-G696 PolarHBondContact O-N 2.98Å; V691-V700 HydrophobicContact CB-CG2 4.49Å; V691-V700 HydrophobicContact CG1-CG2 4.02Å; V691-W706 HydrophobicContact CG1-CH2 4.43Å; V691-W706 HydrophobicContact CG2-CH2 3.87Å; V691-W706 HydrophobicContact CG2-CZ3 3.84Å; V691-V709 HydrophobicContact CG2-CG1 3.97Å; V691-V709 HydrophobicContact CG2-CG2 4.36Å; V691-F730 HydrophobicContact CB-CD2 4.15Å; V691-F730 HydrophobicContact CB-CE2 3.6Å; V691-F730 HydrophobicContact CB-CZ 4.24Å; V691-F730 HydrophobicContact CG1-CD2 4.17Å; V691-F730 HydrophobicContact CG1-CE1 4.45Å; V691-F730 HydrophobicContact CG1-CE2 3.56Å; V691-F730 HydrophobicContact CG1-CZ 3.73Å; V691-F730 HydrophobicContact CG2-CD2 3.89Å; V691-F730 HydrophobicContact CG2-CE2 3.88Å
692	H	90.2	Very high	91.8	Very high	70 Å²	70	47 Å²	47	32%	0.324	23%	0.231	S	C	.	.	H	α-helix	trans	-62.5	-46.7	176.1	-159	-95.8	0	0	0	111.9	Y688 L694 G695	Y688-H692 HydrophobicContact CE1-CB 4.35Å; Y688-H692 VanDerWaalsContact O-CB 3.28Å; Y688-H692 WeakPolarHBondContact O-CB 3.23Å; Y688-H692 PolarHBondContact O-N 2.91Å; H692-L694 PolarHBondContact O-N 2.88Å; H692-L694 VanDerWaalsContact O-N 3.16Å; H692-G695 PolarHBondContact O-N 3.44Å
693	K	91.9	Very high	91.9	Very high	187 Å²	187	50.8 Å²	50.8	81%	0.813	25%	0.248	S	C	*	.	H	α-helix	trans	-58.3	-25.6	173.6	-80.4	-172.8	174	-159.6	0	113.9	K689 L690 G695	K689-K693 WeakPolarHBondContact O-CB 3.4Å; K689-K693 VanDerWaalsContact O-CG 3.31Å; K689-K693 WeakPolarHBondContact O-CG 3.44Å; K689-K693 PolarHBondContact O-N 2.94Å; L690-K693 PolarHBondContact O-N 3.27Å; K693-G695 VanDerWaalsContact C-N 3.33Å
694	L	90.8	Very high	91.9	Very high	37 Å²	37	55.9 Å²	55.9	19%	0.194	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	11.8	175.1	-65.3	171.8	0	0	0	113.6	L690 V691 H692 V700 Y708 V709	L690-L694 HydrophobicContact CD2-CD1 3.56Å; L690-L694 HydrophobicContact CD2-CG 4.29Å; L690-L694 WeakPolarHBondContact O-CG 3.48Å; L690-L694 PolarHBondContact O-N 3.07Å; V691-L694 CarbonylContact O-C 3.59Å; V691-L694 PolarHBondContact O-N 2.96Å; H692-L694 PolarHBondContact O-N 2.88Å; H692-L694 VanDerWaalsContact O-N 3.16Å; L694-V700 HydrophobicContact CB-CG2 3.51Å; L694-V700 HydrophobicContact CD1-CG2 4.21Å; L694-Y708 HydrophobicContact CD1-CD1 3.9Å; L694-Y708 HydrophobicContact CD1-CE1 4.15Å; L694-Y708 HydrophobicContact CD2-CE1 4.29Å; L694-V709 HydrophobicContact CD1-CG2 3.61Å
695	G	87.1	Confident	91.9	Very high	29 Å²	29	59.3 Å²	59.3	30%	0.299	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	92	19.9	177.6	0	0	0	0	0	115.2	V691 H692 K693 R699	V691-G695 PolarHBondContact O-N 3.47Å; H692-G695 PolarHBondContact O-N 3.44Å; K693-G695 VanDerWaalsContact C-N 3.33Å; G695-R699 WeakPolarHBondContact O-CD 3.27Å
696	G	90.7	Very high	92	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.01	29%	0.286	C	S	.	.	H	α-helix	trans	78.3	175.5	176.3	0	0	0	0	0	114.6	V691 H698 R699 V700	V691-G696 WeakPolarHBondContact O-CA 3.1Å; V691-G696 PolarHBondContact O-N 2.98Å; G696-H698 VanDerWaalsContact C-N 3.29Å; G696-H698 PolarHBondContact O-N 3.09Å; G696-H698 VanDerWaalsContact O-N 3.14Å; G696-R699 PolarHBondContact O-N 2.91Å; G696-V700 PolarHBondContact O-N 3.3Å; G696-V700 VanDerWaalsContact O-N 3.1Å
697	F	91.5	Very high	91.8	Very high	14 Å²	14	56.8 Å²	56.8	6%	0.061	29%	0.288	C	S	.	.	H	α-helix	trans	-50.9	-42.6	-171.1	-178.6	-100.1	0	0	0	114.8	S701 W706 Q727 F730 K731 Y735	F697-S701 VanDerWaalsContact O-CB 3.24Å; F697-S701 WeakPolarHBondContact O-CB 2.97Å; F697-S701 PolarHBondContact O-N 3.16Å; F697-S701 PolarHBondContact O-OG 3Å; F697-W706 AromaticContact CD2-CH2 3.81Å; F697-W706 HydrophobicContact CD2-CH2 3.81Å; F697-W706 AromaticContact CD2-CZ2 3.48Å; F697-W706 HydrophobicContact CD2-CZ2 3.48Å; F697-W706 VanDerWaalsContact CD2-CZ2 3.48Å; F697-W706 HydrophobicContact CE2-CH2 4.08Å; F697-W706 AromaticContact CE2-CZ2 3.6Å; F697-W706 HydrophobicContact CE2-CZ2 3.6Å; F697-W706 HydrophobicContact CG-CZ2 4.43Å; F697-Q727 HydrophobicContact CE2-CG 3.8Å; F697-Q727 HydrophobicContact CZ-CG 4Å; F697-F730 HydrophobicContact CB-CD1 4.16Å; F697-F730 HydrophobicContact CB-CE1 3.78Å; F697-F730 HydrophobicContact CD2-CB 4.39Å; F697-F730 AromaticContact CD2-CD1 3.34Å; F697-F730 HydrophobicContact CD2-CD1 3.34Å; F697-F730 AromaticContact CD2-CE1 3.89Å; F697-F730 HydrophobicContact CD2-CE1 3.89Å; F697-F730 HydrophobicContact CD2-CG 4.04Å; F697-F730 HydrophobicContact CE2-CB 4.48Å; F697-F730 HydrophobicContact CE2-CD1 4.07Å; F697-F730 HydrophobicContact CG-CD1 4.09Å; F697-F730 HydrophobicContact CG-CE1 4.2Å; F697-K731 HydrophobicContact CE2-CB 4.1Å; F697-K731 HydrophobicContact CZ-CB 4.04Å; F697-K731 HydrophobicContact CZ-CD 4.24Å; F697-K731 HydrophobicContact CZ-CG 4.3Å; F697-Y735 HydrophobicContact CB-CD2 3.86Å; F697-Y735 HydrophobicContact CB-CE2 4.28Å; F697-Y735 AromaticContact CD1-CD2 3.44Å; F697-Y735 HydrophobicContact CD1-CD2 3.44Å; F697-Y735 VanDerWaalsContact CD1-CD2 3.44Å; F697-Y735 AromaticContact CD1-CE2 3.49Å; F697-Y735 HydrophobicContact CD1-CE2 3.49Å; F697-Y735 VanDerWaalsContact CD1-CE2 3.49Å; F697-Y735 HydrophobicContact CD2-CD2 4.25Å; F697-Y735 HydrophobicContact CE1-CD2 4.01Å; F697-Y735 HydrophobicContact CE1-CE2 4.09Å; F697-Y735 AromaticContact CG-CD2 3.58Å; F697-Y735 HydrophobicContact CG-CD2 3.58Å; F697-Y735 HydrophobicContact CG-CE2 4.05Å
698	H	91.3	Very high	91.7	Very high	111 Å²	111	62.7 Å²	62.7	51%	0.514	31%	0.311	S	S	.	.	H	α-helix	trans	-67.7	-45.5	-177.4	-69	117.6	0	0	0	112.6	G696 S701 S702 Y735	G696-H698 VanDerWaalsContact C-N 3.29Å; G696-H698 PolarHBondContact O-N 3.09Å; G696-H698 VanDerWaalsContact O-N 3.14Å; H698-S701 PolarHBondContact O-N 3.16Å; H698-S702 PolarHBondContact O-N 3.09Å; H698-S702 PolarHBondContact O-OG 2.79Å; H698-Y735 AromaticContact CE1-CE2 3.67Å; H698-Y735 AromaticContact CE1-CZ 4Å; H698-Y735 PolarHBondContact CE1-OH 2.91Å; H698-Y735 AromaticContact NE2-CE2 3.87Å
699	R	92.4	Very high	91.7	Very high	143 Å²	143	62.6 Å²	62.6	54%	0.54	31%	0.311	S	S	.	.	H	α-helix	trans	-69.6	-38	178.6	-68.3	178.4	66	-162.9	6.9	112.1	G695 G696 S701 S702 Q703	G695-R699 WeakPolarHBondContact O-CD 3.27Å; G696-R699 PolarHBondContact O-N 2.91Å; R699-S701 VanDerWaalsContact C-N 3.31Å; R699-S701 PolarHBondContact O-N 2.98Å; R699-S702 PolarHBondContact O-OG 3Å; R699-Q703 VanDerWaalsContact O-CB 3.28Å; R699-Q703 WeakPolarHBondContact O-CB 3.13Å; R699-Q703 WeakPolarHBondContact O-CG 3.2Å; R699-Q703 PolarHBondContact O-N 2.88Å; R699-Q703 VanDerWaalsContact O-N 3.09Å
700	V	93.2	Very high	91.7	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-64.5	-37.1	173.3	179.1	0	0	0	0	111.5	V691 L694 G696 L704 K705 W706 V709	V691-V700 HydrophobicContact CB-CG2 4.49Å; V691-V700 HydrophobicContact CG1-CG2 4.02Å; L694-V700 HydrophobicContact CB-CG2 3.51Å; L694-V700 HydrophobicContact CD1-CG2 4.21Å; G696-V700 PolarHBondContact O-N 3.3Å; G696-V700 VanDerWaalsContact O-N 3.1Å; V700-L704 PolarHBondContact O-N 2.87Å; V700-K705 HydrophobicContact CG1-CB 4.09Å; V700-K705 PolarHBondContact O-N 3.22Å; V700-W706 HydrophobicContact CB-CZ2 4.14Å; V700-W706 HydrophobicContact CG1-CD2 3.62Å; V700-W706 VanDerWaalsContact CG1-CE2 3.49Å; V700-W706 HydrophobicContact CG1-CE3 4.04Å; V700-W706 HydrophobicContact CG1-CG 3.99Å; V700-W706 HydrophobicContact CG1-CH2 4.2Å; V700-W706 HydrophobicContact CG1-CZ2 3.8Å; V700-W706 HydrophobicContact CG1-CZ3 4.32Å; V700-V709 HydrophobicContact CG1-CG2 3.7Å
701	S	90.3	Very high	91.5	Very high	25 Å²	25	60.2 Å²	60.2	18%	0.175	31%	0.307	C	S	.	.	H	α-helix	trans	-73.9	-45.7	178.8	-60.9	0	0	0	0	113.6	F697 H698 R699 L704 W706 Q727	F697-S701 VanDerWaalsContact O-CB 3.24Å; F697-S701 WeakPolarHBondContact O-CB 2.97Å; F697-S701 PolarHBondContact O-N 3.16Å; F697-S701 PolarHBondContact O-OG 3Å; H698-S701 PolarHBondContact O-N 3.16Å; R699-S701 VanDerWaalsContact C-N 3.31Å; R699-S701 PolarHBondContact O-N 2.98Å; S701-L704 PolarHBondContact O-N 3.14Å; S701-W706 VanDerWaalsContact CA-NE1 3.35Å; S701-W706 PolarHBondContact OG-NE1 3.29Å; S701-Q727 PolarHBondContact OG-NE2 2.76Å
702	S	91.1	Very high	91.4	Very high	92 Å²	92	65.6 Å²	65.6	64%	0.643	33%	0.33	S	S	*	.	H	α-helix	trans	-68.6	-36.3	179.8	61.7	0	0	0	0	112.4	H698 R699 L704	H698-S702 PolarHBondContact O-N 3.09Å; H698-S702 PolarHBondContact O-OG 2.79Å; R699-S702 PolarHBondContact O-OG 3Å; S702-L704 VanDerWaalsContact C-N 3.26Å; S702-L704 PolarHBondContact O-N 3.25Å
703	Q	91.9	Very high	91.3	Very high	92 Å²	92	62.6 Å²	62.6	43%	0.43	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	8.9	177.4	-58.5	-175.3	-16	0	0	113.3	R699 K705	R699-Q703 VanDerWaalsContact O-CB 3.28Å; R699-Q703 WeakPolarHBondContact O-CB 3.13Å; R699-Q703 WeakPolarHBondContact O-CG 3.2Å; R699-Q703 PolarHBondContact O-N 2.88Å; R699-Q703 VanDerWaalsContact O-N 3.09Å; Q703-K705 HydrophobicContact CB-CD 4Å; Q703-K705 HydrophobicContact CB-CG 3.99Å; Q703-K705 PolarHBondContact O-N 2.87Å; Q703-K705 VanDerWaalsContact OE1-CE 3.24Å
704	L	90.5	Very high	90.9	Very high	148 Å²	148	57.5 Å²	57.5	78%	0.775	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	18.5	-179.4	-68.4	160.5	0	0	0	114.9	V700 S701 S702 W706	V700-L704 PolarHBondContact O-N 2.87Å; S701-L704 PolarHBondContact O-N 3.14Å; S702-L704 VanDerWaalsContact C-N 3.26Å; S702-L704 PolarHBondContact O-N 3.25Å; L704-W706 PolarHBondContact O-N 3.46Å
705	K	93.3	Very high	90.7	Very high	83 Å²	83	56.4 Å²	56.4	36%	0.361	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-0.2	-172.1	-77.8	177.8	174.1	171.7	0	114.6	V700 Q703 G707 Y708 V709	V700-K705 HydrophobicContact CG1-CB 4.09Å; V700-K705 PolarHBondContact O-N 3.22Å; Q703-K705 HydrophobicContact CB-CD 4Å; Q703-K705 HydrophobicContact CB-CG 3.99Å; Q703-K705 PolarHBondContact O-N 2.87Å; Q703-K705 VanDerWaalsContact OE1-CE 3.24Å; K705-G707 PolarHBondContact O-N 2.74Å; K705-G707 VanDerWaalsContact O-N 3.11Å; K705-Y708 WeakPolarHBondContact O-CB 3.26Å; K705-Y708 PolarHBondContact O-N 3.02Å; K705-V709 WeakPolarHBondContact O-CG2 3.1Å; K705-V709 PolarHBondContact O-N 3Å
706	W	94	Very high	90.3	Very high	11 Å²	11	57.1 Å²	57.1	4%	0.042	29%	0.292	C	S	.	.	H	α-helix	trans	-54.9	-27.2	175.4	-69.1	106.7	0	0	0	114.1	L687 V691 F697 V700 S701 L704 V709 Y710 P723 L726 Q727 F730	L687-W706 HydrophobicContact CD1-CZ3 4.47Å; V691-W706 HydrophobicContact CG1-CH2 4.43Å; V691-W706 HydrophobicContact CG2-CH2 3.87Å; V691-W706 HydrophobicContact CG2-CZ3 3.84Å; F697-W706 AromaticContact CD2-CH2 3.81Å; F697-W706 HydrophobicContact CD2-CH2 3.81Å; F697-W706 AromaticContact CD2-CZ2 3.48Å; F697-W706 HydrophobicContact CD2-CZ2 3.48Å; F697-W706 VanDerWaalsContact CD2-CZ2 3.48Å; F697-W706 HydrophobicContact CE2-CH2 4.08Å; F697-W706 AromaticContact CE2-CZ2 3.6Å; F697-W706 HydrophobicContact CE2-CZ2 3.6Å; F697-W706 HydrophobicContact CG-CZ2 4.43Å; V700-W706 HydrophobicContact CB-CZ2 4.14Å; V700-W706 HydrophobicContact CG1-CD2 3.62Å; V700-W706 VanDerWaalsContact CG1-CE2 3.49Å; V700-W706 HydrophobicContact CG1-CE3 4.04Å; V700-W706 HydrophobicContact CG1-CG 3.99Å; V700-W706 HydrophobicContact CG1-CH2 4.2Å; V700-W706 HydrophobicContact CG1-CZ2 3.8Å; V700-W706 HydrophobicContact CG1-CZ3 4.32Å; S701-W706 VanDerWaalsContact CA-NE1 3.35Å; S701-W706 PolarHBondContact OG-NE1 3.29Å; L704-W706 PolarHBondContact O-N 3.46Å; W706-V709 HydrophobicContact CE3-CB 4.36Å; W706-V709 HydrophobicContact CE3-CG1 4.41Å; W706-V709 HydrophobicContact CZ3-CG1 4.42Å; W706-Y710 VanDerWaalsContact O-CB 3.31Å; W706-Y710 WeakPolarHBondContact O-CB 3.34Å; W706-Y710 PolarHBondContact O-N 3.27Å; W706-P723 HydrophobicContact CB-CB 3.92Å; W706-L726 HydrophobicContact CE3-CG 4.32Å; W706-L726 HydrophobicContact CZ3-CG 4.44Å; W706-Q727 HydrophobicContact CD2-CB 3.66Å; W706-Q727 HydrophobicContact CD2-CG 4.07Å; W706-Q727 HydrophobicContact CE3-CB 4.06Å; W706-Q727 HydrophobicContact CG-CB 4.02Å; W706-Q727 HydrophobicContact CG-CG 4.44Å; W706-Q727 HydrophobicContact CZ2-CB 4.14Å; W706-Q727 HydrophobicContact CZ2-CG 3.83Å; W706-Q727 HydrophobicContact CZ3-CB 4.46Å; W706-F730 HydrophobicContact CH2-CB 3.81Å; W706-F730 HydrophobicContact CH2-CD2 4.2Å; W706-F730 AromaticContact CH2-CG 3.92Å; W706-F730 HydrophobicContact CH2-CG 3.92Å; W706-F730 HydrophobicContact CZ3-CB 4.18Å
707	G	90.4	Very high	89.5	Confident	33 Å²	33	64.5 Å²	64.5	34%	0.34	33%	0.326	S	S	.	.	H	α-helix	trans	-61.3	-52.4	170.2	0	0	0	0	0	112.4	K705 V709 Y710 S711	K705-G707 PolarHBondContact O-N 2.74Å; K705-G707 VanDerWaalsContact O-N 3.11Å; G707-V709 PolarHBondContact O-N 3.44Å; G707-Y710 WeakPolarHBondContact O-CB 3.46Å; G707-Y710 PolarHBondContact O-N 3.29Å; G707-Y710 VanDerWaalsContact O-N 3.14Å; G707-S711 PolarHBondContact O-N 2.78Å; G707-S711 PolarHBondContact O-OG 3.22Å
708	Y	92.2	Very high	88.5	Confident	125 Å²	125	70.8 Å²	70.8	49%	0.49	36%	0.36	S	S	.	.	H	α-helix	trans	-60.1	-42.4	175.6	177.6	-86	0	0	0	112.2	L694 K705 Y710 S711 K712	L694-Y708 HydrophobicContact CD1-CD1 3.9Å; L694-Y708 HydrophobicContact CD1-CE1 4.15Å; L694-Y708 HydrophobicContact CD2-CE1 4.29Å; K705-Y708 WeakPolarHBondContact O-CB 3.26Å; K705-Y708 PolarHBondContact O-N 3.02Å; Y708-Y710 VanDerWaalsContact C-N 3.32Å; Y708-Y710 PolarHBondContact O-N 3.08Å; Y708-S711 PolarHBondContact O-N 3.04Å; Y708-K712 HydrophobicContact CD1-CG 4.22Å; Y708-K712 HydrophobicContact CE1-CG 3.8Å; Y708-K712 HydrophobicContact CE2-CG 4.32Å; Y708-K712 WeakPolarHBondContact O-CB 3.48Å; Y708-K712 PolarHBondContact O-N 2.8Å
709	V	93.2	Very high	87.7	Confident	0 Å²	0	69 Å²	69	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-60.5	-43.1	174.8	-175.4	0	0	0	0	110.7	L687 L690 V691 L694 V700 K705 W706 G707 K712 M713 L726	L687-V709 HydrophobicContact CD1-CG1 3.74Å; L690-V709 HydrophobicContact CD1-CG1 4.06Å; L690-V709 HydrophobicContact CD2-CB 4.31Å; L690-V709 HydrophobicContact CD2-CG1 4.07Å; L690-V709 HydrophobicContact CD2-CG2 3.97Å; V691-V709 HydrophobicContact CG2-CG1 3.97Å; V691-V709 HydrophobicContact CG2-CG2 4.36Å; L694-V709 HydrophobicContact CD1-CG2 3.61Å; V700-V709 HydrophobicContact CG1-CG2 3.7Å; K705-V709 WeakPolarHBondContact O-CG2 3.1Å; K705-V709 PolarHBondContact O-N 3Å; W706-V709 HydrophobicContact CE3-CB 4.36Å; W706-V709 HydrophobicContact CE3-CG1 4.41Å; W706-V709 HydrophobicContact CZ3-CG1 4.42Å; G707-V709 PolarHBondContact O-N 3.44Å; V709-K712 PolarHBondContact O-N 2.82Å; V709-M713 HydrophobicContact CG1-CG 4.24Å; V709-M713 WeakPolarHBondContact O-CB 3.26Å; V709-M713 WeakPolarHBondContact O-CG 3.15Å; V709-M713 PolarHBondContact O-N 2.9Å; V709-L726 HydrophobicContact CB-CD2 4.26Å; V709-L726 HydrophobicContact CG1-CD2 3.82Å
710	Y	91.9	Very high	86.6	Confident	6 Å²	6	68 Å²	68	2%	0.024	37%	0.365	C	S	.	.	H	α-helix	trans	-62.8	-46.2	179.2	-173.1	-88.5	0	0	0	112.2	L677 W706 G707 Y708 K712 M713 L715 P716 P723 L726	L677-Y710 HydrophobicContact CD2-CD2 4.37Å; L677-Y710 HydrophobicContact CD2-CE2 3.96Å; L677-Y710 HydrophobicContact CG-CE2 4.36Å; W706-Y710 VanDerWaalsContact O-CB 3.31Å; W706-Y710 WeakPolarHBondContact O-CB 3.34Å; W706-Y710 PolarHBondContact O-N 3.27Å; G707-Y710 WeakPolarHBondContact O-CB 3.46Å; G707-Y710 PolarHBondContact O-N 3.29Å; G707-Y710 VanDerWaalsContact O-N 3.14Å; Y708-Y710 VanDerWaalsContact C-N 3.32Å; Y708-Y710 PolarHBondContact O-N 3.08Å; Y710-K712 PolarHBondContact O-N 3.13Å; Y710-M713 PolarHBondContact O-N 2.81Å; Y710-L715 HydrophobicContact CD1-CB 4.26Å; Y710-L715 HydrophobicContact CD2-CB 4.14Å; Y710-L715 HydrophobicContact CD2-CD1 3.67Å; Y710-L715 HydrophobicContact CE1-CB 3.79Å; Y710-L715 HydrophobicContact CE2-CB 3.65Å; Y710-L715 HydrophobicContact CE2-CD1 3.57Å; Y710-L715 HydrophobicContact CE2-CG 4.24Å; Y710-L715 HydrophobicContact CG-CB 4.42Å; Y710-L715 HydrophobicContact CG-CD1 4.44Å; Y710-L715 VanDerWaalsContact CZ-CB 3.46Å; Y710-P716 VanDerWaalsContact CE1-O 3.3Å; Y710-P716 WeakPolarHBondContact CE1-O 3.34Å; Y710-P716 PolarHBondContact OH-O 3.08Å; Y710-P723 HydrophobicContact CG-CG 4.24Å; Y710-L726 HydrophobicContact CD2-CB 4.3Å; Y710-L726 HydrophobicContact CD2-CD2 4.06Å; Y710-L726 HydrophobicContact CG-CD2 4.47Å
711	S	90	Very high	86	Confident	58 Å²	58	70.1 Å²	70.1	41%	0.406	38%	0.383	S	S	.	.	H	α-helix	trans	-63.3	-39.7	175.3	-62.1	0	0	0	0	112.8	G707 Y708 M713 D714	G707-S711 PolarHBondContact O-N 2.78Å; G707-S711 PolarHBondContact O-OG 3.22Å; Y708-S711 PolarHBondContact O-N 3.04Å; S711-M713 VanDerWaalsContact C-N 3.25Å; S711-M713 PolarHBondContact O-N 2.68Å; S711-D714 PolarHBondContact O-N 3.41Å
712	K	91.2	Very high	85.9	Confident	113 Å²	113	68.9 Å²	68.9	49%	0.491	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-2.1	177.5	-71.9	-68.3	-170.5	-177.1	0	114.3	K686 L690 Y708 V709 Y710	K686-K712 WeakPolarHBondContact CE-O 3.43Å; K686-K712 PolarHBondContact NZ-O 3.16Å; L690-K712 HydrophobicContact CD1-CB 3.73Å; L690-K712 HydrophobicContact CG-CB 4.45Å; Y708-K712 HydrophobicContact CD1-CG 4.22Å; Y708-K712 HydrophobicContact CE1-CG 3.8Å; Y708-K712 HydrophobicContact CE2-CG 4.32Å; Y708-K712 WeakPolarHBondContact O-CB 3.48Å; Y708-K712 PolarHBondContact O-N 2.8Å; V709-K712 PolarHBondContact O-N 2.82Å; Y710-K712 PolarHBondContact O-N 3.13Å
713	M	87.4	Confident	85.8	Confident	7 Å²	7	66.2 Å²	66.2	3%	0.034	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	7.4	173.7	-79.5	-63.6	-59.4	0	0	113.4	L682 D683 K686 L687 L690 V709 Y710 S711 L715 L726	L682-M713 HydrophobicContact CD1-CE 3.82Å; D683-M713 HydrophobicContact CB-CE 4.09Å; D683-M713 WeakPolarHBondContact O-CE 3.31Å; K686-M713 HydrophobicContact CB-CE 4.42Å; K686-M713 HydrophobicContact CB-SD 4.13Å; K686-M713 HydrophobicContact CD-SD 4.22Å; K686-M713 HydrophobicContact CG-SD 3.81Å; L687-M713 VanDerWaalsContact CA-SD 3.59Å; L687-M713 HydrophobicContact CB-CE 3.87Å; L687-M713 HydrophobicContact CB-SD 3.98Å; L687-M713 HydrophobicContact CG-CE 4.03Å; L687-M713 HydrophobicContact CG-CG 4.48Å; L687-M713 HydrophobicContact CG-SD 4.11Å; L690-M713 HydrophobicContact CD1-CG 3.85Å; L690-M713 HydrophobicContact CD1-SD 3.92Å; V709-M713 HydrophobicContact CG1-CG 4.24Å; V709-M713 WeakPolarHBondContact O-CB 3.26Å; V709-M713 WeakPolarHBondContact O-CG 3.15Å; V709-M713 PolarHBondContact O-N 2.9Å; Y710-M713 PolarHBondContact O-N 2.81Å; S711-M713 VanDerWaalsContact C-N 3.25Å; S711-M713 PolarHBondContact O-N 2.68Å; M713-L715 HydrophobicContact CB-CD1 3.9Å; M713-L715 HydrophobicContact CB-CG 4.01Å; M713-L715 PolarHBondContact O-N 2.74Å; M713-L726 HydrophobicContact CG-CD2 4.37Å
714	D	84.5	Confident	85.6	Confident	80 Å²	80	70.6 Å²	70.6	43%	0.428	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	33.8	178.6	-21.8	-46	0	0	0	112.6	K680 K686 S711	K680-D714 PolarHBondContact NZ-O 3.02Å; K686-D714 IonicContact NZ-OD1 3.82Å; K686-D714 PolarHBondContact NZ-OD1 3.1Å; K686-D714 IonicContact NZ-OD2 2.78Å; K686-D714 PolarHBondContact NZ-OD2 3.3Å; S711-D714 PolarHBondContact O-N 3.41Å
715	L	86.6	Confident	85.6	Confident	13 Å²	13	67 Å²	67	7%	0.068	35%	0.349	C	S	.	.			trans	-94.8	146.1	178.1	-65.6	171.8	0	0	0	110.3	L677 K680 L682 Y710 M713 Q717 L726	L677-L715 HydrophobicContact CD2-CD1 4Å; L677-L715 HydrophobicContact CG-CD1 4.46Å; K680-L715 HydrophobicContact CB-CD2 4.12Å; K680-L715 HydrophobicContact CD-CD2 4.4Å; K680-L715 HydrophobicContact CG-CD2 4.47Å; L682-L715 HydrophobicContact CD1-CD1 4.22Å; Y710-L715 HydrophobicContact CD1-CB 4.26Å; Y710-L715 HydrophobicContact CD2-CB 4.14Å; Y710-L715 HydrophobicContact CD2-CD1 3.67Å; Y710-L715 HydrophobicContact CE1-CB 3.79Å; Y710-L715 HydrophobicContact CE2-CB 3.65Å; Y710-L715 HydrophobicContact CE2-CD1 3.57Å; Y710-L715 HydrophobicContact CE2-CG 4.24Å; Y710-L715 HydrophobicContact CG-CB 4.42Å; Y710-L715 HydrophobicContact CG-CD1 4.44Å; Y710-L715 VanDerWaalsContact CZ-CB 3.46Å; M713-L715 HydrophobicContact CB-CD1 3.9Å; M713-L715 HydrophobicContact CB-CG 4.01Å; M713-L715 PolarHBondContact O-N 2.74Å; L715-Q717 PolarHBondContact O-N 3.01Å; L715-L726 HydrophobicContact CD1-CD1 4.2Å; L715-L726 HydrophobicContact CD1-CD2 4.46Å
716	P	79	Confident	85.6	Confident	45 Å²	45	63 Å²	63	29%	0.292	33%	0.332	S	S	.	.			trans	-67.2	122.2	-173.1	28.5	-36	0	0	0	111.4	A678 Y710 N718 F719	A678-P716 HydrophobicContact CB-CG 3.53Å; Y710-P716 VanDerWaalsContact CE1-O 3.3Å; Y710-P716 WeakPolarHBondContact CE1-O 3.34Å; Y710-P716 PolarHBondContact OH-O 3.08Å; P716-N718 PolarHBondContact O-N 3.24Å; P716-F719 PolarHBondContact O-N 3.49Å
717	Q	74.2	Confident	85.5	Confident	155 Å²	155	65.2 Å²	65.2	72%	0.724	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-13	-171.3	-167.9	158.4	-30.5	0	0	114.3	L715 F719	L715-Q717 PolarHBondContact O-N 3.01Å; Q717-F719 PolarHBondContact O-N 3.35Å
718	N	69.6	Low	85.6	Confident	147 Å²	147	66.3 Å²	66.3	79%	0.786	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-6.2	177.2	70.1	-13.5	0	0	0	114.8	P716	P716-N718 PolarHBondContact O-N 3.24Å
719	F	74	Confident	85.5	Confident	74 Å²	74	61.1 Å²	61.1	33%	0.325	33%	0.331	S	S	.	.			trans	-101.1	89.3	-178.8	-173.3	-114.1	0	0	0	111.2	L677 P716 Q717 A721 G722 N725	L677-F719 HydrophobicContact CD1-CD1 4.39Å; L677-F719 HydrophobicContact CD1-CE1 3.96Å; P716-F719 PolarHBondContact O-N 3.49Å; Q717-F719 PolarHBondContact O-N 3.35Å; F719-A721 VanDerWaalsContact C-N 3.28Å; F719-A721 HydrophobicContact CE1-CB 4.02Å; F719-A721 HydrophobicContact CE2-CB 4.39Å; F719-A721 HydrophobicContact CZ-CB 3.85Å; F719-A721 PolarHBondContact O-N 3.02Å; F719-G722 VanDerWaalsContact CD1-N 3.32Å; F719-G722 WeakPolarHBondContact O-CA 3.03Å; F719-G722 PolarHBondContact O-N 2.79Å; F719-N725 HydrophobicContact CE1-CB 4.48Å; F719-N725 WeakPolarHBondContact CE1-ND2 3.25Å
720	S	70.2	Confident	85.6	Confident	120 Å²	120	61.1 Å²	61.1	84%	0.839	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-36.3	-177	172.3	0	0	0	0	114.6	G722	S720-G722 PolarHBondContact O-N 3.23Å
721	A	81.3	Confident	85.6	Confident	45 Å²	45	66.6 Å²	66.6	37%	0.372	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-0.8	174.8	0	0	0	0	0	114.2	F719 R724 N725	F719-A721 VanDerWaalsContact C-N 3.28Å; F719-A721 HydrophobicContact CE1-CB 4.02Å; F719-A721 HydrophobicContact CE2-CB 4.39Å; F719-A721 HydrophobicContact CZ-CB 3.85Å; F719-A721 PolarHBondContact O-N 3.02Å; A721-R724 PolarHBondContact O-N 3.44Å; A721-N725 WeakPolarHBondContact O-CB 3.4Å; A721-N725 PolarHBondContact O-N 2.75Å
722	G	86.8	Confident	85.6	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-55.6	-55.4	-175.3	0	0	0	0	0	114.5	F719 S720 R724 N725 L726	F719-G722 VanDerWaalsContact CD1-N 3.32Å; F719-G722 WeakPolarHBondContact O-CA 3.03Å; F719-G722 PolarHBondContact O-N 2.79Å; S720-G722 PolarHBondContact O-N 3.23Å; G722-R724 VanDerWaalsContact C-N 3.27Å; G722-R724 PolarHBondContact O-N 2.79Å; G722-N725 PolarHBondContact O-N 3.17Å; G722-L726 VanDerWaalsContact O-CB 3.29Å; G722-L726 WeakPolarHBondContact O-CB 3.26Å; G722-L726 PolarHBondContact O-N 3.12Å
723	P	88.9	Confident	85.6	Confident	36 Å²	36	66.6 Å²	66.6	23%	0.234	35%	0.347	C	S	.	.	H	α-helix	trans	-53.3	-41.4	176.4	-31.2	38.7	0	0	0	113.6	W706 Y710 L726 Q727	W706-P723 HydrophobicContact CB-CB 3.92Å; Y710-P723 HydrophobicContact CG-CG 4.24Å; P723-L726 PolarHBondContact O-N 3Å; P723-Q727 PolarHBondContact O-N 3.36Å
724	R	88.2	Confident	85.9	Confident	183 Å²	183	66.3 Å²	66.3	69%	0.691	35%	0.346	S	S	*	.	H	α-helix	trans	-74.1	-37.3	-179.4	-161.3	177.3	-171.8	-158.2	1.9	112.4	A721 G722 L726 A728	A721-R724 PolarHBondContact O-N 3.44Å; G722-R724 VanDerWaalsContact C-N 3.27Å; G722-R724 PolarHBondContact O-N 2.79Å; R724-L726 VanDerWaalsContact C-N 3.34Å; R724-A728 WeakPolarHBondContact O-CB 3.18Å; R724-A728 PolarHBondContact O-N 2.93Å
725	N	91.1	Very high	86.2	Confident	72 Å²	72	64.8 Å²	64.8	39%	0.385	33%	0.334	S	S	.	.	H	α-helix	trans	-71	-30.8	173.4	-75.1	-0.8	0	0	0	112.1	L677 F719 A721 G722 A728 A729	L677-N725 HydrophobicContact CD1-CB 3.63Å; L677-N725 HydrophobicContact CD2-CB 4.32Å; F719-N725 HydrophobicContact CE1-CB 4.48Å; F719-N725 WeakPolarHBondContact CE1-ND2 3.25Å; A721-N725 WeakPolarHBondContact O-CB 3.4Å; A721-N725 PolarHBondContact O-N 2.75Å; G722-N725 PolarHBondContact O-N 3.17Å; N725-A728 PolarHBondContact O-N 3.1Å; N725-A729 WeakPolarHBondContact O-CB 3.37Å; N725-A729 PolarHBondContact O-N 3.43Å
726	L	92.4	Very high	86.3	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-68.4	-44.1	173.3	-173.6	63.2	0	0	0	111.4	L677 L682 L687 W706 V709 Y710 M713 L715 G722 P723 R724 A728 A729 F730	L677-L726 HydrophobicContact CD2-CB 3.87Å; L677-L726 HydrophobicContact CD2-CD1 4.15Å; L682-L726 HydrophobicContact CD1-CD1 3.58Å; L682-L726 HydrophobicContact CD2-CD1 4.13Å; L682-L726 HydrophobicContact CG-CD1 4.48Å; L687-L726 HydrophobicContact CD1-CD1 4.16Å; L687-L726 HydrophobicContact CD1-CG 4.34Å; L687-L726 HydrophobicContact CD2-CD1 3.74Å; L687-L726 HydrophobicContact CG-CD1 3.92Å; W706-L726 HydrophobicContact CE3-CG 4.32Å; W706-L726 HydrophobicContact CZ3-CG 4.44Å; V709-L726 HydrophobicContact CB-CD2 4.26Å; V709-L726 HydrophobicContact CG1-CD2 3.82Å; Y710-L726 HydrophobicContact CD2-CB 4.3Å; Y710-L726 HydrophobicContact CD2-CD2 4.06Å; Y710-L726 HydrophobicContact CG-CD2 4.47Å; M713-L726 HydrophobicContact CG-CD2 4.37Å; L715-L726 HydrophobicContact CD1-CD1 4.2Å; L715-L726 HydrophobicContact CD1-CD2 4.46Å; G722-L726 VanDerWaalsContact O-CB 3.29Å; G722-L726 WeakPolarHBondContact O-CB 3.26Å; G722-L726 PolarHBondContact O-N 3.12Å; P723-L726 PolarHBondContact O-N 3Å; R724-L726 VanDerWaalsContact C-N 3.34Å; L726-A728 VanDerWaalsContact C-N 3.32Å; L726-A728 PolarHBondContact O-N 2.96Å; L726-A729 PolarHBondContact O-N 3.15Å; L726-F730 PolarHBondContact O-N 2.74Å
727	Q	93.1	Very high	86.8	Confident	57 Å²	57	63.8 Å²	63.8	27%	0.266	33%	0.327	S	S	.	.	H	α-helix	trans	-57.1	-44.4	170	-176.2	-177.8	33	0	0	111.5	F697 S701 W706 P723 F730 K731	F697-Q727 HydrophobicContact CE2-CG 3.8Å; F697-Q727 HydrophobicContact CZ-CG 4Å; S701-Q727 PolarHBondContact OG-NE2 2.76Å; W706-Q727 HydrophobicContact CD2-CB 3.66Å; W706-Q727 HydrophobicContact CD2-CG 4.07Å; W706-Q727 HydrophobicContact CE3-CB 4.06Å; W706-Q727 HydrophobicContact CG-CB 4.02Å; W706-Q727 HydrophobicContact CG-CG 4.44Å; W706-Q727 HydrophobicContact CZ2-CB 4.14Å; W706-Q727 HydrophobicContact CZ2-CG 3.83Å; W706-Q727 HydrophobicContact CZ3-CB 4.46Å; P723-Q727 PolarHBondContact O-N 3.36Å; Q727-F730 PolarHBondContact O-N 2.91Å; Q727-K731 WeakPolarHBondContact O-CB 3.06Å; Q727-K731 PolarHBondContact O-N 3.44Å
728	A	91.9	Very high	87.5	Confident	56 Å²	56	56.4 Å²	56.4	46%	0.463	29%	0.293	S	S	.	.	H	α-helix	trans	-65.9	-38.5	177.8	0	0	0	0	0	112.7	R724 N725 L726 K731 K732	R724-A728 WeakPolarHBondContact O-CB 3.18Å; R724-A728 PolarHBondContact O-N 2.93Å; N725-A728 PolarHBondContact O-N 3.1Å; L726-A728 VanDerWaalsContact C-N 3.32Å; L726-A728 PolarHBondContact O-N 2.96Å; A728-K731 PolarHBondContact O-N 3Å; A728-K732 PolarHBondContact O-N 3.17Å
729	A	91	Very high	88.3	Confident	16 Å²	16	51 Å²	51	13%	0.132	26%	0.264	C	S	.	.	H	α-helix	trans	-64.8	-45.7	174	0	0	0	0	0	111.5	L682 N725 L726 K731 K732 Y733	L682-A729 HydrophobicContact CD2-CB 3.63Å; N725-A729 WeakPolarHBondContact O-CB 3.37Å; N725-A729 PolarHBondContact O-N 3.43Å; L726-A729 PolarHBondContact O-N 3.15Å; A729-K731 PolarHBondContact O-N 2.94Å; A729-K732 PolarHBondContact O-N 2.56Å; A729-Y733 VanDerWaalsContact O-CD2 3.23Å; A729-Y733 WeakPolarHBondContact O-CD2 3.48Å; A729-Y733 PolarHBondContact O-N 3.44Å
730	F	93.8	Very high	88.7	Confident	1 Å²	1	50.7 Å²	50.7	0%	0.004	27%	0.265	C	S	.	.	H	α-helix	trans	-57.2	-49.7	173	-167	-73	0	0	0	110.6	L687 Y688 V691 F697 W706 L726 Q727 K732 Y733 L734 Y735 D738	L687-F730 HydrophobicContact CD1-CD2 4.06Å; L687-F730 HydrophobicContact CD2-CB 4.41Å; L687-F730 HydrophobicContact CD2-CD2 4.17Å; Y688-F730 HydrophobicContact CD2-CZ 4.42Å; V691-F730 HydrophobicContact CB-CD2 4.15Å; V691-F730 HydrophobicContact CB-CE2 3.6Å; V691-F730 HydrophobicContact CB-CZ 4.24Å; V691-F730 HydrophobicContact CG1-CD2 4.17Å; V691-F730 HydrophobicContact CG1-CE1 4.45Å; V691-F730 HydrophobicContact CG1-CE2 3.56Å; V691-F730 HydrophobicContact CG1-CZ 3.73Å; V691-F730 HydrophobicContact CG2-CD2 3.89Å; V691-F730 HydrophobicContact CG2-CE2 3.88Å; F697-F730 HydrophobicContact CB-CD1 4.16Å; F697-F730 HydrophobicContact CB-CE1 3.78Å; F697-F730 HydrophobicContact CD2-CB 4.39Å; F697-F730 AromaticContact CD2-CD1 3.34Å; F697-F730 HydrophobicContact CD2-CD1 3.34Å; F697-F730 AromaticContact CD2-CE1 3.89Å; F697-F730 HydrophobicContact CD2-CE1 3.89Å; F697-F730 HydrophobicContact CD2-CG 4.04Å; F697-F730 HydrophobicContact CE2-CB 4.48Å; F697-F730 HydrophobicContact CE2-CD1 4.07Å; F697-F730 HydrophobicContact CG-CD1 4.09Å; F697-F730 HydrophobicContact CG-CE1 4.2Å; W706-F730 HydrophobicContact CH2-CB 3.81Å; W706-F730 HydrophobicContact CH2-CD2 4.2Å; W706-F730 AromaticContact CH2-CG 3.92Å; W706-F730 HydrophobicContact CH2-CG 3.92Å; W706-F730 HydrophobicContact CZ3-CB 4.18Å; L726-F730 PolarHBondContact O-N 2.74Å; Q727-F730 PolarHBondContact O-N 2.91Å; F730-K732 PolarHBondContact O-N 3.12Å; F730-Y733 PolarHBondContact O-N 3.23Å; F730-L734 HydrophobicContact CD1-CB 3.97Å; F730-L734 HydrophobicContact CD2-CB 3.89Å; F730-L734 HydrophobicContact CD2-CD1 3.59Å; F730-L734 HydrophobicContact CD2-CG 4.37Å; F730-L734 HydrophobicContact CE1-CB 3.89Å; F730-L734 HydrophobicContact CE2-CB 3.81Å; F730-L734 HydrophobicContact CE2-CD1 3.71Å; F730-L734 HydrophobicContact CE2-CG 4.43Å; F730-L734 HydrophobicContact CG-CB 3.97Å; F730-L734 HydrophobicContact CG-CD1 4.31Å; F730-L734 HydrophobicContact CZ-CB 3.81Å; F730-L734 WeakPolarHBondContact O-CA 3.35Å; F730-L734 PolarHBondContact O-N 2.76Å; F730-Y735 PolarHBondContact O-N 2.82Å; F730-D738 HydrophobicContact CE1-CB 4.15Å; F730-D738 HydrophobicContact CZ-CB 4.2Å
731	K	92.5	Very high	89.1	Confident	121 Å²	121	45.2 Å²	45.2	53%	0.526	23%	0.227	S	C	.	.	H	α-helix	trans	-59.5	-30.9	-179.4	-169.5	171.3	-179.1	177.1	0	113.4	F697 Q727 A728 A729	F697-K731 HydrophobicContact CE2-CB 4.1Å; F697-K731 HydrophobicContact CZ-CB 4.04Å; F697-K731 HydrophobicContact CZ-CD 4.24Å; F697-K731 HydrophobicContact CZ-CG 4.3Å; Q727-K731 WeakPolarHBondContact O-CB 3.06Å; Q727-K731 PolarHBondContact O-N 3.44Å; A728-K731 PolarHBondContact O-N 3Å; A729-K731 PolarHBondContact O-N 2.94Å
732	K	90.5	Very high	89.1	Confident	126 Å²	126	47.4 Å²	47.4	55%	0.548	23%	0.228	S	C	.	.	H	α-helix	trans	-80.7	-46.4	179.1	-173.7	177.6	171.3	-160.3	0	113.5	A728 A729 F730	A728-K732 PolarHBondContact O-N 3.17Å; A729-K732 PolarHBondContact O-N 2.56Å; F730-K732 PolarHBondContact O-N 3.12Å
733	Y	91.2	Very high	88.8	Confident	45 Å²	45	55.4 Å²	55.4	18%	0.176	26%	0.263	C	S	.	.	H	α-helix	trans	-107.4	-27.8	-166.6	-55.5	-67.8	0	0	0	114.6	M664 I671 P675 A729 F730	M664-Y733 WeakPolarHBondContact CE-O 3.09Å; I671-Y733 HydrophobicContact CD1-CD1 3.85Å; I671-Y733 HydrophobicContact CD1-CG 4.42Å; I671-Y733 HydrophobicContact CG1-CD1 4.1Å; P675-Y733 HydrophobicContact CB-CD2 3.84Å; P675-Y733 HydrophobicContact CB-CE2 3.54Å; P675-Y733 HydrophobicContact CG-CD1 4.14Å; P675-Y733 HydrophobicContact CG-CD2 3.47Å; P675-Y733 VanDerWaalsContact CG-CD2 3.47Å; P675-Y733 HydrophobicContact CG-CE1 4.08Å; P675-Y733 HydrophobicContact CG-CE2 3.41Å; P675-Y733 VanDerWaalsContact CG-CE2 3.41Å; P675-Y733 HydrophobicContact CG-CG 3.86Å; A729-Y733 VanDerWaalsContact O-CD2 3.23Å; A729-Y733 WeakPolarHBondContact O-CD2 3.48Å; A729-Y733 PolarHBondContact O-N 3.44Å; F730-Y733 PolarHBondContact O-N 3.23Å
734	L	92.3	Very high	88.1	Confident	0 Å²	0	59 Å²	59	0%	0	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-37.2	-173.7	-67.4	177.3	0	0	0	113	W656 L660 L684 L687 F730 W737 D738	W656-L734 HydrophobicContact CH2-CD2 3.69Å; W656-L734 HydrophobicContact CZ2-CD2 4.39Å; L660-L734 HydrophobicContact CD1-CD2 4.35Å; L660-L734 HydrophobicContact CD2-CD2 3.67Å; L684-L734 HydrophobicContact CB-CD2 4.26Å; L684-L734 HydrophobicContact CD2-CD1 4.34Å; L684-L734 HydrophobicContact CD2-CG 4.36Å; L687-L734 HydrophobicContact CB-CD1 4.05Å; L687-L734 HydrophobicContact CD2-CD1 3.88Å; F730-L734 HydrophobicContact CD1-CB 3.97Å; F730-L734 HydrophobicContact CD2-CB 3.89Å; F730-L734 HydrophobicContact CD2-CD1 3.59Å; F730-L734 HydrophobicContact CD2-CG 4.37Å; F730-L734 HydrophobicContact CE1-CB 3.89Å; F730-L734 HydrophobicContact CE2-CB 3.81Å; F730-L734 HydrophobicContact CE2-CD1 3.71Å; F730-L734 HydrophobicContact CE2-CG 4.43Å; F730-L734 HydrophobicContact CG-CB 3.97Å; F730-L734 HydrophobicContact CG-CD1 4.31Å; F730-L734 HydrophobicContact CZ-CB 3.81Å; F730-L734 WeakPolarHBondContact O-CA 3.35Å; F730-L734 PolarHBondContact O-N 2.76Å; L734-W737 WeakPolarHBondContact O-CA 3.38Å; L734-W737 WeakPolarHBondContact O-CB 3.26Å; L734-W737 PolarHBondContact O-N 3.49Å; L734-D738 WeakPolarHBondContact O-CB 3.31Å; L734-D738 PolarHBondContact O-N 3.15Å
735	Y	91.9	Very high	86.6	Confident	49 Å²	49	53.4 Å²	53.4	19%	0.192	28%	0.279	C	S	.	.	H	α-helix	trans	-55.1	-40.2	-178.5	-179.2	-88	0	0	0	114	F697 H698 F730 W737 D738 D739	F697-Y735 HydrophobicContact CB-CD2 3.86Å; F697-Y735 HydrophobicContact CB-CE2 4.28Å; F697-Y735 AromaticContact CD1-CD2 3.44Å; F697-Y735 HydrophobicContact CD1-CD2 3.44Å; F697-Y735 VanDerWaalsContact CD1-CD2 3.44Å; F697-Y735 AromaticContact CD1-CE2 3.49Å; F697-Y735 HydrophobicContact CD1-CE2 3.49Å; F697-Y735 VanDerWaalsContact CD1-CE2 3.49Å; F697-Y735 HydrophobicContact CD2-CD2 4.25Å; F697-Y735 HydrophobicContact CE1-CD2 4.01Å; F697-Y735 HydrophobicContact CE1-CE2 4.09Å; F697-Y735 AromaticContact CG-CD2 3.58Å; F697-Y735 HydrophobicContact CG-CD2 3.58Å; F697-Y735 HydrophobicContact CG-CE2 4.05Å; H698-Y735 AromaticContact CE1-CE2 3.67Å; H698-Y735 AromaticContact CE1-CZ 4Å; H698-Y735 PolarHBondContact CE1-OH 2.91Å; H698-Y735 AromaticContact NE2-CE2 3.87Å; F730-Y735 PolarHBondContact O-N 2.82Å; Y735-W737 VanDerWaalsContact C-N 3.27Å; Y735-W737 PolarHBondContact O-N 2.87Å; Y735-D738 PolarHBondContact O-N 3.44Å; Y735-D739 WeakPolarHBondContact CE1-OD2 3.38Å; Y735-D739 WeakPolarHBondContact CE2-OD1 3.34Å; Y735-D739 WeakPolarHBondContact O-CB 3.13Å; Y735-D739 PolarHBondContact O-N 2.94Å; Y735-D739 VanDerWaalsContact OH-CG 3.3Å; Y735-D739 PolarHBondContact OH-OD1 2.81Å; Y735-D739 PolarHBondContact OH-OD2 3.21Å
736	P	88.8	Confident	84.9	Confident	28 Å²	28	53.2 Å²	53.2	18%	0.182	28%	0.281	C	S	.	.	H	α-helix	trans	-67.4	-23.7	176.2	-24.6	38.8	0	0	0	114.5	F663 M664 I740	F663-P736 HydrophobicContact CE1-CB 4.32Å; M664-P736 HydrophobicContact CE-CB 4.36Å; P736-I740 WeakPolarHBondContact O-CG1 3.21Å
737	W	89	Confident	83.1	Confident	8 Å²	8	57.4 Å²	57.4	3%	0.03	30%	0.303	C	S	.	.	H	α-helix	trans	-82.5	-44.4	171.4	170.9	-77.4	0	0	0	110.8	W656 Q659 L660 F663 Y688 L734 Y735 D739 I740 S741 L748	W656-W737 AromaticContact CD1-CZ2 3.78Å; W656-W737 AromaticContact CE2-NE1 3.97Å; W656-W737 AromaticContact CZ2-NE1 3.96Å; W656-W737 AromaticContact NE1-CE2 3.57Å; W656-W737 AromaticContact NE1-CZ2 3.42Å; W656-W737 AromaticContact NE1-NE1 3.46Å; Q659-W737 HydrophobicContact CB-CH2 3.74Å; Q659-W737 HydrophobicContact CB-CZ3 4.2Å; L660-W737 HydrophobicContact CD1-CB 3.83Å; L660-W737 HydrophobicContact CD1-CD2 4Å; L660-W737 HydrophobicContact CD1-CE3 4.04Å; L660-W737 HydrophobicContact CD1-CG 3.94Å; F663-W737 HydrophobicContact CB-CE3 3.83Å; F663-W737 HydrophobicContact CB-CZ3 3.86Å; F663-W737 HydrophobicContact CD1-CB 4.12Å; F663-W737 AromaticContact CD1-CE3 3.65Å; F663-W737 HydrophobicContact CD1-CE3 3.65Å; F663-W737 HydrophobicContact CE1-CB 3.93Å; F663-W737 HydrophobicContact CE1-CE3 4.43Å; F663-W737 AromaticContact CG-CE3 3.82Å; F663-W737 HydrophobicContact CG-CE3 3.82Å; F663-W737 HydrophobicContact CG-CZ3 4.28Å; Y688-W737 AromaticContact CE2-CD1 3.79Å; L734-W737 WeakPolarHBondContact O-CA 3.38Å; L734-W737 WeakPolarHBondContact O-CB 3.26Å; L734-W737 PolarHBondContact O-N 3.49Å; Y735-W737 VanDerWaalsContact C-N 3.27Å; Y735-W737 PolarHBondContact O-N 2.87Å; W737-D739 PolarHBondContact O-N 3.2Å; W737-I740 PolarHBondContact O-N 2.96Å; W737-S741 WeakPolarHBondContact O-CB 3.25Å; W737-S741 PolarHBondContact O-N 2.83Å; W737-S741 PolarHBondContact O-OG 3.46Å; W737-S741 VanDerWaalsContact O-OG 3.13Å; W737-L748 HydrophobicContact CD2-CD2 4.37Å; W737-L748 HydrophobicContact CE3-CD2 4.2Å; W737-L748 HydrophobicContact CH2-CB 4.25Å; W737-L748 HydrophobicContact CH2-CD2 3.48Å; W737-L748 VanDerWaalsContact CH2-CD2 3.48Å; W737-L748 HydrophobicContact CH2-CG 3.79Å; W737-L748 HydrophobicContact CZ2-CB 3.64Å; W737-L748 HydrophobicContact CZ2-CD2 3.66Å; W737-L748 HydrophobicContact CZ2-CG 3.72Å; W737-L748 HydrophobicContact CZ3-CD2 3.77Å
738	D	88.4	Confident	81.4	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-56.8	-45	176.3	-165.8	35.2	0	0	0	111.1	Y688 F730 L734 Y735 S741 K742	Y688-D738 HydrophobicContact CE2-CB 4.04Å; F730-D738 HydrophobicContact CE1-CB 4.15Å; F730-D738 HydrophobicContact CZ-CB 4.2Å; L734-D738 WeakPolarHBondContact O-CB 3.31Å; L734-D738 PolarHBondContact O-N 3.15Å; Y735-D738 PolarHBondContact O-N 3.44Å; D738-S741 PolarHBondContact O-OG 2.17Å; D738-K742 WeakPolarHBondContact O-CD 3.22Å; D738-K742 WeakPolarHBondContact O-CG 3.42Å; D738-K742 PolarHBondContact O-N 3.12Å; D738-K742 WeakPolarHBondContact OD1-CE 3.48Å; D738-K742 IonicContact OD1-NZ 3.57Å; D738-K742 PolarHBondContact OD1-NZ 3.04Å; D738-K742 IonicContact OD2-NZ 3.53Å; D738-K742 PolarHBondContact OD2-NZ 3.03Å
739	D	86.5	Confident	79.5	Confident	33 Å²	33	55.3 Å²	55.3	18%	0.176	29%	0.288	C	S	.	.	H	α-helix	trans	-66	-40.6	175.5	-91.9	17.6	0	0	0	112.9	Y735 W737 K743	Y735-D739 WeakPolarHBondContact CE1-OD2 3.38Å; Y735-D739 WeakPolarHBondContact CE2-OD1 3.34Å; Y735-D739 WeakPolarHBondContact O-CB 3.13Å; Y735-D739 PolarHBondContact O-N 2.94Å; Y735-D739 VanDerWaalsContact OH-CG 3.3Å; Y735-D739 PolarHBondContact OH-OD1 2.81Å; Y735-D739 PolarHBondContact OH-OD2 3.21Å; W737-D739 PolarHBondContact O-N 3.2Å; D739-K743 WeakPolarHBondContact O-CB 2.99Å; D739-K743 VanDerWaalsContact O-CG 3.22Å; D739-K743 WeakPolarHBondContact O-CG 3.48Å; D739-K743 PolarHBondContact O-N 2.96Å
740	I	82.9	Confident	77.2	Confident	68 Å²	68	61.6 Å²	61.6	35%	0.349	32%	0.315	S	S	.	.	H	α-helix	trans	-72.8	-42.3	179.5	-73.1	-173.9	0	0	0	111.4	F663 P736 W737 K742 K743 L744	F663-I740 HydrophobicContact CE2-CD1 3.72Å; F663-I740 HydrophobicContact CZ-CD1 3.69Å; P736-I740 WeakPolarHBondContact O-CG1 3.21Å; W737-I740 PolarHBondContact O-N 2.96Å; I740-K742 PolarHBondContact O-N 3.06Å; I740-K743 PolarHBondContact O-N 3.3Å; I740-L744 HydrophobicContact CG2-CD1 3.63Å; I740-L744 HydrophobicContact CG2-CG 4.14Å; I740-L744 WeakPolarHBondContact O-CB 3.11Å; I740-L744 WeakPolarHBondContact O-CG 3.5Å; I740-L744 PolarHBondContact O-N 2.88Å
741	S	79.7	Confident	74.6	Confident	5 Å²	5	65.9 Å²	65.9	4%	0.035	34%	0.337	C	S	.	.	H	α-helix	trans	-58.2	-35.3	174.6	63	0	0	0	0	112.5	Y688 W737 D738 G745 T746	Y688-S741 PolarHBondContact OH-OG 2.9Å; W737-S741 WeakPolarHBondContact O-CB 3.25Å; W737-S741 PolarHBondContact O-N 2.83Å; W737-S741 PolarHBondContact O-OG 3.46Å; W737-S741 VanDerWaalsContact O-OG 3.13Å; D738-S741 PolarHBondContact O-OG 2.17Å; S741-G745 PolarHBondContact O-N 2.98Å; S741-T746 PolarHBondContact O-N 2.9Å
742	K	80.8	Confident	71.7	Confident	91 Å²	91	65.5 Å²	65.5	40%	0.396	35%	0.347	S	S	.	.	H	α-helix	trans	-74.3	-43.2	173.5	-71	164.9	-161.8	165.9	0	113.2	D738 I740 L744 G745	D738-K742 WeakPolarHBondContact O-CD 3.22Å; D738-K742 WeakPolarHBondContact O-CG 3.42Å; D738-K742 PolarHBondContact O-N 3.12Å; D738-K742 WeakPolarHBondContact OD1-CE 3.48Å; D738-K742 IonicContact OD1-NZ 3.57Å; D738-K742 PolarHBondContact OD1-NZ 3.04Å; D738-K742 IonicContact OD2-NZ 3.53Å; D738-K742 PolarHBondContact OD2-NZ 3.03Å; I740-K742 PolarHBondContact O-N 3.06Å; K742-L744 VanDerWaalsContact C-N 3.26Å; K742-L744 PolarHBondContact O-N 2.18Å; K742-G745 PolarHBondContact O-N 2.49Å; K742-G745 VanDerWaalsContact O-N 3.11Å
743	K	80.3	Confident	69.1	Low	167 Å²	167	69 Å²	69	73%	0.726	36%	0.357	S	S	*	.	H	α-helix	trans	-65.1	-29.2	178.9	-76.7	171.3	-179.6	-179.1	0	113.3	D739 I740	D739-K743 WeakPolarHBondContact O-CB 2.99Å; D739-K743 VanDerWaalsContact O-CG 3.22Å; D739-K743 WeakPolarHBondContact O-CG 3.48Å; D739-K743 PolarHBondContact O-N 2.96Å; I740-K743 PolarHBondContact O-N 3.3Å
744	L	73.2	Confident	66.4	Low	111 Å²	111	72.5 Å²	72.5	58%	0.581	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-3.6	174.9	-64.3	176.8	0	0	0	113.2	I740 K742 T746	I740-L744 HydrophobicContact CG2-CD1 3.63Å; I740-L744 HydrophobicContact CG2-CG 4.14Å; I740-L744 WeakPolarHBondContact O-CB 3.11Å; I740-L744 WeakPolarHBondContact O-CG 3.5Å; I740-L744 PolarHBondContact O-N 2.88Å; K742-L744 VanDerWaalsContact C-N 3.26Å; K742-L744 PolarHBondContact O-N 2.18Å; L744-T746 PolarHBondContact O-N 3.07Å
745	G	57.1	Low	63.5	Low	66 Å²	66	82.9 Å²	82.9	68%	0.68	43%	0.427	S	S	*	.			trans	66.9	-19.6	-172.5	0	0	0	0	0	115.1	S741 K742 N747	S741-G745 PolarHBondContact O-N 2.98Å; K742-G745 PolarHBondContact O-N 2.49Å; K742-G745 VanDerWaalsContact O-N 3.11Å; G745-N747 PolarHBondContact O-N 3.01Å
746	T	54.9	Low	60.6	Low	69 Å²	69	85.7 Å²	85.7	42%	0.423	45%	0.452	S	S	.	.			trans	-78.3	119.5	-178.7	56	0	0	0	0	112	S741 L744 L748	S741-T746 PolarHBondContact O-N 2.9Å; L744-T746 PolarHBondContact O-N 3.07Å; T746-L748 VanDerWaalsContact C-N 3.29Å; T746-L748 PolarHBondContact O-N 3.41Å
747	N	55	Low	57.8	Low	88 Å²	88	95.4 Å²	95.4	47%	0.471	49%	0.485	S	S	.	.			trans	-60.8	91.2	161.7	-77.4	-62.9	0	0	0	109.2	G745 C749 E750	G745-N747 PolarHBondContact O-N 3.01Å; N747-C749 PolarHBondContact O-N 2.89Å; N747-E750 CarbonylContact O-C 3.33Å; N747-E750 WeakPolarHBondContact O-CA 3.32Å; N747-E750 PolarHBondContact O-N 3.23Å
748	L	58	Low	55.1	Low	29 Å²	29	104.2 Å²	104.2	15%	0.152	52%	0.519	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	1.9	-172.9	-146.7	66.1	0	0	0	113.8	W737 T746 E750 L751	W737-L748 HydrophobicContact CD2-CD2 4.37Å; W737-L748 HydrophobicContact CE3-CD2 4.2Å; W737-L748 HydrophobicContact CH2-CB 4.25Å; W737-L748 HydrophobicContact CH2-CD2 3.48Å; W737-L748 VanDerWaalsContact CH2-CD2 3.48Å; W737-L748 HydrophobicContact CH2-CG 3.79Å; W737-L748 HydrophobicContact CZ2-CB 3.64Å; W737-L748 HydrophobicContact CZ2-CD2 3.66Å; W737-L748 HydrophobicContact CZ2-CG 3.72Å; W737-L748 HydrophobicContact CZ3-CD2 3.77Å; T746-L748 VanDerWaalsContact C-N 3.29Å; T746-L748 PolarHBondContact O-N 3.41Å; L748-E750 VanDerWaalsContact C-N 3.31Å; L748-L751 HydrophobicContact CD1-CD1 3.82Å; L748-L751 HydrophobicContact CD1-CD2 3.96Å; L748-L751 HydrophobicContact CD1-CG 3.78Å; L748-L751 HydrophobicContact CG-CD1 4.11Å; L748-L751 HydrophobicContact CG-CG 4.36Å
749	C	51.3	Low	52.5	Low	39 Å²	39	110.4 Å²	110.4	26%	0.264	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.2	-22.2	161.7	-68.9	0	0	0	0	113.7	W656 Y688 N747	W656-C749 PolarHBondContact NE1-SG 2.76Å; Y688-C749 WeakPolarHBondContact CE1-SG 3.37Å; N747-C749 PolarHBondContact O-N 2.89Å
750	E	43.9	Very low	49.8	Very low	148 Å²	148	113.9 Å²	113.9	69%	0.692	59%	0.586	S	S	*	*			trans	-126.1	57.1	-178.7	-76.6	160.2	-160.5	0	0	107.7	N747 L748 P752	N747-E750 CarbonylContact O-C 3.33Å; N747-E750 WeakPolarHBondContact O-CA 3.32Å; N747-E750 PolarHBondContact O-N 3.23Å; L748-E750 VanDerWaalsContact C-N 3.31Å; E750-P752 WeakPolarHBondContact O-CD 3.19Å
751	L	37.7	Very low	47.5	Very low	92 Å²	92	114.9 Å²	114.9	48%	0.482	60%	0.599	S	S	.	*			trans	-65.8	107.6	145.7	-78.9	165.3	0	0	0	106	L748	L748-L751 HydrophobicContact CD1-CD1 3.82Å; L748-L751 HydrophobicContact CD1-CD2 3.96Å; L748-L751 HydrophobicContact CD1-CG 3.78Å; L748-L751 HydrophobicContact CG-CD1 4.11Å; L748-L751 HydrophobicContact CG-CG 4.36Å
752	P	31.4	Very low	45.3	Very low	113 Å²	113	119.4 Å²	119.4	73%	0.734	64%	0.637	S	S	*	*			trans	-55.7	150.2	162.7	27.8	-34.7	0	0	0	107.2	E750 S754	E750-P752 WeakPolarHBondContact O-CD 3.19Å; P752-S754 PolarHBondContact O-N 3.09Å
753	R	37.3	Very low	43.4	Very low	198 Å²	198	122.2 Å²	122.2	75%	0.747	65%	0.652	S	S	*	*			trans	-49	133.9	165.1	-77.7	175.8	164.1	165	-7.4	107.1	R755	R753-R755 PolarHBondContact O-N 2.86Å
754	S	33.3	Very low	41	Very low	120 Å²	120	121 Å²	121	84%	0.839	65%	0.653	S	S	*	*			trans	-44.5	122.1	154	-54.1	0	0	0	0	105.8	P752	P752-S754 PolarHBondContact O-N 3.09Å
755	R	31.4	Very low	39.1	Very low	217 Å²	217	119.9 Å²	119.9	82%	0.819	66%	0.655	S	S	*	*			trans	-46.5	142.6	-177.6	-73.6	-178.3	173.3	-172.8	-2.5	108	R753 R757	R753-R755 PolarHBondContact O-N 2.86Å; R755-R757 PolarHBondContact O-N 3.15Å
756	P	31.8	Very low	37.9	Very low	108 Å²	108	123.2 Å²	123.2	70%	0.701	66%	0.657	S	S	*	*			trans	-49.1	118.8	163	24.7	-32.7	0	0	0	105.7	Y758	P756-Y758 VanDerWaalsContact C-N 3.3Å; P756-Y758 PolarHBondContact O-N 2.85Å
757	R	29.1	Very low	36.9	Very low	233 Å²	233	125.6 Å²	125.6	88%	0.879	67%	0.672	S	S	*	*			trans	-71.3	96.7	-171	-173	-167.5	-60.8	167.1	0.1	105.7	R755 P759	R755-R757 PolarHBondContact O-N 3.15Å; R757-P759 WeakPolarHBondContact O-CD 3.35Å; R757-P759 VanDerWaalsContact O-N 3.11Å
758	Y	32.2	Very low	36	Very low	192 Å²	192	127.8 Å²	127.8	75%	0.753	68%	0.684	S	S	*	*			trans	-46.8	119.5	171.7	-88.8	-86.3	0	0	0	107.6	P756 S760	P756-Y758 VanDerWaalsContact C-N 3.3Å; P756-Y758 PolarHBondContact O-N 2.85Å; Y758-S760 PolarHBondContact O-N 3.41Å
759	P	35.2	Very low	35	Very low	132 Å²	132	133.6 Å²	133.6	86%	0.857	71%	0.713	S	S	*	*			trans	-72.2	97.6	172.9	29	-31	0	0	0	107.4	R757	R757-P759 WeakPolarHBondContact O-CD 3.35Å; R757-P759 VanDerWaalsContact O-N 3.11Å
760	S	30.2	Very low	33.9	Very low	105 Å²	105	137 Å²	137	73%	0.734	74%	0.737	S	S	*	*			trans	-152.8	132.6	173.4	-164.9	0	0	0	0	106.6	Y758	Y758-S760 PolarHBondContact O-N 3.41Å
761	S	34.6	Very low	33.3	Very low	89 Å²	89	134.5 Å²	134.5	62%	0.622	74%	0.742	S	S	*	*			cis	-146.5	138.1	21.2	-171.7	0	0	0	0	112.5	Q763	S761-Q763 PolarHBondContact OG-N 2.85Å
762	A	33.3	Very low	33	Very low	101 Å²	101	134 Å²	134	84%	0.835	75%	0.751	S	S	*	*			trans	-123	97.9	130.1	0	0	0	0	0	103.7
763	Q	39.8	Very low	33.1	Very low	149 Å²	149	136 Å²	136	70%	0.696	76%	0.756	S	S	*	*				68.8	117.7	79.5	-76.3	-164.2	-45.2	0	0	112.9	S761	S761-Q763 PolarHBondContact OG-N 2.85Å
764	N	30.5	Very low	32.8	Very low	142 Å²	142	131.6 Å²	131.6	76%	0.759	76%	0.755	S	S	*	*			trans	66.9	141.9	150	-66.6	3	0	0	0	118.2
765	S	33.8	Very low	32.8	Very low	88 Å²	88	132.2 Å²	132.2	62%	0.615	75%	0.754	S	S	*	*			cis	-161.5	151.9	-9.7	38.1	0	0	0	0	111.7
766	N	30.4	Very low	32.9	Very low	136 Å²	136	124.8 Å²	124.8	73%	0.727	75%	0.745	S	S	*	*			trans	27.4	132.7	135.9	-43	-9.6	0	0	0	117.5
767	T	35.5	Very low	33.1	Very low	118 Å²	118	125.7 Å²	125.7	72%	0.724	75%	0.749	S	S	*	*				-172	154	90.7	21.8	0	0	0	0	112.7
768	N	35.6	Very low	33.3	Very low	135 Å²	135	120.8 Å²	120.8	72%	0.722	74%	0.74	S	S	*	*			trans	66.9	150.4	151.4	-58.9	-6	0	0	0	119.8
769	I	36	Very low	33.5	Very low	151 Å²	151	117.6 Å²	117.6	77%	0.774	74%	0.741	S	S	*	*			cis	-163.5	161.6	-41.5	-119.4	163.5	0	0	0	106.8
770	S	28.9	Very low	33.5	Very low	109 Å²	109	117.2 Å²	117.2	76%	0.762	73%	0.732	S	S	*	*			trans	-50.3	166.6	171.7	-42.7	0	0	0	0	113.5
771	A	30.5	Very low	33.7	Very low	96 Å²	96	118.7 Å²	118.7	79%	0.793	73%	0.731	S	S	*	*			cis	-167.9	-172.5	32.1	0	0	0	0	0	113.6
772	A	32.8	Very low	33.6	Very low	83 Å²	83	118.7 Å²	118.7	69%	0.686	73%	0.731	S	S	*	*			trans	81.9	98.6	149.6	0	0	0	0	0	121
773	N	33.6	Very low	33.6	Very low	154 Å²	154	117.9 Å²	117.9	82%	0.824	73%	0.725	S	S	*	*				75.7	97.1	115.1	-61.6	1.6	0	0	0	123.3
774	S	31.1	Very low	33.1	Very low	105 Å²	105	115.4 Å²	115.4	73%	0.734	72%	0.724	S	S	*	*				97.1	141.8	93.3	-160.7	0	0	0	0	122.6
775	T	32.1	Very low	33.2	Very low	133 Å²	133	115.3 Å²	115.3	82%	0.816	72%	0.723	S	S	*	*			trans	99.7	127.7	142.1	-16.4	0	0	0	0	120.5
776	G	34.1	Very low	33	Very low	62 Å²	62	117.8 Å²	117.8	64%	0.639	73%	0.73	S	S	*	*			trans	92.8	135.1	163.3	0	0	0	0	0	115.3
777	T	35.7	Very low	33.2	Very low	126 Å²	126	117.7 Å²	117.7	77%	0.773	73%	0.734	S	S	*	*			cis	-160.8	154.7	-3.6	48.4	0	0	0	0	108.7
778	N	33.7	Very low	32.9	Very low	131 Å²	131	117.6 Å²	117.6	70%	0.701	74%	0.739	S	S	*	*			cis	-167.2	166.2	-12.2	-100.4	-2.5	0	0	0	108.2
779	T	35.3	Very low	32.6	Very low	125 Å²	125	118.8 Å²	118.8	77%	0.767	74%	0.74	S	S	*	*			trans	54.2	129.8	160	53.2	0	0	0	0	119.7
780	N	35.8	Very low	32.4	Very low	124 Å²	124	116.5 Å²	116.5	66%	0.663	73%	0.733	S	S	*	*			cis	-165.3	176.1	-10.3	-127.7	50.3	0	0	0	106.3	S782	N780-S782 PolarHBondContact ND2-OG 3.04Å
781	N	34.5	Very low	32.6	Very low	135 Å²	135	115.9 Å²	115.9	72%	0.722	72%	0.716	S	S	*	*			cis	-113.1	178.9	6.4	-101.8	24.8	0	0	0	109.5
782	S	32.7	Very low	32.8	Very low	89 Å²	89	116.5 Å²	116.5	62%	0.622	70%	0.703	S	S	*	*			cis	83.5	120.7	24.8	-37.3	0	0	0	0	115.1	N780	N780-S782 PolarHBondContact ND2-OG 3.04Å
783	A	32.7	Very low	32.8	Very low	85 Å²	85	115.6 Å²	115.6	70%	0.702	69%	0.692	S	S	*	*			cis	-160.2	144.3	-3.3	0	0	0	0	0	107.2
784	S	30.4	Very low	32.8	Very low	96 Å²	96	113.4 Å²	113.4	67%	0.671	68%	0.679	S	S	*	*			cis	77.2	135.3	41.6	71.9	0	0	0	0	114.8
785	N	32.8	Very low	32.9	Very low	140 Å²	140	111.1 Å²	111.1	75%	0.749	66%	0.659	S	S	*	*			cis	-167.5	154.3	-0.3	-96.7	-11.7	0	0	0	113.5
786	N	29.7	Very low	33	Very low	140 Å²	140	110 Å²	110	75%	0.749	66%	0.656	S	S	*	*			trans	19.7	151	145.8	-48.4	-19.7	0	0	0	125
787	T	33.5	Very low	33	Very low	134 Å²	134	110.7 Å²	110.7	82%	0.822	66%	0.664	S	S	*	*				168.6	115.3	128.8	-74.5	0	0	0	0	117.5
788	S	28.9	Very low	32.7	Very low	117 Å²	117	112.9 Å²	112.9	82%	0.818	67%	0.671	S	S	*	*			trans	72.5	-169.8	134.5	-52.5	0	0	0	0	127.2
789	Q	30.6	Very low	32.5	Very low	159 Å²	159	111 Å²	111	74%	0.743	67%	0.674	S	S	*	*			trans	-128.3	169.6	-141.6	-76.4	178.4	-33	0	0	118.3	E815	Q789-E815 VanDerWaalsContact CB-OE1 3.32Å; Q789-E815 WeakPolarHBondContact CB-OE1 3.36Å
790	T	31.3	Very low	32.2	Very low	104 Å²	104	113.9 Å²	113.9	64%	0.638	68%	0.678	S	S	*	*			trans	130.8	108.5	144.2	-36.6	0	0	0	0	122.8	E815	T790-E815 WeakPolarHBondContact CA-OE1 3.11Å; T790-E815 VanDerWaalsContact CA-OE2 3.3Å; T790-E815 WeakPolarHBondContact CA-OE2 3.14Å; T790-E815 PolarHBondContact N-OE1 2.81Å
791	K	33.8	Very low	32	Very low	95 Å²	95	113.6 Å²	113.6	41%	0.413	68%	0.681	S	S	.	*			trans	39	129.3	152	-81.5	-166.6	163.8	-156.5	0	134.3	E815 N816	K791-E815 HydrophobicContact CG-CB 4.31Å; K791-E815 WeakPolarHBondContact CG-OE2 3.44Å; K791-E815 PolarHBondContact N-OE2 2.63Å; K791-E815 VanDerWaalsContact N-OE2 3.09Å; K791-N816 HydrophobicContact CD-CB 4.41Å; K791-N816 VanDerWaalsContact CE-CB 3.5Å; K791-N816 HydrophobicContact CG-CB 4.06Å
792	Q	34.4	Very low	31.7	Very low	109 Å²	109	112.2 Å²	112.2	51%	0.509	67%	0.674	S	S	.	*			trans	65.7	139.5	142.3	-72.6	178.2	-134.5	0	0	124.5	V814	Q792-V814 VanDerWaalsContact CA-O 3.24Å; Q792-V814 WeakPolarHBondContact CA-O 3.47Å; Q792-V814 VanDerWaalsContact N-CG2 3.33Å; Q792-V814 PolarHBondContact N-O 3.34Å
793	S	31.7	Very low	31.5	Very low	64 Å²	64	112.7 Å²	112.7	45%	0.448	68%	0.677	S	S	.	*			cis	95	126	-0.5	89.8	0	0	0	0	122.3
794	L	34.5	Very low	31.2	Very low	108 Å²	108	117.9 Å²	117.9	57%	0.565	68%	0.684	S	S	*	*			trans	-166.8	-156.2	170.7	-113.8	170.9	0	0	0	121.8	M1983 T1985 L1986	L794-M1983 VanDerWaalsContact CB-O 3.3Å; L794-M1983 WeakPolarHBondContact CB-O 3.41Å; L794-M1983 WeakPolarHBondContact CD1-O 3.48Å; L794-M1983 WeakPolarHBondContact CD2-O 3.29Å; L794-M1983 WeakPolarHBondContact CG-O 3.12Å; L794-T1985 PolarHBondContact N-O 2.84Å; L794-T1985 VanDerWaalsContact N-O 3.17Å; L794-T1985 CarbonylContact O-C 3.35Å; L794-T1985 WeakPolarHBondContact O-CA 3.36Å; L794-L1986 PolarHBondContact O-N 3.23Å
795	D	32.3	Very low	31.2	Very low	57 Å²	57	124.8 Å²	124.8	31%	0.305	70%	0.697	S	S	.	*	B	Isolated β-bridge	trans	-43.9	-179.8	-168	-95.2	-21.4	0	0	0	122.2	M1983 T1985	D795-M1983 WeakPolarHBondContact CB-O 3.31Å; D795-M1983 PolarHBondContact N-O 3.4Å; D795-M1983 WeakPolarHBondContact OD2-CA 3.35Å; D795-M1983 PolarHBondContact OD2-N 3.24Å; D795-T1985 WeakPolarHBondContact O-CA 3.27Å; D795-T1985 VanDerWaalsContact O-CG2 3.28Å; D795-T1985 WeakPolarHBondContact O-CG2 2.62Å
796	S	34.5	Very low	30.9	Very low	109 Å²	109	122.5 Å²	122.5	76%	0.762	69%	0.692	S	S	*	*			cis	-177.9	146.8	-32.2	-101.4	0	0	0	0	111.4
797	G	33.5	Very low	30.8	Very low	78 Å²	78	122.9 Å²	122.9	80%	0.804	69%	0.694	S	S	*	*			trans	174.8	169.4	176.2	0	0	0	0	0	116.6
798	N	30.5	Very low	30.7	Very low	172 Å²	172	120.4 Å²	120.4	92%	0.92	68%	0.675	S	S	*	*			trans	-149.7	153.1	-169.1	-121	-26.2	0	0	0	116.9
799	A	30.1	Very low	30.6	Very low	91 Å²	91	121.9 Å²	121.9	75%	0.752	67%	0.669	S	S	*	*			trans	69.5	150.2	171.1	0	0	0	0	0	117.8
800	E	29	Very low	30.5	Very low	186 Å²	186	118 Å²	118	87%	0.869	66%	0.656	S	S	*	*			cis	-145.1	-165.8	-0.7	-142.9	169.8	-151.2	0	0	111.9
801	T	30.3	Very low	30.4	Very low	118 Å²	118	115.5 Å²	115.5	72%	0.724	64%	0.642	S	S	*	*			trans	-65.7	160.9	-175.8	54.3	0	0	0	0	114.7
802	D	29.2	Very low	30.2	Very low	105 Å²	105	117.3 Å²	117.3	56%	0.561	65%	0.652	S	S	*	*			cis	-160	143.4	27.3	-153.3	-9.4	0	0	0	114.5
803	S	27.9	Very low	29.8	Very low	99 Å²	99	117.2 Å²	117.2	69%	0.692	66%	0.66	S	S	*	*			trans	57.6	136.6	161.1	83.7	0	0	0	0	123.1
804	K	26.8	Very low	29.6	Very low	194 Å²	194	117.2 Å²	117.2	84%	0.843	66%	0.657	S	S	*	*			trans	53.5	107.4	160.4	-73.6	-174.3	172	-172.7	0	119.1
805	Y	29.9	Very low	29.2	Very low	241 Å²	241	115.2 Å²	115.2	95%	0.945	64%	0.644	S	S	*	*				-150.5	174.7	110.7	-111.3	-78	0	0	0	108.8
806	S	26.8	Very low	28.9	Very low	92 Å²	92	117.5 Å²	117.5	64%	0.643	66%	0.657	S	S	*	*			trans	-133.9	116.9	177	55.1	0	0	0	0	110.2
807	N	27.3	Very low	28.6	Very low	148 Å²	148	116.4 Å²	116.4	79%	0.791	65%	0.649	S	S	*	*			trans	57.5	124.4	153.2	-66.5	47.7	0	0	0	116.5
808	I	31.6	Very low	28.4	Very low	83 Å²	83	117.5 Å²	117.5	43%	0.426	64%	0.644	S	S	.	*			cis	-158.4	167.1	20.3	-93.4	141.2	0	0	0	107.4	D1989 E1990	I808-D1989 HydrophobicContact CG2-CB 4.37Å; I808-E1990 WeakPolarHBondContact CD1-OE1 3.46Å; I808-E1990 HydrophobicContact CG2-CG 4.33Å
809	E	26.2	Very low	28.3	Very low	147 Å²	147	115.3 Å²	115.3	69%	0.687	64%	0.637	S	S	*	*			trans	158.7	135	135.8	-88.4	-160.1	131.7	0	0	118.1	N1988 D1989	E809-N1988 PolarHBondContact O-ND2 3.47Å; E809-D1989 PolarHBondContact N-OD2 3.15Å
810	V	30.1	Very low	28.4	Very low	79 Å²	79	114.9 Å²	114.9	48%	0.479	64%	0.641	S	S	.	*			trans	68.6	120.9	142.3	174.9	0	0	0	0	121.7	N1988 D1989	V810-N1988 WeakPolarHBondContact O-CB 3.34Å; V810-N1988 PolarHBondContact O-ND2 2.96Å; V810-D1989 VanDerWaalsContact CA-O 3.28Å; V810-D1989 WeakPolarHBondContact CA-O 3.19Å; V810-D1989 VanDerWaalsContact N-CB 3.28Å
811	S	27.7	Very low	28.6	Very low	50 Å²	50	110.3 Å²	110.3	35%	0.35	63%	0.626	S	S	.	*			trans	123.8	89.2	149.1	-63.6	0	0	0	0	120.5	S1987 N1988 D1989	S811-S1987 CarbonylContact C-O 3.57Å; S811-S1987 CarbonylContact O-C 3.48Å; S811-S1987 WeakPolarHBondContact O-CA 3.03Å; S811-S1987 WeakPolarHBondContact O-CB 3.44Å; S811-S1987 PolarHBondContact O-OG 3.06Å; S811-N1988 CarbonylContact C-O 3.21Å; S811-N1988 VanDerWaalsContact N-CB 3.34Å; S811-N1988 PolarHBondContact N-O 2.78Å; S811-D1989 PolarHBondContact N-O 2.79Å; S811-D1989 VanDerWaalsContact N-O 3.15Å
812	E	29.4	Very low	28.5	Very low	133 Å²	133	111.5 Å²	111.5	62%	0.621	63%	0.628	S	S	*	*			trans	98.6	85.1	131.7	-59	-167.3	147.1	0	0	126	N1988	E812-N1988 PolarHBondContact N-O 2.71Å; E812-N1988 VanDerWaalsContact N-O 3.11Å
813	T	27	Very low	28.7	Very low	108 Å²	108	113.1 Å²	113.1	66%	0.663	63%	0.63	S	S	*	*				71.6	142.7	121.9	69.3	0	0	0	0	126.1
814	V	27.7	Very low	28.8	Very low	64 Å²	64	111.2 Å²	111.2	39%	0.388	61%	0.612	S	S	.	*			trans	53	97.7	160.3	-80.4	0	0	0	0	123.8	Q792	Q792-V814 VanDerWaalsContact CA-O 3.24Å; Q792-V814 WeakPolarHBondContact CA-O 3.47Å; Q792-V814 VanDerWaalsContact N-CG2 3.33Å; Q792-V814 PolarHBondContact N-O 3.34Å
815	E	24.9	Very low	28.9	Very low	65 Å²	65	104.5 Å²	104.5	30%	0.304	59%	0.587	S	S	.	*				81.3	136	111.8	-137.7	-159.5	-124.1	0	0	125.5	Q789 T790 K791	Q789-E815 VanDerWaalsContact CB-OE1 3.32Å; Q789-E815 WeakPolarHBondContact CB-OE1 3.36Å; T790-E815 WeakPolarHBondContact CA-OE1 3.11Å; T790-E815 VanDerWaalsContact CA-OE2 3.3Å; T790-E815 WeakPolarHBondContact CA-OE2 3.14Å; T790-E815 PolarHBondContact N-OE1 2.81Å; K791-E815 HydrophobicContact CG-CB 4.31Å; K791-E815 WeakPolarHBondContact CG-OE2 3.44Å; K791-E815 PolarHBondContact N-OE2 2.63Å; K791-E815 VanDerWaalsContact N-OE2 3.09Å
816	N	27.6	Very low	28.8	Very low	105 Å²	105	101.5 Å²	101.5	56%	0.561	57%	0.574	S	S	*	*			trans	90.6	156.6	140.2	-116.9	-29.8	0	0	0	120.4	K791	K791-N816 HydrophobicContact CD-CB 4.41Å; K791-N816 VanDerWaalsContact CE-CB 3.5Å; K791-N816 HydrophobicContact CG-CB 4.06Å
817	S	27.3	Very low	28.7	Very low	87 Å²	87	102.5 Å²	102.5	61%	0.608	58%	0.576	S	S	*	*			trans	-80.2	157.7	-162.1	60.6	0	0	0	0	116
818	S	29.1	Very low	28.6	Very low	100 Å²	100	100.8 Å²	100.8	70%	0.699	57%	0.571	S	S	*	*	S	Bend	trans	66.3	115.7	161.8	64.3	0	0	0	0	119.6
819	V	29.3	Very low	28.5	Very low	127 Å²	127	103.4 Å²	103.4	77%	0.77	59%	0.586	S	S	*	*			trans	45.5	91	130.2	-171.2	0	0	0	0	116.5	V821	V819-V821 HydrophobicContact CG1-CG2 3.61Å
820	G	31.9	Very low	28.7	Very low	81 Å²	81	101 Å²	101	84%	0.835	59%	0.586	S	S	*	*			trans	-64.2	-62.4	179.2	0	0	0	0	0	115.6
821	V	32.3	Very low	29	Very low	91 Å²	91	101.3 Å²	101.3	55%	0.552	60%	0.596	S	S	*	*			trans	62.9	81.2	177	168.9	0	0	0	0	115.5	V819	V819-V821 HydrophobicContact CG1-CG2 3.61Å
822	N	29.7	Very low	29.3	Very low	143 Å²	143	104.3 Å²	104.3	77%	0.765	61%	0.614	S	S	*	*			trans	69.3	170.7	134.3	-47.7	-19.4	0	0	0	117.9
823	K	33.3	Very low	29.1	Very low	138 Å²	138	104.7 Å²	104.7	60%	0.6	62%	0.619	S	S	*	*				-162.6	157	98.5	-94.3	162	-168.3	161.3	0	108.8	I1979	K823-I1979 WeakPolarHBondContact O-CA 3.18Å
824	N	29.4	Very low	29.3	Very low	60 Å²	60	105.5 Å²	105.5	32%	0.321	62%	0.624	S	S	.	*			cis	-154.4	160.5	10.8	-127.3	-15.4	0	0	0	107.7	N1977 N1978 I1979	N824-N1977 PolarHBondContact ND2-O 2.65Å; N824-N1978 WeakPolarHBondContact CB-O 3.34Å; N824-N1978 PolarHBondContact ND2-O 2.68Å; N824-I1979 HydrophobicContact CB-CG1 3.98Å; N824-I1979 VanDerWaalsContact CB-N 3.31Å; N824-I1979 VanDerWaalsContact O-CG1 3.23Å; N824-I1979 WeakPolarHBondContact O-CG1 3.25Å
825	V	29.1	Very low	29.6	Very low	53 Å²	53	107.1 Å²	107.1	32%	0.321	63%	0.634	S	S	.	*				50.3	126.2	89.6	162.9	0	0	0	0	112.8	I1979	V825-I1979 WeakPolarHBondContact O-CD1 3.32Å
826	R	26.4	Very low	29.8	Very low	178 Å²	178	109.9 Å²	109.9	67%	0.672	65%	0.65	S	S	*	*			cis	-169	158.4	5.2	-124	-178.7	-153.8	139.7	1.3	112
827	T	26.6	Very low	29.9	Very low	112 Å²	112	109.1 Å²	109.1	69%	0.687	65%	0.646	S	S	*	*			trans	66.1	171.3	142.6	-54	0	0	0	0	116.1
828	V	23.6	Very low	30	Very low	112 Å²	112	110.4 Å²	110.4	68%	0.679	65%	0.646	S	S	*	*			trans	35.8	110.5	168	-78.1	0	0	0	0	117.3
829	N	29.7	Very low	29.9	Very low	138 Å²	138	111 Å²	111	74%	0.738	65%	0.646	S	S	*	*				-169.7	166.1	53.1	-103.3	-34.6	0	0	0	113.7
830	S	30.6	Very low	29.9	Very low	98 Å²	98	111.4 Å²	111.4	69%	0.685	64%	0.642	S	S	*	*			trans	47	108.3	148.5	-56.5	0	0	0	0	119.5
831	A	35.9	Very low	29.8	Very low	85 Å²	85	113 Å²	113	70%	0.702	64%	0.636	S	S	*	*			trans	-57.7	141	138.4	0	0	0	0	0	109.5	I833	A831-I833 HydrophobicContact CB-CG1 4.43Å
832	P	34	Very low	29.5	Very low	112 Å²	112	114.5 Å²	114.5	73%	0.727	65%	0.645	S	S	*	*				-112.3	127.7	115.4	31.8	-32.6	0	0	0	108.7
833	I	25	Very low	29.4	Very low	141 Å²	141	113.1 Å²	113.1	72%	0.723	64%	0.642	S	S	*	*				53.7	93	61	-52.1	173.3	0	0	0	110.5	A831	A831-I833 HydrophobicContact CB-CG1 4.43Å
834	T	33	Very low	29.6	Very low	126 Å²	126	112.2 Å²	112.2	77%	0.773	65%	0.648	S	S	*	*			trans	-162.5	116.2	131.8	13.2	0	0	0	0	110.6
835	T	32.9	Very low	29.9	Very low	97 Å²	97	115.1 Å²	115.1	60%	0.595	66%	0.663	S	S	*	*				60.3	99.4	120.3	-48.9	0	0	0	0	117.1
836	I	29.2	Very low	29.9	Very low	124 Å²	124	121.4 Å²	121.4	64%	0.636	69%	0.685	S	S	*	*				72.2	139.5	71	-61.1	164.3	0	0	0	112.5	R2074	I836-R2074 PolarHBondContact O-NH2 2.95Å
837	D	30.3	Very low	30	Very low	88 Å²	88	121.5 Å²	121.5	47%	0.471	69%	0.691	S	S	.	*			trans	61.1	137.5	-174.6	-57	-39.2	0	0	0	115.2	R2074	D837-R2074 VanDerWaalsContact C-CZ 3.43Å; D837-R2074 VanDerWaalsContact O-CD 3.26Å; D837-R2074 WeakPolarHBondContact O-CD 3.15Å; D837-R2074 PolarHBondContact O-NE 3.07Å; D837-R2074 PolarHBondContact O-NH2 3.15Å; D837-R2074 VanDerWaalsContact O-NH2 3.13Å
838	N	28.8	Very low	30.1	Very low	114 Å²	114	126.8 Å²	126.8	61%	0.61	70%	0.698	S	S	*	*			cis	80.5	142.8	32.2	-63.7	-35.6	0	0	0	116.4	R2074	N838-R2074 PolarHBondContact O-NH1 3.24Å
839	T	26.7	Very low	30.6	Very low	114 Å²	114	127.4 Å²	127.4	70%	0.699	70%	0.702	S	S	*	*			trans	65.7	149.7	153.3	42	0	0	0	0	121
840	I	29.5	Very low	30.7	Very low	135 Å²	135	125.1 Å²	125.1	69%	0.692	70%	0.697	S	S	*	*			trans	69.9	102.6	167.6	-59.6	143.2	0	0	0	112.9
841	T	28.9	Very low	30.9	Very low	114 Å²	114	126 Å²	126	70%	0.699	69%	0.694	S	S	*	*			cis	68.1	158.5	37.2	90.1	0	0	0	0	115.2
842	T	26.7	Very low	30.9	Very low	123 Å²	123	130.8 Å²	130.8	76%	0.755	70%	0.699	S	S	*	*			trans	67.6	156.6	-171.5	81.8	0	0	0	0	113.4
843	T	27.7	Very low	30.9	Very low	114 Å²	114	129.5 Å²	129.5	70%	0.699	70%	0.698	S	S	*	*			cis	-118.4	163.8	4.8	56.6	0	0	0	0	109.2
844	T	36.8	Very low	31.3	Very low	118 Å²	118	127.4 Å²	127.4	72%	0.724	70%	0.696	S	S	*	*	S	Bend	cis	-157.5	166.5	46.8	51.4	0	0	0	0	111.6
845	I	36.9	Very low	31.3	Very low	122 Å²	122	129.5 Å²	129.5	63%	0.626	70%	0.697	S	S	*	*			cis	-155.1	132.8	-24.6	-109.5	168.1	0	0	0	108.5
846	K	29.2	Very low	31.3	Very low	184 Å²	184	132.1 Å²	132.1	80%	0.8	70%	0.702	S	S	*	*			trans	46.9	161.3	145.8	-60.9	176.4	-173.2	167.7	0	122.1
847	K	27.1	Very low	31.5	Very low	180 Å²	180	132.9 Å²	132.9	78%	0.783	71%	0.707	S	S	*	*			cis	176.6	169.2	-26.5	-173.4	166.5	-179.9	176.9	0	107.2
848	R	29.1	Very low	31.5	Very low	224 Å²	224	135.2 Å²	135.2	85%	0.845	72%	0.718	S	S	*	*			trans	88.1	139	168.9	-59.8	179.8	164.2	129.4	-6.1	113
849	T	34.2	Very low	31.7	Very low	124 Å²	124	137 Å²	137	76%	0.761	73%	0.732	S	S	*	*			cis	-164.2	162.3	2.7	15.3	0	0	0	0	107
850	S	33.1	Very low	32	Very low	90 Å²	90	134.8 Å²	134.8	63%	0.629	73%	0.732	S	S	*	*			cis	-167.2	179.7	-21.3	54	0	0	0	0	106.3
851	D	33.9	Very low	31.9	Very low	116 Å²	116	139.3 Å²	139.3	62%	0.62	74%	0.741	S	S	*	*			cis	-162.2	156.7	26.6	-125.6	-52.6	0	0	0	113.5
852	K	35.6	Very low	31.6	Very low	186 Å²	186	141.9 Å²	141.9	81%	0.809	74%	0.743	S	S	*	*			trans	61.8	147.7	158.9	-67.6	153.5	-168.2	175.3	0	119.4
853	A	34	Very low	31.6	Very low	85 Å²	85	143.4 Å²	143.4	70%	0.702	74%	0.739	S	S	*	*			cis	-172.8	157	-14.4	0	0	0	0	0	108.2
854	S	33.4	Very low	31.5	Very low	98 Å²	98	144.8 Å²	144.8	69%	0.685	74%	0.737	S	S	*	*			cis	-172.4	165.9	-13.2	-96.8	0	0	0	0	110.1
855	Q	34	Very low	31	Very low	169 Å²	169	142.7 Å²	142.7	79%	0.79	73%	0.727	S	S	*	*			trans	69.8	151.5	154.2	-75.5	166.1	26.1	0	0	119.2
856	Q	32.8	Very low	30.7	Very low	152 Å²	152	142.9 Å²	142.9	71%	0.71	73%	0.73	S	S	*	*			cis	-167.6	164.7	-29.3	-135.5	172.8	10.7	0	0	111.4
857	L	32.1	Very low	31	Very low	140 Å²	140	142.7 Å²	142.7	73%	0.733	74%	0.737	S	S	*	*			trans	64.4	168.1	161.8	-60	171.2	0	0	0	116.9
858	I	31.6	Very low	31.4	Very low	138 Å²	138	137.7 Å²	137.7	71%	0.708	72%	0.717	S	S	*	*			cis	160.4	132.7	-41.5	-96.4	-177.5	0	0	0	106.3
859	V	32.2	Very low	31.5	Very low	150 Å²	150	135.1 Å²	135.1	91%	0.909	71%	0.714	S	S	*	*			trans	64.1	154.1	172	165.2	0	0	0	0	114.5
860	G	32.5	Very low	31.5	Very low	68 Å²	68	134.5 Å²	134.5	70%	0.701	71%	0.71	S	S	*	*			cis	173.6	-177.7	-9.9	0	0	0	0	0	113.1
861	R	27.3	Very low	31.1	Very low	231 Å²	231	134.3 Å²	134.3	87%	0.872	72%	0.722	S	S	*	*			trans	-84.9	157.8	-171.1	-142	-173.8	-160.3	171.5	5.4	111.9
862	F	24.1	Very low	30.9	Very low	168 Å²	168	131.8 Å²	131.8	74%	0.737	72%	0.718	S	S	*	*			trans	70.6	136.8	179.3	-76.8	-121.3	0	0	0	112.8
863	K	25.3	Very low	30.6	Very low	155 Å²	155	131.2 Å²	131.2	67%	0.674	72%	0.718	S	S	*	*			cis	101	125.8	36.2	-162.7	-158.1	-175.6	-152.2	0	109.7
864	Q	26.6	Very low	30.5	Very low	142 Å²	142	134.4 Å²	134.4	66%	0.664	72%	0.718	S	S	*	*			trans	76.2	137.9	176.5	-36.5	-156.8	-127.3	0	0	114.5	E868	Q864-E868 WeakPolarHBondContact CA-OE1 3.46Å; Q864-E868 WeakPolarHBondContact CB-OE1 3.24Å; Q864-E868 WeakPolarHBondContact CG-OE1 3.46Å; Q864-E868 PolarHBondContact NE2-OE1 2.84Å
865	S	25.1	Very low	30.5	Very low	74 Å²	74	136.2 Å²	136.2	52%	0.517	72%	0.72	S	S	.	*			cis	-139	177.2	-1.6	60.5	0	0	0	0	112.6	E868	S865-E868 VanDerWaalsContact CB-OE2 3.24Å; S865-E868 WeakPolarHBondContact CB-OE2 3.35Å
866	D	32.5	Very low	30.2	Very low	126 Å²	126	134.2 Å²	134.2	67%	0.674	72%	0.719	S	S	*	*	S	Bend	trans	56.9	101.1	163.5	-46.4	-52.5	0	0	0	118.1
867	D	35.5	Very low	30.2	Very low	180 Å²	180	131.8 Å²	131.8	96%	0.963	72%	0.717	S	S	*	*	S	Bend	cis	-72.2	65.6	3.5	-70	-48.2	0	0	0	114.1
868	E	35.6	Very low	30.2	Very low	76 Å²	76	132 Å²	132	36%	0.355	72%	0.715	S	S	.	*			trans	-60.9	129.4	142.5	-91.1	-176.3	167.1	0	0	109.3	Q864 S865	Q864-E868 WeakPolarHBondContact CA-OE1 3.46Å; Q864-E868 WeakPolarHBondContact CB-OE1 3.24Å; Q864-E868 WeakPolarHBondContact CG-OE1 3.46Å; Q864-E868 PolarHBondContact NE2-OE1 2.84Å; S865-E868 VanDerWaalsContact CB-OE2 3.24Å; S865-E868 WeakPolarHBondContact CB-OE2 3.35Å
869	H	29.6	Very low	30.2	Very low	170 Å²	170	134.5 Å²	134.5	79%	0.787	72%	0.716	S	S	*	*				-145.2	134.2	128.5	-113.4	59	0	0	0	110.8
870	T	34.5	Very low	30.1	Very low	110 Å²	110	135.3 Å²	135.3	68%	0.675	71%	0.707	S	S	*	*			trans	37.8	108.2	152.4	59.4	0	0	0	0	117.8
871	G	25.8	Very low	29.8	Very low	86 Å²	86	136.6 Å²	136.6	89%	0.887	71%	0.706	S	S	*	*			cis	69.2	45.7	6.1	0	0	0	0	0	113.6
872	A	28.8	Very low	29.8	Very low	63 Å²	63	131.8 Å²	131.8	52%	0.521	70%	0.702	S	S	.	*			trans	-143.6	101.1	179.5	0	0	0	0	0	115
873	H	30.1	Very low	29.9	Very low	175 Å²	175	128.6 Å²	128.6	81%	0.81	70%	0.7	S	S	*	*			trans	63.6	161.8	135.4	-70	-83.4	0	0	0	122.9
874	H	31.5	Very low	30	Very low	151 Å²	151	126.2 Å²	126.2	70%	0.699	70%	0.703	S	S	*	*			trans	64.6	122.9	139	74.1	-14.1	0	0	0	122.5
875	N	33.5	Very low	30.2	Very low	137 Å²	137	124.8 Å²	124.8	73%	0.733	71%	0.709	S	S	*	*			trans	70.6	101.5	134.9	-59.4	-5.4	0	0	0	118.9
876	T	26.8	Very low	30.6	Very low	126 Å²	126	126.6 Å²	126.6	77%	0.773	72%	0.719	S	S	*	*				18.7	130	101	-21.3	0	0	0	0	114.7
877	P	33.3	Very low	30.3	Very low	102 Å²	102	125.1 Å²	125.1	66%	0.662	72%	0.719	S	S	*	*			cis	-155.5	-177.9	47.6	46.1	-26.8	0	0	0	117.7
878	M	32	Very low	30	Very low	143 Å²	143	121.5 Å²	121.5	70%	0.704	71%	0.708	S	S	*	*			trans	68.7	150.6	146.5	-65.8	-110.9	171.9	0	0	118.3
879	R	31.8	Very low	29.6	Very low	192 Å²	192	122.3 Å²	122.3	73%	0.725	72%	0.722	S	S	*	*			cis	-154.8	161.9	-23.8	-134.2	-171.8	-166	173.5	4.4	109.9
880	K	29.6	Very low	29.5	Very low	167 Å²	167	122 Å²	122	73%	0.726	73%	0.725	S	S	*	*			trans	7.6	116.4	143.5	-68.9	-178.4	176.1	-168.8	0	117.9
881	S	25.6	Very low	29.2	Very low	95 Å²	95	119.7 Å²	119.7	66%	0.664	72%	0.723	S	S	*	*				15.9	131	118.7	60.4	0	0	0	0	119
882	T	28.8	Very low	29.4	Very low	130 Å²	130	123.6 Å²	123.6	80%	0.798	72%	0.72	S	S	*	*				-175.7	150.6	111.4	28.2	0	0	0	0	113
883	S	25	Very low	29.7	Very low	100 Å²	100	124.5 Å²	124.5	70%	0.699	73%	0.727	S	S	*	*			trans	52.4	151.3	145.3	63.7	0	0	0	0	124.2
884	S	28.4	Very low	29.8	Very low	105 Å²	105	124.4 Å²	124.4	73%	0.734	73%	0.725	S	S	*	*			trans	66	107.3	143.3	55.3	0	0	0	0	121.1
885	S	30.2	Very low	29.6	Very low	112 Å²	112	121.9 Å²	121.9	78%	0.783	72%	0.724	S	S	*	*			trans	-46.4	160	137.5	-30.3	0	0	0	0	111.5
886	P	34.3	Very low	29.3	Very low	112 Å²	112	119.4 Å²	119.4	73%	0.727	72%	0.718	S	S	*	*			cis	-150.9	174.1	47.3	42.6	-21.7	0	0	0	118.9
887	S	26.5	Very low	29.6	Very low	96 Å²	96	120.6 Å²	120.6	67%	0.671	72%	0.719	S	S	*	*			trans	43.8	131.3	143.5	63.3	0	0	0	0	123.6
888	S	27.4	Very low	29.3	Very low	104 Å²	104	124.1 Å²	124.1	73%	0.727	72%	0.724	S	S	*	*			trans	96.8	131.9	133.9	75.5	0	0	0	0	121.5
889	S	28.9	Very low	29.2	Very low	93 Å²	93	121.9 Å²	121.9	65%	0.65	72%	0.719	S	S	*	*			trans	53.1	122.6	147	48.6	0	0	0	0	122.5
890	L	27.8	Very low	29.1	Very low	162 Å²	162	117.8 Å²	117.8	85%	0.848	72%	0.719	S	S	*	*				37.6	127.5	119	-54.8	160.7	0	0	0	117.7
891	G	27.6	Very low	29.2	Very low	62 Å²	62	115.4 Å²	115.4	64%	0.639	72%	0.719	S	S	*	*			cis	132.4	-165.1	13.4	0	0	0	0	0	110.4
892	M	30.4	Very low	29.7	Very low	169 Å²	169	116 Å²	116	83%	0.833	72%	0.719	S	S	*	*			trans	71.4	158.2	178.4	-46.3	176.3	75.8	0	0	112.9
893	A	33.5	Very low	30	Very low	81 Å²	81	115.1 Å²	115.1	67%	0.669	71%	0.709	S	S	*	*			cis	-126.5	150.4	11.1	0	0	0	0	0	111.5
894	K	32	Very low	30.4	Very low	173 Å²	173	116.1 Å²	116.1	75%	0.752	71%	0.707	S	S	*	*				56.9	136.1	96.8	-58	-179.7	-175.5	176.8	0	114.6
895	S	27.4	Very low	30.8	Very low	98 Å²	98	117.8 Å²	117.8	69%	0.685	71%	0.707	S	S	*	*			cis	-170.6	176.4	-7.5	48.4	0	0	0	0	111.1
896	S	28.5	Very low	30.9	Very low	86 Å²	86	119.1 Å²	119.1	60%	0.601	71%	0.705	S	S	*	*			trans	66.5	125.1	142.7	54.2	0	0	0	0	120.9
897	N	32.8	Very low	31	Very low	150 Å²	150	122.5 Å²	122.5	80%	0.802	71%	0.708	S	S	*	*			trans	80.5	147.9	137	-65	10.1	0	0	0	119.4
898	F	26	Very low	31.4	Very low	176 Å²	176	123.1 Å²	123.1	77%	0.772	71%	0.71	S	S	*	*			cis	-162.7	148.7	-24.5	-166.4	-125.3	0	0	0	110.1
899	V	30.6	Very low	31.6	Very low	97 Å²	97	125 Å²	125	59%	0.588	71%	0.711	S	S	*	*			trans	6.5	138.1	151.9	174.9	0	0	0	0	120.2
900	S	29.6	Very low	31.3	Very low	105 Å²	105	125.5 Å²	125.5	73%	0.734	71%	0.714	S	S	*	*				-172.6	145.2	113.7	-71.4	0	0	0	0	109
901	T	33	Very low	31.3	Very low	117 Å²	117	123.6 Å²	123.6	72%	0.718	71%	0.714	S	S	*	*			cis	-154	-179.7	0.6	4.9	0	0	0	0	106.7
902	T	35.1	Very low	31.2	Very low	108 Å²	108	124.6 Å²	124.6	66%	0.663	72%	0.716	S	S	*	*			cis	-137.3	143.7	10.8	44	0	0	0	0	111.7
903	D	34.2	Very low	31	Very low	111 Å²	111	121.9 Å²	121.9	59%	0.594	71%	0.714	S	S	*	*				50	140.3	120.3	-39.2	-1.6	0	0	0	120.4
904	D	34.7	Very low	30.6	Very low	122 Å²	122	122.2 Å²	122.2	65%	0.652	71%	0.712	S	S	*	*			cis	-166.6	158.7	-18	-118.6	-19.7	0	0	0	111.5
905	L	35.5	Very low	30.5	Very low	140 Å²	140	121.5 Å²	121.5	73%	0.733	72%	0.716	S	S	*	*			trans	47.9	152.9	145.3	-56.9	170.6	0	0	0	120.9
906	D	32.9	Very low	30.7	Very low	140 Å²	140	121.8 Å²	121.8	75%	0.749	72%	0.718	S	S	*	*			cis	-158.7	-179.3	-4.5	-137.5	-28.8	0	0	0	112.8
907	K	36.2	Very low	30.8	Very low	182 Å²	182	122.8 Å²	122.8	79%	0.791	73%	0.725	S	S	*	*			trans	-106.9	155.2	158.9	-83.6	179.1	179.4	172.8	0	108.8
908	P	35.8	Very low	30.8	Very low	110 Å²	110	120.7 Å²	120.7	71%	0.714	72%	0.722	S	S	*	*				-163.9	-153.3	62.8	43.7	-18.8	0	0	0	116.1
909	I	30.2	Very low	31.1	Very low	143 Å²	143	121 Å²	121	73%	0.733	72%	0.723	S	S	*	*			trans	59.3	107.5	155.8	-67.4	169.5	0	0	0	116.5
910	S	24.2	Very low	31	Very low	103 Å²	103	121.1 Å²	121.1	72%	0.72	73%	0.728	S	S	*	*				73.4	131	68.7	-58.5	0	0	0	0	116
911	S	27.1	Very low	30.8	Very low	122 Å²	122	120.5 Å²	120.5	85%	0.853	73%	0.729	S	S	*	*			trans	70.1	157.6	170.6	79.7	0	0	0	0	117.7
912	A	26.2	Very low	31	Very low	83 Å²	83	120.1 Å²	120.1	69%	0.686	73%	0.729	S	S	*	*			cis	-165.9	139.3	-33.9	0	0	0	0	0	111.4
913	S	25.1	Very low	30.7	Very low	113 Å²	113	121.1 Å²	121.1	79%	0.79	73%	0.729	S	S	*	*			trans	54.5	-179.6	157.5	68	0	0	0	0	116.6
914	S	25.7	Very low	30.6	Very low	88 Å²	88	123.8 Å²	123.8	62%	0.615	74%	0.736	S	S	*	*			cis	-150	172.5	3.7	-25.4	0	0	0	0	111.2
915	N	29.6	Very low	30.4	Very low	158 Å²	158	124 Å²	124	85%	0.845	74%	0.737	S	S	*	*			trans	87.7	123.7	167.6	-52.9	-22.4	0	0	0	116
916	S	31.6	Very low	30.2	Very low	103 Å²	103	126.3 Å²	126.3	72%	0.72	74%	0.736	S	S	*	*			cis	-155.5	154.5	-4.4	50.6	0	0	0	0	113.5
917	S	31.1	Very low	30.1	Very low	107 Å²	107	126.7 Å²	126.7	75%	0.748	73%	0.731	S	S	*	*			trans	28.1	127.7	153.5	55.5	0	0	0	0	120.1
918	S	32	Very low	29.8	Very low	107 Å²	107	126.5 Å²	126.5	75%	0.748	73%	0.725	S	S	*	*			cis	-171.4	-166.5	4.4	56.5	0	0	0	0	108.5
919	K	32.6	Very low	29.4	Very low	182 Å²	182	128.4 Å²	128.4	79%	0.791	72%	0.723	S	S	*	*			cis	-161.4	166.5	13.1	-147	172.4	-177.8	175.6	0	111.9
920	S	28.4	Very low	29.2	Very low	100 Å²	100	131.5 Å²	131.5	70%	0.699	73%	0.727	S	S	*	*			trans	12.8	120.3	155.4	58	0	0	0	0	122
921	A	25.1	Very low	29.3	Very low	91 Å²	91	133.6 Å²	133.6	75%	0.752	73%	0.73	S	S	*	*			trans	-84.8	-148.4	145.8	0	0	0	0	0	109
922	P	37.1	Very low	29.3	Very low	109 Å²	109	132.1 Å²	132.1	71%	0.708	72%	0.72	S	S	*	*			cis	-155.9	-172.3	15.8	48.7	-27	0	0	0	120.1
923	L	29.2	Very low	29.6	Very low	129 Å²	129	134.3 Å²	134.3	68%	0.675	72%	0.724	S	S	*	*			trans	83.6	127.5	145.9	-70.3	-177	0	0	0	124.8
924	K	32.6	Very low	29.7	Very low	167 Å²	167	137.4 Å²	137.4	73%	0.726	73%	0.729	S	S	*	*			trans	73.7	147	141.4	-67.1	164	-175.2	171.8	0	117.6
925	N	30	Very low	30	Very low	128 Å²	128	140.1 Å²	140.1	68%	0.684	74%	0.736	S	S	*	*			cis	-160	150.6	7.4	-133.7	-11.1	0	0	0	115.5
926	R	32.3	Very low	30.1	Very low	188 Å²	188	138.7 Å²	138.7	71%	0.709	73%	0.728	S	S	*	*			trans	57.3	118.3	145.9	-75.1	161.8	64.4	144	-4.9	124.2
927	K	29.9	Very low	29.9	Very low	148 Å²	148	140.3 Å²	140.3	64%	0.643	73%	0.728	S	S	*	*				72.5	152.9	126.9	-67.7	-174.5	171.1	-178.4	0	119.1
928	R	29.2	Very low	30.2	Very low	178 Å²	178	140.4 Å²	140.4	67%	0.672	73%	0.726	S	S	*	*			cis	-165	139.6	-2.4	-120.7	-166.8	-133	-106.7	24.3	110.2
929	F	27.7	Very low	30	Very low	150 Å²	150	143.6 Å²	143.6	66%	0.658	73%	0.733	S	S	*	*			trans	54.8	164.7	154.3	-66.7	-63.1	0	0	0	120.7
930	Y	27.2	Very low	30	Very low	208 Å²	208	142.5 Å²	142.5	82%	0.816	74%	0.736	S	S	*	*			cis	-143.1	153.5	-0	-107.1	-66.6	0	0	0	108.3
931	D	25.4	Very low	30	Very low	146 Å²	146	144.5 Å²	144.5	78%	0.781	74%	0.738	S	S	*	*			trans	-156.6	150.2	158.1	-155.7	6.1	0	0	0	115.5
932	S	27.6	Very low	30.3	Very low	92 Å²	92	150.4 Å²	150.4	64%	0.643	75%	0.747	S	S	*	*			trans	26.9	136.2	153.3	-69.1	0	0	0	0	124.3
933	T	33.2	Very low	29.9	Very low	128 Å²	128	149 Å²	149	79%	0.785	75%	0.753	S	S	*	*				-168	125.1	122.2	10.4	0	0	0	0	112.5
934	M	26.6	Very low	29.8	Very low	179 Å²	179	154.1 Å²	154.1	88%	0.882	76%	0.764	S	S	*	*			trans	-156.9	146.2	159	-98.8	-54.4	134.2	0	0	111.7
935	L	32	Very low	29.8	Very low	145 Å²	145	155.2 Å²	155.2	76%	0.759	77%	0.771	S	S	*	*			trans	-151.5	177.8	-173.7	-67.3	178.2	0	0	0	108.5
936	N	30.7	Very low	29.7	Very low	128 Å²	128	153.5 Å²	153.5	68%	0.684	77%	0.769	S	S	*	*			cis	-158.9	172.4	6.7	-133.2	3.1	0	0	0	108.2
937	L	27.2	Very low	29.7	Very low	137 Å²	137	152.5 Å²	152.5	72%	0.717	78%	0.776	S	S	*	*			cis	-145.2	-64	-6.2	-157	-175.2	0	0	0	111.9
938	P	38.7	Very low	29.5	Very low	109 Å²	109	152.7 Å²	152.7	71%	0.708	78%	0.784	S	S	*	*			trans	-118.2	144.8	-131.6	37.7	-27.3	0	0	0	117.8
939	L	27.3	Very low	29.6	Very low	173 Å²	173	155.4 Å²	155.4	91%	0.906	80%	0.795	S	S	*	*			trans	-141.6	164.6	145	-115.3	175.4	0	0	0	109.9
940	L	33.6	Very low	29.7	Very low	160 Å²	160	155 Å²	155	84%	0.838	80%	0.804	S	S	*	*			trans	-85.6	163.3	-157	-77.1	158.7	0	0	0	116.4
941	N	28.1	Very low	29.7	Very low	141 Å²	141	153.6 Å²	153.6	75%	0.754	81%	0.805	S	S	*	*			trans	-51.5	152.4	-178.9	-61.4	-27.1	0	0	0	115.6
942	F	30.2	Very low	30.2	Very low	215 Å²	215	153.1 Å²	153.1	94%	0.943	80%	0.802	S	S	*	*				-162.9	132.4	114.9	-100.1	-65.8	0	0	0	111.8
943	G	29.9	Very low	31	Very low	81 Å²	81	153.9 Å²	153.9	84%	0.835	80%	0.799	S	S	*	*			trans	67.2	108.8	156.3	0	0	0	0	0	119.2
944	R	27	Very low	31.9	Very low	236 Å²	236	151.4 Å²	151.4	89%	0.891	79%	0.786	S	S	*	*			trans	-109.5	141.9	157.2	-88.1	-168.4	177.3	-146.9	4.4	109.9
945	E	31.3	Very low	33.3	Very low	190 Å²	190	149.8 Å²	149.8	89%	0.888	78%	0.781	S	S	*	*				-166.1	146.4	129.1	-105.2	166.7	-160.7	0	0	106.4
946	S	29.8	Very low	35.1	Very low	92 Å²	92	145.5 Å²	145.5	64%	0.643	76%	0.763	S	S	*	*			cis	170.5	118.9	-22.3	-96.2	0	0	0	0	103.4
947	I	31.1	Very low	37.6	Very low	167 Å²	167	143 Å²	143	86%	0.856	75%	0.749	S	S	*	*			trans	-164.1	128.4	157.5	-102.8	153	0	0	0	106.8
948	D	27	Very low	40.7	Very low	151 Å²	151	136.5 Å²	136.5	81%	0.807	72%	0.715	S	S	*	*			trans	-85.8	130.6	179.5	-62	-72.2	0	0	0	111.8
949	R	30.2	Very low	43.2	Very low	236 Å²	236	133.4 Å²	133.4	89%	0.891	69%	0.694	S	S	*	*			trans	177.2	83.4	150.1	-97.5	156.7	-163	-153.4	3.6	108.5
950	V	29.3	Very low	46.2	Very low	140 Å²	140	128 Å²	128	85%	0.848	67%	0.668	S	S	*	*			trans	-86.2	161.3	166.2	-176.6	0	0	0	0	107.9
951	E	28.8	Very low	48.8	Very low	180 Å²	180	129.4 Å²	129.4	84%	0.841	66%	0.663	S	S	*	*	S	Bend	trans	73.8	69.8	-175.8	-52.1	-170.8	-175.9	0	0	115.2
952	D	35.3	Very low	52	Low	136 Å²	136	122.7 Å²	122.7	73%	0.727	63%	0.627	S	S	*	*	S	Bend	trans	-173.1	-21.5	146.4	-114.1	-20.8	0	0	0	113.4	S954	D952-S954 PolarHBondContact O-N 2.84Å
953	L	43.1	Very low	55.1	Low	108 Å²	108	116.3 Å²	116.3	57%	0.565	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	5.3	-173.8	-71.4	170.4	0	0	0	116.5	C956 R1030 W1039	L953-C956 HydrophobicContact CD2-CB 4.44Å; L953-R1030 PolarHBondContact O-NH2 2.87Å; L953-W1039 HydrophobicContact CD2-CZ2 4.42Å
954	S	53	Low	58.3	Low	76 Å²	76	112.4 Å²	112.4	53%	0.531	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.2	-44.6	175.6	48.2	0	0	0	0	111.8	D952 R1030	D952-S954 PolarHBondContact O-N 2.84Å; S954-R1030 PolarHBondContact O-NE 3.01Å
955	N	56.5	Low	61.6	Low	145 Å²	145	107.9 Å²	107.9	78%	0.775	54%	0.539	S	S	*	.	S	Bend	trans	-90.2	-8.5	-171.7	-68.2	-27.2	0	0	0	114.5	I957	N955-I957 PolarHBondContact O-N 2.86Å
956	C	68.8	Low	64.7	Low	54 Å²	54	98.8 Å²	98.8	37%	0.365	50%	0.497	S	S	.	.			trans	-66	129.8	-179.2	-66.6	0	0	0	0	112.3	L953 I958 W1039	L953-C956 HydrophobicContact CD2-CB 4.44Å; C956-I958 PolarHBondContact O-N 3.48Å; C956-W1039 HydrophobicContact CB-CH2 4.15Å
957	I	84.4	Confident	67.6	Low	77 Å²	77	99.3 Å²	99.3	40%	0.395	49%	0.485	S	S	.	.			trans	-70.1	112.1	175.7	-53.8	-178.3	0	0	0	108.9	N955 P959 H981 I1011	N955-I957 PolarHBondContact O-N 2.86Å; I957-P959 WeakPolarHBondContact O-CD 3.35Å; I957-H981 WeakPolarHBondContact CG2-NE2 3.13Å; I957-I1011 HydrophobicContact CD1-CD1 3.61Å; I957-I1011 HydrophobicContact CG1-CD1 3.64Å; I957-I1011 HydrophobicContact CG2-CD1 4.49Å
958	I	91.2	Very high	70.2	Confident	0 Å²	0	93.4 Å²	93.4	0%	0	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-69.6	119.8	-178	-48.9	165.7	0	0	0	108.9	C956 V964 I978 H981 Y1013 I1033 V1036	C956-I958 PolarHBondContact O-N 3.48Å; I958-V964 HydrophobicContact CD1-CG1 4.43Å; I958-V964 HydrophobicContact CG2-CG1 4.21Å; I958-I978 HydrophobicContact CB-CD1 3.66Å; I958-I978 HydrophobicContact CD1-CD1 4.36Å; I958-I978 HydrophobicContact CG2-CD1 3.47Å; I958-I978 VanDerWaalsContact CG2-CD1 3.47Å; I958-H981 PolarHBondContact O-NE2 3.38Å; I958-Y1013 HydrophobicContact CB-CE1 3.94Å; I958-Y1013 HydrophobicContact CG1-CE1 4.4Å; I958-Y1013 PolarHBondContact N-OH 3.24Å; I958-I1033 HydrophobicContact CD1-CB 4.39Å; I958-I1033 HydrophobicContact CD1-CD1 3.87Å; I958-I1033 HydrophobicContact CD1-CG2 3.79Å; I958-V1036 HydrophobicContact CB-CG2 4.45Å; I958-V1036 HydrophobicContact CD1-CG2 3.86Å; I958-V1036 HydrophobicContact CG1-CG2 3.9Å; I958-V1036 HydrophobicContact CG2-CG1 4.14Å; I958-V1036 HydrophobicContact CG2-CG2 3.67Å
959	P	90.6	Very high	72.7	Confident	43 Å²	43	88.8 Å²	88.8	28%	0.279	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-57.6	152.4	-172.6	-28.3	35	0	0	0	114.6	I957 S962 W1039 G1040	I957-P959 WeakPolarHBondContact O-CD 3.35Å; P959-S962 WeakPolarHBondContact CD-OG 3.5Å; P959-S962 WeakPolarHBondContact O-CB 3.15Å; P959-S962 PolarHBondContact O-N 2.87Å; P959-S962 VanDerWaalsContact O-N 3.08Å; P959-S962 PolarHBondContact O-OG 3.47Å; P959-W1039 VanDerWaalsContact CD-CZ3 3.48Å; P959-W1039 HydrophobicContact CG-CE3 3.98Å; P959-W1039 HydrophobicContact CG-CZ3 4.34Å; P959-G1040 WeakPolarHBondContact CB-O 3.28Å
960	V	90.9	Very high	74.8	Confident	59 Å²	59	82.4 Å²	82.4	36%	0.358	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	145.7	169.2	-177.2	0	0	0	0	109.5	S962 L979	V960-S962 PolarHBondContact O-N 2.78Å; V960-L979 WeakPolarHBondContact CG1-O 3.36Å
961	R	89.4	Confident	76.8	Confident	191 Å²	191	84.6 Å²	84.6	72%	0.721	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	-2.2	-167.7	-51.8	178.6	174	135.2	-1.2	115.9	K977 I978	R961-K977 WeakPolarHBondContact O-CE 3.34Å; R961-I978 WeakPolarHBondContact CA-O 3.36Å; R961-I978 PolarHBondContact N-O 2.82Å
962	S	95	Very high	79.5	Confident	0 Å²	0	79.2 Å²	79.2	0%	0	41%	0.409	C	S	.	.			trans	-63.5	148.1	170.7	-52	0	0	0	0	111.7	P959 V960 K977 I978 E1038 G1040	P959-S962 WeakPolarHBondContact CD-OG 3.5Å; P959-S962 WeakPolarHBondContact O-CB 3.15Å; P959-S962 PolarHBondContact O-N 2.87Å; P959-S962 VanDerWaalsContact O-N 3.08Å; P959-S962 PolarHBondContact O-OG 3.47Å; V960-S962 PolarHBondContact O-N 2.78Å; S962-K977 WeakPolarHBondContact O-CA 3.35Å; S962-I978 PolarHBondContact O-N 2.89Å; S962-E1038 CarbonylContact C-O 3.55Å; S962-E1038 VanDerWaalsContact CA-O 3.27Å; S962-E1038 WeakPolarHBondContact CA-O 3.42Å; S962-E1038 WeakPolarHBondContact CB-O 3.42Å; S962-G1040 PolarHBondContact OG-N 3.03Å
963	R	95.6	Very high	82.1	Confident	80 Å²	80	75.2 Å²	75.2	30%	0.302	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	133.2	178.3	-163.1	177	169.3	176.2	-2.3	108.5	E975 A976 M1018 I1037 E1038	R963-E975 HydrophobicContact CG-CG 4.25Å; R963-E975 IonicContact CZ-OE1 3.16Å; R963-E975 VanDerWaalsContact CZ-OE1 3.28Å; R963-E975 IonicContact CZ-OE2 3.25Å; R963-E975 IonicContact NE-OE1 2.87Å; R963-E975 PolarHBondContact NE-OE1 2.92Å; R963-E975 IonicContact NE-OE2 2.71Å; R963-E975 PolarHBondContact NE-OE2 2.64Å; R963-E975 VanDerWaalsContact NH2-CD 3.29Å; R963-E975 IonicContact NH2-OE1 2.72Å; R963-E975 PolarHBondContact NH2-OE1 3Å; R963-E975 IonicContact NH2-OE2 2.73Å; R963-E975 PolarHBondContact NH2-OE2 2.67Å; R963-A976 WeakPolarHBondContact CA-O 3.36Å; R963-M1018 HydrophobicContact CG-SD 3.96Å; R963-I1037 HydrophobicContact CB-CB 4.33Å; R963-I1037 HydrophobicContact CG-CB 4.31Å; R963-I1037 HydrophobicContact CG-CD1 4.4Å; R963-I1037 PolarHBondContact O-N 2.75Å; R963-E1038 HydrophobicContact CB-CB 3.6Å; R963-E1038 WeakPolarHBondContact CD-OE2 3.38Å; R963-E1038 PolarHBondContact N-O 3.2Å; R963-E1038 IonicContact NH1-OE2 2.63Å; R963-E1038 PolarHBondContact O-N 2.57Å; R963-E1038 VanDerWaalsContact O-N 3.17Å
964	V	96.5	Very high	84.6	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	151.9	-165.9	-71.7	0	0	0	0	111.9	I958 V966 A976 I978 I1033 S1035 V1036	I958-V964 HydrophobicContact CD1-CG1 4.43Å; I958-V964 HydrophobicContact CG2-CG1 4.21Å; V964-V966 HydrophobicContact CG2-CG2 3.98Å; V964-A976 HydrophobicContact CG2-CB 4.27Å; V964-A976 WeakPolarHBondContact CG2-O 3.35Å; V964-A976 PolarHBondContact N-O 3.47Å; V964-A976 PolarHBondContact O-N 3.4Å; V964-I978 HydrophobicContact CG1-CD1 3.87Å; V964-I978 HydrophobicContact CG1-CG1 4.33Å; V964-I978 HydrophobicContact CG2-CG1 4.12Å; V964-I1033 HydrophobicContact CB-CG2 3.84Å; V964-I1033 HydrophobicContact CG1-CG2 3.84Å; V964-S1035 CarbonylContact C-O 3.56Å; V964-S1035 VanDerWaalsContact CA-O 3.29Å; V964-S1035 WeakPolarHBondContact CA-O 3.49Å; V964-V1036 HydrophobicContact CG1-CG1 4.49Å; V964-V1036 HydrophobicContact CG1-CG2 4.33Å
965	R	96.1	Very high	86.6	Confident	140 Å²	140	73.4 Å²	73.4	53%	0.528	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	126.2	162.9	-69.7	-165.7	178.2	170.2	0.6	109.8	Y974 I1033 I1034 S1035 I1037	R965-Y974 WeakPolarHBondContact CA-O 3.46Å; R965-I1033 CarbonylContact O-C 3.51Å; R965-I1033 WeakPolarHBondContact O-CA 3.49Å; R965-I1034 HydrophobicContact CB-CB 4.23Å; R965-I1034 PolarHBondContact O-N 2.95Å; R965-S1035 PolarHBondContact N-O 2.86Å; R965-I1037 HydrophobicContact CG-CD1 3.61Å; R965-I1037 HydrophobicContact CG-CG1 3.95Å
966	V	95.4	Very high	88.5	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	126.4	179.7	173	0	0	0	0	109	V964 A973 Y974 A976 V1015 Y1017 V1028 R1032 I1033	V964-V966 HydrophobicContact CG2-CG2 3.98Å; V966-A973 WeakPolarHBondContact O-CA 3.39Å; V966-Y974 PolarHBondContact N-O 3.35Å; V966-Y974 PolarHBondContact O-N 3.05Å; V966-A976 HydrophobicContact CB-CB 4.5Å; V966-A976 HydrophobicContact CG2-CB 3.91Å; V966-V1015 HydrophobicContact CG2-CG1 4.32Å; V966-V1015 HydrophobicContact CG2-CG2 4.32Å; V966-Y1017 HydrophobicContact CB-CE1 3.86Å; V966-Y1017 HydrophobicContact CG1-CE1 3.73Å; V966-Y1017 WeakPolarHBondContact CG1-OH 3.42Å; V966-V1028 HydrophobicContact CG1-CG1 3.91Å; V966-V1028 HydrophobicContact CG1-CG2 4.2Å; V966-R1032 WeakPolarHBondContact CA-O 3.19Å; V966-R1032 HydrophobicContact CG1-CG 4.36Å; V966-I1033 HydrophobicContact CG2-CG1 4.17Å
967	R	92.3	Very high	89.8	Confident	102 Å²	102	68.2 Å²	68.2	39%	0.385	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	140.1	173.6	-154.3	171.9	72.1	119.2	6.4	109.3	D970 V972 R1032 I1034	R967-D970 IonicContact CZ-OD1 2.71Å; R967-D970 VanDerWaalsContact NH1-CA 3.25Å; R967-D970 PolarHBondContact NH1-O 2.75Å; R967-D970 IonicContact NH1-OD1 3.62Å; R967-D970 PolarHBondContact NH1-OD1 2.83Å; R967-D970 IonicContact NH2-OD1 2.79Å; R967-D970 PolarHBondContact NH2-OD1 3.05Å; R967-V972 CarbonylContact C-O 3.6Å; R967-V972 WeakPolarHBondContact CA-O 3.49Å; R967-R1032 HydrophobicContact CB-CG 4.26Å; R967-R1032 PolarHBondContact N-O 3.22Å; R967-R1032 WeakPolarHBondContact O-CG 3.5Å; R967-R1032 PolarHBondContact O-NE 3.1Å; R967-R1032 PolarHBondContact O-NH2 3.25Å; R967-I1034 HydrophobicContact CB-CD1 3.86Å; R967-I1034 HydrophobicContact CB-CG1 4.13Å; R967-I1034 HydrophobicContact CG-CD1 4.23Å
968	C	84.3	Confident	90.4	Very high	44 Å²	44	64.6 Å²	64.6	30%	0.297	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	122.1	176.6	-168.9	0	0	0	0	109.5	V972 Y974	C968-V972 PolarHBondContact N-O 3.46Å; C968-Y974 HydrophobicContact CB-CD2 3.66Å; C968-Y974 HydrophobicContact CB-CE2 3.85Å
969	G	79.6	Confident	90.5	Very high	53 Å²	53	68.1 Å²	68.1	55%	0.546	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	-159.4	-153.2	0	0	0	0	0	110.8
970	D	74.5	Confident	90.7	Very high	102 Å²	102	70.5 Å²	70.5	55%	0.545	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-23.9	-175.6	-76.3	-68.8	0	0	0	115.6	R967	R967-D970 IonicContact CZ-OD1 2.71Å; R967-D970 VanDerWaalsContact NH1-CA 3.25Å; R967-D970 PolarHBondContact NH1-O 2.75Å; R967-D970 IonicContact NH1-OD1 3.62Å; R967-D970 PolarHBondContact NH1-OD1 2.83Å; R967-D970 IonicContact NH2-OD1 2.79Å; R967-D970 PolarHBondContact NH2-OD1 3.05Å
971	H	71.6	Confident	90.7	Very high	186 Å²	186	70.9 Å²	70.9	86%	0.861	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.3	-6.6	-167.5	-54.4	-58.9	0	0	0	115.7
972	V	84.8	Confident	90.5	Very high	67 Å²	67	64 Å²	64	41%	0.406	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	136.2	-175.5	-168.3	0	0	0	0	111.2	R967 C968 Y974	R967-V972 CarbonylContact C-O 3.6Å; R967-V972 WeakPolarHBondContact CA-O 3.49Å; C968-V972 PolarHBondContact N-O 3.46Å; V972-Y974 HydrophobicContact CB-CE2 4.23Å; V972-Y974 HydrophobicContact CG1-CD1 4.47Å; V972-Y974 HydrophobicContact CG1-CD2 4.22Å; V972-Y974 HydrophobicContact CG1-CE1 3.93Å; V972-Y974 HydrophobicContact CG1-CE2 3.65Å; V972-Y974 VanDerWaalsContact CG1-CZ 3.49Å
973	A	90.9	Very high	89.3	Confident	53 Å²	53	72.7 Å²	72.7	44%	0.438	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	120	175.5	0	0	0	0	0	110	V966 I1034	V966-A973 WeakPolarHBondContact O-CA 3.39Å; A973-I1034 HydrophobicContact CB-CD1 3.49Å; A973-I1034 VanDerWaalsContact CB-CD1 3.49Å
974	Y	94.5	Very high	87	Confident	85 Å²	85	71.7 Å²	71.7	33%	0.333	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	147.7	176.5	-65.1	-70.9	0	0	0	111.1	R965 V966 C968 V972 Y1017 W1020	R965-Y974 WeakPolarHBondContact CA-O 3.46Å; V966-Y974 PolarHBondContact N-O 3.35Å; V966-Y974 PolarHBondContact O-N 3.05Å; C968-Y974 HydrophobicContact CB-CD2 3.66Å; C968-Y974 HydrophobicContact CB-CE2 3.85Å; V972-Y974 HydrophobicContact CB-CE2 4.23Å; V972-Y974 HydrophobicContact CG1-CD1 4.47Å; V972-Y974 HydrophobicContact CG1-CD2 4.22Å; V972-Y974 HydrophobicContact CG1-CE1 3.93Å; V972-Y974 HydrophobicContact CG1-CE2 3.65Å; V972-Y974 VanDerWaalsContact CG1-CZ 3.49Å; Y974-Y1017 HydrophobicContact CD2-CE1 4.44Å; Y974-Y1017 HydrophobicContact CG-CD1 4.43Å; Y974-W1020 HydrophobicContact CE1-CZ2 4.13Å; Y974-W1020 HydrophobicContact CE2-CZ2 4.46Å
975	E	95.4	Very high	83.9	Confident	61 Å²	61	80.2 Å²	80.2	29%	0.285	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	137.2	171.1	179.7	166.2	-112.2	0	0	110.5	R963 M1018 I1037	R963-E975 HydrophobicContact CG-CG 4.25Å; R963-E975 IonicContact CZ-OE1 3.16Å; R963-E975 VanDerWaalsContact CZ-OE1 3.28Å; R963-E975 IonicContact CZ-OE2 3.25Å; R963-E975 IonicContact NE-OE1 2.87Å; R963-E975 PolarHBondContact NE-OE1 2.92Å; R963-E975 IonicContact NE-OE2 2.71Å; R963-E975 PolarHBondContact NE-OE2 2.64Å; R963-E975 VanDerWaalsContact NH2-CD 3.29Å; R963-E975 IonicContact NH2-OE1 2.72Å; R963-E975 PolarHBondContact NH2-OE1 3Å; R963-E975 IonicContact NH2-OE2 2.73Å; R963-E975 PolarHBondContact NH2-OE2 2.67Å; E975-M1018 HydrophobicContact CG-CB 4.27Å; E975-M1018 HydrophobicContact CG-CG 4.24Å; E975-M1018 HydrophobicContact CG-SD 3.7Å; E975-M1018 PolarHBondContact O-N 3.08Å; E975-M1018 WeakPolarHBondContact OE2-CE 3.42Å; E975-I1037 HydrophobicContact CB-CD1 4.38Å; E975-I1037 HydrophobicContact CG-CD1 3.79Å; E975-I1037 WeakPolarHBondContact OE1-CD1 3.28Å
976	A	96.1	Very high	81.1	Confident	0 Å²	0	78.8 Å²	78.8	0%	0	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	165.6	-178.9	0	0	0	0	0	112.1	R963 V964 V966 V1015 H1016 Y1017	R963-A976 WeakPolarHBondContact CA-O 3.36Å; V964-A976 HydrophobicContact CG2-CB 4.27Å; V964-A976 WeakPolarHBondContact CG2-O 3.35Å; V964-A976 PolarHBondContact N-O 3.47Å; V964-A976 PolarHBondContact O-N 3.4Å; V966-A976 HydrophobicContact CB-CB 4.5Å; V966-A976 HydrophobicContact CG2-CB 3.91Å; A976-V1015 HydrophobicContact CB-CB 4.08Å; A976-H1016 CarbonylContact C-O 3.56Å; A976-H1016 WeakPolarHBondContact CA-O 3.46Å; A976-H1016 WeakPolarHBondContact CB-O 3.14Å; A976-Y1017 HydrophobicContact CB-CD1 3.99Å; A976-Y1017 HydrophobicContact CB-CG 4.46Å
977	K	96.7	Very high	78.2	Confident	90 Å²	90	83.6 Å²	83.6	39%	0.391	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	132.8	176.6	-165	166.6	-166.3	160.1	0	111.1	R961 S962 L979 V1015 H1016	R961-K977 WeakPolarHBondContact O-CE 3.34Å; S962-K977 WeakPolarHBondContact O-CA 3.35Å; K977-L979 PolarHBondContact O-N 2.94Å; K977-V1015 WeakPolarHBondContact O-CA 3.15Å; K977-H1016 PolarHBondContact N-O 2.8Å; K977-H1016 PolarHBondContact O-N 3.07Å
978	I	96.4	Very high	75.3	Confident	1 Å²	1	87.2 Å²	87.2	1%	0.005	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	118.6	177.5	-65.9	168.9	0	0	0	109.4	I958 R961 S962 V964 Y1013 V1015 I1033	I958-I978 HydrophobicContact CB-CD1 3.66Å; I958-I978 HydrophobicContact CD1-CD1 4.36Å; I958-I978 HydrophobicContact CG2-CD1 3.47Å; I958-I978 VanDerWaalsContact CG2-CD1 3.47Å; R961-I978 WeakPolarHBondContact CA-O 3.36Å; R961-I978 PolarHBondContact N-O 2.82Å; S962-I978 PolarHBondContact O-N 2.89Å; V964-I978 HydrophobicContact CG1-CD1 3.87Å; V964-I978 HydrophobicContact CG1-CG1 4.33Å; V964-I978 HydrophobicContact CG2-CG1 4.12Å; I978-Y1013 HydrophobicContact CD1-CD1 3.63Å; I978-Y1013 HydrophobicContact CD1-CE1 4.08Å; I978-Y1013 HydrophobicContact CD1-CG 4.41Å; I978-Y1013 HydrophobicContact CG1-CD1 4.13Å; I978-Y1013 HydrophobicContact CG2-CD1 3.94Å; I978-V1015 HydrophobicContact CG1-CG1 4.17Å; I978-I1033 HydrophobicContact CD1-CD1 4.42Å
979	L	94.9	Very high	72.6	Confident	73 Å²	73	91.5 Å²	91.5	38%	0.382	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	-35.9	177.6	-63.6	-173.6	0	0	0	113.2	V960 K977 R1014 H1016 D1025	V960-L979 WeakPolarHBondContact CG1-O 3.36Å; K977-L979 PolarHBondContact O-N 2.94Å; L979-R1014 HydrophobicContact CB-CG 4.36Å; L979-R1014 HydrophobicContact CD1-CG 4.34Å; L979-R1014 PolarHBondContact N-O 2.73Å; L979-H1016 HydrophobicContact CD1-CB 3.92Å; L979-H1016 HydrophobicContact CD2-CB 4.11Å; L979-H1016 HydrophobicContact CG-CB 3.94Å; L979-D1025 WeakPolarHBondContact CD1-OD2 2.98Å
980	K	93.5	Very high	70.2	Confident	93 Å²	93	92.1 Å²	92.1	40%	0.404	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	156.6	173.1	59.6	166.2	-178.7	172.3	0	111.8	L982 R1014	K980-L982 HydrophobicContact CD-CD2 4.34Å; K980-L982 HydrophobicContact CD-CG 4.36Å; K980-R1014 HydrophobicContact CG-CB 3.75Å; K980-R1014 PolarHBondContact O-N 3.13Å
981	H	90.9	Very high	68.2	Low	67 Å²	67	95.6 Å²	95.6	31%	0.31	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	146.8	158.9	-52.9	118.3	0	0	0	110.6	I957 I958 I1011 Y1013	I957-H981 WeakPolarHBondContact CG2-NE2 3.13Å; I958-H981 PolarHBondContact O-NE2 3.38Å; H981-I1011 HydrophobicContact CB-CG2 4.43Å; H981-Y1013 AromaticContact CD2-CD1 3.7Å; H981-Y1013 AromaticContact CD2-CE1 3.47Å; H981-Y1013 VanDerWaalsContact CD2-CE1 3.47Å; H981-Y1013 WeakPolarHBondContact CD2-CE1 3.31Å; H981-Y1013 AromaticContact NE2-CE1 3.81Å
982	L	85	Confident	66.2	Low	46 Å²	46	95.6 Å²	95.6	24%	0.241	52%	0.519	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	80.2	170.2	-80	166	0	0	0	106.1	K980 Q1012 R1014 V1027	K980-L982 HydrophobicContact CD-CD2 4.34Å; K980-L982 HydrophobicContact CD-CG 4.36Å; L982-Q1012 WeakPolarHBondContact CA-O 3.41Å; L982-Q1012 HydrophobicContact CB-CB 3.91Å; L982-Q1012 PolarHBondContact N-O 2.85Å; L982-Q1012 PolarHBondContact O-N 3.32Å; L982-R1014 HydrophobicContact CD1-CB 4.1Å; L982-V1027 HydrophobicContact CD1-CB 4.19Å; L982-V1027 HydrophobicContact CD1-CG1 3.57Å; L982-V1027 HydrophobicContact CD1-CG2 3.52Å
983	R	69.6	Low	63.8	Low	183 Å²	183	96.7 Å²	96.7	69%	0.691	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-67	131.9	163.9	-173.3	-178.4	-69.3	170	-2.6	106.9	Q985	R983-Q985 PolarHBondContact O-N 3.44Å
984	P	47.7	Very low	61	Low	60 Å²	60	100.7 Å²	100.7	39%	0.39	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-58.5	132.4	177.1	22.1	-31.8	0	0	0	110.4	P986 G1009	P984-P986 WeakPolarHBondContact O-CD 3.48Å; P984-G1009 WeakPolarHBondContact CD-O 3.47Å; P984-G1009 WeakPolarHBondContact CG-O 3.4Å
985	Q	31.8	Very low	58	Low	178 Å²	178	98 Å²	98	83%	0.832	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-74.3	122.7	172.4	-71.1	-87.8	24.8	0	0	108.3	R983	R983-Q985 PolarHBondContact O-N 3.44Å
986	P	37.2	Very low	55	Low	110 Å²	110	99.2 Å²	99.2	71%	0.714	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-64.6	140.6	159	29.8	-32.3	0	0	0	108.5	P984	P984-P986 WeakPolarHBondContact O-CD 3.48Å
987	A	34.5	Very low	51.9	Low	102 Å²	102	101.3 Å²	101.3	84%	0.843	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-65.5	153.4	-180	0	0	0	0	0	111.7
988	L	31.5	Very low	48.9	Very low	178 Å²	178	101.3 Å²	101.3	93%	0.932	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-70.6	130.9	-174.4	-69.3	166.9	0	0	0	112.4
989	C	28.6	Very low	45.9	Very low	133 Å²	133	107 Å²	107	90%	0.899	61%	0.609	S	S	*	*			trans	-148.2	151	143.7	-154.3	0	0	0	0	107.8
990	G	28.5	Very low	42.6	Very low	67 Å²	67	112.1 Å²	112.1	69%	0.691	64%	0.636	S	S	*	*			trans	-153.6	145	-175.8	0	0	0	0	0	113.6
991	L	32.1	Very low	39.4	Very low	174 Å²	174	112.7 Å²	112.7	91%	0.911	65%	0.651	S	S	*	*			trans	-158.3	175	152.2	-106.1	169.9	0	0	0	108.4
992	K	30.5	Very low	36.5	Very low	186 Å²	186	116.1 Å²	116.1	81%	0.809	68%	0.677	S	S	*	*			trans	-88.1	145.3	-161.3	-64.5	-178.2	177.9	178.9	0	114.4
993	T	32.9	Very low	33.8	Very low	90 Å²	90	118 Å²	118	55%	0.552	70%	0.7	S	S	*	*			trans	42.9	120	145.1	55.3	0	0	0	0	119.2
994	D	32.1	Very low	31.8	Very low	137 Å²	137	114 Å²	114	73%	0.733	70%	0.699	S	S	*	*				-159	176.6	86.6	-129.1	-34.6	0	0	0	114.5
995	N	32.2	Very low	30.9	Very low	28 Å²	28	122.9 Å²	122.9	15%	0.15	73%	0.725	C	S	.	*			trans	-108.5	129.5	-161	-67.5	-97.8	0	0	0	116	R1618 L1619 H1621	N995-R1618 HydrophobicContact CB-CG 3.86Å; N995-R1618 VanDerWaalsContact CB-NE 3.34Å; N995-R1618 VanDerWaalsContact O-CZ 3.24Å; N995-R1618 PolarHBondContact O-NE 2.85Å; N995-R1618 PolarHBondContact O-NH2 3.17Å; N995-L1619 HydrophobicContact CB-CD2 4.36Å; N995-L1619 VanDerWaalsContact OD1-CB 3.29Å; N995-L1619 WeakPolarHBondContact OD1-CB 3.48Å; N995-L1619 WeakPolarHBondContact OD1-CD2 3.33Å; N995-H1621 PolarHBondContact ND2-CD2 2.94Å; N995-H1621 PolarHBondContact ND2-NE2 3.19Å; N995-H1621 PolarHBondContact OD1-CD2 2.8Å; N995-H1621 VanDerWaalsContact OD1-CD2 3.23Å
996	S	32.5	Very low	30.7	Very low	88 Å²	88	119.3 Å²	119.3	62%	0.615	72%	0.72	S	S	*	*			trans	-158.1	151.2	142.3	-158.5	0	0	0	0	112.3	L1619	S996-L1619 WeakPolarHBondContact O-CD1 3.46Å
997	A	31.6	Very low	30.4	Very low	44 Å²	44	117.6 Å²	117.6	36%	0.364	72%	0.723	S	S	.	*			trans	-142.9	170.2	163.6	0	0	0	0	0	109.3	S1617	A997-S1617 WeakPolarHBondContact O-CB 3.4Å
998	D	33.7	Very low	30.6	Very low	90 Å²	90	118.6 Å²	118.6	48%	0.481	72%	0.718	S	S	.	*				-166.9	175.7	123.4	-119.9	-13.1	0	0	0	109.9	R1616 S1617	D998-R1616 WeakPolarHBondContact OD2-CG 3.49Å; D998-R1616 IonicContact OD2-NE 2.81Å; D998-R1616 PolarHBondContact OD2-NE 3.05Å; D998-S1617 VanDerWaalsContact OD1-CA 3.3Å; D998-S1617 WeakPolarHBondContact OD1-CA 3.42Å; D998-S1617 PolarHBondContact OD1-N 3.01Å
999	S	32.5	Very low	31.7	Very low	121 Å²	121	112.4 Å²	112.4	85%	0.846	70%	0.697	S	S	*	*			trans	72	126.2	171.9	72.8	0	0	0	0	117.7
1000	L	26.2	Very low	33.7	Very low	180 Å²	180	111.2 Å²	111.2	94%	0.942	68%	0.682	S	S	*	*			trans	-103.8	122.1	167.7	-83.5	150.7	0	0	0	108.4
1001	S	26.7	Very low	36.3	Very low	105 Å²	105	110.1 Å²	110.1	73%	0.734	66%	0.66	S	S	*	*			trans	-161.8	122.3	151.3	-169.4	0	0	0	0	111.9
1002	T	29.8	Very low	39.3	Very low	138 Å²	138	106.1 Å²	106.1	85%	0.847	64%	0.636	S	S	*	*			trans	43.3	90.6	141.6	-36	0	0	0	0	118.5
1003	A	27	Very low	42.4	Very low	87 Å²	87	97.5 Å²	97.5	72%	0.719	60%	0.599	S	S	*	*			trans	-145.6	147.3	161.6	0	0	0	0	0	112.6
1004	S	28	Very low	45.4	Very low	98 Å²	98	97.8 Å²	97.8	69%	0.685	59%	0.59	S	S	*	*			trans	-54.9	132.1	-179.2	172.9	0	0	0	0	114	S1006	S1004-S1006 VanDerWaalsContact C-N 3.26Å; S1004-S1006 PolarHBondContact O-N 3.25Å; S1004-S1006 VanDerWaalsContact O-N 3.09Å; S1004-S1006 PolarHBondContact OG-OG 3.06Å
1005	W	29.5	Very low	48.4	Very low	246 Å²	246	91.3 Å²	91.3	93%	0.932	56%	0.555	S	S	*	*			trans	-84.7	63	169.9	-78.1	74.1	0	0	0	111.9
1006	S	27	Very low	51.5	Low	103 Å²	103	92 Å²	92	72%	0.72	56%	0.557	S	S	*	*			trans	-99.2	99	172.6	44.1	0	0	0	0	110.5	S1004	S1004-S1006 VanDerWaalsContact C-N 3.26Å; S1004-S1006 PolarHBondContact O-N 3.25Å; S1004-S1006 VanDerWaalsContact O-N 3.09Å; S1004-S1006 PolarHBondContact OG-OG 3.06Å
1007	G	30.7	Very low	54.5	Low	75 Å²	75	88.2 Å²	88.2	77%	0.773	53%	0.53	S	S	*	.	S	Bend	trans	123.9	43.4	164.7	0	0	0	0	0	119.1
1008	V	38.7	Very low	57.3	Low	123 Å²	123	89.9 Å²	89.9	75%	0.745	53%	0.531	S	S	*	.	S	Bend	trans	-134.7	135	156.6	-173.3	0	0	0	0	108.6
1009	G	54.5	Low	59.9	Low	48 Å²	48	89.8 Å²	89.8	50%	0.495	55%	0.551	S	S	.	*			trans	-58.6	146	-161.8	0	0	0	0	0	116.6	P984	P984-G1009 WeakPolarHBondContact CD-O 3.47Å; P984-G1009 WeakPolarHBondContact CG-O 3.4Å
1010	D	71.5	Confident	62.6	Low	108 Å²	108	89.3 Å²	89.3	58%	0.578	53%	0.531	S	S	*	.			trans	-42.6	135.3	-176.4	-74.9	2.6	0	0	0	114.5	Q1012	D1010-Q1012 PolarHBondContact O-N 2.83Å; D1010-Q1012 VanDerWaalsContact O-N 3.13Å
1011	I	83.6	Confident	65.6	Low	43 Å²	43	84.8 Å²	84.8	22%	0.221	51%	0.508	C	S	.	.			trans	-65.7	115.8	170.5	-63	170.6	0	0	0	108.5	I957 H981 Y1013	I957-I1011 HydrophobicContact CD1-CD1 3.61Å; I957-I1011 HydrophobicContact CG1-CD1 3.64Å; I957-I1011 HydrophobicContact CG2-CD1 4.49Å; H981-I1011 HydrophobicContact CB-CG2 4.43Å; I1011-Y1013 HydrophobicContact CB-CE2 4.36Å; I1011-Y1013 HydrophobicContact CG2-CE1 4.37Å; I1011-Y1013 HydrophobicContact CG2-CE2 3.93Å; I1011-Y1013 WeakPolarHBondContact O-CD2 3.46Å; I1011-Y1013 WeakPolarHBondContact O-CE2 3.16Å
1012	Q	93.2	Very high	68.4	Low	91 Å²	91	83.9 Å²	83.9	43%	0.425	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	154.1	169.8	-61.7	178.6	-7.9	0	0	109.8	L982 D1010 V1027	L982-Q1012 WeakPolarHBondContact CA-O 3.41Å; L982-Q1012 HydrophobicContact CB-CB 3.91Å; L982-Q1012 PolarHBondContact N-O 2.85Å; L982-Q1012 PolarHBondContact O-N 3.32Å; D1010-Q1012 PolarHBondContact O-N 2.83Å; D1010-Q1012 VanDerWaalsContact O-N 3.13Å; Q1012-V1027 HydrophobicContact CB-CG1 3.73Å; Q1012-V1027 HydrophobicContact CG-CG1 4.31Å
1013	Y	96	Very high	70.7	Confident	4 Å²	4	86.1 Å²	86.1	2%	0.016	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	122.8	-179.3	-62.4	-96.9	0	0	0	107.9	I958 I978 H981 I1011 V1015 V1028 R1030 I1033	I958-Y1013 HydrophobicContact CB-CE1 3.94Å; I958-Y1013 HydrophobicContact CG1-CE1 4.4Å; I958-Y1013 PolarHBondContact N-OH 3.24Å; I978-Y1013 HydrophobicContact CD1-CD1 3.63Å; I978-Y1013 HydrophobicContact CD1-CE1 4.08Å; I978-Y1013 HydrophobicContact CD1-CG 4.41Å; I978-Y1013 HydrophobicContact CG1-CD1 4.13Å; I978-Y1013 HydrophobicContact CG2-CD1 3.94Å; H981-Y1013 AromaticContact CD2-CD1 3.7Å; H981-Y1013 AromaticContact CD2-CE1 3.47Å; H981-Y1013 VanDerWaalsContact CD2-CE1 3.47Å; H981-Y1013 WeakPolarHBondContact CD2-CE1 3.31Å; H981-Y1013 AromaticContact NE2-CE1 3.81Å; I1011-Y1013 HydrophobicContact CB-CE2 4.36Å; I1011-Y1013 HydrophobicContact CG2-CE1 4.37Å; I1011-Y1013 HydrophobicContact CG2-CE2 3.93Å; I1011-Y1013 WeakPolarHBondContact O-CD2 3.46Å; I1011-Y1013 WeakPolarHBondContact O-CE2 3.16Å; Y1013-V1015 PolarHBondContact O-N 2.82Å; Y1013-V1028 PolarHBondContact N-O 3.13Å; Y1013-V1028 PolarHBondContact O-N 3.27Å; Y1013-R1030 HydrophobicContact CE2-CB 3.96Å; Y1013-I1033 HydrophobicContact CD1-CD1 4.35Å; Y1013-I1033 HydrophobicContact CD2-CD1 3.7Å; Y1013-I1033 HydrophobicContact CE2-CD1 4.24Å; Y1013-I1033 HydrophobicContact CG-CD1 3.78Å
1014	R	96.1	Very high	73.5	Confident	97 Å²	97	85.4 Å²	85.4	37%	0.366	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	116.6	165.1	-178.2	178.9	169.4	172.2	-2.4	107.1	L979 K980 L982 D1025 E1026	L979-R1014 HydrophobicContact CB-CG 4.36Å; L979-R1014 HydrophobicContact CD1-CG 4.34Å; L979-R1014 PolarHBondContact N-O 2.73Å; K980-R1014 HydrophobicContact CG-CB 3.75Å; K980-R1014 PolarHBondContact O-N 3.13Å; L982-R1014 HydrophobicContact CD1-CB 4.1Å; R1014-D1025 IonicContact CZ-OD2 3.25Å; R1014-D1025 VanDerWaalsContact CZ-OD2 3.25Å; R1014-D1025 IonicContact NE-OD2 2.72Å; R1014-D1025 PolarHBondContact NE-OD2 3.48Å; R1014-D1025 IonicContact NH2-OD2 3.12Å; R1014-D1025 PolarHBondContact NH2-OD2 3.14Å; R1014-E1026 CarbonylContact C-O 3.59Å; R1014-E1026 WeakPolarHBondContact CA-O 3.25Å
1015	V	96.1	Very high	76.7	Confident	0 Å²	0	82.3 Å²	82.3	0%	0	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	146.6	-179.2	-62.2	0	0	0	0	110.9	V966 A976 K977 I978 Y1013 D1025 E1026 V1028	V966-V1015 HydrophobicContact CG2-CG1 4.32Å; V966-V1015 HydrophobicContact CG2-CG2 4.32Å; A976-V1015 HydrophobicContact CB-CB 4.08Å; K977-V1015 WeakPolarHBondContact O-CA 3.15Å; I978-V1015 HydrophobicContact CG1-CG1 4.17Å; Y1013-V1015 PolarHBondContact O-N 2.82Å; V1015-D1025 WeakPolarHBondContact O-CA 3.14Å; V1015-E1026 HydrophobicContact CG2-CB 4.37Å; V1015-E1026 PolarHBondContact N-O 2.17Å; V1015-E1026 PolarHBondContact O-N 3.22Å; V1015-V1028 HydrophobicContact CG2-CB 4.05Å; V1015-V1028 HydrophobicContact CG2-CG2 3.51Å
1016	H	96.2	Very high	79.7	Confident	43 Å²	43	73.3 Å²	73.3	20%	0.199	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	113.3	172.4	176.9	72.5	0	0	0	109	A976 K977 L979 M1018 W1020 D1025	A976-H1016 CarbonylContact C-O 3.56Å; A976-H1016 WeakPolarHBondContact CA-O 3.46Å; A976-H1016 WeakPolarHBondContact CB-O 3.14Å; K977-H1016 PolarHBondContact N-O 2.8Å; K977-H1016 PolarHBondContact O-N 3.07Å; L979-H1016 HydrophobicContact CD1-CB 3.92Å; L979-H1016 HydrophobicContact CD2-CB 4.11Å; L979-H1016 HydrophobicContact CG-CB 3.94Å; H1016-M1018 PolarHBondContact O-N 3.38Å; H1016-W1020 PolarHBondContact CE1-O 2.89Å; H1016-D1025 IonicContact CE1-OD1 3.27Å; H1016-D1025 IonicContact CG-OD1 2.67Å; H1016-D1025 IonicContact ND1-OD1 3.02Å; H1016-D1025 PolarHBondContact ND1-OD1 3.22Å
1017	Y	96.1	Very high	82.9	Confident	9 Å²	9	71.7 Å²	71.7	4%	0.035	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	127.1	178.9	-67.2	-77.7	0	0	0	110.9	V966 Y974 A976 G1019 W1020 E1026 R1032	V966-Y1017 HydrophobicContact CB-CE1 3.86Å; V966-Y1017 HydrophobicContact CG1-CE1 3.73Å; V966-Y1017 WeakPolarHBondContact CG1-OH 3.42Å; Y974-Y1017 HydrophobicContact CD2-CE1 4.44Å; Y974-Y1017 HydrophobicContact CG-CD1 4.43Å; A976-Y1017 HydrophobicContact CB-CD1 3.99Å; A976-Y1017 HydrophobicContact CB-CG 4.46Å; Y1017-G1019 PolarHBondContact O-N 3.18Å; Y1017-W1020 WeakPolarHBondContact O-CB 3.19Å; Y1017-W1020 PolarHBondContact O-N 2.99Å; Y1017-E1026 HydrophobicContact CE2-CB 3.97Å; Y1017-E1026 WeakPolarHBondContact CE2-OE2 3.05Å; Y1017-E1026 PolarHBondContact OH-OE2 3.45Å; Y1017-R1032 PolarHBondContact OH-NH2 3Å
1018	M	90.8	Very high	85.9	Confident	78 Å²	78	68.1 Å²	68.1	38%	0.384	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	127.5	-174.4	-75.1	-174.4	47.9	0	0	110.9	R963 E975 H1016	R963-M1018 HydrophobicContact CG-SD 3.96Å; E975-M1018 HydrophobicContact CG-CB 4.27Å; E975-M1018 HydrophobicContact CG-CG 4.24Å; E975-M1018 HydrophobicContact CG-SD 3.7Å; E975-M1018 PolarHBondContact O-N 3.08Å; E975-M1018 WeakPolarHBondContact OE2-CE 3.42Å; H1016-M1018 PolarHBondContact O-N 3.38Å
1019	G	88.6	Confident	88.5	Confident	89 Å²	89	64.1 Å²	64.1	92%	0.918	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.5	-3.6	-172.4	0	0	0	0	0	114.9	Y1017	Y1017-G1019 PolarHBondContact O-N 3.18Å
1020	W	88.6	Confident	90.2	Very high	111 Å²	111	65 Å²	65	42%	0.42	33%	0.33	S	S	.	.	S	Bend	trans	-97.7	157.2	178.5	-65	61.3	0	0	0	111.5	Y974 H1016 Y1017 H1024	Y974-W1020 HydrophobicContact CE1-CZ2 4.13Å; Y974-W1020 HydrophobicContact CE2-CZ2 4.46Å; H1016-W1020 PolarHBondContact CE1-O 2.89Å; Y1017-W1020 WeakPolarHBondContact O-CB 3.19Å; Y1017-W1020 PolarHBondContact O-N 2.99Å; W1020-H1024 HydrophobicContact CB-CB 4.48Å; W1020-H1024 HydrophobicContact CE3-CB 4.15Å; W1020-H1024 AromaticContact CE3-CD2 3.64Å; W1020-H1024 AromaticContact CE3-CG 3.93Å; W1020-H1024 AromaticContact CE3-NE2 3.91Å
1021	N	87.8	Confident	91.1	Very high	84 Å²	84	64.6 Å²	64.6	45%	0.449	34%	0.336	S	S	.	.			trans	-74.8	143.2	174.1	-178.2	-89.3	0	0	0	110.8	R1023 H1024	N1021-R1023 HydrophobicContact CB-CG 4.21Å; N1021-R1023 PolarHBondContact O-N 2.9Å; N1021-R1023 WeakPolarHBondContact OD1-CB 3.49Å; N1021-R1023 WeakPolarHBondContact OD1-CD 3.12Å; N1021-R1023 WeakPolarHBondContact OD1-CG 3.45Å; N1021-R1023 PolarHBondContact OD1-N 3.25Å; N1021-R1023 VanDerWaalsContact OD1-N 3.15Å; N1021-H1024 WeakPolarHBondContact O-CB 3.4Å; N1021-H1024 PolarHBondContact O-CD2 3.35Å; N1021-H1024 PolarHBondContact O-N 3.4Å
1022	T	86.4	Confident	91.5	Very high	87 Å²	87	65.6 Å²	65.6	53%	0.534	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-58.4	-14	-176.9	49.8	0	0	0	0	115.6	H1024 D1025	T1022-H1024 PolarHBondContact O-N 3.44Å; T1022-D1025 WeakPolarHBondContact CA-OD1 2.99Å; T1022-D1025 WeakPolarHBondContact O-CB 3.18Å; T1022-D1025 VanDerWaalsContact O-CG 3.29Å; T1022-D1025 PolarHBondContact O-N 3.14Å
1023	R	78	Confident	91.5	Very high	185 Å²	185	61.4 Å²	61.4	70%	0.698	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-61.6	-15.1	166.4	78.1	-168.7	-174.2	-132.9	3	114.1	N1021	N1021-R1023 HydrophobicContact CB-CG 4.21Å; N1021-R1023 PolarHBondContact O-N 2.9Å; N1021-R1023 WeakPolarHBondContact OD1-CB 3.49Å; N1021-R1023 WeakPolarHBondContact OD1-CD 3.12Å; N1021-R1023 WeakPolarHBondContact OD1-CG 3.45Å; N1021-R1023 PolarHBondContact OD1-N 3.25Å; N1021-R1023 VanDerWaalsContact OD1-N 3.15Å
1024	H	86.7	Confident	91.3	Very high	71 Å²	71	65.7 Å²	65.7	33%	0.329	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-106.8	15.8	179.7	-56.8	-68.4	0	0	0	112.3	W1020 N1021 T1022 E1026	W1020-H1024 HydrophobicContact CB-CB 4.48Å; W1020-H1024 HydrophobicContact CE3-CB 4.15Å; W1020-H1024 AromaticContact CE3-CD2 3.64Å; W1020-H1024 AromaticContact CE3-CG 3.93Å; W1020-H1024 AromaticContact CE3-NE2 3.91Å; N1021-H1024 WeakPolarHBondContact O-CB 3.4Å; N1021-H1024 PolarHBondContact O-CD2 3.35Å; N1021-H1024 PolarHBondContact O-N 3.4Å; T1022-H1024 PolarHBondContact O-N 3.44Å; H1024-E1026 PolarHBondContact O-N 2.18Å
1025	D	93.8	Very high	91.1	Very high	33 Å²	33	63.2 Å²	63.2	18%	0.176	34%	0.338	C	S	.	.			trans	-60.2	125.5	167.9	-77.5	15.7	0	0	0	109.8	L979 R1014 V1015 H1016 T1022	L979-D1025 WeakPolarHBondContact CD1-OD2 2.98Å; R1014-D1025 IonicContact CZ-OD2 3.25Å; R1014-D1025 VanDerWaalsContact CZ-OD2 3.25Å; R1014-D1025 IonicContact NE-OD2 2.72Å; R1014-D1025 PolarHBondContact NE-OD2 3.48Å; R1014-D1025 IonicContact NH2-OD2 3.12Å; R1014-D1025 PolarHBondContact NH2-OD2 3.14Å; V1015-D1025 WeakPolarHBondContact O-CA 3.14Å; H1016-D1025 IonicContact CE1-OD1 3.27Å; H1016-D1025 IonicContact CG-OD1 2.67Å; H1016-D1025 IonicContact ND1-OD1 3.02Å; H1016-D1025 PolarHBondContact ND1-OD1 3.22Å; T1022-D1025 WeakPolarHBondContact CA-OD1 2.99Å; T1022-D1025 WeakPolarHBondContact O-CB 3.18Å; T1022-D1025 VanDerWaalsContact O-CG 3.29Å; T1022-D1025 PolarHBondContact O-N 3.14Å
1026	E	93.6	Very high	91	Very high	58 Å²	58	64.9 Å²	64.9	27%	0.271	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	154	-175.5	-165.1	174.2	-172.2	0	0	111.1	R1014 V1015 Y1017 H1024 V1028 R1032	R1014-E1026 CarbonylContact C-O 3.59Å; R1014-E1026 WeakPolarHBondContact CA-O 3.25Å; V1015-E1026 HydrophobicContact CG2-CB 4.37Å; V1015-E1026 PolarHBondContact N-O 2.17Å; V1015-E1026 PolarHBondContact O-N 3.22Å; Y1017-E1026 HydrophobicContact CE2-CB 3.97Å; Y1017-E1026 WeakPolarHBondContact CE2-OE2 3.05Å; Y1017-E1026 PolarHBondContact OH-OE2 3.45Å; H1024-E1026 PolarHBondContact O-N 2.18Å; E1026-V1028 HydrophobicContact CB-CG2 3.96Å; E1026-V1028 HydrophobicContact CG-CG2 3.8Å; E1026-R1032 IonicContact OE1-CZ 3.43Å; E1026-R1032 VanDerWaalsContact OE1-CZ 3.22Å; E1026-R1032 IonicContact OE1-NH1 3.79Å; E1026-R1032 PolarHBondContact OE1-NH1 3.32Å; E1026-R1032 IonicContact OE1-NH2 3.45Å; E1026-R1032 PolarHBondContact OE1-NH2 3.34Å; E1026-R1032 IonicContact OE2-CZ 2.73Å; E1026-R1032 IonicContact OE2-NH1 3.93Å; E1026-R1032 IonicContact OE2-NH2 2.77Å; E1026-R1032 PolarHBondContact OE2-NH2 3.03Å
1027	V	94.4	Very high	90.8	Very high	68 Å²	68	66.1 Å²	66.1	41%	0.412	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	116	171	178.3	0	0	0	0	108.2	L982 Q1012	L982-V1027 HydrophobicContact CD1-CB 4.19Å; L982-V1027 HydrophobicContact CD1-CG1 3.57Å; L982-V1027 HydrophobicContact CD1-CG2 3.52Å; Q1012-V1027 HydrophobicContact CB-CG1 3.73Å; Q1012-V1027 HydrophobicContact CG-CG1 4.31Å
1028	V	93	Very high	90.5	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	128.4	-163.2	173.3	0	0	0	0	109.9	V966 Y1013 V1015 E1026 R1032 I1033	V966-V1028 HydrophobicContact CG1-CG1 3.91Å; V966-V1028 HydrophobicContact CG1-CG2 4.2Å; Y1013-V1028 PolarHBondContact N-O 3.13Å; Y1013-V1028 PolarHBondContact O-N 3.27Å; V1015-V1028 HydrophobicContact CG2-CB 4.05Å; V1015-V1028 HydrophobicContact CG2-CG2 3.51Å; E1026-V1028 HydrophobicContact CB-CG2 3.96Å; E1026-V1028 HydrophobicContact CG-CG2 3.8Å; V1028-R1032 HydrophobicContact CG1-CB 3.67Å; V1028-R1032 HydrophobicContact CG1-CG 3.78Å; V1028-I1033 HydrophobicContact CG1-CG1 4.28Å
1029	P	93.1	Very high	90.4	Very high	39 Å²	39	72.8 Å²	72.8	25%	0.253	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	159.6	177.6	31.1	-36	0	0	0	111.8	S1031 R1032	P1029-S1031 PolarHBondContact O-N 3.3Å; P1029-S1031 VanDerWaalsContact O-N 3.1Å; P1029-R1032 HydrophobicContact CG-CB 4.08Å; P1029-R1032 PolarHBondContact O-N 3.34Å
1030	R	91.1	Very high	90	Very high	66 Å²	66	69.3 Å²	69.3	25%	0.249	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-51.4	-36.2	-180	-179.2	57.8	-173.4	90.2	0.1	113.6	L953 S954 Y1013 R1032 I1033	L953-R1030 PolarHBondContact O-NH2 2.87Å; S954-R1030 PolarHBondContact O-NE 3.01Å; Y1013-R1030 HydrophobicContact CE2-CB 3.96Å; R1030-R1032 VanDerWaalsContact C-N 3.31Å; R1030-R1032 PolarHBondContact O-N 2.86Å; R1030-I1033 PolarHBondContact NH1-O 3.42Å; R1030-I1033 PolarHBondContact O-N 3.45Å
1031	S	90.1	Very high	88.7	Confident	100 Å²	100	75.4 Å²	75.4	70%	0.699	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-66.7	-23.9	179.9	52.2	0	0	0	0	114.7	P1029	P1029-S1031 PolarHBondContact O-N 3.3Å; P1029-S1031 VanDerWaalsContact O-N 3.1Å
1032	R	92.4	Very high	86.7	Confident	64 Å²	64	75 Å²	75	24%	0.242	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-93.1	-2.5	178.8	-175.9	170	167.4	-153.8	-15.8	112.4	V966 R967 Y1017 E1026 V1028 P1029 R1030	V966-R1032 WeakPolarHBondContact CA-O 3.19Å; V966-R1032 HydrophobicContact CG1-CG 4.36Å; R967-R1032 HydrophobicContact CB-CG 4.26Å; R967-R1032 PolarHBondContact N-O 3.22Å; R967-R1032 WeakPolarHBondContact O-CG 3.5Å; R967-R1032 PolarHBondContact O-NE 3.1Å; R967-R1032 PolarHBondContact O-NH2 3.25Å; Y1017-R1032 PolarHBondContact OH-NH2 3Å; E1026-R1032 IonicContact OE1-CZ 3.43Å; E1026-R1032 VanDerWaalsContact OE1-CZ 3.22Å; E1026-R1032 IonicContact OE1-NH1 3.79Å; E1026-R1032 PolarHBondContact OE1-NH1 3.32Å; E1026-R1032 IonicContact OE1-NH2 3.45Å; E1026-R1032 PolarHBondContact OE1-NH2 3.34Å; E1026-R1032 IonicContact OE2-CZ 2.73Å; E1026-R1032 IonicContact OE2-NH1 3.93Å; E1026-R1032 IonicContact OE2-NH2 2.77Å; E1026-R1032 PolarHBondContact OE2-NH2 3.03Å; V1028-R1032 HydrophobicContact CG1-CB 3.67Å; V1028-R1032 HydrophobicContact CG1-CG 3.78Å; P1029-R1032 HydrophobicContact CG-CB 4.08Å; P1029-R1032 PolarHBondContact O-N 3.34Å; R1030-R1032 VanDerWaalsContact C-N 3.31Å; R1030-R1032 PolarHBondContact O-N 2.86Å
1033	I	93.7	Very high	84.5	Confident	4 Å²	4	76.8 Å²	76.8	2%	0.021	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	107	166.3	-63.9	168.5	0	0	0	108.9	I958 V964 R965 V966 I978 Y1013 V1028 R1030	I958-I1033 HydrophobicContact CD1-CB 4.39Å; I958-I1033 HydrophobicContact CD1-CD1 3.87Å; I958-I1033 HydrophobicContact CD1-CG2 3.79Å; V964-I1033 HydrophobicContact CB-CG2 3.84Å; V964-I1033 HydrophobicContact CG1-CG2 3.84Å; R965-I1033 CarbonylContact O-C 3.51Å; R965-I1033 WeakPolarHBondContact O-CA 3.49Å; V966-I1033 HydrophobicContact CG2-CG1 4.17Å; I978-I1033 HydrophobicContact CD1-CD1 4.42Å; Y1013-I1033 HydrophobicContact CD1-CD1 4.35Å; Y1013-I1033 HydrophobicContact CD2-CD1 3.7Å; Y1013-I1033 HydrophobicContact CE2-CD1 4.24Å; Y1013-I1033 HydrophobicContact CG-CD1 3.78Å; V1028-I1033 HydrophobicContact CG1-CG1 4.28Å; R1030-I1033 PolarHBondContact NH1-O 3.42Å; R1030-I1033 PolarHBondContact O-N 3.45Å
1034	I	91.4	Very high	82.2	Confident	93 Å²	93	75.4 Å²	75.4	48%	0.477	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	-46.9	-176.6	-60.9	162.4	0	0	0	110.8	R965 R967 A973	R965-I1034 HydrophobicContact CB-CB 4.23Å; R965-I1034 PolarHBondContact O-N 2.95Å; R967-I1034 HydrophobicContact CB-CD1 3.86Å; R967-I1034 HydrophobicContact CB-CG1 4.13Å; R967-I1034 HydrophobicContact CG-CD1 4.23Å; A973-I1034 HydrophobicContact CB-CD1 3.49Å; A973-I1034 VanDerWaalsContact CB-CD1 3.49Å
1035	S	91.8	Very high	79.5	Confident	46 Å²	46	80 Å²	80	32%	0.322	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	153.7	-179.2	62.5	0	0	0	0	112.3	V964 R965	V964-S1035 CarbonylContact C-O 3.56Å; V964-S1035 VanDerWaalsContact CA-O 3.29Å; V964-S1035 WeakPolarHBondContact CA-O 3.49Å; R965-S1035 PolarHBondContact N-O 2.86Å
1036	V	92.6	Very high	76.4	Confident	35 Å²	35	85.7 Å²	85.7	21%	0.212	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	123.1	165.3	-171.3	0	0	0	0	107.7	I958 V964 W1039	I958-V1036 HydrophobicContact CB-CG2 4.45Å; I958-V1036 HydrophobicContact CD1-CG2 3.86Å; I958-V1036 HydrophobicContact CG1-CG2 3.9Å; I958-V1036 HydrophobicContact CG2-CG1 4.14Å; I958-V1036 HydrophobicContact CG2-CG2 3.67Å; V964-V1036 HydrophobicContact CG1-CG1 4.49Å; V964-V1036 HydrophobicContact CG1-CG2 4.33Å; V1036-W1039 HydrophobicContact CB-CZ2 4.43Å; V1036-W1039 HydrophobicContact CG1-CD2 4.07Å; V1036-W1039 HydrophobicContact CG1-CG 3.88Å; V1036-W1039 HydrophobicContact CG2-CZ2 4.03Å
1037	I	92.3	Very high	73.1	Confident	68 Å²	68	92.5 Å²	92.5	35%	0.349	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-38.8	179.3	-52.5	173	0	0	0	109.6	R963 R965 E975	R963-I1037 HydrophobicContact CB-CB 4.33Å; R963-I1037 HydrophobicContact CG-CB 4.31Å; R963-I1037 HydrophobicContact CG-CD1 4.4Å; R963-I1037 PolarHBondContact O-N 2.75Å; R965-I1037 HydrophobicContact CG-CD1 3.61Å; R965-I1037 HydrophobicContact CG-CG1 3.95Å; E975-I1037 HydrophobicContact CB-CD1 4.38Å; E975-I1037 HydrophobicContact CG-CD1 3.79Å; E975-I1037 WeakPolarHBondContact OE1-CD1 3.28Å
1038	E	90.4	Very high	69.9	Low	109 Å²	109	94.9 Å²	94.9	51%	0.509	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	116.4	-177.9	-163.7	-172.3	153.2	0	0	108	S962 R963 G1040	S962-E1038 CarbonylContact C-O 3.55Å; S962-E1038 VanDerWaalsContact CA-O 3.27Å; S962-E1038 WeakPolarHBondContact CA-O 3.42Å; S962-E1038 WeakPolarHBondContact CB-O 3.42Å; R963-E1038 HydrophobicContact CB-CB 3.6Å; R963-E1038 WeakPolarHBondContact CD-OE2 3.38Å; R963-E1038 PolarHBondContact N-O 3.2Å; R963-E1038 IonicContact NH1-OE2 2.63Å; R963-E1038 PolarHBondContact O-N 2.57Å; R963-E1038 VanDerWaalsContact O-N 3.17Å; E1038-G1040 PolarHBondContact O-N 3.3Å
1039	W	89	Confident	66.8	Low	119 Å²	119	101.5 Å²	101.5	45%	0.451	52%	0.524	S	S	.	.			trans	-73.3	124.9	175	-74.5	79.6	0	0	0	109.5	L953 C956 P959 V1036 R1041	L953-W1039 HydrophobicContact CD2-CZ2 4.42Å; C956-W1039 HydrophobicContact CB-CH2 4.15Å; P959-W1039 VanDerWaalsContact CD-CZ3 3.48Å; P959-W1039 HydrophobicContact CG-CE3 3.98Å; P959-W1039 HydrophobicContact CG-CZ3 4.34Å; V1036-W1039 HydrophobicContact CB-CZ2 4.43Å; V1036-W1039 HydrophobicContact CG1-CD2 4.07Å; V1036-W1039 HydrophobicContact CG1-CG 3.88Å; V1036-W1039 HydrophobicContact CG2-CZ2 4.03Å; W1039-R1041 PolarHBondContact O-N 2.71Å
1040	G	79.9	Confident	63.8	Low	15 Å²	15	105.4 Å²	105.4	16%	0.155	55%	0.552	C	S	.	*			trans	-65.2	104.7	176.3	0	0	0	0	0	110	P959 S962 E1038 G1042	P959-G1040 WeakPolarHBondContact CB-O 3.28Å; S962-G1040 PolarHBondContact OG-N 3.03Å; E1038-G1040 PolarHBondContact O-N 3.3Å; G1040-G1042 PolarHBondContact O-N 3.16Å
1041	R	61.9	Low	60.8	Low	239 Å²	239	105.8 Å²	105.8	90%	0.902	56%	0.564	S	S	*	*			trans	-63.3	122.2	177.3	-64.7	-129.2	-72.5	-101.9	8.1	109.7	W1039	W1039-R1041 PolarHBondContact O-N 2.71Å
1042	G	44.8	Very low	57.9	Low	77 Å²	77	102.9 Å²	102.9	79%	0.794	54%	0.543	S	S	*	.			trans	-70.3	141.5	167.6	0	0	0	0	0	110.3	G1040	G1040-G1042 PolarHBondContact O-N 3.16Å
1043	T	40.6	Very low	55.1	Low	124 Å²	124	104.3 Å²	104.3	76%	0.761	56%	0.563	S	S	*	*			trans	-136.7	115.3	164.6	52.6	0	0	0	0	105.8
1044	D	29.5	Very low	51.9	Low	156 Å²	156	110.7 Å²	110.7	83%	0.834	60%	0.597	S	S	*	*			trans	-70.3	167.1	164	-66.7	-60.4	0	0	0	110.1
1045	E	29.7	Very low	49.2	Very low	167 Å²	167	111.1 Å²	111.1	78%	0.78	61%	0.608	S	S	*	*	S	Bend	trans	69.5	146.1	-176.5	-56.8	-49.4	135.2	0	0	119.1
1046	D	28.5	Very low	46.3	Very low	153 Å²	153	115.1 Å²	115.1	82%	0.818	63%	0.633	S	S	*	*	S	Bend	trans	49.6	72.1	169.7	-82.6	-33	0	0	0	119.3
1047	R	25.8	Very low	43.2	Very low	201 Å²	201	120.2 Å²	120.2	76%	0.758	66%	0.658	S	S	*	*				-167.3	110	115.8	-175.8	167.4	177.8	154	-3.6	114
1048	P	26.6	Very low	40.2	Very low	118 Å²	118	123.2 Å²	123.2	77%	0.766	68%	0.679	S	S	*	*			trans	-77.7	129.1	164.8	30.6	-32.3	0	0	0	111.6
1049	Q	27	Very low	37.2	Very low	139 Å²	139	123.8 Å²	123.8	65%	0.65	68%	0.681	S	S	*	*			trans	-145.6	103.1	152.9	-82.2	-164.5	-104.7	0	0	109.8
1050	S	30.2	Very low	34.4	Very low	121 Å²	121	124.6 Å²	124.6	85%	0.846	69%	0.69	S	S	*	*			trans	-149.7	155.8	150.2	-165.3	0	0	0	0	109
1051	C	27.9	Very low	32	Very low	74 Å²	74	129.2 Å²	129.2	50%	0.5	72%	0.717	S	S	.	*			trans	-98.3	130.3	179.7	-53.4	0	0	0	0	109.7
1052	S	30.1	Very low	30.5	Very low	38 Å²	38	124.7 Å²	124.7	27%	0.266	71%	0.706	S	S	.	*				51.3	117.6	120.5	-32.6	0	0	0	0	120.4	D128	D128-S1052 VanDerWaalsContact CG-OG 3.31Å; D128-S1052 VanDerWaalsContact OD2-CB 3.32Å; D128-S1052 WeakPolarHBondContact OD2-CB 3.36Å; D128-S1052 PolarHBondContact OD2-OG 3.18Å
1053	S	32.6	Very low	29.6	Very low	94 Å²	94	129.6 Å²	129.6	66%	0.657	71%	0.705	S	S	*	*				-173.6	130.4	107.5	66	0	0	0	0	116.5	D127	D127-S1053 CarbonylContact O-C 2.81Å; D127-S1053 WeakPolarHBondContact O-CA 3.28Å
1054	L	28.4	Very low	29	Very low	138 Å²	138	128.3 Å²	128.3	72%	0.723	70%	0.702	S	S	*	*			trans	55.6	142	156.5	-61.4	-177.9	0	0	0	124.2	D127	D127-L1054 WeakPolarHBondContact O-CD2 3.48Å; D127-L1054 WeakPolarHBondContact O-CG 3.29Å; D127-L1054 PolarHBondContact O-N 3.17Å
1055	S	33.9	Very low	29.1	Very low	102 Å²	102	126 Å²	126	71%	0.713	69%	0.694	S	S	*	*			trans	-134.1	170.5	170.9	-49.9	0	0	0	0	109.7
1056	P	30	Very low	29.1	Very low	130 Å²	130	124.9 Å²	124.9	84%	0.844	69%	0.692	S	S	*	*			trans	-98.7	165	154.7	35.5	-29.6	0	0	0	112.6
1057	I	28.1	Very low	29.3	Very low	143 Å²	143	125.3 Å²	125.3	73%	0.733	69%	0.687	S	S	*	*			trans	-125.7	138.4	-166.5	-62.8	162.5	0	0	0	111.2
1058	V	28.6	Very low	29.6	Very low	130 Å²	130	121 Å²	121	79%	0.788	68%	0.678	S	S	*	*			trans	-138.1	158.2	145.4	-175.1	0	0	0	0	108.6
1059	H	28.7	Very low	30	Very low	121 Å²	121	122.3 Å²	122.3	56%	0.56	68%	0.675	S	S	*	*			trans	-80.5	160.5	-150.8	-102.6	-118.1	0	0	0	119.8
1060	E	28.7	Very low	30.3	Very low	137 Å²	137	121.4 Å²	121.4	64%	0.64	67%	0.674	S	S	*	*			trans	-73.2	164.1	164.2	-149.6	-159.4	134.7	0	0	111.5	Q1062	E1060-Q1062 PolarHBondContact OE1-N 3.33Å
1061	P	30.8	Very low	30.6	Very low	111 Å²	111	122.4 Å²	122.4	72%	0.721	67%	0.669	S	S	*	*				-148.6	137.2	93.1	36.4	-19	0	0	0	117.2
1062	Q	30.2	Very low	31	Very low	144 Å²	144	125.1 Å²	125.1	67%	0.673	68%	0.683	S	S	*	*			trans	54.2	121.5	131.4	-55.1	-145.3	49.8	0	0	119.6	E1060	E1060-Q1062 PolarHBondContact OE1-N 3.33Å
1063	K	26.7	Very low	31	Very low	180 Å²	180	128.1 Å²	128.1	78%	0.783	70%	0.699	S	S	*	*				59.9	133.4	80.4	-76	174.8	-176.5	167.9	0	113.5
1064	S	27.4	Very low	30.9	Very low	97 Å²	97	131.9 Å²	131.9	68%	0.678	71%	0.706	S	S	*	*			cis	-165.9	173.2	14.7	54.2	0	0	0	0	116.1
1065	T	31.8	Very low	31	Very low	109 Å²	109	130.9 Å²	130.9	67%	0.669	71%	0.711	S	S	*	*			trans	72.5	120.7	140.3	41.3	0	0	0	0	123.9
1066	L	30.1	Very low	30.9	Very low	142 Å²	142	136 Å²	136	74%	0.743	72%	0.72	S	S	*	*			trans	72.5	150.7	135.5	-55.1	167.8	0	0	0	117.9
1067	K	32.3	Very low	30.9	Very low	163 Å²	163	140.6 Å²	140.6	71%	0.709	72%	0.721	S	S	*	*			cis	-158.5	150.6	-4.4	-132.7	171.2	177.2	-179.7	0	112.6
1068	N	31.9	Very low	30.8	Very low	109 Å²	109	141.9 Å²	141.9	58%	0.583	72%	0.724	S	S	*	*			trans	48.8	118.9	139.6	-77.2	27.2	0	0	0	121.9
1069	Q	33.8	Very low	30.8	Very low	147 Å²	147	140.8 Å²	140.8	69%	0.687	72%	0.72	S	S	*	*				83.8	152.9	81.2	-77.1	178	-6	0	0	113.1
1070	N	33.8	Very low	30.8	Very low	120 Å²	120	140.3 Å²	140.3	64%	0.642	72%	0.722	S	S	*	*			cis	-158.8	162.9	4.4	-121.6	-4.2	0	0	0	108.6
1071	I	36.6	Very low	31.1	Very low	142 Å²	142	144.1 Å²	144.1	73%	0.728	73%	0.731	S	S	*	*			cis	-122.5	-61.6	-9.8	-49.9	172.3	0	0	0	108.8
1072	V	35.8	Very low	31.1	Very low	131 Å²	131	143.8 Å²	143.8	79%	0.794	73%	0.731	S	S	*	*			trans	69.9	148.8	177.4	-167.9	0	0	0	0	116
1073	T	31.5	Very low	31.3	Very low	100 Å²	100	145.2 Å²	145.2	61%	0.613	74%	0.742	S	S	*	*			trans	-148.2	171.3	-168.6	47.5	0	0	0	0	109.8
1074	H	29.6	Very low	31.6	Very low	173 Å²	173	137.5 Å²	137.5	80%	0.801	71%	0.714	S	S	*	*			cis	-139.2	146.7	12	-57.8	-106.3	0	0	0	113
1075	S	30.1	Very low	32.1	Very low	118 Å²	118	136 Å²	136	83%	0.825	70%	0.704	S	S	*	*			trans	35.2	105.7	142	-161.9	0	0	0	0	121.7
1076	K	32.8	Very low	32.2	Very low	210 Å²	210	134.9 Å²	134.9	91%	0.913	70%	0.697	S	S	*	*				-158.7	-176.6	129.7	-121.8	171.9	-175.9	174.1	0	112.6
1077	R	29.1	Very low	32.1	Very low	226 Å²	226	134.9 Å²	134.9	85%	0.853	69%	0.693	S	S	*	*			trans	-97.4	138.8	-157.9	-60.8	-178.2	-175.8	156.3	-2.7	115.7
1078	E	27	Very low	32	Very low	170 Å²	170	134.5 Å²	134.5	79%	0.794	70%	0.697	S	S	*	*				67.4	122.6	121	-156.1	159	-144.5	0	0	123
1079	C	28.7	Very low	31.8	Very low	106 Å²	106	135.8 Å²	135.8	72%	0.716	70%	0.704	S	S	*	*			trans	76.1	114.8	150.7	-76.3	0	0	0	0	126.6
1080	D	28.2	Very low	31.6	Very low	112 Å²	112	134.2 Å²	134.2	60%	0.599	70%	0.704	S	S	*	*				73.4	105.2	129.8	-77.2	-55.6	0	0	0	126.8
1081	R	35.5	Very low	31.5	Very low	217 Å²	217	134.4 Å²	134.4	82%	0.819	71%	0.705	S	S	*	*				71.3	125.6	117.9	-74	-180	173	130.2	-12.6	126.8
1082	S	30.8	Very low	31.4	Very low	103 Å²	103	132.4 Å²	132.4	72%	0.72	69%	0.692	S	S	*	*				107.7	124.2	125.1	-76.1	0	0	0	0	125.7
1083	L	33.5	Very low	31.2	Very low	174 Å²	174	132.7 Å²	132.7	91%	0.911	68%	0.683	S	S	*	*			trans	66.6	163.2	147.4	-56.7	179.2	0	0	0	120.9
1084	G	34.3	Very low	31.3	Very low	19 Å²	19	134.4 Å²	134.4	20%	0.196	69%	0.688	C	S	.	*			cis	-135.2	-143.3	4	0	0	0	0	0	115.3	P1631 T1633	G1084-P1631 CarbonylContact C-O 3.59Å; G1084-P1631 VanDerWaalsContact CA-O 3.26Å; G1084-P1631 WeakPolarHBondContact CA-O 3.02Å; G1084-T1633 WeakPolarHBondContact O-CA 3.28Å; G1084-T1633 WeakPolarHBondContact O-CB 3.44Å; G1084-T1633 PolarHBondContact O-N 2.96Å; G1084-T1633 VanDerWaalsContact O-N 3.15Å; G1084-T1633 PolarHBondContact O-OG1 2.72Å
1085	S	37.8	Very low	31.4	Very low	66 Å²	66	132.6 Å²	132.6	46%	0.462	68%	0.678	S	S	.	*			trans	-153.6	114.1	-175.7	-59.1	0	0	0	0	118.8	S1630 P1631 N1632	S1085-S1630 WeakPolarHBondContact O-CB 3.27Å; S1085-S1630 PolarHBondContact O-OG 2.94Å; S1085-P1631 VanDerWaalsContact N-C 3.28Å; S1085-P1631 PolarHBondContact N-O 3.14Å; S1085-N1632 VanDerWaalsContact CA-OD1 3.27Å; S1085-N1632 WeakPolarHBondContact CA-OD1 3.35Å
1086	T	32.9	Very low	31.5	Very low	85 Å²	85	135.4 Å²	135.4	52%	0.521	68%	0.678	S	S	.	*			trans	159.9	159.9	150.7	39.2	0	0	0	0	112.7	P1631 N1632	T1086-P1631 VanDerWaalsContact O-CB 3.22Å; T1086-P1631 WeakPolarHBondContact O-CB 3.02Å; T1086-N1632 VanDerWaalsContact CA-OD1 3.3Å; T1086-N1632 WeakPolarHBondContact CA-OD1 3.27Å; T1086-N1632 PolarHBondContact N-OD1 3.49Å; T1086-N1632 WeakPolarHBondContact O-CB 3.34Å; T1086-N1632 PolarHBondContact O-N 3.31Å
1087	E	28.1	Very low	31.5	Very low	142 Å²	142	130.8 Å²	130.8	66%	0.664	66%	0.663	S	S	*	*				-155.1	173.7	-65.4	-160.6	39.3	-97.9	0	0	112.7	N1632	E1087-N1632 WeakPolarHBondContact CA-ND2 3.2Å; E1087-N1632 PolarHBondContact OE2-ND2 3.28Å
1088	I	30.4	Very low	31.5	Very low	154 Å²	154	127.9 Å²	127.9	79%	0.79	66%	0.656	S	S	*	*			trans	88.9	165.4	162.6	-61.4	176.1	0	0	0	118.9
1089	N	27.2	Very low	31.6	Very low	137 Å²	137	126.8 Å²	126.8	73%	0.733	65%	0.649	S	S	*	*				-171.9	171.5	-81.7	-169.1	16.7	0	0	0	111.8
1090	V	31.1	Very low	31.6	Very low	113 Å²	113	129.9 Å²	129.9	69%	0.685	65%	0.647	S	S	*	*			trans	59.1	143.7	170.4	-96.2	0	0	0	0	119
1091	N	30.3	Very low	31.5	Very low	125 Å²	125	133.3 Å²	133.3	67%	0.668	66%	0.657	S	S	*	*			cis	-142.9	141.5	40.7	-106.1	-18.1	0	0	0	112.2
1092	E	34	Very low	31.2	Very low	99 Å²	99	126.5 Å²	126.5	46%	0.463	65%	0.647	S	S	.	*				66.3	140.8	89.8	-80.4	-162.1	132.6	0	0	114.4	K1095	E1092-K1095 WeakPolarHBondContact OE1-CE 3.42Å; E1092-K1095 IonicContact OE1-NZ 2.68Å; E1092-K1095 PolarHBondContact OE1-NZ 2.78Å
1093	K	32.6	Very low	30.9	Very low	137 Å²	137	126.6 Å²	126.6	60%	0.596	64%	0.643	S	S	*	*			cis	-159	177.2	24.9	-115.9	151.7	-177.1	134.8	0	108.6	K1095	K1093-K1095 HydrophobicContact CG-CD 4.23Å
1094	D	34.1	Very low	30.6	Very low	136 Å²	136	126 Å²	126	73%	0.727	64%	0.635	S	S	*	*			cis	-129.9	164.2	6.3	-77.4	-64.9	0	0	0	109.1
1095	K	31.4	Very low	30.1	Very low	135 Å²	135	132.2 Å²	132.2	59%	0.587	66%	0.664	S	S	*	*			cis	85.3	93.4	23.1	-63	-170.6	-173.2	-178.6	0	117.3	E1092 K1093	E1092-K1095 WeakPolarHBondContact OE1-CE 3.42Å; E1092-K1095 IonicContact OE1-NZ 2.68Å; E1092-K1095 PolarHBondContact OE1-NZ 2.78Å; K1093-K1095 HydrophobicContact CG-CD 4.23Å
1096	E	32.5	Very low	29.9	Very low	178 Å²	178	133.6 Å²	133.6	83%	0.832	68%	0.68	S	S	*	*			trans	-152.2	153.3	140.4	-81.1	-139.1	131.2	0	0	110.3
1097	I	31.5	Very low	29.6	Very low	113 Å²	113	138 Å²	138	58%	0.579	69%	0.694	S	S	*	*			cis	-159.5	131.5	-43	-125.7	168.6	0	0	0	110.3
1098	F	30.8	Very low	29.7	Very low	165 Å²	165	140 Å²	140	72%	0.724	70%	0.704	S	S	*	*			trans	62.9	166.6	154.5	-70.7	-167.1	0	0	0	118.1
1099	K	28.6	Very low	29.7	Very low	146 Å²	146	139.1 Å²	139.1	64%	0.635	70%	0.7	S	S	*	*			cis	-156.7	153.5	-5.8	-128.6	170.7	-178	177.4	0	111.7
1100	Y	27.5	Very low	29.9	Very low	171 Å²	171	140.2 Å²	140.2	67%	0.671	70%	0.701	S	S	*	*			trans	52.3	143.5	143.8	-78.9	-38.6	0	0	0	124.3
1101	F	27.6	Very low	29.6	Very low	185 Å²	185	143.1 Å²	143.1	81%	0.811	71%	0.707	S	S	*	*			trans	59.5	156.2	150.1	-64	-49.4	0	0	0	117.1
1102	A	28.5	Very low	29.4	Very low	73 Å²	73	142.2 Å²	142.2	60%	0.603	71%	0.711	S	S	*	*			cis	-161	-177	-25.2	0	0	0	0	0	108.2
1103	T	24.8	Very low	29.3	Very low	106 Å²	106	144.1 Å²	144.1	65%	0.65	72%	0.723	S	S	*	*			trans	13.9	148.8	144.4	52.5	0	0	0	0	122.6
1104	E	27.1	Very low	29.3	Very low	160 Å²	160	145 Å²	145	75%	0.748	73%	0.729	S	S	*	*			trans	71.8	121.4	153.7	-70.9	142.7	-131	0	0	115.5
1105	D	24	Very low	28.8	Very low	150 Å²	150	143 Å²	143	80%	0.802	73%	0.726	S	S	*	*				87.7	80.7	56.8	-69.5	-40.8	0	0	0	113.1
1106	A	33.8	Very low	29	Very low	96 Å²	96	144.8 Å²	144.8	79%	0.793	74%	0.736	S	S	*	*			trans	-156.7	111	157.1	0	0	0	0	0	104.7
1107	H	25	Very low	29	Very low	176 Å²	176	141.7 Å²	141.7	82%	0.815	73%	0.729	S	S	*	*			cis	61.4	79.6	37.9	-94.2	-71.4	0	0	0	113.3
1108	E	30.6	Very low	29	Very low	185 Å²	185	141.2 Å²	141.2	86%	0.864	73%	0.732	S	S	*	*			trans	-170.3	139.8	152.4	-101.6	-179.1	-141	0	0	105
1109	D	31.7	Very low	29	Very low	135 Å²	135	141.2 Å²	141.2	72%	0.722	73%	0.734	S	S	*	*			cis	-160.6	164.4	-38.8	-105.3	3.5	0	0	0	106.5
1110	E	31.1	Very low	29.3	Very low	160 Å²	160	139.7 Å²	139.7	75%	0.748	74%	0.737	S	S	*	*			cis	-144.8	163.7	10	-121.1	-83.4	-137	0	0	109
1111	E	23.8	Very low	29.2	Very low	174 Å²	174	134.4 Å²	134.4	81%	0.813	73%	0.729	S	S	*	*			trans	-77.2	156.7	171.5	-60.3	-168.2	137.2	0	0	112.1
1112	S	27.5	Very low	29.1	Very low	107 Å²	107	129.3 Å²	129.3	75%	0.748	72%	0.716	S	S	*	*			trans	-156	101.9	153	-130.4	0	0	0	0	116.2
1113	I	31.6	Very low	29.2	Very low	139 Å²	139	130.1 Å²	130.1	71%	0.713	71%	0.711	S	S	*	*				68	111.4	128.6	-65.5	176.4	0	0	0	118.9
1114	H	31.9	Very low	29.3	Very low	154 Å²	154	129.9 Å²	129.9	71%	0.713	71%	0.705	S	S	*	*			trans	75.6	125.5	148.7	-78.2	37.9	0	0	0	118.4
1115	S	24.5	Very low	29.5	Very low	96 Å²	96	129 Å²	129	67%	0.671	70%	0.704	S	S	*	*			cis	84	147.8	49	-64.2	0	0	0	0	113.3
1116	Q	34.9	Very low	29.6	Very low	172 Å²	172	125.5 Å²	125.5	80%	0.804	69%	0.688	S	S	*	*			trans	75.3	131.1	176.7	-58.7	-177	29.9	0	0	115.9
1117	T	32.4	Very low	29.3	Very low	112 Å²	112	126.1 Å²	126.1	69%	0.687	68%	0.682	S	S	*	*			cis	-166.8	175.6	-28.2	3	0	0	0	0	108.1
1118	T	30.6	Very low	29.3	Very low	104 Å²	104	124 Å²	124	64%	0.638	68%	0.682	S	S	*	*			trans	28.5	140.8	144.1	62.7	0	0	0	0	121.1
1119	E	30.9	Very low	29.5	Very low	164 Å²	164	119.2 Å²	119.2	77%	0.766	67%	0.674	S	S	*	*			cis	-172.5	176.7	9.3	-118.4	165.2	-176.3	0	0	111.9
1120	T	34.8	Very low	29.7	Very low	115 Å²	115	117.7 Å²	117.7	71%	0.706	67%	0.672	S	S	*	*			trans	12.5	115.9	156.9	59.6	0	0	0	0	121.4
1121	A	25.5	Very low	29.7	Very low	60 Å²	60	116 Å²	116	50%	0.496	67%	0.666	S	S	.	*				30.7	141.8	110.7	0	0	0	0	0	122.2
1122	S	27.2	Very low	30	Very low	78 Å²	78	110.3 Å²	110.3	55%	0.545	64%	0.643	S	S	.	*			trans	64.2	112.1	148.2	53.8	0	0	0	0	120.8	S5	S5-S1122 WeakPolarHBondContact OG-CA 3.41Å; S5-S1122 PolarHBondContact OG-N 2.89Å
1123	D	29.4	Very low	30.3	Very low	90 Å²	90	110.7 Å²	110.7	48%	0.481	63%	0.629	S	S	.	*				-171.7	117.3	122.5	-107.6	-6.4	0	0	0	109.5	M3 S4	M3-D1123 WeakPolarHBondContact CE-O 3.48Å; S4-D1123 WeakPolarHBondContact CB-O 3.36Å
1124	N	28.3	Very low	30.3	Very low	101 Å²	101	110.7 Å²	110.7	54%	0.54	62%	0.62	S	S	.	*				75.5	82.6	82	-82.4	-45.9	0	0	0	115.3
1125	I	29.8	Very low	30.3	Very low	140 Å²	140	112.6 Å²	112.6	72%	0.718	62%	0.621	S	S	*	*			trans	-106.9	116	146.6	-75.8	170.4	0	0	0	108.7	M3	M3-I1125 HydrophobicContact CE-CD1 4.08Å; M3-I1125 HydrophobicContact CE-CG1 3.68Å; M3-I1125 HydrophobicContact SD-CD1 3.71Å; M3-I1125 HydrophobicContact SD-CG1 3.87Å
1126	T	26.8	Very low	30.7	Very low	77 Å²	77	118.7 Å²	118.7	47%	0.472	63%	0.629	S	S	.	*			trans	-103.6	160.8	158	-61.6	0	0	0	0	107.8
1127	T	28	Very low	30.6	Very low	109 Å²	109	117.1 Å²	117.1	67%	0.669	63%	0.625	S	S	*	*			trans	91.4	134.7	160.5	-18.6	0	0	0	0	117.7
1128	T	25.2	Very low	30.6	Very low	131 Å²	131	119.2 Å²	119.2	80%	0.804	63%	0.629	S	S	*	*			trans	66.3	120.9	150.6	28.2	0	0	0	0	121.6
1129	A	33.4	Very low	30.5	Very low	85 Å²	85	123.1 Å²	123.1	70%	0.702	64%	0.638	S	S	*	*			trans	-52.8	165.7	145.9	0	0	0	0	0	111.3
1130	P	37	Very low	30.3	Very low	104 Å²	104	119.9 Å²	119.9	68%	0.675	63%	0.633	S	S	*	*				-147.2	-177.4	57.7	40.2	-19.9	0	0	0	115.8
1131	I	30.1	Very low	30	Very low	123 Å²	123	119 Å²	119	63%	0.631	63%	0.631	S	S	*	*			trans	65.3	125.4	142	-81.6	162.8	0	0	0	117.4
1132	V	30.8	Very low	30	Very low	55 Å²	55	123.7 Å²	123.7	33%	0.333	65%	0.647	S	S	.	*			cis	173.1	171.9	4.5	64.9	0	0	0	0	110.8	D180	D180-V1132 HydrophobicContact CB-CG2 4.37Å
1133	R	33.8	Very low	30.2	Very low	115 Å²	115	129.2 Å²	129.2	43%	0.434	66%	0.661	S	S	.	*			trans	77.4	141.7	157.6	-69.1	156.6	-148.5	140.1	9.6	115.8	S182 S183	S182-R1133 WeakPolarHBondContact OG-CD 3.16Å; S183-R1133 PolarHBondContact OG-NE 2.85Å; S183-R1133 PolarHBondContact OG-NH1 2.89Å
1134	R	31.1	Very low	30.4	Very low	139 Å²	139	131.4 Å²	131.4	53%	0.525	68%	0.681	S	S	.	*			cis	-153.1	144	7.5	-125.9	167	-170.3	171.4	1.3	113.8	S182 S183	S182-R1134 PolarHBondContact OG-NE 3.13Å; S182-R1134 PolarHBondContact OG-NH2 2.63Å; S183-R1134 PolarHBondContact O-NH2 2.8Å
1135	R	32.1	Very low	30.5	Very low	195 Å²	195	130.1 Å²	130.1	74%	0.736	69%	0.692	S	S	*	*			trans	85.9	128.8	146.4	-76.2	164.7	179.7	170.7	-1	122.6
1136	R	33	Very low	30.6	Very low	223 Å²	223	135 Å²	135	84%	0.842	70%	0.701	S	S	*	*			trans	80.4	128.8	139.2	-80.4	-174.1	173	166.8	-2.3	118.2
1137	L	33.1	Very low	30.7	Very low	140 Å²	140	141.5 Å²	141.5	73%	0.733	72%	0.717	S	S	*	*			cis	-142.9	136.9	2.5	-86	168.8	0	0	0	114.8
1138	M	31.6	Very low	30.8	Very low	156 Å²	156	144.3 Å²	144.3	77%	0.768	73%	0.727	S	S	*	*			trans	39.8	113.1	139.6	-53.2	-47.5	-151.9	0	0	125.3
1139	F	29.4	Very low	31.1	Very low	186 Å²	186	142.8 Å²	142.8	82%	0.816	72%	0.721	S	S	*	*				28.4	117.4	115.9	-77.7	-85	0	0	0	123.8
1140	S	26.8	Very low	31.1	Very low	96 Å²	96	143.4 Å²	143.4	67%	0.671	72%	0.721	S	S	*	*				85.6	160.7	119.8	84.9	0	0	0	0	122.8
1141	S	27.5	Very low	30.9	Very low	95 Å²	95	150.3 Å²	150.3	66%	0.664	73%	0.733	S	S	*	*			trans	73.9	111.1	154.7	-56.1	0	0	0	0	116.7
1142	L	27	Very low	31	Very low	159 Å²	159	152.9 Å²	152.9	83%	0.832	74%	0.74	S	S	*	*				84	127.7	76.2	-80.7	167.8	0	0	0	114.7
1143	K	31	Very low	31.1	Very low	194 Å²	194	158 Å²	158	84%	0.843	77%	0.765	S	S	*	*			trans	65.9	120.4	165.4	-61.8	-177.5	177.8	-177.5	0	118.4
1144	P	33.5	Very low	31	Very low	137 Å²	137	156.6 Å²	156.6	89%	0.89	77%	0.772	S	S	*	*			trans	-91.3	148.4	165.1	36	-32	0	0	0	112.4
1145	G	30.6	Very low	31.2	Very low	74 Å²	74	157.9 Å²	157.9	76%	0.763	79%	0.788	S	S	*	*			trans	169.7	115.8	169.9	0	0	0	0	0	115.8
1146	R	32	Very low	31.2	Very low	243 Å²	243	153.5 Å²	153.5	92%	0.917	79%	0.787	S	S	*	*			trans	22.9	110.5	155.7	-53.7	-178.8	-176.8	-157.3	-1.1	117.6
1147	R	28.5	Very low	31.2	Very low	213 Å²	213	152.4 Å²	152.4	80%	0.804	79%	0.788	S	S	*	*				49.3	114.6	75.7	-79.7	-166.8	173.1	-172	-0.9	115.9
1148	L	30.4	Very low	31	Very low	167 Å²	167	157 Å²	157	87%	0.874	80%	0.796	S	S	*	*				-163.5	128.9	129.1	-97.5	168.6	0	0	0	107.1
1149	S	30.9	Very low	31.7	Very low	99 Å²	99	156.6 Å²	156.6	69%	0.692	80%	0.797	S	S	*	*				69.4	130.2	104.9	-172.4	0	0	0	0	114.8
1150	S	32.7	Very low	31.6	Very low	99 Å²	99	155.6 Å²	155.6	69%	0.692	80%	0.795	S	S	*	*			cis	-158.3	172	-7.8	-82.7	0	0	0	0	107.5
1151	R	34.1	Very low	31.7	Very low	248 Å²	248	159.8 Å²	159.8	94%	0.936	80%	0.801	S	S	*	*			cis	-152.9	173.1	39.5	-70.6	176.9	169.2	169.9	-3.8	112.3
1152	K	31.5	Very low	31.7	Very low	177 Å²	177	160 Å²	160	77%	0.77	80%	0.801	S	S	*	*			trans	-97.7	-174.4	173.8	-89.8	178.1	176.3	169.9	0	112.7
1153	L	33	Very low	31.8	Very low	164 Å²	164	156.7 Å²	156.7	86%	0.859	79%	0.792	S	S	*	*			trans	94.4	140.4	169.7	-55.1	171.9	0	0	0	114.9
1154	S	30.8	Very low	31.8	Very low	85 Å²	85	157 Å²	157	59%	0.594	79%	0.793	S	S	*	*			cis	-177.6	158.9	-17.6	50.8	0	0	0	0	110
1155	I	36.5	Very low	31.7	Very low	166 Å²	166	159.4 Å²	159.4	85%	0.851	79%	0.789	S	S	*	*			trans	69.2	151.7	162.4	-63	157.8	0	0	0	114.8
1156	S	30.5	Very low	31.8	Very low	102 Å²	102	160.8 Å²	160.8	71%	0.713	78%	0.783	S	S	*	*			cis	-171.2	170.6	-32.2	-173.7	0	0	0	0	109.1
1157	K	34	Very low	32.1	Very low	200 Å²	200	154.3 Å²	154.3	87%	0.87	77%	0.773	S	S	*	*			trans	76.8	149.7	174	-67.5	-170.7	175.9	-175.9	0	119.2
1158	R	29.1	Very low	32.6	Very low	238 Å²	238	154 Å²	154	90%	0.898	78%	0.777	S	S	*	*	S	Bend	trans	-54.3	149.2	172.8	-71.1	174.2	173	119.2	-7.3	112.3
1159	N	46.6	Very low	32.6	Very low	147 Å²	147	153.4 Å²	153.4	79%	0.786	77%	0.774	S	S	*	*	S	Bend	cis	-142.2	19.2	-20.3	-148	38.8	0	0	0	110.4
1160	E	27.8	Very low	32.9	Very low	165 Å²	165	153.6 Å²	153.6	77%	0.771	77%	0.773	S	S	*	*			trans	-162.6	175.4	-145.3	-64.4	-171.7	114.8	0	0	110.3
1161	F	27.5	Very low	33	Very low	184 Å²	184	155.4 Å²	155.4	81%	0.807	77%	0.774	S	S	*	*			trans	54.9	84.3	155.1	-94	-94.2	0	0	0	119.9
1162	C	28	Very low	33.2	Very low	98 Å²	98	151.3 Å²	151.3	66%	0.662	77%	0.77	S	S	*	*				52.2	139.3	96.6	-156	0	0	0	0	120.6
1163	S	30.1	Very low	33.4	Very low	90 Å²	90	147.4 Å²	147.4	63%	0.629	77%	0.771	S	S	*	*			trans	73.6	145.8	144.7	-80.5	0	0	0	0	123.1
1164	K	29.9	Very low	33.2	Very low	200 Å²	200	145.4 Å²	145.4	87%	0.87	77%	0.77	S	S	*	*	S	Bend	trans	-173.7	133.8	139.8	-94.5	141.7	-173.6	170.9	0	106.6
1165	K	31.2	Very low	33.1	Very low	188 Å²	188	144.7 Å²	144.7	82%	0.817	78%	0.777	S	S	*	*			cis	-125.2	153.7	-5.8	-72	-175.2	175.2	-178.7	0	107.9
1166	T	32.9	Very low	32.7	Very low	104 Å²	104	142.3 Å²	142.3	64%	0.638	77%	0.774	S	S	*	*			cis	74.9	144.9	26.9	74.7	0	0	0	0	115.5
1167	P	38	Very low	32.4	Very low	107 Å²	107	145.8 Å²	145.8	70%	0.695	78%	0.783	S	S	*	*			cis	-137.4	171.9	-3.4	40.4	-23	0	0	0	115.8
1168	K	39.9	Very low	32.3	Very low	205 Å²	205	141.5 Å²	141.5	89%	0.891	78%	0.778	S	S	*	*				-177.6	115.3	119	-100.6	175.7	-178.5	-176.5	0	114.3
1169	L	29.2	Very low	32.3	Very low	155 Å²	155	139.1 Å²	139.1	81%	0.812	78%	0.775	S	S	*	*			trans	-46.5	179	150.7	-57.4	156.6	0	0	0	114.1
1170	P	38.4	Very low	31.5	Very low	103 Å²	103	137 Å²	137	67%	0.669	77%	0.769	S	S	*	*			cis	-124.4	-172.5	-35.5	23.5	0.8	0	0	0	109.9
1171	L	34.9	Very low	31.6	Very low	138 Å²	138	139.4 Å²	139.4	72%	0.723	77%	0.772	S	S	*	*				179.2	150.6	66.8	-89.6	174	0	0	0	111.5
1172	L	36.7	Very low	31.5	Very low	162 Å²	162	135.6 Å²	135.6	85%	0.848	77%	0.768	S	S	*	*			trans	60.5	143.5	149.5	-61.8	166.8	0	0	0	119.2
1173	A	35.8	Very low	31.7	Very low	95 Å²	95	136.1 Å²	136.1	79%	0.785	77%	0.773	S	S	*	*			cis	-135.3	158	-5	0	0	0	0	0	110.6
1174	S	28.6	Very low	31.8	Very low	121 Å²	121	137.9 Å²	137.9	85%	0.846	78%	0.78	S	S	*	*			trans	-141.5	137.1	-165.7	57.1	0	0	0	0	113.9
1175	G	30.1	Very low	31.7	Very low	71 Å²	71	133.2 Å²	133.2	73%	0.732	77%	0.773	S	S	*	*			trans	82.6	-179.8	158.8	0	0	0	0	0	116.2
1176	C	27.9	Very low	31.7	Very low	116 Å²	116	133.5 Å²	133.5	78%	0.784	77%	0.774	S	S	*	*			cis	-164.9	161.2	-7.3	-123.1	0	0	0	0	110.8
1177	L	24.9	Very low	31.5	Very low	174 Å²	174	135.3 Å²	135.3	91%	0.911	78%	0.78	S	S	*	*			trans	68.9	160.2	170.9	-56.6	154.4	0	0	0	113.5
1178	S	31	Very low	31.1	Very low	110 Å²	110	134.9 Å²	134.9	77%	0.769	78%	0.779	S	S	*	*			cis	-138.2	174	17.1	62.4	0	0	0	0	115.4
1179	K	28.4	Very low	30.5	Very low	189 Å²	189	132.3 Å²	132.3	82%	0.822	78%	0.775	S	S	*	*			trans	-51	164.7	158.6	-68.9	179.6	179.5	-179.2	0	111.2
1180	P	31.2	Very low	30.3	Very low	103 Å²	103	133 Å²	133	67%	0.669	78%	0.78	S	S	*	*			cis	-151.3	-166.3	32.7	46.9	-26.5	0	0	0	118.1
1181	Y	29.9	Very low	29.7	Very low	214 Å²	214	135.2 Å²	135.2	84%	0.839	79%	0.786	S	S	*	*			trans	52.3	127.6	153.5	-71.6	-62.5	0	0	0	122.8
1182	S	24	Very low	29.2	Very low	104 Å²	104	133.3 Å²	133.3	73%	0.727	78%	0.784	S	S	*	*			trans	-39.5	143.1	157.7	49.9	0	0	0	0	117.4
1183	S	32.3	Very low	28.6	Very low	109 Å²	109	131.9 Å²	131.9	76%	0.762	78%	0.777	S	S	*	*			trans	-161.1	134.3	131.7	1	0	0	0	0	112.1
1184	V	32.6	Very low	28.2	Very low	127 Å²	127	132.2 Å²	132.2	77%	0.77	77%	0.77	S	S	*	*			trans	55.7	105.7	140.7	-179.6	0	0	0	0	116.8
1185	S	27.4	Very low	28.1	Very low	103 Å²	103	133.6 Å²	133.6	72%	0.72	76%	0.763	S	S	*	*				58.8	142.6	66	-48.5	0	0	0	0	113.1
1186	K	31.2	Very low	28.1	Very low	193 Å²	193	137.7 Å²	137.7	84%	0.839	76%	0.761	S	S	*	*			cis	-130.2	156	16.8	-61.9	165.9	-174.5	171.8	0	108.2
1187	D	29.6	Very low	28.2	Very low	142 Å²	142	140.5 Å²	140.5	76%	0.759	76%	0.759	S	S	*	*			cis	73.8	103.5	47.3	-77.4	-41.3	0	0	0	116.8
1188	S	28.4	Very low	28.4	Very low	98 Å²	98	137.5 Å²	137.5	69%	0.685	74%	0.744	S	S	*	*			trans	58.8	124.3	145.8	66.5	0	0	0	0	122.8
1189	N	27.7	Very low	28.5	Very low	152 Å²	152	139.5 Å²	139.5	81%	0.813	74%	0.741	S	S	*	*			trans	66.4	141.2	145.3	-68	-7	0	0	0	121.1
1190	N	25.7	Very low	28.9	Very low	169 Å²	169	136.5 Å²	136.5	90%	0.904	73%	0.734	S	S	*	*			trans	68.1	173.9	164.5	-80.7	4.5	0	0	0	118.1
1191	N	25.2	Very low	28.9	Very low	150 Å²	150	136.4 Å²	136.4	80%	0.802	73%	0.732	S	S	*	*			trans	-52	157.3	-170	-92.6	-9.6	0	0	0	116.3
1192	S	25.1	Very low	29.1	Very low	97 Å²	97	133.1 Å²	133.1	68%	0.678	73%	0.728	S	S	*	*			trans	74.8	153.2	142.9	72.5	0	0	0	0	118.9
1193	N	24	Very low	29.6	Very low	132 Å²	132	132.9 Å²	132.9	71%	0.706	73%	0.733	S	S	*	*			trans	61.2	91.6	148.8	-64	8.6	0	0	0	117
1194	T	27.8	Very low	29.7	Very low	103 Å²	103	131.4 Å²	131.4	63%	0.632	74%	0.735	S	S	*	*				77.7	138	69.7	62.4	0	0	0	0	113.1
1195	E	26	Very low	29.6	Very low	150 Å²	150	130.5 Å²	130.5	70%	0.701	73%	0.734	S	S	*	*			trans	64.8	163.2	155	-68.4	171.2	167.2	0	0	116.3
1196	K	30	Very low	30.1	Very low	157 Å²	157	134.6 Å²	134.6	68%	0.683	74%	0.739	S	S	*	*			cis	-123.1	168.1	-10.7	-113.6	128.7	-171.4	155.8	0	105.9
1197	K	29.7	Very low	30.2	Very low	174 Å²	174	132.8 Å²	132.8	76%	0.757	73%	0.731	S	S	*	*			cis	-146.2	137	37.5	-125.3	172	167	-173.5	0	107.6
1198	L	30.3	Very low	30.4	Very low	111 Å²	111	132.7 Å²	132.7	58%	0.581	73%	0.73	S	S	*	*				53.6	132.8	104.1	-57.3	-174.7	0	0	0	113.8
1199	E	31.6	Very low	30.6	Very low	152 Å²	152	136.2 Å²	136.2	71%	0.71	73%	0.733	S	S	*	*			cis	-150.8	160.5	4.4	-101.5	134.7	179.1	0	0	106.5
1200	D	36.8	Very low	31	Very low	127 Å²	127	134.3 Å²	134.3	68%	0.679	73%	0.727	S	S	*	*			cis	-152.7	177.6	16.1	-142.9	-46.2	0	0	0	112.2
1201	T	31.3	Very low	31.4	Very low	101 Å²	101	132 Å²	132	62%	0.62	72%	0.719	S	S	*	*			trans	-34.8	147.2	156.8	58.4	0	0	0	0	113.8
1202	N	33.9	Very low	31.7	Very low	144 Å²	144	129.4 Å²	129.4	77%	0.77	71%	0.713	S	S	*	*				-179.7	168.1	66.4	-116.2	-56.2	0	0	0	112.4
1203	A	35.3	Very low	32.1	Very low	99 Å²	99	130.5 Å²	130.5	82%	0.818	72%	0.72	S	S	*	*			trans	32.8	134.3	152.5	0	0	0	0	0	122.2
1204	G	34.5	Very low	32.5	Very low	78 Å²	78	127.4 Å²	127.4	80%	0.804	72%	0.72	S	S	*	*			trans	-171.1	30.9	177.8	0	0	0	0	0	118.6	K1206	G1204-K1206 PolarHBondContact O-N 2.81Å
1205	S	31	Very low	32.7	Very low	108 Å²	108	128 Å²	128	76%	0.755	73%	0.727	S	S	*	*			trans	-55.1	130.4	-176.9	-44.1	0	0	0	0	114.9
1206	K	37.3	Very low	33.1	Very low	190 Å²	190	127.7 Å²	127.7	83%	0.826	72%	0.723	S	S	*	*				165.9	128.2	122.5	-87.1	150.3	-168.1	171.9	0	115.2	G1204	G1204-K1206 PolarHBondContact O-N 2.81Å
1207	K	33.6	Very low	33.2	Very low	154 Å²	154	122.9 Å²	122.9	67%	0.67	71%	0.707	S	S	*	*				40.8	119.3	111.6	-116.8	171.6	-174.4	171.1	0	115.6
1208	L	34.1	Very low	33.7	Very low	141 Å²	141	119 Å²	119	74%	0.738	69%	0.69	S	S	*	*				-171.9	147.5	69.7	-90.3	164.1	0	0	0	115.5
1209	K	33.1	Very low	33.8	Very low	172 Å²	172	116.1 Å²	116.1	75%	0.748	67%	0.674	S	S	*	*			trans	68.8	113.4	138.1	-85.2	-170.2	173.2	-174	0	124.2
1210	T	35.3	Very low	33.9	Very low	111 Å²	111	114.6 Å²	114.6	68%	0.681	67%	0.67	S	S	*	*				64.1	142.1	121.2	62.5	0	0	0	0	121.1
1211	T	34.4	Very low	33.5	Very low	122 Å²	122	112.2 Å²	112.2	75%	0.748	66%	0.663	S	S	*	*			cis	-157.4	151.5	-6.2	8.1	0	0	0	0	112.7
1212	S	31.7	Very low	33.7	Very low	95 Å²	95	114.3 Å²	114.3	66%	0.664	67%	0.669	S	S	*	*			trans	-10.7	129	152.6	57.2	0	0	0	0	120.8
1213	S	33.6	Very low	33.6	Very low	120 Å²	120	115 Å²	115	84%	0.839	67%	0.672	S	S	*	*				47.7	139.6	129.7	67.7	0	0	0	0	121.9
1214	G	32.2	Very low	33.4	Very low	67 Å²	67	117.7 Å²	117.7	69%	0.691	67%	0.672	S	S	*	*			cis	157	-166.5	0.6	0	0	0	0	0	111.4
1215	C	32.1	Very low	33.2	Very low	115 Å²	115	125.6 Å²	125.6	78%	0.777	68%	0.678	S	S	*	*			trans	41.9	129.5	150.3	-77.4	0	0	0	0	120.2
1216	K	33.1	Very low	33.2	Very low	144 Å²	144	123.6 Å²	123.6	63%	0.626	67%	0.674	S	S	*	*			cis	-174.8	132.2	31.6	-105.4	150.8	-172.9	169.5	0	112.8	A104	A104-K1216 HydrophobicContact CB-CD 4.17Å
1217	T	32.3	Very low	33.1	Very low	56 Å²	56	126 Å²	126	34%	0.344	68%	0.678	S	S	.	*			trans	35.7	113.2	134	52.5	0	0	0	0	124.2	E102 T103	E102-T1217 WeakPolarHBondContact O-CB 3.18Å; E102-T1217 PolarHBondContact O-OG1 3.33Å; T103-T1217 WeakPolarHBondContact CG2-O 3.29Å
1218	K	39.7	Very low	33	Very low	92 Å²	92	125.6 Å²	125.6	40%	0.4	68%	0.682	S	S	.	*				78.6	119.5	105.4	-76.5	-170.1	166.4	-174.7	0	125.3	E102 E191	E102-K1218 HydrophobicContact CB-CB 4.07Å; E102-K1218 HydrophobicContact CB-CD 4.38Å; E102-K1218 HydrophobicContact CG-CD 4.41Å; E102-K1218 WeakPolarHBondContact OE1-CD 3.29Å; E102-K1218 IonicContact OE1-NZ 2.68Å; E102-K1218 PolarHBondContact OE1-NZ 2.99Å; E191-K1218 WeakPolarHBondContact OE1-CA 3.45Å; E191-K1218 WeakPolarHBondContact OE1-CG 3.29Å; E191-K1218 PolarHBondContact OE1-N 2.8Å; E191-K1218 VanDerWaalsContact OE1-N 3.15Å; E191-K1218 PolarHBondContact OE2-N 3.46Å
1219	Q	32.5	Very low	32.8	Very low	51 Å²	51	123.4 Å²	123.4	24%	0.238	68%	0.678	C	S	.	*			trans	-171.9	146.6	150.1	-93.1	-172.4	64.9	0	0	107.4	E191 I192	E191-Q1219 CarbonylContact C-O 3.18Å; E191-Q1219 VanDerWaalsContact CA-O 3.27Å; E191-Q1219 WeakPolarHBondContact CA-O 3.45Å; E191-Q1219 VanDerWaalsContact CG-N 3.35Å; E191-Q1219 WeakPolarHBondContact CG-O 3.48Å; I192-Q1219 HydrophobicContact CB-CB 3.97Å; I192-Q1219 HydrophobicContact CG1-CB 4.37Å; I192-Q1219 HydrophobicContact CG2-CB 3.44Å; I192-Q1219 VanDerWaalsContact CG2-CB 3.44Å; I192-Q1219 VanDerWaalsContact CG2-CD 3.49Å; I192-Q1219 HydrophobicContact CG2-CG 3.87Å; I192-Q1219 VanDerWaalsContact CG2-NE2 3.34Å; I192-Q1219 PolarHBondContact N-O 3.46Å
1220	L	33.5	Very low	32.7	Very low	120 Å²	120	123.6 Å²	123.6	63%	0.628	68%	0.679	S	S	*	*				54.9	134.2	76	-54.4	179.9	0	0	0	113.6	I192	I192-L1220 CarbonylContact C-O 3.33Å; I192-L1220 WeakPolarHBondContact CA-O 3.34Å; I192-L1220 PolarHBondContact N-O 2.9Å; I192-L1220 VanDerWaalsContact N-O 3.14Å
1221	S	29.9	Very low	32.8	Very low	76 Å²	76	127.9 Å²	127.9	53%	0.531	69%	0.688	S	S	.	*			cis	-161.9	158.1	1.9	62.8	0	0	0	0	116.7
1222	I	34.1	Very low	32.5	Very low	145 Å²	145	129.3 Å²	129.3	74%	0.744	69%	0.69	S	S	*	*			trans	38.4	112.3	140.8	-54.8	159.7	0	0	0	118.9
1223	N	32.4	Very low	32.5	Very low	159 Å²	159	133.8 Å²	133.8	85%	0.85	70%	0.697	S	S	*	*				-158	160.3	117.4	-113.4	-56.1	0	0	0	113.9
1224	L	31.6	Very low	32.8	Very low	155 Å²	155	133.2 Å²	133.2	81%	0.812	69%	0.69	S	S	*	*			trans	-141.4	151	-171	-97.5	166.5	0	0	0	112.3
1225	R	30.2	Very low	32.6	Very low	245 Å²	245	134.7 Å²	134.7	93%	0.925	68%	0.682	S	S	*	*			trans	76.8	134.3	-169.9	-50	167.9	175.1	-168.4	-1.4	112.5
1226	G	31.1	Very low	32.6	Very low	66 Å²	66	136.4 Å²	136.4	68%	0.68	68%	0.676	S	S	*	*			cis	114.5	155.4	-8.6	0	0	0	0	0	114.8
1227	R	34.5	Very low	32.7	Very low	241 Å²	241	141.6 Å²	141.6	91%	0.909	69%	0.692	S	S	*	*			trans	75.5	146.2	-160.7	-61	-172	169.6	175.3	-3.7	114
1228	I	30.9	Very low	32.7	Very low	144 Å²	144	143.6 Å²	143.6	74%	0.738	71%	0.705	S	S	*	*			cis	-175.9	151.7	-37.8	-114.1	164.5	0	0	0	105.8
1229	S	31.1	Very low	32.2	Very low	95 Å²	95	143 Å²	143	66%	0.664	70%	0.704	S	S	*	*			trans	71	151.4	171	-68.6	0	0	0	0	117.3
1230	K	30.1	Very low	32.1	Very low	177 Å²	177	143.8 Å²	143.8	77%	0.77	72%	0.715	S	S	*	*			cis	165.3	123.9	-31.1	-105.5	165.2	-175	179	0	106.6
1231	K	37.2	Very low	32.1	Very low	200 Å²	200	144 Å²	144	87%	0.87	72%	0.717	S	S	*	*			trans	150.5	114.3	158.8	-87.4	159.3	-178.6	-175.6	0	106.3
1232	I	28	Very low	32.3	Very low	152 Å²	152	148.1 Å²	148.1	78%	0.779	73%	0.732	S	S	*	*			cis	84.3	128.7	35.7	-53.4	167.9	0	0	0	112.6
1233	K	32	Very low	32.2	Very low	189 Å²	189	146.2 Å²	146.2	82%	0.822	73%	0.732	S	S	*	*			trans	88.9	148.9	-167.8	-62.6	-171.4	175.5	-173.1	0	113.7
1234	P	39.9	Very low	32.2	Very low	108 Å²	108	146.7 Å²	146.7	70%	0.701	73%	0.732	S	S	*	*			cis	-85.8	0	0.3	34.2	-33.2	0	0	0	129	H1239	P1234-H1239 WeakPolarHBondContact CA-CD2 3.35Å; P1234-H1239 WeakPolarHBondContact CA-CE1 3.34Å; P1234-H1239 WeakPolarHBondContact CA-NE2 3.27Å; P1234-H1239 WeakPolarHBondContact CB-CD2 3.4Å; P1234-H1239 WeakPolarHBondContact CB-NE2 3.34Å; P1234-H1239 WeakPolarHBondContact CD-NE2 3.14Å; P1234-H1239 VanDerWaalsContact CG-CD2 3.46Å; P1234-H1239 WeakPolarHBondContact CG-CD2 3.17Å; P1234-H1239 WeakPolarHBondContact CG-NE2 3.47Å; P1234-H1239 VanDerWaalsContact N-CE1 3.32Å; P1234-H1239 WeakPolarHBondContact O-CB 3.15Å; P1234-H1239 PolarHBondContact O-CD2 3.44Å; P1234-H1239 PolarHBondContact O-CE1 2.8Å; P1234-H1239 PolarHBondContact O-ND1 3Å; P1234-H1239 PolarHBondContact O-NE2 3.03Å
1235	I	29.1	Very low	32.3	Very low	98 Å²	98	143.5 Å²	143.5	50%	0.503	73%	0.729	S	S	.	*				0	61.5	0	-58.3	154.8	0	0	0	114.5	P1238 H1239	I1235-P1238 CarbonylContact C-O 3.54Å; I1235-P1238 CarbonylContact O-C 3.55Å; I1235-P1238 WeakPolarHBondContact O-CA 3.44Å; I1235-H1239 WeakPolarHBondContact CA-CD2 3.36Å; I1235-H1239 VanDerWaalsContact CA-CE1 3.47Å; I1235-H1239 WeakPolarHBondContact CA-CE1 3.11Å; I1235-H1239 WeakPolarHBondContact CA-ND1 3.48Å; I1235-H1239 HydrophobicContact CB-CB 4.23Å; I1235-H1239 VanDerWaalsContact CB-CG 3.46Å; I1235-H1239 WeakPolarHBondContact CB-ND1 3.29Å; I1235-H1239 WeakPolarHBondContact CG1-ND1 3.48Å; I1235-H1239 PolarHBondContact N-CD2 2.81Å; I1235-H1239 PolarHBondContact N-CE1 2.66Å; I1235-H1239 PolarHBondContact N-ND1 2.85Å; I1235-H1239 PolarHBondContact N-NE2 2.83Å; I1235-H1239 WeakPolarHBondContact O-CA 3.31Å; I1235-H1239 PolarHBondContact O-N 3.1Å
1236	K	32	Very low	32.6	Very low	152 Å²	152	136.6 Å²	136.6	66%	0.661	72%	0.718	S	S	*	*			trans	87	-160.9	174.7	-35.5	138.4	-167.6	171.6	0	112.8	P1238 H1239	K1236-P1238 CarbonylContact C-O 3.54Å; K1236-P1238 WeakPolarHBondContact CA-O 3.44Å; K1236-H1239 PolarHBondContact N-CD2 2.86Å; K1236-H1239 PolarHBondContact O-CD2 3.33Å
1237	R	34.6	Very low	32.6	Very low	253 Å²	253	140.6 Å²	140.6	96%	0.955	72%	0.724	S	S	*	*	S	Bend		-99.1	115.7	116.5	-113.4	-173.7	176.6	-179.9	-1	105.4
1238	P	33	Very low	32.4	Very low	97 Å²	97	135.3 Å²	135.3	63%	0.63	72%	0.718	S	S	*	*	S	Bend	cis	8.1	172.9	-26.9	43.8	-32	0	0	0	125.3	I1235 K1236	I1235-P1238 CarbonylContact C-O 3.54Å; I1235-P1238 CarbonylContact O-C 3.55Å; I1235-P1238 WeakPolarHBondContact O-CA 3.44Å; K1236-P1238 CarbonylContact C-O 3.54Å; K1236-P1238 WeakPolarHBondContact CA-O 3.44Å
1239	H	28.3	Very low	32.5	Very low	80 Å²	80	137.3 Å²	137.3	37%	0.37	72%	0.721	S	S	.	*			trans	-165	134.2	130.1	-129.8	-73.4	0	0	0	105.9	P1234 I1235 K1236	P1234-H1239 WeakPolarHBondContact CA-CD2 3.35Å; P1234-H1239 WeakPolarHBondContact CA-CE1 3.34Å; P1234-H1239 WeakPolarHBondContact CA-NE2 3.27Å; P1234-H1239 WeakPolarHBondContact CB-CD2 3.4Å; P1234-H1239 WeakPolarHBondContact CB-NE2 3.34Å; P1234-H1239 WeakPolarHBondContact CD-NE2 3.14Å; P1234-H1239 VanDerWaalsContact CG-CD2 3.46Å; P1234-H1239 WeakPolarHBondContact CG-CD2 3.17Å; P1234-H1239 WeakPolarHBondContact CG-NE2 3.47Å; P1234-H1239 VanDerWaalsContact N-CE1 3.32Å; P1234-H1239 WeakPolarHBondContact O-CB 3.15Å; P1234-H1239 PolarHBondContact O-CD2 3.44Å; P1234-H1239 PolarHBondContact O-CE1 2.8Å; P1234-H1239 PolarHBondContact O-ND1 3Å; P1234-H1239 PolarHBondContact O-NE2 3.03Å; I1235-H1239 WeakPolarHBondContact CA-CD2 3.36Å; I1235-H1239 VanDerWaalsContact CA-CE1 3.47Å; I1235-H1239 WeakPolarHBondContact CA-CE1 3.11Å; I1235-H1239 WeakPolarHBondContact CA-ND1 3.48Å; I1235-H1239 HydrophobicContact CB-CB 4.23Å; I1235-H1239 VanDerWaalsContact CB-CG 3.46Å; I1235-H1239 WeakPolarHBondContact CB-ND1 3.29Å; I1235-H1239 WeakPolarHBondContact CG1-ND1 3.48Å; I1235-H1239 PolarHBondContact N-CD2 2.81Å; I1235-H1239 PolarHBondContact N-CE1 2.66Å; I1235-H1239 PolarHBondContact N-ND1 2.85Å; I1235-H1239 PolarHBondContact N-NE2 2.83Å; I1235-H1239 WeakPolarHBondContact O-CA 3.31Å; I1235-H1239 PolarHBondContact O-N 3.1Å; K1236-H1239 PolarHBondContact N-CD2 2.86Å; K1236-H1239 PolarHBondContact O-CD2 3.33Å
1240	S	30.2	Very low	32.4	Very low	68 Å²	68	137.8 Å²	137.8	48%	0.476	73%	0.725	S	S	.	*	S	Bend	trans	69.4	168.7	-160.7	80.4	0	0	0	0	115.7
1241	N	34.3	Very low	32.4	Very low	125 Å²	125	136.7 Å²	136.7	67%	0.668	73%	0.733	S	S	*	*			trans	64.6	118.3	171.5	-52.4	-18	0	0	0	115.7
1242	L	33.5	Very low	32.2	Very low	162 Å²	162	132.7 Å²	132.7	85%	0.848	73%	0.731	S	S	*	*				73.9	125.5	67.8	-89.1	83.8	0	0	0	113.9
1243	S	32.3	Very low	32.3	Very low	105 Å²	105	130.6 Å²	130.6	73%	0.734	73%	0.729	S	S	*	*			trans	62.4	121.1	170.6	-74.5	0	0	0	0	120.8
1244	I	33.5	Very low	32.6	Very low	168 Å²	168	126.8 Å²	126.8	86%	0.862	72%	0.724	S	S	*	*			trans	77	153.5	142.7	-58.8	166.3	0	0	0	116.8
1245	A	32.1	Very low	32.2	Very low	89 Å²	89	129.5 Å²	129.5	74%	0.736	73%	0.733	S	S	*	*			trans	-70.4	166.4	-178.1	0	0	0	0	0	111.9
1246	S	36.4	Very low	32.3	Very low	100 Å²	100	136.5 Å²	136.5	70%	0.699	75%	0.752	S	S	*	*			cis	-158.8	165.7	35.2	50.4	0	0	0	0	115.9
1247	D	31.6	Very low	32.3	Very low	150 Å²	150	135.1 Å²	135.1	80%	0.802	76%	0.762	S	S	*	*			trans	60.8	127	146.9	-60	-16.4	0	0	0	125.5
1248	V	31.5	Very low	32.3	Very low	130 Å²	130	128.7 Å²	128.7	79%	0.788	76%	0.756	S	S	*	*			trans	77.6	98.5	147.4	-178.8	0	0	0	0	122.2
1249	F	32.7	Very low	32.3	Very low	185 Å²	185	131 Å²	131	81%	0.811	77%	0.768	S	S	*	*			trans	48	109.1	138.3	-73.4	-86.4	0	0	0	125.9
1250	S	29.4	Very low	32.5	Very low	105 Å²	105	136.3 Å²	136.3	73%	0.734	79%	0.79	S	S	*	*				60.6	122.3	124.6	-59.7	0	0	0	0	125.4
1251	T	29.8	Very low	32.6	Very low	155 Å²	155	141.1 Å²	141.1	95%	0.951	81%	0.809	S	S	*	*			trans	-152.3	-175.3	153.8	39.1	0	0	0	0	112.4
1252	S	32.4	Very low	32.6	Very low	116 Å²	116	140.4 Å²	140.4	81%	0.811	81%	0.814	S	S	*	*			trans	-122.3	-162.1	-153	60.9	0	0	0	0	117.6
1253	S	29.9	Very low	32.6	Very low	107 Å²	107	136.8 Å²	136.8	75%	0.748	81%	0.807	S	S	*	*			trans	-121.1	-175.6	175.8	-55.5	0	0	0	0	110
1254	P	38.8	Very low	32.8	Very low	109 Å²	109	141.1 Å²	141.1	71%	0.708	81%	0.813	S	S	*	*			cis	-142.1	-162.9	2.9	44.7	-24.5	0	0	0	116.5
1255	N	31.4	Very low	33	Very low	166 Å²	166	137.5 Å²	137.5	89%	0.888	80%	0.803	S	S	*	*			trans	77	159.4	153.8	-76.4	-3.9	0	0	0	122.9
1256	R	30.9	Very low	33.3	Very low	244 Å²	244	141.8 Å²	141.8	92%	0.921	81%	0.805	S	S	*	*			trans	-147.5	118	-168.3	175.6	-157.8	-173.2	-159.6	4.4	112.2
1257	S	31.3	Very low	33.2	Very low	123 Å²	123	145.6 Å²	145.6	86%	0.86	81%	0.809	S	S	*	*			trans	-172.1	125	143.2	54.6	0	0	0	0	110.4
1258	S	35.4	Very low	33.3	Very low	118 Å²	118	144.5 Å²	144.5	83%	0.825	80%	0.802	S	S	*	*			trans	-127.1	134.7	169.4	50.6	0	0	0	0	110.4
1259	V	32	Very low	33.4	Very low	145 Å²	145	145.4 Å²	145.4	88%	0.879	80%	0.795	S	S	*	*			trans	-116.8	143.5	151.3	179.9	0	0	0	0	105.5
1260	K	33.7	Very low	33.3	Very low	192 Å²	192	142.7 Å²	142.7	84%	0.835	79%	0.787	S	S	*	*	S	Bend	trans	-59.4	151.3	-174.3	-53.4	172.8	-179	174	0	110
1261	L	31.9	Very low	33.4	Very low	169 Å²	169	144.1 Å²	144.1	89%	0.885	78%	0.782	S	S	*	*			cis	-131.6	-144.6	24.8	-72.3	160.7	0	0	0	112.8
1262	S	33.5	Very low	33.6	Very low	110 Å²	110	143 Å²	143	77%	0.769	77%	0.77	S	S	*	*			trans	-123.6	143.3	-144.6	60.4	0	0	0	0	119.1
1263	A	35.1	Very low	33.7	Very low	86 Å²	86	144.4 Å²	144.4	71%	0.711	77%	0.768	S	S	*	*			trans	91.1	128.9	134.5	0	0	0	0	0	123.8
1264	K	34.9	Very low	33.7	Very low	196 Å²	196	143.3 Å²	143.3	85%	0.852	76%	0.76	S	S	*	*			trans	83.6	119.7	139	-79.3	173.5	178.7	175	0	123.1
1265	S	39.1	Very low	33.3	Very low	92 Å²	92	144.6 Å²	144.6	64%	0.643	76%	0.761	S	S	*	*				82.5	152.6	129.1	-62.6	0	0	0	0	120.1
1266	K	36.9	Very low	33.2	Very low	179 Å²	179	144.7 Å²	144.7	78%	0.778	76%	0.756	S	S	*	*			cis	-172.5	168.8	-8.3	-113.8	173.9	-175.7	179.1	0	113.7
1267	K	34.7	Very low	33.3	Very low	180 Å²	180	138.4 Å²	138.4	78%	0.783	75%	0.749	S	S	*	*			trans	72.2	151.5	150.5	-82	-165.6	160.7	-168.8	0	118.9
1268	L	33.8	Very low	33.3	Very low	127 Å²	127	139.4 Å²	139.4	67%	0.665	74%	0.744	S	S	*	*			cis	-149.9	152.1	-13	-90.5	167.7	0	0	0	107.9
1269	K	34.2	Very low	33.1	Very low	149 Å²	149	140 Å²	140	65%	0.648	74%	0.738	S	S	*	*				58.2	143.7	74.9	-94.2	-168.9	161.1	-98.4	0	114.7	E1271	K1269-E1271 IonicContact NZ-OE1 3.21Å; K1269-E1271 PolarHBondContact NZ-OE1 3.06Å
1270	M	30.2	Very low	32.9	Very low	129 Å²	129	137.7 Å²	137.7	64%	0.635	73%	0.728	S	S	*	*			cis	-169.2	147.5	21.3	-135.7	169.1	77.4	0	0	114.9
1271	E	31.5	Very low	32.9	Very low	135 Å²	135	136.3 Å²	136.3	63%	0.631	73%	0.725	S	S	*	*			trans	47.4	156.9	131.3	-72.4	163.7	-126.2	0	0	124.3	K1269	K1269-E1271 IonicContact NZ-OE1 3.21Å; K1269-E1271 PolarHBondContact NZ-OE1 3.06Å
1272	N	34.1	Very low	33.1	Very low	130 Å²	130	134.5 Å²	134.5	70%	0.695	72%	0.715	S	S	*	*			cis	-178.6	177.2	-19.6	-158.3	2.1	0	0	0	113.2
1273	L	33.9	Very low	32.7	Very low	146 Å²	146	133.2 Å²	133.2	76%	0.764	71%	0.705	S	S	*	*			trans	73	155.9	156.3	-61.6	169.8	0	0	0	120.6
1274	S	30.7	Very low	32.3	Very low	84 Å²	84	136 Å²	136	59%	0.587	70%	0.703	S	S	*	*			cis	-176.1	158	-19.7	55.2	0	0	0	0	115
1275	N	29.7	Very low	31.8	Very low	136 Å²	136	132.9 Å²	132.9	73%	0.727	70%	0.695	S	S	*	*			trans	66.7	164.2	157.6	-60.7	10.8	0	0	0	118.4
1276	E	30	Very low	31.2	Very low	169 Å²	169	134 Å²	134	79%	0.79	70%	0.698	S	S	*	*			cis	-145.5	-152.2	3	-145.6	148.7	-109.4	0	0	113.4
1277	S	32.5	Very low	30.7	Very low	111 Å²	111	131.8 Å²	131.8	78%	0.776	70%	0.7	S	S	*	*			trans	-130.5	-160.6	-168.1	-62.8	0	0	0	0	112.7
1278	I	31.7	Very low	30.4	Very low	145 Å²	145	126.2 Å²	126.2	74%	0.744	69%	0.693	S	S	*	*			cis	-167.5	179.4	22.6	-160.2	167.3	0	0	0	111.3
1279	N	31	Very low	30.1	Very low	131 Å²	131	127.9 Å²	127.9	70%	0.701	70%	0.702	S	S	*	*			trans	72.1	119	165.7	-74.7	-4.7	0	0	0	117.8
1280	S	27.2	Very low	29.7	Very low	96 Å²	96	125.4 Å²	125.4	67%	0.671	70%	0.704	S	S	*	*				75.6	126.9	80.5	76.6	0	0	0	0	113.8
1281	E	35.3	Very low	29.7	Very low	163 Å²	163	124.4 Å²	124.4	76%	0.762	71%	0.705	S	S	*	*				-169	175.1	76.3	-100.2	-163.9	139.9	0	0	116.6
1282	I	34.2	Very low	30.2	Very low	131 Å²	131	123.7 Å²	123.7	67%	0.672	71%	0.712	S	S	*	*			trans	48.5	89.9	147.3	-60.7	163.2	0	0	0	120.1
1283	C	27	Very low	30	Very low	83 Å²	83	124.4 Å²	124.4	56%	0.561	72%	0.715	S	S	*	*				23.8	120.2	108	-64.4	0	0	0	0	122
1284	H	25.6	Very low	29.9	Very low	145 Å²	145	123.3 Å²	123.3	67%	0.671	71%	0.714	S	S	*	*				72.5	116.8	121.1	-68.3	-58.4	0	0	0	123.2
1285	N	24.2	Very low	30	Very low	129 Å²	129	125.3 Å²	125.3	69%	0.69	72%	0.723	S	S	*	*				94.6	129.5	121.6	-67.9	11.6	0	0	0	122.1
1286	T	25.9	Very low	30	Very low	116 Å²	116	124.3 Å²	124.3	71%	0.712	72%	0.717	S	S	*	*			trans	69.1	125.1	138	50.4	0	0	0	0	122.3
1287	T	27.3	Very low	30.3	Very low	133 Å²	133	121 Å²	121	82%	0.816	71%	0.709	S	S	*	*			trans	61.9	134.7	142.2	55.1	0	0	0	0	119.5
1288	G	27.8	Very low	30.4	Very low	62 Å²	62	123.2 Å²	123.2	64%	0.639	70%	0.704	S	S	*	*			cis	141.1	173.1	0.4	0	0	0	0	0	112.1
1289	L	27.2	Very low	30.2	Very low	162 Å²	162	126.6 Å²	126.6	85%	0.848	71%	0.708	S	S	*	*			trans	66.8	148.1	177.7	-63.1	87.4	0	0	0	114.6
1290	S	27.2	Very low	30.3	Very low	98 Å²	98	126.3 Å²	126.3	69%	0.685	71%	0.705	S	S	*	*			cis	-157.8	164.6	-11.5	-107.7	0	0	0	0	113.1
1291	T	30.2	Very low	30.5	Very low	108 Å²	108	125.9 Å²	125.9	66%	0.663	70%	0.699	S	S	*	*			trans	-28.4	149.7	165.7	55.8	0	0	0	0	118.2
1292	P	42.1	Very low	30.6	Very low	119 Å²	119	119.1 Å²	119.1	77%	0.773	67%	0.669	S	S	*	*				-114.1	148.6	82.9	-6.2	26.7	0	0	0	112.9
1293	L	29.9	Very low	30.4	Very low	145 Å²	145	115.9 Å²	115.9	76%	0.759	65%	0.652	S	S	*	*				71.5	136.9	55.9	-57.5	171.1	0	0	0	112.3
1294	V	31.1	Very low	30.9	Very low	123 Å²	123	118.9 Å²	118.9	75%	0.745	65%	0.652	S	S	*	*			cis	-162	167.9	13.7	83.3	0	0	0	0	113.6
1295	V	33	Very low	30.9	Very low	127 Å²	127	116.9 Å²	116.9	77%	0.77	65%	0.654	S	S	*	*			trans	72.5	132.6	158.2	154.2	0	0	0	0	119.5
1296	D	30.5	Very low	31.2	Very low	114 Å²	114	118 Å²	118	61%	0.61	66%	0.659	S	S	*	*			cis	-164	162.5	-20.6	-157.9	1.6	0	0	0	112.7
1297	T	34.8	Very low	31.1	Very low	101 Å²	101	116.5 Å²	116.5	62%	0.62	65%	0.654	S	S	*	*			trans	68	144.9	157.3	68.9	0	0	0	0	120.6
1298	K	34.6	Very low	31.3	Very low	157 Å²	157	116.8 Å²	116.8	68%	0.683	66%	0.655	S	S	*	*			cis	-160.5	125.4	-29.3	-110.6	150.5	-165.2	146.3	0	104.3
1299	R	28.3	Very low	31.2	Very low	216 Å²	216	118.7 Å²	118.7	82%	0.815	65%	0.651	S	S	*	*				62.7	106.5	82.8	-171	-147.9	-155.9	-168.2	11.9	113.1
1300	L	32.8	Very low	31.5	Very low	124 Å²	124	117.5 Å²	117.5	65%	0.649	65%	0.654	S	S	*	*				-171.3	141.1	128.6	-112.6	75.4	0	0	0	106.3
1301	V	32	Very low	31.6	Very low	87 Å²	87	121.2 Å²	121.2	53%	0.527	66%	0.658	S	S	.	*				62.8	132.2	79.7	178.6	0	0	0	0	110.2
1302	T	36.7	Very low	31.5	Very low	22 Å²	22	122.8 Å²	122.8	14%	0.135	66%	0.656	C	S	.	*			cis	-141	127.5	32.2	-36.4	0	0	0	0	114.8	Q240 N241 D242	Q240-T1302 CarbonylContact C-O 3.47Å; N241-T1302 WeakPolarHBondContact CA-O 3.4Å; N241-T1302 VanDerWaalsContact CB-O 3.31Å; N241-T1302 WeakPolarHBondContact CB-O 2.81Å; N241-T1302 PolarHBondContact N-O 2.81Å; N241-T1302 WeakPolarHBondContact O-CB 3.46Å; N241-T1302 PolarHBondContact O-N 3.32Å; N241-T1302 VanDerWaalsContact O-N 3.13Å; N241-T1302 PolarHBondContact O-OG1 2.91Å; D242-T1302 PolarHBondContact OD1-OG1 3.45Å
1303	D	30.4	Very low	31	Very low	62 Å²	62	124.2 Å²	124.2	33%	0.332	65%	0.652	S	S	.	*			trans	57.4	171	153.1	-71	3.6	0	0	0	123.5	N241	N241-D1303 PolarHBondContact ND2-O 2.86Å
1304	R	37.6	Very low	31	Very low	147 Å²	147	122.1 Å²	122.1	56%	0.555	65%	0.647	S	S	*	*			trans	78.3	106.9	144	-86.1	165.5	-161.5	89	32.9	119.8
1305	S	25.4	Very low	30.7	Very low	102 Å²	102	122.9 Å²	122.9	71%	0.713	65%	0.645	S	S	*	*			cis	78.1	135.2	43.4	-46.9	0	0	0	0	115.7
1306	L	30.1	Very low	30.4	Very low	152 Å²	152	121.8 Å²	121.8	80%	0.796	64%	0.635	S	S	*	*			trans	70.8	129.5	176.1	-49.7	177.2	0	0	0	113.7
1307	S	25	Very low	30.3	Very low	86 Å²	86	120.7 Å²	120.7	60%	0.601	63%	0.625	S	S	*	*				42.1	73.3	75.7	-140.8	0	0	0	0	112.4	D1309	S1307-D1309 WeakPolarHBondContact CB-OD1 3.47Å; S1307-D1309 VanDerWaalsContact O-CG 3.27Å; S1307-D1309 PolarHBondContact OG-OD1 3.22Å
1308	V	31.1	Very low	30.3	Very low	138 Å²	138	119.9 Å²	119.9	84%	0.836	61%	0.614	S	S	*	*			trans	-118.5	48.2	158	-169.1	0	0	0	0	107.1
1309	D	26	Very low	30.4	Very low	103 Å²	103	114.5 Å²	114.5	55%	0.551	59%	0.593	S	S	*	*				84.3	106.1	87.3	-92.3	-1.2	0	0	0	111.2	S1307 K1311	S1307-D1309 WeakPolarHBondContact CB-OD1 3.47Å; S1307-D1309 VanDerWaalsContact O-CG 3.27Å; S1307-D1309 PolarHBondContact OG-OD1 3.22Å; D1309-K1311 VanDerWaalsContact C-N 3.34Å; D1309-K1311 WeakPolarHBondContact O-CA 3.02Å; D1309-K1311 WeakPolarHBondContact O-CB 3.18Å; D1309-K1311 PolarHBondContact O-N 2.83Å
1310	C	33.5	Very low	30.7	Very low	136 Å²	136	108 Å²	108	92%	0.919	58%	0.575	S	S	*	*	S	Bend	trans	-35.5	81.9	-175.8	-60.1	0	0	0	0	116
1311	K	29	Very low	30.7	Very low	176 Å²	176	107.2 Å²	107.2	77%	0.765	58%	0.575	S	S	*	*			trans	170.3	166.9	-171.3	-89	133.6	-169.8	172.5	0	105.3	D1309	D1309-K1311 VanDerWaalsContact C-N 3.34Å; D1309-K1311 WeakPolarHBondContact O-CA 3.02Å; D1309-K1311 WeakPolarHBondContact O-CB 3.18Å; D1309-K1311 PolarHBondContact O-N 2.83Å
1312	K	28.7	Very low	30.7	Very low	141 Å²	141	110.2 Å²	110.2	61%	0.613	59%	0.588	S	S	*	*			cis	-160.3	138.3	-13	-126.1	171.1	163.2	-75.2	0	107.8
1313	E	29.8	Very low	30.3	Very low	150 Å²	150	117.8 Å²	117.8	70%	0.701	62%	0.622	S	S	*	*			trans	60.1	161.9	147.2	-87.1	143.8	-142.3	0	0	118.9
1314	P	30.6	Very low	30.3	Very low	100 Å²	100	119.1 Å²	119.1	65%	0.649	64%	0.642	S	S	*	*			cis	-130.7	177.8	-12.4	40	-24.3	0	0	0	114.5
1315	I	24.6	Very low	29.7	Very low	139 Å²	139	117.3 Å²	117.3	71%	0.713	65%	0.651	S	S	*	*			trans	69.9	110.7	143.1	-75.6	158.6	0	0	0	120.1
1316	D	26.2	Very low	29.7	Very low	105 Å²	105	116.9 Å²	116.9	56%	0.561	65%	0.649	S	S	*	*			trans	43.9	125.4	133.2	-36.6	-20.1	0	0	0	122	E557	E557-D1316 WeakPolarHBondContact OE1-CA 3.45Å
1317	F	30.1	Very low	29.8	Very low	91 Å²	91	115.1 Å²	115.1	40%	0.399	64%	0.644	S	S	.	*				-169.8	174.3	87.1	-111.8	-76.4	0	0	0	115.1	E557 R558 F567	E557-F1317 CarbonylContact C-O 3.55Å; E557-F1317 VanDerWaalsContact C-O 3.29Å; E557-F1317 WeakPolarHBondContact CA-O 3.39Å; E557-F1317 WeakPolarHBondContact CB-O 3.28Å; E557-F1317 WeakPolarHBondContact CG-O 3.09Å; E557-F1317 PolarHBondContact OE1-N 2.91Å; R558-F1317 WeakPolarHBondContact CB-O 3.17Å; R558-F1317 PolarHBondContact N-O 3.35Å; F567-F1317 HydrophobicContact CE1-CZ 4.32Å; F567-F1317 HydrophobicContact CZ-CE1 4.47Å; F567-F1317 HydrophobicContact CZ-CE2 4.23Å; F567-F1317 AromaticContact CZ-CZ 3.68Å; F567-F1317 HydrophobicContact CZ-CZ 3.68Å
1318	E	34.5	Very low	30	Very low	83 Å²	83	118.1 Å²	118.1	39%	0.388	65%	0.652	S	S	.	*			trans	-72.8	157.9	-145	-96.7	-169.9	166.7	0	0	126.3	R558	R558-E1318 WeakPolarHBondContact CA-O 3.39Å; R558-E1318 WeakPolarHBondContact CB-O 3.28Å; R558-E1318 WeakPolarHBondContact CD-O 3.4Å; R558-E1318 VanDerWaalsContact CG-O 3.27Å; R558-E1318 WeakPolarHBondContact CG-O 3.2Å; R558-E1318 IonicContact CZ-OE2 2.66Å; R558-E1318 PolarHBondContact N-O 2.89Å; R558-E1318 PolarHBondContact NE-O 2.83Å; R558-E1318 IonicContact NH1-OE2 2.77Å; R558-E1318 PolarHBondContact NH1-OE2 2.77Å; R558-E1318 IonicContact NH2-OE2 3.03Å; R558-E1318 PolarHBondContact NH2-OE2 2.88Å
1319	D	36.3	Very low	29.9	Very low	45 Å²	45	120 Å²	120	24%	0.241	65%	0.652	C	S	.	*				23.2	148.6	119.6	-79.1	-5.7	0	0	0	121.3	K555 Y556 R558	K555-D1319 IonicContact NZ-OD1 3.25Å; K555-D1319 PolarHBondContact NZ-OD1 2.75Å; K555-D1319 IonicContact NZ-OD2 3.38Å; K555-D1319 PolarHBondContact NZ-OD2 3.42Å; Y556-D1319 VanDerWaalsContact CB-CA 3.44Å; R558-D1319 PolarHBondContact NE-O 3.11Å; R558-D1319 PolarHBondContact NH2-O 2.79Å
1320	D	33.4	Very low	29.9	Very low	79 Å²	79	119.5 Å²	119.5	42%	0.422	66%	0.657	S	S	.	*			cis	-167.2	-152.5	-11.4	-155.8	-53.1	0	0	0	106.6	K555 Y556	K555-D1320 IonicContact NZ-OD2 3.28Å; K555-D1320 PolarHBondContact NZ-OD2 3.29Å; Y556-D1320 HydrophobicContact CD2-CB 4.18Å; Y556-D1320 HydrophobicContact CE2-CB 4.12Å; Y556-D1320 WeakPolarHBondContact CE2-OD1 3.37Å; Y556-D1320 VanDerWaalsContact CZ-CA 3.49Å
1321	V	34.3	Very low	29.9	Very low	108 Å²	108	122 Å²	122	66%	0.655	65%	0.651	S	S	*	*			trans	81.3	127.1	156.9	-173.8	0	0	0	0	116.3
1322	N	31	Very low	30	Very low	150 Å²	150	120.8 Å²	120.8	80%	0.802	65%	0.653	S	S	*	*			cis	-152.3	172.9	4	-137.4	-9.9	0	0	0	114.7
1323	Q	28.7	Very low	30.1	Very low	180 Å²	180	118.8 Å²	118.8	84%	0.841	66%	0.657	S	S	*	*			trans	-95.4	158.4	168.3	-64.5	177.8	-19.5	0	0	113.8
1324	A	29.6	Very low	30.4	Very low	91 Å²	91	117 Å²	117	75%	0.752	66%	0.659	S	S	*	*			trans	-154.7	157	148.7	0	0	0	0	0	110.4
1325	S	26	Very low	30.5	Very low	108 Å²	108	121 Å²	121	76%	0.755	67%	0.67	S	S	*	*			trans	-160.4	168.2	-177.5	-65.8	0	0	0	0	113.5
1326	S	26	Very low	30.8	Very low	94 Å²	94	123 Å²	123	66%	0.657	67%	0.668	S	S	*	*			trans	-162.2	173.3	-174.5	49.9	0	0	0	0	110.7
1327	T	32.3	Very low	30.9	Very low	115 Å²	115	122.6 Å²	122.6	71%	0.706	67%	0.666	S	S	*	*			cis	-168.4	171.7	-34.6	-75.4	0	0	0	0	106.7
1328	L	29.1	Very low	30.8	Very low	148 Å²	148	126.7 Å²	126.7	78%	0.775	69%	0.686	S	S	*	*			trans	83.2	124.5	175.2	-48.1	175.7	0	0	0	114.6
1329	H	27.4	Very low	30.3	Very low	179 Å²	179	127.8 Å²	127.8	83%	0.829	69%	0.694	S	S	*	*			cis	84.8	131.9	49.7	-77.7	-83.5	0	0	0	112.9
1330	S	27.8	Very low	29.7	Very low	92 Å²	92	129.3 Å²	129.3	64%	0.643	70%	0.699	S	S	*	*			cis	-169.9	174.5	41.4	61.1	0	0	0	0	115.2
1331	K	32.9	Very low	29.9	Very low	187 Å²	187	131.5 Å²	131.5	81%	0.813	72%	0.718	S	S	*	*			trans	67.9	156.9	161.6	-64.8	-179.6	-179.3	179.3	0	119.4
1332	L	30.4	Very low	29.6	Very low	151 Å²	151	129.6 Å²	129.6	79%	0.791	71%	0.706	S	S	*	*			cis	-165.1	149	-30.9	-110.1	173.5	0	0	0	111.8
1333	S	30.5	Very low	29.3	Very low	100 Å²	100	131.1 Å²	131.1	70%	0.699	70%	0.701	S	S	*	*			trans	56.5	108	147.7	-167.5	0	0	0	0	125.2
1334	C	36.5	Very low	29.2	Very low	111 Å²	111	128.7 Å²	128.7	75%	0.75	70%	0.698	S	S	*	*			trans	56.1	147.9	134	-64.4	0	0	0	0	125.5
1335	Q	32.5	Very low	28.9	Very low	186 Å²	186	128 Å²	128	87%	0.869	69%	0.689	S	S	*	*			trans	61.3	121.9	173.9	-71	161.4	-72.8	0	0	115.5
1336	R	31.9	Very low	28.8	Very low	180 Å²	180	128.2 Å²	128.2	68%	0.679	69%	0.69	S	S	*	*				54.4	122.1	73	-100.9	-150.2	151	133.3	-5	113.8	E1340	R1336-E1340 IonicContact NH2-OE2 2.61Å
1337	D	27.8	Very low	29	Very low	97 Å²	97	129.2 Å²	129.2	52%	0.519	70%	0.697	S	S	.	*			cis	-124.8	136.6	-4.2	-71.2	-84	0	0	0	108.2	I1339	D1337-I1339 HydrophobicContact CB-CD1 4.35Å; D1337-I1339 HydrophobicContact CB-CG1 4.4Å
1338	Q	27.1	Very low	28.7	Very low	177 Å²	177	129 Å²	129	83%	0.827	70%	0.7	S	S	*	*	S	Bend		-161.2	155.1	77.2	-81.3	-126.9	10.7	0	0	113.5
1339	I	25.7	Very low	28.6	Very low	105 Å²	105	127.8 Å²	127.8	54%	0.538	70%	0.704	S	S	.	*			cis	-158.4	173.1	-32.4	-138.3	164.1	0	0	0	110.5	D1337	D1337-I1339 HydrophobicContact CB-CD1 4.35Å; D1337-I1339 HydrophobicContact CB-CG1 4.4Å
1340	E	23.8	Very low	28.8	Very low	77 Å²	77	122.5 Å²	122.5	36%	0.36	70%	0.698	S	S	.	*			trans	-39.2	152.1	160.1	-57.1	-155.9	89.9	0	0	113.7	R1336 T1342 R1343	R1336-E1340 IonicContact NH2-OE2 2.61Å; E1340-T1342 HydrophobicContact CB-CG2 4.04Å; E1340-T1342 WeakPolarHBondContact CB-OG1 3.48Å; E1340-T1342 HydrophobicContact CG-CG2 3.65Å; E1340-T1342 VanDerWaalsContact CG-OG1 3.28Å; E1340-T1342 WeakPolarHBondContact CG-OG1 3.49Å; E1340-T1342 VanDerWaalsContact OE1-CB 3.23Å; E1340-T1342 WeakPolarHBondContact OE1-CB 3.34Å; E1340-T1342 WeakPolarHBondContact OE1-CG2 3.47Å; E1340-T1342 PolarHBondContact OE1-OG1 3.25Å; E1340-R1343 IonicContact OE1-CZ 3.03Å; E1340-R1343 IonicContact OE1-NH1 3.42Å; E1340-R1343 PolarHBondContact OE1-NH1 2.87Å
1341	P	35.9	Very low	29.4	Very low	126 Å²	126	124.3 Å²	124.3	82%	0.818	71%	0.707	S	S	*	*			cis	-114.2	128.9	30.9	9.3	14.6	0	0	0	112.1
1342	T	29.1	Very low	29	Very low	67 Å²	67	122.3 Å²	122.3	41%	0.411	71%	0.71	S	S	.	*			cis	49.9	124.6	32.3	83.8	0	0	0	0	114.5	E1340	E1340-T1342 HydrophobicContact CB-CG2 4.04Å; E1340-T1342 WeakPolarHBondContact CB-OG1 3.48Å; E1340-T1342 HydrophobicContact CG-CG2 3.65Å; E1340-T1342 VanDerWaalsContact CG-OG1 3.28Å; E1340-T1342 WeakPolarHBondContact CG-OG1 3.49Å; E1340-T1342 VanDerWaalsContact OE1-CB 3.23Å; E1340-T1342 WeakPolarHBondContact OE1-CB 3.34Å; E1340-T1342 WeakPolarHBondContact OE1-CG2 3.47Å; E1340-T1342 PolarHBondContact OE1-OG1 3.25Å
1343	R	24.8	Very low	29	Very low	183 Å²	183	120.4 Å²	120.4	69%	0.691	71%	0.71	S	S	*	*				79.3	147.5	112.8	-75.8	170.4	-167.5	151.2	-8.9	113	E1340	E1340-R1343 IonicContact OE1-CZ 3.03Å; E1340-R1343 IonicContact OE1-NH1 3.42Å; E1340-R1343 PolarHBondContact OE1-NH1 2.87Å
1344	T	25.6	Very low	29	Very low	128 Å²	128	125.2 Å²	125.2	79%	0.785	72%	0.718	S	S	*	*			cis	-123.8	163.3	8.4	40.4	0	0	0	0	111.9
1345	S	23.2	Very low	28.7	Very low	78 Å²	78	125.1 Å²	125.1	55%	0.545	72%	0.719	S	S	.	*			cis	-172.3	167.8	-46.4	48.7	0	0	0	0	108.9
1346	S	24.6	Very low	28.7	Very low	112 Å²	112	125.8 Å²	125.8	78%	0.783	72%	0.719	S	S	*	*			trans	42.2	84.4	143.8	61.3	0	0	0	0	118.6
1347	S	29.9	Very low	28.5	Very low	114 Å²	114	125.3 Å²	125.3	80%	0.797	73%	0.729	S	S	*	*			trans	-152	157.5	148.3	41.9	0	0	0	0	111.5
1348	S	25.5	Very low	28.4	Very low	112 Å²	112	125 Å²	125	78%	0.783	74%	0.735	S	S	*	*			trans	-27	144.2	174.8	46	0	0	0	0	117
1349	S	28.1	Very low	28.3	Very low	121 Å²	121	122.3 Å²	122.3	85%	0.846	73%	0.731	S	S	*	*			cis	-176.9	166.9	6.8	46.4	0	0	0	0	111.6
1350	G	30.7	Very low	28.3	Very low	69 Å²	69	122.7 Å²	122.7	71%	0.711	73%	0.733	S	S	*	*			trans	130.5	129.5	153.4	0	0	0	0	0	115.1
1351	P	40.9	Very low	28.6	Very low	129 Å²	129	122.8 Å²	122.8	84%	0.838	73%	0.732	S	S	*	*			trans	-100.5	168	-166.2	38.9	-37.2	0	0	0	116
1352	V	25.5	Very low	28.6	Very low	145 Å²	145	119.6 Å²	119.6	88%	0.879	71%	0.713	S	S	*	*			trans	-86.6	150.2	163.6	177.4	0	0	0	0	109.7
1353	S	29.3	Very low	28.8	Very low	112 Å²	112	125.3 Å²	125.3	78%	0.783	73%	0.732	S	S	*	*			trans	-140.6	163.7	176.9	62.3	0	0	0	0	113.1
1354	K	31.1	Very low	28.9	Very low	200 Å²	200	123.7 Å²	123.7	87%	0.87	74%	0.735	S	S	*	*			trans	-137.8	156.9	175	-84.1	-174.2	176.4	177.6	0	111.4
1355	S	30.1	Very low	28.9	Very low	110 Å²	110	122.2 Å²	122.2	77%	0.769	73%	0.731	S	S	*	*	S	Bend	trans	70	86.1	165.3	23.5	0	0	0	0	120
1356	K	31.9	Very low	28.9	Very low	200 Å²	200	123.6 Å²	123.6	87%	0.87	74%	0.74	S	S	*	*				64.1	90.2	128.4	-63.2	-179.9	178.2	179.8	0	120.2
1357	L	28.3	Very low	28.8	Very low	169 Å²	169	121.7 Å²	121.7	89%	0.885	73%	0.727	S	S	*	*				-148.9	171.2	125.8	-138.4	71.6	0	0	0	110.5
1358	S	24.6	Very low	28.5	Very low	92 Å²	92	120.4 Å²	120.4	64%	0.643	72%	0.718	S	S	*	*			trans	-26.6	144.8	165.1	38.1	0	0	0	0	117
1359	T	26.1	Very low	28.5	Very low	120 Å²	120	121 Å²	121	74%	0.736	72%	0.717	S	S	*	*			cis	-166.5	145.2	8.9	-89.1	0	0	0	0	112.1
1360	L	26	Very low	28.5	Very low	113 Å²	113	122.2 Å²	122.2	59%	0.592	71%	0.712	S	S	*	*			trans	41.3	93.3	159.9	-58.8	168.2	0	0	0	123.6
1361	K	29.8	Very low	28.5	Very low	79 Å²	79	129 Å²	129	34%	0.343	72%	0.716	S	S	.	*			trans	61.8	-179.6	134.2	-59.9	123.8	118.6	-149.8	0	121.2	E574 S576	E574-K1361 VanDerWaalsContact O-CE 3.22Å; E574-K1361 WeakPolarHBondContact O-CE 3.22Å; E574-K1361 IonicContact OE2-NZ 2.68Å; E574-K1361 PolarHBondContact OE2-NZ 3.16Å; S576-K1361 VanDerWaalsContact N-CB 3.28Å; S576-K1361 CarbonylContact O-C 2.95Å; S576-K1361 VanDerWaalsContact O-CB 3.24Å; S576-K1361 WeakPolarHBondContact O-CB 3.4Å
1362	S	35.9	Very low	28.2	Very low	58 Å²	58	127.2 Å²	127.2	41%	0.406	71%	0.713	S	S	.	*				-167.3	147.1	-76.9	62.1	0	0	0	0	116.5	S576	S576-S1362 PolarHBondContact O-N 2.75Å
1363	K	32.6	Very low	28.6	Very low	187 Å²	187	128.3 Å²	128.3	81%	0.813	71%	0.706	S	S	*	*			trans	73.9	128.5	146.2	-77.8	179.5	178.4	178.5	0	123.1
1364	I	28	Very low	28.6	Very low	149 Å²	149	127.3 Å²	127.3	76%	0.764	69%	0.692	S	S	*	*			trans	63.1	123.8	135.1	-59.6	172.3	0	0	0	119.9
1365	S	25.8	Very low	28.4	Very low	98 Å²	98	125.8 Å²	125.8	69%	0.685	69%	0.692	S	S	*	*			trans	45.2	119.4	150.4	-159	0	0	0	0	120.5
1366	S	23	Very low	28.1	Very low	106 Å²	106	124.9 Å²	124.9	74%	0.741	68%	0.682	S	S	*	*	S	Bend	trans	57.3	96.3	138.5	-52.1	0	0	0	0	119
1367	S	21.7	Very low	28	Very low	72 Å²	72	120 Å²	120	50%	0.503	67%	0.673	S	S	.	*			trans	69.3	123.7	149.3	-172.9	0	0	0	0	117.6	K340	K340-S1367 PolarHBondContact NZ-OG 2.84Å
1368	S	23.8	Very low	28	Very low	88 Å²	88	120.9 Å²	120.9	62%	0.615	67%	0.669	S	S	*	*			trans	66.1	118.4	160.6	31.9	0	0	0	0	116.2
1369	T	24.9	Very low	28	Very low	125 Å²	125	123.4 Å²	123.4	77%	0.767	68%	0.675	S	S	*	*				49.4	132.4	83.2	56.8	0	0	0	0	113.5
1370	I	28.3	Very low	28	Very low	145 Å²	145	122.2 Å²	122.2	74%	0.744	67%	0.671	S	S	*	*			cis	-168	174.7	39.4	-135.1	153	0	0	0	112.4
1371	R	30.1	Very low	28.1	Very low	211 Å²	211	125 Å²	125	80%	0.796	68%	0.679	S	S	*	*			trans	86.9	114.3	173.8	-81.1	151.1	177.3	-180	-4.9	116.6
1372	A	36.5	Very low	28.1	Very low	92 Å²	92	126.5 Å²	126.5	76%	0.76	69%	0.69	S	S	*	*			cis	79.2	117.1	14.6	0	0	0	0	0	117.8
1373	K	33.2	Very low	27.6	Very low	169 Å²	169	124.5 Å²	124.5	74%	0.735	68%	0.677	S	S	*	*			trans	-165.5	135.5	170.8	-81	-162.9	-176.9	179.9	0	107.7
1374	N	28	Very low	27.4	Very low	91 Å²	91	124.2 Å²	124.2	49%	0.487	68%	0.676	S	S	.	*			cis	-149.1	140.1	-14.9	-34.3	-93.9	0	0	0	110.4	N433 V1376	N433-N1374 PolarHBondContact ND2-ND2 3.37Å; N433-N1374 VanDerWaalsContact ND2-ND2 3.2Å; N433-N1374 PolarHBondContact ND2-OD1 3.34Å; N1374-V1376 HydrophobicContact CB-CG2 4.34Å
1375	L	27.9	Very low	27.5	Very low	168 Å²	168	127.1 Å²	127.1	88%	0.88	68%	0.677	S	S	*	*			trans	-177.7	113	143.2	-101.9	165.5	0	0	0	104
1376	V	24.3	Very low	27.6	Very low	91 Å²	91	126.6 Å²	126.6	55%	0.552	66%	0.663	S	S	*	*			cis	73.9	61.7	29.1	-160.8	0	0	0	0	113.7	N1374	N1374-V1376 HydrophobicContact CB-CG2 4.34Å
1377	S	28.4	Very low	27.7	Very low	98 Å²	98	129.4 Å²	129.4	69%	0.685	66%	0.662	S	S	*	*				-160.2	141.4	121.9	76.6	0	0	0	0	113.9
1378	K	29.8	Very low	28.1	Very low	186 Å²	186	131.4 Å²	131.4	81%	0.809	67%	0.671	S	S	*	*			trans	59.9	137.1	154	-63.6	161.7	-176	173.3	0	118.4
1379	L	25	Very low	28.2	Very low	146 Å²	146	133.8 Å²	133.8	76%	0.764	68%	0.677	S	S	*	*			cis	93.4	152.2	34.1	-71	167	0	0	0	114.6
1380	S	24.8	Very low	28.3	Very low	94 Å²	94	133.6 Å²	133.6	66%	0.657	67%	0.667	S	S	*	*			trans	66.4	-172.8	-175.6	73.6	0	0	0	0	114.6
1381	K	28.5	Very low	28.3	Very low	171 Å²	171	135.7 Å²	135.7	74%	0.743	68%	0.679	S	S	*	*			cis	-151.4	128.6	-6.7	-171.1	-178	179	-176.6	0	111.3	I1431	K1381-I1431 VanDerWaalsContact O-CG2 3.29Å; K1381-I1431 WeakPolarHBondContact O-CG2 3.18Å
1382	L	28.9	Very low	28.2	Very low	111 Å²	111	135.3 Å²	135.3	58%	0.581	68%	0.677	S	S	*	*			trans	81.7	106	135.9	-73.7	127.8	0	0	0	120.3	S1432	L1382-S1432 WeakPolarHBondContact CD1-OG 3.32Å; L1382-S1432 WeakPolarHBondContact CG-OG 3.07Å; L1382-S1432 VanDerWaalsContact N-CB 3.29Å; L1382-S1432 PolarHBondContact N-OG 2.93Å
1383	A	27	Very low	27.8	Very low	16 Å²	16	137.8 Å²	137.8	13%	0.132	68%	0.676	C	S	.	*			trans	-58.2	124.1	150.9	0	0	0	0	0	113.5	L1429 M1430 I1431	A1383-L1429 HydrophobicContact CB-CB 4.08Å; A1383-L1429 HydrophobicContact CB-CD1 4.4Å; A1383-M1430 WeakPolarHBondContact CA-O 3.33Å; A1383-M1430 VanDerWaalsContact CB-C 3.41Å; A1383-M1430 VanDerWaalsContact CB-N 3.28Å; A1383-I1431 PolarHBondContact N-O 3.48Å
1384	K	28.1	Very low	27.6	Very low	181 Å²	181	136.5 Å²	136.5	79%	0.787	68%	0.677	S	S	*	*			trans	-160.9	169.1	149.9	-86.9	-128.3	175.2	-177.3	0	113	L1429	K1384-L1429 HydrophobicContact CB-CD2 4.15Å; K1384-L1429 HydrophobicContact CD-CD2 4.3Å; K1384-L1429 HydrophobicContact CG-CD1 4.28Å; K1384-L1429 HydrophobicContact CG-CD2 4.04Å
1385	R	29.8	Very low	27.7	Very low	211 Å²	211	136.8 Å²	136.8	80%	0.796	69%	0.686	S	S	*	*			trans	98.8	170.9	179.2	-72.8	-174.6	177.8	174.2	-0.4	113.9	I1428	R1385-I1428 WeakPolarHBondContact O-CG2 3.37Å
1386	K	28.1	Very low	27.7	Very low	87 Å²	87	138.4 Å²	138.4	38%	0.378	68%	0.681	S	S	.	*			trans	-179.9	141.1	-170.1	169.1	165.1	-176.7	169.9	0	112.2	P1426 S1427 I1428	K1386-P1426 PolarHBondContact NZ-O 3.19Å; K1386-S1427 VanDerWaalsContact CD-O 3.31Å; K1386-S1427 WeakPolarHBondContact CD-O 3.49Å; K1386-S1427 WeakPolarHBondContact CE-O 3.36Å; K1386-S1427 PolarHBondContact NZ-O 3.27Å; K1386-I1428 HydrophobicContact CB-CB 4.05Å; K1386-I1428 HydrophobicContact CB-CD1 4.39Å; K1386-I1428 HydrophobicContact CB-CG2 4.19Å; K1386-I1428 HydrophobicContact CD-CB 4.26Å; K1386-I1428 HydrophobicContact CD-CD1 4.29Å; K1386-I1428 HydrophobicContact CG-CB 4.15Å; K1386-I1428 HydrophobicContact CG-CD1 3.8Å
1387	F	25.1	Very low	28	Very low	164 Å²	164	142.1 Å²	142.1	72%	0.719	69%	0.692	S	S	*	*			trans	57.2	171.5	164.7	-82.7	-155.3	0	0	0	116.5	I1428	F1387-I1428 HydrophobicContact CD2-CD1 3.58Å; F1387-I1428 HydrophobicContact CE2-CD1 3.63Å
1388	T	30.2	Very low	28.3	Very low	115 Å²	115	147.1 Å²	147.1	71%	0.706	70%	0.701	S	S	*	*			cis	-104.5	176.5	-24.1	45.5	0	0	0	0	108.4
1389	N	24.7	Very low	28.5	Very low	138 Å²	138	142.9 Å²	142.9	74%	0.738	70%	0.695	S	S	*	*				53.9	151.8	50.2	-97.3	32.4	0	0	0	115.6
1390	E	27.9	Very low	28.6	Very low	120 Å²	120	145.9 Å²	145.9	56%	0.561	70%	0.702	S	S	*	*			trans	66.2	88.7	-177.4	-51.1	-38.6	119.9	0	0	118.8	R1392	E1390-R1392 WeakPolarHBondContact OE2-CB 3.09Å; E1390-R1392 PolarHBondContact OE2-N 3.15Å
1391	L	28.2	Very low	28.9	Very low	190 Å²	190	152.3 Å²	152.3	100%	0.995	71%	0.712	S	S	*	*				-125.7	77	111.1	-79	-176.9	0	0	0	109.7
1392	R	27.8	Very low	28.8	Very low	202 Å²	202	150.8 Å²	150.8	76%	0.762	71%	0.712	S	S	*	*			trans	-102.9	167.3	152	179.3	175.1	-85.6	166.1	-5.4	107.7	E1390	E1390-R1392 WeakPolarHBondContact OE2-CB 3.09Å; E1390-R1392 PolarHBondContact OE2-N 3.15Å
1393	I	29	Very low	29	Very low	144 Å²	144	150.7 Å²	150.7	74%	0.738	72%	0.716	S	S	*	*			trans	94.5	119.8	172.5	-57.2	176.1	0	0	0	112.2
1394	L	27.8	Very low	29.1	Very low	143 Å²	143	156.5 Å²	156.5	75%	0.749	74%	0.744	S	S	*	*			cis	-152.8	-177.2	-13.5	-108.2	-175.9	0	0	0	106.1
1395	S	29.9	Very low	29.3	Very low	97 Å²	97	153.8 Å²	153.8	68%	0.678	74%	0.739	S	S	*	*			cis	-148	154.8	16.6	-152.8	0	0	0	0	115.5
1396	R	27.9	Very low	29.5	Very low	202 Å²	202	149 Å²	149	76%	0.762	73%	0.728	S	S	*	*			trans	-72.9	156.6	149.4	-90.7	178.5	161.8	180	-8	110.2
1397	Q	31.7	Very low	29.8	Very low	169 Å²	169	153 Å²	153	79%	0.79	75%	0.746	S	S	*	*			trans	61.1	91.6	150.5	-71.5	165.9	-73.7	0	0	119
1398	K	33.8	Very low	30.3	Very low	203 Å²	203	152.9 Å²	152.9	88%	0.883	75%	0.747	S	S	*	*				-49.4	154.2	119.4	-74.3	-178.9	177.9	-179.1	0	110.5
1399	S	33.7	Very low	30.3	Very low	96 Å²	96	155.1 Å²	155.1	67%	0.671	75%	0.75	S	S	*	*			cis	-172.3	120.9	-12.6	161	0	0	0	0	110.6
1400	K	27.6	Very low	30.8	Very low	210 Å²	210	153.6 Å²	153.6	91%	0.913	75%	0.747	S	S	*	*			trans	-124.2	147.6	135.8	-82.8	-171.2	174.4	-176.5	0	106.5
1401	R	30.9	Very low	31.4	Very low	228 Å²	228	152.9 Å²	152.9	86%	0.86	75%	0.753	S	S	*	*			trans	-77.1	148	-175.5	-48.7	173.6	168.8	139	-8.8	109.5
1402	N	26.4	Very low	31.4	Very low	140 Å²	140	151.2 Å²	151.2	75%	0.749	74%	0.742	S	S	*	*				-178.6	149.9	69.2	-115.2	1.5	0	0	0	112.9
1403	V	32.7	Very low	31.3	Very low	109 Å²	109	147.4 Å²	147.4	66%	0.661	74%	0.737	S	S	*	*			trans	66.5	101.7	133.4	179.8	0	0	0	0	122.4
1404	N	30	Very low	31.5	Very low	137 Å²	137	148.3 Å²	148.3	73%	0.733	74%	0.743	S	S	*	*				77.7	123.9	123.3	-65.2	16.7	0	0	0	127.3
1405	N	31.8	Very low	31.6	Very low	125 Å²	125	148.7 Å²	148.7	67%	0.668	75%	0.746	S	S	*	*				109.7	128.1	123.8	-83.6	39.5	0	0	0	124.8
1406	D	35.2	Very low	31.5	Very low	109 Å²	109	148.6 Å²	148.6	58%	0.583	75%	0.746	S	S	*	*			trans	62.5	155.6	144.2	-63.3	-45.2	0	0	0	123.1
1407	K	33.1	Very low	31.5	Very low	171 Å²	171	143.6 Å²	143.6	74%	0.743	74%	0.741	S	S	*	*			cis	-164.8	128.9	-38.9	-115.2	-172.7	-162.6	97.3	0	112.9
1408	H	35.8	Very low	31.3	Very low	163 Å²	163	144.7 Å²	144.7	76%	0.755	74%	0.744	S	S	*	*			trans	32.4	133.9	147.5	-78.4	-54.3	0	0	0	128.4
1409	Q	29.6	Very low	31.2	Very low	162 Å²	162	144.5 Å²	144.5	76%	0.757	74%	0.743	S	S	*	*				78.8	167.2	129.5	-81.7	-154.5	35.4	0	0	122.9
1410	P	37.2	Very low	31	Very low	105 Å²	105	148.7 Å²	148.7	68%	0.682	75%	0.749	S	S	*	*			cis	-137.2	-129	-23.7	36.8	-11.3	0	0	0	117.8
1411	P	39.3	Very low	31	Very low	106 Å²	106	145.8 Å²	145.8	69%	0.688	74%	0.742	S	S	*	*				-147.8	-163	-124.7	47.6	-22.9	0	0	0	120.9
1412	M	27.6	Very low	31	Very low	155 Å²	155	141 Å²	141	76%	0.764	74%	0.744	S	S	*	*			trans	91	162	149.3	-70.4	-72.1	98.5	0	0	124
1413	N	27.2	Very low	31.1	Very low	121 Å²	121	140.1 Å²	140.1	65%	0.647	75%	0.749	S	S	*	*			trans	-80.3	167.8	-151.7	-39.5	-42.8	0	0	0	118.7
1414	D	33.2	Very low	30.8	Very low	163 Å²	163	143.5 Å²	143.5	87%	0.872	76%	0.758	S	S	*	*				176.9	-165.6	113.1	-93.6	-3.3	0	0	0	113.9
1415	D	29.7	Very low	30.7	Very low	151 Å²	151	142.1 Å²	142.1	81%	0.807	76%	0.758	S	S	*	*			trans	-119	148.4	-136.3	-140.1	-20.8	0	0	0	119.3
1416	S	27.5	Very low	30.9	Very low	96 Å²	96	140.6 Å²	140.6	67%	0.671	76%	0.755	S	S	*	*			trans	40.7	125.6	156.8	80	0	0	0	0	124.6
1417	S	27.3	Very low	30.6	Very low	96 Å²	96	139.5 Å²	139.5	67%	0.671	76%	0.756	S	S	*	*				153.9	153.1	99.2	68.4	0	0	0	0	117.5
1418	K	28.5	Very low	30.4	Very low	193 Å²	193	135.8 Å²	135.8	84%	0.839	74%	0.744	S	S	*	*			trans	76.5	132.2	160.2	-65.6	166.2	-176.2	164	0	121.8
1419	K	30.6	Very low	30.1	Very low	199 Å²	199	132.3 Å²	132.3	87%	0.865	73%	0.73	S	S	*	*			trans	75.8	123.3	154.9	-73.7	-178.8	177.2	176.5	0	121.9
1420	K	29.6	Very low	29.9	Very low	183 Å²	183	131.2 Å²	131.2	80%	0.796	73%	0.727	S	S	*	*			trans	65.3	117.2	142.3	-81.2	-169.4	169.2	-171.7	0	122.4
1421	L	27.8	Very low	29.3	Very low	149 Å²	149	130.9 Å²	130.9	78%	0.78	72%	0.718	S	S	*	*			trans	84	147.5	130.7	-67.3	170.1	0	0	0	121.7
1422	S	30	Very low	28.8	Very low	128 Å²	128	127.2 Å²	127.2	90%	0.895	70%	0.695	S	S	*	*			trans	66.3	152.4	-178.8	74.1	0	0	0	0	115.8
1423	S	28.9	Very low	28.9	Very low	122 Å²	122	127.2 Å²	127.2	85%	0.853	69%	0.691	S	S	*	*			trans	-135.6	141.7	-154.4	57.1	0	0	0	0	114.5
1424	E	27.5	Very low	28.8	Very low	180 Å²	180	128.4 Å²	128.4	84%	0.841	69%	0.692	S	S	*	*			trans	-98.5	154.1	-161.2	-45	174	79.1	0	0	117.6
1425	S	26.5	Very low	28.5	Very low	107 Å²	107	129.6 Å²	129.6	75%	0.748	69%	0.686	S	S	*	*				65.8	147.3	127.2	-72.3	0	0	0	0	123.7
1426	P	36.3	Very low	28.4	Very low	93 Å²	93	130.3 Å²	130.3	60%	0.604	68%	0.682	S	S	*	*			trans	-98.2	160	-170.6	39	-38.5	0	0	0	116.7	K1386	K1386-P1426 PolarHBondContact NZ-O 3.19Å
1427	S	29.8	Very low	28.4	Very low	86 Å²	86	133 Å²	133	60%	0.601	69%	0.689	S	S	*	*			trans	29.3	105.9	153.2	59.8	0	0	0	0	119	K1386	K1386-S1427 VanDerWaalsContact CD-O 3.31Å; K1386-S1427 WeakPolarHBondContact CD-O 3.49Å; K1386-S1427 WeakPolarHBondContact CE-O 3.36Å; K1386-S1427 PolarHBondContact NZ-O 3.27Å
1428	I	29	Very low	28.5	Very low	94 Å²	94	134.5 Å²	134.5	48%	0.482	69%	0.688	S	S	.	*				-153.5	-156.5	95.2	-92.7	151.6	0	0	0	104.9	R1385 K1386 F1387	R1385-I1428 WeakPolarHBondContact O-CG2 3.37Å; K1386-I1428 HydrophobicContact CB-CB 4.05Å; K1386-I1428 HydrophobicContact CB-CD1 4.39Å; K1386-I1428 HydrophobicContact CB-CG2 4.19Å; K1386-I1428 HydrophobicContact CD-CB 4.26Å; K1386-I1428 HydrophobicContact CD-CD1 4.29Å; K1386-I1428 HydrophobicContact CG-CB 4.15Å; K1386-I1428 HydrophobicContact CG-CD1 3.8Å; F1387-I1428 HydrophobicContact CD2-CD1 3.58Å; F1387-I1428 HydrophobicContact CE2-CD1 3.63Å
1429	L	28.4	Very low	28.3	Very low	89 Å²	89	131.3 Å²	131.3	47%	0.466	68%	0.675	S	S	.	*			trans	135.3	102.2	173.5	81.4	85	0	0	0	112.5	A1383 K1384	A1383-L1429 HydrophobicContact CB-CB 4.08Å; A1383-L1429 HydrophobicContact CB-CD1 4.4Å; K1384-L1429 HydrophobicContact CB-CD2 4.15Å; K1384-L1429 HydrophobicContact CD-CD2 4.3Å; K1384-L1429 HydrophobicContact CG-CD1 4.28Å; K1384-L1429 HydrophobicContact CG-CD2 4.04Å
1430	M	25.5	Very low	28	Very low	140 Å²	140	126.2 Å²	126.2	69%	0.69	66%	0.664	S	S	*	*			trans	-148.4	129	177.5	-159.5	-72.2	-62	0	0	115.3	A1383	A1383-M1430 WeakPolarHBondContact CA-O 3.33Å; A1383-M1430 VanDerWaalsContact CB-C 3.41Å; A1383-M1430 VanDerWaalsContact CB-N 3.28Å
1431	I	25.2	Very low	27.8	Very low	98 Å²	98	121.9 Å²	121.9	50%	0.503	66%	0.657	S	S	.	*			trans	148.2	161.3	165.5	-75.3	155.7	0	0	0	108.8	K1381 A1383	K1381-I1431 VanDerWaalsContact O-CG2 3.29Å; K1381-I1431 WeakPolarHBondContact O-CG2 3.18Å; A1383-I1431 PolarHBondContact N-O 3.48Å
1432	S	29.7	Very low	27.9	Very low	28 Å²	28	122 Å²	122	20%	0.196	66%	0.657	C	S	.	*			trans	36.5	114.4	-175.9	92.1	0	0	0	0	119.2	L1382	L1382-S1432 WeakPolarHBondContact CD1-OG 3.32Å; L1382-S1432 WeakPolarHBondContact CG-OG 3.07Å; L1382-S1432 VanDerWaalsContact N-CB 3.29Å; L1382-S1432 PolarHBondContact N-OG 2.93Å
1433	K	28.6	Very low	27.8	Very low	155 Å²	155	122.4 Å²	122.4	67%	0.674	65%	0.649	S	S	*	*				69.6	117	60.2	-62.9	170.4	-176.8	175.6	0	114.5
1434	E	26.1	Very low	27.9	Very low	147 Å²	147	122.3 Å²	122.3	69%	0.687	64%	0.639	S	S	*	*			trans	61.4	144.2	130.2	-50.1	167.4	139.2	0	0	118.4
1435	Y	25.4	Very low	28.2	Very low	188 Å²	188	119.1 Å²	119.1	74%	0.737	63%	0.628	S	S	*	*			cis	-143	-172.4	32.5	-126.9	-90.2	0	0	0	113.6
1436	K	27.8	Very low	28.6	Very low	165 Å²	165	120.2 Å²	120.2	72%	0.717	63%	0.625	S	S	*	*			trans	-85.2	155.3	-172.7	-52.9	165.1	-174.2	169.5	0	114.3
1437	N	28.9	Very low	28.8	Very low	153 Å²	153	124.3 Å²	124.3	82%	0.818	63%	0.633	S	S	*	*			trans	27.4	102.8	148.2	-64.3	12	0	0	0	118.3
1438	L	27.7	Very low	28.9	Very low	127 Å²	127	128.2 Å²	128.2	67%	0.665	64%	0.642	S	S	*	*			trans	-134.6	137.7	150.5	-69.6	-175.9	0	0	0	110.1	A444	A444-L1438 HydrophobicContact CB-CD2 3.66Å
1439	K	25.3	Very low	29	Very low	127 Å²	127	130.5 Å²	130.5	55%	0.552	65%	0.652	S	S	*	*			trans	-102.9	153	-169.9	-175.5	-164	-169.6	-178.6	0	111.2	A444 S445 S446	A444-K1439 VanDerWaalsContact C-N 3.35Å; A444-K1439 CarbonylContact C-O 3.57Å; A444-K1439 VanDerWaalsContact C-O 3.24Å; A444-K1439 PolarHBondContact N-O 3.09Å; S445-K1439 WeakPolarHBondContact O-CD 3.25Å; S446-K1439 PolarHBondContact O-NZ 2.72Å
1440	S	24.1	Very low	29.4	Very low	91 Å²	91	132.7 Å²	132.7	64%	0.636	66%	0.663	S	S	*	*			trans	63.4	153.9	167.2	71.3	0	0	0	0	115.5
1441	S	25.8	Very low	29.7	Very low	92 Å²	92	133.6 Å²	133.6	64%	0.643	67%	0.667	S	S	*	*			cis	-163.6	168.5	25.5	60	0	0	0	0	112.8
1442	L	29.2	Very low	30.4	Very low	151 Å²	151	134.8 Å²	134.8	79%	0.791	68%	0.675	S	S	*	*			trans	69	143.4	171.6	-83.1	88.4	0	0	0	115.2
1443	L	28.7	Very low	30.8	Very low	138 Å²	138	140 Å²	140	72%	0.723	70%	0.696	S	S	*	*			cis	-165.7	140.3	-8.8	-160.4	72.1	0	0	0	104.9
1444	N	30.7	Very low	31.4	Very low	120 Å²	120	140.5 Å²	140.5	64%	0.642	70%	0.701	S	S	*	*			cis	-148.5	-156.9	-5.1	-126.4	18	0	0	0	107.8
1445	D	34	Very low	31.7	Very low	113 Å²	113	141.3 Å²	141.3	60%	0.604	71%	0.705	S	S	*	*			cis	-150.8	159.3	0.5	-136.4	-44.8	0	0	0	111
1446	N	35.2	Very low	31.8	Very low	130 Å²	130	140 Å²	140	70%	0.695	71%	0.71	S	S	*	*			trans	54.2	134.6	169	-66.2	-60.2	0	0	0	118.8
1447	K	39.6	Very low	32.5	Very low	179 Å²	179	138.3 Å²	138.3	78%	0.778	71%	0.714	S	S	*	*			cis	-160.5	119.3	-8.5	-145.5	166.6	-178.3	178.2	0	105.4
1448	Q	33.2	Very low	32.6	Very low	168 Å²	168	139.5 Å²	139.5	79%	0.785	72%	0.715	S	S	*	*				54.5	138.5	83.6	-78.8	-163.2	45.3	0	0	115.4
1449	M	30.8	Very low	32.9	Very low	141 Å²	141	139.1 Å²	139.1	70%	0.695	72%	0.721	S	S	*	*			cis	-174.3	-178.8	-11.9	-156.9	167	65.6	0	0	109.8
1450	I	36.8	Very low	33	Very low	135 Å²	135	138.3 Å²	138.3	69%	0.692	73%	0.732	S	S	*	*			trans	79.6	138.8	161.1	-58.8	146.7	0	0	0	115.5
1451	M	31.7	Very low	33.2	Very low	159 Å²	159	141.1 Å²	141.1	78%	0.783	74%	0.739	S	S	*	*			cis	120.7	152.5	-2.3	-70.3	-97.7	-62.9	0	0	115
1452	N	38.9	Very low	33.6	Very low	123 Å²	123	140.5 Å²	140.5	66%	0.658	73%	0.734	S	S	*	*			trans	83.2	149.7	175.9	-63.5	25.9	0	0	0	116.2
1453	E	38	Very low	33.9	Very low	137 Å²	137	139.9 Å²	139.9	64%	0.64	73%	0.732	S	S	*	*			cis	-157.1	-176.8	-0.9	-125.3	166.4	119.9	0	0	113.8
1454	H	42.5	Very low	33.8	Very low	167 Å²	167	140.5 Å²	140.5	77%	0.773	74%	0.736	S	S	*	*			trans	70.4	135.3	176.1	-44.9	-69.4	0	0	0	117.5
1455	Q	32.5	Very low	33.5	Very low	164 Å²	164	139.9 Å²	139.9	77%	0.766	74%	0.741	S	S	*	*			cis	101.2	61.7	17.2	-62.8	-157.8	33.5	0	0	118.4
1456	N	26.7	Very low	33.1	Very low	160 Å²	160	140.9 Å²	140.9	86%	0.856	75%	0.75	S	S	*	*				-152	134.7	128.1	-101.4	-35.4	0	0	0	109.1	E1458	N1456-E1458 PolarHBondContact O-N 2.79Å; N1456-E1458 VanDerWaalsContact O-N 3.13Å
1457	T	42.4	Very low	33	Very low	129 Å²	129	141.2 Å²	141.2	79%	0.791	75%	0.751	S	S	*	*				-100.6	34.6	-119.3	65	0	0	0	0	116.3
1458	E	30.6	Very low	32.6	Very low	179 Å²	179	139.3 Å²	139.3	84%	0.836	75%	0.748	S	S	*	*			trans	-107	-172.6	-147.3	-62.2	-153.4	147.1	0	0	118.2	N1456	N1456-E1458 PolarHBondContact O-N 2.79Å; N1456-E1458 VanDerWaalsContact O-N 3.13Å
1459	C	34.1	Very low	32.8	Very low	118 Å²	118	139.6 Å²	139.6	80%	0.797	75%	0.746	S	S	*	*			trans	-75.7	174.8	179.2	-64.3	0	0	0	0	112.5
1460	S	27.8	Very low	32.6	Very low	111 Å²	111	138.4 Å²	138.4	78%	0.776	75%	0.747	S	S	*	*			trans	82.7	159.9	171.2	86.8	0	0	0	0	117.3
1461	L	28.6	Very low	32.3	Very low	150 Å²	150	137.9 Å²	137.9	79%	0.785	75%	0.745	S	S	*	*			trans	27.5	107.1	157.7	-72.5	168.3	0	0	0	121.9
1462	S	33.6	Very low	32.2	Very low	78 Å²	78	137.7 Å²	137.7	55%	0.545	74%	0.743	S	S	.	*				69.1	159.5	111.9	81.5	0	0	0	0	123.8
1463	N	36.2	Very low	31.7	Very low	139 Å²	139	136 Å²	136	74%	0.743	73%	0.731	S	S	*	*			trans	69.5	-179.1	145.5	-62.1	-8.4	0	0	0	119.9
1464	N	25.2	Very low	31.5	Very low	151 Å²	151	132.8 Å²	132.8	81%	0.807	72%	0.718	S	S	*	*			trans	80.6	143.3	168.3	-55.8	-14.2	0	0	0	117.5
1465	S	26	Very low	30.9	Very low	107 Å²	107	130.2 Å²	130.2	75%	0.748	71%	0.705	S	S	*	*			cis	-165.3	151.4	-17.2	48.3	0	0	0	0	112.6
1466	V	25	Very low	30.4	Very low	133 Å²	133	124.9 Å²	124.9	81%	0.806	69%	0.685	S	S	*	*	S	Bend	trans	-154.9	121.7	160.4	174.1	0	0	0	0	104.2
1467	I	33.2	Very low	30.4	Very low	138 Å²	138	123.8 Å²	123.8	71%	0.708	68%	0.678	S	S	*	*			cis	-145.6	132.6	4.2	-124.5	165.8	0	0	0	110
1468	I	31.3	Very low	29.7	Very low	139 Å²	139	123.9 Å²	123.9	71%	0.713	68%	0.681	S	S	*	*			trans	48	140.9	138.9	-59.7	170.8	0	0	0	121.6
1469	K	37.7	Very low	29.4	Very low	173 Å²	173	119.5 Å²	119.5	75%	0.752	67%	0.67	S	S	*	*			trans	82	127.5	171.1	-81.9	169.2	-178.5	-159.2	0	116.1
1470	V	26.8	Very low	28.9	Very low	117 Å²	117	121.4 Å²	121.4	71%	0.709	67%	0.672	S	S	*	*			cis	76.7	135.8	24	-166.5	0	0	0	0	112.8
1471	D	29.3	Very low	28.8	Very low	123 Å²	123	125.3 Å²	125.3	66%	0.658	68%	0.678	S	S	*	*			trans	66	144.8	-170.6	-37.3	-46.3	0	0	0	112.3
1472	E	30.4	Very low	29.1	Very low	156 Å²	156	126.8 Å²	126.8	73%	0.729	68%	0.678	S	S	*	*			cis	-167.9	155.4	-14.5	-118.4	170	169.1	0	0	107.1
1473	E	28.2	Very low	28.9	Very low	88 Å²	88	128.6 Å²	128.6	41%	0.411	69%	0.688	S	S	.	*			trans	69.9	134.9	144.5	-75.9	-167.2	-171.5	0	0	124.6	N1819 E1820	E1473-N1819 VanDerWaalsContact CD-ND2 3.3Å; E1473-N1819 WeakPolarHBondContact CG-ND2 3.48Å; E1473-N1819 PolarHBondContact OE1-ND2 2.69Å; E1473-N1819 PolarHBondContact OE1-OD1 3.15Å; E1473-N1819 PolarHBondContact OE2-OD1 3.19Å; E1473-E1820 PolarHBondContact N-OE2 2.86Å
1474	N	32.6	Very low	28.4	Very low	68 Å²	68	130.4 Å²	130.4	36%	0.364	69%	0.692	S	S	.	*			trans	65.8	147	143.4	-73.4	-52.4	0	0	0	120.5	N1819	N1474-N1819 PolarHBondContact ND2-OD1 3Å; N1474-N1819 WeakPolarHBondContact OD1-CA 3.2Å
1475	K	29.9	Very low	28.6	Very low	114 Å²	114	132.1 Å²	132.1	50%	0.496	69%	0.693	S	S	.	*			cis	-157.1	145.2	-28.4	-168.9	124.8	175.3	-174.1	0	106.9	D1818 N1819 E1820	K1475-D1818 PolarHBondContact NZ-O 3.38Å; K1475-N1819 PolarHBondContact NZ-O 2.79Å; K1475-E1820 VanDerWaalsContact CD-O 3.23Å; K1475-E1820 WeakPolarHBondContact CD-O 3.27Å; K1475-E1820 WeakPolarHBondContact CG-O 3.43Å
1476	S	23.7	Very low	28.9	Very low	51 Å²	51	132 Å²	132	36%	0.357	69%	0.691	S	S	.	*			trans	-34.8	158.9	175	61.7	0	0	0	0	119
1477	I	25.1	Very low	29.4	Very low	137 Å²	137	132.1 Å²	132.1	70%	0.703	69%	0.686	S	S	*	*			trans	78.7	121.9	152.8	-68.1	154.4	0	0	0	115.3
1478	P	28.9	Very low	29.6	Very low	132 Å²	132	132 Å²	132	86%	0.857	69%	0.692	S	S	*	*				-118	124.3	90.7	34.5	-33.2	0	0	0	114.3
1479	S	24.3	Very low	29.5	Very low	86 Å²	86	134.4 Å²	134.4	60%	0.601	70%	0.697	S	S	*	*			trans	-73.4	165.6	158	50	0	0	0	0	110.1
1480	N	23.8	Very low	29.1	Very low	159 Å²	159	137.2 Å²	137.2	85%	0.85	70%	0.703	S	S	*	*			trans	-0.5	117.6	162	-65.2	-53.8	0	0	0	117.1
1481	E	25.7	Very low	29.7	Very low	192 Å²	192	138.9 Å²	138.9	90%	0.897	71%	0.708	S	S	*	*				-151.1	151.5	114.7	-123.7	173	-162.5	0	0	113.9
1482	K	34.3	Very low	29.8	Very low	181 Å²	181	140.6 Å²	140.6	79%	0.787	71%	0.706	S	S	*	*			trans	-73.9	163.9	164.8	-61.9	170.7	-177.6	170.8	0	107.9
1483	P	28.7	Very low	29.8	Very low	116 Å²	116	137.6 Å²	137.6	75%	0.753	70%	0.699	S	S	*	*				-135.8	138.7	111.6	34.1	-25.2	0	0	0	113.9
1484	Q	26.9	Very low	29.9	Very low	177 Å²	177	142.7 Å²	142.7	83%	0.827	72%	0.72	S	S	*	*			trans	-72.5	132.1	147	-68	178.6	-89.5	0	0	108.2
1485	K	28.3	Very low	30	Very low	188 Å²	188	146.4 Å²	146.4	82%	0.817	74%	0.735	S	S	*	*			trans	-98.9	146.8	140.3	-63.7	178.1	-178.8	177.3	0	105.3
1486	S	33.6	Very low	30.4	Very low	103 Å²	103	149.7 Å²	149.7	72%	0.72	75%	0.75	S	S	*	*			cis	-115.1	155.3	15.4	54.2	0	0	0	0	111.1
1487	I	33.9	Very low	30.7	Very low	136 Å²	136	150.6 Å²	150.6	70%	0.697	77%	0.767	S	S	*	*				59.1	115.5	57.5	-54.2	161.5	0	0	0	108.8
1488	T	38.9	Very low	31	Very low	136 Å²	136	148.8 Å²	148.8	83%	0.834	77%	0.773	S	S	*	*			cis	-137.7	-163	18.2	-28.5	0	0	0	0	112.8
1489	K	28.6	Very low	31.1	Very low	190 Å²	190	149.3 Å²	149.3	83%	0.826	77%	0.768	S	S	*	*			trans	-109.9	160.4	-162.7	-57.4	175.1	179	172.5	0	115.4
1490	R	29	Very low	31.5	Very low	231 Å²	231	151.8 Å²	151.8	87%	0.872	77%	0.773	S	S	*	*			trans	94.5	152.6	153.8	-71.5	178.6	170.7	147.6	-4.3	120
1491	N	39.7	Very low	31.8	Very low	153 Å²	153	148.7 Å²	148.7	82%	0.818	76%	0.764	S	S	*	*			trans	82.4	95.7	169	-62.1	-9.5	0	0	0	119.9
1492	R	31.1	Very low	32	Very low	159 Å²	159	144.5 Å²	144.5	60%	0.6	76%	0.756	S	S	*	*				20.4	155.1	122.8	-79.7	-164.1	-166.8	151	4.3	119.4	D1514	R1492-D1514 IonicContact CZ-OD1 2.74Å; R1492-D1514 VanDerWaalsContact CZ-OD1 3.27Å; R1492-D1514 IonicContact CZ-OD2 3.87Å; R1492-D1514 IonicContact NE-OD1 2.65Å; R1492-D1514 PolarHBondContact NE-OD1 3.15Å; R1492-D1514 VanDerWaalsContact NE-OD1 3.16Å; R1492-D1514 IonicContact NE-OD2 2.79Å; R1492-D1514 IonicContact NH2-OD1 2.76Å; R1492-D1514 PolarHBondContact NH2-OD1 3.39Å; R1492-D1514 IonicContact NH2-OD2 2.66Å; R1492-D1514 PolarHBondContact NH2-OD2 3.13Å
1493	P	31.4	Very low	31.7	Very low	92 Å²	92	143.5 Å²	143.5	60%	0.597	75%	0.748	S	S	*	*			cis	-143.9	-171.1	-43.5	37.8	-17.4	0	0	0	112.8
1494	K	29.1	Very low	31.6	Very low	196 Å²	196	146.1 Å²	146.1	85%	0.852	74%	0.743	S	S	*	*			trans	74.7	141.5	169.5	-52.1	160.1	-176.1	175.8	0	114.1
1495	E	36.1	Very low	31.6	Very low	145 Å²	145	140.9 Å²	140.9	68%	0.678	72%	0.72	S	S	*	*			cis	-128.1	156.6	4	-70.8	-165.1	95.1	0	0	113.3
1496	K	37.4	Very low	31.5	Very low	183 Å²	183	137 Å²	137	80%	0.796	71%	0.705	S	S	*	*			trans	24.1	125.3	143.8	-53.6	155.2	-174.6	161.4	0	117.7
1497	G	31.1	Very low	31.3	Very low	70 Å²	70	141 Å²	141	72%	0.722	71%	0.71	S	S	*	*			cis	127	103.5	18.3	0	0	0	0	0	109
1498	A	30.1	Very low	31.1	Very low	100 Å²	100	139.5 Å²	139.5	83%	0.826	70%	0.698	S	S	*	*				59.3	95.4	93.8	0	0	0	0	0	111.7
1499	D	31.1	Very low	30.8	Very low	142 Å²	142	139.5 Å²	139.5	76%	0.759	69%	0.692	S	S	*	*			cis	71.8	141.3	43.9	-156.8	22.2	0	0	0	115
1500	I	33.1	Very low	30.7	Very low	138 Å²	138	136.7 Å²	136.7	71%	0.708	69%	0.687	S	S	*	*			trans	66.3	133.1	172.8	-55.3	137.2	0	0	0	118.2
1501	S	30.8	Very low	30.8	Very low	94 Å²	94	133 Å²	133	66%	0.657	68%	0.684	S	S	*	*			trans	-156.5	93.5	146.7	169.3	0	0	0	0	112.9
1502	S	28.2	Very low	30.5	Very low	104 Å²	104	130.6 Å²	130.6	73%	0.727	68%	0.675	S	S	*	*			trans	-109.9	99.6	137.8	48.6	0	0	0	0	107.9	R1504	S1502-R1504 PolarHBondContact O-N 3.03Å
1503	Y	27.7	Very low	30.7	Very low	160 Å²	160	128.3 Å²	128.3	63%	0.627	68%	0.679	S	S	*	*			trans	-71.8	97.3	-178.1	-109.3	-86.6	0	0	0	111.2	L1505 M1536	Y1503-L1505 HydrophobicContact CD1-CG 4.32Å; Y1503-L1505 HydrophobicContact CE1-CD1 4.19Å; Y1503-L1505 HydrophobicContact CE1-CG 4.24Å; Y1503-M1536 WeakPolarHBondContact O-CE 3.46Å
1504	R	28.6	Very low	30.5	Very low	172 Å²	172	128.8 Å²	128.8	65%	0.649	68%	0.677	S	S	*	*			trans	-136.4	85.6	146	-165	145.6	-154	-156.5	-1.3	110.9	S1502 S1535 M1536	S1502-R1504 PolarHBondContact O-N 3.03Å; R1504-S1535 VanDerWaalsContact NE-CB 3.25Å; R1504-S1535 PolarHBondContact NH2-OG 2.87Å; R1504-M1536 HydrophobicContact CB-SD 4.07Å; R1504-M1536 HydrophobicContact CG-SD 3.55Å; R1504-M1536 VanDerWaalsContact CG-SD 3.55Å
1505	L	25.8	Very low	30.8	Very low	66 Å²	66	123.5 Å²	123.5	35%	0.346	66%	0.661	S	S	.	*			trans	-49.9	154.6	151.7	-67.7	-172.4	0	0	0	108.6	Y1503 S1535 M1536	Y1503-L1505 HydrophobicContact CD1-CG 4.32Å; Y1503-L1505 HydrophobicContact CE1-CD1 4.19Å; Y1503-L1505 HydrophobicContact CE1-CG 4.24Å; L1505-S1535 CarbonylContact O-C 3.59Å; L1505-S1535 VanDerWaalsContact O-CA 3.26Å; L1505-S1535 WeakPolarHBondContact O-CA 3.47Å; L1505-M1536 PolarHBondContact O-N 2.89Å
1506	Q	25.9	Very low	30.6	Very low	107 Å²	107	124.1 Å²	124.1	50%	0.5	67%	0.668	S	S	.	*				-140.2	167.5	51.7	-102.7	-148.9	89	0	0	113.3	S1535 M1536	Q1506-S1535 PolarHBondContact NE2-O 2.97Å; Q1506-M1536 VanDerWaalsContact CG-O 3.27Å; Q1506-M1536 WeakPolarHBondContact CG-O 3.25Å
1507	K	29.4	Very low	30.3	Very low	188 Å²	188	121.8 Å²	121.8	82%	0.817	66%	0.66	S	S	*	*	S	Bend	cis	-79.2	153	14.6	-87.6	175.4	176.4	171.3	0	117
1508	K	29.9	Very low	30.3	Very low	103 Å²	103	128 Å²	128	45%	0.448	66%	0.662	S	S	.	*			trans	-62.6	164.4	164.4	-100.2	179.7	177.1	178.1	0	111.5
1509	L	32.6	Very low	30.4	Very low	136 Å²	136	126.2 Å²	126.2	71%	0.712	65%	0.652	S	S	*	*			trans	69.4	93.7	159.8	-65.8	160.2	0	0	0	116.8
1510	N	26.1	Very low	30.5	Very low	132 Å²	132	126.6 Å²	126.6	71%	0.706	65%	0.654	S	S	*	*				20	121	106.8	-52.9	2.3	0	0	0	116.3
1511	N	30.9	Very low	30.5	Very low	152 Å²	152	125.5 Å²	125.5	81%	0.813	65%	0.654	S	S	*	*			trans	-169.8	146.1	151.2	-99.1	-5.4	0	0	0	107.5
1512	T	34.4	Very low	30.5	Very low	104 Å²	104	126.5 Å²	126.5	64%	0.638	66%	0.656	S	S	*	*			cis	-169.5	140.2	-12.4	10.2	0	0	0	0	108.8
1513	T	35.5	Very low	30.6	Very low	110 Å²	110	130.9 Å²	130.9	68%	0.675	66%	0.662	S	S	*	*	S	Bend	trans	-158.7	117.9	140.9	50.1	0	0	0	0	104.3
1514	D	27.4	Very low	30.7	Very low	103 Å²	103	128.1 Å²	128.1	55%	0.551	67%	0.667	S	S	*	*	S	Bend	cis	-130.7	117.4	38.2	-73.1	-22.1	0	0	0	110.7	R1492	R1492-D1514 IonicContact CZ-OD1 2.74Å; R1492-D1514 VanDerWaalsContact CZ-OD1 3.27Å; R1492-D1514 IonicContact CZ-OD2 3.87Å; R1492-D1514 IonicContact NE-OD1 2.65Å; R1492-D1514 PolarHBondContact NE-OD1 3.15Å; R1492-D1514 VanDerWaalsContact NE-OD1 3.16Å; R1492-D1514 IonicContact NE-OD2 2.79Å; R1492-D1514 IonicContact NH2-OD1 2.76Å; R1492-D1514 PolarHBondContact NH2-OD1 3.39Å; R1492-D1514 IonicContact NH2-OD2 2.66Å; R1492-D1514 PolarHBondContact NH2-OD2 3.13Å
1515	T	33.9	Very low	30.8	Very low	85 Å²	85	126 Å²	126	52%	0.521	67%	0.673	S	S	.	*				88.8	125.5	70.5	59.8	0	0	0	0	114.2
1516	L	32.7	Very low	30.9	Very low	157 Å²	157	127.4 Å²	127.4	82%	0.822	69%	0.687	S	S	*	*			trans	70.2	127.8	154.4	-66.4	164.7	0	0	0	115.2
1517	E	31.3	Very low	30.9	Very low	134 Å²	134	130.2 Å²	130.2	63%	0.626	70%	0.702	S	S	*	*			cis	-151.8	-176.5	3.7	-46.8	-172.2	78.1	0	0	109.6
1518	R	31.2	Very low	30.8	Very low	202 Å²	202	129.9 Å²	129.9	76%	0.762	70%	0.704	S	S	*	*			cis	-158.1	149	-4.6	-147.5	178.4	-80	162.3	-1.9	109.3
1519	G	33.1	Very low	30.6	Very low	61 Å²	61	133 Å²	133	63%	0.629	72%	0.72	S	S	*	*			trans	70.8	159.8	159.5	0	0	0	0	0	119.4
1520	D	32.8	Very low	30.6	Very low	150 Å²	150	136 Å²	136	80%	0.802	73%	0.727	S	S	*	*			cis	-159.5	165.2	-17	-99.9	-46.1	0	0	0	111.8
1521	T	32	Very low	30.5	Very low	115 Å²	115	137.8 Å²	137.8	71%	0.706	74%	0.736	S	S	*	*			trans	12.6	140.9	156.2	60.6	0	0	0	0	121.1
1522	T	31.5	Very low	30.4	Very low	115 Å²	115	136.2 Å²	136.2	71%	0.706	74%	0.737	S	S	*	*			cis	-170.9	167.6	8.7	11.9	0	0	0	0	111.3
1523	K	31	Very low	29.9	Very low	196 Å²	196	138.4 Å²	138.4	85%	0.852	75%	0.745	S	S	*	*			trans	23.1	135	148	-57.4	172.9	-178.4	178.4	0	119.4
1524	S	28.6	Very low	29.9	Very low	103 Å²	103	137.4 Å²	137.4	72%	0.72	74%	0.74	S	S	*	*			cis	-163.6	-148.1	-3.8	43.4	0	0	0	0	107.8
1525	T	30.7	Very low	29.8	Very low	126 Å²	126	134.1 Å²	134.1	77%	0.773	73%	0.725	S	S	*	*			cis	-161.6	177.3	10.5	-24.1	0	0	0	0	110.9
1526	C	27.5	Very low	29.5	Very low	97 Å²	97	133.2 Å²	133.2	66%	0.655	72%	0.716	S	S	*	*			trans	-50.5	161.5	165.1	-61.6	0	0	0	0	116.1
1527	M	26	Very low	29.2	Very low	166 Å²	166	127.2 Å²	127.2	82%	0.818	69%	0.687	S	S	*	*			cis	-140.9	-176.8	-8	-97.1	-22.2	-180	0	0	106.5
1528	E	28.3	Very low	29.1	Very low	181 Å²	181	126 Å²	126	85%	0.846	69%	0.689	S	S	*	*			cis	-162.3	-166.4	35.9	-157.9	162.4	-128.4	0	0	111.6
1529	E	24.4	Very low	29.1	Very low	167 Å²	167	120.5 Å²	120.5	78%	0.78	68%	0.681	S	S	*	*			trans	-71.7	140.6	-161.6	-52.5	-175.4	129.2	0	0	117.7
1530	K	32.9	Very low	29.2	Very low	199 Å²	199	124 Å²	124	87%	0.865	69%	0.691	S	S	*	*				-173.9	150.6	104.7	-99.6	162	-175.4	169.4	0	113.3
1531	L	25.6	Very low	29.1	Very low	171 Å²	171	122.7 Å²	122.7	90%	0.895	69%	0.692	S	S	*	*			trans	-84.4	124.4	-177.8	-76.9	159.5	0	0	0	112.6
1532	S	27.9	Very low	29	Very low	119 Å²	119	122.8 Å²	122.8	83%	0.832	70%	0.697	S	S	*	*			trans	-176.5	136.3	149.1	-81.2	0	0	0	0	112.9
1533	D	24.3	Very low	28.9	Very low	150 Å²	150	123.3 Å²	123.3	80%	0.802	71%	0.705	S	S	*	*			trans	9.1	163.1	130.2	-86.7	12.5	0	0	0	122.3
1534	P	35.5	Very low	28.9	Very low	89 Å²	89	117.5 Å²	117.5	58%	0.578	70%	0.702	S	S	*	*			cis	-149.5	174.5	-31.3	41.9	-23.8	0	0	0	116.8
1535	S	25.1	Very low	29.2	Very low	34 Å²	34	118.6 Å²	118.6	24%	0.238	71%	0.709	C	S	.	*			trans	91.7	151.9	133.4	82.3	0	0	0	0	127.2	R1504 L1505 Q1506	R1504-S1535 VanDerWaalsContact NE-CB 3.25Å; R1504-S1535 PolarHBondContact NH2-OG 2.87Å; L1505-S1535 CarbonylContact O-C 3.59Å; L1505-S1535 VanDerWaalsContact O-CA 3.26Å; L1505-S1535 WeakPolarHBondContact O-CA 3.47Å; Q1506-S1535 PolarHBondContact NE2-O 2.97Å
1536	M	26.5	Very low	29.2	Very low	65 Å²	65	118.1 Å²	118.1	32%	0.32	71%	0.711	S	S	.	*			trans	73.3	149.6	158.3	-61.6	-50.4	-36.8	0	0	124.8	Y1503 R1504 L1505 Q1506	Y1503-M1536 WeakPolarHBondContact O-CE 3.46Å; R1504-M1536 HydrophobicContact CB-SD 4.07Å; R1504-M1536 HydrophobicContact CG-SD 3.55Å; R1504-M1536 VanDerWaalsContact CG-SD 3.55Å; L1505-M1536 PolarHBondContact O-N 2.89Å; Q1506-M1536 VanDerWaalsContact CG-O 3.27Å; Q1506-M1536 WeakPolarHBondContact CG-O 3.25Å
1537	S	27.6	Very low	29.5	Very low	31 Å²	31	117.1 Å²	117.1	22%	0.217	72%	0.717	C	S	.	*			trans	-76.9	-176.1	-177.8	49.3	0	0	0	0	112.3
1538	T	28.4	Very low	29.8	Very low	110 Å²	110	113.8 Å²	113.8	68%	0.675	72%	0.716	S	S	*	*			cis	-151.4	177.2	29.8	51.4	0	0	0	0	112.3
1539	S	32.3	Very low	29.9	Very low	85 Å²	85	111.5 Å²	111.5	59%	0.594	71%	0.714	S	S	*	*			trans	-172.9	148.3	165.5	53.2	0	0	0	0	111.3
1540	T	34.5	Very low	30.2	Very low	135 Å²	135	111.3 Å²	111.3	83%	0.828	72%	0.718	S	S	*	*			cis	-175.6	143.4	-19.1	30.1	0	0	0	0	108.7
1541	C	30.3	Very low	30.2	Very low	122 Å²	122	110.6 Å²	110.6	82%	0.824	72%	0.715	S	S	*	*	S	Bend	trans	-164.8	127.3	143.9	56.2	0	0	0	0	109.7
1542	S	31.1	Very low	30.5	Very low	118 Å²	118	111.6 Å²	111.6	83%	0.825	71%	0.712	S	S	*	*			cis	-141.3	162.4	-9.6	-76	0	0	0	0	110.7
1543	S	28.2	Very low	30.5	Very low	125 Å²	125	111.4 Å²	111.4	87%	0.874	71%	0.705	S	S	*	*			trans	-70.3	145.1	-167.2	49.5	0	0	0	0	115.7
1544	G	32	Very low	30.7	Very low	75 Å²	75	111.1 Å²	111.1	77%	0.773	70%	0.704	S	S	*	*			trans	-146.7	87.4	169.2	0	0	0	0	0	112.7
1545	S	34.5	Very low	30.2	Very low	126 Å²	126	115.5 Å²	115.5	88%	0.881	72%	0.717	S	S	*	*			trans	67.3	174.4	175.1	-151.6	0	0	0	0	117.6
1546	S	30.3	Very low	30.3	Very low	115 Å²	115	120.7 Å²	120.7	80%	0.804	74%	0.737	S	S	*	*			trans	-153.1	145.4	-154.5	53.5	0	0	0	0	114.3
1547	G	33.8	Very low	30.3	Very low	77 Å²	77	124.4 Å²	124.4	79%	0.794	75%	0.752	S	S	*	*			trans	-171.9	154.8	173.2	0	0	0	0	0	115.2
1548	A	32.5	Very low	30.2	Very low	96 Å²	96	129.3 Å²	129.3	79%	0.793	77%	0.774	S	S	*	*			trans	-63.5	148.1	176.6	0	0	0	0	0	112.4
1549	V	29.3	Very low	29.9	Very low	132 Å²	132	129 Å²	129	80%	0.8	77%	0.768	S	S	*	*			cis	76	98.9	46.2	179.1	0	0	0	0	114.3
1550	L	32.3	Very low	29.6	Very low	164 Å²	164	131.1 Å²	131.1	86%	0.859	77%	0.771	S	S	*	*			trans	-171.7	161	137.1	-104.3	161.3	0	0	0	114.3
1551	K	32.1	Very low	29.2	Very low	184 Å²	184	131.7 Å²	131.7	80%	0.8	76%	0.762	S	S	*	*			trans	-81.7	173.9	-156.3	-60.8	165	175.9	175.5	0	117.5
1552	K	31.2	Very low	29.4	Very low	191 Å²	191	129 Å²	129	83%	0.83	75%	0.745	S	S	*	*			trans	83.8	137.6	154.4	-79.5	-171	173.9	-167.7	0	117.6
1553	V	29.2	Very low	29.8	Very low	116 Å²	116	129.6 Å²	129.6	70%	0.703	75%	0.746	S	S	*	*			cis	74.3	107.6	27.4	-176.2	0	0	0	0	111.7
1554	D	28.5	Very low	29.6	Very low	144 Å²	144	127.3 Å²	127.3	77%	0.77	72%	0.724	S	S	*	*			cis	-137.7	177.4	18.2	-86	-51.6	0	0	0	113
1555	E	24.3	Very low	29.3	Very low	181 Å²	181	132 Å²	132	85%	0.846	72%	0.723	S	S	*	*			trans	22.2	171.9	157.1	-66.1	-152.7	150.5	0	0	124.2
1556	E	28.2	Very low	29.1	Very low	143 Å²	143	133.5 Å²	133.5	67%	0.668	72%	0.72	S	S	*	*			trans	73.6	129.1	174.1	-76.1	-106.5	111.5	0	0	119
1557	K	25.7	Very low	29.3	Very low	143 Å²	143	134.3 Å²	134.3	62%	0.622	72%	0.715	S	S	*	*			trans	42.9	126.2	133.2	-69.2	-170.5	-177.1	96.7	0	121.8
1558	I	24.6	Very low	29.3	Very low	133 Å²	133	135.7 Å²	135.7	68%	0.682	71%	0.708	S	S	*	*				76.7	157.1	125.2	-65.9	176	0	0	0	117.4
1559	N	23.8	Very low	29.2	Very low	103 Å²	103	139.9 Å²	139.9	55%	0.551	71%	0.708	S	S	*	*			trans	61.4	98.9	169.4	-82.6	-30.5	0	0	0	114.3	K1561	N1559-K1561 PolarHBondContact OD1-NZ 3.25Å
1560	I	24.5	Very low	29.3	Very low	130 Å²	130	143 Å²	143	67%	0.667	71%	0.711	S	S	*	*				45.4	115.2	54.5	-33.3	155.1	0	0	0	109.3
1561	K	26.7	Very low	29.1	Very low	147 Å²	147	139.9 Å²	139.9	64%	0.639	70%	0.703	S	S	*	*				-179.8	115.1	110.6	-112.9	105.1	-167.2	174.1	0	110.7	N1559	N1559-K1561 PolarHBondContact OD1-NZ 3.25Å
1562	S	33.6	Very low	29	Very low	65 Å²	65	136.2 Å²	136.2	46%	0.455	70%	0.7	S	S	.	*				66.7	175.5	111.9	-58	0	0	0	0	118.3	D1564	S1562-D1564 VanDerWaalsContact CB-OD2 3.29Å; S1562-D1564 WeakPolarHBondContact CB-OD2 3.2Å; S1562-D1564 PolarHBondContact OG-OD2 3.41Å
1563	P	41.2	Very low	28.8	Very low	131 Å²	131	135.5 Å²	135.5	85%	0.851	70%	0.697	S	S	*	*			cis	-52.9	127.9	1.7	-24	35.6	0	0	0	111.9
1564	D	23.1	Very low	29	Very low	77 Å²	77	135.7 Å²	135.7	41%	0.412	70%	0.704	S	S	.	*			cis	48.7	125.3	45	-94.3	-70.2	0	0	0	114.5	S1562	S1562-D1564 VanDerWaalsContact CB-OD2 3.29Å; S1562-D1564 WeakPolarHBondContact CB-OD2 3.2Å; S1562-D1564 PolarHBondContact OG-OD2 3.41Å
1565	K	26.8	Very low	29	Very low	174 Å²	174	133.8 Å²	133.8	76%	0.757	70%	0.698	S	S	*	*			trans	43.6	119.3	145.6	-57.8	170.9	-176.7	97.2	0	117.9
1566	L	30.4	Very low	29.4	Very low	158 Å²	158	133.8 Å²	133.8	83%	0.827	70%	0.7	S	S	*	*				-168.1	160.5	123.9	-107.1	162.4	0	0	0	111.8
1567	L	33.9	Very low	29.9	Very low	132 Å²	132	130 Å²	130	69%	0.691	70%	0.699	S	S	*	*			trans	57.9	96.9	161.6	-59.3	166.2	0	0	0	116.5
1568	T	32.6	Very low	30.1	Very low	105 Å²	105	128 Å²	128	64%	0.644	70%	0.703	S	S	*	*				72.6	148.3	63.5	75	0	0	0	0	116.2
1569	K	31.7	Very low	30.3	Very low	185 Å²	185	130.4 Å²	130.4	80%	0.804	71%	0.711	S	S	*	*			trans	79	129.3	157.3	-68.9	163	-178.7	173.1	0	117.4
1570	K	32	Very low	30.7	Very low	197 Å²	197	134.7 Å²	134.7	86%	0.857	73%	0.728	S	S	*	*			trans	69.3	119.1	169.9	-58.4	178.6	-178.8	-179.1	0	114.1
1571	S	28	Very low	30.9	Very low	98 Å²	98	132.5 Å²	132.5	69%	0.685	73%	0.729	S	S	*	*			cis	73.2	136.3	34.8	90.8	0	0	0	0	115.1
1572	S	29.7	Very low	31	Very low	107 Å²	107	134.4 Å²	134.4	75%	0.748	74%	0.738	S	S	*	*			trans	74	124.1	164.1	-51.5	0	0	0	0	115.8
1573	K	27.1	Very low	30.9	Very low	176 Å²	176	137.1 Å²	137.1	77%	0.765	75%	0.752	S	S	*	*			cis	79.7	104.4	38.3	-171	-172.9	178.8	178.8	0	112.9
1574	S	32.5	Very low	30.5	Very low	120 Å²	120	136.3 Å²	136.3	84%	0.839	75%	0.745	S	S	*	*			trans	-130.8	61.3	142.9	63.9	0	0	0	0	109.4
1575	T	28.6	Very low	30.8	Very low	105 Å²	105	141.4 Å²	141.4	64%	0.644	76%	0.763	S	S	*	*			trans	-68.6	128.2	165.1	-48.5	0	0	0	0	109
1576	M	32.4	Very low	30.9	Very low	181 Å²	181	141.8 Å²	141.8	89%	0.892	76%	0.761	S	S	*	*			trans	-143.9	139	168.5	-81.3	-64.5	-71.6	0	0	108.6
1577	G	38.7	Very low	30.8	Very low	62 Å²	62	139.2 Å²	139.2	64%	0.639	75%	0.748	S	S	*	*			trans	82.1	68.9	-174.6	0	0	0	0	0	113.1
1578	S	30.7	Very low	30.6	Very low	101 Å²	101	139.8 Å²	139.8	71%	0.706	75%	0.752	S	S	*	*				45.6	108.7	68.3	74.7	0	0	0	0	112.6
1579	E	28.9	Very low	30.5	Very low	185 Å²	185	141.7 Å²	141.7	86%	0.864	76%	0.758	S	S	*	*				58.7	102.1	53.1	-64.2	-161.2	127.7	0	0	115.5
1580	Q	32.7	Very low	30.8	Very low	192 Å²	192	137.9 Å²	137.9	90%	0.897	75%	0.752	S	S	*	*			trans	-145.8	124.2	148.2	-61.9	-173.4	0.5	0	0	105.8
1581	A	26.8	Very low	30.4	Very low	85 Å²	85	134.6 Å²	134.6	70%	0.702	75%	0.749	S	S	*	*			cis	101.1	129.9	13.1	0	0	0	0	0	115.7
1582	K	29.9	Very low	30.4	Very low	186 Å²	186	137.9 Å²	137.9	81%	0.809	76%	0.758	S	S	*	*			trans	71.2	150.9	172.5	-52.6	170.4	-178.6	173.6	0	114.6
1583	T	31.6	Very low	30	Very low	123 Å²	123	140.6 Å²	140.6	76%	0.755	76%	0.758	S	S	*	*			cis	-124.5	164.3	-7.2	51.4	0	0	0	0	108.9
1584	T	32.5	Very low	29.9	Very low	114 Å²	114	139.8 Å²	139.8	70%	0.699	76%	0.755	S	S	*	*	S	Bend	cis	-162.3	149.7	26.8	-4	0	0	0	0	105.8
1585	K	28.9	Very low	29.5	Very low	183 Å²	183	141.5 Å²	141.5	80%	0.796	75%	0.75	S	S	*	*	S	Bend	cis	-145.3	151.6	6.5	-77.6	-168.4	176.8	-178.8	0	107.2
1586	Y	29.1	Very low	29.3	Very low	183 Å²	183	142.8 Å²	142.8	72%	0.718	75%	0.753	S	S	*	*			cis	-141.1	131.2	-20	-116.6	-119.1	0	0	0	104
1587	N	29.1	Very low	29.2	Very low	103 Å²	103	140.4 Å²	140.4	55%	0.551	74%	0.742	S	S	*	*				54.9	124.2	92.9	-73.2	-18.4	0	0	0	116
1588	N	29.6	Very low	28.7	Very low	145 Å²	145	142 Å²	142	78%	0.775	74%	0.743	S	S	*	*			trans	107.7	129.8	172.8	-60.2	-5.3	0	0	0	114
1589	N	30.9	Very low	28.7	Very low	145 Å²	145	144.4 Å²	144.4	78%	0.775	75%	0.749	S	S	*	*			cis	-157.1	163.1	-24	-113	-11.7	0	0	0	109
1590	P	36.2	Very low	28.9	Very low	105 Å²	105	139.9 Å²	139.9	68%	0.682	74%	0.743	S	S	*	*			trans	-97.4	176.4	-176.7	38.1	-35.1	0	0	0	114
1591	T	25.3	Very low	28.7	Very low	127 Å²	127	139.1 Å²	139.1	78%	0.779	74%	0.739	S	S	*	*			trans	95.1	156.7	160.2	-29.9	0	0	0	0	116.8
1592	L	26.4	Very low	28.9	Very low	168 Å²	168	140.1 Å²	140.1	88%	0.88	74%	0.741	S	S	*	*			trans	90.3	145.1	167	-62.6	-179.9	0	0	0	119.5
1593	H	22.2	Very low	29.5	Very low	164 Å²	164	137 Å²	137	76%	0.759	74%	0.74	S	S	*	*			trans	-101.4	172.6	166.6	-149.4	-78.9	0	0	0	106.1
1594	F	24.2	Very low	29.7	Very low	159 Å²	159	137.6 Å²	137.6	70%	0.697	74%	0.738	S	S	*	*			trans	74.6	134.9	173.2	-91.8	-112.3	0	0	0	116.8
1595	E	25.3	Very low	30.2	Very low	156 Å²	156	135.7 Å²	135.7	73%	0.729	73%	0.73	S	S	*	*			trans	55.1	136.7	141.4	-75.5	170.5	-164.1	0	0	120.7
1596	D	25	Very low	30.5	Very low	131 Å²	131	130.7 Å²	130.7	70%	0.701	71%	0.712	S	S	*	*			cis	-166.9	-176.7	-10.8	-150.1	-10.9	0	0	0	111.1
1597	I	29	Very low	31.1	Very low	131 Å²	131	125.4 Å²	125.4	67%	0.672	69%	0.694	S	S	*	*			trans	70.7	119.2	149.3	-69.2	157.3	0	0	0	119.9
1598	S	29	Very low	31.9	Very low	95 Å²	95	126.5 Å²	126.5	66%	0.664	69%	0.69	S	S	*	*			trans	63.5	152.5	152.3	69.2	0	0	0	0	120.3
1599	D	29.8	Very low	32.6	Very low	153 Å²	153	126.6 Å²	126.6	82%	0.818	68%	0.684	S	S	*	*			cis	-161.3	159.1	-16.3	-103.5	-23	0	0	0	110.1
1600	A	32.9	Very low	33.3	Very low	90 Å²	90	125.8 Å²	125.8	74%	0.744	68%	0.684	S	S	*	*			trans	51.6	144.2	155.7	0	0	0	0	0	121
1601	E	29.9	Very low	33.7	Very low	176 Å²	176	127.3 Å²	127.3	82%	0.822	69%	0.692	S	S	*	*			cis	-160.3	158.2	-0.1	-134.6	-175.7	-146.9	0	0	112.7
1602	S	30.8	Very low	34.5	Very low	106 Å²	106	126.8 Å²	126.8	74%	0.741	69%	0.693	S	S	*	*			trans	74.3	139.3	154.7	-66.2	0	0	0	0	122.8
1603	P	41.8	Very low	35.3	Very low	121 Å²	121	128.9 Å²	128.9	79%	0.786	70%	0.695	S	S	*	*			trans	-127.4	-160.3	-152.3	40.3	-18.2	0	0	0	114.3
1604	N	34.9	Very low	35.7	Very low	134 Å²	134	128.7 Å²	128.7	72%	0.717	70%	0.699	S	S	*	*			cis	-156.4	-169.3	8.8	-150	-30.8	0	0	0	113.3	R1639	N1604-R1639 PolarHBondContact O-NH1 3.11Å
1605	S	43.5	Very low	36.2	Very low	75 Å²	75	126.2 Å²	126.2	52%	0.524	70%	0.702	S	S	.	*			trans	-138.9	172.9	-138.5	65.4	0	0	0	0	118.9	R1639	S1605-R1639 VanDerWaalsContact C-CZ 3.45Å; S1605-R1639 VanDerWaalsContact C-NH1 3.35Å; S1605-R1639 VanDerWaalsContact C-NH2 3.33Å; S1605-R1639 PolarHBondContact O-NH1 2.63Å; S1605-R1639 PolarHBondContact O-NH2 2.6Å
1606	N	36.5	Very low	36.5	Very low	78 Å²	78	128.9 Å²	128.9	42%	0.417	71%	0.705	S	S	.	*			trans	-153.8	-166	164.6	-97.8	64.7	0	0	0	106.2	I1638 R1639	N1606-I1638 VanDerWaalsContact C-CG1 3.44Å; N1606-I1638 HydrophobicContact CB-CG1 3.73Å; N1606-I1638 WeakPolarHBondContact O-CD1 3.47Å; N1606-I1638 WeakPolarHBondContact O-CG1 3.41Å; N1606-R1639 PolarHBondContact OD1-NH2 2.83Å
1607	E	41.6	Very low	37.1	Very low	72 Å²	72	124.7 Å²	124.7	34%	0.336	69%	0.686	S	S	.	*			trans	-163.9	-170	167.7	-127.3	-104.7	103.4	0	0	117.5	K1609 K1636 H1637 I1638	E1607-K1609 WeakPolarHBondContact OE1-CE 3.16Å; E1607-K1609 IonicContact OE1-NZ 3.64Å; E1607-K1609 PolarHBondContact OE1-NZ 2.85Å; E1607-K1609 IonicContact OE2-NZ 3.61Å; E1607-K1609 PolarHBondContact OE2-NZ 2.89Å; E1607-K1636 HydrophobicContact CB-CD 4.15Å; E1607-K1636 CarbonylContact O-C 3.46Å; E1607-K1636 WeakPolarHBondContact O-CA 3.06Å; E1607-K1636 WeakPolarHBondContact O-CB 3.22Å; E1607-K1636 VanDerWaalsContact O-CG 3.29Å; E1607-K1636 WeakPolarHBondContact O-CG 3.18Å; E1607-H1637 CarbonylContact C-O 3.44Å; E1607-H1637 CarbonylContact O-C 3.52Å; E1607-H1637 WeakPolarHBondContact O-CA 3.2Å; E1607-H1637 PolarHBondContact O-N 3.39Å; E1607-I1638 PolarHBondContact O-N 2.94Å
1608	R	45.6	Very low	37.2	Very low	125 Å²	125	125.7 Å²	125.7	47%	0.472	68%	0.682	S	S	.	*			trans	-104.5	-172.6	-177.9	-74.8	80.7	-174.6	-102.9	-4.6	115.7	K1636 H1637 I1638	R1608-K1636 WeakPolarHBondContact CA-O 3.44Å; R1608-K1636 WeakPolarHBondContact O-CB 3.47Å; R1608-H1637 WeakPolarHBondContact CD-O 3.09Å; R1608-H1637 VanDerWaalsContact CG-O 3.32Å; R1608-H1637 WeakPolarHBondContact CG-O 3.1Å; R1608-H1637 PolarHBondContact NE-O 3.1Å; R1608-I1638 PolarHBondContact NE-O 2.97Å; R1608-I1638 PolarHBondContact NH2-O 3.01Å
1609	K	44.8	Very low	37.2	Very low	147 Å²	147	125.2 Å²	125.2	64%	0.639	67%	0.671	S	S	*	*			cis	-159.7	179.3	26.3	-61	89.8	-177.1	172.9	0	109.2	E1607	E1607-K1609 WeakPolarHBondContact OE1-CE 3.16Å; E1607-K1609 IonicContact OE1-NZ 3.64Å; E1607-K1609 PolarHBondContact OE1-NZ 2.85Å; E1607-K1609 IonicContact OE2-NZ 3.61Å; E1607-K1609 PolarHBondContact OE2-NZ 2.89Å
1610	T	43.8	Very low	37	Very low	129 Å²	129	128.1 Å²	128.1	79%	0.791	67%	0.671	S	S	*	*			cis	-160.2	-149.4	-20.6	31.1	0	0	0	0	108.4
1611	T	45.2	Very low	36.7	Very low	136 Å²	136	127.7 Å²	127.7	83%	0.834	65%	0.653	S	S	*	*			cis	-169.7	177.2	7.2	-21.3	0	0	0	0	112.2
1612	S	41.3	Very low	36.6	Very low	117 Å²	117	122.4 Å²	122.4	82%	0.818	64%	0.636	S	S	*	*			trans	-158.1	168.6	-178.2	68.6	0	0	0	0	120.1
1613	K	43.6	Very low	36.5	Very low	211 Å²	211	122.5 Å²	122.5	92%	0.917	63%	0.632	S	S	*	*			trans	-172.9	-177.3	161.2	-111.6	166.3	-172.1	175.5	0	117.8
1614	L	31.9	Very low	36	Very low	160 Å²	160	124.9 Å²	124.9	84%	0.838	63%	0.632	S	S	*	*			trans	-126.3	160.7	-155.1	-115.2	80.6	0	0	0	119.8
1615	S	34.5	Very low	35.7	Very low	108 Å²	108	124.8 Å²	124.8	76%	0.755	63%	0.632	S	S	*	*			trans	73.4	109.5	148.6	-62.1	0	0	0	0	124.4
1616	R	31.6	Very low	35.1	Very low	211 Å²	211	125.2 Å²	125.2	80%	0.796	64%	0.635	S	S	*	*			trans	-173.7	137.6	138.7	-135.9	174.2	-178.7	165.5	3.1	117.2	D998	D998-R1616 WeakPolarHBondContact OD2-CG 3.49Å; D998-R1616 IonicContact OD2-NE 2.81Å; D998-R1616 PolarHBondContact OD2-NE 3.05Å
1617	S	36.2	Very low	34.8	Very low	44 Å²	44	125.4 Å²	125.4	31%	0.308	64%	0.642	S	S	.	*			trans	61	174.3	143.9	71.1	0	0	0	0	124.3	A997 D998	A997-S1617 WeakPolarHBondContact O-CB 3.4Å; D998-S1617 VanDerWaalsContact OD1-CA 3.3Å; D998-S1617 WeakPolarHBondContact OD1-CA 3.42Å; D998-S1617 PolarHBondContact OD1-N 3.01Å
1618	R	32.6	Very low	34.3	Very low	152 Å²	152	128.9 Å²	128.9	57%	0.574	66%	0.663	S	S	*	*			trans	81.4	157.7	164.5	-64.4	163	164.3	-167.2	-9.3	115	N995	N995-R1618 HydrophobicContact CB-CG 3.86Å; N995-R1618 VanDerWaalsContact CB-NE 3.34Å; N995-R1618 VanDerWaalsContact O-CZ 3.24Å; N995-R1618 PolarHBondContact O-NE 2.85Å; N995-R1618 PolarHBondContact O-NH2 3.17Å
1619	L	28.3	Very low	33.5	Very low	84 Å²	84	128.8 Å²	128.8	44%	0.44	68%	0.682	S	S	.	*			cis	-177.3	-179.3	-27.3	-155.3	97	0	0	0	104.4	N995 S996 H1621	N995-L1619 HydrophobicContact CB-CD2 4.36Å; N995-L1619 VanDerWaalsContact OD1-CB 3.29Å; N995-L1619 WeakPolarHBondContact OD1-CB 3.48Å; N995-L1619 WeakPolarHBondContact OD1-CD2 3.33Å; S996-L1619 WeakPolarHBondContact O-CD1 3.46Å; L1619-H1621 PolarHBondContact O-N 3.3Å
1620	R	25.2	Very low	32.6	Very low	215 Å²	215	124.9 Å²	124.9	81%	0.811	67%	0.673	S	S	*	*			trans	-81.8	90.7	157.7	-151.6	-164	-159.7	-155.9	8.4	109.9
1621	H	26.6	Very low	32.1	Very low	80 Å²	80	122.8 Å²	122.8	37%	0.37	66%	0.661	S	S	.	*				-94.6	134.5	128.4	-80.8	-96.1	0	0	0	106.4	N995 L1619 T1623	N995-H1621 PolarHBondContact ND2-CD2 2.94Å; N995-H1621 PolarHBondContact ND2-NE2 3.19Å; N995-H1621 PolarHBondContact OD1-CD2 2.8Å; N995-H1621 VanDerWaalsContact OD1-CD2 3.23Å; L1619-H1621 PolarHBondContact O-N 3.3Å; H1621-T1623 PolarHBondContact ND1-O 2.82Å
1622	S	29.1	Very low	31.4	Very low	66 Å²	66	119.1 Å²	119.1	46%	0.462	64%	0.637	S	S	.	*			cis	55.3	104.3	1.2	-165.8	0	0	0	0	115.6
1623	T	28.5	Very low	30.9	Very low	107 Å²	107	116.3 Å²	116.3	66%	0.656	62%	0.615	S	S	*	*	S	Bend	trans	54.3	110	162.6	50.6	0	0	0	0	116.9	H1621	H1621-T1623 PolarHBondContact ND1-O 2.82Å
1624	Q	31.7	Very low	30.2	Very low	171 Å²	171	113.8 Å²	113.8	80%	0.799	60%	0.604	S	S	*	*			trans	38.5	132	142.7	-68.1	177.6	-32.5	0	0	120.2
1625	N	28	Very low	30.3	Very low	132 Å²	132	112.3 Å²	112.3	71%	0.706	59%	0.593	S	S	*	*			trans	71.1	146.5	153.6	-73.7	16.9	0	0	0	117.3
1626	S	30.8	Very low	30.4	Very low	85 Å²	85	113.5 Å²	113.5	59%	0.594	58%	0.584	S	S	*	*			cis	-168.6	-177.8	-14.5	45.6	0	0	0	0	110.6
1627	S	30.3	Very low	30.3	Very low	82 Å²	82	108 Å²	108	57%	0.573	57%	0.568	S	S	*	*			trans	43.3	113	136.4	63.6	0	0	0	0	118.1
1628	N	30.8	Very low	30.3	Very low	145 Å²	145	108.7 Å²	108.7	78%	0.775	57%	0.567	S	S	*	*			cis	-169.8	129.3	33	-89.1	-27.8	0	0	0	111.7
1629	S	29	Very low	30.4	Very low	123 Å²	123	106.2 Å²	106.2	86%	0.86	56%	0.558	S	S	*	*			trans	-151.3	62.6	143.6	70.2	0	0	0	0	110.3
1630	S	26.3	Very low	30.9	Very low	65 Å²	65	110.3 Å²	110.3	46%	0.455	58%	0.579	S	S	.	*			trans	-49.1	149.1	148.8	-79.3	0	0	0	0	110.1	S1085	S1085-S1630 WeakPolarHBondContact O-CB 3.27Å; S1085-S1630 PolarHBondContact O-OG 2.94Å
1631	P	32.2	Very low	31.2	Very low	84 Å²	84	104 Å²	104	55%	0.545	56%	0.56	S	S	.	*				-145.2	-163.1	69.8	34.1	-10.8	0	0	0	115.1	G1084 S1085 T1086	G1084-P1631 CarbonylContact C-O 3.59Å; G1084-P1631 VanDerWaalsContact CA-O 3.26Å; G1084-P1631 WeakPolarHBondContact CA-O 3.02Å; S1085-P1631 VanDerWaalsContact N-C 3.28Å; S1085-P1631 PolarHBondContact N-O 3.14Å; T1086-P1631 VanDerWaalsContact O-CB 3.22Å; T1086-P1631 WeakPolarHBondContact O-CB 3.02Å
1632	N	31	Very low	31.4	Very low	59 Å²	59	108.7 Å²	108.7	32%	0.316	58%	0.579	S	S	.	*			trans	-53.5	138.4	-162.1	-100.1	-0.3	0	0	0	114.5	S1085 T1086 E1087	S1085-N1632 VanDerWaalsContact CA-OD1 3.27Å; S1085-N1632 WeakPolarHBondContact CA-OD1 3.35Å; T1086-N1632 VanDerWaalsContact CA-OD1 3.3Å; T1086-N1632 WeakPolarHBondContact CA-OD1 3.27Å; T1086-N1632 PolarHBondContact N-OD1 3.49Å; T1086-N1632 WeakPolarHBondContact O-CB 3.34Å; T1086-N1632 PolarHBondContact O-N 3.31Å; E1087-N1632 WeakPolarHBondContact CA-ND2 3.2Å; E1087-N1632 PolarHBondContact OE2-ND2 3.28Å
1633	T	30.8	Very low	31.6	Very low	58 Å²	58	109.7 Å²	109.7	36%	0.356	59%	0.586	S	S	.	*				65.9	129.5	54.1	-109.7	0	0	0	0	112.6	G1084	G1084-T1633 WeakPolarHBondContact O-CA 3.28Å; G1084-T1633 WeakPolarHBondContact O-CB 3.44Å; G1084-T1633 PolarHBondContact O-N 2.96Å; G1084-T1633 VanDerWaalsContact O-N 3.15Å; G1084-T1633 PolarHBondContact O-OG1 2.72Å
1634	F	29.3	Very low	31.7	Very low	159 Å²	159	108.8 Å²	108.8	70%	0.697	58%	0.584	S	S	*	*			trans	68.5	102.4	158.8	-81.4	-128.4	0	0	0	118.9
1635	Q	33.3	Very low	31.6	Very low	128 Å²	128	106.8 Å²	106.8	60%	0.598	58%	0.584	S	S	*	*				60.1	75.6	107.9	-69.6	-176	-4.9	0	0	116.7
1636	K	36.3	Very low	31.7	Very low	133 Å²	133	105.8 Å²	105.8	58%	0.578	58%	0.583	S	S	*	*			trans	-116.2	107.4	130.4	-104.6	-173.6	174.7	-177.9	0	105.9	E1607 R1608	E1607-K1636 HydrophobicContact CB-CD 4.15Å; E1607-K1636 CarbonylContact O-C 3.46Å; E1607-K1636 WeakPolarHBondContact O-CA 3.06Å; E1607-K1636 WeakPolarHBondContact O-CB 3.22Å; E1607-K1636 VanDerWaalsContact O-CG 3.29Å; E1607-K1636 WeakPolarHBondContact O-CG 3.18Å; R1608-K1636 WeakPolarHBondContact CA-O 3.44Å; R1608-K1636 WeakPolarHBondContact O-CB 3.47Å
1637	H	30	Very low	31.8	Very low	97 Å²	97	108.7 Å²	108.7	45%	0.449	59%	0.59	S	S	.	*				79.1	-172.3	53	-78.9	-65	0	0	0	115.5	E1607 R1608	E1607-H1637 CarbonylContact C-O 3.44Å; E1607-H1637 CarbonylContact O-C 3.52Å; E1607-H1637 WeakPolarHBondContact O-CA 3.2Å; E1607-H1637 PolarHBondContact O-N 3.39Å; R1608-H1637 WeakPolarHBondContact CD-O 3.09Å; R1608-H1637 VanDerWaalsContact CG-O 3.32Å; R1608-H1637 WeakPolarHBondContact CG-O 3.1Å; R1608-H1637 PolarHBondContact NE-O 3.1Å
1638	I	35.9	Very low	31.6	Very low	57 Å²	57	109.6 Å²	109.6	29%	0.292	60%	0.597	S	S	.	*			trans	54.5	98.5	-150.2	-81.6	-172.4	0	0	0	112.2	N1606 E1607 R1608	N1606-I1638 VanDerWaalsContact C-CG1 3.44Å; N1606-I1638 HydrophobicContact CB-CG1 3.73Å; N1606-I1638 WeakPolarHBondContact O-CD1 3.47Å; N1606-I1638 WeakPolarHBondContact O-CG1 3.41Å; E1607-I1638 PolarHBondContact O-N 2.94Å; R1608-I1638 PolarHBondContact NE-O 2.97Å; R1608-I1638 PolarHBondContact NH2-O 3.01Å
1639	R	34.4	Very low	31.5	Very low	100 Å²	100	111 Å²	111	38%	0.377	60%	0.604	S	S	.	*	S	Bend		74.1	134.5	72	-66.6	-178.8	-170.1	177.2	2.4	111.3	N1604 S1605 N1606 I1641	N1604-R1639 PolarHBondContact O-NH1 3.11Å; S1605-R1639 VanDerWaalsContact C-CZ 3.45Å; S1605-R1639 VanDerWaalsContact C-NH1 3.35Å; S1605-R1639 VanDerWaalsContact C-NH2 3.33Å; S1605-R1639 PolarHBondContact O-NH1 2.63Å; S1605-R1639 PolarHBondContact O-NH2 2.6Å; N1606-R1639 PolarHBondContact OD1-NH2 2.83Å; R1639-I1641 HydrophobicContact CB-CB 4.09Å; R1639-I1641 HydrophobicContact CG-CB 3.75Å; R1639-I1641 HydrophobicContact CG-CD1 3.8Å; R1639-I1641 HydrophobicContact CG-CG1 3.82Å; R1639-I1641 HydrophobicContact CG-CG2 4.2Å
1640	I	39	Very low	31.5	Very low	171 Å²	171	108.6 Å²	108.6	88%	0.877	60%	0.598	S	S	*	*	S	Bend	cis	-72.2	123.6	-6.3	-65.3	159.4	0	0	0	108.3
1641	I	32.1	Very low	31.8	Very low	81 Å²	81	111.2 Å²	111.2	42%	0.415	62%	0.617	S	S	.	*			cis	81.7	127.3	26.1	-124.8	-157	0	0	0	116.2	R1639	R1639-I1641 HydrophobicContact CB-CB 4.09Å; R1639-I1641 HydrophobicContact CG-CB 3.75Å; R1639-I1641 HydrophobicContact CG-CD1 3.8Å; R1639-I1641 HydrophobicContact CG-CG1 3.82Å; R1639-I1641 HydrophobicContact CG-CG2 4.2Å
1642	K	31.1	Very low	31.9	Very low	179 Å²	179	111.5 Å²	111.5	78%	0.778	62%	0.621	S	S	*	*			trans	61.9	158.7	157.8	-73	-174.9	178.4	-173.2	0	116.8
1643	S	33.6	Very low	31.9	Very low	88 Å²	88	115.6 Å²	115.6	62%	0.615	64%	0.643	S	S	*	*			cis	-160.4	161.7	-24.5	47.7	0	0	0	0	106.3
1644	S	30.4	Very low	32.1	Very low	88 Å²	88	118.2 Å²	118.2	62%	0.615	66%	0.659	S	S	*	*			cis	-143	152	30.1	-61.8	0	0	0	0	110.2
1645	T	29.5	Very low	32.3	Very low	129 Å²	129	115.1 Å²	115.1	79%	0.791	66%	0.657	S	S	*	*			cis	55.6	61.1	4.7	-38.8	0	0	0	0	115.7
1646	T	30.4	Very low	32.3	Very low	110 Å²	110	116 Å²	116	68%	0.675	67%	0.666	S	S	*	*			trans	-118.9	131.8	139.8	36.1	0	0	0	0	105.2
1647	I	31.6	Very low	32.4	Very low	147 Å²	147	115.4 Å²	115.4	75%	0.754	67%	0.673	S	S	*	*				66.5	134.3	63.7	-58.8	169	0	0	0	110.4
1648	S	27.2	Very low	32.5	Very low	101 Å²	101	118.2 Å²	118.2	71%	0.706	69%	0.692	S	S	*	*	S	Bend	trans	-51.1	152.3	177.5	46.7	0	0	0	0	114.4
1649	N	28.2	Very low	32.5	Very low	174 Å²	174	123.3 Å²	123.3	93%	0.93	72%	0.719	S	S	*	*	S	Bend	trans	7.6	111.5	161.8	-64.5	-3.1	0	0	0	117.6
1650	G	30.1	Very low	32.5	Very low	72 Å²	72	121 Å²	121	74%	0.742	73%	0.726	S	S	*	*			trans	171	98	165.3	0	0	0	0	0	115
1651	S	30.8	Very low	32.3	Very low	121 Å²	121	118.8 Å²	118.8	85%	0.846	73%	0.727	S	S	*	*			trans	14.6	145.5	134.5	-55.9	0	0	0	0	120.2
1652	S	34.2	Very low	32.3	Very low	89 Å²	89	122.8 Å²	122.8	62%	0.622	74%	0.744	S	S	*	*			cis	-179.2	154.7	4.3	42.5	0	0	0	0	112
1653	N	31.9	Very low	32.2	Very low	146 Å²	146	122 Å²	122	78%	0.781	74%	0.743	S	S	*	*			trans	66.5	155.6	152.4	-60.7	-1.2	0	0	0	117.8
1654	T	35.1	Very low	32	Very low	113 Å²	113	126.2 Å²	126.2	69%	0.693	75%	0.753	S	S	*	*			cis	-165.9	156.2	-15.5	23	0	0	0	0	109.2
1655	S	33.7	Very low	32	Very low	94 Å²	94	127.5 Å²	127.5	66%	0.657	75%	0.751	S	S	*	*			trans	57.9	147.4	149	59.1	0	0	0	0	121.8
1656	D	33.3	Very low	31.9	Very low	146 Å²	146	128.5 Å²	128.5	78%	0.781	75%	0.747	S	S	*	*			cis	-168.6	-176.8	-17.1	-98.4	-35.1	0	0	0	110.5
1657	T	37.8	Very low	32.1	Very low	121 Å²	121	135.1 Å²	135.1	74%	0.742	76%	0.759	S	S	*	*			trans	87.8	87.1	170.7	62.2	0	0	0	0	119.5
1658	D	33.3	Very low	32	Very low	155 Å²	155	132.5 Å²	132.5	83%	0.829	75%	0.754	S	S	*	*				42.4	147.1	114.9	-45.7	-21.5	0	0	0	121.3
1659	D	35.2	Very low	32.2	Very low	164 Å²	164	136.6 Å²	136.6	88%	0.877	76%	0.759	S	S	*	*			cis	-170.7	159.5	-24.3	-171.8	52.2	0	0	0	105.6
1660	G	33.9	Very low	32.2	Very low	51 Å²	51	135.8 Å²	135.8	53%	0.526	75%	0.75	S	S	.	*			cis	-168	-172.6	2.3	0	0	0	0	0	109.9
1661	S	34.4	Very low	32.3	Very low	126 Å²	126	138.9 Å²	138.9	88%	0.881	76%	0.755	S	S	*	*			trans	-162.1	146.3	178.1	52.7	0	0	0	0	116.2
1662	E	33.9	Very low	32.4	Very low	165 Å²	165	136.7 Å²	136.7	77%	0.771	74%	0.739	S	S	*	*			trans	-124.1	153.1	171.6	-74.4	-152.5	95.4	0	0	113
1663	Q	28.6	Very low	32.3	Very low	162 Å²	162	136 Å²	136	76%	0.757	73%	0.726	S	S	*	*			trans	9	118.6	142.5	-46.9	177.1	67.2	0	0	118.2
1664	E	28.8	Very low	32.6	Very low	177 Å²	177	133.1 Å²	133.1	83%	0.827	71%	0.711	S	S	*	*				-172.5	160.1	118.1	-104	-157.8	152.9	0	0	116.8
1665	I	30.5	Very low	32.5	Very low	114 Å²	114	135.3 Å²	135.3	59%	0.585	71%	0.713	S	S	*	*			trans	-11.5	130.5	166.9	-23.8	172.6	0	0	0	120.2
1666	H	28.2	Very low	32.6	Very low	151 Å²	151	135.7 Å²	135.7	70%	0.699	72%	0.716	S	S	*	*				161.9	122.5	109.7	-94.9	-75.1	0	0	0	115.8
1667	R	33	Very low	32.7	Very low	249 Å²	249	134 Å²	134	94%	0.94	72%	0.716	S	S	*	*				-172.8	159.7	117.1	-98.3	164.6	-159.9	-118.3	1.1	110.9
1668	S	29.5	Very low	32.4	Very low	92 Å²	92	135.1 Å²	135.1	64%	0.643	72%	0.717	S	S	*	*			trans	-160.4	144.6	-154.7	46.1	0	0	0	0	112
1669	F	32.3	Very low	32.4	Very low	186 Å²	186	131.4 Å²	131.4	82%	0.816	72%	0.715	S	S	*	*			trans	-156.5	97.5	164.7	-104.4	-73	0	0	0	113.6
1670	E	28.9	Very low	32.1	Very low	158 Å²	158	127.7 Å²	127.7	74%	0.738	70%	0.702	S	S	*	*			trans	65	155.8	130.6	-60.8	-173.4	145.7	0	0	126.9
1671	T	31.3	Very low	31.9	Very low	136 Å²	136	129.7 Å²	129.7	83%	0.834	71%	0.708	S	S	*	*			trans	73.6	134.7	167	56.6	0	0	0	0	121.7
1672	S	32.1	Very low	31.5	Very low	75 Å²	75	131 Å²	131	52%	0.524	71%	0.705	S	S	.	*			cis	-176.6	144.5	-48.4	42.8	0	0	0	0	114.4	Y1689	S1672-Y1689 WeakPolarHBondContact O-CD1 3.35Å
1673	H	33.8	Very low	31.3	Very low	74 Å²	74	128.7 Å²	128.7	34%	0.343	71%	0.707	S	S	.	*			trans	83.6	103.8	160.2	-60.7	-81.9	0	0	0	125.7	Y1689 G1690 P1691 N1692	H1673-Y1689 CarbonylContact O-C 2.98Å; H1673-Y1689 VanDerWaalsContact O-CA 3.23Å; H1673-Y1689 WeakPolarHBondContact O-CA 3.23Å; H1673-Y1689 WeakPolarHBondContact O-CB 3.23Å; H1673-Y1689 WeakPolarHBondContact O-CD1 3.49Å; H1673-G1690 PolarHBondContact O-N 3.19Å; H1673-P1691 PolarHBondContact CE1-O 3.41Å; H1673-P1691 PolarHBondContact ND1-O 3.15Å; H1673-N1692 PolarHBondContact CE1-O 2.95Å
1674	N	37.2	Very low	31.2	Very low	87 Å²	87	126.1 Å²	126.1	47%	0.465	71%	0.707	S	S	.	*				63.1	135.6	123.7	-64.3	42	0	0	0	127.2
1675	E	32.7	Very low	31.2	Very low	158 Å²	158	122 Å²	122	74%	0.738	70%	0.698	S	S	*	*			trans	89.4	169.2	133.7	-76.9	167.9	-115.5	0	0	124.5
1676	S	36.2	Very low	31	Very low	103 Å²	103	125.2 Å²	125.2	72%	0.72	71%	0.71	S	S	*	*			trans	-159.3	138.1	-137.5	60.3	0	0	0	0	119
1677	S	34.7	Very low	31.1	Very low	111 Å²	111	123.6 Å²	123.6	78%	0.776	72%	0.716	S	S	*	*				159.8	139.8	126.5	-72.9	0	0	0	0	114.3
1678	D	32.4	Very low	31.2	Very low	144 Å²	144	117.5 Å²	117.5	77%	0.77	71%	0.706	S	S	*	*			trans	22.1	139.3	160	-59.5	-7.2	0	0	0	122.7
1679	G	32.4	Very low	31.5	Very low	76 Å²	76	121.6 Å²	121.6	78%	0.784	71%	0.709	S	S	*	*			trans	-174.6	-45.4	171.2	0	0	0	0	0	119.9
1680	S	30.2	Very low	31.6	Very low	86 Å²	86	114.5 Å²	114.5	60%	0.601	69%	0.688	S	S	*	*			trans	70.4	146.1	-174.6	-170.3	0	0	0	0	117.8
1681	S	28.3	Very low	32.2	Very low	93 Å²	93	109.8 Å²	109.8	65%	0.65	67%	0.671	S	S	*	*			trans	100.2	104.2	154.3	-38.2	0	0	0	0	118.1
1682	N	27.4	Very low	32.3	Very low	155 Å²	155	109.1 Å²	109.1	83%	0.829	66%	0.663	S	S	*	*			trans	71.4	155.3	155.3	-61.4	-6.6	0	0	0	120
1683	S	28.7	Very low	32.3	Very low	116 Å²	116	111.4 Å²	111.4	81%	0.811	67%	0.669	S	S	*	*			trans	60.2	114.4	168.1	27.3	0	0	0	0	119.3
1684	S	27.5	Very low	32.4	Very low	108 Å²	108	111.8 Å²	111.8	76%	0.755	69%	0.685	S	S	*	*				30.2	142.2	129.7	-161	0	0	0	0	122.3
1685	S	26.9	Very low	32.2	Very low	91 Å²	91	114.6 Å²	114.6	64%	0.636	70%	0.699	S	S	*	*			trans	69.7	107.1	148.6	36.2	0	0	0	0	120.4
1686	E	27.9	Very low	32.9	Very low	181 Å²	181	112.4 Å²	112.4	85%	0.846	70%	0.698	S	S	*	*				80	134.4	112.6	-148.7	152.7	-147.8	0	0	119.4
1687	S	30.3	Very low	33	Very low	117 Å²	117	118.4 Å²	118.4	82%	0.818	71%	0.705	S	S	*	*			trans	67.7	171.7	-174.1	84	0	0	0	0	115.2
1688	V	34.4	Very low	32.9	Very low	121 Å²	121	120.8 Å²	120.8	73%	0.733	71%	0.708	S	S	*	*			cis	-165	144.7	-29.4	136.4	0	0	0	0	104.6
1689	Y	35.9	Very low	32.8	Very low	178 Å²	178	120.4 Å²	120.4	70%	0.698	71%	0.712	S	S	*	*			cis	99	147.7	28.8	-76.4	-146.1	0	0	0	113.9	S1672 H1673	S1672-Y1689 WeakPolarHBondContact O-CD1 3.35Å; H1673-Y1689 CarbonylContact O-C 2.98Å; H1673-Y1689 VanDerWaalsContact O-CA 3.23Å; H1673-Y1689 WeakPolarHBondContact O-CA 3.23Å; H1673-Y1689 WeakPolarHBondContact O-CB 3.23Å; H1673-Y1689 WeakPolarHBondContact O-CD1 3.49Å
1690	G	34.4	Very low	32.8	Very low	36 Å²	36	128 Å²	128	37%	0.371	72%	0.716	S	S	.	*			trans	-127.9	-149.4	-150.5	0	0	0	0	0	120.7	H1673	H1673-G1690 PolarHBondContact O-N 3.19Å
1691	P	41.9	Very low	32.8	Very low	60 Å²	60	127.9 Å²	127.9	39%	0.39	72%	0.716	S	S	.	*			trans	-98.7	136.2	-139.9	35.2	-36.6	0	0	0	118.5	H1673	H1673-P1691 PolarHBondContact CE1-O 3.41Å; H1673-P1691 PolarHBondContact ND1-O 3.15Å
1692	N	33	Very low	33.5	Very low	122 Å²	122	132.2 Å²	132.2	65%	0.652	73%	0.726	S	S	*	*			trans	60.7	148.1	146.6	-64.8	72.9	0	0	0	118.6	H1673	H1673-N1692 PolarHBondContact CE1-O 2.95Å
1693	D	33.3	Very low	33.8	Very low	122 Å²	122	133.4 Å²	133.4	65%	0.652	73%	0.726	S	S	*	*			cis	-151.9	-166.8	-0.8	-132.4	-52.8	0	0	0	106.8
1694	A	35.4	Very low	34	Very low	82 Å²	82	135.6 Å²	135.6	68%	0.678	72%	0.721	S	S	*	*			cis	-169.2	-179.5	4.1	0	0	0	0	0	106.6
1695	L	33.4	Very low	34.3	Very low	147 Å²	147	138.3 Å²	138.3	77%	0.77	72%	0.722	S	S	*	*			cis	-175.1	176.3	-29.3	-92.3	171.2	0	0	0	104.8
1696	P	46.1	Very low	34.4	Very low	111 Å²	111	141.1 Å²	141.1	72%	0.721	73%	0.729	S	S	*	*			cis	-123.5	163.8	-8	40.5	-27.4	0	0	0	114.3
1697	R	37.9	Very low	34.6	Very low	230 Å²	230	140.4 Å²	140.4	87%	0.868	73%	0.73	S	S	*	*				-173.5	123.3	121.2	-108.8	175.5	172.1	166.2	-1.5	114.9
1698	L	32.7	Very low	34.5	Very low	160 Å²	160	137.8 Å²	137.8	84%	0.838	72%	0.721	S	S	*	*			trans	70.3	145.9	156.4	-67.4	167.4	0	0	0	119.6
1699	T	30.7	Very low	34.4	Very low	137 Å²	137	138.8 Å²	138.8	84%	0.84	72%	0.722	S	S	*	*			trans	-157.4	-170.9	-162.1	55.7	0	0	0	0	109.5
1700	R	33.6	Very low	34.3	Very low	234 Å²	234	135.8 Å²	135.8	88%	0.883	72%	0.723	S	S	*	*			trans	96.8	112.9	169.2	-156.6	178.3	-168.2	-176	4.1	113.6
1701	S	28.7	Very low	34.6	Very low	85 Å²	85	139.3 Å²	139.3	59%	0.594	74%	0.739	S	S	*	*			cis	100.6	106.6	24.4	-164.5	0	0	0	0	114.8
1702	Q	42.8	Very low	34.4	Very low	183 Å²	183	142.6 Å²	142.6	86%	0.855	76%	0.76	S	S	*	*			trans	44.2	117.4	138	-58.4	174.8	-15.5	0	0	119.8
1703	H	33.5	Very low	34.1	Very low	180 Å²	180	139.5 Å²	139.5	83%	0.833	76%	0.758	S	S	*	*			trans	-150.2	-178.6	147.4	-157	-116	0	0	0	113.1
1704	K	33.2	Very low	34.1	Very low	162 Å²	162	140 Å²	140	70%	0.704	77%	0.77	S	S	*	*			trans	-78.1	157.5	-162.4	-74.5	179.7	173.9	179.4	0	117.4
1705	Q	33.6	Very low	34.2	Very low	166 Å²	166	140.2 Å²	140.2	78%	0.776	77%	0.773	S	S	*	*			trans	-12.9	153.5	142	-64.7	167.2	-61.9	0	0	120.4
1706	L	29.4	Very low	34.3	Very low	149 Å²	149	140.1 Å²	140.1	78%	0.78	77%	0.772	S	S	*	*			trans	89.4	134.8	142.6	-82.1	161.5	0	0	0	121.2
1707	L	32.5	Very low	33.6	Very low	167 Å²	167	141.3 Å²	141.3	87%	0.874	77%	0.768	S	S	*	*			trans	74	152	164.6	-68.6	158	0	0	0	118.4
1708	G	27.4	Very low	33.2	Very low	61 Å²	61	136.4 Å²	136.4	63%	0.629	76%	0.764	S	S	*	*			trans	-91.5	-158.2	-176	0	0	0	0	0	113.6
1709	D	32.7	Very low	33	Very low	142 Å²	142	133.3 Å²	133.3	76%	0.759	76%	0.761	S	S	*	*			cis	-147	144	12.7	-90.3	-68.5	0	0	0	113.7
1710	T	33.4	Very low	32.8	Very low	115 Å²	115	132.3 Å²	132.3	71%	0.706	76%	0.76	S	S	*	*				27.1	144.9	112.6	-27.1	0	0	0	0	119.5
1711	P	42.3	Very low	33.3	Very low	110 Å²	110	126.7 Å²	126.7	71%	0.714	75%	0.754	S	S	*	*			cis	-126.4	-177.4	-46.9	42.2	-27.2	0	0	0	112
1712	P	37.1	Very low	33.2	Very low	129 Å²	129	127 Å²	127	84%	0.838	76%	0.761	S	S	*	*				-137.9	168.1	96.2	38.8	-28.1	0	0	0	112.5
1713	G	27.5	Very low	32.4	Very low	58 Å²	58	125.9 Å²	125.9	60%	0.598	76%	0.759	S	S	*	*			cis	131	116.8	2.9	0	0	0	0	0	110.6
1714	S	32.6	Very low	31.9	Very low	131 Å²	131	122 Å²	122	92%	0.916	75%	0.751	S	S	*	*			trans	70.7	139.6	-165.4	-30.4	0	0	0	0	112.5
1715	A	36.9	Very low	31.5	Very low	88 Å²	88	120.5 Å²	120.5	73%	0.727	75%	0.751	S	S	*	*			cis	-157.3	157.2	4	0	0	0	0	0	109.4
1716	L	34.7	Very low	31.2	Very low	144 Å²	144	122.3 Å²	122.3	75%	0.754	75%	0.751	S	S	*	*			cis	-157.2	143.6	-12.1	-109.4	171.4	0	0	0	110.5
1717	Q	32.5	Very low	31.1	Very low	136 Å²	136	121.3 Å²	121.3	64%	0.636	75%	0.751	S	S	*	*			trans	32.4	134.8	142.2	-78.5	178.1	-4.3	0	0	125.2
1718	T	29.4	Very low	30.9	Very low	128 Å²	128	118.2 Å²	118.2	79%	0.785	75%	0.749	S	S	*	*			trans	70.9	148.8	133.9	60.5	0	0	0	0	121.5
1719	A	27.6	Very low	30.9	Very low	94 Å²	94	120.5 Å²	120.5	78%	0.777	76%	0.756	S	S	*	*			cis	-155.7	160.7	-11.5	0	0	0	0	0	114.3
1720	S	26.5	Very low	30.6	Very low	117 Å²	117	118.7 Å²	118.7	82%	0.818	76%	0.755	S	S	*	*			trans	-37.9	175.1	160.5	-57.6	0	0	0	0	118.8
1721	P	44.4	Very low	30.4	Very low	116 Å²	116	119.4 Å²	119.4	75%	0.753	76%	0.758	S	S	*	*			trans	-116.4	-167.2	-162.6	44.2	-33.9	0	0	0	114.8
1722	A	26.6	Very low	29.9	Very low	91 Å²	91	120.7 Å²	120.7	75%	0.752	76%	0.764	S	S	*	*			trans	77.1	-171.5	152.6	0	0	0	0	0	117.7
1723	I	25.7	Very low	29.6	Very low	159 Å²	159	118.6 Å²	118.6	82%	0.815	76%	0.758	S	S	*	*			trans	75.7	135.1	-176.9	-50.7	177.8	0	0	0	114.5
1724	C	23.6	Very low	29.9	Very low	99 Å²	99	120.3 Å²	120.3	67%	0.669	77%	0.766	S	S	*	*			cis	-176.9	154.7	-44.2	-110.4	0	0	0	0	109.3
1725	N	25.3	Very low	30	Very low	131 Å²	131	122.6 Å²	122.6	70%	0.701	76%	0.759	S	S	*	*			trans	47.5	116.1	141.2	-63.9	-28.9	0	0	0	122.3
1726	R	28	Very low	29.8	Very low	204 Å²	204	125 Å²	125	77%	0.77	76%	0.759	S	S	*	*				87.6	118.1	117.3	-75.1	-173.5	173.6	-161.5	-2	122.1
1727	T	27.2	Very low	29.7	Very low	128 Å²	128	124.7 Å²	124.7	79%	0.785	76%	0.757	S	S	*	*				59.7	105.8	128.5	65	0	0	0	0	121.1
1728	A	26.8	Very low	29.6	Very low	101 Å²	101	121.9 Å²	121.9	84%	0.835	75%	0.753	S	S	*	*				-174.6	161.1	111.4	0	0	0	0	0	108.7
1729	S	27.4	Very low	29.6	Very low	109 Å²	109	122.9 Å²	122.9	76%	0.762	75%	0.753	S	S	*	*			cis	169	100.9	-32.4	169.5	0	0	0	0	107
1730	S	28.1	Very low	29.8	Very low	105 Å²	105	122.3 Å²	122.3	73%	0.734	74%	0.744	S	S	*	*			trans	72.8	158.6	151.5	-153	0	0	0	0	120.7
1731	V	29.1	Very low	30	Very low	130 Å²	130	125.5 Å²	125.5	79%	0.788	74%	0.743	S	S	*	*			trans	54.6	140.5	174	-97.2	0	0	0	0	116.9
1732	V	30.3	Very low	29.3	Very low	136 Å²	136	131.7 Å²	131.7	82%	0.824	75%	0.752	S	S	*	*			cis	-133.8	167	9.8	-74.7	0	0	0	0	110.2
1733	A	31.7	Very low	29.4	Very low	86 Å²	86	132.5 Å²	132.5	71%	0.711	75%	0.752	S	S	*	*			cis	-174	-168.5	-28.1	0	0	0	0	0	108
1734	A	34	Very low	29.6	Very low	93 Å²	93	135.8 Å²	135.8	77%	0.769	75%	0.754	S	S	*	*			trans	72.6	137.8	169.9	0	0	0	0	0	117.5
1735	K	33.5	Very low	29.9	Very low	179 Å²	179	136 Å²	136	78%	0.778	75%	0.752	S	S	*	*			cis	-161.9	143.4	-4.6	-124.3	-177.3	-179.3	177.7	0	111.6
1736	L	33.5	Very low	30.2	Very low	139 Å²	139	137.5 Å²	137.5	73%	0.728	75%	0.752	S	S	*	*			trans	66.8	150	154.8	-54.8	179.2	0	0	0	117.7
1737	L	32.6	Very low	30.2	Very low	137 Å²	137	134.5 Å²	134.5	72%	0.717	75%	0.747	S	S	*	*			cis	-154.3	122.6	-17.7	-94.1	158.1	0	0	0	104.6
1738	S	30.1	Very low	30.4	Very low	78 Å²	78	133.8 Å²	133.8	55%	0.545	74%	0.742	S	S	.	*				77.5	142	77.6	87.4	0	0	0	0	116.9
1739	N	30.4	Very low	30.6	Very low	148 Å²	148	135.5 Å²	135.5	79%	0.791	74%	0.737	S	S	*	*			trans	74.9	152.3	149.9	-68.8	-25	0	0	0	119.9
1740	S	30.9	Very low	30.7	Very low	83 Å²	83	138.8 Å²	138.8	58%	0.58	74%	0.738	S	S	*	*			cis	-170.7	165	-30	-148.2	0	0	0	0	111.2
1741	K	31.1	Very low	30.8	Very low	184 Å²	184	141.4 Å²	141.4	80%	0.8	74%	0.742	S	S	*	*			trans	56	125	148.4	-74.8	160.1	-173.5	177.7	0	121.4
1742	R	29.4	Very low	30.8	Very low	246 Å²	246	140.7 Å²	140.7	93%	0.928	74%	0.738	S	S	*	*				50.2	144.4	104.7	-150.2	177.4	-168.6	-179.2	4.3	119.3
1743	S	28.8	Very low	30.6	Very low	108 Å²	108	142.4 Å²	142.4	76%	0.755	74%	0.737	S	S	*	*			trans	-92.2	164.7	-163.7	47.2	0	0	0	0	117.5
1744	R	30.2	Very low	30.6	Very low	228 Å²	228	144.1 Å²	144.1	86%	0.86	74%	0.743	S	S	*	*			trans	105.9	135	142.9	-105	-171.1	172.8	168	-1.7	121.1
1745	T	29.8	Very low	30.3	Very low	103 Å²	103	149.6 Å²	149.6	63%	0.632	75%	0.75	S	S	*	*			trans	71.2	112.8	148.3	45.7	0	0	0	0	122.4
1746	K	31.1	Very low	30	Very low	162 Å²	162	147 Å²	147	70%	0.704	76%	0.755	S	S	*	*				71	142.1	123.6	-74.7	173	157.3	-96.5	0	118.3
1747	E	29.3	Very low	30	Very low	142 Å²	142	143.6 Å²	143.6	66%	0.664	75%	0.753	S	S	*	*			cis	-157.7	175	0.3	-141.5	151.7	167.1	0	0	114.5
1748	V	30.6	Very low	29.7	Very low	113 Å²	113	145.3 Å²	145.3	69%	0.685	76%	0.757	S	S	*	*			trans	75.6	119.7	142.5	-159.7	0	0	0	0	122.1
1749	N	30.4	Very low	29.7	Very low	136 Å²	136	149.5 Å²	149.5	73%	0.727	77%	0.768	S	S	*	*			trans	64.8	154.3	156	-74	-15.4	0	0	0	120.1
1750	K	29.8	Very low	29.5	Very low	178 Å²	178	145.1 Å²	145.1	77%	0.774	75%	0.749	S	S	*	*			cis	177.2	-178.9	-34.6	-118.2	-174.5	-175.7	173.4	0	105.6
1751	I	29.9	Very low	29.5	Very low	160 Å²	160	147.2 Å²	147.2	82%	0.821	75%	0.753	S	S	*	*			trans	74	134.8	169.8	-55.1	173.3	0	0	0	114.1
1752	V	29.6	Very low	29.3	Very low	115 Å²	115	143.1 Å²	143.1	70%	0.697	74%	0.737	S	S	*	*			cis	-157.6	171.3	-33.2	98.4	0	0	0	0	110.3
1753	Q	25.9	Very low	29.2	Very low	173 Å²	173	138.8 Å²	138.8	81%	0.808	73%	0.725	S	S	*	*			trans	-25.9	147.7	170.8	-53.7	150.3	8.4	0	0	118.8
1754	S	31.6	Very low	29.1	Very low	121 Å²	121	137.8 Å²	137.8	85%	0.846	71%	0.714	S	S	*	*				-161.3	136.8	119.6	58.9	0	0	0	0	112.3
1755	K	27.5	Very low	28.9	Very low	208 Å²	208	135 Å²	135	90%	0.904	71%	0.711	S	S	*	*			trans	-102.1	142.8	165.8	-58.3	172.9	179.1	176.4	0	109.3
1756	S	27.7	Very low	28.8	Very low	126 Å²	126	136.4 Å²	136.4	88%	0.881	72%	0.715	S	S	*	*			trans	171.8	161.6	145.7	52.4	0	0	0	0	112.2
1757	G	33.4	Very low	28.8	Very low	67 Å²	67	132.1 Å²	132.1	69%	0.691	70%	0.702	S	S	*	*			trans	79.4	98.1	173.9	0	0	0	0	0	113.7
1758	Q	27.5	Very low	29	Very low	172 Å²	172	132 Å²	132	80%	0.804	71%	0.706	S	S	*	*			cis	73.4	132.1	47.5	-67.3	-171.8	-75.2	0	0	117
1759	Q	29.9	Very low	29	Very low	166 Å²	166	135 Å²	135	78%	0.776	71%	0.71	S	S	*	*			trans	72.2	102.8	147.9	-75.1	166.5	-21.8	0	0	120.5
1760	S	25	Very low	28.9	Very low	56 Å²	56	135.3 Å²	135.3	39%	0.392	71%	0.71	S	S	.	*			trans	-48.2	147.6	139.8	47	0	0	0	0	114.8
1761	L	31.2	Very low	29	Very low	127 Å²	127	130.6 Å²	130.6	67%	0.665	70%	0.7	S	S	*	*				-155.7	139.4	122.8	-111.2	86.7	0	0	0	104.6
1762	E	26.7	Very low	29	Very low	98 Å²	98	130 Å²	130	46%	0.458	70%	0.697	S	S	.	*				63.1	139.8	66.1	-63.6	-136.8	128.3	0	0	114
1763	K	27	Very low	29	Very low	155 Å²	155	129.4 Å²	129.4	67%	0.674	70%	0.697	S	S	*	*			cis	-176.5	-170.7	-20.3	-132.8	-177.1	-154.1	158.2	0	108.1
1764	T	26.2	Very low	29.1	Very low	88 Å²	88	125.9 Å²	125.9	54%	0.54	69%	0.691	S	S	.	*			trans	55	110.6	143.2	56.3	0	0	0	0	118.9
1765	E	27.3	Very low	29	Very low	169 Å²	169	127 Å²	127	79%	0.79	69%	0.688	S	S	*	*				79.7	168.5	87.9	-65.6	156.8	-161.2	0	0	112.1
1766	D	27.9	Very low	29.2	Very low	132 Å²	132	121.9 Å²	121.9	71%	0.706	67%	0.674	S	S	*	*			cis	-157.9	-170.5	0.3	-147.8	-9.6	0	0	0	113.1
1767	T	31.4	Very low	29.3	Very low	73 Å²	73	119.9 Å²	119.9	45%	0.448	65%	0.654	S	S	.	*			trans	105.7	118.9	143.3	71.8	0	0	0	0	118.5
1768	N	33.5	Very low	29.1	Very low	138 Å²	138	123.2 Å²	123.2	74%	0.738	66%	0.655	S	S	*	*	S	Bend		-172.7	123.3	100.5	-103.2	-79.2	0	0	0	108
1769	K	29.9	Very low	29.2	Very low	178 Å²	178	122 Å²	122	77%	0.774	65%	0.651	S	S	*	*	S	Bend	cis	-143.6	143	23.7	-83.8	174.3	-175.8	177.7	0	108.5
1770	I	28.9	Very low	29.2	Very low	142 Å²	142	118.4 Å²	118.4	73%	0.728	64%	0.644	S	S	*	*	S	Bend	cis	-145.3	131.4	15.3	-95	137.2	0	0	0	109.7
1771	S	31.2	Very low	29.2	Very low	79 Å²	79	120.3 Å²	120.3	55%	0.552	66%	0.658	S	S	*	*			trans	27.5	149.7	152.6	72.6	0	0	0	0	123.9
1772	L	29.1	Very low	29	Very low	146 Å²	146	119.5 Å²	119.5	76%	0.764	66%	0.662	S	S	*	*			cis	-173.2	159.1	-10.6	-107.7	169.8	0	0	0	109.1
1773	C	29.5	Very low	28.9	Very low	103 Å²	103	122.4 Å²	122.4	70%	0.696	68%	0.68	S	S	*	*			trans	72.6	109.7	155.4	-64.4	0	0	0	0	123.3
1774	S	27.8	Very low	28.7	Very low	99 Å²	99	120.2 Å²	120.2	69%	0.692	69%	0.685	S	S	*	*				62.8	115.3	117.2	-40.6	0	0	0	0	123.9
1775	N	30.2	Very low	28.7	Very low	145 Å²	145	121.3 Å²	121.3	78%	0.775	70%	0.696	S	S	*	*				160.4	123.2	113.1	-84.2	-8	0	0	0	117.3
1776	T	32.2	Very low	28.7	Very low	101 Å²	101	120.1 Å²	120.1	62%	0.62	69%	0.69	S	S	*	*			trans	58.8	111.2	135.8	64.7	0	0	0	0	124.8
1777	D	29.9	Very low	28.8	Very low	83 Å²	83	118 Å²	118	44%	0.444	68%	0.682	S	S	.	*				92.1	139.1	114	-87.9	-48.3	0	0	0	127.8
1778	L	29.9	Very low	28.6	Very low	138 Å²	138	119.3 Å²	119.3	72%	0.723	69%	0.686	S	S	*	*			trans	57.8	154.2	147.5	-61	177.1	0	0	0	122.1
1779	M	29	Very low	28.4	Very low	147 Å²	147	122.2 Å²	122.2	72%	0.724	69%	0.688	S	S	*	*			cis	-160.7	-171.8	-34.4	-118.3	-59.1	166.9	0	0	110.4
1780	S	28.5	Very low	28.4	Very low	90 Å²	90	121.5 Å²	121.5	63%	0.629	69%	0.692	S	S	*	*			trans	-119.5	169.8	-164.6	66.7	0	0	0	0	119
1781	S	26.9	Very low	28.3	Very low	96 Å²	96	121 Å²	121	67%	0.671	69%	0.691	S	S	*	*			trans	77.9	118.2	142.1	48.9	0	0	0	0	123.6
1782	S	25.9	Very low	28.5	Very low	109 Å²	109	125.2 Å²	125.2	76%	0.762	71%	0.707	S	S	*	*				76.7	118.1	125.9	-58	0	0	0	0	124.3
1783	L	24.7	Very low	28.6	Very low	160 Å²	160	124.9 Å²	124.9	84%	0.838	71%	0.706	S	S	*	*			trans	75.8	116.3	141.2	-64.7	173.6	0	0	0	122.9
1784	S	22.9	Very low	28.6	Very low	109 Å²	109	125.8 Å²	125.8	76%	0.762	71%	0.708	S	S	*	*			trans	74.2	141.1	140.5	49.7	0	0	0	0	124.1
1785	S	26.2	Very low	29.3	Very low	110 Å²	110	126.8 Å²	126.8	77%	0.769	71%	0.712	S	S	*	*			trans	67.1	83.9	154.3	47.8	0	0	0	0	121.8
1786	E	26.7	Very low	29.1	Very low	145 Å²	145	126.7 Å²	126.7	68%	0.678	71%	0.711	S	S	*	*				42.5	136.4	118.6	-110.7	-178.9	140.4	0	0	124.7	N1844	E1786-N1844 PolarHBondContact OE1-ND2 2.85Å
1787	V	29.5	Very low	29	Very low	87 Å²	87	127.1 Å²	127.1	53%	0.527	71%	0.714	S	S	.	*			trans	69.8	98	154.2	-70.4	0	0	0	0	124.9
1788	N	29.2	Very low	29	Very low	101 Å²	101	131.9 Å²	131.9	54%	0.54	73%	0.734	S	S	.	*				95.5	127.6	109.2	-74.5	1.4	0	0	0	125.9
1789	Y	28.7	Very low	29.1	Very low	199 Å²	199	129.2 Å²	129.2	78%	0.78	73%	0.731	S	S	*	*			trans	63	118.8	144.6	-66.8	-56.8	0	0	0	124.1
1790	L	29.1	Very low	29	Very low	163 Å²	163	131.1 Å²	131.1	85%	0.853	74%	0.739	S	S	*	*				-158.1	178.8	115.5	-113.1	164.9	0	0	0	111.8
1791	N	28	Very low	29.1	Very low	131 Å²	131	132.1 Å²	132.1	70%	0.701	74%	0.741	S	S	*	*			trans	-93.8	162.3	-158	-58.5	-28.1	0	0	0	115.8
1792	D	34	Very low	28.9	Very low	167 Å²	167	136 Å²	136	89%	0.893	75%	0.747	S	S	*	*			trans	-149.8	162.2	135.9	-127.9	-28.6	0	0	0	110.9
1793	N	31.2	Very low	29.1	Very low	140 Å²	140	137 Å²	137	75%	0.749	74%	0.744	S	S	*	*			trans	-127.4	162.1	-156.7	-118	-28.6	0	0	0	118.5
1794	V	30.9	Very low	29.2	Very low	122 Å²	122	137.6 Å²	137.6	74%	0.739	74%	0.742	S	S	*	*			trans	-64.4	152.5	-171.8	-147.1	0	0	0	0	115.1
1795	P	41.3	Very low	29.3	Very low	119 Å²	119	140.7 Å²	140.7	77%	0.773	75%	0.745	S	S	*	*				-141.5	163.8	117.5	37.9	-26.7	0	0	0	113.4
1796	N	26.2	Very low	29.5	Very low	143 Å²	143	140.7 Å²	140.7	77%	0.765	74%	0.74	S	S	*	*			cis	-170.9	173.5	-23.4	-173.8	21.6	0	0	0	107.6
1797	V	30.6	Very low	29.4	Very low	111 Å²	111	140 Å²	140	67%	0.673	74%	0.741	S	S	*	*			trans	71.2	118.6	174.1	-171.1	0	0	0	0	112.9
1798	E	29.2	Very low	29.4	Very low	183 Å²	183	143.4 Å²	143.4	86%	0.855	76%	0.755	S	S	*	*			cis	-153.1	-179.7	16.2	-135	169.8	-106.7	0	0	108
1799	A	33.1	Very low	29.3	Very low	82 Å²	82	144.8 Å²	144.8	68%	0.678	76%	0.758	S	S	*	*			cis	-156.4	-176.1	7.3	0	0	0	0	0	111.5
1800	E	26.7	Very low	29.2	Very low	187 Å²	187	142.3 Å²	142.3	87%	0.874	75%	0.751	S	S	*	*			trans	-95.8	-179.6	173.4	-55.5	170.3	123.3	0	0	110.4
1801	V	30	Very low	29	Very low	111 Å²	111	140.4 Å²	140.4	67%	0.673	75%	0.746	S	S	*	*			cis	-148.7	132.7	23	179.3	0	0	0	0	106	L1803	V1801-L1803 HydrophobicContact CG1-CD1 4.4Å
1802	H	23.7	Very low	28.9	Very low	176 Å²	176	142.7 Å²	142.7	82%	0.815	75%	0.75	S	S	*	*				58.4	157.1	82.8	-121.4	-89.3	0	0	0	116.6
1803	L	28.6	Very low	28.6	Very low	132 Å²	132	140 Å²	140	69%	0.691	74%	0.739	S	S	*	*			trans	74.5	149.5	176.3	-49.6	165	0	0	0	115	V1801	V1801-L1803 HydrophobicContact CG1-CD1 4.4Å
1804	E	27.2	Very low	28.2	Very low	172 Å²	172	139.9 Å²	139.9	80%	0.804	74%	0.739	S	S	*	*			cis	-148.8	174.6	-10.4	-135.8	171.5	-156.1	0	0	113.2
1805	E	24.9	Very low	28.1	Very low	173 Å²	173	140.4 Å²	140.4	81%	0.808	74%	0.742	S	S	*	*			trans	-79.7	171	-178.8	-59	-175.2	123.6	0	0	114.6
1806	T	30	Very low	27.5	Very low	110 Å²	110	139.3 Å²	139.3	68%	0.675	74%	0.737	S	S	*	*			trans	-23.6	163.6	160.5	67.7	0	0	0	0	120.5
1807	N	25.6	Very low	27.8	Very low	130 Å²	130	139.5 Å²	139.5	70%	0.695	74%	0.737	S	S	*	*			trans	72.5	109.3	160	-64.2	-63	0	0	0	117.8
1808	I	30.2	Very low	27.8	Very low	159 Å²	159	139.7 Å²	139.7	82%	0.815	73%	0.734	S	S	*	*				-179.5	112.1	110.3	-91.6	154.8	0	0	0	106.3
1809	H	26.5	Very low	28	Very low	130 Å²	130	134 Å²	134	60%	0.602	71%	0.71	S	S	*	*				57.5	129.5	82.9	-84.2	21.3	0	0	0	113
1810	K	25.2	Very low	27.9	Very low	148 Å²	148	134.9 Å²	134.9	64%	0.643	70%	0.7	S	S	*	*			cis	-171.2	174.8	1.6	-135.1	170.8	-172.6	153.9	0	108.7
1811	T	26	Very low	28.3	Very low	122 Å²	122	130.6 Å²	130.6	75%	0.748	68%	0.682	S	S	*	*			trans	68	148.8	148.1	47.5	0	0	0	0	120.7
1812	K	26	Very low	28.3	Very low	179 Å²	179	128.6 Å²	128.6	78%	0.778	67%	0.673	S	S	*	*			cis	-175.7	172.4	-18.6	-165.8	178.7	-174.6	-176.8	0	110.3
1813	V	27.3	Very low	28.9	Very low	111 Å²	111	128.5 Å²	128.5	67%	0.673	67%	0.673	S	S	*	*			trans	97.9	80.3	154.1	-163.2	0	0	0	0	118.6
1814	N	22.5	Very low	29.1	Very low	138 Å²	138	128.9 Å²	128.9	74%	0.738	68%	0.676	S	S	*	*				61	164.3	113.1	-60	24.4	0	0	0	124.2
1815	V	29.5	Very low	29.5	Very low	133 Å²	133	126.2 Å²	126.2	81%	0.806	67%	0.671	S	S	*	*			trans	91	115.5	164.5	-172.4	0	0	0	0	114.6
1816	S	27.7	Very low	29.6	Very low	96 Å²	96	124.4 Å²	124.4	67%	0.671	66%	0.663	S	S	*	*			cis	-166	158.8	-4.8	-112.6	0	0	0	0	114.3
1817	L	32.9	Very low	29.4	Very low	147 Å²	147	125.1 Å²	125.1	77%	0.77	66%	0.661	S	S	*	*			trans	78.7	126.4	149.3	-67.6	160.5	0	0	0	123.5
1818	D	31.1	Very low	29.4	Very low	114 Å²	114	126.2 Å²	126.2	61%	0.61	67%	0.667	S	S	*	*			trans	90.3	75	141.2	-53.6	-17	0	0	0	124.8	K1475	K1475-D1818 PolarHBondContact NZ-O 3.38Å
1819	N	34.2	Very low	29.1	Very low	64 Å²	64	127.5 Å²	127.5	34%	0.342	67%	0.67	S	S	.	*				53.2	150	102.9	-56.2	-4	0	0	0	121.8	E1473 N1474 K1475	E1473-N1819 VanDerWaalsContact CD-ND2 3.3Å; E1473-N1819 WeakPolarHBondContact CG-ND2 3.48Å; E1473-N1819 PolarHBondContact OE1-ND2 2.69Å; E1473-N1819 PolarHBondContact OE1-OD1 3.15Å; E1473-N1819 PolarHBondContact OE2-OD1 3.19Å; N1474-N1819 PolarHBondContact ND2-OD1 3Å; N1474-N1819 WeakPolarHBondContact OD1-CA 3.2Å; K1475-N1819 PolarHBondContact NZ-O 2.79Å
1820	E	31.2	Very low	29.3	Very low	100 Å²	100	129.4 Å²	129.4	47%	0.467	68%	0.683	S	S	.	*			cis	-147.8	-148.9	0.3	-144.8	-162.5	42.2	0	0	114.1	E1473 K1475	E1473-E1820 PolarHBondContact N-OE2 2.86Å; K1475-E1820 VanDerWaalsContact CD-O 3.23Å; K1475-E1820 WeakPolarHBondContact CD-O 3.27Å; K1475-E1820 WeakPolarHBondContact CG-O 3.43Å
1821	I	33.2	Very low	29.2	Very low	97 Å²	97	128.8 Å²	128.8	50%	0.497	69%	0.686	S	S	.	*			trans	-87.4	-172.3	-173.7	5.2	175.1	0	0	0	113.8
1822	S	31.5	Very low	29.3	Very low	69 Å²	69	129.7 Å²	129.7	48%	0.483	69%	0.686	S	S	.	*			cis	-144.4	-152.7	14.9	-160.8	0	0	0	0	109.4
1823	E	34.9	Very low	29.3	Very low	174 Å²	174	126.5 Å²	126.5	81%	0.813	69%	0.686	S	S	*	*			cis	-161.4	162.9	-3	-159.1	132.3	-70.7	0	0	110.3
1824	D	34.3	Very low	29.3	Very low	141 Å²	141	129.1 Å²	129.1	75%	0.754	70%	0.695	S	S	*	*			trans	-160.3	-164	171.8	-163.6	34.1	0	0	0	110.4
1825	T	34.2	Very low	29.5	Very low	116 Å²	116	131.9 Å²	131.9	71%	0.712	70%	0.7	S	S	*	*			cis	-162.2	159.5	18.5	-48.4	0	0	0	0	111.8
1826	E	28.1	Very low	29.4	Very low	135 Å²	135	134 Å²	134	63%	0.631	70%	0.701	S	S	*	*			trans	-107.5	134.6	160.5	-178.2	176.7	-139.4	0	0	111.5
1827	I	26.3	Very low	29.4	Very low	125 Å²	125	138.3 Å²	138.3	64%	0.641	71%	0.71	S	S	*	*			trans	34.7	117.7	164.5	-55.6	162.5	0	0	0	118.2
1828	N	25.1	Very low	29.2	Very low	153 Å²	153	136.1 Å²	136.1	82%	0.818	70%	0.703	S	S	*	*				-168.2	159.6	118.4	-103.5	-55.6	0	0	0	114.2
1829	E	23.8	Very low	29	Very low	186 Å²	186	136.9 Å²	136.9	87%	0.869	71%	0.706	S	S	*	*			trans	-73.3	150.2	164.6	-70.7	170.9	113.8	0	0	110.3
1830	I	31.2	Very low	28.9	Very low	170 Å²	170	140.9 Å²	140.9	87%	0.872	72%	0.723	S	S	*	*			trans	-79.3	139.2	169	-70.6	175	0	0	0	108.9
1831	D	23.5	Very low	28.8	Very low	135 Å²	135	140.8 Å²	140.8	72%	0.722	73%	0.733	S	S	*	*			trans	-64.3	179.7	178.3	-169.9	12.6	0	0	0	112.9
1832	L	26.4	Very low	28.5	Very low	141 Å²	141	141.5 Å²	141.5	74%	0.738	75%	0.747	S	S	*	*			trans	75.7	60.8	164.8	-47.4	179.7	0	0	0	116.8
1833	S	27.2	Very low	28.4	Very low	111 Å²	111	145.1 Å²	145.1	78%	0.776	76%	0.758	S	S	*	*				175.5	88.2	103.5	-76.7	0	0	0	0	114.9
1834	I	27.7	Very low	28	Very low	167 Å²	167	141.2 Å²	141.2	86%	0.856	74%	0.742	S	S	*	*			trans	-126.9	101.5	133.1	-62.2	-176.3	0	0	0	107.3	Q1836	I1834-Q1836 PolarHBondContact O-N 3.42Å
1835	K	25.3	Very low	27.7	Very low	196 Å²	196	137.6 Å²	137.6	85%	0.852	73%	0.728	S	S	*	*			trans	-74	108	159.7	-75.1	-178.4	178.7	177.8	0	107.7
1836	Q	28	Very low	27.4	Very low	178 Å²	178	137.6 Å²	137.6	83%	0.832	73%	0.733	S	S	*	*			trans	178.4	165.5	135.9	-99.1	161.5	7.3	0	0	111.4	I1834	I1834-Q1836 PolarHBondContact O-N 3.42Å
1837	E	27.5	Very low	27.4	Very low	185 Å²	185	135.6 Å²	135.6	86%	0.864	74%	0.74	S	S	*	*			trans	73.9	129.6	-163.5	-61.2	-161.4	-159.4	0	0	115
1838	T	28.8	Very low	27.8	Very low	101 Å²	101	134.9 Å²	134.9	62%	0.62	74%	0.743	S	S	*	*			cis	-159.1	124.8	-5.7	-95.7	0	0	0	0	108.9
1839	I	27.6	Very low	27.8	Very low	131 Å²	131	135.4 Å²	135.4	67%	0.672	74%	0.74	S	S	*	*				32.9	134.9	117.1	-83.7	155.7	0	0	0	117.2
1840	E	31.5	Very low	27.9	Very low	148 Å²	148	133.7 Å²	133.7	69%	0.692	74%	0.736	S	S	*	*			cis	-149.8	147.8	0.8	-97.7	146.9	-159.5	0	0	107.1
1841	S	30	Very low	28	Very low	98 Å²	98	130.8 Å²	130.8	69%	0.685	73%	0.731	S	S	*	*				79.2	137.4	54.5	117.2	0	0	0	0	115.2
1842	S	26.9	Very low	28.6	Very low	111 Å²	111	129.8 Å²	129.8	78%	0.776	73%	0.732	S	S	*	*	S	Bend	trans	-157.2	129.8	152.2	65.6	0	0	0	0	111.2
1843	M	27.5	Very low	28.5	Very low	145 Å²	145	131.7 Å²	131.7	71%	0.714	74%	0.737	S	S	*	*			cis	-166	153.9	-10.1	-127.3	173.3	-178.1	0	0	110.4
1844	N	27.1	Very low	28.7	Very low	92 Å²	92	133.6 Å²	133.6	49%	0.492	74%	0.737	S	S	.	*			trans	61.8	141.2	149.4	-61.7	-5.6	0	0	0	120.4	E1786	E1786-N1844 PolarHBondContact OE1-ND2 2.85Å
1845	S	29	Very low	28.9	Very low	65 Å²	65	132.2 Å²	132.2	46%	0.455	73%	0.73	S	S	.	*			cis	-163.2	142.5	-5.2	41.1	0	0	0	0	114.8
1846	S	27	Very low	29	Very low	116 Å²	116	129.5 Å²	129.5	81%	0.811	73%	0.725	S	S	*	*			trans	51.9	117.2	134.3	-53.3	0	0	0	0	125.2
1847	A	28.3	Very low	29	Very low	94 Å²	94	128 Å²	128	78%	0.777	72%	0.722	S	S	*	*			trans	74.2	166	130.1	0	0	0	0	0	119.7
1848	P	33.7	Very low	29	Very low	110 Å²	110	126.2 Å²	126.2	71%	0.714	72%	0.719	S	S	*	*			cis	-128.2	-163.7	-11.1	23.6	2	0	0	0	113.8
1849	H	26.5	Very low	29.3	Very low	164 Å²	164	126.9 Å²	126.9	76%	0.759	72%	0.723	S	S	*	*			trans	79.1	127.2	162.2	-84	-96.4	0	0	0	122
1850	L	25.8	Very low	29.3	Very low	150 Å²	150	128.7 Å²	128.7	79%	0.785	73%	0.728	S	S	*	*			trans	56.2	136	139.6	-63.3	169.4	0	0	0	122.4
1851	S	33.8	Very low	29.2	Very low	109 Å²	109	125.7 Å²	125.7	76%	0.762	72%	0.72	S	S	*	*			trans	-78.1	144.5	163	-50.5	0	0	0	0	111.9
1852	P	35.3	Very low	29.3	Very low	113 Å²	113	128.4 Å²	128.4	73%	0.734	73%	0.727	S	S	*	*				-96.9	140.3	126.8	32.7	-27.4	0	0	0	108.5
1853	E	24.5	Very low	29.4	Very low	181 Å²	181	128.8 Å²	128.8	85%	0.846	72%	0.72	S	S	*	*			cis	61.6	91.4	22.8	-162.1	169.6	-114.2	0	0	113.7
1854	I	31.5	Very low	29.4	Very low	151 Å²	151	125.8 Å²	125.8	77%	0.774	71%	0.713	S	S	*	*			trans	-162.9	107.8	147.4	-102.4	151.3	0	0	0	110.6
1855	I	31.5	Very low	29.5	Very low	139 Å²	139	129.8 Å²	129.8	71%	0.713	73%	0.729	S	S	*	*			trans	53.9	83.9	134.8	-46.4	172.1	0	0	0	118.5
1856	D	26.8	Very low	29.6	Very low	138 Å²	138	132.6 Å²	132.6	74%	0.738	74%	0.743	S	S	*	*				41.9	143.4	95.2	-52.8	-32.8	0	0	0	123.7
1857	D	28.1	Very low	29.5	Very low	146 Å²	146	134.1 Å²	134.1	78%	0.781	74%	0.742	S	S	*	*			trans	71.8	115	139.7	-75	-2.3	0	0	0	124.8
1858	N	28.8	Very low	29.5	Very low	148 Å²	148	137.9 Å²	137.9	79%	0.791	74%	0.744	S	S	*	*				-151	144.8	127.5	-90	-82.1	0	0	0	105.2
1859	T	34.2	Very low	29	Very low	115 Å²	115	140 Å²	140	71%	0.706	75%	0.748	S	S	*	*			cis	-156.4	137.2	30	-29.9	0	0	0	0	105.6
1860	Q	27.4	Very low	29	Very low	169 Å²	169	141 Å²	141	79%	0.79	75%	0.753	S	S	*	*				36.7	142.6	89.5	-69.6	-169.8	10	0	0	115.5
1861	V	30.7	Very low	29.4	Very low	85 Å²	85	139.5 Å²	139.5	52%	0.515	75%	0.75	S	S	.	*			cis	-160	160.4	1.8	109.4	0	0	0	0	111.7	D1863	V1861-D1863 WeakPolarHBondContact CG1-OD2 3.43Å; V1861-D1863 VanDerWaalsContact CG2-OD1 3.29Å; V1861-D1863 WeakPolarHBondContact CG2-OD1 3.33Å
1862	N	30.6	Very low	29.2	Very low	155 Å²	155	141.7 Å²	141.7	83%	0.829	75%	0.749	S	S	*	*	S	Bend	trans	160.8	62.1	152	-88.3	-25.9	0	0	0	108.5
1863	D	30	Very low	28.9	Very low	120 Å²	120	142.1 Å²	142.1	64%	0.642	75%	0.745	S	S	*	*				82.7	141.6	78.8	-81.7	-8.4	0	0	0	114.9	V1861	V1861-D1863 WeakPolarHBondContact CG1-OD2 3.43Å; V1861-D1863 VanDerWaalsContact CG2-OD1 3.29Å; V1861-D1863 WeakPolarHBondContact CG2-OD1 3.33Å
1864	S	26.9	Very low	29.2	Very low	81 Å²	81	140.9 Å²	140.9	57%	0.566	74%	0.742	S	S	*	*			cis	-172	176.1	-16.8	50	0	0	0	0	110
1865	H	29.8	Very low	28.8	Very low	177 Å²	177	138.5 Å²	138.5	82%	0.819	74%	0.739	S	S	*	*			trans	66.9	153.9	170	-70.9	-79.1	0	0	0	117.4
1866	V	31.5	Very low	29.5	Very low	124 Å²	124	137 Å²	137	75%	0.752	74%	0.738	S	S	*	*			cis	-132.3	172.5	3.2	-170.5	0	0	0	0	110
1867	N	24.2	Very low	29.5	Very low	148 Å²	148	136.7 Å²	136.7	79%	0.791	74%	0.741	S	S	*	*			trans	-60.9	-175.6	163	-56.2	-40.5	0	0	0	114.3
1868	E	27.8	Very low	29.3	Very low	173 Å²	173	134.5 Å²	134.5	81%	0.808	74%	0.738	S	S	*	*			trans	80	96.7	158.7	-142.9	158.7	-153.9	0	0	114.2
1869	L	22.8	Very low	29.2	Very low	154 Å²	154	135.1 Å²	135.1	81%	0.806	74%	0.739	S	S	*	*				77.8	146.8	83.7	-83.8	171.7	0	0	0	115
1870	Q	27.1	Very low	28.8	Very low	184 Å²	184	134.9 Å²	134.9	86%	0.86	74%	0.738	S	S	*	*			trans	69.1	121.8	-178.6	-49.7	-177.9	10.8	0	0	113.5
1871	T	33.8	Very low	28.7	Very low	119 Å²	119	133.4 Å²	133.4	73%	0.73	73%	0.732	S	S	*	*	S	Bend	cis	-141.5	136.2	5	52.3	0	0	0	0	109.4
1872	E	29.3	Very low	28.8	Very low	156 Å²	156	138.4 Å²	138.4	73%	0.729	75%	0.75	S	S	*	*			cis	-157.7	146.5	-1.9	-107.7	-172.5	-131.2	0	0	109.2
1873	N	29.4	Very low	28.8	Very low	122 Å²	122	135 Å²	135	65%	0.652	73%	0.731	S	S	*	*			trans	49.4	143.3	138.3	-58.2	-30.4	0	0	0	121.6
1874	I	31.7	Very low	28.6	Very low	154 Å²	154	139.3 Å²	139.3	79%	0.79	74%	0.739	S	S	*	*			cis	-156.5	175.1	-6.1	-117.9	163.9	0	0	0	108.2
1875	S	23.3	Very low	28.6	Very low	101 Å²	101	144.4 Å²	144.4	71%	0.706	75%	0.754	S	S	*	*			trans	-86.5	-139.8	177.4	-167.4	0	0	0	0	113.4
1876	P	45.6	Very low	28.5	Very low	108 Å²	108	144.5 Å²	144.5	70%	0.701	75%	0.754	S	S	*	*				-98.4	-160	-128	42.7	-32.7	0	0	0	113.3
1877	T	26.5	Very low	28.6	Very low	131 Å²	131	148.4 Å²	148.4	80%	0.804	76%	0.761	S	S	*	*			trans	97.2	168.2	173.7	-36.1	0	0	0	0	114.2
1878	S	23	Very low	28.7	Very low	100 Å²	100	148.2 Å²	148.2	70%	0.699	77%	0.765	S	S	*	*			trans	-49.1	171.5	-172.4	-49.6	0	0	0	0	117.7
1879	I	27.5	Very low	29	Very low	161 Å²	161	147.4 Å²	147.4	83%	0.826	76%	0.759	S	S	*	*			trans	86.5	142.7	166.9	-56.2	170.5	0	0	0	113.9
1880	T	26.6	Very low	29.4	Very low	111 Å²	111	149.7 Å²	149.7	68%	0.681	76%	0.763	S	S	*	*			cis	167.6	134.2	-38.9	-94.6	0	0	0	0	107.1
1881	M	25.3	Very low	29.5	Very low	137 Å²	137	146.9 Å²	146.9	68%	0.675	75%	0.75	S	S	*	*			trans	80.3	143.9	179.1	-42.2	-149.2	-60.3	0	0	117.7	N1883	M1881-N1883 HydrophobicContact CB-CB 3.7Å; M1881-N1883 HydrophobicContact CG-CB 3.76Å; M1881-N1883 HydrophobicContact SD-CB 3.93Å; M1881-N1883 PolarHBondContact SD-ND2 2.94Å
1882	H	32.5	Very low	29.2	Very low	191 Å²	191	149.6 Å²	149.6	88%	0.884	75%	0.754	S	S	*	*	S	Bend	cis	-75	118.1	-4.9	-75.5	-104.8	0	0	0	110.9
1883	N	29.8	Very low	29.1	Very low	82 Å²	82	151 Å²	151	44%	0.439	76%	0.76	S	S	.	*			cis	74.5	125.7	37.6	-141.2	44.4	0	0	0	112.2	M1881	M1881-N1883 HydrophobicContact CB-CB 3.7Å; M1881-N1883 HydrophobicContact CG-CB 3.76Å; M1881-N1883 HydrophobicContact SD-CB 3.93Å; M1881-N1883 PolarHBondContact SD-ND2 2.94Å
1884	R	26.1	Very low	29.1	Very low	212 Å²	212	154.1 Å²	154.1	80%	0.8	77%	0.771	S	S	*	*			cis	-157.1	126.4	8	-159	172.5	-151.3	178	2.2	111.7
1885	Q	26.1	Very low	29	Very low	187 Å²	187	155.1 Å²	155.1	87%	0.874	77%	0.772	S	S	*	*	S	Bend	trans	-161	109.7	144.3	-114	167.6	3.5	0	0	109.9
1886	E	29.2	Very low	29.3	Very low	179 Å²	179	156.9 Å²	156.9	84%	0.836	78%	0.779	S	S	*	*	S	Bend	trans	52.2	87.2	159.8	-53.7	-168.5	146.5	0	0	120.4
1887	K	31.9	Very low	28.6	Very low	206 Å²	206	155.7 Å²	155.7	90%	0.896	79%	0.786	S	S	*	*				-178.3	151.1	98.9	-97.8	178.6	178.6	-176.4	0	112.3
1888	V	26.7	Very low	28.8	Very low	145 Å²	145	157.4 Å²	157.4	88%	0.879	79%	0.785	S	S	*	*			trans	-111	143.9	166.3	175.4	0	0	0	0	107.9
1889	K	35.6	Very low	29.2	Very low	156 Å²	156	160.6 Å²	160.6	68%	0.678	79%	0.787	S	S	*	*			trans	-97.2	136.9	-179.8	-90.8	-169.3	165.4	-151.2	0	112.7	E1891	K1889-E1891 WeakPolarHBondContact CD-OE1 3.11Å; K1889-E1891 WeakPolarHBondContact CE-OE1 3.41Å; K1889-E1891 IonicContact NZ-OE1 2.63Å; K1889-E1891 PolarHBondContact NZ-OE1 3.07Å; K1889-E1891 IonicContact NZ-OE2 2.82Å; K1889-E1891 PolarHBondContact NZ-OE2 3.17Å
1890	K	29.4	Very low	29.3	Very low	202 Å²	202	158.5 Å²	158.5	88%	0.878	78%	0.776	S	S	*	*			trans	-166.1	116.3	137.2	-94.9	-173	178.1	-166.2	0	103.3
1891	E	29.3	Very low	29.7	Very low	125 Å²	125	162.6 Å²	162.6	58%	0.584	78%	0.779	S	S	*	*			cis	60.7	130.8	44.1	-83.1	150.2	-140.8	0	0	112.8	K1889	K1889-E1891 WeakPolarHBondContact CD-OE1 3.11Å; K1889-E1891 WeakPolarHBondContact CE-OE1 3.41Å; K1889-E1891 IonicContact NZ-OE1 2.63Å; K1889-E1891 PolarHBondContact NZ-OE1 3.07Å; K1889-E1891 IonicContact NZ-OE2 2.82Å; K1889-E1891 PolarHBondContact NZ-OE2 3.17Å
1892	E	28	Very low	30	Very low	176 Å²	176	162.4 Å²	162.4	82%	0.822	78%	0.776	S	S	*	*			trans	-40.9	157.5	-163.7	-70.6	106.8	-163.6	0	0	116.5
1893	E	28.2	Very low	30.2	Very low	185 Å²	185	159 Å²	159	86%	0.864	76%	0.764	S	S	*	*			cis	-150.9	-136.8	33.4	-150	158.5	-146.1	0	0	112.4
1894	E	29.3	Very low	30.6	Very low	187 Å²	187	163 Å²	163	87%	0.874	78%	0.78	S	S	*	*			trans	-72.8	175.6	178.5	-69.3	-171	103.9	0	0	114.9
1895	E	29.4	Very low	31.2	Very low	175 Å²	175	156 Å²	156	82%	0.818	77%	0.774	S	S	*	*			trans	65.4	94.7	169.1	-64.5	-156.3	121.1	0	0	120.6
1896	T	29.4	Very low	31.3	Very low	138 Å²	138	154.4 Å²	154.4	85%	0.847	77%	0.77	S	S	*	*				37.3	117	126.3	59.1	0	0	0	0	121
1897	G	31	Very low	32.1	Very low	83 Å²	83	150.6 Å²	150.6	86%	0.856	76%	0.76	S	S	*	*			trans	-172.9	100.1	167.7	0	0	0	0	0	116.9
1898	Q	30.2	Very low	31.9	Very low	168 Å²	168	147.2 Å²	147.2	79%	0.785	75%	0.752	S	S	*	*			trans	-60.9	154.5	-174	-70.8	-176.5	-4.2	0	0	119.6
1899	K	31	Very low	32.5	Very low	167 Å²	167	147.9 Å²	147.9	73%	0.726	75%	0.751	S	S	*	*			trans	81.5	129.6	132.1	-84.4	177.7	168.3	-174.2	0	124.2
1900	I	29.6	Very low	32.4	Very low	116 Å²	116	147.8 Å²	147.8	60%	0.595	76%	0.758	S	S	*	*			trans	64.7	116.3	132.6	-60	167.4	0	0	0	119.4
1901	R	34.9	Very low	33	Very low	198 Å²	198	144.3 Å²	144.3	75%	0.747	75%	0.753	S	S	*	*				-168.2	132.8	93.3	-144.6	121.1	-162.8	170.4	11.3	109.9
1902	E	32.9	Very low	33.6	Very low	132 Å²	132	143.8 Å²	143.8	62%	0.617	76%	0.755	S	S	*	*				38.9	138.4	104.2	-50.7	151.1	-146.2	0	0	114.3
1903	D	36	Very low	34.4	Very low	119 Å²	119	141.3 Å²	141.3	64%	0.636	75%	0.747	S	S	*	*			cis	-154.7	170.4	20.1	-155.9	-17.5	0	0	0	112.5
1904	H	38.2	Very low	35.1	Very low	167 Å²	167	139.8 Å²	139.8	77%	0.773	74%	0.744	S	S	*	*			trans	69.7	127.9	169.3	-46.1	-17.8	0	0	0	116
1905	G	38.1	Very low	35.5	Very low	64 Å²	64	138.1 Å²	138.1	66%	0.66	74%	0.742	S	S	*	*			cis	173	82.8	-0.8	0	0	0	0	0	107.2
1906	I	28.5	Very low	35.9	Very low	154 Å²	154	136.7 Å²	136.7	79%	0.79	74%	0.74	S	S	*	*				90.9	136.2	86.7	-80.6	173.4	0	0	0	110.8
1907	P	45.7	Very low	36.2	Very low	99 Å²	99	136.3 Å²	136.3	64%	0.643	73%	0.732	S	S	*	*			trans	-113.3	-143.9	-172.2	34.2	-12.4	0	0	0	109.9
1908	N	28.5	Very low	36.5	Very low	135 Å²	135	139.4 Å²	139.4	72%	0.722	73%	0.73	S	S	*	*			trans	75.1	141.1	169.3	-52.9	-16.4	0	0	0	116
1909	D	38.7	Very low	37	Very low	160 Å²	160	138.2 Å²	138.2	86%	0.856	73%	0.729	S	S	*	*				-164.1	96.6	115.5	-104.3	-19.6	0	0	0	111.1
1910	N	35	Very low	37.4	Very low	154 Å²	154	135.9 Å²	135.9	82%	0.824	72%	0.724	S	S	*	*	S	Bend	trans	176.3	118	148.6	-97.7	-34.4	0	0	0	109.2
1911	V	41.5	Very low	37.7	Very low	129 Å²	129	137.6 Å²	137.6	78%	0.782	73%	0.73	S	S	*	*			trans	71.8	136.9	166	-175	0	0	0	0	117.4
1912	N	42.7	Very low	37.6	Very low	114 Å²	114	132.9 Å²	132.9	61%	0.61	73%	0.727	S	S	*	*			cis	-166.1	156.4	-34.5	-95.4	122	0	0	0	108.6
1913	D	44	Very low	37.4	Very low	123 Å²	123	130.8 Å²	130.8	66%	0.658	73%	0.727	S	S	*	*				24	152.8	121.5	-28.5	-8.4	0	0	0	119.1
1914	D	42.1	Very low	37.3	Very low	153 Å²	153	131.3 Å²	131.3	82%	0.818	73%	0.734	S	S	*	*			cis	-166.3	-166.5	-13.5	-104.3	-9.5	0	0	0	109
1915	D	38.4	Very low	36.9	Very low	153 Å²	153	130.9 Å²	130.9	82%	0.818	73%	0.732	S	S	*	*			trans	-73.7	171.8	-166.6	-73.6	-62.6	0	0	0	119.8
1916	D	38.6	Very low	36.3	Very low	144 Å²	144	133.1 Å²	133.1	77%	0.77	73%	0.733	S	S	*	*			trans	100.1	169	141.7	-115.1	-42.8	0	0	0	122.2
1917	N	35.8	Very low	36.4	Very low	130 Å²	130	133.5 Å²	133.5	70%	0.695	73%	0.733	S	S	*	*			trans	-88.3	164.8	-159.2	-67.9	-94.8	0	0	0	116.2
1918	D	36.4	Very low	35.5	Very low	149 Å²	149	132.8 Å²	132.8	80%	0.797	73%	0.731	S	S	*	*			trans	62.5	129.8	160.4	-56	-16.5	0	0	0	118.1
1919	D	40	Very low	35.7	Very low	143 Å²	143	132.5 Å²	132.5	77%	0.765	73%	0.734	S	S	*	*			cis	-159.6	160.3	0.7	-148.2	-14.1	0	0	0	113
1920	D	40	Very low	35.3	Very low	117 Å²	117	132 Å²	132	63%	0.626	73%	0.732	S	S	*	*			trans	66	134	149.1	-132	0.9	0	0	0	125
1921	Q	35.7	Very low	35.7	Very low	153 Å²	153	129.7 Å²	129.7	72%	0.715	73%	0.725	S	S	*	*			trans	61.3	149.5	161.4	-49.4	-63.8	-52.5	0	0	121.1
1922	S	32	Very low	35.3	Very low	98 Å²	98	130.8 Å²	130.8	69%	0.685	72%	0.723	S	S	*	*			cis	-168.5	177.5	-27.6	68.4	0	0	0	0	111.4
1923	S	29.1	Very low	34.8	Very low	88 Å²	88	132.3 Å²	132.3	62%	0.615	73%	0.731	S	S	*	*			trans	-14.6	141.5	164	-158.9	0	0	0	0	118.6
1924	V	35.2	Very low	34.2	Very low	130 Å²	130	129.9 Å²	129.9	79%	0.788	74%	0.735	S	S	*	*				178.4	153.6	88.5	148.3	0	0	0	0	110.1
1925	Q	28.8	Very low	33.7	Very low	158 Å²	158	130.2 Å²	130.2	74%	0.738	74%	0.736	S	S	*	*			cis	-168.7	138.4	-34.7	-167.3	151.1	0.9	0	0	108.5
1926	T	26.6	Very low	33.4	Very low	111 Å²	111	127 Å²	127	68%	0.681	73%	0.726	S	S	*	*			trans	-85.6	176	166.8	48.7	0	0	0	0	111.6
1927	M	30.7	Very low	33	Very low	162 Å²	162	130.4 Å²	130.4	80%	0.798	73%	0.73	S	S	*	*			trans	77.2	155.4	174.2	-46.1	-77.1	81.5	0	0	114.2
1928	S	26.6	Very low	32.8	Very low	84 Å²	84	131.4 Å²	131.4	59%	0.587	74%	0.735	S	S	*	*			cis	-168.1	165.9	-22.1	-98.3	0	0	0	0	109.4
1929	T	31.4	Very low	32.6	Very low	130 Å²	130	131.2 Å²	131.2	80%	0.798	73%	0.733	S	S	*	*			trans	45.1	126.7	150.6	54.2	0	0	0	0	121.8
1930	D	30.9	Very low	32.3	Very low	149 Å²	149	130.4 Å²	130.4	80%	0.797	73%	0.734	S	S	*	*				15.4	157.4	123.8	-98.6	-28.7	0	0	0	121.7
1931	P	43.1	Very low	31.9	Very low	105 Å²	105	132.6 Å²	132.6	68%	0.682	74%	0.742	S	S	*	*			cis	-143.5	169.1	-3.2	40.7	-21.6	0	0	0	117.8
1932	M	34.3	Very low	31.4	Very low	152 Å²	152	130.3 Å²	130.3	75%	0.749	74%	0.743	S	S	*	*			trans	52.5	151	137.5	-70.2	-67.6	-74.2	0	0	126.4
1933	D	30.2	Very low	31.3	Very low	146 Å²	146	130.4 Å²	130.4	78%	0.781	74%	0.744	S	S	*	*			trans	73.6	129.1	155.6	-71.1	-43.2	0	0	0	122.3
1934	G	32.2	Very low	31.1	Very low	72 Å²	72	133.3 Å²	133.3	74%	0.742	75%	0.748	S	S	*	*			trans	179.4	25.5	-176	0	0	0	0	0	120.7
1935	L	32.5	Very low	30.7	Very low	160 Å²	160	134 Å²	134	84%	0.838	74%	0.74	S	S	*	*			trans	22.9	104.3	159.5	-64.4	175.1	0	0	0	122.3
1936	S	30.8	Very low	30.6	Very low	87 Å²	87	131.6 Å²	131.6	61%	0.608	74%	0.736	S	S	*	*				58.1	137.5	119.6	73.9	0	0	0	0	124.8
1937	Y	30.6	Very low	30.6	Very low	215 Å²	215	133.7 Å²	133.7	84%	0.843	74%	0.738	S	S	*	*			trans	67.9	143.4	166.5	-62.6	-76.5	0	0	0	115.8
1938	D	32.7	Very low	30.4	Very low	150 Å²	150	132.1 Å²	132.1	80%	0.802	73%	0.732	S	S	*	*			cis	-143.1	175.7	33.6	-145.8	-17.3	0	0	0	114.8
1939	L	30.9	Very low	30.6	Very low	146 Å²	146	135.4 Å²	135.4	76%	0.764	74%	0.738	S	S	*	*			trans	-93.1	144.8	171.4	-77.4	161.1	0	0	0	111.2
1940	T	33.2	Very low	30.9	Very low	126 Å²	126	137.2 Å²	137.2	77%	0.773	74%	0.742	S	S	*	*				177.3	161.7	129.4	25.7	0	0	0	0	114.1
1941	M	32.9	Very low	30.7	Very low	162 Å²	162	133.4 Å²	133.4	80%	0.798	73%	0.727	S	S	*	*			trans	60.6	110.9	163.2	-62.9	-49.3	102.3	0	0	119.8
1942	S	25.3	Very low	30.1	Very low	105 Å²	105	133.4 Å²	133.4	73%	0.734	73%	0.73	S	S	*	*			trans	-61.6	-177.2	150.6	-44.7	0	0	0	0	112.2
1943	S	29.4	Very low	29.9	Very low	100 Å²	100	130.7 Å²	130.7	70%	0.699	73%	0.725	S	S	*	*			trans	91.4	100.9	162	-25	0	0	0	0	115.8
1944	E	25.3	Very low	29.8	Very low	150 Å²	150	130.3 Å²	130.3	70%	0.701	72%	0.717	S	S	*	*				52.3	149.5	105.5	-69.7	-161.1	109.3	0	0	122.6
1945	K	27	Very low	29.5	Very low	144 Å²	144	133.3 Å²	133.3	63%	0.626	71%	0.712	S	S	*	*			trans	93.4	131.7	131.5	-94.2	173	179.2	80	0	119.8
1946	T	25.2	Very low	29.3	Very low	107 Å²	107	131.8 Å²	131.8	66%	0.656	70%	0.704	S	S	*	*			trans	77.3	152.5	141.8	54.7	0	0	0	0	117.4
1947	H	27.2	Very low	29.4	Very low	155 Å²	155	136.3 Å²	136.3	72%	0.718	72%	0.716	S	S	*	*			cis	-133.2	132.6	23.2	-101.7	-103.7	0	0	0	116.5
1948	L	26	Very low	29.6	Very low	129 Å²	129	132.8 Å²	132.8	68%	0.675	71%	0.712	S	S	*	*			trans	57.7	162.7	132.5	-59.6	-177.1	0	0	0	124.5
1949	H	31.8	Very low	30	Very low	154 Å²	154	131.3 Å²	131.3	71%	0.713	71%	0.708	S	S	*	*			trans	70.5	132.2	175.3	-64.8	-79.6	0	0	0	116	S1951	H1949-S1951 PolarHBondContact ND1-OG 2.79Å
1950	L	36.9	Very low	29.9	Very low	167 Å²	167	132.9 Å²	132.9	87%	0.874	71%	0.711	S	S	*	*			cis	-67.3	168.6	-0.3	-59.2	-175.8	0	0	0	114.1
1951	S	27.5	Very low	29.6	Very low	70 Å²	70	132.5 Å²	132.5	49%	0.49	71%	0.712	S	S	.	*			cis	54.1	120.4	-16	70.5	0	0	0	0	120.2	H1949	H1949-S1951 PolarHBondContact ND1-OG 2.79Å
1952	S	29.6	Very low	29.3	Very low	105 Å²	105	128.3 Å²	128.3	73%	0.734	70%	0.698	S	S	*	*			cis	-164.5	177.5	2.6	-156.4	0	0	0	0	107.5
1953	S	30.4	Very low	29.8	Very low	95 Å²	95	130.7 Å²	130.7	66%	0.664	70%	0.701	S	S	*	*			cis	-144.4	178	10	-71.7	0	0	0	0	108.5
1954	K	28.2	Very low	30	Very low	137 Å²	137	132.4 Å²	132.4	60%	0.596	70%	0.702	S	S	*	*			cis	80.6	151.3	18.3	-144.6	-162.4	162	-59.2	0	115.1	D1956	K1954-D1956 IonicContact NZ-OD2 3.72Å
1955	E	26.8	Very low	30.3	Very low	136 Å²	136	129.1 Å²	129.1	64%	0.636	69%	0.69	S	S	*	*			trans	74.6	132	-178.5	-86.9	68.3	-164	0	0	114.3
1956	D	28.7	Very low	30.5	Very low	128 Å²	128	128.9 Å²	128.9	68%	0.684	70%	0.695	S	S	*	*				-155.2	-147	-80.7	-72.6	-32.6	0	0	0	106.9	K1954	K1954-D1956 IonicContact NZ-OD2 3.72Å
1957	E	32	Very low	30.8	Very low	181 Å²	181	130.6 Å²	130.6	85%	0.846	70%	0.695	S	S	*	*			trans	84.9	161	172.4	-59.6	-64.4	170.7	0	0	122.8
1958	D	35.2	Very low	31.2	Very low	142 Å²	142	131.3 Å²	131.3	76%	0.759	70%	0.699	S	S	*	*			trans	69.9	111.2	163.7	-74.6	-33.9	0	0	0	124.6
1959	V	40	Very low	31.4	Very low	119 Å²	119	136.5 Å²	136.5	72%	0.721	71%	0.709	S	S	*	*				55.8	113.9	119.7	-180	0	0	0	0	122.2
1960	E	29	Very low	31.7	Very low	179 Å²	179	137.8 Å²	137.8	84%	0.836	72%	0.715	S	S	*	*			trans	59.9	82	138.3	-160.7	166.1	-145	0	0	121.5
1961	C	27.9	Very low	31.1	Very low	117 Å²	117	138.5 Å²	138.5	79%	0.791	71%	0.714	S	S	*	*			trans	-175.1	120.3	135.2	-179.7	0	0	0	0	109.2
1962	C	26.2	Very low	31.2	Very low	75 Å²	75	140.5 Å²	140.5	51%	0.507	72%	0.723	S	S	.	*			cis	59	80.6	0.9	-66.4	0	0	0	0	116.8	N1965	C1962-N1965 PolarHBondContact SG-OD1 2.86Å
1963	I	36.3	Very low	31.1	Very low	155 Å²	155	143 Å²	143	80%	0.795	72%	0.724	S	S	*	*	S	Bend		-169.2	98.7	107.6	-85.5	150.1	0	0	0	104.6
1964	D	33.5	Very low	31	Very low	135 Å²	135	145.3 Å²	145.3	72%	0.722	72%	0.724	S	S	*	*	S	Bend	cis	-137.3	-167.4	8.4	-110.5	-65.5	0	0	0	113.2
1965	N	30.9	Very low	31	Very low	82 Å²	82	146.4 Å²	146.4	44%	0.439	73%	0.731	S	S	.	*			trans	-114	-169.4	-149.2	-61.1	-74.5	0	0	0	112.7	C1962	C1962-N1965 PolarHBondContact SG-OD1 2.86Å
1966	D	32.3	Very low	31.1	Very low	139 Å²	139	142.7 Å²	142.7	74%	0.743	72%	0.723	S	S	*	*			cis	-158.2	-177.1	19	-159.1	21.6	0	0	0	116.6
1967	H	31.7	Very low	31.3	Very low	142 Å²	142	142 Å²	142	66%	0.657	72%	0.72	S	S	*	*			trans	-94.8	179.2	-162.6	-73.2	83.3	0	0	0	115.6
1968	H	34	Very low	31.2	Very low	170 Å²	170	138.4 Å²	138.4	79%	0.787	71%	0.706	S	S	*	*			cis	-173.9	172	-42.8	-147.1	39.2	0	0	0	109.5
1969	R	29.9	Very low	30.9	Very low	238 Å²	238	136.4 Å²	136.4	90%	0.898	70%	0.695	S	S	*	*			trans	70.4	162.5	155	-146.2	179	-172.5	-174.6	5.8	120.1
1970	H	38.4	Very low	30.6	Very low	182 Å²	182	134.2 Å²	134.2	84%	0.843	68%	0.683	S	S	*	*			trans	-129.1	152.9	175.9	-128.8	-35.4	0	0	0	110.4
1971	Q	25.4	Very low	30.5	Very low	181 Å²	181	133.4 Å²	133.4	85%	0.846	68%	0.679	S	S	*	*			trans	84.4	141.6	169	-153.6	179.6	101.8	0	0	118.3
1972	T	29.3	Very low	30.5	Very low	112 Å²	112	132.2 Å²	132.2	69%	0.687	67%	0.668	S	S	*	*			trans	95	89.8	164	-45	0	0	0	0	119.7
1973	Q	28	Very low	30.8	Very low	159 Å²	159	133.9 Å²	133.9	74%	0.743	67%	0.67	S	S	*	*			trans	54.2	118.8	135.2	-61.6	-162.8	25.6	0	0	124
1974	Q	27.9	Very low	30.4	Very low	143 Å²	143	129.9 Å²	129.9	67%	0.668	66%	0.656	S	S	*	*				93	136.6	129	-76.1	-174.1	43.3	0	0	122.6
1975	H	28.1	Very low	30.3	Very low	159 Å²	159	126.7 Å²	126.7	74%	0.736	64%	0.641	S	S	*	*			trans	53.2	134.1	163.6	-68.3	-72.4	0	0	0	119.4
1976	A	28.8	Very low	30.4	Very low	58 Å²	58	128 Å²	128	48%	0.479	65%	0.648	S	S	.	*			cis	-162.1	-174.6	0.9	0	0	0	0	0	112.5
1977	N	32	Very low	30.3	Very low	115 Å²	115	123.6 Å²	123.6	62%	0.615	63%	0.628	S	S	*	*			trans	68.8	128.3	155.3	-57.5	-10.5	0	0	0	123.1	N824	N824-N1977 PolarHBondContact ND2-O 2.65Å
1978	N	29.8	Very low	30.4	Very low	105 Å²	105	121 Å²	121	56%	0.561	62%	0.619	S	S	*	*				52.6	139.2	128.6	-52.8	-2.8	0	0	0	120.8	N824	N824-N1978 WeakPolarHBondContact CB-O 3.34Å; N824-N1978 PolarHBondContact ND2-O 2.68Å
1979	I	28.7	Very low	30.3	Very low	100 Å²	100	116.4 Å²	116.4	51%	0.513	60%	0.6	S	S	.	*			cis	95.2	126.4	26.8	-67	169.7	0	0	0	108.5	K823 N824 V825	K823-I1979 WeakPolarHBondContact O-CA 3.18Å; N824-I1979 HydrophobicContact CB-CG1 3.98Å; N824-I1979 VanDerWaalsContact CB-N 3.31Å; N824-I1979 VanDerWaalsContact O-CG1 3.23Å; N824-I1979 WeakPolarHBondContact O-CG1 3.25Å; V825-I1979 WeakPolarHBondContact O-CD1 3.32Å
1980	P	33.6	Very low	30.3	Very low	72 Å²	72	110.5 Å²	110.5	47%	0.468	58%	0.583	S	S	.	*			cis	-137.1	-158.7	12.7	30.4	-4.6	0	0	0	115.3
1981	E	27.9	Very low	30	Very low	162 Å²	162	106.9 Å²	106.9	76%	0.757	57%	0.57	S	S	*	*			trans	67.8	161.4	134.1	-86.3	146.8	-124.1	0	0	122
1982	T	28.3	Very low	30.3	Very low	93 Å²	93	105.5 Å²	105.5	57%	0.571	56%	0.563	S	S	*	*			cis	-170.9	-176.4	-33.7	27.6	0	0	0	0	109.3
1983	M	31.4	Very low	30.5	Very low	109 Å²	109	105.6 Å²	105.6	54%	0.537	56%	0.555	S	S	.	*			trans	89.9	-172.2	152.3	-64.5	-62.6	101.5	0	0	116.2	L794 D795	L794-M1983 VanDerWaalsContact CB-O 3.3Å; L794-M1983 WeakPolarHBondContact CB-O 3.41Å; L794-M1983 WeakPolarHBondContact CD1-O 3.48Å; L794-M1983 WeakPolarHBondContact CD2-O 3.29Å; L794-M1983 WeakPolarHBondContact CG-O 3.12Å; D795-M1983 WeakPolarHBondContact CB-O 3.31Å; D795-M1983 PolarHBondContact N-O 3.4Å; D795-M1983 WeakPolarHBondContact OD2-CA 3.35Å; D795-M1983 PolarHBondContact OD2-N 3.24Å
1984	S	29.1	Very low	30.7	Very low	71 Å²	71	103.8 Å²	103.8	50%	0.497	56%	0.56	S	S	.	*	B	Isolated β-bridge		-128	162	-120.4	56.3	0	0	0	0	112.2
1985	T	31.7	Very low	31.2	Very low	69 Å²	69	101.7 Å²	101.7	42%	0.423	56%	0.557	S	S	.	*			cis	-163.5	179.8	15.5	-9.5	0	0	0	0	112.5	L794 D795	L794-T1985 PolarHBondContact N-O 2.84Å; L794-T1985 VanDerWaalsContact N-O 3.17Å; L794-T1985 CarbonylContact O-C 3.35Å; L794-T1985 WeakPolarHBondContact O-CA 3.36Å; D795-T1985 WeakPolarHBondContact O-CA 3.27Å; D795-T1985 VanDerWaalsContact O-CG2 3.28Å; D795-T1985 WeakPolarHBondContact O-CG2 2.62Å
1986	L	32.8	Very low	31.6	Very low	109 Å²	109	98.4 Å²	98.4	57%	0.571	54%	0.544	S	S	*	.			trans	74.1	112.6	137.6	-79.9	165.2	0	0	0	122.7	L794	L794-L1986 PolarHBondContact O-N 3.23Å
1987	S	29.8	Very low	31.8	Very low	47 Å²	47	102.2 Å²	102.2	33%	0.329	56%	0.557	S	S	.	*				61.5	140.4	123.8	58.3	0	0	0	0	121.4	S811	S811-S1987 CarbonylContact C-O 3.57Å; S811-S1987 CarbonylContact O-C 3.48Å; S811-S1987 WeakPolarHBondContact O-CA 3.03Å; S811-S1987 WeakPolarHBondContact O-CB 3.44Å; S811-S1987 PolarHBondContact O-OG 3.06Å
1988	N	33.8	Very low	31.9	Very low	87 Å²	87	103.1 Å²	103.1	47%	0.465	56%	0.56	S	S	.	*				88.9	126.6	90.3	-75.1	10.1	0	0	0	116.2	E809 V810 S811 E812	E809-N1988 PolarHBondContact O-ND2 3.47Å; V810-N1988 WeakPolarHBondContact O-CB 3.34Å; V810-N1988 PolarHBondContact O-ND2 2.96Å; S811-N1988 CarbonylContact C-O 3.21Å; S811-N1988 VanDerWaalsContact N-CB 3.34Å; S811-N1988 PolarHBondContact N-O 2.78Å; E812-N1988 PolarHBondContact N-O 2.71Å; E812-N1988 VanDerWaalsContact N-O 3.11Å
1989	D	32.2	Very low	32.2	Very low	74 Å²	74	104.1 Å²	104.1	40%	0.396	57%	0.57	S	S	.	*				35.2	138.3	121.2	-56	2.3	0	0	0	119.6	I808 E809 V810 S811	I808-D1989 HydrophobicContact CG2-CB 4.37Å; E809-D1989 PolarHBondContact N-OD2 3.15Å; V810-D1989 VanDerWaalsContact CA-O 3.28Å; V810-D1989 WeakPolarHBondContact CA-O 3.19Å; V810-D1989 VanDerWaalsContact N-CB 3.28Å; S811-D1989 PolarHBondContact N-O 2.79Å; S811-D1989 VanDerWaalsContact N-O 3.15Å
1990	E	29.6	Very low	32.4	Very low	114 Å²	114	105 Å²	105	53%	0.533	58%	0.576	S	S	.	*			cis	-154.2	-152.4	-3.7	-134.7	-163.4	-159.7	0	0	112.6	I808	I808-E1990 WeakPolarHBondContact CD1-OE1 3.46Å; I808-E1990 HydrophobicContact CG2-CG 4.33Å
1991	N	31.6	Very low	32.5	Very low	106 Å²	106	106.9 Å²	106.9	57%	0.567	58%	0.582	S	S	*	*			trans	-37.9	149	162.7	-55.4	-76.3	0	0	0	111.9
1992	H	31.1	Very low	32.7	Very low	152 Å²	152	105.8 Å²	105.8	70%	0.704	58%	0.581	S	S	*	*				-152.6	-145.6	55.4	-76.9	-83.9	0	0	0	109.7
1993	H	34.3	Very low	33	Very low	114 Å²	114	108.7 Å²	108.7	53%	0.528	59%	0.588	S	S	.	*			cis	-159.2	153.8	11.6	-119.4	-42	0	0	0	111.6	V1995 D1996	H1993-V1995 HydrophobicContact CB-CG2 4.28Å; H1993-V1995 VanDerWaalsContact CG-N 3.29Å; H1993-V1995 PolarHBondContact ND1-N 2.79Å; H1993-D1996 IonicContact CD2-OD1 3.21Å; H1993-D1996 PolarHBondContact CD2-OD1 3.2Å; H1993-D1996 IonicContact CD2-OD2 3.15Å; H1993-D1996 IonicContact CG-OD1 3.54Å; H1993-D1996 IonicContact CG-OD2 3.85Å; H1993-D1996 IonicContact NE2-OD1 2.76Å
1994	S	32.6	Very low	33.1	Very low	120 Å²	120	110.4 Å²	110.4	84%	0.839	60%	0.595	S	S	*	*	S	Bend		-107.6	84.6	126.7	-167.2	0	0	0	0	103.1
1995	V	38.9	Very low	33.5	Very low	100 Å²	100	113.3 Å²	113.3	61%	0.606	60%	0.604	S	S	*	*				80.4	81.8	87.4	170.2	0	0	0	0	107.8	H1993	H1993-V1995 HydrophobicContact CB-CG2 4.28Å; H1993-V1995 VanDerWaalsContact CG-N 3.29Å; H1993-V1995 PolarHBondContact ND1-N 2.79Å
1996	D	34.6	Very low	33.5	Very low	89 Å²	89	116 Å²	116	48%	0.476	62%	0.616	S	S	.	*				93.6	168.7	71.4	-71.4	-38.7	0	0	0	111.1	H1993	H1993-D1996 IonicContact CD2-OD1 3.21Å; H1993-D1996 PolarHBondContact CD2-OD1 3.2Å; H1993-D1996 IonicContact CD2-OD2 3.15Å; H1993-D1996 IonicContact CG-OD1 3.54Å; H1993-D1996 IonicContact CG-OD2 3.85Å; H1993-D1996 IonicContact NE2-OD1 2.76Å
1997	D	34	Very low	33.3	Very low	139 Å²	139	116.2 Å²	116.2	74%	0.743	62%	0.621	S	S	*	*			trans	65.8	98.5	173.6	-55.2	-32.4	0	0	0	117.1
1998	I	33.2	Very low	33	Very low	133 Å²	133	119.5 Å²	119.5	68%	0.682	64%	0.64	S	S	*	*			cis	85.2	145.5	26.1	-44.6	158.8	0	0	0	113.9
1999	V	37.1	Very low	32.6	Very low	126 Å²	126	121.3 Å²	121.3	76%	0.764	65%	0.654	S	S	*	*			trans	63.9	152.6	173.3	-81	0	0	0	0	118.3
2000	N	32.8	Very low	32.6	Very low	120 Å²	120	123.8 Å²	123.8	64%	0.642	67%	0.671	S	S	*	*			cis	-150.3	174	9.6	-143.9	16.4	0	0	0	115.7
2001	D	35	Very low	32.7	Very low	110 Å²	110	124.7 Å²	124.7	59%	0.588	68%	0.68	S	S	*	*			trans	73.9	119	145.9	-70.3	-44.1	0	0	0	123.1
2002	N	33	Very low	32.5	Very low	139 Å²	139	126.9 Å²	126.9	74%	0.743	68%	0.684	S	S	*	*			trans	55.9	131	130.2	-46.9	-33.2	0	0	0	121.1
2003	E	33.7	Very low	32.5	Very low	155 Å²	155	124.6 Å²	124.6	72%	0.724	68%	0.683	S	S	*	*			cis	-144.9	-141.3	-14.5	-144.2	-156.6	-70.1	0	0	108.7
2004	E	35.1	Very low	32.2	Very low	145 Å²	145	125.7 Å²	125.7	68%	0.678	69%	0.688	S	S	*	*			cis	-152.3	168.2	9.3	-149.2	-160	147.9	0	0	110.4
2005	L	36.9	Very low	32.2	Very low	131 Å²	131	125.3 Å²	125.3	69%	0.686	68%	0.681	S	S	*	*			trans	38.4	79.4	159.7	-69.7	172.8	0	0	0	117.5
2006	N	31.4	Very low	31.8	Very low	127 Å²	127	129 Å²	129	68%	0.679	69%	0.692	S	S	*	*				63.2	119.6	78.2	-78.5	-45.7	0	0	0	119.1
2007	V	29.1	Very low	31.6	Very low	112 Å²	112	132.5 Å²	132.5	68%	0.679	71%	0.709	S	S	*	*				83.7	137.4	126.3	174.6	0	0	0	0	120
2008	T	23.9	Very low	31.6	Very low	116 Å²	116	131.6 Å²	131.6	71%	0.712	71%	0.711	S	S	*	*			trans	69.8	119.5	161.1	46.8	0	0	0	0	122
2009	V	25.6	Very low	31.4	Very low	125 Å²	125	130.8 Å²	130.8	76%	0.758	71%	0.712	S	S	*	*				82.3	147.5	121.2	170.5	0	0	0	0	119.8
2010	V	31.2	Very low	31.2	Very low	126 Å²	126	131.5 Å²	131.5	76%	0.764	71%	0.71	S	S	*	*			trans	64.5	111.4	168.6	157.9	0	0	0	0	113.7
2011	N	31.1	Very low	31.1	Very low	133 Å²	133	132.3 Å²	132.3	71%	0.711	72%	0.715	S	S	*	*			cis	-151	166.3	17.9	-133.9	5	0	0	0	108.6
2012	K	28	Very low	30.9	Very low	152 Å²	152	135 Å²	135	66%	0.661	72%	0.723	S	S	*	*			cis	68	154.8	19.3	-87.8	-157.4	174.9	-155.8	0	116.1	H2014	K2012-H2014 PolarHBondContact NZ-NE2 2.76Å
2013	P	30.2	Very low	30.8	Very low	104 Å²	104	137 Å²	137	68%	0.675	73%	0.729	S	S	*	*			cis	-116.4	147	7.8	44.9	-33.3	0	0	0	114.2
2014	H	28.1	Very low	30.6	Very low	137 Å²	137	138.6 Å²	138.6	63%	0.634	74%	0.736	S	S	*	*				86.3	140.1	102.9	-86.1	-107.4	0	0	0	119.7	K2012	K2012-H2014 PolarHBondContact NZ-NE2 2.76Å
2015	T	33.1	Very low	30.4	Very low	113 Å²	113	140.4 Å²	140.4	69%	0.693	74%	0.744	S	S	*	*			trans	69.9	130.9	147.5	-64.4	0	0	0	0	117.7
2016	E	30.6	Very low	30	Very low	178 Å²	178	143.1 Å²	143.1	83%	0.832	75%	0.754	S	S	*	*			cis	-156.3	178.5	-5.7	-124.3	169.7	-127.1	0	0	112
2017	L	31.4	Very low	30	Very low	162 Å²	162	143.4 Å²	143.4	85%	0.848	76%	0.76	S	S	*	*			trans	-65.9	147.2	170.6	-75.1	165.3	0	0	0	111.2
2018	P	32.7	Very low	30	Very low	119 Å²	119	145.5 Å²	145.5	77%	0.773	76%	0.763	S	S	*	*				-155.2	-152.5	64.8	45	-23.3	0	0	0	116.2
2019	T	29	Very low	30.4	Very low	116 Å²	116	146.3 Å²	146.3	71%	0.712	76%	0.758	S	S	*	*			trans	-59.7	157.6	-179	55	0	0	0	0	117.3
2020	I	32.9	Very low	30.7	Very low	142 Å²	142	147.3 Å²	147.3	73%	0.728	76%	0.755	S	S	*	*			trans	98	146.7	162.9	-61	166.1	0	0	0	114
2021	D	31.4	Very low	30.8	Very low	136 Å²	136	149 Å²	149	73%	0.727	75%	0.754	S	S	*	*			trans	-10.4	151.5	163.8	-29.5	-30.1	0	0	0	117.2
2022	E	31.5	Very low	30.9	Very low	166 Å²	166	149.3 Å²	149.3	78%	0.776	75%	0.751	S	S	*	*			cis	-166	-173.8	11.2	-139	161.1	-161.9	0	0	110
2023	E	29.2	Very low	31	Very low	183 Å²	183	148.1 Å²	148.1	86%	0.855	75%	0.752	S	S	*	*			trans	68.7	157.3	156.5	-68.3	173.2	159.8	0	0	122.6
2024	E	29.7	Very low	31.1	Very low	188 Å²	188	149.8 Å²	149.8	88%	0.879	76%	0.756	S	S	*	*			trans	-98.8	147.6	159.4	-63.3	167.7	139.8	0	0	105.8
2025	E	31.4	Very low	31.3	Very low	182 Å²	182	148 Å²	148	85%	0.85	75%	0.751	S	S	*	*			cis	-167	143.5	42.6	-138.8	171.4	-174.5	0	0	110.1
2026	E	28.4	Very low	31.3	Very low	189 Å²	189	150.6 Å²	150.6	88%	0.883	75%	0.752	S	S	*	*			trans	59.8	-179.5	166.9	-55	-162	144.1	0	0	121.2
2027	T	31.9	Very low	31.4	Very low	133 Å²	133	147.7 Å²	147.7	82%	0.816	75%	0.747	S	S	*	*			trans	-140.9	159.6	-143.7	53.3	0	0	0	0	120.1
2028	E	29.2	Very low	31.5	Very low	156 Å²	156	145.6 Å²	145.6	73%	0.729	74%	0.74	S	S	*	*			trans	80	153.7	153.7	-82.4	-78.7	70.3	0	0	120.2
2029	Q	31.3	Very low	31.2	Very low	133 Å²	133	146.9 Å²	146.9	62%	0.621	74%	0.736	S	S	*	*			cis	-158.2	168	-2.4	-166.5	-178.6	98.3	0	0	112.4
2030	Q	31.9	Very low	31.4	Very low	146 Å²	146	147.2 Å²	147.2	68%	0.682	73%	0.733	S	S	*	*			trans	111	124.3	133.2	-145.1	167.5	87.7	0	0	122.6
2031	Q	34.1	Very low	31.1	Very low	162 Å²	162	147.1 Å²	147.1	76%	0.757	73%	0.729	S	S	*	*			trans	64.3	154.9	160.6	-77	177.9	-40.5	0	0	122.9
2032	Q	32.9	Very low	31	Very low	138 Å²	138	148.5 Å²	148.5	65%	0.645	73%	0.731	S	S	*	*			cis	-176.9	140.8	-32.4	177.3	166.5	7.5	0	0	111.2
2033	D	30	Very low	31.1	Very low	128 Å²	128	143.8 Å²	143.8	68%	0.684	73%	0.728	S	S	*	*			trans	34.8	162.6	158.9	-45.5	-28.5	0	0	0	121.4
2034	D	32	Very low	31.4	Very low	139 Å²	139	140.6 Å²	140.6	74%	0.743	73%	0.725	S	S	*	*			cis	-163.6	166	19.2	-150.3	-16.2	0	0	0	113.2
2035	D	32.7	Very low	31.7	Very low	100 Å²	100	138.3 Å²	138.3	54%	0.535	72%	0.718	S	S	.	*			trans	63.1	127.9	143.6	-110.3	4.3	0	0	0	129.1
2036	K	34.2	Very low	31.8	Very low	166 Å²	166	133.3 Å²	133.3	72%	0.722	70%	0.703	S	S	*	*				62.7	154.6	128.9	-84	-179.9	-161.7	83.7	0	122.8
2037	V	31.7	Very low	32.3	Very low	118 Å²	118	132.7 Å²	132.7	72%	0.715	70%	0.697	S	S	*	*			cis	-165.2	167.3	-12.8	76.9	0	0	0	0	111.4
2038	V	32.9	Very low	32.5	Very low	117 Å²	117	133.8 Å²	133.8	71%	0.709	70%	0.697	S	S	*	*			trans	66.8	148.5	160.6	151.1	0	0	0	0	118.1
2039	E	27.6	Very low	32.6	Very low	146 Å²	146	131 Å²	131	68%	0.682	69%	0.694	S	S	*	*			cis	-174.3	175.1	-35.8	-117.4	-171.1	147.3	0	0	107.7
2040	L	31.8	Very low	32.8	Very low	123 Å²	123	128.5 Å²	128.5	64%	0.644	69%	0.692	S	S	*	*			trans	22.4	147.7	139.8	-50.1	-178.7	0	0	0	121.3
2041	E	28.1	Very low	32.8	Very low	140 Å²	140	132.8 Å²	132.8	65%	0.654	70%	0.701	S	S	*	*			cis	-159.7	174.3	2	-124.4	-179	178.3	0	0	116.9
2042	Q	29.6	Very low	32.6	Very low	165 Å²	165	130.2 Å²	130.2	77%	0.771	70%	0.701	S	S	*	*			trans	-17.7	157.4	154.9	-62.1	170.6	65.1	0	0	118.7
2043	G	33.1	Very low	32.5	Very low	68 Å²	68	134.3 Å²	134.3	70%	0.701	71%	0.711	S	S	*	*			cis	165.8	-157.2	2.8	0	0	0	0	0	113.2
2044	S	35.4	Very low	32.5	Very low	115 Å²	115	134.5 Å²	134.5	80%	0.804	71%	0.711	S	S	*	*			trans	72.6	140.1	174.5	-66.6	0	0	0	0	118
2045	I	35.5	Very low	32.2	Very low	141 Å²	141	138.7 Å²	138.7	72%	0.723	72%	0.716	S	S	*	*			cis	-150.9	124.5	-0.9	-111.9	158	0	0	0	110.9
2046	S	34.4	Very low	32.2	Very low	77 Å²	77	145.3 Å²	145.3	54%	0.538	73%	0.733	S	S	.	*			trans	50.2	139.7	151.5	78.2	0	0	0	0	120.5
2047	K	37.3	Very low	32	Very low	175 Å²	175	142.4 Å²	142.4	76%	0.761	73%	0.734	S	S	*	*			cis	-155.6	172	26	-73.8	96.6	-175.6	157.7	0	107
2048	I	36.2	Very low	32	Very low	157 Å²	157	140.7 Å²	140.7	81%	0.805	73%	0.727	S	S	*	*			cis	-169.6	168.6	-17.5	-101.3	169.1	0	0	0	105.4
2049	S	32.7	Very low	31.9	Very low	96 Å²	96	141.2 Å²	141.2	67%	0.671	73%	0.726	S	S	*	*			cis	168.1	134	-41.9	-162.8	0	0	0	0	106.6
2050	S	34.3	Very low	31.9	Very low	82 Å²	82	141.1 Å²	141.1	57%	0.573	73%	0.73	S	S	*	*			cis	-167.5	143.3	-9.9	-98.5	0	0	0	0	111.5
2051	R	31.6	Very low	32	Very low	235 Å²	235	138.8 Å²	138.8	89%	0.887	72%	0.724	S	S	*	*			trans	68.3	169.4	147.6	-60.8	164.8	179.7	-176.7	-4.2	116.9
2052	S	30.7	Very low	32	Very low	108 Å²	108	140 Å²	140	76%	0.755	74%	0.735	S	S	*	*			cis	-150	156	-6	10.4	0	0	0	0	108.1
2053	R	30.5	Very low	31.9	Very low	225 Å²	225	135.8 Å²	135.8	85%	0.849	72%	0.724	S	S	*	*			cis	79.3	112.8	41.6	-90.4	-165.4	-178	-172.7	4.3	117.1
2054	I	29.9	Very low	31.9	Very low	132 Å²	132	139.1 Å²	139.1	68%	0.677	73%	0.731	S	S	*	*			trans	87.4	139.1	134.4	-67.8	175.2	0	0	0	121
2055	R	27.1	Very low	31.6	Very low	227 Å²	227	140.1 Å²	140.1	86%	0.857	73%	0.727	S	S	*	*			trans	-3.4	150.7	158.8	-54.7	168	176.8	167.3	-5.1	118.9
2056	R	32.1	Very low	31.5	Very low	238 Å²	238	137 Å²	137	90%	0.898	72%	0.722	S	S	*	*				-169.7	176.9	110.7	-104.7	159.4	-175.8	-177.4	-1.3	114.4
2057	S	30.7	Very low	31.6	Very low	106 Å²	106	138 Å²	138	74%	0.741	73%	0.729	S	S	*	*			trans	-62	176.5	172.6	49.4	0	0	0	0	113
2058	S	30.4	Very low	32	Very low	82 Å²	82	137.6 Å²	137.6	57%	0.573	73%	0.73	S	S	*	*	S	Bend	trans	-53	157.3	161.3	36.9	0	0	0	0	112.9
2059	N	30.7	Very low	32.1	Very low	128 Å²	128	138.7 Å²	138.7	68%	0.684	73%	0.729	S	S	*	*			trans	39.7	128.3	135.8	-53.1	-5.3	0	0	0	117.9
2060	N	28.2	Very low	31.7	Very low	144 Å²	144	145.8 Å²	145.8	77%	0.77	74%	0.741	S	S	*	*			cis	-157.6	-176.2	2.5	-156.7	-2.5	0	0	0	110.8
2061	S	32.9	Very low	31.7	Very low	74 Å²	74	145.2 Å²	145.2	52%	0.517	75%	0.748	S	S	.	*			trans	14.1	127.1	147.2	60.1	0	0	0	0	119.7
2062	N	28.4	Very low	31.8	Very low	165 Å²	165	140 Å²	140	88%	0.882	74%	0.738	S	S	*	*				-116.3	122.2	104.2	-86.2	-33.6	0	0	0	106.5
2063	S	27.9	Very low	31.9	Very low	77 Å²	77	143.6 Å²	143.6	54%	0.538	74%	0.74	S	S	.	*			cis	67.2	86.9	44	-156.5	0	0	0	0	112
2064	T	33.6	Very low	31.9	Very low	137 Å²	137	139.6 Å²	139.6	84%	0.84	72%	0.724	S	S	*	*				-107	133.2	103.2	47.8	0	0	0	0	107
2065	D	28.7	Very low	32	Very low	136 Å²	136	139.2 Å²	139.2	73%	0.727	72%	0.722	S	S	*	*			cis	85.2	144.2	41.2	-173.5	43.2	0	0	0	113.5
2066	A	33.1	Very low	32.1	Very low	75 Å²	75	135.8 Å²	135.8	62%	0.62	72%	0.716	S	S	*	*			trans	62.6	-179.2	171.6	0	0	0	0	0	117.3
2067	S	37.8	Very low	32.1	Very low	98 Å²	98	129 Å²	129	69%	0.685	71%	0.705	S	S	*	*			trans	66.1	71.2	164.7	-58.7	0	0	0	0	118.3
2068	H	44.4	Very low	32.3	Very low	167 Å²	167	129.2 Å²	129.2	77%	0.773	70%	0.702	S	S	*	*				65.5	151.1	118.9	-62	-44	0	0	0	122.3
2069	K	39.1	Very low	33	Very low	180 Å²	180	129.8 Å²	129.8	78%	0.783	70%	0.704	S	S	*	*			trans	22.1	120.2	136.2	-58.5	171	-179.7	170	0	116.3
2070	R	24.3	Very low	33.1	Very low	246 Å²	246	131.8 Å²	131.8	93%	0.928	71%	0.708	S	S	*	*				38.2	117.3	93.7	-70.1	-176.4	172.8	-170.4	-0.1	113
2071	G	33.4	Very low	33.2	Very low	69 Å²	69	135.6 Å²	135.6	71%	0.711	71%	0.712	S	S	*	*			cis	174	-146.2	12.7	0	0	0	0	0	111.6
2072	N	33.4	Very low	33.1	Very low	127 Å²	127	135.5 Å²	135.5	68%	0.679	72%	0.716	S	S	*	*			cis	-148.2	137.4	40.7	-88.1	-62.7	0	0	0	113.8
2073	K	33.8	Very low	33.3	Very low	183 Å²	183	134.5 Å²	134.5	80%	0.796	72%	0.716	S	S	*	*			trans	60.6	149.3	140.2	-55.5	165.7	-173	175.2	0	116.2
2074	R	29.8	Very low	33.4	Very low	141 Å²	141	134.6 Å²	134.6	53%	0.532	73%	0.729	S	S	.	*			cis	-145.7	149.6	17.4	-126.3	164.4	168	-178.1	-13.7	105.7	I836 D837 N838	I836-R2074 PolarHBondContact O-NH2 2.95Å; D837-R2074 VanDerWaalsContact C-CZ 3.43Å; D837-R2074 VanDerWaalsContact O-CD 3.26Å; D837-R2074 WeakPolarHBondContact O-CD 3.15Å; D837-R2074 PolarHBondContact O-NE 3.07Å; D837-R2074 PolarHBondContact O-NH2 3.15Å; D837-R2074 VanDerWaalsContact O-NH2 3.13Å; N838-R2074 PolarHBondContact O-NH1 3.24Å
2075	I	32.5	Very low	33.2	Very low	123 Å²	123	133 Å²	133	63%	0.631	72%	0.724	S	S	*	*			cis	69.7	126.5	35.9	-52.8	171.7	0	0	0	111.2
2076	H	29.7	Very low	33.2	Very low	155 Å²	155	133.6 Å²	133.6	72%	0.718	72%	0.722	S	S	*	*			cis	-93.9	-140.7	1	-154	-136.8	0	0	0	110.6
2077	S	31	Very low	32.9	Very low	97 Å²	97	137.1 Å²	137.1	68%	0.678	73%	0.73	S	S	*	*			cis	-157	172.6	0.5	-154.3	0	0	0	0	114
2078	T	36.5	Very low	32.7	Very low	110 Å²	110	137.7 Å²	137.7	68%	0.675	73%	0.734	S	S	*	*			trans	-125.3	-179.4	177.4	41.8	0	0	0	0	110.7
2079	P	43.2	Very low	32.3	Very low	94 Å²	94	135.5 Å²	135.5	61%	0.61	74%	0.735	S	S	*	*			cis	-137.2	-168.5	-23.7	25.6	-0.8	0	0	0	115.4
2080	H	33.9	Very low	32.2	Very low	169 Å²	169	133.1 Å²	133.1	78%	0.782	74%	0.735	S	S	*	*			trans	91	142	157.2	-59.3	-48.2	0	0	0	119.7
2081	R	30.7	Very low	32.8	Very low	224 Å²	224	126.9 Å²	126.9	85%	0.845	73%	0.727	S	S	*	*			cis	-165.4	141.6	-20.5	173.1	174.2	-178.9	178.5	1	110.1
2082	A	30.6	Very low	32.5	Very low	73 Å²	73	127.7 Å²	127.7	60%	0.603	73%	0.727	S	S	*	*			trans	56.8	128	164.7	0	0	0	0	0	118.4
2083	T	31.2	Very low	32.3	Very low	144 Å²	144	128.6 Å²	128.6	88%	0.883	73%	0.731	S	S	*	*			cis	78	131	34.2	73.6	0	0	0	0	116.6
2084	G	29.9	Very low	32.2	Very low	79 Å²	79	127.4 Å²	127.4	81%	0.814	73%	0.728	S	S	*	*			trans	124	121.2	146.5	0	0	0	0	0	116.9
2085	S	30	Very low	32.4	Very low	103 Å²	103	124.6 Å²	124.6	72%	0.72	73%	0.73	S	S	*	*			trans	-87.4	175.9	147.5	63.3	0	0	0	0	108.5
2086	E	28.5	Very low	32.5	Very low	148 Å²	148	123.7 Å²	123.7	69%	0.692	73%	0.732	S	S	*	*			cis	-165.8	164	15.8	-146.8	165.9	-85.9	0	0	111.7
2087	N	28.1	Very low	32.6	Very low	149 Å²	149	123 Å²	123	80%	0.797	73%	0.729	S	S	*	*			trans	70.8	168.9	159.5	-58.3	-46.6	0	0	0	120.3
2088	S	32.5	Very low	32.6	Very low	110 Å²	110	126.6 Å²	126.6	77%	0.769	73%	0.729	S	S	*	*			trans	-111.2	166.5	-166.5	-144.4	0	0	0	0	110.9
2089	P	36.1	Very low	32.3	Very low	121 Å²	121	128.7 Å²	128.7	79%	0.786	73%	0.731	S	S	*	*			cis	-142.8	-171	20.3	42.6	-20.5	0	0	0	118.6
2090	V	38	Very low	32	Very low	131 Å²	131	129.7 Å²	129.7	79%	0.794	74%	0.737	S	S	*	*			trans	-64.1	144.3	-179.6	175.7	0	0	0	0	112.7
2091	P	36	Very low	32.2	Very low	114 Å²	114	127 Å²	127	74%	0.74	73%	0.734	S	S	*	*				-155.5	167.7	67.4	44.5	-23.5	0	0	0	121.9
2092	A	28.1	Very low	32.2	Very low	87 Å²	87	123.5 Å²	123.5	72%	0.719	74%	0.739	S	S	*	*			trans	22.8	151.2	139.3	0	0	0	0	0	122.2
2093	L	29	Very low	32.1	Very low	146 Å²	146	125.6 Å²	125.6	76%	0.764	75%	0.748	S	S	*	*			cis	-153.9	-163.5	4.2	-113.8	164	0	0	0	107.2
2094	E	30.1	Very low	32.6	Very low	157 Å²	157	123.8 Å²	123.8	73%	0.734	74%	0.739	S	S	*	*			cis	-114.5	179.8	4.6	-92.1	-148.6	75.2	0	0	111.4
2095	S	34.4	Very low	32.6	Very low	82 Å²	82	128.6 Å²	128.6	57%	0.573	74%	0.74	S	S	*	*			cis	85.8	138.7	22.2	-62	0	0	0	0	116.3
2096	P	35.9	Very low	32.5	Very low	104 Å²	104	127.7 Å²	127.7	68%	0.675	73%	0.734	S	S	*	*				-134.9	145.7	86.2	38.3	-26.4	0	0	0	116.7
2097	H	30.4	Very low	32.4	Very low	141 Å²	141	126.3 Å²	126.3	65%	0.653	74%	0.736	S	S	*	*			trans	65.3	142.8	146.5	-59.2	-20.7	0	0	0	120.6
2098	Y	31	Very low	32.4	Very low	173 Å²	173	127.7 Å²	127.7	68%	0.678	74%	0.742	S	S	*	*			cis	-145	149.7	6.1	-105.4	-46.8	0	0	0	114
2099	H	30.7	Very low	32.1	Very low	154 Å²	154	125.9 Å²	125.9	71%	0.713	74%	0.741	S	S	*	*			trans	49.4	125.7	150.3	-65	-55	0	0	0	125.1
2100	P	37.2	Very low	31.8	Very low	115 Å²	115	126.8 Å²	126.8	75%	0.747	74%	0.744	S	S	*	*			trans	-105.5	-159.3	141.3	42.1	-31.5	0	0	0	110.1
2101	P	38.6	Very low	31.7	Very low	111 Å²	111	126 Å²	126	72%	0.721	75%	0.745	S	S	*	*			cis	-125.5	170.5	-42	35.6	-20.4	0	0	0	113.4
2102	T	30.4	Very low	31.4	Very low	152 Å²	152	126.2 Å²	126.2	93%	0.933	75%	0.746	S	S	*	*			trans	-160.1	176.2	147.4	4.3	0	0	0	0	113.3
2103	S	27.9	Very low	31.7	Very low	116 Å²	116	129.9 Å²	129.9	81%	0.811	75%	0.752	S	S	*	*			trans	-136.6	-153.6	-167.3	70.9	0	0	0	0	112.9
2104	P	42.6	Very low	31.9	Very low	106 Å²	106	128.7 Å²	128.7	69%	0.688	75%	0.753	S	S	*	*			trans	-118.7	170.9	-136.6	44.1	-30.2	0	0	0	117
2105	H	29.1	Very low	31.7	Very low	180 Å²	180	126.1 Å²	126.1	83%	0.833	75%	0.753	S	S	*	*			trans	-151.6	135.8	151.5	-97	-88	0	0	0	107.8
2106	S	27.7	Very low	31.3	Very low	85 Å²	85	127.4 Å²	127.4	59%	0.594	76%	0.761	S	S	*	*				84	145.7	56.3	97.1	0	0	0	0	112.8
2107	T	26.2	Very low	30.8	Very low	119 Å²	119	126.7 Å²	126.7	73%	0.73	76%	0.758	S	S	*	*			cis	-169.8	177.8	-10.9	10.3	0	0	0	0	108.3
2108	L	28.7	Very low	30.7	Very low	178 Å²	178	128.7 Å²	128.7	93%	0.932	77%	0.765	S	S	*	*			trans	69.5	151.2	176.3	-42.8	173.3	0	0	0	112.8
2109	G	26.7	Very low	30.6	Very low	71 Å²	71	124.9 Å²	124.9	73%	0.732	76%	0.764	S	S	*	*			cis	-165.2	177.4	-12.8	0	0	0	0	0	106.1
2110	T	29.8	Very low	30.4	Very low	140 Å²	140	123.8 Å²	123.8	86%	0.859	76%	0.762	S	S	*	*			cis	-151.7	165.6	-7	29.8	0	0	0	0	106.6
2111	S	34.8	Very low	30	Very low	116 Å²	116	124.7 Å²	124.7	81%	0.811	76%	0.757	S	S	*	*			trans	-74.9	150.2	166.6	-55.2	0	0	0	0	110.2
2112	P	29.3	Very low	29.5	Very low	118 Å²	118	124.9 Å²	124.9	77%	0.766	75%	0.752	S	S	*	*				-142.4	163.2	90.4	39.4	-26	0	0	0	115.4
2113	L	35.7	Very low	29.5	Very low	163 Å²	163	124.6 Å²	124.6	85%	0.853	74%	0.739	S	S	*	*			trans	-81.2	157.1	155.3	-70.1	163.4	0	0	0	108.4
2114	P	32.1	Very low	30.2	Very low	121 Å²	121	124.5 Å²	124.5	79%	0.786	74%	0.736	S	S	*	*				-142.7	172.2	102.2	36.8	-22.3	0	0	0	116.2
2115	S	25.6	Very low	29.8	Very low	103 Å²	103	124.6 Å²	124.6	72%	0.72	73%	0.734	S	S	*	*			trans	-54.5	144.6	-179.1	49.9	0	0	0	0	118.3
2116	C	26.3	Very low	29.9	Very low	110 Å²	110	121.7 Å²	121.7	74%	0.743	73%	0.725	S	S	*	*				-166.2	140	101.7	-102.6	0	0	0	0	109.3
2117	S	26.5	Very low	30	Very low	88 Å²	88	127.5 Å²	127.5	62%	0.615	73%	0.734	S	S	*	*			cis	66.6	127.6	46.4	119.8	0	0	0	0	111.5
2118	K	28.3	Very low	30.2	Very low	184 Å²	184	126.7 Å²	126.7	80%	0.8	73%	0.733	S	S	*	*			cis	-148.3	148.3	18.3	-102.3	162.6	-176	172.9	0	109.1
2119	S	27.7	Very low	30.2	Very low	93 Å²	93	126.4 Å²	126.4	65%	0.65	73%	0.731	S	S	*	*				70.8	141.8	90.9	111.8	0	0	0	0	114.8
2120	L	27	Very low	30.5	Very low	131 Å²	131	127.9 Å²	127.9	69%	0.686	73%	0.729	S	S	*	*			cis	-171.5	157.4	-0.4	-109.8	165.5	0	0	0	111.2
2121	Q	28.5	Very low	30.7	Very low	134 Å²	134	127.7 Å²	127.7	63%	0.626	72%	0.723	S	S	*	*			trans	57.7	159.2	147	-79.1	162.7	-39.5	0	0	120.9
2122	N	28.6	Very low	30.3	Very low	115 Å²	115	128.1 Å²	128.1	62%	0.615	71%	0.712	S	S	*	*			cis	-140.3	175.4	6.4	-113.4	-14.5	0	0	0	108
2123	H	30.2	Very low	30.2	Very low	146 Å²	146	134.5 Å²	134.5	68%	0.676	72%	0.721	S	S	*	*			cis	78.9	161.4	17.2	-35.6	-23.6	0	0	0	114.9
2124	P	42.9	Very low	30	Very low	114 Å²	114	137.7 Å²	137.7	74%	0.74	72%	0.722	S	S	*	*			cis	-113.9	-162	-16.9	22.6	2.6	0	0	0	110.4
2125	V	34.5	Very low	29.8	Very low	108 Å²	108	142.3 Å²	142.3	66%	0.655	73%	0.73	S	S	*	*			cis	-157.4	122	39.2	169.1	0	0	0	0	111.9
2126	D	30.4	Very low	29.9	Very low	118 Å²	118	140.8 Å²	140.8	63%	0.631	73%	0.731	S	S	*	*			trans	43.8	158.4	135.8	-67.4	-1.2	0	0	0	123.9
2127	R	30.7	Very low	30	Very low	208 Å²	208	138.1 Å²	138.1	79%	0.785	72%	0.722	S	S	*	*			cis	-156.1	171.2	4.8	-125.7	164.6	-96.6	134.8	5.3	107.5
2128	S	30.2	Very low	30.6	Very low	101 Å²	101	139.4 Å²	139.4	71%	0.706	73%	0.728	S	S	*	*			cis	-155.8	164.8	-4.1	79.2	0	0	0	0	109.8
2129	I	29.1	Very low	31.4	Very low	173 Å²	173	137 Å²	137	89%	0.887	72%	0.718	S	S	*	*			trans	-143.3	140.3	163.5	-64.7	-177.7	0	0	0	109.6
2130	S	32.2	Very low	32.1	Very low	101 Å²	101	140.2 Å²	140.2	71%	0.706	72%	0.72	S	S	*	*			trans	-166.6	138.5	175.7	172.6	0	0	0	0	109.9
2131	N	33.8	Very low	33.3	Very low	136 Å²	136	139.5 Å²	139.5	73%	0.727	72%	0.724	S	S	*	*			cis	-160.8	150.3	-7.6	-121.7	-51.8	0	0	0	112.2
2132	H	27.3	Very low	34.8	Very low	126 Å²	126	136 Å²	136	58%	0.583	71%	0.708	S	S	*	*			trans	-159.9	94	167.3	-114.2	54.3	0	0	0	114.2	R145	R145-H2132 PolarHBondContact NE-CE1 3.31Å; R145-H2132 PolarHBondContact NE-NE2 3.46Å; R145-H2132 PolarHBondContact NH1-NE2 2.8Å; R145-H2132 PolarHBondContact NH2-CE1 3.38Å; R145-H2132 PolarHBondContact NH2-NE2 2.83Å; R145-H2132 VanDerWaalsContact NH2-NE2 3.12Å
2133	R	27.5	Very low	35.9	Very low	251 Å²	251	135.1 Å²	135.1	95%	0.947	72%	0.717	S	S	*	*			trans	-172	173.5	138.2	-107.8	167	-164.1	-126.8	0.9	113.5
2134	R	30.3	Very low	37.4	Very low	230 Å²	230	129.9 Å²	129.9	87%	0.868	70%	0.703	S	S	*	*			trans	-89.6	171.5	177.7	-70.4	-179.9	170.6	-173.3	-2.2	111.3
2135	F	27.8	Very low	39.2	Very low	218 Å²	218	126.6 Å²	126.6	96%	0.956	68%	0.677	S	S	*	*			trans	82.4	85.7	-175.6	-65.9	-80.5	0	0	0	114.1
2136	G	28.7	Very low	41	Very low	72 Å²	72	131 Å²	131	74%	0.742	68%	0.683	S	S	*	*			trans	-176.4	141.7	171.4	0	0	0	0	0	108.1
2137	G	28.1	Very low	43.4	Very low	54 Å²	54	131.9 Å²	131.9	56%	0.557	69%	0.688	S	S	*	*			trans	-74.6	172.8	174.3	0	0	0	0	0	112.3	F2139	G2137-F2139 PolarHBondContact O-N 3.42Å
2138	P	38.2	Very low	45.7	Very low	114 Å²	114	125 Å²	125	74%	0.74	67%	0.666	S	S	*	*			trans	-65.1	116.1	172.9	28.2	-33	0	0	0	109.9	F2140	P2138-F2140 PolarHBondContact O-N 2.63Å
2139	F	46.1	Very low	47.8	Very low	134 Å²	134	124 Å²	124	59%	0.588	66%	0.658	S	S	*	*			trans	-73.1	109.3	169.7	-90.2	-119	0	0	0	108.8	G2137 I2164	G2137-F2139 PolarHBondContact O-N 3.42Å; F2139-I2164 HydrophobicContact CE1-CD1 3.66Å; F2139-I2164 HydrophobicContact CZ-CD1 3.47Å; F2139-I2164 VanDerWaalsContact CZ-CD1 3.47Å; F2139-I2164 HydrophobicContact CZ-CG1 3.98Å
2140	F	43.1	Very low	49.9	Very low	161 Å²	161	119.8 Å²	119.8	71%	0.706	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-65	134.2	163.4	-70.8	-89.5	0	0	0	109.2	P2138 R2160	P2138-F2140 PolarHBondContact O-N 2.63Å; F2140-R2160 PolarHBondContact O-NH1 2.89Å; F2140-R2160 PolarHBondContact O-NH2 3.46Å
2141	P	50.8	Low	52	Low	116 Å²	116	120.6 Å²	120.6	75%	0.753	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-62.8	147.7	166.7	29.4	-33.9	0	0	0	109.2
2142	I	60.2	Low	54.4	Low	59 Å²	59	116.2 Å²	116.2	30%	0.303	62%	0.618	S	S	.	*	P	Polyproline II helix	trans	-81.2	121.6	167.4	-69.2	147.4	0	0	0	106.2	F2145 V2156 R2160	I2142-F2145 HydrophobicContact CB-CB 4.01Å; I2142-F2145 HydrophobicContact CB-CD2 4.39Å; I2142-F2145 HydrophobicContact CD1-CD2 4.23Å; I2142-F2145 HydrophobicContact CG2-CB 4.05Å; I2142-F2145 HydrophobicContact CG2-CD2 4.37Å; I2142-F2145 WeakPolarHBondContact O-CB 3.49Å; I2142-F2145 PolarHBondContact O-N 3.1Å; I2142-V2156 HydrophobicContact CD1-CG1 3.57Å; I2142-R2160 VanDerWaalsContact CD1-NH1 3.34Å
2143	A	51.6	Low	57.1	Low	97 Å²	97	112.7 Å²	112.7	80%	0.802	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	143.9	171.1	0	0	0	0	0	109.2	F2145	A2143-F2145 PolarHBondContact O-N 3.19Å
2144	G	62.6	Low	59.5	Low	37 Å²	37	104.4 Å²	104.4	38%	0.381	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	76.6	-2	-175.6	0	0	0	0	0	115.5	Y2146 D2147 L2148	G2144-Y2146 PolarHBondContact O-N 3.33Å; G2144-Y2146 VanDerWaalsContact O-N 3.09Å; G2144-D2147 VanDerWaalsContact CA-OD2 3.28Å; G2144-D2147 WeakPolarHBondContact CA-OD2 3.48Å; G2144-D2147 PolarHBondContact O-N 2.81Å; G2144-L2148 PolarHBondContact O-N 2.57Å; G2144-L2148 VanDerWaalsContact O-N 3.15Å
2145	F	79.2	Confident	62.1	Low	45 Å²	45	99.7 Å²	99.7	20%	0.197	57%	0.569	C	S	.	*	T	Hydrogen-bonded Turn	trans	-63.5	-20.1	-174.3	-171	-98.1	0	0	0	114.4	I2142 A2143 K2153 L2157	I2142-F2145 HydrophobicContact CB-CB 4.01Å; I2142-F2145 HydrophobicContact CB-CD2 4.39Å; I2142-F2145 HydrophobicContact CD1-CD2 4.23Å; I2142-F2145 HydrophobicContact CG2-CB 4.05Å; I2142-F2145 HydrophobicContact CG2-CD2 4.37Å; I2142-F2145 WeakPolarHBondContact O-CB 3.49Å; I2142-F2145 PolarHBondContact O-N 3.1Å; A2143-F2145 PolarHBondContact O-N 3.19Å; F2145-K2153 HydrophobicContact CD2-CG 4.31Å; F2145-K2153 HydrophobicContact CE1-CD 4.39Å; F2145-K2153 HydrophobicContact CE1-CG 4.43Å; F2145-K2153 HydrophobicContact CE2-CB 3.88Å; F2145-K2153 HydrophobicContact CE2-CG 3.94Å; F2145-K2153 HydrophobicContact CZ-CB 3.82Å; F2145-K2153 HydrophobicContact CZ-CD 4.37Å; F2145-K2153 HydrophobicContact CZ-CG 3.99Å; F2145-K2153 WeakPolarHBondContact O-CD 3.36Å; F2145-K2153 WeakPolarHBondContact O-CE 3.5Å; F2145-K2153 WeakPolarHBondContact O-CG 3.45Å; F2145-L2157 HydrophobicContact CE2-CG 4.17Å; F2145-L2157 HydrophobicContact CZ-CD1 3.81Å; F2145-L2157 HydrophobicContact CZ-CD2 4.47Å; F2145-L2157 HydrophobicContact CZ-CG 3.81Å
2146	Y	74.3	Confident	64.7	Low	199 Å²	199	90.7 Å²	90.7	78%	0.78	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-20.1	174.3	-69.5	-77.8	0	0	0	112.8	G2144 K2153	G2144-Y2146 PolarHBondContact O-N 3.33Å; G2144-Y2146 VanDerWaalsContact O-N 3.09Å; Y2146-K2153 PolarHBondContact O-NZ 3Å
2147	D	79.8	Confident	67.5	Low	138 Å²	138	92.1 Å²	92.1	74%	0.738	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	-19	-166.8	-40.9	-68	0	0	0	112.5	G2144	G2144-D2147 VanDerWaalsContact CA-OD2 3.28Å; G2144-D2147 WeakPolarHBondContact CA-OD2 3.48Å; G2144-D2147 PolarHBondContact O-N 2.81Å
2148	L	78.5	Confident	70.2	Confident	62 Å²	62	95.8 Å²	95.8	33%	0.325	52%	0.524	S	S	.	.	S	Bend	trans	-61.5	160.3	171.3	-72.4	166.9	0	0	0	112.8	G2144 V2152 K2153	G2144-L2148 PolarHBondContact O-N 2.57Å; G2144-L2148 VanDerWaalsContact O-N 3.15Å; L2148-V2152 HydrophobicContact CD1-CG1 4.34Å; L2148-V2152 HydrophobicContact CD2-CG1 4.05Å; L2148-K2153 HydrophobicContact CB-CG 4.01Å; L2148-K2153 WeakPolarHBondContact O-CE 3.43Å; L2148-K2153 PolarHBondContact O-NZ 3.35Å
2149	P	73.9	Confident	72.5	Confident	81 Å²	81	94.9 Å²	94.9	53%	0.526	51%	0.51	S	S	.	.			trans	-63.2	159.1	166.7	-22.9	34.7	0	0	0	113	D2151 V2152 K2153	P2149-D2151 PolarHBondContact O-N 2.94Å; P2149-V2152 HydrophobicContact CB-CG2 4.27Å; P2149-V2152 HydrophobicContact CG-CG2 4.22Å; P2149-V2152 PolarHBondContact O-N 2.82Å; P2149-K2153 WeakPolarHBondContact O-CG 3.19Å; P2149-K2153 PolarHBondContact O-N 2.82Å
2150	S	74.7	Confident	74.2	Confident	84 Å²	84	91.8 Å²	91.8	59%	0.587	49%	0.494	S	S	*	.	H	α-helix	trans	-52.9	-38.8	178.9	44.4	0	0	0	0	113.4	K2153 C2154	S2150-K2153 WeakPolarHBondContact O-CB 3.37Å; S2150-K2153 PolarHBondContact O-N 3.03Å; S2150-C2154 PolarHBondContact O-N 3.16Å
2151	D	76.7	Confident	76.3	Confident	119 Å²	119	89.3 Å²	89.3	64%	0.636	49%	0.486	S	S	*	.	H	α-helix	trans	-82.3	-39.9	-166.2	-50.8	-13.3	0	0	0	109.3	P2149 C2154 Q2155	P2149-D2151 PolarHBondContact O-N 2.94Å; D2151-C2154 WeakPolarHBondContact O-CA 3.14Å; D2151-C2154 VanDerWaalsContact O-CB 3.29Å; D2151-C2154 WeakPolarHBondContact O-CB 3.42Å; D2151-C2154 PolarHBondContact O-N 2.98Å; D2151-C2154 VanDerWaalsContact O-N 3.1Å; D2151-Q2155 WeakPolarHBondContact O-CB 3.31Å; D2151-Q2155 PolarHBondContact O-N 2.89Å
2152	V	83	Confident	77.9	Confident	44 Å²	44	89.2 Å²	89.2	27%	0.267	48%	0.476	S	S	.	.	H	α-helix	trans	-64.1	-39.8	169.7	-169.3	0	0	0	0	111	L2148 P2149 C2154 Q2155 V2156	L2148-V2152 HydrophobicContact CD1-CG1 4.34Å; L2148-V2152 HydrophobicContact CD2-CG1 4.05Å; P2149-V2152 HydrophobicContact CB-CG2 4.27Å; P2149-V2152 HydrophobicContact CG-CG2 4.22Å; P2149-V2152 PolarHBondContact O-N 2.82Å; V2152-C2154 VanDerWaalsContact C-N 3.25Å; V2152-C2154 PolarHBondContact O-N 2.76Å; V2152-Q2155 PolarHBondContact O-N 2.87Å; V2152-V2156 HydrophobicContact CG1-CG2 4.16Å; V2152-V2156 WeakPolarHBondContact O-CB 3.32Å; V2152-V2156 VanDerWaalsContact O-CG2 3.28Å; V2152-V2156 WeakPolarHBondContact O-CG2 3.4Å; V2152-V2156 PolarHBondContact O-N 3.13Å
2153	K	83.2	Confident	79.1	Confident	52 Å²	52	93.6 Å²	93.6	23%	0.226	49%	0.488	C	S	.	.	H	α-helix	trans	-58.4	-39	170.9	-72.2	179	-151.9	-178.8	0	112	F2145 Y2146 L2148 P2149 S2150 L2157	F2145-K2153 HydrophobicContact CD2-CG 4.31Å; F2145-K2153 HydrophobicContact CE1-CD 4.39Å; F2145-K2153 HydrophobicContact CE1-CG 4.43Å; F2145-K2153 HydrophobicContact CE2-CB 3.88Å; F2145-K2153 HydrophobicContact CE2-CG 3.94Å; F2145-K2153 HydrophobicContact CZ-CB 3.82Å; F2145-K2153 HydrophobicContact CZ-CD 4.37Å; F2145-K2153 HydrophobicContact CZ-CG 3.99Å; F2145-K2153 WeakPolarHBondContact O-CD 3.36Å; F2145-K2153 WeakPolarHBondContact O-CE 3.5Å; F2145-K2153 WeakPolarHBondContact O-CG 3.45Å; Y2146-K2153 PolarHBondContact O-NZ 3Å; L2148-K2153 HydrophobicContact CB-CG 4.01Å; L2148-K2153 WeakPolarHBondContact O-CE 3.43Å; L2148-K2153 PolarHBondContact O-NZ 3.35Å; P2149-K2153 WeakPolarHBondContact O-CG 3.19Å; P2149-K2153 PolarHBondContact O-N 2.82Å; S2150-K2153 WeakPolarHBondContact O-CB 3.37Å; S2150-K2153 PolarHBondContact O-N 3.03Å; K2153-L2157 VanDerWaalsContact O-CB 3.27Å; K2153-L2157 WeakPolarHBondContact O-CB 3.12Å; K2153-L2157 WeakPolarHBondContact O-CG 3.37Å; K2153-L2157 PolarHBondContact O-N 3.43Å
2154	C	78.4	Confident	80.7	Confident	76 Å²	76	92.6 Å²	92.6	51%	0.514	47%	0.469	S	S	.	.	H	α-helix	trans	-68.1	-46.2	178	-159.1	0	0	0	0	111.3	S2150 D2151 V2152 L2157 Q2158	S2150-C2154 PolarHBondContact O-N 3.16Å; D2151-C2154 WeakPolarHBondContact O-CA 3.14Å; D2151-C2154 VanDerWaalsContact O-CB 3.29Å; D2151-C2154 WeakPolarHBondContact O-CB 3.42Å; D2151-C2154 PolarHBondContact O-N 2.98Å; D2151-C2154 VanDerWaalsContact O-N 3.1Å; V2152-C2154 VanDerWaalsContact C-N 3.25Å; V2152-C2154 PolarHBondContact O-N 2.76Å; C2154-L2157 WeakPolarHBondContact O-CB 3.41Å; C2154-L2157 PolarHBondContact O-N 3.35Å; C2154-Q2158 WeakPolarHBondContact O-CB 3.19Å; C2154-Q2158 PolarHBondContact O-N 3.09Å
2155	Q	84.3	Confident	81.9	Confident	132 Å²	132	94.7 Å²	94.7	62%	0.617	47%	0.471	S	S	*	.	H	α-helix	trans	-62.4	-48.2	178.5	-167.5	166.7	-3.8	0	0	111.7	D2151 V2152 L2157 Q2158 E2159	D2151-Q2155 WeakPolarHBondContact O-CB 3.31Å; D2151-Q2155 PolarHBondContact O-N 2.89Å; V2152-Q2155 PolarHBondContact O-N 2.87Å; Q2155-L2157 VanDerWaalsContact C-N 3.33Å; Q2155-L2157 PolarHBondContact O-N 3.11Å; Q2155-Q2158 PolarHBondContact O-N 3Å; Q2155-Q2158 VanDerWaalsContact O-N 3.15Å; Q2155-E2159 WeakPolarHBondContact O-CB 3.21Å; Q2155-E2159 PolarHBondContact O-N 2.96Å
2156	V	84.4	Confident	82.2	Confident	29 Å²	29	97.4 Å²	97.4	18%	0.176	48%	0.484	C	S	.	.	H	α-helix	trans	-63.7	-35.3	175	173.4	0	0	0	0	111.9	I2142 V2152 R2160	I2142-V2156 HydrophobicContact CD1-CG1 3.57Å; V2152-V2156 HydrophobicContact CG1-CG2 4.16Å; V2152-V2156 WeakPolarHBondContact O-CB 3.32Å; V2152-V2156 VanDerWaalsContact O-CG2 3.28Å; V2152-V2156 WeakPolarHBondContact O-CG2 3.4Å; V2152-V2156 PolarHBondContact O-N 3.13Å; V2156-R2160 WeakPolarHBondContact O-CB 3.4Å; V2156-R2160 PolarHBondContact O-N 3.08Å; V2156-R2160 VanDerWaalsContact O-N 3.09Å
2157	L	86.6	Confident	82.6	Confident	102 Å²	102	90.7 Å²	90.7	53%	0.534	47%	0.47	S	S	.	.	H	α-helix	trans	-65.3	-43.9	171.2	-89.7	168.6	0	0	0	112.3	F2145 K2153 C2154 Q2155 M2161	F2145-L2157 HydrophobicContact CE2-CG 4.17Å; F2145-L2157 HydrophobicContact CZ-CD1 3.81Å; F2145-L2157 HydrophobicContact CZ-CD2 4.47Å; F2145-L2157 HydrophobicContact CZ-CG 3.81Å; K2153-L2157 VanDerWaalsContact O-CB 3.27Å; K2153-L2157 WeakPolarHBondContact O-CB 3.12Å; K2153-L2157 WeakPolarHBondContact O-CG 3.37Å; K2153-L2157 PolarHBondContact O-N 3.43Å; C2154-L2157 WeakPolarHBondContact O-CB 3.41Å; C2154-L2157 PolarHBondContact O-N 3.35Å; Q2155-L2157 VanDerWaalsContact C-N 3.33Å; Q2155-L2157 PolarHBondContact O-N 3.11Å; L2157-M2161 VanDerWaalsContact O-CB 3.28Å; L2157-M2161 WeakPolarHBondContact O-CB 3.48Å; L2157-M2161 PolarHBondContact O-N 3.26Å
2158	Q	85.4	Confident	82.9	Confident	130 Å²	130	91.7 Å²	91.7	61%	0.607	46%	0.463	S	S	*	.	H	α-helix	trans	-67.7	-44.8	-178.2	179	172.2	-22.3	0	0	111.8	C2154 Q2155 M2161 H2162	C2154-Q2158 WeakPolarHBondContact O-CB 3.19Å; C2154-Q2158 PolarHBondContact O-N 3.09Å; Q2155-Q2158 PolarHBondContact O-N 3Å; Q2155-Q2158 VanDerWaalsContact O-N 3.15Å; Q2158-M2161 WeakPolarHBondContact O-CB 3.21Å; Q2158-M2161 PolarHBondContact O-N 2.89Å; Q2158-H2162 PolarHBondContact O-N 3.23Å
2159	E	86.4	Confident	83.3	Confident	96 Å²	96	95.7 Å²	95.7	45%	0.449	47%	0.474	S	S	.	.	H	α-helix	trans	-64.7	-44.7	177.7	-152	-98.3	124.8	0	0	110.3	Q2155 M2161 H2162 R2163	Q2155-E2159 WeakPolarHBondContact O-CB 3.21Å; Q2155-E2159 PolarHBondContact O-N 2.96Å; E2159-M2161 PolarHBondContact O-N 3.43Å; E2159-H2162 WeakPolarHBondContact O-CB 3.19Å; E2159-H2162 PolarHBondContact O-N 3.2Å; E2159-H2162 VanDerWaalsContact O-N 3.1Å; E2159-R2163 PolarHBondContact O-N 2.76Å; E2159-R2163 IonicContact OE1-CZ 3.91Å; E2159-R2163 IonicContact OE1-NE 3.69Å; E2159-R2163 PolarHBondContact OE1-NE 2.66Å; E2159-R2163 IonicContact OE1-NH2 2.8Å; E2159-R2163 PolarHBondContact OE1-NH2 3.16Å; E2159-R2163 IonicContact OE2-CZ 2.88Å; E2159-R2163 IonicContact OE2-NE 3.26Å; E2159-R2163 IonicContact OE2-NH2 2.63Å; E2159-R2163 PolarHBondContact OE2-NH2 2.87Å
2160	R	81.5	Confident	84	Confident	68 Å²	68	97.6 Å²	97.6	26%	0.257	48%	0.479	S	S	.	.	H	α-helix	trans	-61.1	-40.3	171.7	-170.2	172.5	-171.4	165.1	8.3	112.5	F2140 I2142 V2156 H2162 R2163 I2164	F2140-R2160 PolarHBondContact O-NH1 2.89Å; F2140-R2160 PolarHBondContact O-NH2 3.46Å; I2142-R2160 VanDerWaalsContact CD1-NH1 3.34Å; V2156-R2160 WeakPolarHBondContact O-CB 3.4Å; V2156-R2160 PolarHBondContact O-N 3.08Å; V2156-R2160 VanDerWaalsContact O-N 3.09Å; R2160-H2162 VanDerWaalsContact C-N 3.31Å; R2160-H2162 PolarHBondContact O-N 3.02Å; R2160-R2163 PolarHBondContact O-N 3.16Å; R2160-I2164 HydrophobicContact CG-CD1 4.09Å; R2160-I2164 VanDerWaalsContact O-CD1 3.26Å; R2160-I2164 WeakPolarHBondContact O-CD1 3.09Å; R2160-I2164 WeakPolarHBondContact O-CG1 3.35Å; R2160-I2164 PolarHBondContact O-N 3.03Å
2161	M	86.2	Confident	84.5	Confident	110 Å²	110	95.9 Å²	95.9	54%	0.542	47%	0.47	S	S	.	.	H	α-helix	trans	-63.1	-37	174.3	-176.7	170.7	63.2	0	0	111.7	L2157 Q2158 E2159 I2164 L2165	L2157-M2161 VanDerWaalsContact O-CB 3.28Å; L2157-M2161 WeakPolarHBondContact O-CB 3.48Å; L2157-M2161 PolarHBondContact O-N 3.26Å; Q2158-M2161 WeakPolarHBondContact O-CB 3.21Å; Q2158-M2161 PolarHBondContact O-N 2.89Å; E2159-M2161 PolarHBondContact O-N 3.43Å; M2161-I2164 PolarHBondContact O-N 2.88Å; M2161-L2165 HydrophobicContact CG-CD1 4.28Å; M2161-L2165 WeakPolarHBondContact O-CG 3.11Å; M2161-L2165 PolarHBondContact O-N 3.38Å
2162	H	85	Confident	85	Confident	113 Å²	113	95.8 Å²	95.8	52%	0.523	46%	0.464	S	S	.	.	H	α-helix	trans	-64.2	-50.4	175.5	-155.2	-103.8	0	0	0	111.5	Q2158 E2159 R2160 I2164 L2165 E2166	Q2158-H2162 PolarHBondContact O-N 3.23Å; E2159-H2162 WeakPolarHBondContact O-CB 3.19Å; E2159-H2162 PolarHBondContact O-N 3.2Å; E2159-H2162 VanDerWaalsContact O-N 3.1Å; R2160-H2162 VanDerWaalsContact C-N 3.31Å; R2160-H2162 PolarHBondContact O-N 3.02Å; H2162-I2164 PolarHBondContact O-N 3.02Å; H2162-L2165 PolarHBondContact O-N 2.67Å; H2162-L2165 VanDerWaalsContact O-N 3.08Å; H2162-E2166 PolarHBondContact O-N 2.82Å
2163	R	86.2	Confident	85.1	Confident	152 Å²	152	97.6 Å²	97.6	57%	0.574	47%	0.47	S	S	*	.	H	α-helix	trans	-57.9	-34	174.8	-61.5	-169.6	-162	-164	12.3	112.7	E2159 R2160 A2167	E2159-R2163 PolarHBondContact O-N 2.76Å; E2159-R2163 IonicContact OE1-CZ 3.91Å; E2159-R2163 IonicContact OE1-NE 3.69Å; E2159-R2163 PolarHBondContact OE1-NE 2.66Å; E2159-R2163 IonicContact OE1-NH2 2.8Å; E2159-R2163 PolarHBondContact OE1-NH2 3.16Å; E2159-R2163 IonicContact OE2-CZ 2.88Å; E2159-R2163 IonicContact OE2-NE 3.26Å; E2159-R2163 IonicContact OE2-NH2 2.63Å; E2159-R2163 PolarHBondContact OE2-NH2 2.87Å; R2160-R2163 PolarHBondContact O-N 3.16Å; R2163-A2167 VanDerWaalsContact O-CB 3.31Å; R2163-A2167 WeakPolarHBondContact O-CB 3.26Å; R2163-A2167 PolarHBondContact O-N 2.55Å
2164	I	85.4	Confident	85.2	Confident	75 Å²	75	102 Å²	102	39%	0.385	49%	0.486	S	S	.	.	H	α-helix	trans	-67.5	-45.4	174.6	-69.4	157.2	0	0	0	111.7	F2139 R2160 M2161 H2162 E2166 A2167 W2168	F2139-I2164 HydrophobicContact CE1-CD1 3.66Å; F2139-I2164 HydrophobicContact CZ-CD1 3.47Å; F2139-I2164 VanDerWaalsContact CZ-CD1 3.47Å; F2139-I2164 HydrophobicContact CZ-CG1 3.98Å; R2160-I2164 HydrophobicContact CG-CD1 4.09Å; R2160-I2164 VanDerWaalsContact O-CD1 3.26Å; R2160-I2164 WeakPolarHBondContact O-CD1 3.09Å; R2160-I2164 WeakPolarHBondContact O-CG1 3.35Å; R2160-I2164 PolarHBondContact O-N 3.03Å; M2161-I2164 PolarHBondContact O-N 2.88Å; H2162-I2164 PolarHBondContact O-N 3.02Å; I2164-E2166 VanDerWaalsContact C-N 3.32Å; I2164-E2166 PolarHBondContact O-N 2.87Å; I2164-A2167 PolarHBondContact O-N 3.03Å; I2164-W2168 WeakPolarHBondContact O-CB 3.46Å; I2164-W2168 PolarHBondContact O-N 2.9Å
2165	L	86.6	Confident	85.5	Confident	81 Å²	81	104 Å²	104	42%	0.424	49%	0.491	S	S	.	.	H	α-helix	trans	-65.5	-36.5	178.7	-72.1	168.8	0	0	0	111.7	M2161 H2162 W2168 R2169	M2161-L2165 HydrophobicContact CG-CD1 4.28Å; M2161-L2165 WeakPolarHBondContact O-CG 3.11Å; M2161-L2165 PolarHBondContact O-N 3.38Å; H2162-L2165 PolarHBondContact O-N 2.67Å; H2162-L2165 VanDerWaalsContact O-N 3.08Å; L2165-W2168 PolarHBondContact O-N 3.22Å; L2165-R2169 WeakPolarHBondContact O-CG 3.2Å; L2165-R2169 PolarHBondContact O-N 2.84Å
2166	E	86	Confident	85.6	Confident	102 Å²	102	103.3 Å²	103.3	48%	0.477	49%	0.486	S	S	.	.	H	α-helix	trans	-67.1	-49.9	174	-176.4	163.1	-130.9	0	0	112.5	H2162 I2164 W2168 R2169 L2170	H2162-E2166 PolarHBondContact O-N 2.82Å; I2164-E2166 VanDerWaalsContact C-N 3.32Å; I2164-E2166 PolarHBondContact O-N 2.87Å; E2166-W2168 PolarHBondContact O-N 2.88Å; E2166-R2169 WeakPolarHBondContact O-CB 3.27Å; E2166-R2169 PolarHBondContact O-N 2.95Å; E2166-L2170 HydrophobicContact CG-CD1 4.44Å; E2166-L2170 PolarHBondContact O-N 3.09Å
2167	A	83.5	Confident	85.8	Confident	58 Å²	58	104.4 Å²	104.4	48%	0.479	49%	0.491	S	S	.	.	H	α-helix	trans	-57.1	-34.3	172.8	0	0	0	0	0	112.3	R2163 I2164 A2171	R2163-A2167 VanDerWaalsContact O-CB 3.31Å; R2163-A2167 WeakPolarHBondContact O-CB 3.26Å; R2163-A2167 PolarHBondContact O-N 2.55Å; I2164-A2167 PolarHBondContact O-N 3.03Å; A2167-A2171 VanDerWaalsContact O-CB 3.27Å; A2167-A2171 WeakPolarHBondContact O-CB 3.23Å; A2167-A2171 PolarHBondContact O-N 3.38Å
2168	W	85	Confident	85.7	Confident	160 Å²	160	103.4 Å²	103.4	61%	0.606	49%	0.485	S	S	*	.	H	α-helix	trans	-69.8	-39.1	173.7	-172.6	81.6	0	0	0	113	I2164 L2165 E2166 K2172	I2164-W2168 WeakPolarHBondContact O-CB 3.46Å; I2164-W2168 PolarHBondContact O-N 2.9Å; L2165-W2168 PolarHBondContact O-N 3.22Å; E2166-W2168 PolarHBondContact O-N 2.88Å; W2168-K2172 HydrophobicContact CH2-CD 4.11Å; W2168-K2172 HydrophobicContact CZ3-CD 4.16Å; W2168-K2172 VanDerWaalsContact O-CB 3.26Å; W2168-K2172 WeakPolarHBondContact O-CB 3.42Å; W2168-K2172 PolarHBondContact O-N 2.88Å
2169	R	86.9	Confident	85.9	Confident	146 Å²	146	101.6 Å²	101.6	55%	0.551	48%	0.48	S	S	*	.	H	α-helix	trans	-62	-47.9	172.2	-73.5	177.1	-177.2	112.9	-7.8	111.2	L2165 E2166 K2172 Q2173	L2165-R2169 WeakPolarHBondContact O-CG 3.2Å; L2165-R2169 PolarHBondContact O-N 2.84Å; E2166-R2169 WeakPolarHBondContact O-CB 3.27Å; E2166-R2169 PolarHBondContact O-N 2.95Å; R2169-K2172 WeakPolarHBondContact O-CB 3.01Å; R2169-K2172 PolarHBondContact O-N 2.81Å; R2169-Q2173 PolarHBondContact O-N 2.93Å
2170	L	88.6	Confident	85.7	Confident	120 Å²	120	103.4 Å²	103.4	63%	0.628	49%	0.488	S	S	*	.	H	α-helix	trans	-61.1	-45	177.4	-68.3	173	0	0	0	111.7	E2166 K2172 Q2173 Y2174	E2166-L2170 HydrophobicContact CG-CD1 4.44Å; E2166-L2170 PolarHBondContact O-N 3.09Å; L2170-K2172 VanDerWaalsContact C-N 3.32Å; L2170-K2172 PolarHBondContact O-N 3.33Å; L2170-Q2173 PolarHBondContact O-N 2.9Å; L2170-Y2174 PolarHBondContact O-N 3.13Å
2171	A	84.5	Confident	85.9	Confident	49 Å²	49	108.4 Å²	108.4	41%	0.405	51%	0.507	S	S	.	.	H	α-helix	trans	-62.1	-37.8	174.8	0	0	0	0	0	112.7	A2167 Y2174 L2175	A2167-A2171 VanDerWaalsContact O-CB 3.27Å; A2167-A2171 WeakPolarHBondContact O-CB 3.23Å; A2167-A2171 PolarHBondContact O-N 3.38Å; A2171-Y2174 PolarHBondContact O-N 2.99Å; A2171-L2175 WeakPolarHBondContact O-CB 3.29Å; A2171-L2175 PolarHBondContact O-N 2.75Å
2172	K	87.6	Confident	85.9	Confident	116 Å²	116	106 Å²	106	50%	0.504	50%	0.502	S	S	.	.	H	α-helix	trans	-67.8	-34.4	176	-171.9	177.7	-178.1	-178.3	0	112.2	W2168 R2169 L2170 K2176	W2168-K2172 HydrophobicContact CH2-CD 4.11Å; W2168-K2172 HydrophobicContact CZ3-CD 4.16Å; W2168-K2172 VanDerWaalsContact O-CB 3.26Å; W2168-K2172 WeakPolarHBondContact O-CB 3.42Å; W2168-K2172 PolarHBondContact O-N 2.88Å; R2169-K2172 WeakPolarHBondContact O-CB 3.01Å; R2169-K2172 PolarHBondContact O-N 2.81Å; L2170-K2172 VanDerWaalsContact C-N 3.32Å; L2170-K2172 PolarHBondContact O-N 3.33Å; K2172-K2176 PolarHBondContact O-N 3.2Å
2173	Q	85.2	Confident	85.8	Confident	83 Å²	83	103.8 Å²	103.8	39%	0.388	49%	0.494	S	S	.	.	H	α-helix	trans	-70.6	-47.9	172.5	-174	57.1	36.2	0	0	111.3	R2169 L2170 L2175 K2176 D2177	R2169-Q2173 PolarHBondContact O-N 2.93Å; L2170-Q2173 PolarHBondContact O-N 2.9Å; Q2173-L2175 PolarHBondContact O-N 3.4Å; Q2173-L2175 VanDerWaalsContact O-N 3.15Å; Q2173-K2176 WeakPolarHBondContact O-CA 2.95Å; Q2173-K2176 WeakPolarHBondContact O-CB 3.3Å; Q2173-K2176 PolarHBondContact O-N 3.13Å; Q2173-D2177 PolarHBondContact NE2-OD1 3.25Å; Q2173-D2177 VanDerWaalsContact O-CG 3.29Å; Q2173-D2177 PolarHBondContact O-N 2.72Å
2174	Y	85.7	Confident	85.6	Confident	144 Å²	144	105.8 Å²	105.8	57%	0.565	50%	0.501	S	S	*	.	H	α-helix	trans	-57.9	-32	176.4	-172.8	-105.4	0	0	0	113	L2170 A2171 D2177 L2178	L2170-Y2174 PolarHBondContact O-N 3.13Å; A2171-Y2174 PolarHBondContact O-N 2.99Å; Y2174-D2177 PolarHBondContact O-N 2.73Å; Y2174-L2178 HydrophobicContact CD1-CD1 3.83Å; Y2174-L2178 HydrophobicContact CD1-CG 4.39Å; Y2174-L2178 HydrophobicContact CE1-CD1 3.53Å; Y2174-L2178 HydrophobicContact CE1-CG 4.07Å; Y2174-L2178 WeakPolarHBondContact O-CB 3.41Å; Y2174-L2178 WeakPolarHBondContact O-CG 3.42Å; Y2174-L2178 PolarHBondContact O-N 3.02Å
2175	L	85.3	Confident	85.6	Confident	118 Å²	118	105.8 Å²	105.8	62%	0.618	50%	0.504	S	S	*	.	H	α-helix	trans	-67.2	-38.4	170.9	-90.1	158.5	0	0	0	113.5	A2171 Q2173 D2179	A2171-L2175 WeakPolarHBondContact O-CB 3.29Å; A2171-L2175 PolarHBondContact O-N 2.75Å; Q2173-L2175 PolarHBondContact O-N 3.4Å; Q2173-L2175 VanDerWaalsContact O-N 3.15Å; L2175-D2179 PolarHBondContact O-N 2.71Å; L2175-D2179 VanDerWaalsContact O-N 3.14Å
2176	K	86.6	Confident	85.3	Confident	118 Å²	118	110.6 Å²	110.6	51%	0.513	52%	0.517	S	S	.	.	H	α-helix	trans	-64.5	-45.2	170.3	-69.7	178.7	178.2	176.5	0	111	K2172 Q2173 L2178 D2179 Q2180	K2172-K2176 PolarHBondContact O-N 3.2Å; Q2173-K2176 WeakPolarHBondContact O-CA 2.95Å; Q2173-K2176 WeakPolarHBondContact O-CB 3.3Å; Q2173-K2176 PolarHBondContact O-N 3.13Å; K2176-L2178 VanDerWaalsContact C-N 3.29Å; K2176-L2178 PolarHBondContact O-N 2.85Å; K2176-D2179 PolarHBondContact O-N 2.82Å; K2176-D2179 VanDerWaalsContact O-N 3.13Å; K2176-Q2180 WeakPolarHBondContact O-CG 3.14Å; K2176-Q2180 PolarHBondContact O-N 3.17Å
2177	D	88.1	Confident	85	Confident	52 Å²	52	115.1 Å²	115.1	28%	0.278	53%	0.53	S	S	.	.	H	α-helix	trans	-65.1	-35.7	-177.8	-56.3	-22.3	0	0	0	111.2	Q2173 Y2174 R2181	Q2173-D2177 PolarHBondContact NE2-OD1 3.25Å; Q2173-D2177 VanDerWaalsContact O-CG 3.29Å; Q2173-D2177 PolarHBondContact O-N 2.72Å; Y2174-D2177 PolarHBondContact O-N 2.73Å; D2177-R2181 VanDerWaalsContact O-CB 3.31Å; D2177-R2181 WeakPolarHBondContact O-CB 3.13Å; D2177-R2181 WeakPolarHBondContact O-CG 3.26Å; D2177-R2181 PolarHBondContact O-N 2.66Å
2178	L	85.2	Confident	84.7	Confident	80 Å²	80	117.1 Å²	117.1	42%	0.419	53%	0.532	S	S	.	.	H	α-helix	trans	-63.7	-43.4	170.7	-86.9	171.8	0	0	0	112.6	Y2174 K2176 R2181 S2182	Y2174-L2178 HydrophobicContact CD1-CD1 3.83Å; Y2174-L2178 HydrophobicContact CD1-CG 4.39Å; Y2174-L2178 HydrophobicContact CE1-CD1 3.53Å; Y2174-L2178 HydrophobicContact CE1-CG 4.07Å; Y2174-L2178 WeakPolarHBondContact O-CB 3.41Å; Y2174-L2178 WeakPolarHBondContact O-CG 3.42Å; Y2174-L2178 PolarHBondContact O-N 3.02Å; K2176-L2178 VanDerWaalsContact C-N 3.29Å; K2176-L2178 PolarHBondContact O-N 2.85Å; L2178-R2181 PolarHBondContact O-N 2.96Å; L2178-S2182 VanDerWaalsContact O-CB 3.29Å; L2178-S2182 WeakPolarHBondContact O-CB 3.27Å; L2178-S2182 PolarHBondContact O-N 2.91Å
2179	D	88.2	Confident	84.4	Confident	92 Å²	92	115.9 Å²	115.9	49%	0.492	53%	0.531	S	S	.	.	H	α-helix	trans	-70.3	-38	177.3	-169.4	61.3	0	0	0	111.9	L2175 K2176 R2181 S2182 N2183	L2175-D2179 PolarHBondContact O-N 2.71Å; L2175-D2179 VanDerWaalsContact O-N 3.14Å; K2176-D2179 PolarHBondContact O-N 2.82Å; K2176-D2179 VanDerWaalsContact O-N 3.13Å; D2179-R2181 PolarHBondContact O-N 2.88Å; D2179-S2182 WeakPolarHBondContact O-CB 3.08Å; D2179-S2182 PolarHBondContact O-N 2.9Å; D2179-N2183 WeakPolarHBondContact O-CB 3.22Å; D2179-N2183 PolarHBondContact O-N 3.49Å; D2179-N2183 PolarHBondContact O-ND2 3.25Å; D2179-N2183 PolarHBondContact OD1-ND2 2.72Å; D2179-N2183 PolarHBondContact OD2-ND2 2.75Å
2180	Q	83.3	Confident	83.6	Confident	134 Å²	134	111.8 Å²	111.8	63%	0.626	53%	0.528	S	S	*	.	H	α-helix	trans	-60.5	-45.1	170	-72.7	-171	5.5	0	0	111.7	K2176 N2183 R2184	K2176-Q2180 WeakPolarHBondContact O-CG 3.14Å; K2176-Q2180 PolarHBondContact O-N 3.17Å; Q2180-N2183 PolarHBondContact O-N 3.27Å; Q2180-R2184 VanDerWaalsContact O-CB 3.25Å; Q2180-R2184 WeakPolarHBondContact O-CB 3.3Å; Q2180-R2184 PolarHBondContact O-N 2.74Å
2181	R	85.5	Confident	82.8	Confident	173 Å²	173	114.3 Å²	114.3	65%	0.653	53%	0.529	S	S	*	.	H	α-helix	trans	-64.1	-38.5	174.9	-75.3	173.6	-178.3	-160.3	0.8	112	D2177 L2178 D2179 T2185	D2177-R2181 VanDerWaalsContact O-CB 3.31Å; D2177-R2181 WeakPolarHBondContact O-CB 3.13Å; D2177-R2181 WeakPolarHBondContact O-CG 3.26Å; D2177-R2181 PolarHBondContact O-N 2.66Å; L2178-R2181 PolarHBondContact O-N 2.96Å; D2179-R2181 PolarHBondContact O-N 2.88Å; R2181-T2185 VanDerWaalsContact O-CB 3.28Å; R2181-T2185 WeakPolarHBondContact O-CB 3.22Å; R2181-T2185 PolarHBondContact O-N 2.83Å; R2181-T2185 PolarHBondContact O-OG1 3.17Å
2182	S	86.5	Confident	81.7	Confident	61 Å²	61	117.5 Å²	117.5	43%	0.427	54%	0.536	S	S	.	.	H	α-helix	trans	-60.7	-50.2	173.6	179.8	0	0	0	0	111.2	L2178 D2179 T2185 R2186	L2178-S2182 VanDerWaalsContact O-CB 3.29Å; L2178-S2182 WeakPolarHBondContact O-CB 3.27Å; L2178-S2182 PolarHBondContact O-N 2.91Å; D2179-S2182 WeakPolarHBondContact O-CB 3.08Å; D2179-S2182 PolarHBondContact O-N 2.9Å; S2182-T2185 PolarHBondContact O-N 2.94Å; S2182-R2186 WeakPolarHBondContact O-CB 3.44Å; S2182-R2186 PolarHBondContact O-N 3.23Å
2183	N	82.7	Confident	80.2	Confident	66 Å²	66	117.2 Å²	117.2	35%	0.353	54%	0.54	S	S	.	.	H	α-helix	trans	-67.7	-37.7	178.6	-74.5	-51.7	0	0	0	112.6	D2179 Q2180 R2186 R2187	D2179-N2183 WeakPolarHBondContact O-CB 3.22Å; D2179-N2183 PolarHBondContact O-N 3.49Å; D2179-N2183 PolarHBondContact O-ND2 3.25Å; D2179-N2183 PolarHBondContact OD1-ND2 2.72Å; D2179-N2183 PolarHBondContact OD2-ND2 2.75Å; Q2180-N2183 PolarHBondContact O-N 3.27Å; N2183-R2186 PolarHBondContact O-N 3.06Å; N2183-R2187 WeakPolarHBondContact O-CB 3.46Å; N2183-R2187 WeakPolarHBondContact O-CG 3.17Å; N2183-R2187 PolarHBondContact O-N 2.91Å
2184	R	81.6	Confident	78.4	Confident	193 Å²	193	119.1 Å²	119.1	73%	0.728	55%	0.552	S	S	*	*	H	α-helix	trans	-65.6	-39.9	173.2	-157.9	171.5	-169.2	170.1	2.1	111	Q2180 R2187 L2188	Q2180-R2184 VanDerWaalsContact O-CB 3.25Å; Q2180-R2184 WeakPolarHBondContact O-CB 3.3Å; Q2180-R2184 PolarHBondContact O-N 2.74Å; R2184-R2187 PolarHBondContact O-N 3.46Å; R2184-L2188 WeakPolarHBondContact O-CB 3.34Å; R2184-L2188 WeakPolarHBondContact O-CG 3.29Å; R2184-L2188 PolarHBondContact O-N 3.41Å
2185	T	84.7	Confident	76.5	Confident	75 Å²	75	117.8 Å²	117.8	46%	0.46	55%	0.551	S	S	.	*	H	α-helix	trans	-66.6	-39	173.1	-54.8	0	0	0	0	112	R2181 S2182 L2188 K2189	R2181-T2185 VanDerWaalsContact O-CB 3.28Å; R2181-T2185 WeakPolarHBondContact O-CB 3.22Å; R2181-T2185 PolarHBondContact O-N 2.83Å; R2181-T2185 PolarHBondContact O-OG1 3.17Å; S2182-T2185 PolarHBondContact O-N 2.94Å; T2185-L2188 PolarHBondContact O-N 3.48Å; T2185-K2189 PolarHBondContact O-N 3.37Å
2186	R	80.6	Confident	74.6	Confident	183 Å²	183	117.4 Å²	117.4	69%	0.691	55%	0.554	S	S	*	*	H	α-helix	trans	-65.6	-40.8	174.4	-173.7	-177.8	-76.4	-152	-0.1	111.3	S2182 N2183 K2189 A2190	S2182-R2186 WeakPolarHBondContact O-CB 3.44Å; S2182-R2186 PolarHBondContact O-N 3.23Å; N2183-R2186 PolarHBondContact O-N 3.06Å; R2186-K2189 PolarHBondContact O-N 2.78Å; R2186-A2190 WeakPolarHBondContact O-CB 3.12Å; R2186-A2190 PolarHBondContact O-N 2.91Å
2187	R	79.4	Confident	72.2	Confident	196 Å²	196	118.5 Å²	118.5	74%	0.74	57%	0.565	S	S	*	*	H	α-helix	trans	-65.1	-41.8	173.4	-74.7	178.5	179.6	-174	-0	112.2	N2183 R2184 A2190 R2191	N2183-R2187 WeakPolarHBondContact O-CB 3.46Å; N2183-R2187 WeakPolarHBondContact O-CG 3.17Å; N2183-R2187 PolarHBondContact O-N 2.91Å; R2184-R2187 PolarHBondContact O-N 3.46Å; R2187-A2190 WeakPolarHBondContact O-CB 3.1Å; R2187-A2190 PolarHBondContact O-N 3.29Å; R2187-R2191 PolarHBondContact O-N 3.15Å
2188	L	78.5	Confident	69.5	Low	101 Å²	101	121.3 Å²	121.3	53%	0.529	58%	0.584	S	S	.	*	H	α-helix	trans	-64.9	-42.3	175.3	-74.1	168.6	0	0	0	112	R2184 T2185 A2190 R2191 Q2192	R2184-L2188 WeakPolarHBondContact O-CB 3.34Å; R2184-L2188 WeakPolarHBondContact O-CG 3.29Å; R2184-L2188 PolarHBondContact O-N 3.41Å; T2185-L2188 PolarHBondContact O-N 3.48Å; L2188-A2190 VanDerWaalsContact C-N 3.32Å; L2188-A2190 PolarHBondContact O-N 2.96Å; L2188-R2191 PolarHBondContact O-N 2.78Å; L2188-Q2192 WeakPolarHBondContact O-CG 3.29Å; L2188-Q2192 PolarHBondContact O-N 3.45Å
2189	K	76.8	Confident	66.8	Low	133 Å²	133	122.5 Å²	122.5	58%	0.578	60%	0.598	S	S	*	*	H	α-helix	trans	-66.6	-31.4	172	-74.6	-167.1	172.8	-167.1	0	113.4	T2185 R2186 N2193	T2185-K2189 PolarHBondContact O-N 3.37Å; R2186-K2189 PolarHBondContact O-N 2.78Å; K2189-N2193 VanDerWaalsContact O-CB 3.24Å; K2189-N2193 WeakPolarHBondContact O-CB 2.98Å; K2189-N2193 PolarHBondContact O-N 2.82Å; K2189-N2193 PolarHBondContact O-OD1 2.69Å
2190	A	70.4	Confident	64.2	Low	60 Å²	60	124.1 Å²	124.1	50%	0.496	62%	0.617	S	S	.	*	H	α-helix	trans	-68.1	-37.1	172.6	0	0	0	0	0	112	R2186 R2187 L2188 L2194	R2186-A2190 WeakPolarHBondContact O-CB 3.12Å; R2186-A2190 PolarHBondContact O-N 2.91Å; R2187-A2190 WeakPolarHBondContact O-CB 3.1Å; R2187-A2190 PolarHBondContact O-N 3.29Å; L2188-A2190 VanDerWaalsContact C-N 3.32Å; L2188-A2190 PolarHBondContact O-N 2.96Å; A2190-L2194 PolarHBondContact O-N 2.58Å
2191	R	72.7	Confident	61.8	Low	174 Å²	174	122.6 Å²	122.6	66%	0.657	62%	0.621	S	S	*	*	H	α-helix	trans	-69.2	-47.9	172.5	-77.5	-170.8	171.2	-170.6	-5.6	112.7	R2187 L2188 N2193 L2194 E2195	R2187-R2191 PolarHBondContact O-N 3.15Å; L2188-R2191 PolarHBondContact O-N 2.78Å; R2191-N2193 VanDerWaalsContact C-N 3.29Å; R2191-N2193 PolarHBondContact O-N 2.86Å; R2191-L2194 CarbonylContact O-C 2.92Å; R2191-L2194 WeakPolarHBondContact O-CA 3.1Å; R2191-L2194 VanDerWaalsContact O-CB 3.25Å; R2191-L2194 WeakPolarHBondContact O-CB 3.32Å; R2191-L2194 PolarHBondContact O-N 3Å; R2191-E2195 WeakPolarHBondContact O-CG 3.39Å; R2191-E2195 PolarHBondContact O-N 2.72Å
2192	Q	62.1	Low	59.1	Low	116 Å²	116	122.4 Å²	122.4	54%	0.542	63%	0.633	S	S	.	*	H	α-helix	trans	-59.2	-39.9	175.6	-73.2	-176.2	-38.8	0	0	112.1	L2188 L2194 E2195 T2196	L2188-Q2192 WeakPolarHBondContact O-CG 3.29Å; L2188-Q2192 PolarHBondContact O-N 3.45Å; Q2192-L2194 PolarHBondContact O-N 3.22Å; Q2192-E2195 PolarHBondContact O-N 2.74Å; Q2192-T2196 WeakPolarHBondContact O-CG2 2.99Å; Q2192-T2196 PolarHBondContact O-N 3.02Å; Q2192-T2196 PolarHBondContact O-OG1 2.94Å; Q2192-T2196 VanDerWaalsContact O-OG1 3.08Å
2193	N	54.5	Low	56.5	Low	109 Å²	109	123.9 Å²	123.9	58%	0.583	64%	0.643	S	S	*	*	H	α-helix	trans	-67	-17.5	173.6	-75.3	5.9	0	0	0	113.9	K2189 R2191 T2196 L2197	K2189-N2193 VanDerWaalsContact O-CB 3.24Å; K2189-N2193 WeakPolarHBondContact O-CB 2.98Å; K2189-N2193 PolarHBondContact O-N 2.82Å; K2189-N2193 PolarHBondContact O-OD1 2.69Å; R2191-N2193 VanDerWaalsContact C-N 3.29Å; R2191-N2193 PolarHBondContact O-N 2.86Å; N2193-T2196 WeakPolarHBondContact CA-OG1 3.41Å; N2193-T2196 PolarHBondContact O-OG1 2.65Å; N2193-L2197 WeakPolarHBondContact O-CD1 3.12Å
2194	L	48.5	Very low	54.2	Low	124 Å²	124	127.5 Å²	127.5	65%	0.649	66%	0.663	S	S	*	*	H	α-helix	trans	-88.3	-42	175.4	-155.1	72.2	0	0	0	110.5	A2190 R2191 Q2192 T2196 L2197	A2190-L2194 PolarHBondContact O-N 2.58Å; R2191-L2194 CarbonylContact O-C 2.92Å; R2191-L2194 WeakPolarHBondContact O-CA 3.1Å; R2191-L2194 VanDerWaalsContact O-CB 3.25Å; R2191-L2194 WeakPolarHBondContact O-CB 3.32Å; R2191-L2194 PolarHBondContact O-N 3Å; Q2192-L2194 PolarHBondContact O-N 3.22Å; L2194-T2196 VanDerWaalsContact C-N 3.31Å; L2194-T2196 PolarHBondContact O-N 2.69Å; L2194-L2197 PolarHBondContact O-N 2.88Å; L2194-L2197 VanDerWaalsContact O-N 3.09Å
2195	E	46.3	Very low	51.8	Low	115 Å²	115	123.2 Å²	123.2	54%	0.537	66%	0.663	S	S	.	*	H	α-helix	trans	-64.2	-33	174.1	-69.2	150.9	-168.2	0	0	111.6	R2191 Q2192 L2197 T2198	R2191-E2195 WeakPolarHBondContact O-CG 3.39Å; R2191-E2195 PolarHBondContact O-N 2.72Å; Q2192-E2195 PolarHBondContact O-N 2.74Å; E2195-L2197 PolarHBondContact O-N 3.47Å; E2195-T2198 PolarHBondContact O-OG1 3Å
2196	T	44.8	Very low	49.2	Very low	111 Å²	111	125.9 Å²	125.9	68%	0.681	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	13.1	171.8	59.8	0	0	0	0	114.6	Q2192 N2193 L2194	Q2192-T2196 WeakPolarHBondContact O-CG2 2.99Å; Q2192-T2196 PolarHBondContact O-N 3.02Å; Q2192-T2196 PolarHBondContact O-OG1 2.94Å; Q2192-T2196 VanDerWaalsContact O-OG1 3.08Å; N2193-T2196 WeakPolarHBondContact CA-OG1 3.41Å; N2193-T2196 PolarHBondContact O-OG1 2.65Å; L2194-T2196 VanDerWaalsContact C-N 3.31Å; L2194-T2196 PolarHBondContact O-N 2.69Å
2197	L	37	Very low	46.9	Very low	141 Å²	141	121.8 Å²	121.8	74%	0.738	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.5	6.5	174.9	-73.5	172.5	0	0	0	113.6	N2193 L2194 E2195	N2193-L2197 WeakPolarHBondContact O-CD1 3.12Å; L2194-L2197 PolarHBondContact O-N 2.88Å; L2194-L2197 VanDerWaalsContact O-N 3.09Å; E2195-L2197 PolarHBondContact O-N 3.47Å
2198	T	30.3	Very low	44.7	Very low	111 Å²	111	119.8 Å²	119.8	68%	0.681	68%	0.677	S	S	*	*			trans	-120.5	70.6	177.8	52.8	0	0	0	0	111.2	E2195	E2195-T2198 PolarHBondContact O-OG1 3Å
2199	S	29.1	Very low	42.6	Very low	104 Å²	104	121.1 Å²	121.1	73%	0.727	69%	0.685	S	S	*	*			trans	-159.9	114.4	173	-77	0	0	0	0	111.5
2200	S	32.2	Very low	40.5	Very low	126 Å²	126	120.1 Å²	120.1	88%	0.881	69%	0.694	S	S	*	*			trans	61.7	147.7	-174.8	77	0	0	0	0	114.6
2201	S	32.9	Very low	38.7	Very low	102 Å²	102	126.7 Å²	126.7	71%	0.713	71%	0.706	S	S	*	*			cis	-147.9	154	6.1	54.6	0	0	0	0	111.6
2202	N	30.7	Very low	36.8	Very low	169 Å²	169	125 Å²	125	90%	0.904	71%	0.705	S	S	*	*			trans	-147.1	141.5	141.7	-126.1	8.8	0	0	0	109.6
2203	S	31.6	Very low	35.4	Very low	92 Å²	92	126 Å²	126	64%	0.643	71%	0.713	S	S	*	*			trans	-155.3	152	178.8	60.5	0	0	0	0	109.3
2204	N	34.1	Very low	34.5	Very low	143 Å²	143	127.3 Å²	127.3	77%	0.765	72%	0.719	S	S	*	*				171.6	163.9	123.6	-84.4	-5.5	0	0	0	113.8
2205	S	31.5	Very low	33.7	Very low	103 Å²	103	128.6 Å²	128.6	72%	0.72	73%	0.726	S	S	*	*			trans	64	91.9	158.1	45.2	0	0	0	0	120
2206	T	30.3	Very low	33	Very low	131 Å²	131	132.4 Å²	132.4	80%	0.804	74%	0.744	S	S	*	*				32.9	130.4	96.5	-33.1	0	0	0	0	116.3
2207	S	31.6	Very low	33	Very low	97 Å²	97	133 Å²	133	68%	0.678	75%	0.75	S	S	*	*				-162.3	150.9	54.4	-160	0	0	0	0	117.2
2208	Q	33.8	Very low	33.3	Very low	154 Å²	154	131.7 Å²	131.7	72%	0.72	75%	0.75	S	S	*	*			trans	-6.9	152.3	148.1	-62	-176.8	-23	0	0	119.8
2209	N	34	Very low	33.3	Very low	129 Å²	129	137 Å²	137	69%	0.69	76%	0.759	S	S	*	*			cis	-173.2	161.9	-1.5	-94.3	-6.4	0	0	0	107.4
2210	C	31.7	Very low	33.4	Very low	112 Å²	112	135.7 Å²	135.7	76%	0.757	75%	0.754	S	S	*	*			cis	-144.4	-104.5	-23.2	-89	0	0	0	0	108.4
2211	R	33	Very low	33.5	Very low	198 Å²	198	135.4 Å²	135.4	75%	0.747	75%	0.748	S	S	*	*			cis	-167.3	145	-9.6	-163.3	-146.2	178.2	-153.4	5.4	110.3
2212	Q	33.7	Very low	33.5	Very low	137 Å²	137	136.8 Å²	136.8	64%	0.64	75%	0.747	S	S	*	*			trans	69.4	141.6	173.9	-66.9	-179.5	-79.1	0	0	115.4
2213	L	32.9	Very low	33.5	Very low	137 Å²	137	135.3 Å²	135.3	72%	0.717	74%	0.739	S	S	*	*			cis	-156.4	168	2.8	-124.7	170.9	0	0	0	111.9
2214	I	34.4	Very low	33.6	Very low	138 Å²	138	138.9 Å²	138.9	71%	0.708	75%	0.749	S	S	*	*			trans	92.1	103.5	160.7	-65.3	160	0	0	0	119.5
2215	D	32.3	Very low	33.5	Very low	150 Å²	150	135.7 Å²	135.7	80%	0.802	74%	0.743	S	S	*	*			trans	74.9	157.9	138	-56.5	3.6	0	0	0	124.6
2216	E	31.7	Very low	33.6	Very low	196 Å²	196	141.3 Å²	141.3	92%	0.916	75%	0.75	S	S	*	*			trans	-121.7	142	-155.6	-70.2	-163	140.4	0	0	116.7
2217	P	44.1	Very low	33.7	Very low	122 Å²	122	145.5 Å²	145.5	79%	0.792	78%	0.776	S	S	*	*			trans	-114.8	159.3	172.1	39.8	-32	0	0	0	116.1
2218	P	43.4	Very low	33.8	Very low	114 Å²	114	148 Å²	148	74%	0.74	78%	0.78	S	S	*	*			trans	-133.9	172.3	-162.7	44.1	-27.7	0	0	0	120
2219	Y	30.8	Very low	33.8	Very low	222 Å²	222	147.6 Å²	147.6	87%	0.871	78%	0.784	S	S	*	*			trans	54.8	91.1	156.2	-72.2	-65.4	0	0	0	124.5
2220	A	31.9	Very low	33.8	Very low	77 Å²	77	148.7 Å²	148.7	64%	0.636	79%	0.789	S	S	*	*				82.3	133.3	104.5	0	0	0	0	0	126.4
2221	T	32.8	Very low	33.9	Very low	120 Å²	120	150.8 Å²	150.8	74%	0.736	79%	0.791	S	S	*	*			trans	82.8	110.1	139.2	45	0	0	0	0	124.7
2222	N	33.9	Very low	33.9	Very low	132 Å²	132	147.9 Å²	147.9	71%	0.706	79%	0.793	S	S	*	*				79.4	113.3	123.7	-65.6	21	0	0	0	124.8
2223	D	29.1	Very low	34	Very low	137 Å²	137	148.6 Å²	148.6	73%	0.733	80%	0.804	S	S	*	*				83	147.3	123.9	-70.4	-36.7	0	0	0	124.2
2224	I	34.1	Very low	34	Very low	167 Å²	167	149.4 Å²	149.4	86%	0.856	81%	0.81	S	S	*	*			trans	60.6	119	168.2	-11.3	-177.8	0	0	0	115.9
2225	A	31.6	Very low	34	Very low	76 Å²	76	150.3 Å²	150.3	63%	0.628	82%	0.818	S	S	*	*				-176.9	170.7	52.7	0	0	0	0	0	114.4
2226	Y	34.2	Very low	34.1	Very low	222 Å²	222	150.3 Å²	150.3	87%	0.871	82%	0.819	S	S	*	*			trans	53.4	84.8	160.5	-68.9	-71.7	0	0	0	120.5
2227	T	32.3	Very low	34.4	Very low	219 Å²	219	146.2 Å²	146.2	100%	1.344	81%	0.81	S	S	*	*				-158.7	0	97.4	10.2	0	0	0	0	112

Retrieved 2,227 of 2,227 residues in 449.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).