A0A5K4FB19_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FB19, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,040 aa.

						>A0A5K4FB19_SCHMA|A0A5K4FB19
MEAEYGEVGEGVFEGETEAESAVEVFGETLGQVEADAESEVVEQVESERVSVFAPVELESEALAETAAQPERERLVERVGEMEAEYGEVGEGVFEGETEAESAVEVFGETLGQVEADAESEVVEQVESERVSVFAPVELDSEALAETAAQPERERLVERVGEMEAEYGEVGEGVFEGETEAESAVEVFGETLGQVEADAESEVVEQVESERVSVFAPVELESEALAETAAQPERERLVERVGEMEAEYGEVGEGVFEGETEAESAVEVFGETLGQVEADAESEVVEQVESERVSVFAPVELDSEALAETAAQPERERLVERVGEMEAEYGEVGEGVFEGETEAESAVEVFGETLGQVEADAESEVVEQVESERVSVFAPVELDSEALAETAAQPERERLVERVGEMEAEYGEVGEGVFEGETEAESAVEVFGETLGQVEADAESEVVEQVESERVSVFAPVELESEALAETAAQPERERLVERVGEMEAEYGEVGEGVFEGETEAESAVEVFGETLGQVEADAESEVVEQVESERVSVFAPVELESEALAETAAQPERERLVERVGEMEAEYGEVGEGVFEGETEAESAVEVFGETLGQVEADAESEVVEQVESERVSVFAPVELESEALAETAAQPERERLLEHVCHVIGDTFSGDSSGNVISSDFTSPSDVLVLNPSSSFSISDSSTSCICADSSDVFSDVSVFHSVFSCPSAISVTSSYSEPFVSPASSSTVTFCHGFSSTPVVSFVHSKLSNDISFSSSSSRFVHAGVSDFTRMPLDSVSLFDSNNSALVSEGLFLGLSQFVSRSTESFSEIPGFVIEDSVIAVDAPDVCFTTYSGENLGEFSDCQQAGLSSVHDVSTESVPFFIPEPSVLAVSGYEYKSLDELGSSNRLPSIVQDTANVVGLDDIQEVSEEGVMGKDSLITDDRIFSQTSGSHLIDHFTFQRDTEYSISDYSNSLISDSFAEMIIKEPNDDTEILYSSKDQDVLSYQLESGVSLITETPTKSDVVGKSPSSGKADLTYLAAASGASVAMEFTEEEEEEEEYSMVCPGRMKTTEHGDSSQLVHSALDRSAKMLTRLQTYGFRGNLMGTNSLVNLNWHASETKLTTPHKEFFENDERTISTAHRNIPTSNIQMNKVIELDCEEFEDFDGDSLEEFNMPFEIGNTYNTSREIIADETECGSTRPSSIPEIVATNQVFNYDNQLKSDIECQPDSFTKEEISRCQHLDLEHVISSLSSSTKKVSSSPDHELQTSSTADESSLSSHSTVVNVGIMNQPPVVPQLIRRNLKDKKLPSQSLSSQGHDFGVDAPDSIQLLESRTTLASIESDLDLLDEEIKLKDDNVMLPPGQSLVHVSSIPKRKQLNFISSLLGSEPVVGSTVLRTSADVSNIPVSRPIYTTEGHINTTQRYFHEPIEGYVSFPQISKGSCDKQLEFSNDRAKSSPSSINLEKRIKTSDENVTSSSLCEFERLEKELGASNSTSPSSGHKGSGEDVSSHTSSLSEYLRHEKECESFDESLALPFDSKLKLKFNDLIDINGKPKTAITEMLTSNNLTPLYGKISTIYEDVAEHHIRSLSQSIESPTTSLHSAKDDDQISFTYASQKDENKSQTGCSDSELLIICSKMLSDPLQVEKSKGSLTSSSEIEPLLDRVDDPLTGVEETDSLIFSSIYDSLVPSGYENSIYSGTPNMNFGVNDNWRDPMSRRIDSLDESEHEQPSKVTDSLCSPSSSDISNRKGENKLSSLGENDQGITEFNSAHIDILHQQYIGTIVEEQSCTVFPNKPYFNERDSLITYGKQPQSTHSDEKQDSITSVSGVVQYEHLDKPVPGSCMTDSLDDSSSVIEQISAKISSTEYSVSTKMVTIRIPSCSFSTAQIPLLATESKARMYSEVIKTLKSDVSSTVPTTSGEITLPMSSSSLQSSYQGGEKCGRILKIDLNPESPLFDTSEDEICVEKPSDDLQQLNSLTADDVSAVTGDPKTKETLKMDNVLSVEVSEACKQIESIELKESFIVETSSDLDYEMISITEREKSPKAPISEKTEEV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	39.8	Very low	39.5	Very low	136 Å²	136	101.2 Å²	101.2	67%	0.67	57%	0.565	S	S	*	*				0	127.4	0	-177.5	170	-90.3	0	0	108.7	V617 S1914 S1915	M1-V617 HydrophobicContact SD-CG2 4.45Å; M1-S1914 WeakPolarHBondContact O-CA 2.99Å; M1-S1915 PolarHBondContact N-OG 3.44Å; M1-S1915 PolarHBondContact O-N 3.22Å; M1-S1915 PolarHBondContact O-OG 2.93Å
2	E	37.4	Very low	39.3	Very low	10 Å²	10	101.7 Å²	101.7	5%	0.047	57%	0.572	C	S	.	*				-142.5	173.2	-127.4	-157.2	177.2	145.4	0	0	110.6	E83 A84 C647 H648 S1913	E2-E83 VanDerWaalsContact CD-O 3.25Å; E2-A84 PolarHBondContact OE1-N 3.17Å; E2-A84 VanDerWaalsContact OE2-C 3.27Å; E2-A84 WeakPolarHBondContact OE2-CA 3.46Å; E2-A84 PolarHBondContact OE2-N 2.99Å; E2-C647 HydrophobicContact CG-CB 4.42Å; E2-C647 WeakPolarHBondContact OE1-CB 3.38Å; E2-C647 PolarHBondContact OE1-SG 3.27Å; E2-H648 VanDerWaalsContact CD-CG 3.5Å; E2-H648 HydrophobicContact CG-CB 3.97Å; E2-H648 WeakPolarHBondContact OE1-CB 3.18Å; E2-H648 IonicContact OE1-CE1 3.55Å; E2-H648 IonicContact OE1-CG 3.31Å; E2-H648 VanDerWaalsContact OE1-CG 3.31Å; E2-H648 IonicContact OE1-ND1 2.77Å; E2-H648 PolarHBondContact OE1-ND1 3.33Å; E2-H648 IonicContact OE2-CE1 3.02Å; E2-H648 PolarHBondContact OE2-CE1 2.73Å; E2-H648 IonicContact OE2-CG 3.97Å; E2-H648 IonicContact OE2-ND1 3.15Å; E2-H648 PolarHBondContact OE2-ND1 2.82Å; E2-H648 VanDerWaalsContact OE2-ND1 3.15Å; E2-H648 IonicContact OE2-NE2 3.81Å; E2-S1913 WeakPolarHBondContact O-CB 3.16Å; E2-S1913 PolarHBondContact O-OG 2.89Å; E2-S1913 VanDerWaalsContact O-OG 3.14Å
3	A	39.7	Very low	38.9	Very low	14 Å²	14	106.5 Å²	106.5	12%	0.116	58%	0.583	C	S	.	*			trans	59.8	-179.8	173.3	0	0	0	0	0	118.9	H648 V649 S1913	A3-H648 VanDerWaalsContact CB-C 3.48Å; A3-H648 HydrophobicContact CB-CB 3.77Å; A3-H648 WeakPolarHBondContact CB-O 3.26Å; A3-V649 HydrophobicContact CB-CB 3.66Å; A3-V649 HydrophobicContact CB-CG1 4.34Å; A3-V649 HydrophobicContact CB-CG2 4.26Å; A3-S1913 WeakPolarHBondContact O-CB 3.35Å; A3-S1913 PolarHBondContact O-OG 3.35Å
4	E	41	Very low	39.1	Very low	76 Å²	76	111.5 Å²	111.5	36%	0.355	60%	0.601	S	S	.	*			cis	-179.9	155.8	-49.4	-150.4	-177.9	-165.6	0	0	106.1	V646 C647 H648	E4-V646 WeakPolarHBondContact OE1-CG1 3.46Å; E4-C647 VanDerWaalsContact CD-C 3.4Å; E4-C647 WeakPolarHBondContact CG-O 3.18Å; E4-H648 PolarHBondContact OE2-N 3.35Å
5	Y	42.6	Very low	39.1	Very low	206 Å²	206	108.7 Å²	108.7	81%	0.808	61%	0.609	S	S	*	*			trans	56.9	152.6	166.7	-73.6	-68.7	0	0	0	122.5
6	G	42.1	Very low	38.9	Very low	67 Å²	67	112.3 Å²	112.3	69%	0.691	62%	0.619	S	S	*	*			trans	84	88.6	172.6	0	0	0	0	0	113.3
7	E	38.9	Very low	38.4	Very low	191 Å²	191	111.9 Å²	111.9	89%	0.893	62%	0.621	S	S	*	*				67.1	154.4	55.5	-143.9	-167.4	-166.1	0	0	113.9
8	V	42.2	Very low	38.2	Very low	144 Å²	144	115.7 Å²	115.7	87%	0.873	63%	0.633	S	S	*	*			trans	71	121.1	-163.9	-167.7	0	0	0	0	113.1
9	G	40.2	Very low	38	Very low	64 Å²	64	114.4 Å²	114.4	66%	0.66	64%	0.64	S	S	*	*			cis	152.4	-170.5	-0.6	0	0	0	0	0	112.8
10	E	34.5	Very low	37.9	Very low	179 Å²	179	117.6 Å²	117.6	84%	0.836	65%	0.649	S	S	*	*			trans	-27.4	146.7	169	-50.4	-174.5	124.3	0	0	115.7
11	G	35.6	Very low	37.9	Very low	26 Å²	26	116.9 Å²	116.9	27%	0.268	65%	0.653	S	S	.	*				141.5	-169.3	50.9	0	0	0	0	0	110.3	E628	G11-E628 VanDerWaalsContact C-CD 3.45Å; G11-E628 VanDerWaalsContact CA-CG 3.43Å; G11-E628 WeakPolarHBondContact O-CG 3.4Å
12	V	38.1	Very low	37.5	Very low	107 Å²	107	114.8 Å²	114.8	65%	0.648	66%	0.657	S	S	*	*			trans	95.9	65.2	163.7	-157.3	0	0	0	0	119.1	E628	V12-E628 VanDerWaalsContact C-CD 3.41Å; V12-E628 VanDerWaalsContact C-OE2 3.23Å; V12-E628 PolarHBondContact N-OE2 3.12Å
13	F	33.9	Very low	37.6	Very low	164 Å²	164	120.5 Å²	120.5	72%	0.719	69%	0.692	S	S	*	*			trans	80.1	171.3	133.3	-56.2	177.1	0	0	0	114.5	E628	F13-E628 VanDerWaalsContact N-CD 3.33Å; F13-E628 PolarHBondContact N-OE1 2.84Å; F13-E628 PolarHBondContact N-OE2 2.85Å
14	E	41.4	Very low	37.4	Very low	177 Å²	177	127.5 Å²	127.5	83%	0.827	72%	0.723	S	S	*	*			cis	-129.6	153.5	19	-62.2	179	142.3	0	0	109.9
15	G	38.5	Very low	37.1	Very low	70 Å²	70	129.4 Å²	129.4	72%	0.722	74%	0.739	S	S	*	*				88.1	151	64	0	0	0	0	0	110
16	E	37.3	Very low	36.7	Very low	166 Å²	166	127.9 Å²	127.9	78%	0.776	74%	0.737	S	S	*	*			cis	-141.4	124.9	11.7	-73.9	-162.4	107.9	0	0	109
17	T	30.3	Very low	36.8	Very low	106 Å²	106	127.6 Å²	127.6	65%	0.65	73%	0.734	S	S	*	*				79.1	173	88.6	83.2	0	0	0	0	115.5
18	E	33.4	Very low	36.8	Very low	179 Å²	179	125.8 Å²	125.8	84%	0.836	73%	0.726	S	S	*	*			trans	56.4	103	165	-66.6	-171.9	176.7	0	0	118.7
19	A	34.9	Very low	36.4	Very low	92 Å²	92	124.2 Å²	124.2	76%	0.76	72%	0.717	S	S	*	*				97.5	162.5	95.1	0	0	0	0	0	112.1
20	E	37.1	Very low	36.2	Very low	177 Å²	177	128.5 Å²	128.5	83%	0.827	72%	0.724	S	S	*	*			cis	-136	140.9	16.3	-58.3	-179.1	109.6	0	0	114.7
21	S	36.4	Very low	36.7	Very low	104 Å²	104	123 Å²	123	73%	0.727	72%	0.715	S	S	*	*			trans	70.2	119.5	133.7	73.4	0	0	0	0	123.2
22	A	32.9	Very low	36.5	Very low	92 Å²	92	129.7 Å²	129.7	76%	0.76	74%	0.739	S	S	*	*			trans	70.7	151.6	130.2	0	0	0	0	0	121.2
23	V	38.5	Very low	36.5	Very low	129 Å²	129	129.5 Å²	129.5	78%	0.782	74%	0.738	S	S	*	*			trans	72.2	118.1	-177.1	-173.6	0	0	0	0	112.5
24	E	35.9	Very low	36.4	Very low	162 Å²	162	129.5 Å²	129.5	76%	0.757	74%	0.74	S	S	*	*			cis	-144.5	131.3	-7.6	-109	169.3	154	0	0	106.5
25	V	33.5	Very low	35.9	Very low	116 Å²	116	124.6 Å²	124.6	70%	0.703	73%	0.73	S	S	*	*				69.4	101.8	84.7	176.5	0	0	0	0	113.2
26	F	35.4	Very low	36.2	Very low	173 Å²	173	128.9 Å²	128.9	76%	0.759	74%	0.736	S	S	*	*			trans	66.2	160.4	177	-69.1	-119.9	0	0	0	114.1	E28	F26-E28 HydrophobicContact CD1-CG 4.21Å
27	G	44.1	Very low	36.1	Very low	62 Å²	62	125.5 Å²	125.5	64%	0.639	74%	0.737	S	S	*	*			cis	-110.3	172.8	-2.9	0	0	0	0	0	113
28	E	38.1	Very low	36.1	Very low	153 Å²	153	129.3 Å²	129.3	72%	0.715	75%	0.747	S	S	*	*				64	129.9	52.3	-57.7	-174.2	149.2	0	0	112.2	F26	F26-E28 HydrophobicContact CD1-CG 4.21Å
29	T	35.7	Very low	36.4	Very low	110 Å²	110	126.4 Å²	126.4	68%	0.675	75%	0.747	S	S	*	*			cis	-173.5	-166.5	-7.7	27.1	0	0	0	0	107.1
30	L	35.3	Very low	36.4	Very low	154 Å²	154	130.6 Å²	130.6	81%	0.806	75%	0.751	S	S	*	*			trans	18.9	126.3	132.2	-59.5	159.7	0	0	0	116.6
31	G	45.4	Very low	36.1	Very low	63 Å²	63	128.1 Å²	128.1	65%	0.649	75%	0.747	S	S	*	*			cis	-168.5	-169.8	9.9	0	0	0	0	0	110.3
32	Q	31.3	Very low	36.2	Very low	168 Å²	168	129.4 Å²	129.4	79%	0.785	75%	0.75	S	S	*	*			cis	54.2	130.2	42.7	-118	-158.7	-9.2	0	0	112.5
33	V	36.4	Very low	36.2	Very low	103 Å²	103	132.5 Å²	132.5	62%	0.624	75%	0.749	S	S	*	*			trans	55.6	115.6	141.5	172.8	0	0	0	0	116.2
34	E	32.4	Very low	36.1	Very low	164 Å²	164	134 Å²	134	77%	0.766	75%	0.747	S	S	*	*			cis	-175.4	171.6	3.7	-127.4	155.9	-142.7	0	0	108.1
35	A	31.4	Very low	36	Very low	73 Å²	73	131 Å²	131	60%	0.603	74%	0.74	S	S	*	*			trans	23.3	143.6	135.1	0	0	0	0	0	122.9
36	D	45.5	Very low	35.9	Very low	161 Å²	161	134 Å²	134	86%	0.861	75%	0.746	S	S	*	*			trans	65.9	82.7	134.5	-59.6	-4.4	0	0	0	120.7
37	A	33.6	Very low	35.8	Very low	95 Å²	95	129.9 Å²	129.9	79%	0.785	74%	0.739	S	S	*	*			trans	-152.5	144.6	152.8	0	0	0	0	0	111.3
38	E	31.7	Very low	35.3	Very low	185 Å²	185	133.6 Å²	133.6	86%	0.864	74%	0.74	S	S	*	*			cis	-164.2	153.8	-11.4	-118.9	-176.9	-171.5	0	0	108.9
39	S	38.8	Very low	35.2	Very low	119 Å²	119	135.1 Å²	135.1	83%	0.832	74%	0.739	S	S	*	*			trans	116.3	133.9	173.8	68.5	0	0	0	0	113.6
40	E	35.2	Very low	34.9	Very low	180 Å²	180	135.4 Å²	135.4	84%	0.841	74%	0.741	S	S	*	*	S	Bend	cis	-148.5	153.6	4.6	-127.4	-168.6	155.2	0	0	106.7
41	V	31.6	Very low	34.5	Very low	124 Å²	124	132.9 Å²	132.9	75%	0.752	74%	0.736	S	S	*	*			cis	-144.5	160.3	17.1	-170.6	0	0	0	0	110
42	V	36.6	Very low	33.6	Very low	131 Å²	131	135.6 Å²	135.6	79%	0.794	74%	0.74	S	S	*	*			trans	-79.2	164.1	176.8	-177.3	0	0	0	0	113.4
43	E	33.1	Very low	33.5	Very low	158 Å²	158	136.7 Å²	136.7	74%	0.738	74%	0.742	S	S	*	*			trans	100.2	139.1	148.7	-137.7	-168.7	-121	0	0	118.7
44	Q	36.8	Very low	33.4	Very low	159 Å²	159	136 Å²	136	74%	0.743	75%	0.747	S	S	*	*			trans	73.5	151.6	165.5	-51.1	-173.8	32.5	0	0	116.9
45	V	34.3	Very low	34	Very low	101 Å²	101	133.9 Å²	133.9	61%	0.612	75%	0.748	S	S	*	*			cis	-165.2	147.5	-17.9	130	0	0	0	0	106.5
46	E	32	Very low	34	Very low	177 Å²	177	135.6 Å²	135.6	83%	0.827	75%	0.751	S	S	*	*			trans	63.1	165.4	171.4	-76	164.7	-145	0	0	114.5
47	S	31.7	Very low	33.3	Very low	88 Å²	88	135.8 Å²	135.8	62%	0.615	75%	0.746	S	S	*	*			cis	-165	150.2	-20.2	-106.6	0	0	0	0	110.3
48	E	35.2	Very low	33.5	Very low	140 Å²	140	137.9 Å²	137.9	65%	0.654	74%	0.743	S	S	*	*			trans	64.5	162.6	161	-63.1	-167.6	171.5	0	0	116.3
49	R	34.6	Very low	33.7	Very low	184 Å²	184	137.1 Å²	137.1	69%	0.694	74%	0.74	S	S	*	*			cis	-154.7	142.1	-23.2	-112.5	179.3	-179	125.7	20.6	108.6
50	V	30.2	Very low	33.7	Very low	117 Å²	117	135.7 Å²	135.7	71%	0.709	73%	0.73	S	S	*	*				45.6	89.2	99	-177.8	0	0	0	0	111.8
51	S	26.4	Very low	33.9	Very low	100 Å²	100	136.3 Å²	136.3	70%	0.699	73%	0.733	S	S	*	*				64.9	136.7	73.4	80	0	0	0	0	115.4
52	V	27.1	Very low	34.3	Very low	121 Å²	121	134.6 Å²	134.6	73%	0.733	73%	0.731	S	S	*	*			trans	169.5	123	138.4	147.6	0	0	0	0	112.7
53	F	28.5	Very low	34.7	Very low	190 Å²	190	136.9 Å²	136.9	83%	0.833	74%	0.738	S	S	*	*			trans	38.5	117.4	148.1	-64.9	-114.5	0	0	0	122.6
54	A	34.2	Very low	35.2	Very low	88 Å²	88	133.2 Å²	133.2	73%	0.727	74%	0.735	S	S	*	*				26.5	166.2	104.2	0	0	0	0	0	121.6
55	P	44.7	Very low	35.5	Very low	120 Å²	120	133 Å²	133	78%	0.779	73%	0.734	S	S	*	*			cis	-135.9	-152.2	-10.2	23.1	5.6	0	0	0	113.7
56	V	31.9	Very low	36.2	Very low	110 Å²	110	134.6 Å²	134.6	67%	0.667	74%	0.744	S	S	*	*			trans	106.3	109.4	145.4	172.4	0	0	0	0	122.7
57	E	30.7	Very low	36.9	Very low	164 Å²	164	131.2 Å²	131.2	77%	0.766	75%	0.746	S	S	*	*				66.4	130.8	127.7	-64.4	171.9	-179.1	0	0	129.1
58	L	37.7	Very low	37.5	Very low	139 Å²	139	131.9 Å²	131.9	73%	0.728	76%	0.757	S	S	*	*			trans	88.3	144.6	131.2	-69	165.9	0	0	0	128.6
59	E	36.1	Very low	37.8	Very low	170 Å²	170	130.8 Å²	130.8	79%	0.794	75%	0.752	S	S	*	*			trans	74.7	152.1	154.7	-70.3	148.6	-134.4	0	0	123.3
60	S	39.9	Very low	38.3	Very low	88 Å²	88	124.5 Å²	124.5	62%	0.615	74%	0.736	S	S	*	*			cis	-180	135.6	-18.3	57.8	0	0	0	0	118.8
61	E	37.7	Very low	38.9	Very low	193 Å²	193	123.7 Å²	123.7	90%	0.902	72%	0.724	S	S	*	*			trans	59.7	163.4	148	-65.2	146	-118.3	0	0	126.4
62	A	41.4	Very low	39.6	Very low	88 Å²	88	126.1 Å²	126.1	73%	0.727	72%	0.718	S	S	*	*			cis	-179.9	157.7	-41.9	0	0	0	0	0	118.4
63	L	45.4	Very low	40.2	Very low	179 Å²	179	125.2 Å²	125.2	94%	0.937	71%	0.706	S	S	*	*			trans	95.2	124	152	-59.4	178.8	0	0	0	129.7
64	A	43.3	Very low	40.8	Very low	82 Å²	82	126 Å²	126	68%	0.678	70%	0.703	S	S	*	*			trans	131.9	111	132.7	0	0	0	0	0	126.6
65	E	43	Very low	41	Very low	155 Å²	155	129.5 Å²	129.5	72%	0.724	71%	0.709	S	S	*	*			trans	62.5	0	153.5	-71.1	75.2	97.3	0	0	127.7
66	T	48	Very low	40.9	Very low	133 Å²	133	129.6 Å²	129.6	82%	0.816	71%	0.707	S	S	*	*				0	0	0	42.6	0	0	0	0	113
67	A	47.2	Very low	41.3	Very low	106 Å²	106	129.8 Å²	129.8	88%	0.876	70%	0.7	S	S	*	*				0	0	0	0	0	0	0	0	111.2
68	A	43.4	Very low	42.1	Very low	102 Å²	102	131.9 Å²	131.9	84%	0.843	70%	0.701	S	S	*	*				0	0	0	0	0	0	0	0	111.5
69	Q	41.8	Very low	42.3	Very low	117 Å²	117	131 Å²	131	55%	0.547	70%	0.701	S	S	.	*				0	0	0	176.5	173.4	-0.5	0	0	115.4	I821 E822	Q69-I821 HydrophobicContact CG-CD1 4.08Å; Q69-I821 HydrophobicContact CG-CG1 4.46Å; Q69-E822 WeakPolarHBondContact CG-O 3.29Å; Q69-E822 PolarHBondContact NE2-O 3.02Å
70	P	44.8	Very low	42.7	Very low	53 Å²	53	125.7 Å²	125.7	34%	0.344	69%	0.692	S	S	.	*				0	-158.8	0	45.6	-30.9	0	0	0	124.2	I821 E822 D823	P70-I821 WeakPolarHBondContact O-CG1 3.4Å; P70-E822 CarbonylContact O-C 3.57Å; P70-E822 PolarHBondContact O-N 3.32Å; P70-E822 VanDerWaalsContact O-O 3.14Å; P70-D823 VanDerWaalsContact CD-OD1 3.28Å; P70-D823 WeakPolarHBondContact CD-OD1 3.1Å; P70-D823 WeakPolarHBondContact CD-OD2 3.26Å; P70-D823 HydrophobicContact CG-CB 4.42Å; P70-D823 WeakPolarHBondContact CG-OD1 3.38Å
71	E	43.5	Very low	42.8	Very low	100 Å²	100	127.3 Å²	127.3	47%	0.467	69%	0.69	S	S	.	*			trans	-156	0	-169.6	-149.7	166	70.8	0	0	121.1	V820	E71-V820 VanDerWaalsContact OE2-CA 3.3Å; E71-V820 WeakPolarHBondContact OE2-CA 3.43Å
72	R	41.1	Very low	43	Very low	150 Å²	150	123.2 Å²	123.2	57%	0.566	67%	0.673	S	S	*	*				0	-151.4	0	-158.9	72.6	-46.8	87.6	10.1	123.8	E822	R72-E822 HydrophobicContact CB-CG 4.27Å; R72-E822 WeakPolarHBondContact CB-OE1 3.05Å; R72-E822 WeakPolarHBondContact CD-OE1 3.26Å; R72-E822 WeakPolarHBondContact CG-OE1 3.27Å; R72-E822 IonicContact CZ-OE1 3.54Å; R72-E822 IonicContact NE-OE1 3.85Å; R72-E822 IonicContact NH1-OE1 2.7Å; R72-E822 PolarHBondContact NH1-OE1 3.5Å; R72-E822 IonicContact NH1-OE2 2.77Å; R72-E822 PolarHBondContact NH1-OE2 2.71Å
73	E	40.1	Very low	42.9	Very low	103 Å²	103	123.8 Å²	123.8	48%	0.481	66%	0.66	S	S	.	*			trans	-158.3	0	-145.3	-75.9	158.5	70.2	0	0	117.8
74	R	40.5	Very low	42.7	Very low	205 Å²	205	118.5 Å²	118.5	77%	0.774	64%	0.642	S	S	*	*				0	-141	0	-106.2	168.5	176	157.2	-10.7	118.1
75	L	38.5	Very low	42.3	Very low	163 Å²	163	119.8 Å²	119.8	85%	0.853	63%	0.634	S	S	*	*			trans	-149.9	156.9	-157	-121.9	172.3	0	0	0	122
76	V	42.1	Very low	42.2	Very low	121 Å²	121	121.5 Å²	121.5	73%	0.733	64%	0.635	S	S	*	*			trans	67	143.2	149.1	133.8	0	0	0	0	130.3
77	E	41.9	Very low	42	Very low	115 Å²	115	118.1 Å²	118.1	54%	0.537	63%	0.627	S	S	.	*			trans	25.5	124.5	165.8	-77.4	-157.5	116.2	0	0	128.9	K1931	E77-K1931 IonicContact OE2-NZ 2.77Å; E77-K1931 PolarHBondContact OE2-NZ 3.28Å
78	R	46.8	Very low	41.7	Very low	207 Å²	207	121.8 Å²	121.8	78%	0.781	63%	0.626	S	S	*	*			trans	20.7	138.4	134.3	-100.9	-160.6	-83.7	114.5	4.7	121.7
79	V	41.3	Very low	41.4	Very low	120 Å²	120	123.5 Å²	123.5	73%	0.727	63%	0.625	S	S	*	*			cis	-148.8	138	10.6	177.9	0	0	0	0	111.6
80	G	45.2	Very low	41.2	Very low	59 Å²	59	121 Å²	121	61%	0.608	63%	0.632	S	S	*	*			trans	52.6	155.6	141	0	0	0	0	0	124
81	E	42.4	Very low	40.9	Very low	123 Å²	123	128.6 Å²	128.6	58%	0.575	66%	0.662	S	S	*	*			cis	-155.1	-161.1	-1.9	-140.1	62.4	-95.2	0	0	111.6	Q1917	E81-Q1917 WeakPolarHBondContact O-CA 3.36Å; E81-Q1917 WeakPolarHBondContact O-CB 3.28Å; E81-Q1917 WeakPolarHBondContact O-CG 3.03Å; E81-Q1917 PolarHBondContact O-N 2.76Å
82	M	41.1	Very low	40.7	Very low	107 Å²	107	127 Å²	127	53%	0.527	67%	0.672	S	S	.	*			trans	-125.7	160.1	-135.1	-159.1	-179.3	-54.4	0	0	117.3	L1916 Q1917	M82-L1916 WeakPolarHBondContact O-CB 3.39Å; M82-L1916 WeakPolarHBondContact O-CD1 3.42Å; M82-Q1917 VanDerWaalsContact CA-OE1 3.23Å
83	E	40.6	Very low	40.4	Very low	100 Å²	100	125.9 Å²	125.9	47%	0.467	68%	0.682	S	S	.	*			trans	134.4	135.5	162.5	-78	158.1	-158.3	0	0	113.1	E2	E2-E83 VanDerWaalsContact CD-O 3.25Å
84	A	39.4	Very low	39.9	Very low	67 Å²	67	129 Å²	129	55%	0.554	70%	0.695	S	S	*	*			cis	93.7	122.9	1	0	0	0	0	0	123	E2	E2-A84 PolarHBondContact OE1-N 3.17Å; E2-A84 VanDerWaalsContact OE2-C 3.27Å; E2-A84 WeakPolarHBondContact OE2-CA 3.46Å; E2-A84 PolarHBondContact OE2-N 2.99Å
85	E	35.5	Very low	39.5	Very low	110 Å²	110	126.3 Å²	126.3	51%	0.514	69%	0.691	S	S	.	*			trans	-153.2	-172.5	158.7	-78.4	-145.1	93.5	0	0	115.2	H648	E85-H648 PolarHBondContact N-CE1 3.3Å
86	Y	41.6	Very low	39	Very low	191 Å²	191	122.2 Å²	122.2	75%	0.749	69%	0.687	S	S	*	*			trans	-109.3	154.5	-138.5	-65.2	-104.9	0	0	0	121.3	I650	Y86-I650 VanDerWaalsContact O-CD1 3.32Å; Y86-I650 WeakPolarHBondContact O-CD1 3.18Å
87	G	43	Very low	38.5	Very low	62 Å²	62	123.7 Å²	123.7	64%	0.639	69%	0.687	S	S	*	*				74.5	162.3	127.2	0	0	0	0	0	121.1
88	E	40.2	Very low	38	Very low	183 Å²	183	124 Å²	124	86%	0.855	70%	0.697	S	S	*	*			cis	-161.7	-179	-12	-152.4	-151.7	165.2	0	0	110.3
89	V	37.1	Very low	37.5	Very low	137 Å²	137	122.6 Å²	122.6	83%	0.83	70%	0.699	S	S	*	*			trans	82.6	136	167.5	-169.2	0	0	0	0	118.8
90	G	39.6	Very low	37.3	Very low	66 Å²	66	120.7 Å²	120.7	68%	0.68	70%	0.695	S	S	*	*			trans	-167.5	162.2	163.1	0	0	0	0	0	112.5
91	E	38.3	Very low	36.8	Very low	211 Å²	211	126 Å²	126	99%	0.986	71%	0.705	S	S	*	*			trans	-172.4	172.2	162.9	-118.5	-172.2	-162	0	0	109.2
92	G	37.8	Very low	36.2	Very low	66 Å²	66	125.7 Å²	125.7	68%	0.68	72%	0.716	S	S	*	*			trans	118.6	34.9	151.3	0	0	0	0	0	122.2
93	V	34.7	Very low	35.8	Very low	128 Å²	128	124.2 Å²	124.2	78%	0.776	72%	0.721	S	S	*	*				54.6	109.8	128.7	174.1	0	0	0	0	120.4
94	F	30.5	Very low	35.5	Very low	169 Å²	169	124.4 Å²	124.4	74%	0.741	73%	0.729	S	S	*	*			trans	84.9	143.7	136.8	-87.9	-132.8	0	0	0	123.7
95	E	31.6	Very low	35.3	Very low	148 Å²	148	128 Å²	128	69%	0.692	73%	0.734	S	S	*	*			trans	40.9	90.1	145.6	-65.5	170.8	-171.7	0	0	116.3
96	G	28.6	Very low	35.2	Very low	76 Å²	76	128.4 Å²	128.4	78%	0.784	74%	0.744	S	S	*	*			cis	88.6	-146.9	15.5	0	0	0	0	0	112
97	E	30.4	Very low	34.9	Very low	153 Å²	153	125.5 Å²	125.5	72%	0.715	74%	0.735	S	S	*	*			trans	65	129	176.8	-60.1	-153.4	127.6	0	0	118.4
98	T	32	Very low	34.5	Very low	122 Å²	122	126.3 Å²	126.3	75%	0.748	74%	0.743	S	S	*	*			trans	68.2	131.4	141.7	57.3	0	0	0	0	118.8
99	E	35.7	Very low	34.3	Very low	176 Å²	176	123.1 Å²	123.1	82%	0.822	73%	0.729	S	S	*	*			cis	-132.5	139.1	1.4	-61.9	-169	133.8	0	0	106.9
100	A	38.6	Very low	34.1	Very low	80 Å²	80	120.9 Å²	120.9	66%	0.661	72%	0.715	S	S	*	*				67.7	151.4	90.4	0	0	0	0	0	113.7
101	E	34.2	Very low	33.8	Very low	172 Å²	172	123.5 Å²	123.5	80%	0.804	71%	0.713	S	S	*	*			cis	-165	148.1	-4.3	-128.2	158.7	-136.5	0	0	107.8
102	S	30.4	Very low	33.9	Very low	115 Å²	115	115.5 Å²	115.5	80%	0.804	69%	0.687	S	S	*	*			trans	65.1	150.1	164.5	75.4	0	0	0	0	120.4
103	A	32.8	Very low	33.8	Very low	76 Å²	76	118.3 Å²	118.3	63%	0.628	68%	0.683	S	S	*	*			trans	69.5	122.5	142.4	0	0	0	0	0	122
104	V	34.6	Very low	33.8	Very low	105 Å²	105	114.7 Å²	114.7	64%	0.636	66%	0.661	S	S	*	*				77.3	126.9	128.1	173.6	0	0	0	0	119.3
105	E	34	Very low	34	Very low	142 Å²	142	113.3 Å²	113.3	66%	0.664	66%	0.657	S	S	*	*			trans	63.7	135.6	165	-69.4	165.7	154.3	0	0	116.2	F107	E105-F107 HydrophobicContact CB-CD2 4.22Å; E105-F107 HydrophobicContact CG-CD2 4.13Å; E105-F107 HydrophobicContact CG-CE2 4.25Å
106	V	34	Very low	34.4	Very low	119 Å²	119	108.2 Å²	108.2	72%	0.721	64%	0.64	S	S	*	*			cis	67.2	162.7	45.6	-170.3	0	0	0	0	110.3
107	F	34.3	Very low	34.7	Very low	130 Å²	130	111.6 Å²	111.6	57%	0.57	64%	0.64	S	S	*	*			trans	65.9	82.1	171.9	-59.3	-43.9	0	0	0	114.2	E105 E109	E105-F107 HydrophobicContact CB-CD2 4.22Å; E105-F107 HydrophobicContact CG-CD2 4.13Å; E105-F107 HydrophobicContact CG-CE2 4.25Å; F107-E109 HydrophobicContact CB-CG 3.6Å; F107-E109 VanDerWaalsContact CD1-CD 3.48Å; F107-E109 HydrophobicContact CD1-CG 3.43Å; F107-E109 VanDerWaalsContact CD1-CG 3.43Å; F107-E109 WeakPolarHBondContact CD1-OE1 3.35Å; F107-E109 HydrophobicContact CE1-CG 4.47Å; F107-E109 WeakPolarHBondContact CE1-OE1 3.15Å; F107-E109 HydrophobicContact CG-CG 3.87Å
108	G	35.6	Very low	35	Very low	79 Å²	79	108 Å²	108	81%	0.814	64%	0.636	S	S	*	*			cis	96.1	-132.4	24.8	0	0	0	0	0	110
109	E	35.6	Very low	34.8	Very low	116 Å²	116	110.4 Å²	110.4	54%	0.542	64%	0.639	S	S	.	*			trans	77.4	131.8	136.5	-69.2	-98.9	139.6	0	0	121.6	F107	F107-E109 HydrophobicContact CB-CG 3.6Å; F107-E109 VanDerWaalsContact CD1-CD 3.48Å; F107-E109 HydrophobicContact CD1-CG 3.43Å; F107-E109 VanDerWaalsContact CD1-CG 3.43Å; F107-E109 WeakPolarHBondContact CD1-OE1 3.35Å; F107-E109 HydrophobicContact CE1-CG 4.47Å; F107-E109 WeakPolarHBondContact CE1-OE1 3.15Å; F107-E109 HydrophobicContact CG-CG 3.87Å
110	T	32.9	Very low	34.5	Very low	90 Å²	90	107 Å²	107	55%	0.552	64%	0.635	S	S	*	*			cis	178.9	175.7	-11.7	20.7	0	0	0	0	114.9
111	L	32.7	Very low	34.4	Very low	120 Å²	120	112 Å²	112	63%	0.628	64%	0.644	S	S	*	*			trans	65.4	164.2	134.2	-69.5	158.4	0	0	0	120.8	Q113	L111-Q113 HydrophobicContact CB-CG 3.78Å; L111-Q113 HydrophobicContact CD1-CG 4.44Å; L111-Q113 HydrophobicContact CD2-CG 3.29Å; L111-Q113 HydrophobicContact CG-CG 3.93Å
112	G	40.6	Very low	34.5	Very low	44 Å²	44	109.4 Å²	109.4	45%	0.454	64%	0.64	S	S	.	*			trans	135.4	33.7	-173.3	0	0	0	0	0	111	S839	G112-S839 WeakPolarHBondContact O-CB 3.46Å
113	Q	35.6	Very low	34.9	Very low	125 Å²	125	109.7 Å²	109.7	58%	0.584	64%	0.636	S	S	*	*				62.1	148.3	83.1	-81.3	-178.8	-46.1	0	0	114.1	L111	L111-Q113 HydrophobicContact CB-CG 3.78Å; L111-Q113 HydrophobicContact CD1-CG 4.44Å; L111-Q113 HydrophobicContact CD2-CG 3.29Å; L111-Q113 HydrophobicContact CG-CG 3.93Å
114	V	35.3	Very low	34.9	Very low	51 Å²	51	113.4 Å²	113.4	31%	0.309	64%	0.641	S	S	.	*				168	121.3	96	167.7	0	0	0	0	108.9	E841	V114-E841 HydrophobicContact CB-CG 3.69Å; V114-E841 HydrophobicContact CG1-CG 3.59Å; V114-E841 HydrophobicContact CG2-CG 4.37Å
115	E	35.3	Very low	34.9	Very low	141 Å²	141	116.3 Å²	116.3	66%	0.659	65%	0.647	S	S	*	*			trans	67.3	158.7	155.5	-73.3	161.9	-163.3	0	0	119	N842	E115-N842 VanDerWaalsContact CB-OD1 3.3Å; E115-N842 WeakPolarHBondContact CB-OD1 3.38Å; E115-N842 PolarHBondContact OE2-ND2 2.83Å
116	A	40.2	Very low	35	Very low	40 Å²	40	114.1 Å²	114.1	33%	0.331	64%	0.643	S	S	.	*			cis	-169.4	169	-4.7	0	0	0	0	0	108.1	L843	A116-L843 HydrophobicContact CB-CD1 4.42Å
117	D	33.4	Very low	34.7	Very low	148 Å²	148	116.1 Å²	116.1	79%	0.791	65%	0.645	S	S	*	*			cis	-163	165.1	-11.8	-109.6	-19.7	0	0	0	109.8
118	A	36.5	Very low	34.5	Very low	77 Å²	77	114.8 Å²	114.8	64%	0.636	65%	0.652	S	S	*	*			trans	15.5	150	141.6	0	0	0	0	0	122.2
119	E	29.3	Very low	34.1	Very low	173 Å²	173	117.9 Å²	117.9	81%	0.808	65%	0.645	S	S	*	*			cis	-172.5	154	0	-117.5	173.1	-140.9	0	0	111.6
120	S	28.8	Very low	33.6	Very low	104 Å²	104	122 Å²	122	73%	0.727	66%	0.655	S	S	*	*			trans	71.9	152.9	150.4	77	0	0	0	0	121.8
121	E	36.4	Very low	33.3	Very low	186 Å²	186	123.4 Å²	123.4	87%	0.869	66%	0.664	S	S	*	*			trans	64.1	140	178.3	-73.1	-164.4	138.9	0	0	116.6
122	V	36.5	Very low	33	Very low	116 Å²	116	122.4 Å²	122.4	70%	0.703	67%	0.667	S	S	*	*			cis	-165.8	147.6	-20.6	92.3	0	0	0	0	109.3
123	V	38	Very low	32.4	Very low	121 Å²	121	125.9 Å²	125.9	73%	0.733	68%	0.679	S	S	*	*			trans	60.9	123	163.1	162.4	0	0	0	0	116.3
124	E	33.4	Very low	32.1	Very low	154 Å²	154	129.2 Å²	129.2	72%	0.72	69%	0.692	S	S	*	*			cis	-137	166.8	0	-98.4	170.4	180	0	0	107.3
125	Q	34.4	Very low	32.5	Very low	167 Å²	167	129.4 Å²	129.4	78%	0.78	70%	0.699	S	S	*	*				57.2	155.5	53.7	-69.3	179.9	-14.1	0	0	112.1
126	V	35.5	Very low	32.7	Very low	95 Å²	95	128.2 Å²	128.2	58%	0.576	70%	0.703	S	S	*	*			cis	-150.5	135.6	-2.9	109.8	0	0	0	0	105.1
127	E	27.5	Very low	32.4	Very low	161 Å²	161	131.3 Å²	131.3	75%	0.752	72%	0.718	S	S	*	*				49.6	148	92.1	-49.3	-178.4	154.3	0	0	116.4
128	S	31.8	Very low	32.2	Very low	102 Å²	102	131.8 Å²	131.8	71%	0.713	72%	0.715	S	S	*	*	S	Bend	trans	37.1	127	136.7	-55.4	0	0	0	0	121.8
129	E	26.4	Very low	32.1	Very low	145 Å²	145	133.9 Å²	133.9	68%	0.678	72%	0.716	S	S	*	*	S	Bend	trans	70.3	162.1	175.6	-48.3	-169.3	146.5	0	0	115.9
130	R	26.2	Very low	32.2	Very low	201 Å²	201	132.5 Å²	132.5	76%	0.758	71%	0.714	S	S	*	*			trans	50.2	124.3	142.7	-76.3	168.5	170.5	143.1	-3.5	120.8
131	V	25.2	Very low	32.7	Very low	121 Å²	121	131 Å²	131	73%	0.733	70%	0.704	S	S	*	*				72	94.6	127.7	-178.7	0	0	0	0	117.1
132	S	27.3	Very low	32.8	Very low	99 Å²	99	130 Å²	130	69%	0.692	70%	0.698	S	S	*	*			trans	78.4	160.5	131.7	82.9	0	0	0	0	121.4
133	V	27.9	Very low	32.8	Very low	117 Å²	117	127.1 Å²	127.1	71%	0.709	69%	0.687	S	S	*	*			trans	71.3	107.2	143.4	163.1	0	0	0	0	118.8
134	F	28.4	Very low	32.8	Very low	194 Å²	194	127.7 Å²	127.7	85%	0.851	69%	0.685	S	S	*	*			trans	73.8	139.2	142.6	-83.4	-115.9	0	0	0	120.8
135	A	44	Very low	33.1	Very low	56 Å²	56	122.1 Å²	122.1	46%	0.463	67%	0.665	S	S	.	*			trans	-74.9	159.7	154.9	0	0	0	0	0	110.4	L875	A135-L875 HydrophobicContact CB-CD1 4.05Å
136	P	39.6	Very low	33.2	Very low	115 Å²	115	121.4 Å²	121.4	75%	0.747	66%	0.662	S	S	*	*				-131.1	154.5	94.4	36.2	-26.6	0	0	0	112.4
137	V	33.1	Very low	33.1	Very low	105 Å²	105	122.9 Å²	122.9	64%	0.636	67%	0.672	S	S	*	*			cis	84.4	144.5	25.6	100.6	0	0	0	0	115.1
138	E	29.9	Very low	33.5	Very low	158 Å²	158	119.3 Å²	119.3	74%	0.738	67%	0.67	S	S	*	*			trans	74.7	150.1	163	-65.8	-175.5	-176.8	0	0	118.2
139	L	33.8	Very low	33.8	Very low	122 Å²	122	119 Å²	119	64%	0.639	67%	0.673	S	S	*	*			cis	-154.8	159.3	-3.7	-124.8	166.1	0	0	0	110.1
140	D	33.1	Very low	33.9	Very low	143 Å²	143	121 Å²	121	77%	0.765	68%	0.682	S	S	*	*				161.4	133.3	115.6	-96.2	-35.7	0	0	0	112.6
141	S	37.7	Very low	34.4	Very low	74 Å²	74	117.1 Å²	117.1	52%	0.517	68%	0.683	S	S	.	*			cis	-154.2	166.8	-7.7	-44.3	0	0	0	0	111.1
142	E	38.2	Very low	34.7	Very low	163 Å²	163	119.1 Å²	119.1	76%	0.762	69%	0.685	S	S	*	*			trans	65.3	140.2	151.5	-70.9	173.9	-161.6	0	0	119.2
143	A	38.4	Very low	35	Very low	56 Å²	56	123.7 Å²	123.7	46%	0.463	69%	0.687	S	S	.	*			cis	-149	140.8	1.3	0	0	0	0	0	110
144	L	37.4	Very low	35.4	Very low	134 Å²	134	123.8 Å²	123.8	70%	0.702	68%	0.68	S	S	*	*				57.2	126.8	92.2	-56.2	178	0	0	0	114.9
145	A	39.2	Very low	35.8	Very low	36 Å²	36	123.1 Å²	123.1	30%	0.298	67%	0.671	S	S	.	*			cis	-162.5	163.3	10.6	0	0	0	0	0	115.4	L1963	A145-L1963 HydrophobicContact CB-CD2 3.55Å
146	E	36.2	Very low	35.4	Very low	152 Å²	152	127.4 Å²	127.4	71%	0.71	69%	0.685	S	S	*	*			trans	45.7	128.8	131	-73.3	-173	111.8	0	0	122.8
147	T	34.7	Very low	35.4	Very low	127 Å²	127	126.5 Å²	126.5	78%	0.779	68%	0.678	S	S	*	*			trans	71.7	151.1	134.9	62.9	0	0	0	0	120
148	A	35.8	Very low	35.7	Very low	86 Å²	86	128 Å²	128	71%	0.711	68%	0.678	S	S	*	*			cis	-166.5	169.2	-20.7	0	0	0	0	0	110.5
149	A	36.7	Very low	36.1	Very low	95 Å²	95	128.6 Å²	128.6	79%	0.785	67%	0.673	S	S	*	*			trans	62.7	112.5	150	0	0	0	0	0	119.8
150	Q	28.6	Very low	36.3	Very low	187 Å²	187	127.6 Å²	127.6	87%	0.874	67%	0.672	S	S	*	*			trans	-25	150.9	134	-76.8	178.2	-18.1	0	0	114.3
151	P	37	Very low	36.7	Very low	119 Å²	119	124 Å²	124	77%	0.773	67%	0.669	S	S	*	*			cis	-150.2	176.7	49.8	41.9	-22.1	0	0	0	118.5
152	E	31.5	Very low	36.4	Very low	163 Å²	163	127.1 Å²	127.1	76%	0.762	68%	0.675	S	S	*	*			trans	-48.5	150.5	155.8	-47.7	-179.7	168.8	0	0	112
153	R	34.2	Very low	36.5	Very low	195 Å²	195	126.6 Å²	126.6	74%	0.736	67%	0.674	S	S	*	*				173.1	161.4	82.7	-135.7	177.7	-165.5	-157.9	0.6	111.9
154	E	36.3	Very low	36.4	Very low	120 Å²	120	131.8 Å²	131.8	56%	0.561	69%	0.689	S	S	*	*			trans	74	115.1	155.8	-71.3	-161.9	166	0	0	121.1
155	R	37.1	Very low	36.4	Very low	180 Å²	180	129.6 Å²	129.6	68%	0.679	69%	0.691	S	S	*	*				94.8	126.4	119.1	-80.4	-179.9	164.9	122.3	11.2	119.9
156	L	34.6	Very low	36.1	Very low	145 Å²	145	134.6 Å²	134.6	76%	0.759	71%	0.708	S	S	*	*			trans	59.4	130.8	130.9	-59.7	170.9	0	0	0	115.9
157	V	39.5	Very low	36.3	Very low	97 Å²	97	137 Å²	137	59%	0.588	71%	0.711	S	S	*	*			cis	177.7	165.3	31.2	94.4	0	0	0	0	109.2
158	E	40.5	Very low	36.3	Very low	137 Å²	137	134.6 Å²	134.6	64%	0.64	71%	0.712	S	S	*	*			trans	63.3	117	163.6	-83.4	139	-151.9	0	0	119.8
159	R	37.8	Very low	36.3	Very low	169 Å²	169	139.5 Å²	139.5	64%	0.638	72%	0.721	S	S	*	*			cis	66.7	124	36	-161.9	-148.4	-59.8	114.6	-2.9	112.6
160	V	37.7	Very low	36.3	Very low	102 Å²	102	141.6 Å²	141.6	62%	0.618	72%	0.723	S	S	*	*				156.8	130	128	160.5	0	0	0	0	109.1
161	G	42.3	Very low	36.8	Very low	67 Å²	67	135.8 Å²	135.8	69%	0.691	71%	0.714	S	S	*	*			trans	132.6	66.1	168.3	0	0	0	0	0	112.7
162	E	31.9	Very low	36.8	Very low	140 Å²	140	140.2 Å²	140.2	65%	0.654	72%	0.724	S	S	*	*			cis	52.4	165.8	23.8	-58.7	-175.3	149	0	0	115.9
163	M	38.6	Very low	37.1	Very low	151 Å²	151	135.9 Å²	135.9	74%	0.744	72%	0.723	S	S	*	*			trans	73.1	140.3	-172	-57	178.6	170	0	0	114.2
164	E	37.8	Very low	37.2	Very low	166 Å²	166	133.2 Å²	133.2	78%	0.776	73%	0.728	S	S	*	*			cis	-168.2	162	-4.4	-114.5	171.3	-160.9	0	0	106.7
165	A	37.4	Very low	37.1	Very low	88 Å²	88	136.2 Å²	136.2	73%	0.727	74%	0.74	S	S	*	*			cis	-156.4	171.3	-0.5	0	0	0	0	0	111.5
166	E	32.9	Very low	37	Very low	141 Å²	141	135.5 Å²	135.5	66%	0.659	74%	0.744	S	S	*	*			trans	-51.6	175.2	163.5	-164.9	-173.3	171.8	0	0	115.9
167	Y	38.9	Very low	37.2	Very low	201 Å²	201	131.8 Å²	131.8	79%	0.788	74%	0.741	S	S	*	*			trans	78	113.1	171.6	-57.6	-82.2	0	0	0	118.7
168	G	36.1	Very low	37	Very low	77 Å²	77	135.8 Å²	135.8	79%	0.794	75%	0.753	S	S	*	*			trans	-156.7	-45.1	-177.1	0	0	0	0	0	123.3
169	E	35.4	Very low	36.8	Very low	190 Å²	190	135.2 Å²	135.2	89%	0.888	76%	0.759	S	S	*	*			trans	61.9	142	177.9	-145.9	-173.6	-177.1	0	0	119.2
170	V	37.1	Very low	36.6	Very low	139 Å²	139	131.6 Å²	131.6	84%	0.842	75%	0.749	S	S	*	*			trans	70.8	115.2	168.2	-163.2	0	0	0	0	117.4
171	G	38.1	Very low	36.5	Very low	65 Å²	65	131.6 Å²	131.6	67%	0.67	76%	0.76	S	S	*	*			cis	141	139.9	16.7	0	0	0	0	0	111.4
172	E	36.4	Very low	36	Very low	211 Å²	211	136.3 Å²	136.3	99%	0.986	76%	0.764	S	S	*	*			trans	65	124.6	171.7	-54.6	-179.8	-175.8	0	0	118.4
173	G	37.9	Very low	36.2	Very low	73 Å²	73	135.3 Å²	135.3	75%	0.753	77%	0.773	S	S	*	*			cis	156	177.8	-8.6	0	0	0	0	0	114.1
174	V	36.4	Very low	35.9	Very low	138 Å²	138	132.8 Å²	132.8	84%	0.836	78%	0.776	S	S	*	*			trans	93.7	96.1	158.7	-174.7	0	0	0	0	120.3
175	F	34.4	Very low	35.8	Very low	184 Å²	184	131.1 Å²	131.1	81%	0.807	78%	0.777	S	S	*	*			trans	85.6	143.2	138.3	-91.6	-101.9	0	0	0	125
176	E	35.5	Very low	35.6	Very low	164 Å²	164	134.7 Å²	134.7	77%	0.766	78%	0.778	S	S	*	*			trans	-71	175.4	176.8	-50.1	110.9	175.9	0	0	112.5
177	G	39.2	Very low	35.7	Very low	67 Å²	67	133.7 Å²	133.7	69%	0.691	78%	0.782	S	S	*	*			cis	119.6	150.9	23.4	0	0	0	0	0	109
178	E	35.3	Very low	35.6	Very low	182 Å²	182	134.1 Å²	134.1	85%	0.85	79%	0.788	S	S	*	*			cis	-145.8	-166.6	-0.6	-66	-168	111	0	0	110.6
179	T	36.3	Very low	35.7	Very low	124 Å²	124	133.4 Å²	133.4	76%	0.761	78%	0.781	S	S	*	*			trans	-141.6	141.9	-172.9	53.3	0	0	0	0	113.2
180	E	33.1	Very low	35.8	Very low	93 Å²	93	133.1 Å²	133.1	44%	0.435	78%	0.78	S	S	.	*			trans	-140.2	153.5	162.8	-73.1	-176.3	111.9	0	0	111.4	S1297 L1298	E180-S1297 VanDerWaalsContact OE2-C 3.27Å; E180-S1297 WeakPolarHBondContact OE2-CA 3.45Å; E180-S1297 PolarHBondContact OE2-N 3.34Å; E180-L1298 HydrophobicContact CB-CG 4.18Å; E180-L1298 WeakPolarHBondContact O-CD1 3.3Å
181	A	35	Very low	35.5	Very low	103 Å²	103	131.5 Å²	131.5	85%	0.851	77%	0.77	S	S	*	*			trans	-151.6	151.6	175.2	0	0	0	0	0	110
182	E	32.8	Very low	35.4	Very low	166 Å²	166	134.9 Å²	134.9	78%	0.776	77%	0.772	S	S	*	*			trans	-121.3	134.4	-177.2	-65.3	-178.6	162.6	0	0	112.1
183	S	34.9	Very low	35.7	Very low	118 Å²	118	128.2 Å²	128.2	83%	0.825	76%	0.76	S	S	*	*			trans	-164.3	88	158.4	61.3	0	0	0	0	114.7
184	A	33.9	Very low	35.3	Very low	98 Å²	98	133.6 Å²	133.6	81%	0.81	77%	0.765	S	S	*	*			trans	54.2	162.5	138.4	0	0	0	0	0	124.2
185	V	34.5	Very low	35.2	Very low	131 Å²	131	133.1 Å²	133.1	79%	0.794	76%	0.762	S	S	*	*			trans	106.5	152.4	161.4	-172.7	0	0	0	0	116.8
186	E	33.9	Very low	35.4	Very low	164 Å²	164	132.6 Å²	132.6	77%	0.766	76%	0.762	S	S	*	*			trans	-52.5	148.8	-168.2	-76.9	130.1	161.6	0	0	116
187	V	35.7	Very low	35.4	Very low	120 Å²	120	128.3 Å²	128.3	73%	0.727	76%	0.755	S	S	*	*			cis	84.3	93.1	49.3	177.2	0	0	0	0	114.4
188	F	35.1	Very low	35.3	Very low	209 Å²	209	132.3 Å²	132.3	92%	0.917	76%	0.761	S	S	*	*				-178.5	155.6	126.7	-107.8	-71.1	0	0	0	112.4
189	G	39.1	Very low	35.2	Very low	63 Å²	63	128.3 Å²	128.3	65%	0.649	76%	0.758	S	S	*	*			trans	74.5	123	170.9	0	0	0	0	0	115.7
190	E	36.9	Very low	35.2	Very low	184 Å²	184	131.6 Å²	131.6	86%	0.86	77%	0.765	S	S	*	*			cis	62	129.4	17.9	-58.4	-161.3	164.9	0	0	115.4
191	T	31.2	Very low	35.4	Very low	104 Å²	104	132 Å²	132	64%	0.638	78%	0.778	S	S	*	*			cis	-159.8	176.6	-3.1	19.3	0	0	0	0	112
192	L	35.6	Very low	35.7	Very low	137 Å²	137	134.8 Å²	134.8	72%	0.717	77%	0.774	S	S	*	*			trans	99.3	136.3	156.2	-54.2	-176.2	0	0	0	120	L894	L192-L894 HydrophobicContact CD1-CD1 4.37Å
193	G	42.4	Very low	35.8	Very low	70 Å²	70	133.2 Å²	133.2	72%	0.722	78%	0.775	S	S	*	*			trans	78.9	120.5	169.3	0	0	0	0	0	115.7
194	Q	31.4	Very low	35.9	Very low	187 Å²	187	132.8 Å²	132.8	87%	0.874	77%	0.767	S	S	*	*			cis	59	145	5.7	-69.6	-165.1	-20.2	0	0	116.9
195	V	34.2	Very low	36	Very low	127 Å²	127	134.9 Å²	134.9	77%	0.77	76%	0.76	S	S	*	*			trans	70.8	127.7	-159.8	-172.4	0	0	0	0	110
196	E	38.2	Very low	36	Very low	173 Å²	173	135.5 Å²	135.5	81%	0.808	76%	0.755	S	S	*	*			cis	-137.5	141.3	-3.9	-111	145.8	-162.4	0	0	106.4
197	A	34.7	Very low	36.2	Very low	74 Å²	74	133.2 Å²	133.2	61%	0.612	75%	0.751	S	S	*	*				76.5	151.7	75.2	0	0	0	0	0	114.8
198	D	37.4	Very low	36.1	Very low	152 Å²	152	134.2 Å²	134.2	81%	0.813	75%	0.748	S	S	*	*			trans	49.4	99.6	161	-49.3	-21.9	0	0	0	117.2
199	A	32.8	Very low	35.9	Very low	97 Å²	97	129.7 Å²	129.7	80%	0.802	74%	0.743	S	S	*	*			cis	62.3	103.3	40.1	0	0	0	0	0	114.6
200	E	36.9	Very low	35.8	Very low	194 Å²	194	133.5 Å²	133.5	91%	0.907	74%	0.743	S	S	*	*			trans	-158.6	137.4	160.4	-133.8	-179.1	-129.5	0	0	112
201	S	37.9	Very low	35.7	Very low	101 Å²	101	133.7 Å²	133.7	71%	0.706	74%	0.736	S	S	*	*			trans	56.7	140.4	170.9	-113.4	0	0	0	0	119.5
202	E	40.6	Very low	36	Very low	161 Å²	161	134.8 Å²	134.8	75%	0.752	74%	0.743	S	S	*	*			cis	-156	176.5	0.6	-146.3	165.9	152.4	0	0	110	V204	E202-V204 HydrophobicContact CG-CG2 4.36Å
203	V	35.6	Very low	35.8	Very low	134 Å²	134	133.2 Å²	133.2	81%	0.812	74%	0.743	S	S	*	*			trans	74.4	73.8	-168.9	-165.8	0	0	0	0	112.3
204	V	35.5	Very low	35.2	Very low	108 Å²	108	136.5 Å²	136.5	66%	0.655	75%	0.749	S	S	*	*				63.3	114.6	54.7	-177.8	0	0	0	0	110.1	E202	E202-V204 HydrophobicContact CG-CG2 4.36Å
205	E	36.3	Very low	35.4	Very low	143 Å²	143	136.9 Å²	136.9	67%	0.668	75%	0.748	S	S	*	*			cis	-158.5	148.5	18.9	-141.8	171.6	178.2	0	0	114.1
206	Q	35.9	Very low	35.2	Very low	144 Å²	144	134.9 Å²	134.9	67%	0.673	74%	0.744	S	S	*	*			trans	51.2	147.7	150.6	-77	149.5	27.3	0	0	120.3
207	V	36.2	Very low	35.1	Very low	115 Å²	115	132.3 Å²	132.3	70%	0.697	74%	0.743	S	S	*	*			cis	-128.9	144.6	24.3	170.2	0	0	0	0	111.9
208	E	35.1	Very low	35	Very low	141 Å²	141	134.7 Å²	134.7	66%	0.659	75%	0.75	S	S	*	*			trans	-5.7	142.7	163.8	-63.1	104.8	-111.5	0	0	119.9
209	S	31	Very low	34.6	Very low	115 Å²	115	132.8 Å²	132.8	80%	0.804	74%	0.736	S	S	*	*			cis	54.1	94.7	5.4	-56.4	0	0	0	0	117.7
210	E	36.3	Very low	34.6	Very low	142 Å²	142	135 Å²	135	66%	0.664	73%	0.733	S	S	*	*			trans	178.7	141.3	150.2	-80	-123.8	134.5	0	0	106.7
211	R	35.5	Very low	34.1	Very low	188 Å²	188	132.9 Å²	132.9	71%	0.709	72%	0.723	S	S	*	*			cis	-150.1	151.3	-9.2	-96.4	-177.4	-173.8	166.8	18.4	106.8
212	V	35.9	Very low	34	Very low	128 Å²	128	133 Å²	133	78%	0.776	73%	0.725	S	S	*	*				64.3	130.7	55.4	176	0	0	0	0	111.3
213	S	32.9	Very low	33.4	Very low	104 Å²	104	132.1 Å²	132.1	73%	0.727	72%	0.72	S	S	*	*			cis	-161	-168.8	-15.3	51.4	0	0	0	0	108.6	F215	S213-F215 PolarHBondContact O-N 3.42Å
214	V	29.8	Very low	33.2	Very low	138 Å²	138	129.1 Å²	129.1	84%	0.836	71%	0.71	S	S	*	*	S	Bend	trans	-61.5	110.3	179.2	178.5	0	0	0	0	111.9
215	F	34	Very low	33	Very low	196 Å²	196	130.5 Å²	130.5	86%	0.86	71%	0.713	S	S	*	*			trans	47.8	112.2	160.7	-80.8	-82.2	0	0	0	121.3	S213	S213-F215 PolarHBondContact O-N 3.42Å
216	A	30.6	Very low	33.1	Very low	84 Å²	84	128 Å²	128	69%	0.694	72%	0.716	S	S	*	*			trans	-64.2	165.3	145.5	0	0	0	0	0	111.6
217	P	36.4	Very low	33.2	Very low	120 Å²	120	129.4 Å²	129.4	78%	0.779	72%	0.723	S	S	*	*			trans	-111.4	-165.6	-152.9	43.1	-35.8	0	0	0	115
218	V	33.4	Very low	33	Very low	124 Å²	124	129.5 Å²	129.5	75%	0.752	72%	0.724	S	S	*	*			trans	-119.7	146.5	170.5	-158.5	0	0	0	0	105.4
219	E	28.3	Very low	32.6	Very low	112 Å²	112	126.7 Å²	126.7	52%	0.523	73%	0.725	S	S	.	*			cis	-132.2	154.9	24.8	-24.5	-158.4	72.2	0	0	114.2
220	L	33.4	Very low	32.4	Very low	142 Å²	142	123.7 Å²	123.7	74%	0.743	71%	0.707	S	S	*	*			trans	27.1	150.7	133.9	-51.8	176.9	0	0	0	120.4
221	E	25.5	Very low	32	Very low	150 Å²	150	122.4 Å²	122.4	70%	0.701	70%	0.701	S	S	*	*			cis	-135	-179.1	21.9	-59.2	-178.5	124.8	0	0	112.6
222	S	35	Very low	32.2	Very low	105 Å²	105	116 Å²	116	73%	0.734	68%	0.684	S	S	*	*			trans	70.6	146.2	166.4	81.3	0	0	0	0	116.2
223	E	29.6	Very low	32	Very low	142 Å²	142	117.1 Å²	117.1	66%	0.664	68%	0.681	S	S	*	*			cis	-168.3	164.2	-32	-129	173.1	-163.9	0	0	107.2
224	A	31.1	Very low	31.8	Very low	71 Å²	71	118.5 Å²	118.5	59%	0.587	67%	0.67	S	S	*	*			trans	45.7	121.7	143.7	0	0	0	0	0	122
225	L	30.3	Very low	31.6	Very low	136 Å²	136	117.4 Å²	117.4	71%	0.712	66%	0.656	S	S	*	*				59.4	71.8	123	-53.8	173	0	0	0	118.8	K984	L225-K984 VanDerWaalsContact CD1-O 3.28Å; L225-K984 WeakPolarHBondContact CD1-O 3.41Å
226	A	39.6	Very low	31.6	Very low	91 Å²	91	116.4 Å²	116.4	75%	0.752	65%	0.646	S	S	*	*			trans	-135.1	120.6	137.9	0	0	0	0	0	107.2
227	E	36.3	Very low	31.8	Very low	174 Å²	174	118.5 Å²	118.5	81%	0.813	65%	0.645	S	S	*	*				49.8	86.4	83.6	-71.5	-150.7	117.6	0	0	111.4
228	T	32.1	Very low	31.9	Very low	116 Å²	116	118 Å²	118	71%	0.712	64%	0.64	S	S	*	*				72.1	160.6	78.3	66.7	0	0	0	0	113.7
229	A	28.5	Very low	32	Very low	83 Å²	83	118 Å²	118	69%	0.686	63%	0.631	S	S	*	*			trans	55	91	151.3	0	0	0	0	0	116.8
230	A	26.4	Very low	32.1	Very low	52 Å²	52	118.5 Å²	118.5	43%	0.43	63%	0.628	S	S	.	*				10.1	125.2	110	0	0	0	0	0	116.7
231	Q	27.1	Very low	32.3	Very low	114 Å²	114	116 Å²	116	53%	0.533	62%	0.619	S	S	.	*	S	Bend		-166.2	142.3	119.3	-105.6	161.1	49.9	0	0	110.4	E233	Q231-E233 WeakPolarHBondContact CG-O 3.15Å
232	P	39.5	Very low	32.8	Very low	55 Å²	55	112.9 Å²	112.9	36%	0.357	63%	0.628	S	S	.	*			cis	-103.7	110	15.4	10.1	12.3	0	0	0	112.6	R234	P232-R234 VanDerWaalsContact CA-N 3.29Å; P232-R234 HydrophobicContact CB-CB 4.1Å
233	E	31.7	Very low	32.8	Very low	150 Å²	150	114.9 Å²	114.9	70%	0.701	63%	0.625	S	S	*	*				-50.2	87.8	86.7	-79	-150.1	138.9	0	0	114	Q231	Q231-E233 WeakPolarHBondContact CG-O 3.15Å
234	R	29	Very low	33.4	Very low	133 Å²	133	115 Å²	115	50%	0.502	63%	0.627	S	S	.	*			trans	-142	95.6	139.7	-123	136.1	-157.2	176.7	10	109.3	P232	P232-R234 VanDerWaalsContact CA-N 3.29Å; P232-R234 HydrophobicContact CB-CB 4.1Å
235	E	25.9	Very low	33.2	Very low	115 Å²	115	118.4 Å²	118.4	54%	0.537	63%	0.631	S	S	.	*				53.5	145	74.2	-55.3	-179	98.8	0	0	111.2
236	R	33.8	Very low	33.1	Very low	176 Å²	176	115.3 Å²	115.3	66%	0.664	63%	0.625	S	S	*	*			trans	91.9	106.7	-172.9	-58.6	145.3	-172.7	166.6	2.9	109.4
237	L	34.4	Very low	32.7	Very low	128 Å²	128	118.6 Å²	118.6	67%	0.67	63%	0.625	S	S	*	*			cis	-130.2	138.6	33.5	-65.9	171.8	0	0	0	111.1	E239	L237-E239 HydrophobicContact CB-CB 4Å; L237-E239 HydrophobicContact CD1-CB 4.1Å; L237-E239 HydrophobicContact CD1-CG 4.45Å; L237-E239 HydrophobicContact CD2-CB 3.86Å; L237-E239 HydrophobicContact CD2-CG 3.92Å; L237-E239 HydrophobicContact CG-CB 4.18Å
238	V	39.6	Very low	33	Very low	109 Å²	109	119.6 Å²	119.6	66%	0.661	62%	0.623	S	S	*	*			cis	42.6	55.2	4.5	-161	0	0	0	0	114.3
239	E	34.1	Very low	33.6	Very low	123 Å²	123	117.6 Å²	117.6	58%	0.575	63%	0.625	S	S	*	*			trans	-122.1	119.9	151.3	-130.8	-175.6	-128.7	0	0	107.2	L237	L237-E239 HydrophobicContact CB-CB 4Å; L237-E239 HydrophobicContact CD1-CB 4.1Å; L237-E239 HydrophobicContact CD1-CG 4.45Å; L237-E239 HydrophobicContact CD2-CB 3.86Å; L237-E239 HydrophobicContact CD2-CG 3.92Å; L237-E239 HydrophobicContact CG-CB 4.18Å
240	R	30.3	Very low	34.2	Very low	123 Å²	123	121.4 Å²	121.4	46%	0.464	63%	0.629	S	S	.	*			cis	-125	164.8	-0.8	-153.2	166.8	-93.6	83.9	8.4	108.8	E243 E245	R240-E243 VanDerWaalsContact CD-O 3.31Å; R240-E243 WeakPolarHBondContact CD-O 3.01Å; R240-E243 WeakPolarHBondContact CG-O 3.37Å; R240-E245 WeakPolarHBondContact CB-O 3.44Å; R240-E245 WeakPolarHBondContact CD-O 3.14Å; R240-E245 PolarHBondContact NH1-O 3.33Å
241	V	38.9	Very low	34.7	Very low	89 Å²	89	124.4 Å²	124.4	54%	0.539	64%	0.641	S	S	.	*			trans	-62.7	179.1	178.8	-173.6	0	0	0	0	109.7	E243 M244	V241-E243 HydrophobicContact CB-CB 3.92Å; V241-E243 HydrophobicContact CB-CG 4.02Å; V241-E243 HydrophobicContact CG1-CG 4.23Å; V241-E243 CarbonylContact O-C 3.15Å; V241-E243 PolarHBondContact O-N 3.19Å; V241-M244 PolarHBondContact O-N 3.34Å
242	G	36.4	Very low	35.3	Very low	86 Å²	86	122.1 Å²	122.1	89%	0.887	65%	0.649	S	S	*	*	S	Bend	trans	-48.8	-11.4	152.7	0	0	0	0	0	114.3	M244	G242-M244 PolarHBondContact O-N 3.48Å
243	E	35.2	Very low	35	Very low	146 Å²	146	128.5 Å²	128.5	68%	0.682	67%	0.674	S	S	*	*	S	Bend	trans	-62.9	60.2	149.1	-54.1	-177.8	-166.1	0	0	113.2	R240 V241	R240-E243 VanDerWaalsContact CD-O 3.31Å; R240-E243 WeakPolarHBondContact CD-O 3.01Å; R240-E243 WeakPolarHBondContact CG-O 3.37Å; V241-E243 HydrophobicContact CB-CB 3.92Å; V241-E243 HydrophobicContact CB-CG 4.02Å; V241-E243 HydrophobicContact CG1-CG 4.23Å; V241-E243 CarbonylContact O-C 3.15Å; V241-E243 PolarHBondContact O-N 3.19Å
244	M	40.8	Very low	35.5	Very low	144 Å²	144	124.5 Å²	124.5	71%	0.709	67%	0.673	S	S	*	*	S	Bend	trans	51.1	99.7	145.3	-164	159	-72.8	0	0	117.7	V241 G242	V241-M244 PolarHBondContact O-N 3.34Å; G242-M244 PolarHBondContact O-N 3.48Å
245	E	28.4	Very low	35.5	Very low	144 Å²	144	124.4 Å²	124.4	67%	0.673	69%	0.686	S	S	*	*			trans	85.4	140	157.6	-56.9	171.8	-175.5	0	0	118.3	R240	R240-E245 WeakPolarHBondContact CB-O 3.44Å; R240-E245 WeakPolarHBondContact CD-O 3.14Å; R240-E245 PolarHBondContact NH1-O 3.33Å
246	A	26.2	Very low	36.1	Very low	71 Å²	71	127 Å²	127	59%	0.587	70%	0.697	S	S	*	*			cis	-175.7	162.4	-19.2	0	0	0	0	0	109.9
247	E	32.9	Very low	36	Very low	160 Å²	160	126.3 Å²	126.3	75%	0.748	70%	0.701	S	S	*	*			trans	67.1	129.5	144.4	-86.4	-173.9	171.1	0	0	122.1
248	Y	42.5	Very low	36	Very low	195 Å²	195	123.1 Å²	123.1	77%	0.765	70%	0.699	S	S	*	*			trans	51.8	125.5	155.3	-57.3	-67	0	0	0	119.3
249	G	43.3	Very low	36	Very low	74 Å²	74	121.6 Å²	121.6	76%	0.763	68%	0.684	S	S	*	*			cis	160.7	-178.7	8.1	0	0	0	0	0	109.1
250	E	42.2	Very low	36.2	Very low	162 Å²	162	120 Å²	120	76%	0.757	68%	0.683	S	S	*	*			cis	-141.2	133.4	-7.6	-103.9	174.3	128.4	0	0	105.5
251	V	36.2	Very low	36.3	Very low	115 Å²	115	119.3 Å²	119.3	70%	0.697	69%	0.685	S	S	*	*				54	120.1	97.1	-176.8	0	0	0	0	112.6	E253	V251-E253 HydrophobicContact CG1-CG 4.13Å
252	G	39.5	Very low	36.5	Very low	67 Å²	67	119 Å²	119	69%	0.691	69%	0.692	S	S	*	*			cis	125.7	-163.9	8.9	0	0	0	0	0	110.9
253	E	33.8	Very low	36.5	Very low	189 Å²	189	122 Å²	122	88%	0.883	68%	0.683	S	S	*	*			trans	66.3	153.3	172.2	-53.3	-174.9	162.9	0	0	117	V251	V251-E253 HydrophobicContact CG1-CG 4.13Å
254	G	41.7	Very low	36.2	Very low	65 Å²	65	121.1 Å²	121.1	67%	0.67	69%	0.693	S	S	*	*			trans	86.3	113.9	178.8	0	0	0	0	0	113.6
255	V	29.4	Very low	35.9	Very low	131 Å²	131	118.7 Å²	118.7	79%	0.794	70%	0.696	S	S	*	*			cis	56.8	100.2	14.8	-172.6	0	0	0	0	113.2
256	F	38.9	Very low	36.5	Very low	171 Å²	171	118 Å²	118	75%	0.75	70%	0.701	S	S	*	*			trans	-173.2	103.4	134.3	-112.4	-77.4	0	0	0	111.8
257	E	31.4	Very low	37.5	Very low	161 Å²	161	122.1 Å²	122.1	75%	0.752	71%	0.708	S	S	*	*			trans	45.6	123.8	142	-58.4	172.4	176	0	0	122.1
258	G	35.4	Very low	38	Very low	61 Å²	61	121.2 Å²	121.2	63%	0.629	71%	0.714	S	S	*	*				148.2	101.3	127.3	0	0	0	0	0	122
259	E	37.6	Very low	38.2	Very low	76 Å²	76	121.1 Å²	121.1	36%	0.355	72%	0.718	S	S	.	*			trans	67.3	137.2	132.4	-16.9	-164.5	95.2	0	0	119.6	R1319 T1320 T1321	E259-R1319 VanDerWaalsContact OE2-CG 3.25Å; E259-R1319 WeakPolarHBondContact OE2-CG 3.28Å; E259-R1319 IonicContact OE2-NE 2.67Å; E259-R1319 PolarHBondContact OE2-NE 3.33Å; E259-T1320 WeakPolarHBondContact OE1-CA 3.42Å; E259-T1320 WeakPolarHBondContact OE1-CB 3.46Å; E259-T1320 VanDerWaalsContact OE1-CG2 3.28Å; E259-T1320 WeakPolarHBondContact OE1-CG2 3.24Å; E259-T1321 HydrophobicContact CG-CG2 4.11Å; E259-T1321 WeakPolarHBondContact OE1-CG2 3.49Å; E259-T1321 PolarHBondContact OE1-N 2.89Å
260	T	38.5	Very low	38.6	Very low	90 Å²	90	120.9 Å²	120.9	55%	0.552	72%	0.715	S	S	*	*			cis	71.4	152	23.2	75.2	0	0	0	0	115.5
261	E	33.4	Very low	38.6	Very low	108 Å²	108	122.7 Å²	122.7	51%	0.505	72%	0.723	S	S	.	*			cis	-107.5	171.9	-2.4	-68.8	73.5	-124.8	0	0	111.8	T1321 L1322	E261-T1321 WeakPolarHBondContact OE1-CA 3.23Å; E261-L1322 PolarHBondContact OE1-N 3.29Å
262	A	42.2	Very low	38.5	Very low	84 Å²	84	123.9 Å²	123.9	69%	0.694	73%	0.731	S	S	*	*			cis	82.4	148.6	20.3	0	0	0	0	0	114.9
263	E	37.2	Very low	37.9	Very low	147 Å²	147	127.7 Å²	127.7	69%	0.687	74%	0.735	S	S	*	*			cis	-151.3	164.7	8.3	-70	-176.9	157.4	0	0	113.5
264	S	27.7	Very low	37.8	Very low	129 Å²	129	120.9 Å²	120.9	90%	0.902	72%	0.715	S	S	*	*				-162	108	128.7	47.7	0	0	0	0	111.2
265	A	35.4	Very low	38	Very low	92 Å²	92	123.2 Å²	123.2	76%	0.76	71%	0.709	S	S	*	*			trans	-141.5	171.8	-165.8	0	0	0	0	0	113.3
266	V	40.8	Very low	39.1	Very low	130 Å²	130	118.9 Å²	118.9	79%	0.788	68%	0.683	S	S	*	*			trans	-152.3	177.1	-167.6	142.1	0	0	0	0	112.4
267	E	47.7	Very low	39.6	Very low	157 Å²	157	117.4 Å²	117.4	73%	0.734	68%	0.678	S	S	*	*			trans	103.2	155.7	151.6	-102.3	152.6	-121.4	0	0	124.4
268	V	43.1	Very low	40.5	Very low	142 Å²	142	110.8 Å²	110.8	86%	0.861	65%	0.651	S	S	*	*			trans	-161.2	153.1	179.8	-174.6	0	0	0	0	110.3
269	F	47.2	Very low	40.9	Very low	193 Å²	193	114.7 Å²	114.7	85%	0.846	66%	0.657	S	S	*	*			trans	-156.7	171.7	-169.1	-114.7	-82.4	0	0	0	122.7
270	G	52.4	Low	41.4	Very low	69 Å²	69	114.9 Å²	114.9	71%	0.711	67%	0.672	S	S	*	*			trans	-174	177.3	176.4	0	0	0	0	0	121
271	E	41.3	Very low	41.4	Very low	199 Å²	199	116.9 Å²	116.9	93%	0.93	68%	0.675	S	S	*	*			trans	-158.6	175	-166.1	-157.6	163.2	-121.8	0	0	120.7
272	T	34.3	Very low	41.8	Very low	141 Å²	141	113.7 Å²	113.7	87%	0.865	67%	0.665	S	S	*	*			trans	-154.7	-179.8	-171.7	61.5	0	0	0	0	121.8
273	L	26.2	Very low	41.7	Very low	147 Å²	147	113.6 Å²	113.6	77%	0.77	65%	0.65	S	S	*	*			trans	-160.5	-175.5	-175.6	-116.9	173.8	0	0	0	121.2	L1474	L273-L1474 HydrophobicContact CD1-CD2 4.16Å; L273-L1474 HydrophobicContact CD2-CD2 3.9Å
274	G	32.1	Very low	41.8	Very low	45 Å²	45	108.5 Å²	108.5	46%	0.464	63%	0.629	S	S	.	*			trans	-159.7	-170.1	-171.5	0	0	0	0	0	124.9	G1475	G274-G1475 PolarHBondContact O-N 2.88Å
275	Q	46.6	Very low	42.7	Very low	114 Å²	114	107 Å²	107	53%	0.533	61%	0.614	S	S	.	*	B	Isolated β-bridge	trans	-157.2	0	-164	-67.9	-147.5	-78	0	0	116.8	L1474	Q275-L1474 PolarHBondContact NE2-O 3.46Å
276	V	51.9	Low	43.4	Very low	41 Å²	41	110 Å²	110	25%	0.248	61%	0.612	C	S	.	*				0	-165	0	148.2	0	0	0	0	115.2	G1475 Y1503 L1504	V276-G1475 WeakPolarHBondContact CA-O 3.48Å; V276-G1475 WeakPolarHBondContact CG2-O 2.95Å; V276-Y1503 CarbonylContact C-O 3.54Å; V276-Y1503 VanDerWaalsContact CA-O 3.3Å; V276-Y1503 WeakPolarHBondContact CA-O 3.19Å; V276-Y1503 VanDerWaalsContact CB-O 3.31Å; V276-Y1503 WeakPolarHBondContact CB-O 3.17Å; V276-Y1503 WeakPolarHBondContact CG1-O 3.25Å; V276-L1504 HydrophobicContact CB-CD1 4.43Å
277	E	49	Very low	43.9	Very low	139 Å²	139	109.9 Å²	109.9	65%	0.65	60%	0.603	S	S	*	*			trans	-111.2	-137	-150.2	-56.6	-177.7	103.8	0	0	123.4	A1476 E1502 Y1503	E277-A1476 HydrophobicContact CG-CB 3.4Å; E277-A1476 VanDerWaalsContact CG-CB 3.4Å; E277-E1502 PolarHBondContact O-N 3.1Å; E277-Y1503 PolarHBondContact N-O 3.35Å; E277-Y1503 WeakPolarHBondContact O-CA 3.47Å; E277-Y1503 WeakPolarHBondContact O-CB 3.39Å; E277-Y1503 PolarHBondContact O-N 3.26Å
278	A	49.8	Very low	43.7	Very low	22 Å²	22	108.3 Å²	108.3	18%	0.182	60%	0.604	C	S	.	*			trans	167.7	107.4	143.4	0	0	0	0	0	122.3	L1500 E1502 Y1503	A278-L1500 HydrophobicContact CB-CD2 4.48Å; A278-L1500 CarbonylContact O-C 3.18Å; A278-E1502 HydrophobicContact CB-CB 3.94Å; A278-E1502 VanDerWaalsContact CB-N 3.26Å; A278-Y1503 HydrophobicContact CB-CD2 4.22Å
279	D	45.2	Very low	43.5	Very low	143 Å²	143	109.6 Å²	109.6	77%	0.765	60%	0.6	S	S	*	*			trans	10.7	171.4	151.8	-71.3	64.9	0	0	0	127.5
280	A	46.8	Very low	43.5	Very low	80 Å²	80	105 Å²	105	66%	0.661	59%	0.592	S	S	*	*			cis	175.6	151.2	-34.9	0	0	0	0	0	114.1
281	E	38.4	Very low	43.2	Very low	132 Å²	132	108.5 Å²	108.5	62%	0.617	59%	0.59	S	S	*	*			trans	-156.6	159.8	168.9	-121.9	169.5	-145.6	0	0	115.9	V299	E281-V299 HydrophobicContact CB-CG1 4.11Å; E281-V299 HydrophobicContact CG-CG1 3.23Å
282	S	42	Very low	43.1	Very low	42 Å²	42	108.7 Å²	108.7	29%	0.294	58%	0.582	S	S	.	*			trans	-159.8	176.7	-161.1	78.9	0	0	0	0	119.8
283	E	41.1	Very low	43.3	Very low	81 Å²	81	107.8 Å²	107.8	38%	0.379	58%	0.576	S	S	.	*			trans	-176.8	162	145.1	-100.1	-56.7	132.4	0	0	120.6	P298 L301 A311 Q312	E283-P298 VanDerWaalsContact OE1-CG 3.25Å; E283-P298 WeakPolarHBondContact OE1-CG 3.1Å; E283-L301 HydrophobicContact CB-CD1 4.36Å; E283-L301 HydrophobicContact CG-CD1 3.91Å; E283-A311 CarbonylContact O-C 3.45Å; E283-A311 VanDerWaalsContact O-CA 3.3Å; E283-A311 WeakPolarHBondContact O-CA 3.27Å; E283-A311 PolarHBondContact O-N 3Å; E283-Q312 VanDerWaalsContact C-CG 3.43Å; E283-Q312 HydrophobicContact CB-CG 4.41Å; E283-Q312 HydrophobicContact CG-CG 4.38Å; E283-Q312 PolarHBondContact O-N 2.83Å; E283-Q312 WeakPolarHBondContact OE1-CG 3.45Å; E283-Q312 PolarHBondContact OE1-NE2 3.13Å; E283-Q312 PolarHBondContact OE2-NE2 2.8Å
284	V	39.1	Very low	44	Very low	41 Å²	41	105.3 Å²	105.3	25%	0.248	57%	0.571	C	S	.	*			trans	-115.1	176	-159	79.8	0	0	0	0	119.9	A310 A311 Q312	V284-A310 WeakPolarHBondContact O-CB 3.18Å; V284-A311 HydrophobicContact CG2-CB 4.45Å; V284-Q312 HydrophobicContact CB-CB 4.13Å; V284-Q312 VanDerWaalsContact CB-CD 3.45Å; V284-Q312 HydrophobicContact CB-CG 3.65Å; V284-Q312 VanDerWaalsContact CG1-CD 3.45Å; V284-Q312 HydrophobicContact CG1-CG 4.14Å; V284-Q312 WeakPolarHBondContact CG2-O 3.49Å
285	V	46.6	Very low	44	Very low	96 Å²	96	108.9 Å²	108.9	58%	0.582	58%	0.584	S	S	*	*				-168.9	149.7	73.7	-146.6	0	0	0	0	110.5
286	E	51	Low	43.5	Very low	155 Å²	155	107.3 Å²	107.3	72%	0.724	58%	0.575	S	S	*	*				160.7	158.3	91.9	-78.1	-137.3	147.6	0	0	110.4
287	Q	49.7	Very low	43.2	Very low	128 Å²	128	108.5 Å²	108.5	60%	0.598	59%	0.59	S	S	*	*			cis	-161.7	131.7	-20.1	-103.6	-162	34.4	0	0	107
288	V	43.8	Very low	43	Very low	124 Å²	124	104.9 Å²	104.9	75%	0.752	58%	0.578	S	S	*	*				83.9	154.9	74.4	170.5	0	0	0	0	114.4
289	E	39.5	Very low	42.9	Very low	169 Å²	169	106.9 Å²	106.9	79%	0.79	59%	0.588	S	S	*	*			trans	81.9	131.4	-178.3	-55	-156.2	175.8	0	0	117.1
290	S	47.4	Very low	43	Very low	96 Å²	96	108.7 Å²	108.7	67%	0.671	59%	0.592	S	S	*	*	S	Bend	cis	-158.7	151	-9	-113.6	0	0	0	0	112
291	E	44.6	Very low	43.1	Very low	143 Å²	143	108.7 Å²	108.7	67%	0.668	58%	0.58	S	S	*	*	S	Bend	trans	58.1	84	-174.3	-36.5	-172	156.9	0	0	112.7
292	R	39.5	Very low	43.8	Very low	203 Å²	203	108.7 Å²	108.7	77%	0.766	59%	0.585	S	S	*	*	S	Bend	cis	-163.6	174.1	21.7	-41.7	87.3	-170.2	113.4	15.6	108.2
293	V	38.9	Very low	44.4	Very low	123 Å²	123	110.9 Å²	110.9	75%	0.745	60%	0.6	S	S	*	*			cis	175.9	128.5	-24.7	146.3	0	0	0	0	104.9
294	S	41	Very low	44.5	Very low	95 Å²	95	115.5 Å²	115.5	66%	0.664	62%	0.621	S	S	*	*			cis	86.1	121.8	23.4	81.5	0	0	0	0	115.3
295	V	31.5	Very low	44.5	Very low	119 Å²	119	116.6 Å²	116.6	72%	0.721	64%	0.635	S	S	*	*			cis	-149.3	161.7	10.3	-66.6	0	0	0	0	108
296	F	36.3	Very low	44	Very low	81 Å²	81	120 Å²	120	36%	0.355	65%	0.649	S	S	.	*			cis	79.1	132.4	32.7	-57	-158.3	0	0	0	112.8	P313 E314 R315 E316	F296-P313 HydrophobicContact CD1-CG 4.38Å; F296-E314 WeakPolarHBondContact CE1-O 3.19Å; F296-R315 HydrophobicContact CB-CG 4.39Å; F296-R315 HydrophobicContact CD1-CB 3.83Å; F296-R315 HydrophobicContact CD1-CG 4.39Å; F296-R315 HydrophobicContact CD2-CB 3.52Å; F296-R315 HydrophobicContact CD2-CG 3.86Å; F296-R315 HydrophobicContact CE1-CB 3.71Å; F296-R315 HydrophobicContact CE2-CB 3.4Å; F296-R315 VanDerWaalsContact CE2-CB 3.4Å; F296-R315 HydrophobicContact CE2-CG 4.23Å; F296-R315 HydrophobicContact CG-CB 3.74Å; F296-R315 HydrophobicContact CG-CG 3.95Å; F296-R315 HydrophobicContact CZ-CB 3.5Å; F296-R315 VanDerWaalsContact CZ-CB 3.5Å; F296-R315 WeakPolarHBondContact CZ-O 3.44Å; F296-E316 HydrophobicContact CE2-CB 4.34Å
297	A	46.4	Very low	43.2	Very low	67 Å²	67	117.1 Å²	117.1	55%	0.554	65%	0.652	S	S	*	*			trans	-170.7	115.1	-171.7	0	0	0	0	0	114.3	E314	A297-E314 WeakPolarHBondContact CA-OE2 3.23Å; A297-E314 PolarHBondContact N-OE2 2.97Å
298	P	44.7	Very low	42.5	Very low	62 Å²	62	119.2 Å²	119.2	40%	0.403	66%	0.661	S	S	.	*			trans	-115.4	162.4	-159.1	44.7	-40.5	0	0	0	118.4	E283	E283-P298 VanDerWaalsContact OE1-CG 3.25Å; E283-P298 WeakPolarHBondContact OE1-CG 3.1Å
299	V	47.7	Very low	42	Very low	64 Å²	64	119.5 Å²	119.5	39%	0.388	66%	0.663	S	S	.	*				27.6	133.1	120.6	-164.7	0	0	0	0	120.2	E281	E281-V299 HydrophobicContact CB-CG1 4.11Å; E281-V299 HydrophobicContact CG-CG1 3.23Å
300	E	48.1	Very low	41.8	Very low	181 Å²	181	114.8 Å²	114.8	85%	0.846	65%	0.653	S	S	*	*			trans	-173	134.8	169.9	178.4	-180	-99.8	0	0	113.4
301	L	47.9	Very low	41.3	Very low	80 Å²	80	114.2 Å²	114.2	42%	0.419	65%	0.654	S	S	.	*			cis	-179.9	177	-33.4	-111.9	172	0	0	0	113.4	E283	E283-L301 HydrophobicContact CB-CD1 4.36Å; E283-L301 HydrophobicContact CG-CD1 3.91Å
302	D	53.3	Low	40.5	Very low	133 Å²	133	109.8 Å²	109.8	71%	0.711	63%	0.633	S	S	*	*			trans	96.7	154.5	137.2	-96.6	-34.6	0	0	0	125.1
303	S	53.5	Low	40.4	Very low	87 Å²	87	102.6 Å²	102.6	61%	0.608	61%	0.613	S	S	*	*			cis	-160.1	-175.2	-6.8	-141.7	0	0	0	0	108.8
304	E	43.9	Very low	39.9	Very low	179 Å²	179	100.2 Å²	100.2	84%	0.836	59%	0.594	S	S	*	*			cis	-151.8	164.1	9.2	-103.8	-153	87.8	0	0	106.8
305	A	39.8	Very low	39.5	Very low	64 Å²	64	101.4 Å²	101.4	53%	0.529	58%	0.584	S	S	.	*			cis	-175.4	167.4	-21.2	0	0	0	0	0	112.6
306	L	36.3	Very low	39.6	Very low	168 Å²	168	101.5 Å²	101.5	88%	0.88	58%	0.577	S	S	*	*			trans	73.5	121.5	164.2	-44.6	-178.2	0	0	0	117.8
307	A	34.3	Very low	39.3	Very low	94 Å²	94	109 Å²	109	78%	0.777	60%	0.603	S	S	*	*			cis	-158.2	162.9	-8	0	0	0	0	0	107.6
308	E	33.6	Very low	38.4	Very low	172 Å²	172	113.8 Å²	113.8	80%	0.804	62%	0.618	S	S	*	*			cis	-157.7	131.1	29.5	-172.3	166.9	-152	0	0	110.3
309	T	34.8	Very low	37.9	Very low	130 Å²	130	116 Å²	116	80%	0.798	63%	0.63	S	S	*	*			trans	52.8	105.6	166.3	54.8	0	0	0	0	119.1
310	A	34.3	Very low	37.5	Very low	69 Å²	69	119.2 Å²	119.2	57%	0.57	64%	0.64	S	S	*	*				88.3	129.4	68.6	0	0	0	0	0	116.7	V284	V284-A310 WeakPolarHBondContact O-CB 3.18Å
311	A	37	Very low	37	Very low	84 Å²	84	119.1 Å²	119.1	69%	0.694	63%	0.633	S	S	*	*			trans	175.2	117.6	154.2	0	0	0	0	0	116.7	E283 V284	E283-A311 CarbonylContact O-C 3.45Å; E283-A311 VanDerWaalsContact O-CA 3.3Å; E283-A311 WeakPolarHBondContact O-CA 3.27Å; E283-A311 PolarHBondContact O-N 3Å; V284-A311 HydrophobicContact CG2-CB 4.45Å
312	Q	27.6	Very low	36.4	Very low	50 Å²	50	120.7 Å²	120.7	23%	0.234	65%	0.645	C	S	.	*			trans	-121	-166.1	168.7	70.5	43.9	-34.5	0	0	114.1	E283 V284	E283-Q312 VanDerWaalsContact C-CG 3.43Å; E283-Q312 HydrophobicContact CB-CG 4.41Å; E283-Q312 HydrophobicContact CG-CG 4.38Å; E283-Q312 PolarHBondContact O-N 2.83Å; E283-Q312 WeakPolarHBondContact OE1-CG 3.45Å; E283-Q312 PolarHBondContact OE1-NE2 3.13Å; E283-Q312 PolarHBondContact OE2-NE2 2.8Å; V284-Q312 HydrophobicContact CB-CB 4.13Å; V284-Q312 VanDerWaalsContact CB-CD 3.45Å; V284-Q312 HydrophobicContact CB-CG 3.65Å; V284-Q312 VanDerWaalsContact CG1-CD 3.45Å; V284-Q312 HydrophobicContact CG1-CG 4.14Å; V284-Q312 WeakPolarHBondContact CG2-O 3.49Å
313	P	37.6	Very low	35.5	Very low	52 Å²	52	118.3 Å²	118.3	34%	0.338	65%	0.652	S	S	.	*			cis	-131	-168.1	-19.8	41.7	-22.1	0	0	0	112.8	F296	F296-P313 HydrophobicContact CD1-CG 4.38Å
314	E	29	Very low	34.4	Very low	74 Å²	74	122.6 Å²	122.6	35%	0.346	66%	0.662	S	S	.	*			trans	38.2	154	130	-90.1	-166.4	101.8	0	0	122.9	F296 A297	F296-E314 WeakPolarHBondContact CE1-O 3.19Å; A297-E314 WeakPolarHBondContact CA-OE2 3.23Å; A297-E314 PolarHBondContact N-OE2 2.97Å
315	R	32.7	Very low	34	Very low	119 Å²	119	122.6 Å²	122.6	45%	0.449	67%	0.665	S	S	.	*			trans	82	131.3	138.4	-75.2	-109.9	-170.3	158.3	4.3	119.3	F296	F296-R315 HydrophobicContact CB-CG 4.39Å; F296-R315 HydrophobicContact CD1-CB 3.83Å; F296-R315 HydrophobicContact CD1-CG 4.39Å; F296-R315 HydrophobicContact CD2-CB 3.52Å; F296-R315 HydrophobicContact CD2-CG 3.86Å; F296-R315 HydrophobicContact CE1-CB 3.71Å; F296-R315 HydrophobicContact CE2-CB 3.4Å; F296-R315 VanDerWaalsContact CE2-CB 3.4Å; F296-R315 HydrophobicContact CE2-CG 4.23Å; F296-R315 HydrophobicContact CG-CB 3.74Å; F296-R315 HydrophobicContact CG-CG 3.95Å; F296-R315 HydrophobicContact CZ-CB 3.5Å; F296-R315 VanDerWaalsContact CZ-CB 3.5Å; F296-R315 WeakPolarHBondContact CZ-O 3.44Å
316	E	33.9	Very low	33.6	Very low	122 Å²	122	128.9 Å²	128.9	57%	0.57	68%	0.683	S	S	*	*			trans	62.1	99.7	149.4	-67.2	163.4	-154.2	0	0	113	F296	F296-E316 HydrophobicContact CE2-CB 4.34Å
317	R	29.8	Very low	33.5	Very low	239 Å²	239	125.2 Å²	125.2	90%	0.902	68%	0.677	S	S	*	*				48.9	127.8	92.2	-84.3	-176	154.2	143	-6.2	112.8
318	L	27.7	Very low	33.2	Very low	167 Å²	167	128.7 Å²	128.7	87%	0.874	68%	0.677	S	S	*	*			trans	83.6	134.8	173.7	-71	160.9	0	0	0	117.2
319	V	33.4	Very low	33.2	Very low	107 Å²	107	131 Å²	131	65%	0.648	68%	0.68	S	S	*	*			trans	81.6	112.2	145.9	168.4	0	0	0	0	118
320	E	39.7	Very low	32.9	Very low	132 Å²	132	128.3 Å²	128.3	62%	0.617	68%	0.679	S	S	*	*				19.6	142	126	-30.6	168.4	103.5	0	0	117.3
321	R	36.3	Very low	32.7	Very low	180 Å²	180	134 Å²	134	68%	0.679	69%	0.693	S	S	*	*			cis	-173.9	133.5	46.1	-173.2	171.2	-110.1	88.1	9.5	111
322	V	35.3	Very low	32.4	Very low	113 Å²	113	136.6 Å²	136.6	69%	0.685	70%	0.7	S	S	*	*			trans	29.7	127.4	146.1	-172.1	0	0	0	0	118.9	E324	V322-E324 HydrophobicContact CG1-CG 4.13Å; V322-E324 PolarHBondContact O-N 3.2Å
323	G	35.3	Very low	32.6	Very low	83 Å²	83	137.6 Å²	137.6	86%	0.856	72%	0.724	S	S	*	*			trans	-70.4	93.7	161.3	0	0	0	0	0	112.8
324	E	30.7	Very low	32.4	Very low	177 Å²	177	144.3 Å²	144.3	83%	0.827	75%	0.751	S	S	*	*			trans	-94.4	98.4	164.9	-81.2	-164.4	177.7	0	0	111.7	V322	V322-E324 HydrophobicContact CG1-CG 4.13Å; V322-E324 PolarHBondContact O-N 3.2Å
325	M	34.2	Very low	32.8	Very low	179 Å²	179	144.6 Å²	144.6	88%	0.882	77%	0.774	S	S	*	*			trans	-155.9	127.3	154.8	-147.2	171.6	-61.2	0	0	106.5
326	E	32.8	Very low	32.9	Very low	195 Å²	195	144.1 Å²	144.1	91%	0.911	78%	0.784	S	S	*	*	S	Bend	cis	-104.8	-174.4	27.1	-54.7	-170.9	113.9	0	0	115.6
327	A	32.7	Very low	33.1	Very low	91 Å²	91	146 Å²	146	75%	0.752	79%	0.791	S	S	*	*			trans	-127.6	156.4	-159	0	0	0	0	0	116.8
328	E	28.6	Very low	33.1	Very low	168 Å²	168	142.8 Å²	142.8	79%	0.785	79%	0.786	S	S	*	*			trans	74.3	149.7	162.9	-73.2	-159.7	111.4	0	0	121
329	Y	33.3	Very low	33.6	Very low	219 Å²	219	136.7 Å²	136.7	86%	0.859	76%	0.763	S	S	*	*			trans	72.3	102.1	179.2	-55.6	-74	0	0	0	117
330	G	29.2	Very low	33.6	Very low	75 Å²	75	136.4 Å²	136.4	77%	0.773	75%	0.754	S	S	*	*			cis	154.8	165.4	-7.4	0	0	0	0	0	114.5
331	E	30.8	Very low	33.5	Very low	187 Å²	187	133.4 Å²	133.4	87%	0.874	75%	0.745	S	S	*	*			trans	66.6	109.2	174.5	-73.6	-163.9	117.6	0	0	119.7
332	V	30.4	Very low	33.4	Very low	140 Å²	140	132.5 Å²	132.5	85%	0.848	75%	0.749	S	S	*	*			trans	75.4	101	137.4	-173.7	0	0	0	0	119.7
333	G	32.2	Very low	33.2	Very low	70 Å²	70	129 Å²	129	72%	0.722	73%	0.731	S	S	*	*				106.4	148.9	110.8	0	0	0	0	0	120.5
334	E	33.1	Very low	33.2	Very low	193 Å²	193	133.2 Å²	133.2	90%	0.902	73%	0.729	S	S	*	*			trans	62.7	75.1	151	-58.1	-173.2	161.3	0	0	120.8
335	G	37.7	Very low	33.5	Very low	81 Å²	81	129.1 Å²	129.1	84%	0.835	72%	0.72	S	S	*	*			trans	45.1	-149.5	144.9	0	0	0	0	0	118.9
336	V	34.7	Very low	33.4	Very low	109 Å²	109	125.1 Å²	125.1	66%	0.661	72%	0.715	S	S	*	*			cis	-145	127.3	-11.3	171.7	0	0	0	0	108
337	F	36.9	Very low	33.3	Very low	162 Å²	162	122.5 Å²	122.5	71%	0.711	71%	0.712	S	S	*	*				170.8	103.3	129	-93.6	-54.2	0	0	0	110.4	K1337	F337-K1337 HydrophobicContact CB-CD 4.01Å; F337-K1337 HydrophobicContact CD1-CD 3.77Å; F337-K1337 HydrophobicContact CD2-CD 4.42Å; F337-K1337 HydrophobicContact CE1-CD 4.31Å; F337-K1337 HydrophobicContact CG-CD 3.83Å
338	E	31.1	Very low	33.3	Very low	171 Å²	171	126.8 Å²	126.8	80%	0.799	72%	0.717	S	S	*	*			trans	-83.2	165.6	176.5	-68.3	141.2	134	0	0	112	I1336 K1337	E338-I1336 WeakPolarHBondContact O-CD1 3.3Å; E338-K1337 PolarHBondContact O-NZ 3.44Å
339	G	37.4	Very low	33.5	Very low	38 Å²	38	123.5 Å²	123.5	39%	0.392	71%	0.708	S	S	.	*			trans	140.3	169.1	159.8	0	0	0	0	0	117.2	I1336 E1468	G339-I1336 VanDerWaalsContact CA-CG2 3.45Å; G339-E1468 WeakPolarHBondContact CA-OE2 3.12Å
340	E	32.6	Very low	33.6	Very low	101 Å²	101	122.2 Å²	122.2	47%	0.472	71%	0.707	S	S	.	*			trans	-162.2	-90.1	-143.7	-90.4	174.3	-165.4	0	0	117.2	E1468 R1469	E340-E1468 VanDerWaalsContact C-OE1 3.23Å; E340-E1468 HydrophobicContact CB-CB 3.36Å; E340-E1468 HydrophobicContact CB-CG 4.1Å; E340-E1468 HydrophobicContact CG-CB 4.49Å; E340-E1468 PolarHBondContact N-OE1 2.73Å; E340-E1468 PolarHBondContact N-OE2 3.19Å; E340-R1469 VanDerWaalsContact C-CD 3.47Å; E340-R1469 HydrophobicContact CB-CB 3.73Å; E340-R1469 HydrophobicContact CB-CG 3.78Å; E340-R1469 HydrophobicContact CG-CB 3.88Å; E340-R1469 HydrophobicContact CG-CG 4.24Å; E340-R1469 WeakPolarHBondContact O-CD 3.33Å; E340-R1469 PolarHBondContact O-NE 2.84Å; E340-R1469 PolarHBondContact O-NH1 2.72Å; E340-R1469 PolarHBondContact O-NH2 3.5Å; E340-R1469 WeakPolarHBondContact OE2-CB 3.32Å; E340-R1469 PolarHBondContact OE2-N 2.94Å
341	T	37.6	Very low	34.2	Very low	70 Å²	70	121.8 Å²	121.8	43%	0.429	70%	0.703	S	S	.	*			trans	59.3	127.9	-174	17.4	0	0	0	0	118.8	E1468 R1469	T341-E1468 WeakPolarHBondContact CB-OE1 3.05Å; T341-E1468 HydrophobicContact CG2-CG 3.77Å; T341-E1468 WeakPolarHBondContact CG2-OE1 3.06Å; T341-E1468 VanDerWaalsContact N-CB 3.34Å; T341-E1468 PolarHBondContact N-OE1 2.7Å; T341-E1468 PolarHBondContact OG1-OE1 3.05Å; T341-R1469 VanDerWaalsContact O-CG 3.31Å; T341-R1469 WeakPolarHBondContact O-CG 3.47Å; T341-R1469 PolarHBondContact O-NE 2.86Å; T341-R1469 PolarHBondContact O-NH2 2.77Å; T341-R1469 VanDerWaalsContact O-NH2 3.15Å
342	E	34.3	Very low	34.6	Very low	161 Å²	161	120.6 Å²	120.6	75%	0.752	70%	0.697	S	S	*	*			cis	-165.1	143.7	-16.8	-179.2	170.3	-82.1	0	0	107.6
343	A	32.3	Very low	34.7	Very low	38 Å²	38	119.2 Å²	119.2	31%	0.314	69%	0.689	S	S	.	*			trans	-163.6	167	-175.2	0	0	0	0	0	119.1	L1470 E1471	A343-L1470 WeakPolarHBondContact CB-O 3.07Å; A343-E1471 HydrophobicContact CB-CB 4.39Å; A343-E1471 HydrophobicContact CB-CG 4.02Å
344	E	35.5	Very low	34.7	Very low	172 Å²	172	124.1 Å²	124.1	80%	0.804	70%	0.698	S	S	*	*			trans	-148.6	130	172.7	-79.7	-167.5	158.4	0	0	109.9
345	S	36	Very low	34.8	Very low	92 Å²	92	118.4 Å²	118.4	64%	0.643	69%	0.691	S	S	*	*				48.1	114.1	84.2	67.9	0	0	0	0	115.9
346	A	33.4	Very low	34.5	Very low	94 Å²	94	123.5 Å²	123.5	78%	0.777	69%	0.693	S	S	*	*				75.1	102.8	58.7	0	0	0	0	0	115.6
347	V	30.4	Very low	34.2	Very low	141 Å²	141	124.7 Å²	124.7	86%	0.855	70%	0.7	S	S	*	*			trans	29.1	114.1	146	-175.3	0	0	0	0	119.1
348	E	31.6	Very low	33.9	Very low	180 Å²	180	126 Å²	126	84%	0.841	71%	0.709	S	S	*	*				-150.9	122.6	126.3	-99	-150.8	160	0	0	113.1
349	V	32.5	Very low	34.2	Very low	99 Å²	99	122.8 Å²	122.8	60%	0.6	71%	0.711	S	S	*	*			trans	72.7	130.9	132.3	176.8	0	0	0	0	121
350	F	36.4	Very low	33.9	Very low	192 Å²	192	127.2 Å²	127.2	84%	0.842	73%	0.726	S	S	*	*			trans	67.2	111	179.1	-67.4	-61.9	0	0	0	117.3
351	G	41.8	Very low	34.1	Very low	66 Å²	66	124.3 Å²	124.3	68%	0.68	72%	0.719	S	S	*	*			cis	168.5	166.1	-7.6	0	0	0	0	0	115
352	E	38.1	Very low	33.7	Very low	162 Å²	162	128.1 Å²	128.1	76%	0.757	73%	0.732	S	S	*	*			trans	55.7	100.2	149.8	-70.6	160.3	-155.6	0	0	117.6
353	T	34	Very low	33.7	Very low	111 Å²	111	124.4 Å²	124.4	68%	0.681	72%	0.724	S	S	*	*				83.6	135.5	62.3	60.1	0	0	0	0	115
354	L	31.2	Very low	33.6	Very low	173 Å²	173	131 Å²	131	91%	0.906	75%	0.748	S	S	*	*			trans	54.2	154.9	137.7	-63.2	169.2	0	0	0	120.7
355	G	35.3	Very low	33.4	Very low	74 Å²	74	128 Å²	128	76%	0.763	74%	0.742	S	S	*	*			trans	123.9	113	143.1	0	0	0	0	0	115.6
356	Q	30.9	Very low	33.1	Very low	187 Å²	187	129.2 Å²	129.2	87%	0.874	75%	0.745	S	S	*	*	S	Bend	trans	-76.4	155.4	146	-61.2	-179.3	-56.8	0	0	108.7
357	V	29.4	Very low	33.2	Very low	134 Å²	134	131.5 Å²	131.5	81%	0.812	74%	0.739	S	S	*	*			trans	64	96.6	166	-159.1	0	0	0	0	116.5
358	E	30.1	Very low	33.5	Very low	190 Å²	190	129.2 Å²	129.2	89%	0.888	72%	0.719	S	S	*	*				174.6	102.8	116.1	-95.6	-162.7	178.8	0	0	111.2
359	A	37.5	Very low	33.8	Very low	103 Å²	103	124.4 Å²	124.4	85%	0.851	70%	0.702	S	S	*	*			trans	-174.8	117.6	149.2	0	0	0	0	0	110.7
360	D	31.7	Very low	33.7	Very low	132 Å²	132	125.9 Å²	125.9	71%	0.706	70%	0.703	S	S	*	*			trans	-69.8	142.9	164.7	-103.8	-29.2	0	0	0	110.9
361	A	36.8	Very low	33.8	Very low	40 Å²	40	120.6 Å²	120.6	33%	0.331	69%	0.69	S	S	.	*			trans	64.6	111.5	151.1	0	0	0	0	0	120.7	K1524	A361-K1524 HydrophobicContact CB-CB 3.47Å; A361-K1524 VanDerWaalsContact CB-CB 3.47Å; A361-K1524 HydrophobicContact CB-CD 3.98Å; A361-K1524 HydrophobicContact CB-CG 4.32Å; A361-K1524 VanDerWaalsContact O-CD 3.32Å; A361-K1524 WeakPolarHBondContact O-CD 3.31Å; A361-K1524 PolarHBondContact O-NZ 2.83Å
362	E	28.8	Very low	33.3	Very low	150 Å²	150	121 Å²	121	70%	0.701	67%	0.673	S	S	*	*			trans	66.3	158.5	131.8	-61.4	-175.2	166.6	0	0	119.7	K1524	E362-K1524 HydrophobicContact CB-CD 4.05Å; E362-K1524 PolarHBondContact O-NZ 2.82Å
363	S	34.1	Very low	33.2	Very low	83 Å²	83	121.9 Å²	121.9	58%	0.58	67%	0.67	S	S	*	*			trans	54.2	92.7	-179	71.1	0	0	0	0	113.7	K1524	S363-K1524 PolarHBondContact OG-NZ 3.24Å; S363-K1524 VanDerWaalsContact OG-NZ 3.1Å
364	E	29.8	Very low	33.1	Very low	175 Å²	175	122 Å²	122	82%	0.818	67%	0.67	S	S	*	*				72.2	159.3	75.3	-79.4	-163.8	107	0	0	114.3
365	V	31.5	Very low	32.9	Very low	111 Å²	111	119.2 Å²	119.2	67%	0.673	67%	0.665	S	S	*	*			trans	69.2	98.7	146.8	159.8	0	0	0	0	114.3
366	V	29.3	Very low	32.8	Very low	116 Å²	116	121.2 Å²	121.2	70%	0.703	66%	0.663	S	S	*	*				59.3	117.3	80	174.1	0	0	0	0	111.8
367	E	35.4	Very low	32.8	Very low	142 Å²	142	121.3 Å²	121.3	66%	0.664	66%	0.66	S	S	*	*			trans	-155.6	98.1	144	-129.3	-169.9	-137.5	0	0	113.9	V369 P1443	E367-V369 HydrophobicContact CG-CG2 3.9Å; E367-P1443 WeakPolarHBondContact O-CD 3.39Å
368	Q	36.3	Very low	33.1	Very low	93 Å²	93	118.5 Å²	118.5	44%	0.435	65%	0.651	S	S	.	*				-161.7	116.5	90.5	-95.5	140.7	82.1	0	0	109	P1443	Q368-P1443 HydrophobicContact CB-CG 4.47Å
369	V	39.7	Very low	33.2	Very low	80 Å²	80	114.9 Å²	114.9	49%	0.485	64%	0.644	S	S	.	*				64.7	114.4	83.2	171.6	0	0	0	0	108.4	E367	E367-V369 HydrophobicContact CG-CG2 3.9Å
370	E	29.4	Very low	32.7	Very low	130 Å²	130	115 Å²	115	61%	0.607	63%	0.634	S	S	*	*			cis	-97.2	136.3	33.3	-45.3	-174.1	136.6	0	0	112.6	T1399	E370-T1399 WeakPolarHBondContact CB-O 3.34Å; E370-T1399 VanDerWaalsContact OE2-CB 3.32Å; E370-T1399 WeakPolarHBondContact OE2-CB 3.09Å; E370-T1399 PolarHBondContact OE2-OG1 3.35Å
371	S	38	Very low	32.5	Very low	81 Å²	81	115.2 Å²	115.2	57%	0.566	63%	0.631	S	S	*	*			cis	64.7	60	44	-57.1	0	0	0	0	115.1
372	E	31.7	Very low	32.4	Very low	73 Å²	73	119.7 Å²	119.7	34%	0.341	65%	0.649	S	S	.	*				-175.2	150	125.4	-110.1	178.1	90.2	0	0	118.4	Y1397 T1398 T1399	E372-Y1397 VanDerWaalsContact OE1-C 3.28Å; E372-Y1397 WeakPolarHBondContact OE2-CA 3.36Å; E372-T1398 WeakPolarHBondContact OE1-CA 3.44Å; E372-T1398 WeakPolarHBondContact OE2-CA 3.4Å; E372-T1398 PolarHBondContact OE2-N 3.46Å; E372-T1399 PolarHBondContact OE2-N 3.25Å
373	R	35.9	Very low	32.3	Very low	182 Å²	182	119.6 Å²	119.6	69%	0.687	65%	0.653	S	S	*	*	S	Bend	trans	67.7	119.2	150.4	-73.8	175	-177.6	-122	-8	118.1	T1398	R373-T1398 VanDerWaalsContact CZ-CG2 3.45Å
374	V	33.1	Very low	32.4	Very low	112 Å²	112	121.8 Å²	121.8	68%	0.679	67%	0.668	S	S	*	*			cis	-143.7	121.1	-3.3	175.1	0	0	0	0	110.7	V376	V374-V376 HydrophobicContact CG1-CB 3.79Å; V374-V376 HydrophobicContact CG1-CG2 3.46Å; V374-V376 VanDerWaalsContact CG1-CG2 3.46Å
375	S	25.8	Very low	32.4	Very low	116 Å²	116	123 Å²	123	81%	0.811	67%	0.674	S	S	*	*			trans	-107	118.1	150.6	57.3	0	0	0	0	108.9
376	V	32.5	Very low	32.6	Very low	116 Å²	116	122.7 Å²	122.7	70%	0.703	68%	0.682	S	S	*	*			trans	-150.9	131.7	178.4	160.4	0	0	0	0	106.5	V374	V374-V376 HydrophobicContact CG1-CB 3.79Å; V374-V376 HydrophobicContact CG1-CG2 3.46Å; V374-V376 VanDerWaalsContact CG1-CG2 3.46Å
377	F	32	Very low	32.8	Very low	188 Å²	188	125.8 Å²	125.8	83%	0.825	69%	0.694	S	S	*	*			cis	-169.2	148.8	-20.8	-113	-89.8	0	0	0	102.8
378	A	34.8	Very low	32.8	Very low	75 Å²	75	123.3 Å²	123.3	62%	0.62	70%	0.698	S	S	*	*			cis	-168.7	159.9	-25.9	0	0	0	0	0	107
379	P	33.1	Very low	32.7	Very low	114 Å²	114	127 Å²	127	74%	0.74	72%	0.715	S	S	*	*			trans	-82.3	156.1	175.1	33.5	-34.9	0	0	0	113.4
380	V	27.8	Very low	32.3	Very low	105 Å²	105	129.2 Å²	129.2	64%	0.636	73%	0.729	S	S	*	*			trans	4.1	107.8	156.6	-175	0	0	0	0	117.6
381	E	27.6	Very low	32.6	Very low	138 Å²	138	127.5 Å²	127.5	65%	0.645	74%	0.737	S	S	*	*				-167	134.4	105.2	-99.5	-155.9	-163.1	0	0	115.3
382	L	33.7	Very low	32.4	Very low	134 Å²	134	127.9 Å²	127.9	70%	0.702	75%	0.746	S	S	*	*			trans	32.5	115.2	141.9	-56.7	176.8	0	0	0	123.5
383	D	26.7	Very low	32.3	Very low	148 Å²	148	133 Å²	133	79%	0.791	77%	0.769	S	S	*	*				50.3	107.4	127.7	-64.8	-10.7	0	0	0	122.9
384	S	35.6	Very low	32.6	Very low	128 Å²	128	128 Å²	128	90%	0.895	76%	0.761	S	S	*	*				-158.7	135.5	127.2	-83.6	0	0	0	0	112.5
385	E	30.1	Very low	32.6	Very low	202 Å²	202	129.1 Å²	129.1	94%	0.944	76%	0.759	S	S	*	*			trans	-74	130.4	-171.9	-50.9	170.9	109	0	0	114.3
386	A	37	Very low	33.3	Very low	103 Å²	103	129.2 Å²	129.2	85%	0.851	74%	0.741	S	S	*	*			trans	-158.3	115.6	157.1	0	0	0	0	0	114.5
387	L	32	Very low	33.6	Very low	181 Å²	181	128.5 Å²	128.5	95%	0.948	73%	0.73	S	S	*	*			trans	-63.4	131.1	174.3	-59.7	155.9	0	0	0	113.4
388	A	36	Very low	34	Very low	91 Å²	91	123.5 Å²	123.5	75%	0.752	71%	0.706	S	S	*	*				172.6	133.4	126.1	0	0	0	0	0	116.7
389	E	34.8	Very low	34.5	Very low	170 Å²	170	126.3 Å²	126.3	79%	0.794	71%	0.71	S	S	*	*			trans	54.6	102.7	142.6	-65.8	-165.1	116.5	0	0	124
390	T	31.2	Very low	35.2	Very low	127 Å²	127	124.7 Å²	124.7	78%	0.779	70%	0.697	S	S	*	*				87.1	148	121.9	63.7	0	0	0	0	123.5
391	A	35.8	Very low	35.7	Very low	94 Å²	94	123.1 Å²	123.1	78%	0.777	68%	0.683	S	S	*	*			trans	67.5	90.2	165.8	0	0	0	0	0	115.9
392	A	33.4	Very low	36.1	Very low	89 Å²	89	119.5 Å²	119.5	74%	0.736	66%	0.663	S	S	*	*				73.9	124.8	67.8	0	0	0	0	0	113.4
393	Q	30.4	Very low	36.4	Very low	179 Å²	179	118.5 Å²	118.5	84%	0.836	66%	0.663	S	S	*	*				63.1	153.9	71.7	-105.5	-157.8	-6.5	0	0	112.7
394	P	41.5	Very low	36.8	Very low	79 Å²	79	115.5 Å²	115.5	51%	0.513	67%	0.667	S	S	.	*			cis	-144.2	-178	19.3	43.6	-23.8	0	0	0	117.7
395	E	33.7	Very low	36.5	Very low	135 Å²	135	114 Å²	114	63%	0.631	65%	0.646	S	S	*	*			trans	70.9	151.9	139.2	-77.1	161.6	-134.1	0	0	119.9
396	R	39.7	Very low	36.6	Very low	118 Å²	118	109.2 Å²	109.2	45%	0.445	62%	0.624	S	S	.	*			cis	-170.3	174.5	6	-128.9	156.5	-168.3	-177.5	-8.7	116.9	E415	R396-E415 VanDerWaalsContact CD-CG 3.46Å; R396-E415 WeakPolarHBondContact CD-OE1 3.14Å; R396-E415 HydrophobicContact CG-CB 4.12Å; R396-E415 HydrophobicContact CG-CG 3.87Å; R396-E415 IonicContact CZ-OE1 3.49Å; R396-E415 IonicContact CZ-OE2 3.05Å; R396-E415 VanDerWaalsContact CZ-OE2 3.3Å; R396-E415 VanDerWaalsContact NE-CB 3.25Å; R396-E415 VanDerWaalsContact NE-CD 3.27Å; R396-E415 VanDerWaalsContact NE-CG 3.31Å; R396-E415 IonicContact NE-OE1 2.71Å; R396-E415 PolarHBondContact NE-OE1 3.11Å; R396-E415 IonicContact NE-OE2 3.25Å; R396-E415 IonicContact NH1-OE1 3.44Å; R396-E415 PolarHBondContact NH1-OE1 2.65Å; R396-E415 IonicContact NH1-OE2 2.76Å; R396-E415 PolarHBondContact NH1-OE2 3.14Å; R396-E415 IonicContact NH2-OE1 3.71Å; R396-E415 IonicContact NH2-OE2 3.8Å; R396-E415 PolarHBondContact NH2-OE2 3.44Å
397	E	39.7	Very low	36.4	Very low	100 Å²	100	107.3 Å²	107.3	47%	0.467	60%	0.598	S	S	.	*			trans	78.6	105.3	157	-65	-84.4	66.4	0	0	122.5	V413 G414 E415	E397-V413 CarbonylContact C-O 3.54Å; E397-G414 CarbonylContact C-O 3.51Å; E397-G414 VanDerWaalsContact CA-C 3.5Å; E397-G414 VanDerWaalsContact CA-O 3.28Å; E397-G414 WeakPolarHBondContact CA-O 3.17Å; E397-G414 VanDerWaalsContact N-CA 3.35Å; E397-E415 HydrophobicContact CG-CG 3.95Å; E397-E415 VanDerWaalsContact OE1-CG 3.23Å; E397-E415 WeakPolarHBondContact OE1-CG 3.26Å; E397-E415 PolarHBondContact OE1-N 2.85Å
398	R	38.8	Very low	36.2	Very low	83 Å²	83	103.2 Å²	103.2	31%	0.313	59%	0.59	S	S	.	*				41.8	154.2	115.2	-100.8	168.2	-144	130.9	-3.3	119.9	E412 V413 G414 E415	R398-E412 HydrophobicContact CG-CB 4.31Å; R398-E412 HydrophobicContact CG-CG 4.22Å; R398-E412 IonicContact CZ-OE1 2.74Å; R398-E412 IonicContact CZ-OE2 3.24Å; R398-E412 IonicContact NE-OE1 2.72Å; R398-E412 PolarHBondContact NE-OE1 2.84Å; R398-E412 IonicContact NE-OE2 3.45Å; R398-E412 IonicContact NH2-OE1 3.53Å; R398-E412 PolarHBondContact NH2-OE1 3.02Å; R398-E412 IonicContact NH2-OE2 3.84Å; R398-E412 PolarHBondContact NH2-OE2 3.38Å; R398-V413 PolarHBondContact N-O 2.77Å; R398-G414 WeakPolarHBondContact CB-O 3.17Å; R398-G414 WeakPolarHBondContact CG-O 3.49Å; R398-G414 PolarHBondContact N-O 3.15Å; R398-E415 VanDerWaalsContact NH1-N 3.12Å
399	L	44.9	Very low	35.9	Very low	135 Å²	135	103.1 Å²	103.1	71%	0.707	57%	0.574	S	S	*	*			cis	-159.6	129.3	32.1	-141.2	121.3	0	0	0	105.7
400	V	48	Very low	35.9	Very low	79 Å²	79	101.8 Å²	101.8	48%	0.479	56%	0.563	S	S	.	*				73.7	138.3	88.1	155.4	0	0	0	0	114.3
401	E	40	Very low	35.9	Very low	72 Å²	72	98.1 Å²	98.1	34%	0.336	55%	0.55	S	S	.	*			cis	-172.8	176.3	-3.3	-102.5	-176.7	158.1	0	0	111.6	Y410	E401-Y410 WeakPolarHBondContact OE1-CD1 3.36Å; E401-Y410 WeakPolarHBondContact OE2-CE1 3.32Å
402	R	35.2	Very low	36	Very low	62 Å²	62	97.2 Å²	97.2	23%	0.234	53%	0.53	C	S	.	.			trans	21.1	144.7	135	-66.4	92.1	-177.7	145.5	27.3	119.2	M406 E407	R402-M406 HydrophobicContact CB-CE 4.31Å; R402-M406 HydrophobicContact CG-CE 3.99Å; R402-M406 HydrophobicContact CG-CG 4.4Å; R402-E407 WeakPolarHBondContact CA-OE1 3.21Å; R402-E407 WeakPolarHBondContact CD-OE2 3.34Å; R402-E407 HydrophobicContact CG-CB 3.73Å; R402-E407 VanDerWaalsContact CG-CD 3.47Å; R402-E407 HydrophobicContact CG-CG 4.15Å; R402-E407 WeakPolarHBondContact CG-OE1 3.34Å; R402-E407 IonicContact CZ-OE2 3.63Å; R402-E407 PolarHBondContact N-OE1 3.39Å; R402-E407 PolarHBondContact N-OE2 3.34Å; R402-E407 PolarHBondContact NE-O 2.9Å; R402-E407 IonicContact NE-OE2 3.76Å; R402-E407 PolarHBondContact NE-OE2 3.35Å; R402-E407 VanDerWaalsContact NE-OE2 3.09Å; R402-E407 IonicContact NH1-OE2 3.83Å; R402-E407 PolarHBondContact NH1-OE2 2.73Å; R402-E407 PolarHBondContact NH2-O 3.24Å; R402-E407 IonicContact NH2-OE2 2.71Å
403	V	40.1	Very low	35.8	Very low	113 Å²	113	99.3 Å²	99.3	69%	0.685	53%	0.533	S	S	*	.	S	Bend	cis	-136.9	79	22.2	-170.6	0	0	0	0	111.2	E405 M406	V403-E405 VanDerWaalsContact CA-O 3.28Å; V403-E405 WeakPolarHBondContact CA-O 3.41Å; V403-E405 WeakPolarHBondContact CG1-O 3.36Å; V403-M406 HydrophobicContact CG1-CB 4.46Å; V403-M406 HydrophobicContact CG2-CE 4.36Å
404	G	34.1	Very low	36.1	Very low	85 Å²	85	91.1 Å²	91.1	88%	0.876	50%	0.497	S	S	*	.	S	Bend	trans	-87.5	-21.4	148.6	0	0	0	0	0	111.2
405	E	30.9	Very low	36.1	Very low	98 Å²	98	91.4 Å²	91.4	46%	0.458	49%	0.491	S	S	.	.	S	Bend	trans	-130.4	155.2	169.4	-65.5	169.3	-137	0	0	106.9	V403 E407 L1555	V403-E405 VanDerWaalsContact CA-O 3.28Å; V403-E405 WeakPolarHBondContact CA-O 3.41Å; V403-E405 WeakPolarHBondContact CG1-O 3.36Å; E405-E407 HydrophobicContact CB-CB 3.53Å; E405-E407 HydrophobicContact CB-CG 3.99Å; E405-E407 WeakPolarHBondContact O-CB 3.43Å; E405-L1555 WeakPolarHBondContact OE1-CD1 3.16Å
406	M	30.8	Very low	36.4	Very low	100 Å²	100	86.2 Å²	86.2	49%	0.493	47%	0.474	S	S	.	.			trans	-119.9	74.7	141.8	-160.6	158.4	-114	0	0	104.1	R402 V403 A408 E409	R402-M406 HydrophobicContact CB-CE 4.31Å; R402-M406 HydrophobicContact CG-CE 3.99Å; R402-M406 HydrophobicContact CG-CG 4.4Å; V403-M406 HydrophobicContact CG1-CB 4.46Å; V403-M406 HydrophobicContact CG2-CE 4.36Å; M406-A408 PolarHBondContact O-N 3.34Å; M406-E409 HydrophobicContact CE-CG 3.95Å; M406-E409 VanDerWaalsContact CE-OE1 3.31Å; M406-E409 WeakPolarHBondContact CE-OE1 3.33Å; M406-E409 HydrophobicContact CG-CG 4.05Å; M406-E409 HydrophobicContact SD-CG 4.2Å
407	E	32.4	Very low	36.4	Very low	64 Å²	64	86.1 Å²	86.1	30%	0.299	49%	0.486	S	S	.	.				47.1	49.2	62.1	-138.7	-167	-60.4	0	0	106.1	R402 E405 E409	R402-E407 WeakPolarHBondContact CA-OE1 3.21Å; R402-E407 WeakPolarHBondContact CD-OE2 3.34Å; R402-E407 HydrophobicContact CG-CB 3.73Å; R402-E407 VanDerWaalsContact CG-CD 3.47Å; R402-E407 HydrophobicContact CG-CG 4.15Å; R402-E407 WeakPolarHBondContact CG-OE1 3.34Å; R402-E407 IonicContact CZ-OE2 3.63Å; R402-E407 PolarHBondContact N-OE1 3.39Å; R402-E407 PolarHBondContact N-OE2 3.34Å; R402-E407 PolarHBondContact NE-O 2.9Å; R402-E407 IonicContact NE-OE2 3.76Å; R402-E407 PolarHBondContact NE-OE2 3.35Å; R402-E407 VanDerWaalsContact NE-OE2 3.09Å; R402-E407 IonicContact NH1-OE2 3.83Å; R402-E407 PolarHBondContact NH1-OE2 2.73Å; R402-E407 PolarHBondContact NH2-O 3.24Å; R402-E407 IonicContact NH2-OE2 2.71Å; E405-E407 HydrophobicContact CB-CB 3.53Å; E405-E407 HydrophobicContact CB-CG 3.99Å; E405-E407 WeakPolarHBondContact O-CB 3.43Å; E407-E409 VanDerWaalsContact O-CA 3.29Å; E407-E409 WeakPolarHBondContact O-CA 3.4Å
408	A	28.7	Very low	36.4	Very low	94 Å²	94	90.7 Å²	90.7	78%	0.777	51%	0.505	S	S	*	.	S	Bend	trans	-96.1	110.1	-164	0	0	0	0	0	111.9	M406	M406-A408 PolarHBondContact O-N 3.34Å
409	E	30.4	Very low	36.1	Very low	89 Å²	89	95.7 Å²	95.7	42%	0.416	53%	0.532	S	S	.	.	S	Bend	cis	-160.6	134.8	-11.6	-144	-174.7	147.9	0	0	107.5	M406 E407	M406-E409 HydrophobicContact CE-CG 3.95Å; M406-E409 VanDerWaalsContact CE-OE1 3.31Å; M406-E409 WeakPolarHBondContact CE-OE1 3.33Å; M406-E409 HydrophobicContact CG-CG 4.05Å; M406-E409 HydrophobicContact SD-CG 4.2Å; E407-E409 VanDerWaalsContact O-CA 3.29Å; E407-E409 WeakPolarHBondContact O-CA 3.4Å
410	Y	34.6	Very low	35.8	Very low	143 Å²	143	92.3 Å²	92.3	56%	0.561	53%	0.53	S	S	*	.			trans	61.7	134.7	-175.3	-41.2	-79.2	0	0	0	115	E401	E401-Y410 WeakPolarHBondContact OE1-CD1 3.36Å; E401-Y410 WeakPolarHBondContact OE2-CE1 3.32Å
411	G	31.4	Very low	35.2	Very low	50 Å²	50	97.6 Å²	97.6	52%	0.515	55%	0.549	S	S	.	.			cis	151.6	-161.1	-1	0	0	0	0	0	111.5
412	E	38.1	Very low	35.1	Very low	75 Å²	75	100.5 Å²	100.5	35%	0.35	57%	0.572	S	S	.	*			trans	52.6	101.9	148.5	-42.4	-167.1	139.2	0	0	121	R398	R398-E412 HydrophobicContact CG-CB 4.31Å; R398-E412 HydrophobicContact CG-CG 4.22Å; R398-E412 IonicContact CZ-OE1 2.74Å; R398-E412 IonicContact CZ-OE2 3.24Å; R398-E412 IonicContact NE-OE1 2.72Å; R398-E412 PolarHBondContact NE-OE1 2.84Å; R398-E412 IonicContact NE-OE2 3.45Å; R398-E412 IonicContact NH2-OE1 3.53Å; R398-E412 PolarHBondContact NH2-OE1 3.02Å; R398-E412 IonicContact NH2-OE2 3.84Å; R398-E412 PolarHBondContact NH2-OE2 3.38Å
413	V	28.4	Very low	35	Very low	133 Å²	133	106.5 Å²	106.5	81%	0.806	60%	0.603	S	S	*	*	S	Bend	trans	-134.2	121.9	145.9	-171.8	0	0	0	0	110.7	E397 R398	E397-V413 CarbonylContact C-O 3.54Å; R398-V413 PolarHBondContact N-O 2.77Å
414	G	37.4	Very low	34.7	Very low	7 Å²	7	105.8 Å²	105.8	7%	0.072	61%	0.609	C	S	.	*	S	Bend	cis	-83.6	-153.3	-27.4	0	0	0	0	0	111	E397 R398 G416	E397-G414 CarbonylContact C-O 3.51Å; E397-G414 VanDerWaalsContact CA-C 3.5Å; E397-G414 VanDerWaalsContact CA-O 3.28Å; E397-G414 WeakPolarHBondContact CA-O 3.17Å; E397-G414 VanDerWaalsContact N-CA 3.35Å; R398-G414 WeakPolarHBondContact CB-O 3.17Å; R398-G414 WeakPolarHBondContact CG-O 3.49Å; R398-G414 PolarHBondContact N-O 3.15Å; G414-G416 VanDerWaalsContact CA-N 3.31Å
415	E	39.7	Very low	35	Very low	84 Å²	84	111.2 Å²	111.2	39%	0.393	61%	0.611	S	S	.	*	S	Bend	cis	-59.6	-1.9	-16.8	-58.5	-139.2	133.3	0	0	114.2	R396 E397 R398	R396-E415 VanDerWaalsContact CD-CG 3.46Å; R396-E415 WeakPolarHBondContact CD-OE1 3.14Å; R396-E415 HydrophobicContact CG-CB 4.12Å; R396-E415 HydrophobicContact CG-CG 3.87Å; R396-E415 IonicContact CZ-OE1 3.49Å; R396-E415 IonicContact CZ-OE2 3.05Å; R396-E415 VanDerWaalsContact CZ-OE2 3.3Å; R396-E415 VanDerWaalsContact NE-CB 3.25Å; R396-E415 VanDerWaalsContact NE-CD 3.27Å; R396-E415 VanDerWaalsContact NE-CG 3.31Å; R396-E415 IonicContact NE-OE1 2.71Å; R396-E415 PolarHBondContact NE-OE1 3.11Å; R396-E415 IonicContact NE-OE2 3.25Å; R396-E415 IonicContact NH1-OE1 3.44Å; R396-E415 PolarHBondContact NH1-OE1 2.65Å; R396-E415 IonicContact NH1-OE2 2.76Å; R396-E415 PolarHBondContact NH1-OE2 3.14Å; R396-E415 IonicContact NH2-OE1 3.71Å; R396-E415 IonicContact NH2-OE2 3.8Å; R396-E415 PolarHBondContact NH2-OE2 3.44Å; E397-E415 HydrophobicContact CG-CG 3.95Å; E397-E415 VanDerWaalsContact OE1-CG 3.23Å; E397-E415 WeakPolarHBondContact OE1-CG 3.26Å; E397-E415 PolarHBondContact OE1-N 2.85Å; R398-E415 VanDerWaalsContact NH1-N 3.12Å
416	G	40.6	Very low	35	Very low	26 Å²	26	110.1 Å²	110.1	27%	0.268	62%	0.615	S	S	.	*			trans	65.4	-154.8	163.7	0	0	0	0	0	114.2	G414	G414-G416 VanDerWaalsContact CA-N 3.31Å
417	V	40	Very low	35.1	Very low	116 Å²	116	108 Å²	108	70%	0.703	61%	0.614	S	S	*	*			cis	-162.4	168.8	4.1	92.7	0	0	0	0	108.6
418	F	39	Very low	35.1	Very low	197 Å²	197	108.2 Å²	108.2	86%	0.864	62%	0.619	S	S	*	*			trans	72.5	90.5	-177.9	-82.5	-73	0	0	0	116.6
419	E	32.8	Very low	35.3	Very low	187 Å²	187	112 Å²	112	87%	0.874	62%	0.621	S	S	*	*			trans	-72.4	163.4	131.2	-86.8	-169.8	146.2	0	0	111.1
420	G	38.5	Very low	35.2	Very low	65 Å²	65	113.4 Å²	113.4	67%	0.67	64%	0.635	S	S	*	*			trans	-172.5	128.9	165.9	0	0	0	0	0	111.1
421	E	36.7	Very low	35	Very low	189 Å²	189	116.5 Å²	116.5	88%	0.883	65%	0.652	S	S	*	*	S	Bend	trans	73.5	143.4	-177	-50.7	-176.2	155.8	0	0	114.8
422	T	38	Very low	35.2	Very low	133 Å²	133	117.6 Å²	117.6	82%	0.816	66%	0.663	S	S	*	*			trans	70.3	145.5	-170.7	73.2	0	0	0	0	114.5
423	E	33	Very low	35.1	Very low	188 Å²	188	122.2 Å²	122.2	88%	0.879	68%	0.684	S	S	*	*			cis	-130.7	157.9	-10.6	-68.2	-168.5	145.8	0	0	110.4
424	A	32.4	Very low	35.1	Very low	99 Å²	99	121.3 Å²	121.3	82%	0.818	68%	0.679	S	S	*	*			trans	173	106.1	144.8	0	0	0	0	0	111.4
425	E	41.6	Very low	35.1	Very low	198 Å²	198	129.4 Å²	129.4	93%	0.925	72%	0.72	S	S	*	*			trans	-139.7	114.7	149.6	-86.7	-166.5	177.2	0	0	110.2
426	S	30.5	Very low	35	Very low	75 Å²	75	128.7 Å²	128.7	52%	0.524	74%	0.735	S	S	.	*			trans	-133.5	146.9	155.8	81.2	0	0	0	0	105.6	S1549	S426-S1549 VanDerWaalsContact OG-CB 3.25Å; S426-S1549 WeakPolarHBondContact OG-CB 3.48Å; S426-S1549 PolarHBondContact OG-OG 3.13Å
427	A	33.3	Very low	34.4	Very low	57 Å²	57	136.4 Å²	136.4	47%	0.471	76%	0.764	S	S	.	*			trans	71.9	151.2	-167.5	0	0	0	0	0	114
428	V	31.5	Very low	34.2	Very low	68 Å²	68	136.7 Å²	136.7	41%	0.412	77%	0.766	S	S	.	*			cis	-153.6	-177.2	-16.8	120	0	0	0	0	109.1	E1545	V428-E1545 HydrophobicContact CG1-CB 4.08Å; V428-E1545 VanDerWaalsContact CG1-CD 3.44Å; V428-E1545 HydrophobicContact CG1-CG 3.83Å
429	E	32.6	Very low	34.1	Very low	174 Å²	174	135.9 Å²	135.9	81%	0.813	77%	0.765	S	S	*	*			trans	-63.1	-175.8	-175.5	-60.3	-161.9	121.1	0	0	117.9
430	V	29.4	Very low	34.2	Very low	117 Å²	117	130.9 Å²	130.9	71%	0.709	76%	0.755	S	S	*	*			trans	102.4	98.2	153.3	-166.5	0	0	0	0	118	G432	V430-G432 PolarHBondContact O-N 3.14Å
431	F	29.4	Very low	34.1	Very low	209 Å²	209	135.7 Å²	135.7	92%	0.917	77%	0.766	S	S	*	*			trans	35.2	72.9	145.4	-91.7	-83.8	0	0	0	119.6
432	G	36.4	Very low	34.3	Very low	73 Å²	73	130.9 Å²	130.9	75%	0.753	76%	0.758	S	S	*	*			trans	-100.4	107.8	158.2	0	0	0	0	0	113	V430	V430-G432 PolarHBondContact O-N 3.14Å
433	E	35.6	Very low	34	Very low	172 Å²	172	133 Å²	133	80%	0.804	76%	0.759	S	S	*	*			trans	26.1	106.8	158.7	-58.4	-162	150.9	0	0	119.2
434	T	29.8	Very low	34.3	Very low	113 Å²	113	129.7 Å²	129.7	69%	0.693	76%	0.757	S	S	*	*				62.8	152.4	79.1	73.8	0	0	0	0	117
435	L	35.8	Very low	34.5	Very low	177 Å²	177	133.6 Å²	133.6	93%	0.927	76%	0.758	S	S	*	*			trans	69.1	160.2	-170.4	-43.5	177.9	0	0	0	111.2
436	G	38.8	Very low	34.2	Very low	69 Å²	69	130.5 Å²	130.5	71%	0.711	75%	0.752	S	S	*	*			cis	169.3	137.8	-2	0	0	0	0	0	109.3
437	Q	27.2	Very low	34.2	Very low	188 Å²	188	133.5 Å²	133.5	88%	0.879	77%	0.767	S	S	*	*			trans	-46.3	164.4	175.5	-57.7	169	-28.4	0	0	114.4
438	V	36.2	Very low	34.1	Very low	122 Å²	122	138.5 Å²	138.5	74%	0.739	78%	0.78	S	S	*	*			trans	88.1	124.5	170.5	-175.6	0	0	0	0	112.6
439	E	36.3	Very low	34.3	Very low	181 Å²	181	143.4 Å²	143.4	85%	0.846	80%	0.799	S	S	*	*			cis	-147.2	-168.5	5.3	-137.3	155.7	-152.5	0	0	112.9
440	A	34.4	Very low	34.2	Very low	81 Å²	81	141.3 Å²	141.3	67%	0.669	80%	0.798	S	S	*	*			trans	-61.6	161.4	180	0	0	0	0	0	113.1
441	D	36.3	Very low	34.4	Very low	167 Å²	167	144.2 Å²	144.2	89%	0.893	80%	0.803	S	S	*	*				-149	168.6	64.8	-96.4	-36.2	0	0	0	115.8
442	A	40.7	Very low	34.6	Very low	88 Å²	88	138.7 Å²	138.7	73%	0.727	79%	0.791	S	S	*	*			trans	-69.2	170.6	175.7	0	0	0	0	0	112.6
443	E	32.6	Very low	34.6	Very low	178 Å²	178	141.8 Å²	141.8	83%	0.832	79%	0.786	S	S	*	*			cis	-151.7	155	31.3	-58.4	176.3	148.6	0	0	112.9
444	S	39.3	Very low	34.5	Very low	118 Å²	118	142.9 Å²	142.9	83%	0.825	78%	0.782	S	S	*	*			trans	69.3	141.8	159	76.3	0	0	0	0	118.8
445	E	36.8	Very low	34.6	Very low	181 Å²	181	143.9 Å²	143.9	85%	0.846	79%	0.788	S	S	*	*			cis	-151.2	104	-10.2	-165.9	163.1	-146.7	0	0	112.4
446	V	36	Very low	34.6	Very low	133 Å²	133	140.2 Å²	140.2	81%	0.806	78%	0.778	S	S	*	*			trans	51.3	85.6	149.9	-164.4	0	0	0	0	120
447	V	29.5	Very low	34.2	Very low	137 Å²	137	144.2 Å²	144.2	83%	0.83	79%	0.788	S	S	*	*				-141.9	170.1	128.5	-167.7	0	0	0	0	107.3
448	E	31.9	Very low	34.6	Very low	162 Å²	162	143.7 Å²	143.7	76%	0.757	78%	0.783	S	S	*	*			trans	90.2	155.7	166.8	-66.1	-104.8	111.3	0	0	119.8
449	Q	35	Very low	34.8	Very low	171 Å²	171	141.2 Å²	141.2	80%	0.799	78%	0.775	S	S	*	*			trans	67	100.4	176.9	-56.5	-174.1	6	0	0	115.5
450	V	30.6	Very low	34.9	Very low	130 Å²	130	138.6 Å²	138.6	79%	0.788	77%	0.774	S	S	*	*			cis	78.9	156.1	43.2	-169.3	0	0	0	0	112.4
451	E	33.8	Very low	34.9	Very low	178 Å²	178	140.9 Å²	140.9	83%	0.832	78%	0.779	S	S	*	*			trans	81.4	134.5	-176.6	-63.2	-164.1	-179.6	0	0	117.7
452	S	32.7	Very low	34.6	Very low	93 Å²	93	140 Å²	140	65%	0.65	77%	0.77	S	S	*	*			cis	-168.9	153.6	-19.7	-119.3	0	0	0	0	111.2
453	E	36.8	Very low	34.3	Very low	138 Å²	138	140.9 Å²	140.9	65%	0.645	76%	0.761	S	S	*	*			trans	64.5	149.4	151.4	-66.3	-166.7	133.6	0	0	119.5
454	R	34.3	Very low	34.1	Very low	195 Å²	195	139 Å²	139	74%	0.736	75%	0.753	S	S	*	*			cis	-154.5	124.9	3.7	-121.9	161	-159.5	166.9	16.4	109.5
455	V	30.6	Very low	33.7	Very low	135 Å²	135	139.1 Å²	139.1	82%	0.818	75%	0.753	S	S	*	*	S	Bend	trans	67.3	144.7	164.9	-173.7	0	0	0	0	117.4
456	S	36.3	Very low	33.6	Very low	100 Å²	100	139.9 Å²	139.9	70%	0.699	76%	0.757	S	S	*	*			trans	61.9	98.3	175.7	58	0	0	0	0	116.5
457	V	30.9	Very low	33.7	Very low	152 Å²	152	138.4 Å²	138.4	92%	0.921	76%	0.759	S	S	*	*			trans	-74.1	126.8	172.3	-179	0	0	0	0	109.7
458	F	35.9	Very low	34.1	Very low	178 Å²	178	140.7 Å²	140.7	78%	0.781	77%	0.765	S	S	*	*			trans	-144.8	125	179.7	-114	-78.7	0	0	0	112.1
459	A	39.6	Very low	34.5	Very low	69 Å²	69	138 Å²	138	57%	0.57	77%	0.771	S	S	*	*			trans	30.5	139.3	150	0	0	0	0	0	120.9
460	P	37.9	Very low	34.8	Very low	127 Å²	127	137.2 Å²	137.2	83%	0.825	77%	0.767	S	S	*	*	S	Bend		-146.3	134.7	92.1	34.7	-18.7	0	0	0	114.9
461	V	34.5	Very low	35.1	Very low	129 Å²	129	136.7 Å²	136.7	78%	0.782	77%	0.765	S	S	*	*			cis	-138.1	147.4	-13.7	166.3	0	0	0	0	107
462	E	30.4	Very low	35.2	Very low	148 Å²	148	133.3 Å²	133.3	69%	0.692	77%	0.767	S	S	*	*			trans	-24.8	131.3	178.6	-69.5	176.6	166.6	0	0	119
463	L	33.8	Very low	35.4	Very low	106 Å²	106	133.8 Å²	133.8	56%	0.555	78%	0.776	S	S	*	*				58.5	141	123.5	-48.7	177.1	0	0	0	119
464	E	30.2	Very low	35.2	Very low	139 Å²	139	136.3 Å²	136.3	65%	0.65	79%	0.788	S	S	*	*			cis	-159.2	146.6	4.9	-130.6	157.4	-157.3	0	0	110.5
465	S	30.4	Very low	35.5	Very low	120 Å²	120	132 Å²	132	84%	0.839	79%	0.786	S	S	*	*			trans	40.8	74.4	159.5	61	0	0	0	0	118.7
466	E	33.4	Very low	35.7	Very low	197 Å²	197	133.6 Å²	133.6	92%	0.921	78%	0.784	S	S	*	*			trans	-107.9	130.4	154.1	-77.8	-171.5	162.2	0	0	110.2
467	A	39.6	Very low	35.4	Very low	103 Å²	103	138.8 Å²	138.8	85%	0.851	79%	0.788	S	S	*	*			trans	-160.8	57.4	162.4	0	0	0	0	0	111.3
468	L	37.1	Very low	35.6	Very low	184 Å²	184	137.3 Å²	137.3	96%	0.963	77%	0.771	S	S	*	*			trans	-71.5	140.8	157.5	-67.3	173.3	0	0	0	108.3
469	A	41.5	Very low	35.7	Very low	106 Å²	106	136.8 Å²	136.8	88%	0.876	76%	0.764	S	S	*	*			trans	-122.2	123.2	179.3	0	0	0	0	0	111.1
470	E	39.7	Very low	35.4	Very low	154 Å²	154	139.8 Å²	139.8	72%	0.72	77%	0.77	S	S	*	*			trans	-116.2	119.3	-178.3	-162.8	177.8	-151	0	0	112
471	T	37.6	Very low	35.4	Very low	120 Å²	120	137.3 Å²	137.3	74%	0.736	75%	0.752	S	S	*	*			trans	38.8	108.1	158.1	65.2	0	0	0	0	121.7
472	A	36	Very low	35.5	Very low	106 Å²	106	135.7 Å²	135.7	88%	0.876	74%	0.736	S	S	*	*				51.9	119	118.9	0	0	0	0	0	122.4
473	A	37.6	Very low	35.8	Very low	103 Å²	103	135.8 Å²	135.8	85%	0.851	73%	0.73	S	S	*	*				-162.8	142.4	117	0	0	0	0	0	112.3
474	Q	32.3	Very low	36	Very low	191 Å²	191	132.8 Å²	132.8	89%	0.893	72%	0.716	S	S	*	*			trans	-89.4	-177.3	176.7	-49.4	178.5	-63.8	0	0	111
475	P	40.3	Very low	36.7	Very low	105 Å²	105	128.8 Å²	128.8	68%	0.682	71%	0.713	S	S	*	*			cis	-136.9	157.7	-2.7	39.4	-21.9	0	0	0	116.9
476	E	33.8	Very low	36.9	Very low	168 Å²	168	130.9 Å²	130.9	79%	0.785	71%	0.709	S	S	*	*				179.9	143.2	105.4	-100.1	-175.9	-151.8	0	0	112.8
477	R	31.9	Very low	37.1	Very low	209 Å²	209	127 Å²	127	79%	0.789	69%	0.692	S	S	*	*			trans	59.3	135.8	162.5	-82.1	179.9	158.6	149.6	-10	122.5
478	E	35.1	Very low	37.1	Very low	121 Å²	121	131.1 Å²	131.1	57%	0.565	69%	0.694	S	S	*	*			trans	73	127.5	147.5	-72	-177.5	-130.1	0	0	123.5	W1696	E478-W1696 VanDerWaalsContact O-CE2 3.28Å; E478-W1696 WeakPolarHBondContact O-CZ2 3.02Å; E478-W1696 PolarHBondContact O-NE1 2.97Å
479	R	37.3	Very low	37	Very low	168 Å²	168	126.5 Å²	126.5	63%	0.634	68%	0.682	S	S	*	*	S	Bend	trans	81.9	64	150.1	-72.6	-179.5	157.5	95.1	-4.2	121.7	W1696	R479-W1696 WeakPolarHBondContact O-CB 3.48Å; R479-W1696 PolarHBondContact O-NE1 2.64Å
480	L	33.5	Very low	36.8	Very low	131 Å²	131	130.6 Å²	130.6	69%	0.686	68%	0.683	S	S	*	*				84.5	46.3	126.7	-125.1	171.5	0	0	0	120.6
481	V	37.2	Very low	36.8	Very low	75 Å²	75	134 Å²	134	46%	0.455	69%	0.691	S	S	.	*			trans	56.8	168.9	139.6	77.5	0	0	0	0	119	W1696 R1697 D1698	V481-W1696 HydrophobicContact CB-CE3 4.41Å; V481-W1696 HydrophobicContact CB-CZ3 4.4Å; V481-W1696 WeakPolarHBondContact O-CB 3.36Å; V481-R1697 CarbonylContact O-C 3.42Å; V481-R1697 VanDerWaalsContact O-CA 3.27Å; V481-R1697 WeakPolarHBondContact O-CA 3.27Å; V481-R1697 PolarHBondContact O-N 2.89Å; V481-D1698 HydrophobicContact CB-CB 4.35Å; V481-D1698 HydrophobicContact CG1-CB 3.55Å; V481-D1698 WeakPolarHBondContact CG1-OD2 3.24Å; V481-D1698 WeakPolarHBondContact CG2-OD2 3.49Å; V481-D1698 PolarHBondContact O-N 2.72Å; V481-D1698 VanDerWaalsContact O-N 3.11Å
482	E	36.8	Very low	36.9	Very low	96 Å²	96	131.7 Å²	131.7	45%	0.449	69%	0.691	S	S	.	*			trans	-170	113.8	-172	-160.4	-100.2	120.7	0	0	117	R1697 D1698	E482-R1697 WeakPolarHBondContact CG-O 3.18Å; E482-D1698 VanDerWaalsContact CA-CG 3.47Å; E482-D1698 WeakPolarHBondContact CA-OD2 3.37Å; E482-D1698 VanDerWaalsContact N-CG 3.31Å; E482-D1698 PolarHBondContact N-OD2 3.43Å
483	R	37.3	Very low	37	Very low	150 Å²	150	135.3 Å²	135.3	57%	0.566	69%	0.69	S	S	*	*				163.3	147.8	123.1	179.5	158.6	-82.7	88.6	7.2	116.5	D1698	R483-D1698 VanDerWaalsContact N-CG 3.32Å; R483-D1698 PolarHBondContact N-OD1 3.04Å
484	V	36.7	Very low	37	Very low	43 Å²	43	137.1 Å²	137.1	26%	0.261	69%	0.69	S	S	.	*			trans	177.7	155.3	131.1	145.4	0	0	0	0	115.6	M1700 S1701	V484-M1700 VanDerWaalsContact CB-C 3.46Å; V484-M1700 WeakPolarHBondContact CG1-O 3.37Å; V484-S1701 WeakPolarHBondContact CG1-O 3.31Å; V484-S1701 VanDerWaalsContact CG2-C 3.45Å
485	G	44.8	Very low	37.3	Very low	55 Å²	55	131.4 Å²	131.4	57%	0.567	68%	0.683	S	S	*	*			trans	-134.7	133	140.9	0	0	0	0	0	113	R1702 R1703	G485-R1702 CarbonylContact C-O 3.15Å; G485-R1702 VanDerWaalsContact C-O 3.25Å; G485-R1702 CarbonylContact O-C 3.29Å; G485-R1703 PolarHBondContact O-N 3.45Å
486	E	34.7	Very low	37.2	Very low	163 Å²	163	136.4 Å²	136.4	76%	0.762	70%	0.697	S	S	*	*			trans	39.7	139.6	151.4	-62.2	170.4	-166.5	0	0	124.5	R1702	E486-R1702 CarbonylContact C-O 3.2Å; E486-R1702 PolarHBondContact N-O 2.74Å
487	M	38.3	Very low	37.4	Very low	116 Å²	116	131.8 Å²	131.8	57%	0.571	69%	0.694	S	S	*	*			trans	-164.7	130.4	137.6	-170.5	-175.3	-66.8	0	0	114.2	I1704	M487-I1704 HydrophobicContact CE-CG2 4.02Å; M487-I1704 WeakPolarHBondContact CE-O 3.21Å
488	E	39.2	Very low	37.7	Very low	189 Å²	189	128.3 Å²	128.3	88%	0.883	70%	0.696	S	S	*	*			trans	-101	125.7	153.3	-106.1	-130	139.8	0	0	110.6
489	A	35.9	Very low	37.6	Very low	87 Å²	87	130.6 Å²	130.6	72%	0.719	70%	0.704	S	S	*	*			trans	150.6	91.4	140.5	0	0	0	0	0	113.9
490	E	37.8	Very low	37.5	Very low	192 Å²	192	130.7 Å²	130.7	90%	0.897	71%	0.712	S	S	*	*			trans	-144.3	173.6	160	-133	-151.2	150.8	0	0	115.3
491	Y	39.9	Very low	37.7	Very low	226 Å²	226	128.1 Å²	128.1	89%	0.886	72%	0.717	S	S	*	*			trans	-97.8	147.3	-174.5	-84.4	-117	0	0	0	112.7
492	G	38.9	Very low	37.7	Very low	71 Å²	71	133.7 Å²	133.7	73%	0.732	74%	0.738	S	S	*	*				104.6	99.1	124.2	0	0	0	0	0	121
493	E	37.3	Very low	37.9	Very low	183 Å²	183	135 Å²	135	86%	0.855	75%	0.753	S	S	*	*			trans	45.2	115.1	137.7	-69.4	-167.3	106.1	0	0	123.1
494	V	38	Very low	37.9	Very low	140 Å²	140	136.9 Å²	136.9	85%	0.848	77%	0.768	S	S	*	*				76.3	124.5	126.5	178.7	0	0	0	0	120.8
495	G	39.6	Very low	38	Very low	72 Å²	72	138.5 Å²	138.5	74%	0.742	79%	0.786	S	S	*	*			trans	158.1	110.6	146	0	0	0	0	0	118.4
496	E	37.4	Very low	37.6	Very low	210 Å²	210	144.4 Å²	144.4	98%	0.981	80%	0.799	S	S	*	*			trans	-47.6	147.4	176.3	-55.2	170.4	137.7	0	0	116.9
497	G	38.9	Very low	37.8	Very low	71 Å²	71	139.4 Å²	139.4	73%	0.732	78%	0.781	S	S	*	*			trans	-130.3	-56.6	-164.1	0	0	0	0	0	123.1
498	V	36.3	Very low	37.8	Very low	135 Å²	135	138 Å²	138	82%	0.818	79%	0.789	S	S	*	*			trans	72.3	118.4	176.1	-177.1	0	0	0	0	119.3
499	F	34.5	Very low	37.8	Very low	169 Å²	169	133.3 Å²	133.3	74%	0.741	77%	0.772	S	S	*	*			trans	90.9	122.2	152	-96.4	-127.5	0	0	0	124
500	E	35.5	Very low	37.9	Very low	171 Å²	171	135.1 Å²	135.1	80%	0.799	77%	0.766	S	S	*	*			trans	54.7	122.6	145.6	-65.7	173.7	168.7	0	0	120
501	G	37.8	Very low	37.8	Very low	76 Å²	76	129 Å²	129	78%	0.784	74%	0.742	S	S	*	*			trans	173.7	-17.1	172.9	0	0	0	0	0	121.6
502	E	36.1	Very low	37.6	Very low	192 Å²	192	126.8 Å²	126.8	90%	0.897	74%	0.737	S	S	*	*			trans	62.1	151.4	169.1	-62.4	178.9	149.2	0	0	120.5
503	T	40.4	Very low	37.6	Very low	125 Å²	125	126.6 Å²	126.6	77%	0.767	74%	0.735	S	S	*	*			trans	64.4	98.9	167.8	51.8	0	0	0	0	121.4
504	E	37.2	Very low	37.5	Very low	188 Å²	188	126.7 Å²	126.7	88%	0.879	74%	0.736	S	S	*	*				48.1	147.4	115	-72.5	157.5	-149.1	0	0	122.1
505	A	39.8	Very low	37.5	Very low	77 Å²	77	126.4 Å²	126.4	64%	0.636	73%	0.734	S	S	*	*			cis	-144.6	-156.1	6	0	0	0	0	0	113.4	M1700	A505-M1700 HydrophobicContact CB-CE 4.27Å
506	E	35.9	Very low	37.4	Very low	180 Å²	180	131.3 Å²	131.3	84%	0.841	74%	0.742	S	S	*	*			trans	-134.1	156.4	-159.2	-45.8	-177.1	131	0	0	117.6	M1700	E506-M1700 VanDerWaalsContact O-CE 3.31Å; E506-M1700 WeakPolarHBondContact O-CE 3.2Å
507	S	38.7	Very low	37.7	Very low	57 Å²	57	125.1 Å²	125.1	40%	0.399	74%	0.735	S	S	.	*			trans	-157.6	131	157.5	77.1	0	0	0	0	110.2	M1700	S507-M1700 VanDerWaalsContact OG-CB 3.28Å; S507-M1700 WeakPolarHBondContact OG-CB 3.23Å; S507-M1700 VanDerWaalsContact OG-CG 3.23Å; S507-M1700 WeakPolarHBondContact OG-CG 3.36Å; S507-M1700 PolarHBondContact OG-O 2.93Å; S507-M1700 VanDerWaalsContact OG-O 3.1Å
508	A	39.5	Very low	37.8	Very low	88 Å²	88	130.6 Å²	130.6	73%	0.727	74%	0.741	S	S	*	*				78.2	142.1	86.3	0	0	0	0	0	114.1
509	V	39	Very low	38	Very low	89 Å²	89	130.6 Å²	130.6	54%	0.539	74%	0.742	S	S	.	*			cis	-136.6	-166.6	3.4	-127.3	0	0	0	0	109.1	V511	V509-V511 HydrophobicContact CG1-CG2 3.62Å
510	E	37.4	Very low	38	Very low	126 Å²	126	131 Å²	131	59%	0.589	75%	0.746	S	S	*	*			cis	-99.8	177.3	8	-75.4	-163.7	90.4	0	0	113.7	F512 T1809	E510-F512 WeakPolarHBondContact OE1-CD2 2.88Å; E510-T1809 PolarHBondContact O-N 3.21Å
511	V	36.1	Very low	38.3	Very low	63 Å²	63	127.1 Å²	127.1	38%	0.382	74%	0.743	S	S	.	*			cis	95.4	145.5	9.2	-177.5	0	0	0	0	117.9	V509 I1808	V509-V511 HydrophobicContact CG1-CG2 3.62Å; V511-I1808 PolarHBondContact N-O 3.16Å
512	F	35.2	Very low	38.3	Very low	180 Å²	180	131.2 Å²	131.2	79%	0.789	75%	0.747	S	S	*	*			trans	75.6	107	-172.3	-69.7	-73.1	0	0	0	118	E510	E510-F512 WeakPolarHBondContact OE1-CD2 2.88Å
513	G	39.4	Very low	38.6	Very low	67 Å²	67	126.2 Å²	126.2	69%	0.691	74%	0.738	S	S	*	*			cis	170.4	169.9	-6	0	0	0	0	0	114.4
514	E	35.5	Very low	38.6	Very low	185 Å²	185	129.1 Å²	129.1	86%	0.864	74%	0.743	S	S	*	*			trans	54.1	95	161.6	-60.1	178.5	-174	0	0	118.3
515	T	38.2	Very low	38.8	Very low	134 Å²	134	124.8 Å²	124.8	82%	0.822	73%	0.734	S	S	*	*				177.7	121.1	100.8	42.7	0	0	0	0	112.7
516	L	37.6	Very low	38.7	Very low	174 Å²	174	128.9 Å²	128.9	91%	0.911	74%	0.74	S	S	*	*			trans	32.3	95	150.8	-58.9	175	0	0	0	120.6
517	G	43	Very low	38.8	Very low	80 Å²	80	125.9 Å²	125.9	83%	0.825	73%	0.734	S	S	*	*			trans	68.3	135.2	136.3	0	0	0	0	0	120.9
518	Q	41.4	Very low	38.7	Very low	186 Å²	186	128.8 Å²	128.8	87%	0.869	75%	0.749	S	S	*	*			trans	-141.4	132.8	179.6	-65.7	-169.4	-83.3	0	0	114.6
519	V	39.5	Very low	38.6	Very low	136 Å²	136	132.1 Å²	132.1	82%	0.824	75%	0.749	S	S	*	*			trans	69.9	158.7	137.8	-178.8	0	0	0	0	119.5
520	E	34.1	Very low	38.4	Very low	176 Å²	176	134.9 Å²	134.9	82%	0.822	76%	0.756	S	S	*	*			trans	-110.1	177	-158.6	-55.9	164.3	121.1	0	0	115.2
521	A	42.9	Very low	38.2	Very low	90 Å²	90	134.5 Å²	134.5	74%	0.744	76%	0.762	S	S	*	*			trans	96.3	98	151.6	0	0	0	0	0	122.5
522	D	36.7	Very low	38.1	Very low	163 Å²	163	140.7 Å²	140.7	87%	0.872	79%	0.787	S	S	*	*			trans	34.2	123.6	133.4	-51.1	-5.9	0	0	0	123.8
523	A	43.1	Very low	38.8	Very low	86 Å²	86	136.4 Å²	136.4	71%	0.711	78%	0.779	S	S	*	*				162.2	142.3	109.9	0	0	0	0	0	115
524	E	39.7	Very low	38.6	Very low	186 Å²	186	138.1 Å²	138.1	87%	0.869	77%	0.769	S	S	*	*			trans	63.4	108.5	166.5	-65.6	172.9	-146	0	0	116.8
525	S	41.6	Very low	38.7	Very low	97 Å²	97	139.3 Å²	139.3	68%	0.678	77%	0.766	S	S	*	*				66.9	123	84.2	177.9	0	0	0	0	112.2
526	E	39.1	Very low	38.5	Very low	163 Å²	163	139.2 Å²	139.2	76%	0.762	77%	0.765	S	S	*	*			cis	-173.6	171.5	4.6	-123.4	159.7	88.2	0	0	108.1
527	V	37.2	Very low	38.2	Very low	118 Å²	118	135.9 Å²	135.9	72%	0.715	76%	0.756	S	S	*	*			cis	-143.2	157.7	1.4	-161.3	0	0	0	0	107.6
528	V	36	Very low	37.5	Very low	118 Å²	118	137.6 Å²	137.6	72%	0.715	75%	0.75	S	S	*	*			trans	-139.6	125.9	161.1	177.3	0	0	0	0	110	Q530	V528-Q530 PolarHBondContact O-N 2.95Å
529	E	37.9	Very low	36.9	Very low	157 Å²	157	137.8 Å²	137.8	73%	0.734	75%	0.749	S	S	*	*			trans	-75.4	112.3	163.7	-88.5	-137.4	95.1	0	0	110.2
530	Q	35.4	Very low	36.4	Very low	147 Å²	147	135.1 Å²	135.1	69%	0.687	74%	0.741	S	S	*	*			trans	58	130.7	147.4	-42.3	-170.3	44.8	0	0	116.8	V528	V528-Q530 PolarHBondContact O-N 2.95Å
531	V	31.4	Very low	36.7	Very low	119 Å²	119	132.1 Å²	132.1	72%	0.721	74%	0.737	S	S	*	*	S	Bend	cis	-140.2	143.8	34.1	174.7	0	0	0	0	110.2
532	E	35	Very low	36.3	Very low	193 Å²	193	133.8 Å²	133.8	90%	0.902	74%	0.737	S	S	*	*	S	Bend	trans	61.2	51.5	175	-70.9	-177.2	-169.1	0	0	117.4
533	S	49.8	Very low	36	Very low	90 Å²	90	133.9 Å²	133.9	63%	0.629	73%	0.732	S	S	*	*			trans	-88.5	135.1	164.5	-57.1	0	0	0	0	110.9
534	E	34.6	Very low	35.7	Very low	102 Å²	102	135.6 Å²	135.6	48%	0.477	73%	0.729	S	S	.	*	S	Bend	cis	-137.9	135.7	2.9	-74.5	-160.1	92.1	0	0	115.1	Q1842	E534-Q1842 PolarHBondContact OE2-NE2 3.15Å
535	R	37.5	Very low	35.5	Very low	210 Å²	210	135.2 Å²	135.2	79%	0.792	73%	0.727	S	S	*	*				55.9	78.6	128.3	-57.3	-177.9	171.3	144.6	-8.7	121.3
536	V	34.3	Very low	35.4	Very low	133 Å²	133	133.5 Å²	133.5	81%	0.806	72%	0.715	S	S	*	*				24.9	107	113.8	-173	0	0	0	0	119
537	S	31.5	Very low	35.5	Very low	104 Å²	104	131.2 Å²	131.2	73%	0.727	71%	0.705	S	S	*	*			trans	75.5	154.6	142.6	90.4	0	0	0	0	118.6
538	V	27.8	Very low	35.7	Very low	115 Å²	115	127.3 Å²	127.3	70%	0.697	68%	0.684	S	S	*	*			cis	-168.4	166.3	-6.9	115.7	0	0	0	0	110.4
539	F	30.2	Very low	35.9	Very low	191 Å²	191	129 Å²	129	84%	0.838	69%	0.689	S	S	*	*			trans	62.1	123.6	167.7	-79.9	-52.9	0	0	0	119.7
540	A	28.5	Very low	36.1	Very low	79 Å²	79	124.7 Å²	124.7	65%	0.653	68%	0.68	S	S	*	*			trans	-89.4	170.2	135.7	0	0	0	0	0	108.9
541	P	40.7	Very low	36.3	Very low	114 Å²	114	122.9 Å²	122.9	74%	0.74	67%	0.671	S	S	*	*			cis	-133.5	-171.8	-3.2	36.9	-17	0	0	0	113.9
542	V	33.4	Very low	36.9	Very low	125 Å²	125	119.9 Å²	119.9	76%	0.758	65%	0.654	S	S	*	*				174.1	115.9	115.6	156.9	0	0	0	0	113.6
543	E	31.9	Very low	37	Very low	165 Å²	165	114.7 Å²	114.7	77%	0.771	64%	0.643	S	S	*	*			trans	13.6	131.2	144.9	-57.6	-178.7	161.7	0	0	125
544	L	37.1	Very low	36.7	Very low	121 Å²	121	112.3 Å²	112.3	63%	0.634	63%	0.629	S	S	*	*			trans	67.5	164	138.7	-57.8	169.5	0	0	0	119.1	M568	L544-M568 HydrophobicContact CD2-CE 4.32Å; L544-M568 HydrophobicContact CD2-SD 3.7Å
545	E	34.4	Very low	36.5	Very low	178 Å²	178	115.1 Å²	115.1	83%	0.832	64%	0.643	S	S	*	*			cis	-137.9	163.9	11.3	-60	174.9	128.5	0	0	109
546	S	40.2	Very low	36.5	Very low	61 Å²	61	109 Å²	109	43%	0.427	63%	0.63	S	S	.	*			cis	-176	153.1	-14.9	56.5	0	0	0	0	110.3	E569	S546-E569 WeakPolarHBondContact CB-OE2 2.96Å
547	E	39.8	Very low	36.6	Very low	116 Å²	116	108.5 Å²	108.5	54%	0.542	62%	0.619	S	S	.	*			trans	68.2	153.6	167.8	-59.8	-174.8	165	0	0	118.9	M568 E569	E547-M568 CarbonylContact C-O 3.11Å; E547-M568 WeakPolarHBondContact CA-O 3.23Å; E547-M568 PolarHBondContact N-O 3Å; E547-E569 HydrophobicContact CG-CB 4.17Å
548	A	42.3	Very low	36.8	Very low	35 Å²	35	110 Å²	110	29%	0.289	61%	0.608	S	S	.	*			cis	-177	134.3	-25.6	0	0	0	0	0	113.2	M568 E569	A548-M568 WeakPolarHBondContact CA-O 3.35Å; A548-E569 VanDerWaalsContact CB-O 3.3Å; A548-E569 WeakPolarHBondContact CB-O 3.25Å
549	L	40.1	Very low	37.3	Very low	155 Å²	155	107.7 Å²	107.7	81%	0.812	59%	0.59	S	S	*	*			trans	60.4	154.3	148.2	-58.5	171.4	0	0	0	121.3
550	A	42.8	Very low	37.5	Very low	66 Å²	66	104.2 Å²	104.2	55%	0.545	57%	0.572	S	S	.	*			cis	-176.3	-179.6	-16.3	0	0	0	0	0	111
551	E	40.1	Very low	37.7	Very low	108 Å²	108	106.9 Å²	106.9	51%	0.505	57%	0.574	S	S	.	*			trans	74.7	133.3	165.3	-69.9	-162.4	145.5	0	0	120.2	S1827 M1829	E551-S1827 WeakPolarHBondContact OE2-CB 2.86Å; E551-M1829 HydrophobicContact CB-CG 4.39Å; E551-M1829 WeakPolarHBondContact OE1-CE 3.28Å
552	T	43.5	Very low	37.5	Very low	57 Å²	57	105.8 Å²	105.8	35%	0.35	57%	0.565	S	S	.	*			cis	-159.9	145.3	-9.9	46.5	0	0	0	0	112.9	M1829 D1831	T552-M1829 HydrophobicContact CG2-CE 3.85Å; T552-M1829 HydrophobicContact CG2-CG 3.99Å; T552-M1829 HydrophobicContact CG2-SD 4.26Å; T552-M1829 WeakPolarHBondContact OG1-CA 3.35Å; T552-M1829 VanDerWaalsContact OG1-CB 3.23Å; T552-M1829 WeakPolarHBondContact OG1-CB 3.12Å; T552-M1829 WeakPolarHBondContact OG1-CG 3.42Å; T552-D1831 PolarHBondContact O-N 2.76Å
553	A	36.1	Very low	37.8	Very low	83 Å²	83	107 Å²	107	69%	0.686	56%	0.562	S	S	*	*			trans	26.4	128.9	139.1	0	0	0	0	0	122	D1831	A553-D1831 PolarHBondContact O-N 3.03Å
554	A	43.8	Very low	38.3	Very low	41 Å²	41	108.5 Å²	108.5	34%	0.339	56%	0.561	S	S	.	*				-172.8	139.4	117.7	0	0	0	0	0	112.2	D1831 S1832	A554-D1831 HydrophobicContact CB-CB 4.24Å; A554-S1832 VanDerWaalsContact O-CA 3.25Å; A554-S1832 WeakPolarHBondContact O-CA 3.46Å; A554-S1832 VanDerWaalsContact O-CB 3.28Å; A554-S1832 WeakPolarHBondContact O-CB 3.09Å
555	Q	31.7	Very low	38.3	Very low	161 Å²	161	109.9 Å²	109.9	75%	0.752	57%	0.574	S	S	*	*			trans	-82.7	169.8	173.1	-87.8	-176.7	-27.2	0	0	111.8
556	P	37.2	Very low	38.7	Very low	81 Å²	81	105 Å²	105	53%	0.526	57%	0.571	S	S	.	*			cis	-144.7	153.5	23.6	40.5	-20.2	0	0	0	120.3	L1833	P556-L1833 WeakPolarHBondContact O-CD2 3.3Å
557	E	36.3	Very low	38.6	Very low	122 Å²	122	110.2 Å²	110.2	57%	0.57	59%	0.589	S	S	*	*			trans	89.9	91.6	144.7	-80	-172.2	146.6	0	0	120.2	R1185 D1834	E557-R1185 VanDerWaalsContact CD-NH2 3.31Å; E557-R1185 IonicContact OE1-CZ 3.3Å; E557-R1185 IonicContact OE1-NH1 3.32Å; E557-R1185 PolarHBondContact OE1-NH1 2.85Å; E557-R1185 IonicContact OE1-NH2 2.7Å; E557-R1185 PolarHBondContact OE1-NH2 3.06Å; E557-R1185 IonicContact OE2-CZ 3.22Å; E557-R1185 IonicContact OE2-NH1 2.72Å; E557-R1185 PolarHBondContact OE2-NH1 3.04Å; E557-R1185 IonicContact OE2-NH2 2.77Å; E557-R1185 PolarHBondContact OE2-NH2 3.18Å; E557-D1834 PolarHBondContact N-OD2 3.07Å
558	R	35.2	Very low	38.5	Very low	135 Å²	135	106.9 Å²	106.9	51%	0.509	57%	0.574	S	S	.	*				117.5	127.5	94	-142.9	-149.5	-173.4	-165.6	3.2	117.4	D1835	R558-D1835 VanDerWaalsContact C-CB 3.42Å; R558-D1835 WeakPolarHBondContact CA-OD2 3.15Å; R558-D1835 PolarHBondContact N-OD2 2.95Å
559	E	38.2	Very low	38.5	Very low	68 Å²	68	110.6 Å²	110.6	32%	0.318	59%	0.585	S	S	.	*			trans	81.5	118.5	156.3	-71.8	-178.9	-136.8	0	0	118.9	D1835 S1836	E559-D1835 PolarHBondContact N-OD2 2.77Å; E559-S1836 CarbonylContact C-O 2.89Å
560	R	33.5	Very low	38.4	Very low	118 Å²	118	105.9 Å²	105.9	45%	0.445	57%	0.569	S	S	.	*			cis	-167.8	117.7	-21.8	23.4	38.1	-146.7	150.5	16.5	113.7	S1836 S1837	R560-S1836 WeakPolarHBondContact CA-OG 3.36Å; R560-S1836 PolarHBondContact N-O 3.43Å; R560-S1836 PolarHBondContact N-OG 3.25Å; R560-S1836 VanDerWaalsContact N-OG 3.12Å; R560-S1837 VanDerWaalsContact CD-OG 3.29Å; R560-S1837 WeakPolarHBondContact CD-OG 3.27Å; R560-S1837 PolarHBondContact NH1-OG 3.09Å; R560-S1837 VanDerWaalsContact O-CA 3.26Å; R560-S1837 WeakPolarHBondContact O-CA 3.47Å; R560-S1837 PolarHBondContact O-OG 3.05Å
561	L	34.2	Very low	38.1	Very low	134 Å²	134	109.4 Å²	109.4	70%	0.702	57%	0.574	S	S	*	*			trans	79	159.6	168.5	-51	177.8	0	0	0	117.8	S1836 S1837 S1838	L561-S1836 PolarHBondContact N-OG 2.89Å; L561-S1836 CarbonylContact O-C 3.25Å; L561-S1836 WeakPolarHBondContact O-CB 3.05Å; L561-S1837 CarbonylContact O-C 3.36Å; L561-S1837 WeakPolarHBondContact O-CA 3.44Å; L561-S1837 PolarHBondContact O-N 3.2Å; L561-S1838 PolarHBondContact O-N 2.55Å; L561-S1838 VanDerWaalsContact O-N 3.16Å
562	V	35.6	Very low	38.1	Very low	91 Å²	91	114.2 Å²	114.2	55%	0.552	59%	0.589	S	S	*	*			trans	73.2	91.9	-166.7	-171.4	0	0	0	0	114.2	V1839	V562-V1839 HydrophobicContact CG2-CG2 4.13Å
563	E	40.1	Very low	37.8	Very low	151 Å²	151	115.2 Å²	115.2	71%	0.706	61%	0.611	S	S	*	*				-150.4	152.7	124.3	-117.1	-163.8	145.7	0	0	113.5
564	R	43.2	Very low	37.8	Very low	196 Å²	196	120.1 Å²	120.1	74%	0.74	62%	0.619	S	S	*	*			trans	-19.9	138.2	165.5	-64.6	145.2	-175.6	133.2	2.1	116.5
565	V	35.9	Very low	37.4	Very low	150 Å²	150	124.5 Å²	124.5	91%	0.909	64%	0.641	S	S	*	*				66	120.6	61	178.9	0	0	0	0	112.5
566	G	44	Very low	37.7	Very low	75 Å²	75	120.5 Å²	120.5	77%	0.773	64%	0.643	S	S	*	*			trans	167.5	79.6	-177.9	0	0	0	0	0	116.5
567	E	38.2	Very low	37.6	Very low	172 Å²	172	126 Å²	126	80%	0.804	66%	0.662	S	S	*	*			trans	-23.5	159.1	149.7	-84.9	171.5	-163.9	0	0	118.7
568	M	37.7	Very low	37.7	Very low	45 Å²	45	123.5 Å²	123.5	22%	0.222	67%	0.669	C	S	.	*			cis	-165.4	157.5	-2	-171.2	178.1	-48	0	0	109.3	L544 E547 A548	L544-M568 HydrophobicContact CD2-CE 4.32Å; L544-M568 HydrophobicContact CD2-SD 3.7Å; E547-M568 CarbonylContact C-O 3.11Å; E547-M568 WeakPolarHBondContact CA-O 3.23Å; E547-M568 PolarHBondContact N-O 3Å; A548-M568 WeakPolarHBondContact CA-O 3.35Å
569	E	42.1	Very low	37.8	Very low	113 Å²	113	123.3 Å²	123.3	53%	0.528	68%	0.683	S	S	.	*			trans	44.4	-172.6	158.2	-74.2	170.8	160.9	0	0	120.5	S546 E547 A548	S546-E569 WeakPolarHBondContact CB-OE2 2.96Å; E547-E569 HydrophobicContact CG-CB 4.17Å; A548-E569 VanDerWaalsContact CB-O 3.3Å; A548-E569 WeakPolarHBondContact CB-O 3.25Å
570	A	37.7	Very low	37.6	Very low	56 Å²	56	127.9 Å²	127.9	46%	0.463	70%	0.702	S	S	.	*				-135.2	-168.6	-78	0	0	0	0	0	108.9
571	E	35.7	Very low	37.7	Very low	140 Å²	140	130.8 Å²	130.8	65%	0.654	72%	0.721	S	S	*	*			cis	-157.5	173.9	-1.9	-145.3	-98.4	85.8	0	0	108.1
572	Y	39.6	Very low	37.8	Very low	210 Å²	210	128.2 Å²	128.2	82%	0.824	73%	0.726	S	S	*	*			trans	62.4	129.4	177.9	-63.8	-88.9	0	0	0	119.3
573	G	37	Very low	37.9	Very low	78 Å²	78	132.7 Å²	132.7	80%	0.804	74%	0.741	S	S	*	*			trans	158.8	92.2	154.8	0	0	0	0	0	118.2
574	E	36.1	Very low	38	Very low	186 Å²	186	132 Å²	132	87%	0.869	75%	0.747	S	S	*	*			trans	-56.9	138.5	175.7	-74.5	-179.6	98	0	0	117
575	V	35.5	Very low	37.6	Very low	132 Å²	132	131.4 Å²	131.4	80%	0.8	75%	0.753	S	S	*	*			trans	62.4	123.5	131.6	-179.9	0	0	0	0	120.3
576	G	38.1	Very low	37.8	Very low	77 Å²	77	128.5 Å²	128.5	79%	0.794	75%	0.745	S	S	*	*			trans	-170.7	104.3	164.3	0	0	0	0	0	115.4
577	E	35.3	Very low	37.5	Very low	197 Å²	197	133.4 Å²	133.4	92%	0.921	75%	0.747	S	S	*	*			trans	-65.7	149.7	-178.6	-52	170.3	125.6	0	0	115.2
578	G	39.4	Very low	37.4	Very low	70 Å²	70	130.4 Å²	130.4	72%	0.722	75%	0.745	S	S	*	*			trans	151.1	81.6	163.1	0	0	0	0	0	115.5
579	V	36.7	Very low	37.2	Very low	130 Å²	130	131.1 Å²	131.1	79%	0.788	76%	0.758	S	S	*	*				83.5	138.6	62.6	-180	0	0	0	0	114.6
580	F	33.8	Very low	36.8	Very low	164 Å²	164	128.9 Å²	128.9	72%	0.719	75%	0.752	S	S	*	*			trans	98.6	94.8	168.8	-91.9	-69.6	0	0	0	120.8
581	E	35.2	Very low	36.5	Very low	180 Å²	180	130.2 Å²	130.2	84%	0.841	75%	0.749	S	S	*	*			trans	51.8	129.1	136.1	-67.4	173.9	175.5	0	0	122.6
582	G	37.6	Very low	36.4	Very low	79 Å²	79	127 Å²	127	81%	0.814	74%	0.739	S	S	*	*			trans	-178.9	99.5	163.6	0	0	0	0	0	112.3
583	E	36.3	Very low	36.1	Very low	185 Å²	185	121.5 Å²	121.5	86%	0.864	72%	0.719	S	S	*	*			trans	-64	145.2	176.5	-58.7	164.9	144.8	0	0	110.6
584	T	42.4	Very low	36.3	Very low	137 Å²	137	120.6 Å²	120.6	84%	0.84	71%	0.71	S	S	*	*				-175.4	-177.7	90.7	25.1	0	0	0	0	112.6
585	E	36.1	Very low	36.7	Very low	184 Å²	184	118.7 Å²	118.7	86%	0.86	70%	0.701	S	S	*	*			trans	-92.9	164.3	-161.4	-55	163.6	122.9	0	0	115.3
586	A	38.5	Very low	37.1	Very low	89 Å²	89	117.2 Å²	117.2	74%	0.736	69%	0.693	S	S	*	*			trans	72	147	152.6	0	0	0	0	0	118.3
587	E	38.6	Very low	37.2	Very low	177 Å²	177	119.6 Å²	119.6	83%	0.827	69%	0.686	S	S	*	*			cis	-149.8	161.4	-3.1	-135.2	161.1	-143.7	0	0	112.5
588	S	36.6	Very low	37.7	Very low	109 Å²	109	113.6 Å²	113.6	76%	0.762	68%	0.677	S	S	*	*			trans	5.9	129.1	170	58.7	0	0	0	0	120.2
589	A	33.2	Very low	37.7	Very low	60 Å²	60	115.7 Å²	115.7	50%	0.496	67%	0.669	S	S	.	*			cis	-158.5	-132.8	-7.9	0	0	0	0	0	107.2	A1871	A589-A1871 HydrophobicContact CB-CB 3.78Å
590	V	32.8	Very low	37.9	Very low	66 Å²	66	114.8 Å²	114.8	40%	0.4	66%	0.663	S	S	.	*			trans	72.1	133.2	-178.5	-164.8	0	0	0	0	111.7	A1871	V590-A1871 VanDerWaalsContact CA-N 3.3Å
591	E	31.6	Very low	38.1	Very low	85 Å²	85	115 Å²	115	40%	0.397	67%	0.666	S	S	.	*			cis	-136.6	179.8	-1.7	-108.8	-114.5	143.9	0	0	109.8	S1853 T1856 F1868 S1869	E591-S1853 WeakPolarHBondContact OE1-CB 3.17Å; E591-T1856 PolarHBondContact OE1-OG1 2.77Å; E591-F1868 VanDerWaalsContact OE1-O 3.1Å; E591-S1869 CarbonylContact C-O 3.51Å; E591-S1869 WeakPolarHBondContact CA-O 2.25Å; E591-S1869 WeakPolarHBondContact CB-O 3.19Å; E591-S1869 WeakPolarHBondContact CG-O 2.71Å; E591-S1869 VanDerWaalsContact OE1-O 3.07Å
592	V	34	Very low	38.5	Very low	71 Å²	71	110 Å²	110	43%	0.43	66%	0.656	S	S	.	*			trans	78.5	135.4	149.5	173.9	0	0	0	0	124.6	F1868 S1869 T1870	V592-F1868 HydrophobicContact CB-CB 4.01Å; V592-F1868 HydrophobicContact CB-CD1 4.42Å; V592-F1868 HydrophobicContact CG1-CB 3.97Å; V592-F1868 HydrophobicContact CG1-CD1 3.5Å; V592-F1868 VanDerWaalsContact CG1-CD1 3.5Å; V592-F1868 HydrophobicContact CG1-CE1 4.04Å; V592-F1868 HydrophobicContact CG1-CG 3.96Å; V592-F1868 HydrophobicContact CG2-CB 3.45Å; V592-F1868 VanDerWaalsContact CG2-CB 3.45Å; V592-F1868 HydrophobicContact CG2-CD1 4.23Å; V592-F1868 HydrophobicContact CG2-CG 4.3Å; V592-S1869 VanDerWaalsContact CA-OG 3.23Å; V592-S1869 WeakPolarHBondContact CA-OG 3.09Å; V592-S1869 PolarHBondContact N-O 3.23Å; V592-S1869 PolarHBondContact N-OG 3.24Å; V592-T1870 PolarHBondContact N-OG1 2.89Å
593	F	33.1	Very low	38.3	Very low	95 Å²	95	109.9 Å²	109.9	42%	0.417	64%	0.636	S	S	.	*			trans	-79.6	-175.7	174.8	-68.6	-113.7	0	0	0	115.2	K1857 M1858 F1868 S1869	F593-K1857 VanDerWaalsContact CE2-O 3.31Å; F593-K1857 WeakPolarHBondContact CE2-O 3.49Å; F593-M1858 HydrophobicContact CD1-CB 3.8Å; F593-M1858 HydrophobicContact CD2-CB 3.95Å; F593-M1858 HydrophobicContact CE1-CB 3.54Å; F593-M1858 HydrophobicContact CE2-CB 3.69Å; F593-M1858 HydrophobicContact CG-CB 4.03Å; F593-M1858 HydrophobicContact CZ-CB 3.51Å; F593-F1868 HydrophobicContact CB-CD2 3.47Å; F593-F1868 VanDerWaalsContact CB-CD2 3.47Å; F593-F1868 HydrophobicContact CB-CE2 3.4Å; F593-F1868 HydrophobicContact CB-CG 4.21Å; F593-F1868 HydrophobicContact CB-CZ 4.09Å; F593-F1868 HydrophobicContact CD2-CB 4.05Å; F593-F1868 AromaticContact CD2-CD2 3.42Å; F593-F1868 HydrophobicContact CD2-CD2 3.42Å; F593-F1868 VanDerWaalsContact CD2-CD2 3.42Å; F593-F1868 HydrophobicContact CD2-CE2 4.16Å; F593-F1868 HydrophobicContact CD2-CG 4.09Å; F593-F1868 HydrophobicContact CE2-CD2 4.29Å; F593-F1868 AromaticContact CG-CD2 3.68Å; F593-F1868 HydrophobicContact CG-CD2 3.68Å; F593-F1868 AromaticContact CG-CE2 3.94Å; F593-F1868 HydrophobicContact CG-CE2 3.94Å; F593-S1869 VanDerWaalsContact CD2-CB 3.49Å; F593-S1869 VanDerWaalsContact CD2-N 3.34Å; F593-S1869 WeakPolarHBondContact CD2-OG 3.27Å; F593-S1869 VanDerWaalsContact CE2-CB 3.41Å; F593-S1869 PolarHBondContact N-OG 3.46Å
594	G	41.1	Very low	38.6	Very low	60 Å²	60	104.5 Å²	104.5	62%	0.619	62%	0.624	S	S	*	*				-141.2	126.9	129.8	0	0	0	0	0	115.1
595	E	45.2	Very low	38.3	Very low	146 Å²	146	100.9 Å²	100.9	68%	0.682	60%	0.597	S	S	*	*			trans	60	152	134.3	-61.3	-171	162.1	0	0	121.8	M1858 F1868	E595-M1858 HydrophobicContact CG-CE 4.41Å; E595-F1868 HydrophobicContact CG-CZ 4.49Å
596	T	43.9	Very low	38.6	Very low	101 Å²	101	96.3 Å²	96.3	62%	0.62	59%	0.585	S	S	*	*			cis	-155.7	153.9	-2.5	8.6	0	0	0	0	113.6
597	L	40.2	Very low	38.7	Very low	126 Å²	126	100.7 Å²	100.7	66%	0.66	59%	0.591	S	S	*	*			trans	11.2	142	143.8	-59.5	170.5	0	0	0	122.5	T1860	L597-T1860 WeakPolarHBondContact CD2-O 3.35Å
598	G	46.1	Very low	38.4	Very low	71 Å²	71	97.2 Å²	97.2	73%	0.732	58%	0.581	S	S	*	*			trans	137.3	63.4	161.5	0	0	0	0	0	113.4
599	Q	39.7	Very low	38.5	Very low	115 Å²	115	98.2 Å²	98.2	54%	0.537	58%	0.582	S	S	.	*				47.1	117.7	86.1	-76.3	-141.9	-87.3	0	0	115.6
600	V	39.1	Very low	38.7	Very low	110 Å²	110	103.2 Å²	103.2	67%	0.667	60%	0.596	S	S	*	*			trans	69.6	131.9	144.9	174.3	0	0	0	0	116
601	E	38.9	Very low	39.3	Very low	169 Å²	169	105 Å²	105	79%	0.79	60%	0.6	S	S	*	*			cis	-163.4	165.6	-14.9	-116.9	161.1	-162.8	0	0	105.5
602	A	42.5	Very low	39.1	Very low	75 Å²	75	107 Å²	107	62%	0.62	62%	0.618	S	S	*	*			trans	55.1	91.2	173.7	0	0	0	0	0	115
603	D	35.4	Very low	39	Very low	76 Å²	76	107.2 Å²	107.2	41%	0.406	61%	0.614	S	S	.	*			trans	81.1	152.1	130.8	-44.1	-33.2	0	0	0	116.9	T1899 P1901	D603-T1899 VanDerWaalsContact CG-CB 3.44Å; D603-T1899 WeakPolarHBondContact OD1-CB 3.49Å; D603-T1899 PolarHBondContact OD1-OG1 2.99Å; D603-T1899 WeakPolarHBondContact OD2-CB 3.49Å; D603-T1899 PolarHBondContact OD2-OG1 3.14Å; D603-P1901 VanDerWaalsContact C-CD 3.49Å; D603-P1901 HydrophobicContact CB-CB 4.03Å; D603-P1901 HydrophobicContact CB-CG 3.36Å
604	A	40.6	Very low	38.8	Very low	73 Å²	73	107 Å²	107	60%	0.603	62%	0.624	S	S	*	*			trans	-77.7	-143.8	-168.2	0	0	0	0	0	121.1	P1901	A604-P1901 VanDerWaalsContact O-CG 3.27Å; A604-P1901 WeakPolarHBondContact O-CG 3.5Å
605	E	37.8	Very low	38.3	Very low	61 Å²	61	110.4 Å²	110.4	29%	0.285	62%	0.624	S	S	.	*			trans	47.8	-177.9	-171.3	-69.1	-175.5	-135.8	0	0	116.8	P1901 T1902 T1903	E605-P1901 WeakPolarHBondContact CB-O 3.35Å; E605-P1901 WeakPolarHBondContact CG-O 3.28Å; E605-T1902 WeakPolarHBondContact OE1-CA 3.31Å; E605-T1902 PolarHBondContact OE1-N 2.77Å; E605-T1903 PolarHBondContact OE2-N 2.69Å
606	S	41.7	Very low	37.7	Very low	87 Å²	87	112.7 Å²	112.7	61%	0.608	63%	0.626	S	S	*	*				-134.6	169	-73.6	64.4	0	0	0	0	109.2
607	E	41.3	Very low	37.3	Very low	182 Å²	182	111.1 Å²	111.1	85%	0.85	62%	0.616	S	S	*	*	S	Bend	cis	-46.5	151.9	4.5	-70.6	-172.6	69	0	0	114.9
608	V	31.1	Very low	37	Very low	103 Å²	103	107.3 Å²	107.3	62%	0.624	60%	0.6	S	S	*	*	S	Bend	cis	-127.1	159.2	27.4	-159.8	0	0	0	0	112.3	E610 Q611	V608-E610 CarbonylContact O-C 3.55Å; V608-E610 PolarHBondContact O-N 2.69Å; V608-Q611 PolarHBondContact O-N 3.43Å
609	V	40.3	Very low	36.3	Very low	130 Å²	130	107.6 Å²	107.6	79%	0.788	59%	0.587	S	S	*	*	S	Bend	trans	-59.7	114.9	163	-179.8	0	0	0	0	109.3
610	E	35.8	Very low	36.1	Very low	166 Å²	166	108.9 Å²	108.9	78%	0.776	59%	0.592	S	S	*	*			cis	-106	142.5	-0.2	-70.4	154.8	156.4	0	0	109.5	V608	V608-E610 CarbonylContact O-C 3.55Å; V608-E610 PolarHBondContact O-N 2.69Å
611	Q	45.2	Very low	35.6	Very low	103 Å²	103	107.3 Å²	107.3	48%	0.481	59%	0.59	S	S	.	*				51.6	75.1	71.5	-74.9	176	-38.5	0	0	112.7	V608 E613	V608-Q611 PolarHBondContact O-N 3.43Å; Q611-E613 PolarHBondContact O-N 3.23Å
612	V	28.9	Very low	35.4	Very low	128 Å²	128	104.8 Å²	104.8	78%	0.776	59%	0.589	S	S	*	*			trans	-72.2	82.4	132.1	178.3	0	0	0	0	107.1
613	E	30.5	Very low	35.1	Very low	74 Å²	74	106.6 Å²	106.6	35%	0.346	59%	0.591	S	S	.	*			trans	-125.5	134.7	131.2	-76.9	-162.4	139.2	0	0	103.5	Q611	Q611-E613 PolarHBondContact O-N 3.23Å
614	S	29	Very low	35.3	Very low	90 Å²	90	110.5 Å²	110.5	63%	0.629	61%	0.607	S	S	*	*				58.2	152.7	62.5	-51.8	0	0	0	0	110.7
615	E	30.8	Very low	35.5	Very low	133 Å²	133	112.6 Å²	112.6	62%	0.621	61%	0.608	S	S	*	*			trans	29	103.2	157.1	-62.9	-173.6	-135.2	0	0	117.6
616	R	33.4	Very low	35.7	Very low	194 Å²	194	117.7 Å²	117.7	73%	0.732	63%	0.632	S	S	*	*				-154	131.8	55.9	-94.6	112.4	-159.2	-144.1	9.3	109.3
617	V	35.3	Very low	35.9	Very low	67 Å²	67	117.6 Å²	117.6	41%	0.406	63%	0.631	S	S	.	*				56.5	87.1	92.8	-177.1	0	0	0	0	110.4	M1 T1908 L1909	M1-V617 HydrophobicContact SD-CG2 4.45Å; V617-T1908 CarbonylContact O-C 3.48Å; V617-L1909 HydrophobicContact CG1-CD2 3.49Å; V617-L1909 VanDerWaalsContact CG1-CD2 3.49Å; V617-L1909 HydrophobicContact CG1-CG 3.92Å; V617-L1909 PolarHBondContact O-N 3.04Å
618	S	34.7	Very low	35.9	Very low	47 Å²	47	113 Å²	113	33%	0.329	61%	0.609	S	S	.	*			trans	85.7	159.4	149.6	-46	0	0	0	0	121.9	P1910 M1911	S618-P1910 WeakPolarHBondContact CB-O 3.48Å; S618-M1911 VanDerWaalsContact CB-O 3.26Å; S618-M1911 WeakPolarHBondContact CB-O 3.39Å; S618-M1911 PolarHBondContact OG-N 2.83Å; S618-M1911 PolarHBondContact OG-O 2.7Å
619	V	31	Very low	36.6	Very low	76 Å²	76	110.6 Å²	110.6	46%	0.461	60%	0.601	S	S	.	*				5.6	143.8	123.7	-166.6	0	0	0	0	115.1	T1908 L1909 P1910	V619-T1908 CarbonylContact O-C 3.59Å; V619-L1909 CarbonylContact O-C 3.59Å; V619-L1909 WeakPolarHBondContact O-CA 3.34Å; V619-L1909 PolarHBondContact O-N 2.69Å; V619-L1909 VanDerWaalsContact O-N 3.13Å; V619-P1910 WeakPolarHBondContact CB-O 2.78Å; V619-P1910 WeakPolarHBondContact CG2-O 3.06Å
620	F	34.2	Very low	36.7	Very low	142 Å²	142	111.5 Å²	111.5	62%	0.623	60%	0.6	S	S	*	*			cis	-98.2	141.2	16.6	-75.4	-73.2	0	0	0	113.5	T1908 P1910	F620-T1908 HydrophobicContact CD2-CG2 4.45Å; F620-P1910 VanDerWaalsContact CE2-CD 3.42Å; F620-P1910 HydrophobicContact CE2-CG 4Å; F620-P1910 HydrophobicContact CZ-CG 3.93Å
621	A	29	Very low	37.1	Very low	77 Å²	77	107.4 Å²	107.4	64%	0.636	60%	0.595	S	S	*	*				50.4	136.7	76.9	0	0	0	0	0	114.5
622	P	36	Very low	36.8	Very low	117 Å²	117	110.5 Å²	110.5	76%	0.76	61%	0.609	S	S	*	*				-136.6	171.6	116.5	40.2	-32.8	0	0	0	112.5
623	V	35.5	Very low	37.4	Very low	112 Å²	112	110 Å²	110	68%	0.679	61%	0.606	S	S	*	*			trans	71.4	88.3	170.8	-175.1	0	0	0	0	111.9
624	E	39.4	Very low	37.8	Very low	158 Å²	158	111.2 Å²	111.2	74%	0.738	63%	0.629	S	S	*	*				82.1	126.3	87.9	-80.6	165.3	-139	0	0	111.7
625	L	45.9	Very low	38.3	Very low	118 Å²	118	111.6 Å²	111.6	62%	0.618	64%	0.638	S	S	*	*			cis	-146.5	-177	5.4	-70.5	113.5	0	0	0	110.7
626	E	40.7	Very low	38.3	Very low	168 Å²	168	112 Å²	112	79%	0.785	64%	0.639	S	S	*	*			trans	28.4	133.4	134.3	-63.1	149.2	-172.3	0	0	119.2
627	S	46.3	Very low	38.9	Very low	84 Å²	84	107.5 Å²	107.5	59%	0.587	64%	0.636	S	S	*	*			cis	-169.6	175.2	-4.1	53.9	0	0	0	0	110
628	E	42.1	Very low	39	Very low	86 Å²	86	109.8 Å²	109.8	40%	0.402	64%	0.642	S	S	.	*			trans	78	120.9	137.5	-87.4	169.9	-77.8	0	0	125.5	G11 V12 F13	G11-E628 VanDerWaalsContact C-CD 3.45Å; G11-E628 VanDerWaalsContact CA-CG 3.43Å; G11-E628 WeakPolarHBondContact O-CG 3.4Å; V12-E628 VanDerWaalsContact C-CD 3.41Å; V12-E628 VanDerWaalsContact C-OE2 3.23Å; V12-E628 PolarHBondContact N-OE2 3.12Å; F13-E628 VanDerWaalsContact N-CD 3.33Å; F13-E628 PolarHBondContact N-OE1 2.84Å; F13-E628 PolarHBondContact N-OE2 2.85Å
629	A	45.5	Very low	39.2	Very low	53 Å²	53	117 Å²	117	44%	0.438	66%	0.662	S	S	.	*				89.4	122.6	111.6	0	0	0	0	0	121.1
630	L	42.3	Very low	39.4	Very low	149 Å²	149	118.7 Å²	118.7	78%	0.78	67%	0.665	S	S	*	*			trans	68	115.3	148.6	-59.3	169.1	0	0	0	115.4
631	A	42.8	Very low	39.6	Very low	80 Å²	80	118.3 Å²	118.3	66%	0.661	66%	0.659	S	S	*	*				71.1	142.6	71.1	0	0	0	0	0	111.9
632	E	40.3	Very low	40	Very low	167 Å²	167	119.9 Å²	119.9	78%	0.78	66%	0.656	S	S	*	*			cis	-160.6	173	14.9	-144.9	177.3	131.2	0	0	110.2
633	T	41	Very low	40.1	Very low	118 Å²	118	117.8 Å²	117.8	72%	0.724	64%	0.638	S	S	*	*			trans	60.3	116.2	160.6	54.2	0	0	0	0	118.5
634	A	39.8	Very low	40	Very low	99 Å²	99	118 Å²	118	82%	0.818	63%	0.632	S	S	*	*				80.4	142.5	70.3	0	0	0	0	0	113.7
635	A	39.1	Very low	40	Very low	98 Å²	98	115.9 Å²	115.9	81%	0.81	62%	0.622	S	S	*	*			cis	-147.9	167.6	3.4	0	0	0	0	0	113.2
636	Q	30.2	Very low	39.7	Very low	141 Å²	141	113 Å²	113	66%	0.659	61%	0.609	S	S	*	*			trans	-90.4	-151.9	156.3	-62.7	-177.7	-0.3	0	0	107.6	Q1921	Q636-Q1921 VanDerWaalsContact OE1-NE2 3.1Å
637	P	46.7	Very low	39.5	Very low	101 Å²	101	107.8 Å²	107.8	66%	0.656	59%	0.591	S	S	*	*			cis	-146.6	-153.2	-1	42.7	-18.8	0	0	0	116.1
638	E	37.4	Very low	39	Very low	114 Å²	114	106 Å²	106	53%	0.533	57%	0.573	S	S	.	*			trans	70.7	152.9	176.8	-60.6	-47	146.3	0	0	116.2	R641	E638-R641 IonicContact OE1-CZ 3.5Å; E638-R641 IonicContact OE1-NH1 3.68Å; E638-R641 PolarHBondContact OE1-NH1 3.36Å; E638-R641 IonicContact OE1-NH2 3.47Å; E638-R641 IonicContact OE2-NH1 2.71Å; E638-R641 PolarHBondContact OE2-NH1 2.77Å
639	R	37.6	Very low	38.9	Very low	199 Å²	199	106.8 Å²	106.8	75%	0.751	58%	0.583	S	S	*	*	S	Bend	cis	-140.9	145.5	-5.8	-127.6	-178.3	75	-167	5.2	105.1
640	E	35.8	Very low	38.5	Very low	112 Å²	112	109.8 Å²	109.8	52%	0.523	59%	0.591	S	S	.	*			cis	-124.8	179.3	5	-81.8	178.8	-144	0	0	109.5
641	R	38.9	Very low	38.4	Very low	134 Å²	134	105.9 Å²	105.9	51%	0.506	59%	0.586	S	S	.	*			cis	68.2	138.8	32.9	-62.9	-164.5	171	98.6	-1.3	113.2	E638 L643 Y1920	E638-R641 IonicContact OE1-CZ 3.5Å; E638-R641 IonicContact OE1-NH1 3.68Å; E638-R641 PolarHBondContact OE1-NH1 3.36Å; E638-R641 IonicContact OE1-NH2 3.47Å; E638-R641 IonicContact OE2-NH1 2.71Å; E638-R641 PolarHBondContact OE2-NH1 2.77Å; R641-L643 HydrophobicContact CB-CD1 4.49Å; R641-L643 HydrophobicContact CG-CD1 3.89Å; R641-Y1920 VanDerWaalsContact CA-OH 3.3Å; R641-Y1920 WeakPolarHBondContact CA-OH 3.25Å; R641-Y1920 PolarHBondContact N-OH 2.91Å; R641-Y1920 VanDerWaalsContact N-OH 3.15Å
642	L	37.4	Very low	37.9	Very low	110 Å²	110	109 Å²	109	58%	0.576	59%	0.591	S	S	*	*			cis	-122.8	161.5	3.9	-69.1	166.5	0	0	0	110.1
643	L	37.3	Very low	37.7	Very low	72 Å²	72	105.7 Å²	105.7	38%	0.377	58%	0.583	S	S	.	*			cis	-164.1	158.7	-35.6	-151.8	64.9	0	0	0	109.4	R641	R641-L643 HydrophobicContact CB-CD1 4.49Å; R641-L643 HydrophobicContact CG-CD1 3.89Å
644	E	34.5	Very low	37.5	Very low	117 Å²	117	109.3 Å²	109.3	55%	0.547	59%	0.589	S	S	.	*			trans	25.8	159.1	150.3	-74.3	141.4	-139.5	0	0	123
645	H	37.8	Very low	37.5	Very low	114 Å²	114	110 Å²	110	53%	0.528	59%	0.588	S	S	.	*			cis	-134.8	153.7	3.9	-144.7	-104.6	0	0	0	106.5	S1918 S1919	H645-S1918 CarbonylContact C-O 3.59Å; H645-S1918 VanDerWaalsContact O-CB 3.26Å; H645-S1918 WeakPolarHBondContact O-CB 2.92Å; H645-S1918 PolarHBondContact O-OG 2.91Å; H645-S1919 VanDerWaalsContact CA-OG 3.26Å; H645-S1919 WeakPolarHBondContact CA-OG 3.38Å; H645-S1919 PolarHBondContact N-OG 2.79Å; H645-S1919 PolarHBondContact O-OG 3.23Å
646	V	39.9	Very low	37.6	Very low	56 Å²	56	109 Å²	109	34%	0.339	59%	0.587	S	S	.	*			cis	71.4	138.4	40.2	-179.9	0	0	0	0	113.8	E4 S1918 S1919	E4-V646 WeakPolarHBondContact OE1-CG1 3.46Å; V646-S1918 PolarHBondContact N-O 2.75Å; V646-S1919 PolarHBondContact N-OG 2.72Å
647	C	36.7	Very low	37.8	Very low	60 Å²	60	109.9 Å²	109.9	41%	0.405	60%	0.596	S	S	.	*			trans	-160.8	147.8	-165.2	-104.6	0	0	0	0	109.1	E2 E4	E2-C647 HydrophobicContact CG-CB 4.42Å; E2-C647 WeakPolarHBondContact OE1-CB 3.38Å; E2-C647 PolarHBondContact OE1-SG 3.27Å; E4-C647 VanDerWaalsContact CD-C 3.4Å; E4-C647 WeakPolarHBondContact CG-O 3.18Å
648	H	37.1	Very low	37.2	Very low	46 Å²	46	109.6 Å²	109.6	21%	0.213	60%	0.596	C	S	.	*			cis	176.3	-168.5	25.3	147.6	132.4	0	0	0	110.1	E2 A3 E4 E85	E2-H648 VanDerWaalsContact CD-CG 3.5Å; E2-H648 HydrophobicContact CG-CB 3.97Å; E2-H648 WeakPolarHBondContact OE1-CB 3.18Å; E2-H648 IonicContact OE1-CE1 3.55Å; E2-H648 IonicContact OE1-CG 3.31Å; E2-H648 VanDerWaalsContact OE1-CG 3.31Å; E2-H648 IonicContact OE1-ND1 2.77Å; E2-H648 PolarHBondContact OE1-ND1 3.33Å; E2-H648 IonicContact OE2-CE1 3.02Å; E2-H648 PolarHBondContact OE2-CE1 2.73Å; E2-H648 IonicContact OE2-CG 3.97Å; E2-H648 IonicContact OE2-ND1 3.15Å; E2-H648 PolarHBondContact OE2-ND1 2.82Å; E2-H648 VanDerWaalsContact OE2-ND1 3.15Å; E2-H648 IonicContact OE2-NE2 3.81Å; A3-H648 VanDerWaalsContact CB-C 3.48Å; A3-H648 HydrophobicContact CB-CB 3.77Å; A3-H648 WeakPolarHBondContact CB-O 3.26Å; E4-H648 PolarHBondContact OE2-N 3.35Å; E85-H648 PolarHBondContact N-CE1 3.3Å
649	V	39.7	Very low	36.9	Very low	102 Å²	102	110 Å²	110	62%	0.618	61%	0.612	S	S	*	*			trans	111.3	153.5	155.1	106.4	0	0	0	0	117.9	A3	A3-V649 HydrophobicContact CB-CB 3.66Å; A3-V649 HydrophobicContact CB-CG1 4.34Å; A3-V649 HydrophobicContact CB-CG2 4.26Å
650	I	36.3	Very low	36.8	Very low	117 Å²	117	103.8 Å²	103.8	60%	0.6	61%	0.61	S	S	*	*			trans	-137.4	149	-166.2	-67.7	168	0	0	0	108.3	Y86	Y86-I650 VanDerWaalsContact O-CD1 3.32Å; Y86-I650 WeakPolarHBondContact O-CD1 3.18Å
651	G	39.7	Very low	36.6	Very low	66 Å²	66	105.8 Å²	105.8	68%	0.68	62%	0.624	S	S	*	*			trans	113.2	154.3	162.4	0	0	0	0	0	115.5
652	D	32.7	Very low	36.4	Very low	145 Å²	145	105.2 Å²	105.2	78%	0.775	64%	0.635	S	S	*	*			cis	-155.8	141.7	5.5	-141.9	4.4	0	0	0	114.6
653	T	35.3	Very low	36.3	Very low	99 Å²	99	106.8 Å²	106.8	61%	0.607	64%	0.643	S	S	*	*			trans	40.1	133.3	161	64.1	0	0	0	0	122.1
654	F	36.6	Very low	36.2	Very low	194 Å²	194	107.8 Å²	107.8	85%	0.851	66%	0.656	S	S	*	*				-171.2	147.9	95	-113.4	-80.9	0	0	0	114.5
655	S	41.8	Very low	36.1	Very low	112 Å²	112	107.1 Å²	107.1	78%	0.783	66%	0.664	S	S	*	*			trans	-44.1	153.1	179.5	-42.3	0	0	0	0	118.2
656	G	39.9	Very low	35.7	Very low	77 Å²	77	108 Å²	108	79%	0.794	67%	0.672	S	S	*	*			trans	164.6	82.8	155.7	0	0	0	0	0	116.3	S658	G656-S658 PolarHBondContact O-N 3.37Å
657	D	34.9	Very low	35.1	Very low	161 Å²	161	113.8 Å²	113.8	86%	0.861	69%	0.693	S	S	*	*			trans	-51.6	128.8	-175	-73	-50.5	0	0	0	116.5
658	S	33.5	Very low	35.1	Very low	94 Å²	94	114 Å²	114	66%	0.657	69%	0.693	S	S	*	*			trans	16	130	142.9	67.9	0	0	0	0	121.2	G656	G656-S658 PolarHBondContact O-N 3.37Å
659	S	31.4	Very low	35.6	Very low	123 Å²	123	116.3 Å²	116.3	86%	0.86	71%	0.714	S	S	*	*			trans	66.6	129	148.1	78.1	0	0	0	0	119.3
660	G	35.3	Very low	36.3	Very low	68 Å²	68	117.5 Å²	117.5	70%	0.701	72%	0.724	S	S	*	*			cis	156.9	-174.6	-8.7	0	0	0	0	0	113.4
661	N	32	Very low	36.5	Very low	155 Å²	155	115.4 Å²	115.4	83%	0.829	72%	0.72	S	S	*	*			trans	53.4	116.3	152.8	-79.5	-14.2	0	0	0	121
662	V	33.9	Very low	36.4	Very low	121 Å²	121	118.8 Å²	118.8	73%	0.733	72%	0.722	S	S	*	*				77	142	128.3	-178.7	0	0	0	0	113.4
663	I	36.3	Very low	36.6	Very low	144 Å²	144	117.6 Å²	117.6	74%	0.738	72%	0.72	S	S	*	*			cis	-145.7	145.7	33.4	-11.7	-168	0	0	0	113.4
664	S	35.8	Very low	36.7	Very low	93 Å²	93	120 Å²	120	65%	0.65	73%	0.729	S	S	*	*			trans	49.6	107.7	139	68.1	0	0	0	0	121.8
665	S	31.6	Very low	36.7	Very low	102 Å²	102	116.3 Å²	116.3	71%	0.713	72%	0.722	S	S	*	*				50.1	121	122.4	70.4	0	0	0	0	121.8
666	D	29.2	Very low	36.6	Very low	132 Å²	132	117.7 Å²	117.7	71%	0.706	72%	0.719	S	S	*	*			trans	-94.9	140.1	138.9	-89.1	-34.3	0	0	0	108.6	T668	D666-T668 VanDerWaalsContact CA-N 3.31Å; D666-T668 HydrophobicContact CB-CG2 4.19Å; D666-T668 PolarHBondContact OD1-N 3.18Å; D666-T668 VanDerWaalsContact OD1-N 3.17Å
667	F	27.1	Very low	36.6	Very low	179 Å²	179	119.8 Å²	119.8	79%	0.785	71%	0.712	S	S	*	*			cis	38.9	46	-7.2	-95	-61.8	0	0	0	118.3	S669	F667-S669 VanDerWaalsContact C-N 3.32Å; F667-S669 VanDerWaalsContact O-CB 3.29Å; F667-S669 WeakPolarHBondContact O-CB 2.99Å; F667-S669 PolarHBondContact O-N 2.71Å
668	T	36.1	Very low	37	Very low	64 Å²	64	117.8 Å²	117.8	39%	0.393	71%	0.708	S	S	.	*			trans	-47.9	102.1	143.6	21.1	0	0	0	0	107.1	D666 P670 S671	D666-T668 VanDerWaalsContact CA-N 3.31Å; D666-T668 HydrophobicContact CB-CG2 4.19Å; D666-T668 PolarHBondContact OD1-N 3.18Å; D666-T668 VanDerWaalsContact OD1-N 3.17Å; T668-P670 CarbonylContact O-C 3.46Å; T668-P670 WeakPolarHBondContact O-CA 3.48Å; T668-S671 PolarHBondContact O-N 3.29Å
669	S	47.9	Very low	37.1	Very low	95 Å²	95	118.7 Å²	118.7	66%	0.664	71%	0.714	S	S	*	*	S	Bend	trans	-119.3	95.1	-162.1	-163.9	0	0	0	0	112.4	F667	F667-S669 VanDerWaalsContact C-N 3.32Å; F667-S669 VanDerWaalsContact O-CB 3.29Å; F667-S669 WeakPolarHBondContact O-CB 2.99Å; F667-S669 PolarHBondContact O-N 2.71Å
670	P	54.6	Low	37.5	Very low	126 Å²	126	119 Å²	119	82%	0.818	72%	0.716	S	S	*	*	S	Bend	cis	-85.8	11.8	-6.5	-9.6	30	0	0	0	114.7	T668	T668-P670 CarbonylContact O-C 3.46Å; T668-P670 WeakPolarHBondContact O-CA 3.48Å
671	S	40	Very low	38.2	Very low	74 Å²	74	121.1 Å²	121.1	52%	0.517	72%	0.72	S	S	.	*			trans	-165.1	159.8	-161.6	-45.8	0	0	0	0	116.9	T668	T668-S671 PolarHBondContact O-N 3.29Å
672	D	38.2	Very low	38.3	Very low	137 Å²	137	123.2 Å²	123.2	73%	0.733	72%	0.723	S	S	*	*			trans	56.2	154	148	-60.2	0.4	0	0	0	126.6
673	V	38	Very low	38	Very low	119 Å²	119	122.2 Å²	122.2	72%	0.721	72%	0.721	S	S	*	*			cis	178.4	157	-27.6	76.2	0	0	0	0	116.2
674	L	36.8	Very low	37.6	Very low	151 Å²	151	122.9 Å²	122.9	79%	0.791	72%	0.724	S	S	*	*			trans	79.4	162.1	159.2	-64.8	174.8	0	0	0	123.8
675	V	36.2	Very low	37.3	Very low	116 Å²	116	122.7 Å²	122.7	70%	0.703	72%	0.723	S	S	*	*			cis	178.4	129.6	-48.1	131.4	0	0	0	0	118.3
676	L	39.8	Very low	37.3	Very low	140 Å²	140	124.8 Å²	124.8	73%	0.733	73%	0.726	S	S	*	*			trans	54.1	138.3	141.9	-51.6	171	0	0	0	131.3
677	N	41	Very low	37.8	Very low	122 Å²	122	123.5 Å²	123.5	65%	0.652	73%	0.728	S	S	*	*				61	-154.4	125.9	-51.3	0.2	0	0	0	128.2
678	P	43.4	Very low	38.5	Very low	119 Å²	119	119.5 Å²	119.5	77%	0.773	72%	0.722	S	S	*	*				-125.3	-121.9	-118.8	42.4	-20.9	0	0	0	121.4
679	S	34.6	Very low	39	Very low	112 Å²	112	121.7 Å²	121.7	78%	0.783	74%	0.735	S	S	*	*			trans	-126.2	178.5	-145	65.6	0	0	0	0	121.4
680	S	40.8	Very low	38.8	Very low	129 Å²	129	121.4 Å²	121.4	90%	0.902	73%	0.733	S	S	*	*			trans	100.1	171.5	174.8	82.2	0	0	0	0	119.6
681	S	50	Low	38.1	Very low	113 Å²	113	120.3 Å²	120.3	79%	0.79	73%	0.727	S	S	*	*			trans	-142.2	142.9	-157.2	77.1	0	0	0	0	121.8
682	F	33.6	Very low	37.8	Very low	200 Å²	200	123.9 Å²	123.9	88%	0.877	74%	0.739	S	S	*	*	S	Bend	trans	85.9	118.3	159.5	-122.5	-73.9	0	0	0	121
683	S	27	Very low	37.7	Very low	100 Å²	100	122.8 Å²	122.8	70%	0.699	74%	0.741	S	S	*	*	S	Bend	trans	72.9	111.9	174.8	70.8	0	0	0	0	118.2
684	I	27.1	Very low	37.7	Very low	157 Å²	157	120.7 Å²	120.7	81%	0.805	74%	0.736	S	S	*	*	S	Bend	trans	76.7	97.1	159.9	-56.6	173.4	0	0	0	116.2
685	S	29.6	Very low	37.6	Very low	89 Å²	89	121 Å²	121	62%	0.622	74%	0.738	S	S	*	*			trans	54	127.9	152	53.8	0	0	0	0	120.2
686	D	32.9	Very low	37.6	Very low	147 Å²	147	120.1 Å²	120.1	79%	0.786	74%	0.738	S	S	*	*			cis	-156.8	161.8	0.2	-88.5	-38.1	0	0	0	110.6
687	S	39.4	Very low	37.6	Very low	105 Å²	105	117.9 Å²	117.9	73%	0.734	73%	0.734	S	S	*	*			trans	52.2	118.6	162	48.8	0	0	0	0	119.9
688	S	41.5	Very low	37.4	Very low	94 Å²	94	119.2 Å²	119.2	66%	0.657	74%	0.741	S	S	*	*			cis	80.5	127	48	76.9	0	0	0	0	114.7
689	T	46	Very low	37.2	Very low	111 Å²	111	119.2 Å²	119.2	68%	0.681	74%	0.738	S	S	*	*			cis	-178.6	153.8	-1.5	22.6	0	0	0	0	110.4
690	S	44.6	Very low	37.3	Very low	88 Å²	88	121.7 Å²	121.7	62%	0.615	74%	0.735	S	S	*	*			cis	179.7	-14.4	-17.5	47.6	0	0	0	0	117.7
691	C	39.6	Very low	37	Very low	103 Å²	103	120 Å²	120	70%	0.696	72%	0.723	S	S	*	*			trans	-158.8	158.8	-139.9	50.8	0	0	0	0	116.8
692	I	33.7	Very low	36.1	Very low	150 Å²	150	121.8 Å²	121.8	77%	0.769	72%	0.724	S	S	*	*			cis	179.7	166.6	-15.1	-165	168.9	0	0	0	110.9
693	C	36.6	Very low	36.1	Very low	114 Å²	114	118.9 Å²	118.9	77%	0.77	72%	0.722	S	S	*	*			trans	86.8	145.9	156.6	-71.7	0	0	0	0	120.8
694	A	37.3	Very low	36.4	Very low	74 Å²	74	119.6 Å²	119.6	61%	0.612	73%	0.727	S	S	*	*			cis	-174.5	165.4	-16.7	0	0	0	0	0	113.9
695	D	35.2	Very low	36.8	Very low	157 Å²	157	117.8 Å²	117.8	84%	0.84	72%	0.723	S	S	*	*			trans	68.6	151.9	153.3	-57.2	-23.4	0	0	0	120.6
696	S	36.4	Very low	36.9	Very low	99 Å²	99	122.9 Å²	122.9	69%	0.692	74%	0.735	S	S	*	*			cis	-173.6	166.4	-16	56.9	0	0	0	0	114.8
697	S	39.3	Very low	36.8	Very low	93 Å²	93	123.8 Å²	123.8	65%	0.65	73%	0.734	S	S	*	*			trans	67.9	154.1	150.7	51.8	0	0	0	0	121.6
698	D	36.5	Very low	36.5	Very low	150 Å²	150	123.1 Å²	123.1	80%	0.802	73%	0.729	S	S	*	*			cis	-179.3	179.2	-14.7	-90.8	-23.3	0	0	0	107.5
699	V	39.8	Very low	36.1	Very low	118 Å²	118	120.9 Å²	120.9	72%	0.715	71%	0.711	S	S	*	*			cis	164.8	137.6	-34	151.6	0	0	0	0	106.2
700	F	35.2	Very low	35.7	Very low	165 Å²	165	124.3 Å²	124.3	72%	0.724	72%	0.717	S	S	*	*			cis	-155.4	159.1	4	-119	-148	0	0	0	107.7
701	S	35.5	Very low	35.4	Very low	93 Å²	93	126 Å²	126	65%	0.65	73%	0.729	S	S	*	*				64.6	144.1	73.7	-43.6	0	0	0	0	117.9
702	D	31.3	Very low	34.8	Very low	150 Å²	150	126.7 Å²	126.7	80%	0.802	73%	0.734	S	S	*	*				171.9	159	121.6	-95.2	-2.3	0	0	0	118.2
703	V	34	Very low	34.6	Very low	140 Å²	140	123 Å²	123	85%	0.848	72%	0.719	S	S	*	*			trans	-128.9	147.3	173.4	169.2	0	0	0	0	109.1
704	S	32.1	Very low	34.6	Very low	114 Å²	114	121.6 Å²	121.6	80%	0.797	71%	0.711	S	S	*	*			trans	-157.5	147.1	162.4	68.1	0	0	0	0	116
705	V	35.6	Very low	34.5	Very low	120 Å²	120	121.9 Å²	121.9	73%	0.727	71%	0.713	S	S	*	*			trans	-138.9	149.1	165.2	-165.9	0	0	0	0	109.1
706	F	32	Very low	34.5	Very low	195 Å²	195	121.7 Å²	121.7	86%	0.855	71%	0.711	S	S	*	*			trans	61.1	104.5	175.3	-74.3	-66.7	0	0	0	118.7
707	H	30.3	Very low	34.3	Very low	167 Å²	167	122 Å²	122	77%	0.773	71%	0.713	S	S	*	*			trans	-124.4	102	147.8	-146.7	-89.2	0	0	0	110.5	V709	H707-V709 WeakPolarHBondContact ND1-CG2 3.18Å; H707-V709 PolarHBondContact O-N 3.06Å
708	S	33.9	Very low	34.1	Very low	90 Å²	90	123 Å²	123	63%	0.629	71%	0.714	S	S	*	*			trans	-80.2	111.6	178.9	68.8	0	0	0	0	111	F710	S708-F710 WeakPolarHBondContact O-CD2 3Å
709	V	32.9	Very low	34.2	Very low	48 Å²	48	121.4 Å²	121.4	29%	0.291	71%	0.711	S	S	.	*			trans	-111	37.3	-174.3	158.2	0	0	0	0	111.6	H707 C712 P713	H707-V709 WeakPolarHBondContact ND1-CG2 3.18Å; H707-V709 PolarHBondContact O-N 3.06Å; V709-C712 WeakPolarHBondContact O-CA 2.92Å; V709-C712 PolarHBondContact O-N 2.98Å; V709-P713 WeakPolarHBondContact O-CD 3.46Å
710	F	37.7	Very low	34.1	Very low	182 Å²	182	120.8 Å²	120.8	80%	0.798	71%	0.711	S	S	*	*			trans	49.6	-153	158.8	-73.9	-99	0	0	0	115	S708 C712 P713	S708-F710 WeakPolarHBondContact O-CD2 3Å; F710-C712 PolarHBondContact O-N 2.8Å; F710-P713 HydrophobicContact CB-CG 4.42Å
711	S	38.5	Very low	34.2	Very low	123 Å²	123	117.4 Å²	117.4	86%	0.86	71%	0.708	S	S	*	*	S	Bend	trans	-68.8	80.3	150.7	-54.4	0	0	0	0	109
712	C	26.5	Very low	34.3	Very low	118 Å²	118	123.2 Å²	123.2	80%	0.797	72%	0.718	S	S	*	*	S	Bend	trans	25.8	92.2	177.7	-63.2	0	0	0	0	117.9	V709 F710	V709-C712 WeakPolarHBondContact O-CA 2.92Å; V709-C712 PolarHBondContact O-N 2.98Å; F710-C712 PolarHBondContact O-N 2.8Å
713	P	31	Very low	34.6	Very low	72 Å²	72	120.5 Å²	120.5	47%	0.468	71%	0.71	S	S	.	*			trans	-133	105.1	147.6	34.3	-18.7	0	0	0	112.7	V709 F710	V709-P713 WeakPolarHBondContact O-CD 3.46Å; F710-P713 HydrophobicContact CB-CG 4.42Å
714	S	35.6	Very low	34.7	Very low	85 Å²	85	121.6 Å²	121.6	59%	0.594	71%	0.706	S	S	*	*			trans	56.7	126.1	147.9	-41.5	0	0	0	0	118.7
715	A	34.6	Very low	35.2	Very low	80 Å²	80	120.5 Å²	120.5	66%	0.661	70%	0.696	S	S	*	*				65.5	147	50.5	0	0	0	0	0	114.7
716	I	35.4	Very low	35	Very low	154 Å²	154	123.6 Å²	123.6	79%	0.79	70%	0.7	S	S	*	*			trans	77.8	130	179.7	-47.6	146.1	0	0	0	111.8	V718	I716-V718 HydrophobicContact CG2-CG2 4.45Å
717	S	33.6	Very low	35.1	Very low	106 Å²	106	120.1 Å²	120.1	74%	0.741	70%	0.695	S	S	*	*			cis	-109.6	151.3	10	57.7	0	0	0	0	112.2
718	V	35.1	Very low	34.8	Very low	112 Å²	112	116.8 Å²	116.8	68%	0.679	69%	0.69	S	S	*	*			cis	69	121.3	42	-173.9	0	0	0	0	108.8	I716	I716-V718 HydrophobicContact CG2-CG2 4.45Å
719	T	37.7	Very low	35.2	Very low	118 Å²	118	117.9 Å²	117.9	72%	0.724	70%	0.695	S	S	*	*			cis	-156.4	151.6	42.8	-27.6	0	0	0	0	112.9
720	S	37.4	Very low	35	Very low	104 Å²	104	119.7 Å²	119.7	73%	0.727	72%	0.715	S	S	*	*			trans	62.6	145.9	146.7	49.2	0	0	0	0	119.8
721	S	37.7	Very low	34.6	Very low	95 Å²	95	116.1 Å²	116.1	66%	0.664	71%	0.713	S	S	*	*			cis	-160.6	138.7	8.8	14.7	0	0	0	0	112.9
722	Y	37.1	Very low	34.1	Very low	215 Å²	215	115.7 Å²	115.7	84%	0.843	71%	0.71	S	S	*	*			trans	44	138.6	143.7	-66.9	-97.9	0	0	0	119.6
723	S	38.7	Very low	34.4	Very low	93 Å²	93	114.7 Å²	114.7	65%	0.65	70%	0.704	S	S	*	*			cis	-161.6	136.9	8.5	6.2	0	0	0	0	107
724	E	34.9	Very low	34.4	Very low	163 Å²	163	116.9 Å²	116.9	76%	0.762	72%	0.716	S	S	*	*				60.8	150	87	-74.4	-164.1	139.3	0	0	115.6
725	P	43	Very low	34	Very low	90 Å²	90	119 Å²	119	58%	0.584	73%	0.725	S	S	*	*			cis	-154.4	-170.4	-31.5	44	-26.5	0	0	0	115.8
726	F	32.6	Very low	33.7	Very low	186 Å²	186	120.7 Å²	120.7	82%	0.816	73%	0.727	S	S	*	*			trans	52.3	146.6	149.8	-72.8	-75.8	0	0	0	119.9
727	V	32.8	Very low	33.3	Very low	122 Å²	122	122.6 Å²	122.6	74%	0.739	73%	0.73	S	S	*	*			cis	-176	174.9	-23.4	103.7	0	0	0	0	108.6
728	S	24.9	Very low	33.1	Very low	97 Å²	97	123.9 Å²	123.9	68%	0.678	74%	0.738	S	S	*	*			trans	-68.9	-178.8	172.3	60.4	0	0	0	0	113.5
729	P	41	Very low	32.8	Very low	113 Å²	113	126.6 Å²	126.6	73%	0.734	74%	0.743	S	S	*	*			cis	-141.2	179.9	4.6	45	-27.2	0	0	0	117.3
730	A	29.4	Very low	32.3	Very low	85 Å²	85	124 Å²	124	70%	0.702	74%	0.74	S	S	*	*			trans	68.9	131.4	140.8	0	0	0	0	0	123.8
731	S	28.8	Very low	31.8	Very low	107 Å²	107	129.4 Å²	129.4	75%	0.748	75%	0.75	S	S	*	*			trans	79.3	133.9	140.2	70	0	0	0	0	121.7
732	S	29.2	Very low	31.5	Very low	115 Å²	115	129.5 Å²	129.5	80%	0.804	75%	0.751	S	S	*	*			trans	65	145.9	163.9	65.3	0	0	0	0	118
733	S	31.5	Very low	31.3	Very low	97 Å²	97	123.6 Å²	123.6	68%	0.678	74%	0.742	S	S	*	*			cis	-169.6	152.4	-14.3	46.4	0	0	0	0	111.6
734	T	30.9	Very low	31	Very low	118 Å²	118	123.6 Å²	123.6	72%	0.724	74%	0.738	S	S	*	*			trans	51.4	114.6	147.2	55.3	0	0	0	0	121.8
735	V	27.2	Very low	30.9	Very low	128 Å²	128	121.9 Å²	121.9	78%	0.776	74%	0.741	S	S	*	*				49.3	130.3	129	-158	0	0	0	0	120.2
736	T	29.6	Very low	30.3	Very low	116 Å²	116	122.4 Å²	122.4	71%	0.712	74%	0.742	S	S	*	*				144.6	116.9	127.9	-54.9	0	0	0	0	112.4
737	F	25.5	Very low	30.2	Very low	194 Å²	194	119.3 Å²	119.3	85%	0.851	74%	0.738	S	S	*	*			trans	2.4	125.5	158.7	-61.4	-102.6	0	0	0	120
738	C	30.1	Very low	30.4	Very low	133 Å²	133	117.8 Å²	117.8	90%	0.899	73%	0.733	S	S	*	*				-167.4	168.9	123.5	-100.8	0	0	0	0	112.3
739	H	28.7	Very low	30.4	Very low	169 Å²	169	121 Å²	121	78%	0.782	74%	0.735	S	S	*	*			trans	-52.9	158.3	178	-79.4	-114.8	0	0	0	114.6
740	G	28.1	Very low	30.2	Very low	64 Å²	64	121.5 Å²	121.5	66%	0.66	74%	0.736	S	S	*	*				103.7	107.8	126.5	0	0	0	0	0	115.7	S742	G740-S742 PolarHBondContact O-N 3.16Å
741	F	26.7	Very low	30.4	Very low	217 Å²	217	123.7 Å²	123.7	95%	0.952	73%	0.731	S	S	*	*			trans	-40.1	121.9	167	-65.4	-96.2	0	0	0	114.4
742	S	30.5	Very low	30.9	Very low	97 Å²	97	122.5 Å²	122.5	68%	0.678	72%	0.723	S	S	*	*			trans	-161.7	109.1	135.9	147.8	0	0	0	0	106.9	G740	G740-S742 PolarHBondContact O-N 3.16Å
743	S	33.3	Very low	31.3	Very low	92 Å²	92	124.1 Å²	124.1	64%	0.643	72%	0.715	S	S	*	*				76.8	138.1	84.4	97.4	0	0	0	0	112.1
744	T	31.8	Very low	31.5	Very low	93 Å²	93	125.8 Å²	125.8	57%	0.571	72%	0.716	S	S	*	*			cis	-165.3	173	-10	23.7	0	0	0	0	106.6	V746	T744-V746 HydrophobicContact CG2-CG2 4.24Å
745	P	32.6	Very low	31.8	Very low	127 Å²	127	123.5 Å²	123.5	83%	0.825	71%	0.705	S	S	*	*	S	Bend	cis	-73.8	131.4	47.8	21.7	-33.4	0	0	0	112.6
746	V	32.2	Very low	32.3	Very low	100 Å²	100	120 Å²	120	61%	0.606	68%	0.682	S	S	*	*			cis	76.5	77.9	49.3	176.8	0	0	0	0	103.1	T744	T744-V746 HydrophobicContact CG2-CG2 4.24Å
747	V	30.3	Very low	32.6	Very low	121 Å²	121	117.9 Å²	117.9	73%	0.733	67%	0.666	S	S	*	*				77.7	127.1	85.6	161.9	0	0	0	0	107.1
748	S	35.5	Very low	33	Very low	91 Å²	91	112.6 Å²	112.6	64%	0.636	65%	0.646	S	S	*	*			cis	-127.7	174	17.5	45.5	0	0	0	0	110
749	F	25.7	Very low	33.1	Very low	163 Å²	163	109.7 Å²	109.7	72%	0.715	63%	0.627	S	S	*	*			cis	48.9	145.5	49.9	-71	-106.1	0	0	0	109.9	H751	F749-H751 AromaticContact CD1-CD2 3.78Å; F749-H751 AromaticContact CE1-CD2 3.94Å; F749-H751 AromaticContact CE1-NE2 3.9Å
750	V	37.5	Very low	33.2	Very low	125 Å²	125	108.5 Å²	108.5	76%	0.758	62%	0.62	S	S	*	*			cis	-119	132.9	24.6	161.3	0	0	0	0	106.5
751	H	33.8	Very low	33.2	Very low	130 Å²	130	108.6 Å²	108.6	60%	0.602	61%	0.611	S	S	*	*				61.1	140.8	84.7	-103.3	-137.5	0	0	0	112	F749	F749-H751 AromaticContact CD1-CD2 3.78Å; F749-H751 AromaticContact CE1-CD2 3.94Å; F749-H751 AromaticContact CE1-NE2 3.9Å
752	S	38.3	Very low	33.3	Very low	83 Å²	83	102.3 Å²	102.3	58%	0.58	59%	0.593	S	S	*	*			cis	-170.1	147.2	0.7	27.4	0	0	0	0	114.2
753	K	37	Very low	33	Very low	148 Å²	148	101.9 Å²	101.9	64%	0.643	59%	0.591	S	S	*	*			trans	78.4	125	137.2	-75.1	179.3	179.4	-178.7	0	117.9
754	L	35.7	Very low	32.6	Very low	133 Å²	133	102.7 Å²	102.7	70%	0.696	60%	0.596	S	S	*	*				80.4	139.9	63.1	-78.6	-165	0	0	0	111.4
755	S	36.7	Very low	32.4	Very low	70 Å²	70	102 Å²	102	49%	0.49	60%	0.595	S	S	.	*			cis	-179.4	151.1	15.2	148.9	0	0	0	0	118.2
756	N	39.5	Very low	32.1	Very low	55 Å²	55	105 Å²	105	29%	0.294	59%	0.59	S	S	.	*			trans	89.5	118.7	134.8	-80.5	41.3	0	0	0	124.9	K1622 K1893	N756-K1622 PolarHBondContact ND2-NZ 2.88Å; N756-K1622 VanDerWaalsContact ND2-NZ 3.16Å; N756-K1893 VanDerWaalsContact C-CE 3.45Å; N756-K1893 WeakPolarHBondContact O-CE 3.07Å; N756-K1893 PolarHBondContact O-NZ 2.9Å
757	D	35.2	Very low	31.8	Very low	70 Å²	70	108 Å²	108	37%	0.374	60%	0.595	S	S	.	*				90.6	137.7	118.7	-64	9.8	0	0	0	121.3	K1893	D757-K1893 VanDerWaalsContact N-CG 3.32Å; D757-K1893 WeakPolarHBondContact O-CD 3.09Å; D757-K1893 PolarHBondContact O-NZ 2.84Å
758	I	34.4	Very low	31.7	Very low	84 Å²	84	108.4 Å²	108.4	43%	0.431	60%	0.598	S	S	.	*			cis	107.9	134.8	22.4	-74.8	168.6	0	0	0	109.1	L1892 K1893	I758-L1892 HydrophobicContact CG1-CB 4.48Å; I758-L1892 WeakPolarHBondContact CG1-O 3.5Å; I758-K1893 HydrophobicContact CG1-CB 4.24Å
759	S	31.2	Very low	31.4	Very low	71 Å²	71	111.5 Å²	111.5	50%	0.497	60%	0.602	S	S	.	*			cis	-146.9	-174.9	28.8	76.5	0	0	0	0	112.6	T1891	S759-T1891 CarbonylContact C-O 3.21Å; S759-T1891 WeakPolarHBondContact O-CB 3.24Å; S759-T1891 PolarHBondContact O-OG1 3.37Å
760	F	31.4	Very low	31.5	Very low	144 Å²	144	108.2 Å²	108.2	63%	0.632	61%	0.605	S	S	*	*			cis	-156.3	141.1	-15.2	-137.8	28.6	0	0	0	113.6	K1890 T1891	F760-K1890 CarbonylContact C-O 3.42Å; F760-T1891 VanDerWaalsContact CA-O 3.26Å; F760-T1891 WeakPolarHBondContact CA-O 2.87Å; F760-T1891 PolarHBondContact N-O 2.8Å; F760-T1891 VanDerWaalsContact N-O 3.09Å
761	S	27.6	Very low	31	Very low	67 Å²	67	104.1 Å²	104.1	47%	0.469	59%	0.588	S	S	.	*				36.6	136.1	126.7	-155.3	0	0	0	0	125.5	I1889 K1890	S761-I1889 WeakPolarHBondContact O-CD1 3.14Å; S761-K1890 PolarHBondContact N-O 3.4Å
762	S	29.1	Very low	30.7	Very low	84 Å²	84	104.2 Å²	104.2	59%	0.587	60%	0.597	S	S	*	*			trans	33.6	139.4	148.4	-159.5	0	0	0	0	123.3
763	S	24.2	Very low	30	Very low	89 Å²	89	106 Å²	106	62%	0.622	61%	0.609	S	S	*	*			trans	-68.2	146.1	163.3	-71.5	0	0	0	0	113.7
764	S	25.4	Very low	29.3	Very low	109 Å²	109	104.7 Å²	104.7	76%	0.762	61%	0.61	S	S	*	*			trans	80	144.8	142.7	-160.1	0	0	0	0	121.3
765	S	26.8	Very low	29	Very low	79 Å²	79	107.4 Å²	107.4	55%	0.552	62%	0.616	S	S	*	*			trans	76.8	151.3	166.7	86.6	0	0	0	0	115.6
766	R	25.8	Very low	28.5	Very low	188 Å²	188	109 Å²	109	71%	0.709	62%	0.623	S	S	*	*			cis	-155.7	175.6	15.5	-150.3	161	-57.8	165.1	9.3	111.7
767	F	27.8	Very low	28	Very low	164 Å²	164	114.7 Å²	114.7	72%	0.719	64%	0.641	S	S	*	*			trans	72.3	161.7	173.7	-48.1	-56.6	0	0	0	111.9	H769	F767-H769 HydrophobicContact CD1-CB 3.74Å; F767-H769 HydrophobicContact CE1-CB 4.25Å
768	V	27.3	Very low	27.6	Very low	130 Å²	130	119 Å²	119	79%	0.788	66%	0.66	S	S	*	*			cis	-82.3	113.3	26.7	-171.8	0	0	0	0	113.9	A770	V768-A770 PolarHBondContact O-N 2.81Å
769	H	29.8	Very low	27.5	Very low	155 Å²	155	119.6 Å²	119.6	72%	0.718	67%	0.67	S	S	*	*			trans	-67.6	116.7	146.4	-151	-71.6	0	0	0	104.4	F767 G771	F767-H769 HydrophobicContact CD1-CB 3.74Å; F767-H769 HydrophobicContact CE1-CB 4.25Å; H769-G771 PolarHBondContact O-N 2.87Å
770	A	28.1	Very low	27.2	Very low	95 Å²	95	123.6 Å²	123.6	79%	0.785	69%	0.685	S	S	*	*	S	Bend	trans	-57.9	129.4	179.9	0	0	0	0	0	109.4	V768	V768-A770 PolarHBondContact O-N 2.81Å
771	G	26.2	Very low	27	Very low	38 Å²	38	123.5 Å²	123.5	39%	0.392	69%	0.691	S	S	.	*			cis	162.3	102	-11	0	0	0	0	0	109.4	H769	H769-G771 PolarHBondContact O-N 2.87Å
772	V	28.2	Very low	27.1	Very low	133 Å²	133	122.7 Å²	122.7	81%	0.806	69%	0.685	S	S	*	*			trans	-125.2	80.2	-175.2	-167.7	0	0	0	0	111.3
773	S	22.8	Very low	27	Very low	119 Å²	119	124.3 Å²	124.3	83%	0.832	69%	0.691	S	S	*	*				-131.9	54.7	129.4	-64	0	0	0	0	107.9
774	D	22.8	Very low	27	Very low	122 Å²	122	122.7 Å²	122.7	65%	0.652	68%	0.68	S	S	*	*			trans	-58.8	150.4	148.9	-77.4	-32.3	0	0	0	108.3
775	F	29.7	Very low	27.1	Very low	189 Å²	189	123.5 Å²	123.5	83%	0.829	68%	0.675	S	S	*	*	S	Bend	trans	71.3	77.1	-163.3	-61.4	-83	0	0	0	114.9
776	T	25.9	Very low	27.4	Very low	104 Å²	104	126.7 Å²	126.7	64%	0.638	68%	0.679	S	S	*	*				48.7	140.9	120.9	55.3	0	0	0	0	120.4
777	R	28.4	Very low	27.8	Very low	175 Å²	175	122.6 Å²	122.6	66%	0.66	67%	0.672	S	S	*	*			trans	65.9	166.8	172.5	-74.1	-164.2	-169.8	98.7	1.6	115.1	D1670	R777-D1670 IonicContact CZ-OD2 2.65Å; R777-D1670 IonicContact NH1-OD2 2.59Å; R777-D1670 PolarHBondContact NH1-OD2 2.99Å; R777-D1670 IonicContact NH2-OD2 2.83Å; R777-D1670 PolarHBondContact NH2-OD2 2.84Å
778	M	26.9	Very low	28	Very low	160 Å²	160	118 Å²	118	79%	0.788	66%	0.66	S	S	*	*			cis	-162	173.8	-41.9	-110.6	179.7	87.9	0	0	106
779	P	31.8	Very low	28.1	Very low	97 Å²	97	118.3 Å²	118.3	63%	0.63	66%	0.657	S	S	*	*			trans	-91.8	-164.5	-173.8	38.5	-36.8	0	0	0	113.7
780	L	24.8	Very low	28.4	Very low	154 Å²	154	117.6 Å²	117.6	81%	0.806	66%	0.658	S	S	*	*			trans	84	139	179.1	-43.7	-177.9	0	0	0	112.9
781	D	26.9	Very low	28.7	Very low	142 Å²	142	116.7 Å²	116.7	76%	0.759	65%	0.646	S	S	*	*			cis	-125.2	-169.9	17.9	-70.4	-59.9	0	0	0	114.7
782	S	30.3	Very low	29.1	Very low	51 Å²	51	119.5 Å²	119.5	36%	0.357	67%	0.666	S	S	.	*			trans	-80.2	157.7	175.2	46.2	0	0	0	0	113.5	D1613 S1614 E1615	S782-D1613 PolarHBondContact OG-O 3.35Å; S782-S1614 WeakPolarHBondContact CB-O 3.44Å; S782-S1614 WeakPolarHBondContact OG-CB 3.17Å; S782-S1614 PolarHBondContact OG-O 3.18Å; S782-S1614 PolarHBondContact OG-OG 2.73Å; S782-E1615 PolarHBondContact O-N 3.11Å
783	V	27.2	Very low	29.4	Very low	117 Å²	117	120.2 Å²	120.2	71%	0.709	67%	0.665	S	S	*	*	B	Isolated β-bridge	cis	85.2	64.7	8.1	-160.1	0	0	0	0	118.1	S1614 E1615	V783-S1614 CarbonylContact C-O 3.49Å; V783-E1615 CarbonylContact C-O 3.52Å; V783-E1615 WeakPolarHBondContact CA-O 3.42Å; V783-E1615 VanDerWaalsContact N-N 3.19Å; V783-E1615 PolarHBondContact N-O 2.77Å
784	S	24.4	Very low	29.9	Very low	55 Å²	55	119.8 Å²	119.8	39%	0.385	66%	0.657	S	S	.	*			trans	-174.8	158.5	157.9	76.6	0	0	0	0	114	S1614 E1615	S784-S1614 WeakPolarHBondContact CB-O 2.72Å; S784-S1614 PolarHBondContact N-O 3.1Å; S784-S1614 VanDerWaalsContact N-O 3.15Å; S784-S1614 PolarHBondContact OG-O 2.9Å; S784-E1615 PolarHBondContact N-O 3.46Å; S784-E1615 CarbonylContact O-C 3.01Å; S784-E1615 VanDerWaalsContact O-CA 3.27Å; S784-E1615 WeakPolarHBondContact O-CA 3.05Å; S784-E1615 PolarHBondContact O-N 3.01Å
785	L	26.9	Very low	30.6	Very low	126 Å²	126	117.9 Å²	117.9	66%	0.66	65%	0.653	S	S	*	*			trans	42.4	128.2	161.1	-83.7	74.3	0	0	0	119.9
786	F	32.6	Very low	30.8	Very low	146 Å²	146	117.2 Å²	117.2	64%	0.64	65%	0.652	S	S	*	*				-169.4	172.1	65	-116.4	-72.6	0	0	0	113.4	I1619	F786-I1619 WeakPolarHBondContact O-CD1 3.38Å; F786-I1619 WeakPolarHBondContact O-CG1 3.35Å
787	D	34.1	Very low	30.8	Very low	103 Å²	103	115.6 Å²	115.6	55%	0.551	66%	0.657	S	S	*	*			trans	68.9	73.5	146.6	-77	-35.6	0	0	0	125.3	I1619	D787-I1619 WeakPolarHBondContact O-CD1 3.49Å; D787-I1619 WeakPolarHBondContact O-CG1 3.5Å
788	S	32.3	Very low	30.9	Very low	68 Å²	68	113.3 Å²	113.3	48%	0.476	66%	0.657	S	S	.	*				58.7	134.7	100.7	80.7	0	0	0	0	122.3
789	N	30.3	Very low	31.4	Very low	135 Å²	135	114.6 Å²	114.6	72%	0.722	66%	0.658	S	S	*	*			trans	52	110.6	133.3	-55.7	-5	0	0	0	118.8
790	N	35	Very low	31.3	Very low	140 Å²	140	115.7 Å²	115.7	75%	0.749	66%	0.658	S	S	*	*				-147.7	139.7	57.1	-79.2	-37.4	0	0	0	111.7
791	S	34.4	Very low	32	Very low	76 Å²	76	111.2 Å²	111.2	53%	0.531	65%	0.65	S	S	.	*			cis	87	117	33.9	92	0	0	0	0	114.8
792	A	35.7	Very low	32.4	Very low	98 Å²	98	109.9 Å²	109.9	81%	0.81	64%	0.642	S	S	*	*	S	Bend	trans	-173.4	104.7	137.5	0	0	0	0	0	106.4
793	L	34.3	Very low	32.6	Very low	148 Å²	148	112.3 Å²	112.3	78%	0.775	66%	0.659	S	S	*	*			cis	-131.2	157	-9.2	-80.2	169.8	0	0	0	106.2
794	V	33.7	Very low	32.9	Very low	109 Å²	109	113.4 Å²	113.4	66%	0.661	66%	0.656	S	S	*	*				52.4	124.9	66.1	-172.8	0	0	0	0	109.9
795	S	36.4	Very low	33.2	Very low	83 Å²	83	119 Å²	119	58%	0.58	67%	0.674	S	S	*	*			cis	-144.3	-178.9	26.6	-7.4	0	0	0	0	114.7
796	E	34.3	Very low	33.4	Very low	174 Å²	174	119.3 Å²	119.3	81%	0.813	68%	0.681	S	S	*	*			trans	43.8	75.2	151.7	-73.8	98.9	-112.6	0	0	119.9
797	G	26.6	Very low	33.2	Very low	71 Å²	71	117.4 Å²	117.4	73%	0.732	69%	0.686	S	S	*	*				-90.1	173	114.3	0	0	0	0	0	109.9
798	L	30.1	Very low	32.8	Very low	127 Å²	127	122.9 Å²	122.9	67%	0.665	70%	0.699	S	S	*	*			trans	78.1	80.4	173.6	-154.5	175.9	0	0	0	115.6
799	F	37.7	Very low	32.5	Very low	186 Å²	186	124.6 Å²	124.6	82%	0.816	71%	0.711	S	S	*	*				-164.7	117.3	108.8	-98.8	-81.3	0	0	0	105.7
800	L	30.3	Very low	32.4	Very low	120 Å²	120	123.5 Å²	123.5	63%	0.628	71%	0.709	S	S	*	*			cis	51.5	49.5	14	-87	179.2	0	0	0	113.4	L802	L800-L802 HydrophobicContact CB-CG 4.3Å; L800-L802 HydrophobicContact CD2-CD2 4.33Å; L800-L802 HydrophobicContact CD2-CG 4.18Å; L800-L802 VanDerWaalsContact O-CB 3.32Å; L800-L802 WeakPolarHBondContact O-CB 3.35Å; L800-L802 WeakPolarHBondContact O-CD1 3.28Å; L800-L802 WeakPolarHBondContact O-CG 3.48Å
801	G	39.5	Very low	31.9	Very low	61 Å²	61	126.7 Å²	126.7	63%	0.629	72%	0.719	S	S	*	*				-70.1	108.7	122.7	0	0	0	0	0	106.5
802	L	34.1	Very low	31.7	Very low	114 Å²	114	126.4 Å²	126.4	60%	0.597	72%	0.717	S	S	*	*			cis	44	108.1	36.4	-58.1	178.5	0	0	0	108.4	L800	L800-L802 HydrophobicContact CB-CG 4.3Å; L800-L802 HydrophobicContact CD2-CD2 4.33Å; L800-L802 HydrophobicContact CD2-CG 4.18Å; L800-L802 VanDerWaalsContact O-CB 3.32Å; L800-L802 WeakPolarHBondContact O-CB 3.35Å; L800-L802 WeakPolarHBondContact O-CD1 3.28Å; L800-L802 WeakPolarHBondContact O-CG 3.48Å
803	S	35.2	Very low	31.5	Very low	101 Å²	101	130.8 Å²	130.8	71%	0.706	72%	0.718	S	S	*	*				170.9	165.3	50.3	38.6	0	0	0	0	107
804	Q	32.3	Very low	31.5	Very low	140 Å²	140	128.1 Å²	128.1	65%	0.654	71%	0.712	S	S	*	*			cis	-170.5	-177.1	-11.9	-103.2	164.9	-11.7	0	0	105.1
805	F	32.3	Very low	31.4	Very low	172 Å²	172	131 Å²	131	75%	0.754	72%	0.719	S	S	*	*			trans	65	112.5	159.7	-64.6	-69.9	0	0	0	119.1
806	V	30.7	Very low	31.2	Very low	133 Å²	133	135.2 Å²	135.2	81%	0.806	73%	0.733	S	S	*	*				40.9	87.1	122	-170.1	0	0	0	0	116.8
807	S	27.2	Very low	31.2	Very low	107 Å²	107	132 Å²	132	75%	0.748	73%	0.727	S	S	*	*			trans	-160	141.9	132.3	-82.5	0	0	0	0	106.9
808	R	27.5	Very low	31.7	Very low	218 Å²	218	132 Å²	132	82%	0.823	73%	0.727	S	S	*	*				63.8	96.7	53.7	-154.2	-177.6	-158.1	-178.1	7.2	111.1
809	S	25.3	Very low	32	Very low	104 Å²	104	134.5 Å²	134.5	73%	0.727	73%	0.733	S	S	*	*	S	Bend	trans	61.8	136.3	179.2	46	0	0	0	0	117.6
810	T	27.9	Very low	31.9	Very low	111 Å²	111	131 Å²	131	68%	0.681	73%	0.726	S	S	*	*			trans	52.4	107.4	161.1	51.7	0	0	0	0	118.1	S812	T810-S812 PolarHBondContact O-N 2.72Å
811	E	25.4	Very low	32.1	Very low	207 Å²	207	129.8 Å²	129.8	97%	0.967	72%	0.72	S	S	*	*			trans	-60.7	111.6	135.4	-78.2	-172.5	153.1	0	0	108
812	S	29.5	Very low	32	Very low	70 Å²	70	129.5 Å²	129.5	49%	0.49	70%	0.702	S	S	.	*			trans	-155	130.2	167.4	61.6	0	0	0	0	108.4	T810	T810-S812 PolarHBondContact O-N 2.72Å
813	F	30.7	Very low	31.9	Very low	190 Å²	190	128.5 Å²	128.5	83%	0.833	70%	0.697	S	S	*	*			trans	80.1	91.7	172.8	-57.7	-75.9	0	0	0	118.6
814	S	35.7	Very low	31.9	Very low	92 Å²	92	127.7 Å²	127.7	64%	0.643	69%	0.691	S	S	*	*				60.9	123.2	115.7	63.8	0	0	0	0	122.7
815	E	31	Very low	32.4	Very low	171 Å²	171	127.3 Å²	127.3	80%	0.799	70%	0.698	S	S	*	*			trans	62.4	141.6	140.8	-60.4	-176	121.3	0	0	121.2
816	I	32.6	Very low	32.6	Very low	170 Å²	170	126.6 Å²	126.6	87%	0.872	70%	0.701	S	S	*	*				-162.5	111.5	111.7	-55.3	-159	0	0	0	107.9
817	P	33.7	Very low	33	Very low	107 Å²	107	124.9 Å²	124.9	70%	0.695	70%	0.701	S	S	*	*			trans	-90.2	179.3	-174.6	36.2	-37.3	0	0	0	114.9
818	G	37.6	Very low	33.2	Very low	71 Å²	71	125.8 Å²	125.8	73%	0.732	70%	0.701	S	S	*	*			cis	-153	-137.9	3.5	0	0	0	0	0	110
819	F	36.3	Very low	33.8	Very low	179 Å²	179	123.4 Å²	123.4	79%	0.785	71%	0.705	S	S	*	*			cis	-178.4	175.1	-6.2	-122.6	-63.6	0	0	0	109
820	V	34.7	Very low	34.1	Very low	113 Å²	113	122 Å²	122	69%	0.685	70%	0.7	S	S	*	*			trans	77.1	147	158.8	129.7	0	0	0	0	117.4	E71	E71-V820 VanDerWaalsContact OE2-CA 3.3Å; E71-V820 WeakPolarHBondContact OE2-CA 3.43Å
821	I	35.4	Very low	34.8	Very low	95 Å²	95	123 Å²	123	49%	0.487	71%	0.708	S	S	.	*			cis	-162.5	175.9	-12.1	-162.3	163.2	0	0	0	110.4	Q69 P70	Q69-I821 HydrophobicContact CG-CD1 4.08Å; Q69-I821 HydrophobicContact CG-CG1 4.46Å; P70-I821 WeakPolarHBondContact O-CG1 3.4Å
822	E	36.3	Very low	35.4	Very low	55 Å²	55	119.2 Å²	119.2	26%	0.257	69%	0.694	S	S	.	*			trans	-142.8	-173.3	179.2	-160.4	-136.1	-138.3	0	0	114.2	Q69 P70 R72	Q69-E822 WeakPolarHBondContact CG-O 3.29Å; Q69-E822 PolarHBondContact NE2-O 3.02Å; P70-E822 CarbonylContact O-C 3.57Å; P70-E822 PolarHBondContact O-N 3.32Å; P70-E822 VanDerWaalsContact O-O 3.14Å; R72-E822 HydrophobicContact CB-CG 4.27Å; R72-E822 WeakPolarHBondContact CB-OE1 3.05Å; R72-E822 WeakPolarHBondContact CD-OE1 3.26Å; R72-E822 WeakPolarHBondContact CG-OE1 3.27Å; R72-E822 IonicContact CZ-OE1 3.54Å; R72-E822 IonicContact NE-OE1 3.85Å; R72-E822 IonicContact NH1-OE1 2.7Å; R72-E822 PolarHBondContact NH1-OE1 3.5Å; R72-E822 IonicContact NH1-OE2 2.77Å; R72-E822 PolarHBondContact NH1-OE2 2.71Å
823	D	33.4	Very low	35.6	Very low	93 Å²	93	120.6 Å²	120.6	50%	0.497	70%	0.7	S	S	.	*			trans	-158.4	174	152	-143.8	-32.9	0	0	0	112.7	P70	P70-D823 VanDerWaalsContact CD-OD1 3.28Å; P70-D823 WeakPolarHBondContact CD-OD1 3.1Å; P70-D823 WeakPolarHBondContact CD-OD2 3.26Å; P70-D823 HydrophobicContact CG-CB 4.42Å; P70-D823 WeakPolarHBondContact CG-OD1 3.38Å
824	S	34.6	Very low	35.8	Very low	83 Å²	83	116.2 Å²	116.2	58%	0.58	69%	0.691	S	S	*	*			trans	-115.8	179.1	-160.6	55.7	0	0	0	0	114.7
825	V	42.9	Very low	35.6	Very low	132 Å²	132	119.5 Å²	119.5	80%	0.8	69%	0.694	S	S	*	*				179.9	155.4	84.8	158.3	0	0	0	0	111.5
826	I	36	Very low	35.6	Very low	158 Å²	158	116.5 Å²	116.5	81%	0.81	69%	0.688	S	S	*	*			trans	-115.5	153.1	-175.8	59.3	161	0	0	0	116.3
827	A	39.5	Very low	35.5	Very low	97 Å²	97	113.8 Å²	113.8	80%	0.802	68%	0.679	S	S	*	*			trans	-165.6	173	162.8	0	0	0	0	0	111
828	V	31.9	Very low	35.4	Very low	126 Å²	126	119.2 Å²	119.2	76%	0.764	69%	0.688	S	S	*	*				165.2	133.6	-92.7	163.7	0	0	0	0	108.3
829	D	40.3	Very low	35.2	Very low	168 Å²	168	119.5 Å²	119.5	90%	0.898	68%	0.678	S	S	*	*			trans	-162.7	153.5	155.7	-122.6	-18.2	0	0	0	117.1
830	A	31.6	Very low	35.2	Very low	75 Å²	75	114.4 Å²	114.4	62%	0.62	68%	0.677	S	S	*	*			trans	-143.9	163.1	173.2	0	0	0	0	0	110.2
831	P	42.3	Very low	35.1	Very low	130 Å²	130	115.7 Å²	115.7	84%	0.844	68%	0.675	S	S	*	*			trans	-150	164.7	154	35.2	-17.5	0	0	0	117.1
832	D	38.4	Very low	34.7	Very low	129 Å²	129	114.6 Å²	114.6	69%	0.69	67%	0.67	S	S	*	*			cis	-170.3	138.1	-41.4	-136.1	21.2	0	0	0	111.9
833	V	33.6	Very low	34.3	Very low	99 Å²	99	118.4 Å²	118.4	60%	0.6	69%	0.692	S	S	*	*			trans	56.2	173.2	132.3	168.9	0	0	0	0	119.8	F835	V833-F835 HydrophobicContact CG1-CD1 3.94Å; V833-F835 HydrophobicContact CG1-CE1 3.81Å; V833-F835 HydrophobicContact CG1-CZ 4.44Å
834	C	33.7	Very low	34.1	Very low	97 Å²	97	117.8 Å²	117.8	66%	0.655	71%	0.707	S	S	*	*			trans	137.9	124.6	140.8	-66.6	0	0	0	0	113.1
835	F	31.5	Very low	33.8	Very low	161 Å²	161	122.1 Å²	122.1	71%	0.706	72%	0.718	S	S	*	*			cis	-168.5	162.1	-4.6	-114.4	-31.7	0	0	0	113.2	V833	V833-F835 HydrophobicContact CG1-CD1 3.94Å; V833-F835 HydrophobicContact CG1-CE1 3.81Å; V833-F835 HydrophobicContact CG1-CZ 4.44Å
836	T	32	Very low	33	Very low	109 Å²	109	124.4 Å²	124.4	67%	0.669	72%	0.717	S	S	*	*			trans	61.2	116.4	151.2	54.8	0	0	0	0	119.6
837	T	28.9	Very low	32.5	Very low	112 Å²	112	121.6 Å²	121.6	69%	0.687	71%	0.712	S	S	*	*				82.1	130	50.8	66.6	0	0	0	0	116.4
838	Y	33.4	Very low	31.9	Very low	222 Å²	222	123 Å²	123	87%	0.871	71%	0.706	S	S	*	*				-173.5	149.4	117.9	-107.5	-72.2	0	0	0	113.9
839	S	33	Very low	31.7	Very low	76 Å²	76	122 Å²	122	53%	0.531	70%	0.703	S	S	.	*			trans	-55.7	161.4	-174.3	54.9	0	0	0	0	119.2	G112	G112-S839 WeakPolarHBondContact O-CB 3.46Å
840	G	35.8	Very low	31.1	Very low	73 Å²	73	121.6 Å²	121.6	75%	0.753	70%	0.696	S	S	*	*			trans	-174.3	32.9	175	0	0	0	0	0	122.5
841	E	32.9	Very low	31.2	Very low	139 Å²	139	126.3 Å²	126.3	65%	0.65	71%	0.705	S	S	*	*			trans	58.1	125.4	155.7	-74.8	172.2	-153.7	0	0	123.3	V114	V114-E841 HydrophobicContact CB-CG 3.69Å; V114-E841 HydrophobicContact CG1-CG 3.59Å; V114-E841 HydrophobicContact CG2-CG 4.37Å
842	N	26.8	Very low	30.8	Very low	72 Å²	72	124.6 Å²	124.6	39%	0.385	70%	0.702	S	S	.	*			trans	74.2	119.3	142.6	-87.3	-64.1	0	0	0	123.6	E115	E115-N842 VanDerWaalsContact CB-OD1 3.3Å; E115-N842 WeakPolarHBondContact CB-OD1 3.38Å; E115-N842 PolarHBondContact OE2-ND2 2.83Å
843	L	27.1	Very low	30.5	Very low	136 Å²	136	121.3 Å²	121.3	71%	0.712	70%	0.699	S	S	*	*			trans	45.1	93.2	144.2	-75.2	167.9	0	0	0	118.9	A116	A116-L843 HydrophobicContact CB-CD1 4.42Å
844	G	30.6	Very low	30.3	Very low	79 Å²	79	124.7 Å²	124.7	81%	0.814	71%	0.713	S	S	*	*			trans	176.7	147	164.3	0	0	0	0	0	113.9
845	E	26.7	Very low	30.3	Very low	175 Å²	175	124 Å²	124	82%	0.818	71%	0.709	S	S	*	*			trans	-32.5	152.3	165.2	-72.2	176.2	127.6	0	0	117.4
846	F	26.5	Very low	30.7	Very low	179 Å²	179	121.2 Å²	121.2	79%	0.785	71%	0.709	S	S	*	*			trans	56.4	106.3	143.5	-81.9	-111.6	0	0	0	119.2
847	S	25.9	Very low	30.8	Very low	99 Å²	99	121.5 Å²	121.5	69%	0.692	71%	0.711	S	S	*	*				71.6	-167.3	120.1	-52.9	0	0	0	0	118.1
848	D	28.1	Very low	31.1	Very low	128 Å²	128	123.6 Å²	123.6	68%	0.684	71%	0.712	S	S	*	*			trans	63	101.9	173	-71.7	10.2	0	0	0	117.3
849	C	26	Very low	31.2	Very low	104 Å²	104	120.2 Å²	120.2	70%	0.703	71%	0.709	S	S	*	*				63.7	127.8	64.3	-59.6	0	0	0	0	113.5
850	Q	29.3	Very low	31.4	Very low	160 Å²	160	123.5 Å²	123.5	75%	0.748	73%	0.726	S	S	*	*				-175.3	145.2	117.9	-95.5	154.2	67.2	0	0	106.9
851	Q	32.8	Very low	31.1	Very low	174 Å²	174	125.2 Å²	125.2	81%	0.813	73%	0.726	S	S	*	*	S	Bend	cis	-161.5	148.4	25.6	-154.7	167.7	49.5	0	0	108.6
852	A	33.2	Very low	31	Very low	93 Å²	93	124.2 Å²	124.2	77%	0.769	73%	0.73	S	S	*	*			cis	-169.9	159.5	-25.4	0	0	0	0	0	105.9
853	G	33.6	Very low	31.3	Very low	61 Å²	61	128.4 Å²	128.4	63%	0.629	75%	0.747	S	S	*	*			cis	-156.7	171.7	-1.2	0	0	0	0	0	109.5
854	L	29.1	Very low	31.7	Very low	170 Å²	170	124.6 Å²	124.6	89%	0.89	73%	0.732	S	S	*	*				62.1	127.4	96.7	-57.4	177.6	0	0	0	114.5
855	S	33.1	Very low	31.7	Very low	83 Å²	83	124.5 Å²	124.5	58%	0.58	72%	0.715	S	S	*	*			cis	-170.9	165.1	-0.3	50	0	0	0	0	112.2
856	S	39.3	Very low	31.8	Very low	101 Å²	101	119.9 Å²	119.9	71%	0.706	70%	0.7	S	S	*	*			trans	62.5	147.3	143.5	56.8	0	0	0	0	121.3
857	V	35.5	Very low	31.7	Very low	116 Å²	116	116.1 Å²	116.1	70%	0.703	68%	0.684	S	S	*	*			cis	-166.7	150.2	-15.2	120.7	0	0	0	0	108.1
858	H	34.7	Very low	31.7	Very low	156 Å²	156	120.1 Å²	120.1	72%	0.722	69%	0.689	S	S	*	*			trans	20.7	148.5	156.4	-51.1	-42	0	0	0	122.5
859	D	35.7	Very low	32.2	Very low	151 Å²	151	119.4 Å²	119.4	81%	0.807	68%	0.684	S	S	*	*			cis	-139.2	168.5	8.2	-91.3	-47.3	0	0	0	111.2
860	V	35.8	Very low	32.6	Very low	144 Å²	144	120 Å²	120	87%	0.873	69%	0.687	S	S	*	*			trans	-133.3	128	-166	178.7	0	0	0	0	115.7
861	S	30	Very low	32.5	Very low	110 Å²	110	119 Å²	119	77%	0.769	68%	0.682	S	S	*	*			trans	-157.8	148.8	142.4	72.8	0	0	0	0	107.6
862	T	30.9	Very low	32.6	Very low	118 Å²	118	116.4 Å²	116.4	72%	0.724	68%	0.68	S	S	*	*			cis	-141	144.2	4.5	50.9	0	0	0	0	110.5
863	E	33.1	Very low	32.3	Very low	160 Å²	160	115.4 Å²	115.4	75%	0.748	67%	0.668	S	S	*	*				-177.8	127.9	124.7	-103.6	179.3	171.2	0	0	113.3	L1940	E863-L1940 HydrophobicContact CB-CD2 4.3Å; E863-L1940 WeakPolarHBondContact O-CD2 3.45Å
864	S	36.6	Very low	32.4	Very low	56 Å²	56	118.6 Å²	118.6	39%	0.392	67%	0.674	S	S	.	*			trans	33.9	93	155.5	45.7	0	0	0	0	122.7	P1939 L1940	S864-P1939 WeakPolarHBondContact O-CB 3.03Å; S864-P1939 WeakPolarHBondContact O-CG 3.38Å; S864-L1940 VanDerWaalsContact OG-CD1 3.27Å; S864-L1940 WeakPolarHBondContact OG-CD1 3.1Å
865	V	29	Very low	32.8	Very low	77 Å²	77	116.3 Å²	116.3	47%	0.467	66%	0.662	S	S	.	*			trans	62.7	-175.9	139.8	-112.7	0	0	0	0	116.3	E1937 S1938 P1939	V865-E1937 HydrophobicContact CG1-CG 4.09Å; V865-E1937 WeakPolarHBondContact CG1-OE2 3.1Å; V865-S1938 VanDerWaalsContact CG2-OG 3.24Å; V865-S1938 WeakPolarHBondContact CG2-OG 3.33Å; V865-P1939 HydrophobicContact CB-CB 4.14Å; V865-P1939 HydrophobicContact CB-CG 4.08Å; V865-P1939 HydrophobicContact CG2-CB 4.08Å; V865-P1939 WeakPolarHBondContact O-CG 3.36Å
866	P	29.2	Very low	32.6	Very low	77 Å²	77	116.2 Å²	116.2	50%	0.5	67%	0.667	S	S	.	*			cis	-86.9	-174	-1.4	34.6	-31.5	0	0	0	113.1	P1939	P866-P1939 HydrophobicContact CB-CG 4.28Å; P866-P1939 HydrophobicContact CG-CG 4.34Å
867	F	25.3	Very low	32.2	Very low	100 Å²	100	117.7 Å²	117.7	44%	0.439	67%	0.672	S	S	.	*			trans	-25.9	143.1	145.6	-64.4	-66.3	0	0	0	113.8	P1936 E1937	F867-P1936 HydrophobicContact CE2-CB 3.51Å; F867-P1936 HydrophobicContact CE2-CG 3.41Å; F867-P1936 VanDerWaalsContact CE2-CG 3.41Å; F867-P1936 HydrophobicContact CZ-CB 3.48Å; F867-P1936 VanDerWaalsContact CZ-CB 3.48Å; F867-P1936 HydrophobicContact CZ-CG 3.39Å; F867-E1937 HydrophobicContact CD2-CB 4.07Å; F867-E1937 HydrophobicContact CD2-CG 4.37Å; F867-E1937 WeakPolarHBondContact CD2-OE2 3.04Å; F867-E1937 HydrophobicContact CE2-CB 3.7Å; F867-E1937 HydrophobicContact CE2-CG 3.79Å; F867-E1937 WeakPolarHBondContact CE2-OE2 3.29Å; F867-E1937 WeakPolarHBondContact CG-OE2 3.12Å; F867-E1937 VanDerWaalsContact CZ-CD 3.43Å; F867-E1937 HydrophobicContact CZ-CG 4.11Å; F867-E1937 VanDerWaalsContact CZ-OE1 3.29Å; F867-E1937 WeakPolarHBondContact CZ-OE1 3.44Å; F867-E1937 PolarHBondContact N-OE2 2.85Å
868	F	26	Very low	31.8	Very low	184 Å²	184	117.1 Å²	117.1	81%	0.807	67%	0.672	S	S	*	*			cis	-134	162.1	34.4	-139.8	-92.8	0	0	0	113	P870	F868-P870 VanDerWaalsContact O-CD 3.29Å; F868-P870 WeakPolarHBondContact O-CD 3.26Å
869	I	37.6	Very low	31.5	Very low	113 Å²	113	112.9 Å²	112.9	58%	0.579	67%	0.671	S	S	*	*			trans	-66.1	129	169.4	-69.8	167.1	0	0	0	109.6	E871	I869-E871 HydrophobicContact CG2-CB 3.65Å; I869-E871 HydrophobicContact CG2-CG 3.58Å
870	P	34.6	Very low	31.1	Very low	116 Å²	116	116.3 Å²	116.3	75%	0.753	68%	0.675	S	S	*	*				-122.2	131.4	121.3	1.2	19.5	0	0	0	109.1	F868	F868-P870 VanDerWaalsContact O-CD 3.29Å; F868-P870 WeakPolarHBondContact O-CD 3.26Å
871	E	27.5	Very low	30.7	Very low	138 Å²	138	116.7 Å²	116.7	65%	0.645	67%	0.667	S	S	*	*			cis	40.5	114.1	33.8	-73.8	-159.1	-133	0	0	113.4	I869 S873	I869-E871 HydrophobicContact CG2-CB 3.65Å; I869-E871 HydrophobicContact CG2-CG 3.58Å; E871-S873 VanDerWaalsContact CD-OG 3.22Å; E871-S873 VanDerWaalsContact CG-OG 3.28Å; E871-S873 WeakPolarHBondContact CG-OG 3.3Å; E871-S873 PolarHBondContact OE2-OG 3.42Å
872	P	35.2	Very low	30.5	Very low	121 Å²	121	121.5 Å²	121.5	79%	0.786	67%	0.67	S	S	*	*				-110.2	151	52.3	-3.8	25.6	0	0	0	113.3
873	S	27	Very low	30.4	Very low	72 Å²	72	124.5 Å²	124.5	50%	0.503	67%	0.672	S	S	.	*			cis	75.8	76.7	33	-49	0	0	0	0	113.5	E871	E871-S873 VanDerWaalsContact CD-OG 3.22Å; E871-S873 VanDerWaalsContact CG-OG 3.28Å; E871-S873 WeakPolarHBondContact CG-OG 3.3Å; E871-S873 PolarHBondContact OE2-OG 3.42Å
874	V	35.5	Very low	29.9	Very low	127 Å²	127	121.8 Å²	121.8	77%	0.77	67%	0.671	S	S	*	*			trans	-143.5	112.5	158.4	177.8	0	0	0	0	106.5
875	L	37.1	Very low	29.6	Very low	122 Å²	122	126.5 Å²	126.5	64%	0.639	69%	0.691	S	S	*	*			cis	-132.6	158.1	-15.5	-82.5	159.7	0	0	0	105.2	A135	A135-L875 HydrophobicContact CB-CD1 4.05Å
876	A	29.6	Very low	29.8	Very low	82 Å²	82	129 Å²	129	68%	0.678	70%	0.702	S	S	*	*				51.1	145.4	63.5	0	0	0	0	0	113.4
877	V	31.2	Very low	30	Very low	132 Å²	132	133.6 Å²	133.6	80%	0.8	72%	0.717	S	S	*	*			cis	-147.9	177.2	1.3	86	0	0	0	0	110.5
878	S	26.6	Very low	30.1	Very low	103 Å²	103	136.8 Å²	136.8	72%	0.72	74%	0.737	S	S	*	*			trans	-52.8	142.6	179.4	54.1	0	0	0	0	116.2
879	G	27.1	Very low	30.2	Very low	68 Å²	68	131.2 Å²	131.2	70%	0.701	73%	0.732	S	S	*	*			trans	80.1	129.9	133.8	0	0	0	0	0	118.6
880	Y	27.8	Very low	29.7	Very low	223 Å²	223	131.6 Å²	131.6	88%	0.875	75%	0.745	S	S	*	*				-159.7	171.3	82.3	-116.6	-86	0	0	0	111.1
881	E	26.9	Very low	29.2	Very low	152 Å²	152	130.5 Å²	130.5	71%	0.71	74%	0.74	S	S	*	*			trans	-62.4	146.8	176.6	-55.4	155.2	101.5	0	0	112.4
882	Y	26.5	Very low	29.1	Very low	211 Å²	211	130.9 Å²	130.9	83%	0.827	75%	0.746	S	S	*	*				-178.8	133.9	115.9	-109.7	-71	0	0	0	111.5
883	K	29.9	Very low	28.9	Very low	180 Å²	180	136.6 Å²	136.6	78%	0.783	75%	0.752	S	S	*	*			trans	69.3	127.8	170.2	-55.6	167.2	-172.3	173.4	0	113.7
884	S	22.4	Very low	29.1	Very low	103 Å²	103	139 Å²	139	72%	0.72	76%	0.759	S	S	*	*			cis	69.1	81	45.5	88.1	0	0	0	0	113.9
885	L	30.6	Very low	29	Very low	155 Å²	155	137.4 Å²	137.4	81%	0.812	75%	0.751	S	S	*	*				-142.8	164.4	117.9	-127.7	77.4	0	0	0	108.1
886	D	32.4	Very low	28.4	Very low	131 Å²	131	136.2 Å²	136.2	70%	0.701	75%	0.753	S	S	*	*			trans	54.2	92	170	-49.1	-13.8	0	0	0	115.4
887	E	32.2	Very low	28.6	Very low	172 Å²	172	140 Å²	140	80%	0.804	76%	0.76	S	S	*	*				64.3	111.3	64	-53.9	-143.5	136.4	0	0	112.3
888	L	29.4	Very low	28.7	Very low	167 Å²	167	139.1 Å²	139.1	87%	0.874	76%	0.755	S	S	*	*				50.6	103.3	100.3	-79.1	168.3	0	0	0	114.4
889	G	27.7	Very low	29.1	Very low	67 Å²	67	141.9 Å²	141.9	69%	0.691	76%	0.756	S	S	*	*			trans	96.5	109.6	135.1	0	0	0	0	0	118.4
890	S	25.6	Very low	29	Very low	121 Å²	121	145.3 Å²	145.3	85%	0.846	76%	0.758	S	S	*	*			trans	77.7	162.9	140.9	84.1	0	0	0	0	119.7
891	S	25.4	Very low	29.1	Very low	94 Å²	94	140.7 Å²	140.7	66%	0.657	75%	0.754	S	S	*	*			trans	67.2	108	161.6	-150.6	0	0	0	0	118.4
892	N	24.7	Very low	29.4	Very low	145 Å²	145	137 Å²	137	78%	0.775	75%	0.749	S	S	*	*			trans	42.9	89.4	132.1	-56.9	-27.5	0	0	0	118.4
893	R	30.8	Very low	29.7	Very low	241 Å²	241	134 Å²	134	91%	0.909	75%	0.747	S	S	*	*				-171.4	112.3	120.9	-101.3	157.7	-173.7	-153.3	1.7	113.9
894	L	30.9	Very low	29.9	Very low	123 Å²	123	131 Å²	131	64%	0.644	74%	0.744	S	S	*	*				-59	152.2	125.8	-82.1	170.6	0	0	0	107.8	L192	L192-L894 HydrophobicContact CD1-CD1 4.37Å
895	P	34.5	Very low	30.6	Very low	93 Å²	93	132.9 Å²	132.9	60%	0.604	75%	0.751	S	S	*	*				-156.9	-175.4	50.9	44.7	-24.3	0	0	0	118.8
896	S	24	Very low	31.1	Very low	98 Å²	98	128 Å²	128	69%	0.685	74%	0.738	S	S	*	*			trans	80.1	159.8	147.4	-59.7	0	0	0	0	119
897	I	34	Very low	31.3	Very low	162 Å²	162	130.2 Å²	130.2	83%	0.831	75%	0.749	S	S	*	*			trans	77	114.9	172.6	-54.3	173.8	0	0	0	112.5
898	V	34.4	Very low	31.6	Very low	112 Å²	112	127.9 Å²	127.9	68%	0.679	74%	0.742	S	S	*	*			cis	-153.2	154.9	-0.3	94.6	0	0	0	0	113.9
899	Q	34	Very low	31.9	Very low	162 Å²	162	125.4 Å²	125.4	76%	0.757	73%	0.73	S	S	*	*			trans	10.5	120.2	153.3	-69.7	160	-30.8	0	0	121.3
900	D	25.9	Very low	32.2	Very low	139 Å²	139	128.8 Å²	128.8	74%	0.743	73%	0.73	S	S	*	*				61.4	138.6	95.5	-139.1	-7.1	0	0	0	120.6
901	T	29	Very low	33	Very low	126 Å²	126	132.2 Å²	132.2	77%	0.773	73%	0.733	S	S	*	*			trans	69.2	161.6	170.9	78.4	0	0	0	0	116.4
902	A	32.5	Very low	33.4	Very low	74 Å²	74	136.2 Å²	136.2	61%	0.612	74%	0.741	S	S	*	*			cis	-156.6	146.7	15.2	0	0	0	0	0	115.9
903	N	32.8	Very low	33.9	Very low	148 Å²	148	135.3 Å²	135.3	79%	0.791	74%	0.74	S	S	*	*				67.1	128.1	123.7	-72.6	-10.9	0	0	0	125.2
904	V	35.4	Very low	34	Very low	119 Å²	119	128.4 Å²	128.4	72%	0.721	73%	0.729	S	S	*	*				79.2	140	120.9	176	0	0	0	0	116.1
905	V	37.2	Very low	34.2	Very low	142 Å²	142	131 Å²	131	86%	0.861	74%	0.738	S	S	*	*				-150.5	154.6	61.4	-153.1	0	0	0	0	112.3
906	G	41.2	Very low	34	Very low	52 Å²	52	136.2 Å²	136.2	54%	0.536	75%	0.754	S	S	.	*			cis	141	116.6	-14.3	0	0	0	0	0	115.5
907	L	36.2	Very low	34.5	Very low	177 Å²	177	134.9 Å²	134.9	93%	0.927	76%	0.756	S	S	*	*			trans	67.2	140.2	158	-44.9	173.5	0	0	0	117.9
908	D	37.3	Very low	34.5	Very low	124 Å²	124	133.6 Å²	133.6	66%	0.663	76%	0.755	S	S	*	*			cis	-159.1	-148.6	-12.8	-167.7	68.2	0	0	0	110.3
909	D	35.8	Very low	34.5	Very low	115 Å²	115	137.1 Å²	137.1	62%	0.615	77%	0.767	S	S	*	*			trans	-123.6	-96.7	174.8	-161.6	75.2	0	0	0	115.7	K2030	D909-K2030 IonicContact OD1-NZ 3.9Å; D909-K2030 PolarHBondContact OD1-NZ 2.81Å
910	I	33.8	Very low	34.6	Very low	138 Å²	138	132.8 Å²	132.8	71%	0.708	77%	0.766	S	S	*	*			cis	-159.1	152.6	-13.1	-165.4	167.9	0	0	0	110.1
911	Q	43.1	Very low	35.2	Very low	193 Å²	193	134.7 Å²	134.7	90%	0.902	77%	0.767	S	S	*	*			trans	-154	147	177	-164.7	167.7	38.6	0	0	114.9
912	E	33.8	Very low	35.5	Very low	178 Å²	178	134.5 Å²	134.5	83%	0.832	76%	0.761	S	S	*	*			trans	-81.4	169.1	-173.8	-61.7	-178.8	101.5	0	0	117.3
913	V	34.9	Very low	35.6	Very low	125 Å²	125	136.5 Å²	136.5	76%	0.758	77%	0.771	S	S	*	*				160.6	118.6	113.3	161.8	0	0	0	0	115.4
914	S	33.7	Very low	35.3	Very low	96 Å²	96	136.9 Å²	136.9	67%	0.671	77%	0.773	S	S	*	*			trans	53	162.1	143.3	-69.3	0	0	0	0	123.5
915	E	33.7	Very low	35.2	Very low	177 Å²	177	137.5 Å²	137.5	83%	0.827	77%	0.77	S	S	*	*			cis	-159.9	131.7	-1.6	-127.1	159.8	-116.6	0	0	114.4
916	E	30.9	Very low	34.9	Very low	203 Å²	203	136 Å²	136	95%	0.949	76%	0.761	S	S	*	*			trans	163.3	122.5	142.5	-97.9	-167.1	156.2	0	0	106.3
917	G	34.7	Very low	34.5	Very low	70 Å²	70	139.8 Å²	139.8	72%	0.722	77%	0.77	S	S	*	*			cis	125.4	132.3	13	0	0	0	0	0	109.5
918	V	33.8	Very low	34.4	Very low	135 Å²	135	139 Å²	139	82%	0.818	77%	0.766	S	S	*	*			cis	-161.4	141	14	149.7	0	0	0	0	110.2
919	M	34.4	Very low	34	Very low	187 Å²	187	143.1 Å²	143.1	92%	0.921	77%	0.772	S	S	*	*			trans	66.2	118.8	172.6	-60	-142.5	-57.5	0	0	118.8
920	G	36.8	Very low	33.8	Very low	71 Å²	71	144.4 Å²	144.4	73%	0.732	78%	0.778	S	S	*	*			cis	137.7	-169.6	-13.5	0	0	0	0	0	115.4
921	K	37.4	Very low	33.6	Very low	178 Å²	178	146.3 Å²	146.3	77%	0.774	78%	0.781	S	S	*	*			trans	88.3	107.5	-176.2	-58.4	-171.3	138.3	-70	0	114.3
922	D	35.3	Very low	33	Very low	122 Å²	122	141.7 Å²	141.7	65%	0.652	77%	0.77	S	S	*	*				86	112.9	83.2	-60.7	-14.9	0	0	0	109.6
923	S	34.3	Very low	32.7	Very low	117 Å²	117	137.1 Å²	137.1	82%	0.818	75%	0.749	S	S	*	*			cis	-153.5	166	1.3	-48.5	0	0	0	0	111.5
924	L	27	Very low	32.4	Very low	156 Å²	156	134.3 Å²	134.3	82%	0.817	73%	0.732	S	S	*	*			trans	-87.3	175	164.7	-113.5	169.2	0	0	0	111
925	I	32.8	Very low	32.3	Very low	131 Å²	131	135.3 Å²	135.3	67%	0.672	74%	0.739	S	S	*	*			trans	74.7	110	152.2	-73.5	159.4	0	0	0	117.9
926	T	31.4	Very low	32.4	Very low	110 Å²	110	130.4 Å²	130.4	68%	0.675	74%	0.736	S	S	*	*			trans	49.5	168.5	131.9	83.4	0	0	0	0	120.2
927	D	33.7	Very low	32.5	Very low	133 Å²	133	125.3 Å²	125.3	71%	0.711	72%	0.723	S	S	*	*			cis	-145.3	168	13.1	-108.1	-50.1	0	0	0	112.5
928	D	34.3	Very low	33.1	Very low	159 Å²	159	129.4 Å²	129.4	85%	0.85	72%	0.723	S	S	*	*			trans	74.2	155.3	149.5	-106.8	-37.5	0	0	0	123.5
929	R	28.5	Very low	33.1	Very low	211 Å²	211	127.7 Å²	127.7	80%	0.796	71%	0.709	S	S	*	*			trans	-101.6	163.9	-168.8	-132.8	175.7	-176.7	175	1	112
930	I	31	Very low	33.2	Very low	142 Å²	142	123.5 Å²	123.5	73%	0.728	69%	0.689	S	S	*	*			trans	82.4	99.5	155.9	-65.7	165.9	0	0	0	118.6
931	F	30.2	Very low	33.1	Very low	178 Å²	178	121.7 Å²	121.7	78%	0.781	66%	0.662	S	S	*	*			trans	76.5	94.6	142.4	-79	-110.7	0	0	0	122.4
932	S	29.8	Very low	32.8	Very low	96 Å²	96	116.8 Å²	116.8	67%	0.671	64%	0.642	S	S	*	*				54.2	104.2	110.1	-51	0	0	0	0	120.3
933	Q	27.2	Very low	32.7	Very low	83 Å²	83	117.5 Å²	117.5	39%	0.388	64%	0.64	S	S	.	*				169.7	143.4	98.8	-98	-178.4	6	0	0	116.7	D941 H942	Q933-D941 VanDerWaalsContact CD-OD2 3.26Å; Q933-D941 PolarHBondContact NE2-OD1 2.69Å; Q933-D941 PolarHBondContact NE2-OD2 3.15Å; Q933-D941 PolarHBondContact OE1-OD2 3.25Å; Q933-H942 PolarHBondContact NE2-CE1 2.94Å; Q933-H942 PolarHBondContact NE2-NE2 2.7Å
934	T	29.4	Very low	32.4	Very low	65 Å²	65	116.7 Å²	116.7	40%	0.399	63%	0.63	S	S	.	*			trans	59	103.3	147	65.3	0	0	0	0	120.6	K1982	T934-K1982 HydrophobicContact CG2-CB 4.11Å
935	S	31.9	Very low	32.4	Very low	118 Å²	118	117.7 Å²	117.7	83%	0.825	63%	0.628	S	S	*	*				168	146.6	99.5	52.9	0	0	0	0	111.5
936	G	36	Very low	32.1	Very low	74 Å²	74	117.4 Å²	117.4	76%	0.763	62%	0.624	S	S	*	*	S	Bend	cis	-175.7	172.1	-4.4	0	0	0	0	0	108.9
937	S	33.2	Very low	32	Very low	96 Å²	96	120.8 Å²	120.8	67%	0.671	62%	0.624	S	S	*	*	S	Bend	cis	-164.2	157.6	18	55.9	0	0	0	0	110.2
938	H	46.3	Very low	31.6	Very low	155 Å²	155	120.2 Å²	120.2	72%	0.718	62%	0.621	S	S	*	*	S	Bend	cis	-130.1	129	18.4	-77.3	-92.5	0	0	0	111.7
939	L	34.3	Very low	31.2	Very low	100 Å²	100	118.9 Å²	118.9	52%	0.524	62%	0.619	S	S	.	*				57	126.9	129.5	-51.9	179.5	0	0	0	115	K1982	L939-K1982 HydrophobicContact CD2-CB 3.99Å; L939-K1982 HydrophobicContact CD2-CD 3.43Å; L939-K1982 VanDerWaalsContact CD2-CD 3.43Å; L939-K1982 HydrophobicContact CD2-CG 3.67Å
940	I	35.5	Very low	31.4	Very low	98 Å²	98	117.3 Å²	117.3	50%	0.503	62%	0.621	S	S	.	*			cis	179.5	161.5	35.9	-127	169.7	0	0	0	106.7	K1982 M1983 D1984	I940-K1982 HydrophobicContact CD1-CB 4.23Å; I940-K1982 HydrophobicContact CD1-CG 4.34Å; I940-K1982 HydrophobicContact CG1-CB 3.78Å; I940-K1982 HydrophobicContact CG1-CG 4.41Å; I940-K1982 WeakPolarHBondContact CG1-O 3.19Å; I940-M1983 WeakPolarHBondContact CD1-O 3.34Å; I940-M1983 WeakPolarHBondContact CG1-O 3.26Å; I940-D1984 CarbonylContact C-O 3.18Å; I940-D1984 WeakPolarHBondContact CA-O 3.11Å; I940-D1984 WeakPolarHBondContact CB-O 3.31Å; I940-D1984 WeakPolarHBondContact CG2-O 3.32Å
941	D	35	Very low	31.3	Very low	33 Å²	33	120.5 Å²	120.5	18%	0.176	63%	0.625	C	S	.	*			trans	-87.5	-177.2	-154.7	-50.9	-46.2	0	0	0	124.2	Q933 K1982 M1983 D1984 N1985 V1986	Q933-D941 VanDerWaalsContact CD-OD2 3.26Å; Q933-D941 PolarHBondContact NE2-OD1 2.69Å; Q933-D941 PolarHBondContact NE2-OD2 3.15Å; Q933-D941 PolarHBondContact OE1-OD2 3.25Å; D941-K1982 PolarHBondContact N-O 2.67Å; D941-M1983 PolarHBondContact OD2-N 2.92Å; D941-D1984 PolarHBondContact N-O 2.8Å; D941-D1984 CarbonylContact O-C 3.39Å; D941-N1985 CarbonylContact O-C 3.2Å; D941-N1985 WeakPolarHBondContact O-CA 3.32Å; D941-N1985 PolarHBondContact O-N 2.91Å; D941-V1986 PolarHBondContact O-N 2.89Å
942	H	32	Very low	31.3	Very low	76 Å²	76	115.7 Å²	115.7	35%	0.352	61%	0.614	S	S	.	*			trans	79.2	161.4	137.5	-73.4	-35.9	0	0	0	120.3	Q933 V1986	Q933-H942 PolarHBondContact NE2-CE1 2.94Å; Q933-H942 PolarHBondContact NE2-NE2 2.7Å; H942-V1986 WeakPolarHBondContact O-CA 3.19Å; H942-V1986 VanDerWaalsContact O-CG2 3.25Å; H942-V1986 WeakPolarHBondContact O-CG2 3.15Å; H942-V1986 PolarHBondContact O-N 3.24Å
943	F	32.5	Very low	31.5	Very low	136 Å²	136	118.4 Å²	118.4	60%	0.596	62%	0.619	S	S	*	*			cis	-153.3	174.2	-12.3	-124.5	-43.3	0	0	0	111.7	L1987	F943-L1987 WeakPolarHBondContact O-CD1 3.41Å
944	T	28.9	Very low	31.9	Very low	100 Å²	100	119.1 Å²	119.1	61%	0.613	63%	0.633	S	S	*	*			trans	-74.7	155.3	173.3	50.6	0	0	0	0	114.6
945	F	27.1	Very low	32	Very low	177 Å²	177	123.3 Å²	123.3	78%	0.776	65%	0.653	S	S	*	*				173.1	150.1	112.5	-117.4	-72.8	0	0	0	114.4
946	Q	26.4	Very low	31.9	Very low	125 Å²	125	128.2 Å²	128.2	58%	0.584	66%	0.655	S	S	*	*			trans	66.3	142.5	144.2	-104	167.2	65.7	0	0	122.1
947	R	28.1	Very low	31.8	Very low	182 Å²	182	129.9 Å²	129.9	69%	0.687	66%	0.655	S	S	*	*			trans	68.3	145.9	134.5	-85.1	177.6	168.1	110.9	9.2	122.1
948	D	25.7	Very low	31.8	Very low	120 Å²	120	131.7 Å²	131.7	64%	0.642	66%	0.657	S	S	*	*			trans	45.2	117.4	130.3	-43.1	-15.3	0	0	0	118.1	E950	D948-E950 PolarHBondContact O-N 2.83Å
949	T	26.4	Very low	31	Very low	131 Å²	131	128.6 Å²	128.6	80%	0.804	65%	0.653	S	S	*	*			trans	0.1	111.1	131.6	52.1	0	0	0	0	116.1
950	E	31.7	Very low	30.7	Very low	178 Å²	178	131.2 Å²	131.2	83%	0.832	67%	0.666	S	S	*	*				-169.3	117.7	119	-106.6	174.6	-167.8	0	0	114.1	D948	D948-E950 PolarHBondContact O-N 2.83Å
951	Y	29.2	Very low	30.4	Very low	210 Å²	210	133.2 Å²	133.2	82%	0.824	68%	0.677	S	S	*	*				50.7	97.9	128.7	-85.7	-98.6	0	0	0	121.5
952	S	29.9	Very low	30.1	Very low	77 Å²	77	135.8 Å²	135.8	54%	0.538	70%	0.697	S	S	.	*				79.8	173.5	106.9	79.4	0	0	0	0	121.5
953	I	35.7	Very low	30	Very low	153 Å²	153	139.8 Å²	139.8	79%	0.785	72%	0.721	S	S	*	*			trans	73.4	109.7	161.7	-68.9	163.3	0	0	0	114.1
954	S	34.4	Very low	30	Very low	97 Å²	97	138.2 Å²	138.2	68%	0.678	73%	0.727	S	S	*	*			cis	-159.2	178.8	7.8	-91.7	0	0	0	0	111.7
955	D	31.1	Very low	29.8	Very low	154 Å²	154	143.1 Å²	143.1	82%	0.824	74%	0.74	S	S	*	*	S	Bend	trans	79	79.2	178.1	-56.3	-5.3	0	0	0	113.7
956	Y	30.9	Very low	30	Very low	220 Å²	220	138.9 Å²	138.9	86%	0.863	74%	0.738	S	S	*	*	S	Bend	cis	-135.8	150.2	15.5	-114.5	-111.9	0	0	0	110.3	N958	Y956-N958 PolarHBondContact O-N 2.77Å
957	S	34.3	Very low	30	Very low	110 Å²	110	141.5 Å²	141.5	77%	0.769	75%	0.75	S	S	*	*			trans	-52	121.3	175.9	-50.1	0	0	0	0	111.3
958	N	32.3	Very low	29.9	Very low	134 Å²	134	138.9 Å²	138.9	72%	0.717	75%	0.747	S	S	*	*				49.7	111.3	87.4	-63.9	17.6	0	0	0	112.4	Y956	Y956-N958 PolarHBondContact O-N 2.77Å
959	S	29.2	Very low	30.1	Very low	89 Å²	89	138.5 Å²	138.5	62%	0.622	74%	0.744	S	S	*	*			cis	88.9	147.9	31.8	82.5	0	0	0	0	115.1
960	L	27.6	Very low	30.2	Very low	155 Å²	155	138.8 Å²	138.8	81%	0.812	74%	0.74	S	S	*	*			trans	77.8	144.3	176	-48.9	174.9	0	0	0	113.6
961	I	29.2	Very low	30.1	Very low	140 Å²	140	139 Å²	139	72%	0.718	74%	0.737	S	S	*	*			cis	-152.5	179.3	1.7	-132.9	162.7	0	0	0	112.4
962	S	30.1	Very low	30	Very low	87 Å²	87	136.4 Å²	136.4	61%	0.608	73%	0.733	S	S	*	*			trans	66.7	136.6	162.3	50	0	0	0	0	121.6
963	D	29.2	Very low	30.5	Very low	160 Å²	160	137 Å²	137	86%	0.856	74%	0.735	S	S	*	*			trans	-78.6	150.5	174.4	-47.3	-84.4	0	0	0	113.1
964	S	31.8	Very low	30.3	Very low	103 Å²	103	136.3 Å²	136.3	72%	0.72	73%	0.733	S	S	*	*			trans	-169.8	106	140.1	176.6	0	0	0	0	113.3
965	F	26.3	Very low	30.3	Very low	203 Å²	203	138.4 Å²	138.4	89%	0.89	74%	0.737	S	S	*	*			trans	61.5	163.5	147.7	-83	-92.8	0	0	0	122.8
966	A	29.7	Very low	30.3	Very low	88 Å²	88	137.4 Å²	137.4	73%	0.727	73%	0.731	S	S	*	*			trans	66.2	91.1	162.8	0	0	0	0	0	119.1
967	E	26.3	Very low	30.4	Very low	180 Å²	180	132 Å²	132	84%	0.841	72%	0.722	S	S	*	*				50.5	116.1	117.5	-113.6	179.2	171.1	0	0	120.8
968	M	27.7	Very low	30.2	Very low	127 Å²	127	134.9 Å²	134.9	63%	0.626	72%	0.723	S	S	*	*				138.7	125.4	100.1	-167.3	163.6	55.1	0	0	115.7
969	I	28.8	Very low	30.2	Very low	112 Å²	112	135 Å²	135	57%	0.574	72%	0.722	S	S	*	*			trans	63.7	104.7	155.7	-70.3	169.4	0	0	0	118.8
970	I	29	Very low	30.2	Very low	138 Å²	138	137.1 Å²	137.1	71%	0.708	73%	0.726	S	S	*	*				31.9	119.9	121.5	-48.6	160.6	0	0	0	116.9
971	K	29.7	Very low	30.4	Very low	181 Å²	181	139.9 Å²	139.9	79%	0.787	73%	0.727	S	S	*	*			trans	-96	99.8	158.4	-96.8	175.2	176.8	159.4	0	112.7
972	E	28	Very low	30.5	Very low	156 Å²	156	137.8 Å²	137.8	73%	0.729	73%	0.725	S	S	*	*			trans	-64	135.4	131.4	-76.7	-152.1	126.2	0	0	108.3
973	P	39.7	Very low	30.4	Very low	91 Å²	91	137.9 Å²	137.9	59%	0.591	73%	0.725	S	S	*	*			trans	-99.1	161.2	-176.7	36.2	-33.9	0	0	0	113.8
974	N	32.2	Very low	30.6	Very low	137 Å²	137	138.2 Å²	138.2	73%	0.733	72%	0.719	S	S	*	*			trans	78.7	139.1	171.4	-36.5	-61.7	0	0	0	113.9
975	D	33.3	Very low	30.6	Very low	142 Å²	142	138.7 Å²	138.7	76%	0.759	71%	0.713	S	S	*	*			cis	-147.4	169.3	9.7	-109.6	-32	0	0	0	112.9
976	D	30.2	Very low	30.9	Very low	133 Å²	133	136 Å²	136	71%	0.711	70%	0.704	S	S	*	*			trans	75.9	103	157.8	-72.8	-23.9	0	0	0	122.7
977	T	33.7	Very low	31	Very low	107 Å²	107	137.1 Å²	137.1	66%	0.656	70%	0.697	S	S	*	*			trans	78.1	115.6	131.2	58.5	0	0	0	0	120.5
978	E	30.2	Very low	31.3	Very low	170 Å²	170	132.9 Å²	132.9	79%	0.794	68%	0.683	S	S	*	*				70.8	128.7	99.1	-68.1	-175.5	179.9	0	0	114
979	I	33	Very low	31.3	Very low	135 Å²	135	133.4 Å²	133.4	69%	0.692	69%	0.688	S	S	*	*			cis	-158.4	128.8	16.9	-102.6	150.6	0	0	0	107
980	L	29	Very low	31.3	Very low	135 Å²	135	132.6 Å²	132.6	71%	0.707	69%	0.693	S	S	*	*				60.1	119.7	92.1	-99.8	176.1	0	0	0	117.5
981	Y	30.9	Very low	31.1	Very low	213 Å²	213	135.9 Å²	135.9	84%	0.835	70%	0.698	S	S	*	*			trans	75.1	145.3	177.5	-61	-87.1	0	0	0	116.1
982	S	32	Very low	31.1	Very low	96 Å²	96	135.2 Å²	135.2	67%	0.671	70%	0.697	S	S	*	*			cis	-155.1	137.2	19.8	-155.2	0	0	0	0	116.2
983	S	28.1	Very low	31.3	Very low	88 Å²	88	133.7 Å²	133.7	62%	0.615	69%	0.693	S	S	*	*			trans	36	121.9	139.9	63.6	0	0	0	0	121.7
984	K	33.4	Very low	30.6	Very low	168 Å²	168	137.2 Å²	137.2	73%	0.73	70%	0.702	S	S	*	*				-175.5	124	99.6	-94.8	-170.8	172.9	-170.4	0	108.3	L225	L225-K984 VanDerWaalsContact CD1-O 3.28Å; L225-K984 WeakPolarHBondContact CD1-O 3.41Å
985	D	32.7	Very low	30.5	Very low	112 Å²	112	136 Å²	136	60%	0.599	71%	0.705	S	S	*	*				75	111.3	69.8	-66.5	-39.4	0	0	0	113.2
986	Q	30.7	Very low	30.4	Very low	147 Å²	147	132.6 Å²	132.6	69%	0.687	70%	0.703	S	S	*	*			trans	81.6	114.4	135	-68.8	-166.6	-95.1	0	0	121.8
987	D	32.9	Very low	30.2	Very low	111 Å²	111	133.3 Å²	133.3	59%	0.594	71%	0.711	S	S	*	*				88.4	151.8	114	-66.6	12.6	0	0	0	122.1
988	V	32.8	Very low	30	Very low	91 Å²	91	132.3 Å²	132.3	55%	0.552	71%	0.709	S	S	*	*			cis	-170.3	160.4	-34.9	86.1	0	0	0	0	110.2
989	L	27.7	Very low	29.9	Very low	138 Å²	138	131.4 Å²	131.4	72%	0.723	71%	0.709	S	S	*	*			trans	43.5	118.1	159.1	-58.1	174.8	0	0	0	121.1
990	S	27.3	Very low	29.6	Very low	96 Å²	96	131 Å²	131	67%	0.671	71%	0.706	S	S	*	*				149.6	138.1	119.7	58	0	0	0	0	109.9
991	Y	26.6	Very low	29.6	Very low	207 Å²	207	129.7 Å²	129.7	81%	0.812	70%	0.704	S	S	*	*			cis	-138.3	165.4	21.6	-80.1	-99.6	0	0	0	113.1
992	Q	29.1	Very low	29.4	Very low	167 Å²	167	126.9 Å²	126.9	78%	0.78	70%	0.699	S	S	*	*			trans	67.7	143.9	160.9	-71.5	-174.8	8.8	0	0	118.2
993	L	31.2	Very low	29.2	Very low	124 Å²	124	128.4 Å²	128.4	65%	0.649	70%	0.704	S	S	*	*			cis	-161.9	124.2	-24.1	-128.8	175.5	0	0	0	108.5
994	E	25.5	Very low	29.5	Very low	164 Å²	164	128.3 Å²	128.3	77%	0.766	70%	0.701	S	S	*	*	S	Bend	trans	-63.1	141.7	165.9	-86.5	-168.1	122.5	0	0	110.7
995	S	31.2	Very low	29.2	Very low	113 Å²	113	125.9 Å²	125.9	79%	0.79	70%	0.701	S	S	*	*			trans	71	115.3	161.7	76.6	0	0	0	0	118.8
996	G	29.7	Very low	29.2	Very low	70 Å²	70	128.9 Å²	128.9	72%	0.722	71%	0.709	S	S	*	*			trans	128.8	96.2	133.2	0	0	0	0	0	118.5
997	V	27.1	Very low	29.5	Very low	147 Å²	147	126.6 Å²	126.6	89%	0.891	71%	0.709	S	S	*	*			trans	75.3	138.6	145.4	-177.1	0	0	0	0	117.8
998	S	28.4	Very low	29.5	Very low	87 Å²	87	127.4 Å²	127.4	61%	0.608	71%	0.713	S	S	*	*			trans	80.7	106.7	152.3	167	0	0	0	0	121.5
999	L	29.1	Very low	29.7	Very low	151 Å²	151	128.4 Å²	128.4	79%	0.791	72%	0.719	S	S	*	*			trans	68	160.3	131.3	-51.6	178.5	0	0	0	116.9
1000	I	27	Very low	30	Very low	125 Å²	125	127.3 Å²	127.3	64%	0.641	72%	0.718	S	S	*	*			cis	-161.4	147.6	-9.4	-125.8	170.4	0	0	0	110.7
1001	T	27.5	Very low	30.3	Very low	108 Å²	108	125.9 Å²	125.9	66%	0.663	72%	0.718	S	S	*	*			trans	59.4	160	159.2	60.9	0	0	0	0	119.8
1002	E	28	Very low	30.7	Very low	155 Å²	155	124.7 Å²	124.7	72%	0.724	72%	0.717	S	S	*	*			cis	-159.7	113.9	-17.4	-113	169.9	-155.5	0	0	113.4
1003	T	26.5	Very low	30.9	Very low	127 Å²	127	118.4 Å²	118.4	78%	0.779	69%	0.692	S	S	*	*			trans	55.1	-166	144.5	78.1	0	0	0	0	118.5
1004	P	34.2	Very low	30.8	Very low	86 Å²	86	117.6 Å²	117.6	56%	0.558	69%	0.694	S	S	*	*			cis	-129.7	150.2	-23.3	33.1	-15.2	0	0	0	116.3	K1006	P1004-K1006 PolarHBondContact O-NZ 2.68Å
1005	T	29.1	Very low	30.8	Very low	117 Å²	117	113.8 Å²	113.8	72%	0.718	69%	0.685	S	S	*	*			trans	61.3	157.2	164.4	65.8	0	0	0	0	115.3
1006	K	32.2	Very low	30.9	Very low	175 Å²	175	112.8 Å²	112.8	76%	0.761	68%	0.678	S	S	*	*			cis	-149.5	160.1	29.4	-43.3	81.7	-151.9	131.8	0	107.6	P1004	P1004-K1006 PolarHBondContact O-NZ 2.68Å
1007	S	37.3	Very low	31	Very low	99 Å²	99	111.9 Å²	111.9	69%	0.692	67%	0.669	S	S	*	*			cis	-128.8	-121.2	-5.4	42.6	0	0	0	0	108.7
1008	D	31.7	Very low	31.1	Very low	128 Å²	128	109.3 Å²	109.3	68%	0.684	65%	0.646	S	S	*	*			cis	-147.4	134.6	-13.2	-136.7	44.3	0	0	0	105
1009	V	36.8	Very low	31.2	Very low	113 Å²	113	107 Å²	107	69%	0.685	63%	0.632	S	S	*	*				76.7	106.8	56.1	-178.1	0	0	0	0	110.7
1010	V	34.9	Very low	31.2	Very low	115 Å²	115	102.5 Å²	102.5	70%	0.697	61%	0.609	S	S	*	*			cis	-137.2	145.3	14.9	-172.1	0	0	0	0	110.4	K1012	V1010-K1012 HydrophobicContact CG1-CD 4.33Å
1011	G	33.6	Very low	31.4	Very low	65 Å²	65	102 Å²	102	67%	0.67	61%	0.607	S	S	*	*			cis	137.4	170.5	-9.8	0	0	0	0	0	115.6
1012	K	34.9	Very low	31.6	Very low	183 Å²	183	102.5 Å²	102.5	80%	0.796	61%	0.61	S	S	*	*			trans	71.6	118.2	162.5	-52	167.4	-176.5	171.2	0	118	V1010	V1010-K1012 HydrophobicContact CG1-CD 4.33Å
1013	S	32.3	Very low	31.6	Very low	34 Å²	34	105.5 Å²	105.5	24%	0.238	62%	0.617	C	S	.	*			cis	-174.8	152	-17.6	22.5	0	0	0	0	109.1	D1290 K1291	S1013-D1290 CarbonylContact C-O 3.21Å; S1013-D1290 VanDerWaalsContact OG-CB 3.31Å; S1013-D1290 WeakPolarHBondContact OG-CB 3.03Å; S1013-D1290 PolarHBondContact OG-OD2 3.35Å; S1013-K1291 PolarHBondContact OG-NZ 2.96Å; S1013-K1291 VanDerWaalsContact OG-NZ 3.11Å
1014	P	29.5	Very low	31.8	Very low	107 Å²	107	106.6 Å²	106.6	70%	0.695	62%	0.617	S	S	*	*			trans	-108.1	166.7	171	40.5	-33.2	0	0	0	113.9	K1289 D1290 K1291	P1014-K1289 CarbonylContact O-C 3.26Å; P1014-D1290 VanDerWaalsContact C-C 3.4Å; P1014-D1290 CarbonylContact C-O 3.42Å; P1014-D1290 WeakPolarHBondContact CA-O 3.44Å; P1014-D1290 CarbonylContact O-C 3.46Å; P1014-K1291 CarbonylContact C-O 2.87Å; P1014-K1291 WeakPolarHBondContact CA-O 3.37Å
1015	S	27	Very low	31.6	Very low	84 Å²	84	106 Å²	106	59%	0.587	62%	0.619	S	S	*	*			trans	-94.4	128.3	-163.8	56.1	0	0	0	0	118.1	K1289 D1290 K1291	S1015-K1289 CarbonylContact C-O 3.11Å; S1015-K1289 VanDerWaalsContact C-O 3.32Å; S1015-K1289 WeakPolarHBondContact CA-O 3.16Å; S1015-D1290 PolarHBondContact N-O 2.7Å; S1015-D1290 VanDerWaalsContact N-O 3.13Å; S1015-K1291 WeakPolarHBondContact CB-O 3.36Å; S1015-K1291 PolarHBondContact N-O 3.09Å; S1015-K1291 PolarHBondContact OG-O 2.67Å; S1015-K1291 VanDerWaalsContact OG-O 3.13Å
1016	S	32.1	Very low	31.5	Very low	92 Å²	92	105.3 Å²	105.3	64%	0.643	63%	0.625	S	S	*	*			trans	-173.5	-172.7	158.3	58	0	0	0	0	110.2	L1288 K1289	S1016-L1288 CarbonylContact O-C 3.11Å; S1016-K1289 PolarHBondContact N-O 3.28Å; S1016-K1289 PolarHBondContact O-N 3.44Å
1017	G	31.4	Very low	31.4	Very low	52 Å²	52	101.5 Å²	101.5	54%	0.536	63%	0.626	S	S	.	*			cis	153	45.8	-24.9	0	0	0	0	0	118.3	N1287	G1017-N1287 PolarHBondContact N-O 2.69Å; G1017-N1287 VanDerWaalsContact N-O 3.13Å
1018	K	29.4	Very low	30.9	Very low	92 Å²	92	102.7 Å²	102.7	40%	0.4	64%	0.635	S	S	.	*			trans	89.4	107.8	134.9	-66.1	-179.6	147.4	168.3	0	121.3	Q1282 L1283 R1285 R1286 N1287	K1018-Q1282 PolarHBondContact NZ-O 3.27Å; K1018-L1283 VanDerWaalsContact CD-O 3.23Å; K1018-L1283 WeakPolarHBondContact CD-O 3.29Å; K1018-L1283 VanDerWaalsContact CE-O 3.31Å; K1018-L1283 WeakPolarHBondContact CE-O 3.23Å; K1018-L1283 PolarHBondContact NZ-O 3.3Å; K1018-R1285 HydrophobicContact CB-CB 3.94Å; K1018-R1285 WeakPolarHBondContact CD-O 3.38Å; K1018-R1285 WeakPolarHBondContact CE-O 3.3Å; K1018-R1285 VanDerWaalsContact CG-O 3.22Å; K1018-R1285 WeakPolarHBondContact CG-O 3.46Å; K1018-R1286 CarbonylContact C-O 2.98Å; K1018-R1286 WeakPolarHBondContact CA-O 3.26Å; K1018-N1287 PolarHBondContact N-O 3.02Å; K1018-N1287 VanDerWaalsContact N-O 3.17Å
1019	A	29.9	Very low	31	Very low	38 Å²	38	98.9 Å²	98.9	31%	0.314	63%	0.626	S	S	.	*	B	Isolated β-bridge	trans	-130.4	140.8	164.3	0	0	0	0	0	115.2	R1285 R1286	A1019-R1285 VanDerWaalsContact CA-CB 3.5Å; A1019-R1286 PolarHBondContact N-O 3.35Å; A1019-R1286 WeakPolarHBondContact O-CA 3.3Å; A1019-R1286 WeakPolarHBondContact O-CB 3.03Å; A1019-R1286 VanDerWaalsContact O-CG 3.3Å; A1019-R1286 WeakPolarHBondContact O-CG 3.32Å; A1019-R1286 PolarHBondContact O-N 3.34Å; A1019-R1286 PolarHBondContact O-NE 2.7Å
1020	D	31.1	Very low	30.6	Very low	58 Å²	58	98.4 Å²	98.4	31%	0.31	63%	0.634	S	S	.	*			trans	54.3	168.7	177	-26.5	-56.5	0	0	0	118.9	R1285 R1286	D1020-R1285 VanDerWaalsContact N-CB 3.31Å; D1020-R1285 WeakPolarHBondContact O-CA 3.27Å; D1020-R1285 VanDerWaalsContact O-CB 3.27Å; D1020-R1285 WeakPolarHBondContact O-CB 3.49Å; D1020-R1285 IonicContact OD1-CZ 2.73Å; D1020-R1285 IonicContact OD1-NE 3.58Å; D1020-R1285 IonicContact OD1-NH2 2.65Å; D1020-R1285 PolarHBondContact OD1-NH2 2.87Å; D1020-R1286 WeakPolarHBondContact O-CG 3.18Å; D1020-R1286 PolarHBondContact O-N 3.22Å; D1020-R1286 IonicContact OD2-CZ 3.53Å; D1020-R1286 IonicContact OD2-NH2 3.3Å; D1020-R1286 PolarHBondContact OD2-NH2 3.15Å
1021	L	29.4	Very low	30.1	Very low	113 Å²	113	97.9 Å²	97.9	59%	0.592	64%	0.635	S	S	*	*			cis	78.7	153.8	6.5	-41.2	179.7	0	0	0	115.4	I1284	L1021-I1284 HydrophobicContact CD2-CG2 4.2Å
1022	T	33.3	Very low	30.1	Very low	120 Å²	120	101 Å²	101	74%	0.736	64%	0.641	S	S	*	*			cis	-140.2	145.6	-4.2	-54.1	0	0	0	0	109.6
1023	Y	26.9	Very low	29.9	Very low	218 Å²	218	96.4 Å²	96.4	86%	0.855	64%	0.637	S	S	*	*			trans	27.5	124.5	164.3	-82.1	-118.1	0	0	0	121.8
1024	L	30.2	Very low	30	Very low	149 Å²	149	103.1 Å²	103.1	78%	0.78	67%	0.666	S	S	*	*				-134	156.5	116.3	-118	179	0	0	0	110
1025	A	30.9	Very low	30.1	Very low	74 Å²	74	106.7 Å²	106.7	61%	0.612	67%	0.674	S	S	*	*			trans	-60.8	155.7	178.4	0	0	0	0	0	111.7
1026	A	26	Very low	30.3	Very low	102 Å²	102	111 Å²	111	84%	0.843	68%	0.682	S	S	*	*			cis	67.1	53.5	36.8	0	0	0	0	0	115.4
1027	A	30	Very low	30.4	Very low	95 Å²	95	112.1 Å²	112.1	79%	0.785	69%	0.686	S	S	*	*			trans	-168.5	127.2	133.8	0	0	0	0	0	114.7
1028	S	26.7	Very low	30.5	Very low	125 Å²	125	117.3 Å²	117.3	87%	0.874	70%	0.696	S	S	*	*				-121.3	121.3	115.3	163.6	0	0	0	0	103.8
1029	G	33.9	Very low	30.8	Very low	48 Å²	48	122.1 Å²	122.1	50%	0.495	72%	0.72	S	S	.	*			cis	92.9	93.8	30.1	0	0	0	0	0	106.5
1030	A	29.2	Very low	31.1	Very low	103 Å²	103	128.2 Å²	128.2	85%	0.851	74%	0.742	S	S	*	*			cis	64.3	100.3	32.8	0	0	0	0	0	112.7
1031	S	25.4	Very low	31.4	Very low	103 Å²	103	134.6 Å²	134.6	72%	0.72	77%	0.77	S	S	*	*			trans	-152.2	139	166	-61	0	0	0	0	104.7
1032	V	33.8	Very low	31.7	Very low	132 Å²	132	137.9 Å²	137.9	80%	0.8	78%	0.782	S	S	*	*				52.8	102.1	70.1	-173.9	0	0	0	0	108.9
1033	A	29.8	Very low	31.8	Very low	85 Å²	85	141.2 Å²	141.2	70%	0.702	79%	0.789	S	S	*	*			cis	74.3	72	40.4	0	0	0	0	0	114
1034	M	34.3	Very low	32.1	Very low	175 Å²	175	137.6 Å²	137.6	86%	0.862	78%	0.78	S	S	*	*			trans	-152.3	148.9	135.6	-144	151	-70.9	0	0	110.4
1035	E	30.9	Very low	32.3	Very low	183 Å²	183	139 Å²	139	86%	0.855	78%	0.782	S	S	*	*			trans	-91.2	154.8	167.4	-165.6	156.6	-146.4	0	0	108.6	T1037	E1035-T1037 PolarHBondContact O-N 3.25Å
1036	F	31	Very low	32.2	Very low	174 Å²	174	143.8 Å²	143.8	76%	0.763	79%	0.786	S	S	*	*	S	Bend	trans	-62.7	105.9	-159.9	-79.1	-91.3	0	0	0	115.9
1037	T	34.2	Very low	32.6	Very low	116 Å²	116	143.6 Å²	143.6	71%	0.712	78%	0.778	S	S	*	*			trans	-149.7	163.1	137.5	37.3	0	0	0	0	109.9	E1035	E1035-T1037 PolarHBondContact O-N 3.25Å
1038	E	33.7	Very low	32.3	Very low	161 Å²	161	147.7 Å²	147.7	75%	0.752	78%	0.784	S	S	*	*			trans	-54.8	162.2	170.2	-64.8	86.5	-175.6	0	0	112.6
1039	E	36.4	Very low	32.6	Very low	193 Å²	193	147.6 Å²	147.6	90%	0.902	78%	0.777	S	S	*	*			cis	-152.8	-173.7	31.6	-144	145.3	-137	0	0	113.1
1040	E	36.7	Very low	32.2	Very low	165 Å²	165	151.6 Å²	151.6	77%	0.771	80%	0.796	S	S	*	*			trans	-112.7	149.4	-171.6	-66.5	170.5	140.3	0	0	113.8
1041	E	36.1	Very low	32.2	Very low	193 Å²	193	152.6 Å²	152.6	90%	0.902	79%	0.794	S	S	*	*			trans	169.8	108.4	149.8	-98	172.1	-165.4	0	0	106.2
1042	E	36.7	Very low	32.5	Very low	182 Å²	182	150.9 Å²	150.9	85%	0.85	79%	0.793	S	S	*	*				77.4	121.5	51.6	-64.6	-157.4	148.4	0	0	115.6
1043	E	34.7	Very low	32.3	Very low	190 Å²	190	157.4 Å²	157.4	89%	0.888	80%	0.803	S	S	*	*				-140.6	-30.5	-63.6	-173.9	162.7	-137.1	0	0	113.4
1044	E	33.2	Very low	32.2	Very low	142 Å²	142	162 Å²	162	66%	0.664	81%	0.812	S	S	*	*				-128.2	-177.4	-105	-121	-73.6	59.1	0	0	111.9	Y1046	E1044-Y1046 WeakPolarHBondContact OE1-CD2 3.32Å
1045	E	35.8	Very low	31.7	Very low	177 Å²	177	162.6 Å²	162.6	83%	0.827	81%	0.81	S	S	*	*			trans	69.6	104.4	-166.6	-71.8	-160	122.8	0	0	113.6
1046	Y	28.4	Very low	31.5	Very low	176 Å²	176	160 Å²	160	69%	0.69	81%	0.807	S	S	*	*			cis	70.1	138.8	22	-108.1	-74.6	0	0	0	116.4	E1044	E1044-Y1046 WeakPolarHBondContact OE1-CD2 3.32Å
1047	S	33.5	Very low	31.4	Very low	97 Å²	97	156.2 Å²	156.2	68%	0.678	80%	0.798	S	S	*	*			trans	63.7	119.5	-165.2	82.8	0	0	0	0	113.1
1048	M	23.2	Very low	31.3	Very low	182 Å²	182	157.2 Å²	157.2	90%	0.897	79%	0.794	S	S	*	*			cis	58.1	86.2	21.1	-171.2	-177.7	171.7	0	0	113.8
1049	V	33.3	Very low	31.3	Very low	122 Å²	122	159.6 Å²	159.6	74%	0.739	81%	0.805	S	S	*	*				-159.7	120.3	119.5	149.3	0	0	0	0	108.4	P1051	V1049-P1051 HydrophobicContact CG1-CG 4.16Å
1050	C	26.8	Very low	31.2	Very low	133 Å²	133	152.8 Å²	152.8	90%	0.899	79%	0.787	S	S	*	*			trans	-103.5	130.3	164.9	-77.8	0	0	0	0	109.3
1051	P	29.4	Very low	31.6	Very low	124 Å²	124	148.2 Å²	148.2	81%	0.805	77%	0.768	S	S	*	*			trans	-143.7	71.1	148.6	33.3	-12.9	0	0	0	111.4	V1049	V1049-P1051 HydrophobicContact CG1-CG 4.16Å
1052	G	31.2	Very low	32.3	Very low	67 Å²	67	143.6 Å²	143.6	69%	0.691	76%	0.757	S	S	*	*			trans	-135.5	120.2	178	0	0	0	0	0	111.8	M1054	G1052-M1054 VanDerWaalsContact C-N 3.31Å; G1052-M1054 PolarHBondContact O-N 2.73Å
1053	R	28.9	Very low	33.3	Very low	268 Å²	268	137.9 Å²	137.9	100%	1.011	74%	0.737	S	S	*	*			trans	-78.1	71.7	-171.5	-166.8	-178.3	-171.7	169.6	2.7	112.6
1054	M	27.8	Very low	34.9	Very low	181 Å²	181	134.7 Å²	134.7	89%	0.892	72%	0.722	S	S	*	*			trans	-122.2	169	176.3	-157.3	82.1	153.6	0	0	110.3	G1052	G1052-M1054 VanDerWaalsContact C-N 3.31Å; G1052-M1054 PolarHBondContact O-N 2.73Å
1055	K	24.2	Very low	36.5	Very low	189 Å²	189	133.7 Å²	133.7	82%	0.822	72%	0.72	S	S	*	*			trans	-78.8	157.5	-171.3	-61.6	174	-178	175.8	0	112.6
1056	T	26.4	Very low	38.2	Very low	128 Å²	128	129.6 Å²	129.6	79%	0.785	71%	0.707	S	S	*	*			trans	71.1	143.5	-177	74.3	0	0	0	0	113.3
1057	T	29.3	Very low	40.4	Very low	95 Å²	95	127.6 Å²	127.6	58%	0.583	70%	0.704	S	S	*	*			cis	-148.5	171.2	-2.1	-12.8	0	0	0	0	110.5
1058	E	31.3	Very low	42.5	Very low	136 Å²	136	124.9 Å²	124.9	64%	0.636	69%	0.685	S	S	*	*			trans	42.1	93.4	149.6	-70.3	164.1	-141.9	0	0	120.4
1059	H	33.5	Very low	44.9	Very low	212 Å²	212	119 Å²	119	98%	0.981	67%	0.665	S	S	*	*	S	Bend	trans	-144.5	45.3	140.6	-92.8	-16.8	0	0	0	112.1
1060	G	36	Very low	47.3	Very low	50 Å²	50	118.4 Å²	118.4	52%	0.515	66%	0.657	S	S	.	*	S	Bend	trans	-125	-15.2	171.6	0	0	0	0	0	115	S1063	G1060-S1063 PolarHBondContact O-OG 3.09Å
1061	D	44.3	Very low	50.1	Low	69 Å²	69	115.4 Å²	115.4	37%	0.369	63%	0.632	S	S	.	*			trans	-118.4	19.8	-157.8	-73.9	-27.1	0	0	0	115.1	S1063 Q1064 L1065	D1061-S1063 PolarHBondContact O-N 3.15Å; D1061-Q1064 HydrophobicContact CB-CB 3.99Å; D1061-Q1064 HydrophobicContact CB-CG 4.43Å; D1061-Q1064 VanDerWaalsContact CG-NE2 3.34Å; D1061-Q1064 PolarHBondContact O-N 3.34Å; D1061-Q1064 VanDerWaalsContact O-N 3.16Å; D1061-Q1064 WeakPolarHBondContact OD1-CG 3.47Å; D1061-Q1064 PolarHBondContact OD1-NE2 3.43Å; D1061-L1065 WeakPolarHBondContact O-CB 3.29Å; D1061-L1065 PolarHBondContact O-N 2.94Å
1062	S	50.5	Low	52.5	Low	96 Å²	96	118 Å²	118	67%	0.671	63%	0.626	S	S	*	*	H	α-helix	trans	-60.5	-33.1	164	55.5	0	0	0	0	111.4	V1066	S1062-V1066 WeakPolarHBondContact O-CB 3.36Å; S1062-V1066 VanDerWaalsContact O-CG2 3.3Å; S1062-V1066 WeakPolarHBondContact O-CG2 3.34Å; S1062-V1066 PolarHBondContact O-N 3.11Å
1063	S	57.1	Low	54.9	Low	61 Å²	61	118 Å²	118	43%	0.427	62%	0.616	S	S	.	*	H	α-helix	trans	-63.4	-48.9	168.6	55.9	0	0	0	0	111.9	G1060 D1061 L1065 V1066 H1067	G1060-S1063 PolarHBondContact O-OG 3.09Å; D1061-S1063 PolarHBondContact O-N 3.15Å; S1063-L1065 PolarHBondContact O-N 2.94Å; S1063-V1066 PolarHBondContact O-N 2.82Å; S1063-H1067 WeakPolarHBondContact O-CB 3.45Å; S1063-H1067 PolarHBondContact O-CD2 3.07Å; S1063-H1067 PolarHBondContact O-N 2.71Å
1064	Q	68.1	Low	57.2	Low	124 Å²	124	107.4 Å²	107.4	58%	0.579	59%	0.585	S	S	*	*	H	α-helix	trans	-65.9	-35.7	178.1	-70.8	-159.2	61.2	0	0	112.8	D1061 H1067 S1068	D1061-Q1064 HydrophobicContact CB-CB 3.99Å; D1061-Q1064 HydrophobicContact CB-CG 4.43Å; D1061-Q1064 VanDerWaalsContact CG-NE2 3.34Å; D1061-Q1064 PolarHBondContact O-N 3.34Å; D1061-Q1064 VanDerWaalsContact O-N 3.16Å; D1061-Q1064 WeakPolarHBondContact OD1-CG 3.47Å; D1061-Q1064 PolarHBondContact OD1-NE2 3.43Å; Q1064-H1067 PolarHBondContact O-N 3.37Å; Q1064-S1068 VanDerWaalsContact O-CB 3.29Å; Q1064-S1068 WeakPolarHBondContact O-CB 3.27Å; Q1064-S1068 PolarHBondContact O-N 2.65Å
1065	L	67.4	Low	60	Low	120 Å²	120	104.3 Å²	104.3	63%	0.628	57%	0.567	S	S	*	*	H	α-helix	trans	-64.3	-45.1	172.4	-91.9	166.4	0	0	0	111.6	D1061 S1063 S1068 A1069	D1061-L1065 WeakPolarHBondContact O-CB 3.29Å; D1061-L1065 PolarHBondContact O-N 2.94Å; S1063-L1065 PolarHBondContact O-N 2.94Å; L1065-S1068 PolarHBondContact O-N 3.37Å; L1065-A1069 WeakPolarHBondContact O-CB 3.12Å; L1065-A1069 PolarHBondContact O-N 2.68Å
1066	V	72.6	Confident	62.5	Low	91 Å²	91	100.4 Å²	100.4	55%	0.552	55%	0.553	S	S	*	*	H	α-helix	trans	-62.5	-46.1	173.8	169	0	0	0	0	110.8	S1062 S1063 S1068 A1069 L1070	S1062-V1066 WeakPolarHBondContact O-CB 3.36Å; S1062-V1066 VanDerWaalsContact O-CG2 3.3Å; S1062-V1066 WeakPolarHBondContact O-CG2 3.34Å; S1062-V1066 PolarHBondContact O-N 3.11Å; S1063-V1066 PolarHBondContact O-N 2.82Å; V1066-S1068 PolarHBondContact O-N 3.13Å; V1066-A1069 PolarHBondContact O-N 2.68Å; V1066-L1070 VanDerWaalsContact O-CB 3.28Å; V1066-L1070 WeakPolarHBondContact O-CB 3.2Å; V1066-L1070 PolarHBondContact O-N 3.14Å
1067	H	73	Confident	65	Low	134 Å²	134	99.1 Å²	99.1	62%	0.62	54%	0.54	S	S	*	.	H	α-helix	trans	-62.8	-37.9	176	-83.8	-72.8	0	0	0	112.6	S1063 Q1064 L1070 D1071	S1063-H1067 WeakPolarHBondContact O-CB 3.45Å; S1063-H1067 PolarHBondContact O-CD2 3.07Å; S1063-H1067 PolarHBondContact O-N 2.71Å; Q1064-H1067 PolarHBondContact O-N 3.37Å; H1067-L1070 PolarHBondContact O-N 2.94Å; H1067-D1071 WeakPolarHBondContact O-CB 2.88Å; H1067-D1071 PolarHBondContact O-N 3.45Å
1068	S	77.8	Confident	67.1	Low	41 Å²	41	98.3 Å²	98.3	29%	0.287	54%	0.536	S	S	.	.	H	α-helix	trans	-70.6	-37.9	176.3	-162	0	0	0	0	111.7	Q1064 L1065 V1066 L1070 R1072	Q1064-S1068 VanDerWaalsContact O-CB 3.29Å; Q1064-S1068 WeakPolarHBondContact O-CB 3.27Å; Q1064-S1068 PolarHBondContact O-N 2.65Å; L1065-S1068 PolarHBondContact O-N 3.37Å; V1066-S1068 PolarHBondContact O-N 3.13Å; S1068-L1070 VanDerWaalsContact C-N 3.34Å; S1068-R1072 VanDerWaalsContact O-CB 3.24Å; S1068-R1072 WeakPolarHBondContact O-CB 3.22Å; S1068-R1072 WeakPolarHBondContact O-CG 3.28Å; S1068-R1072 PolarHBondContact O-N 3.3Å; S1068-R1072 PolarHBondContact OG-NE 3.46Å
1069	A	74.7	Confident	68.8	Low	57 Å²	57	99.4 Å²	99.4	47%	0.471	53%	0.534	S	S	.	.	H	α-helix	trans	-65.4	-38.1	172.4	0	0	0	0	0	111.9	L1065 V1066 S1073	L1065-A1069 WeakPolarHBondContact O-CB 3.12Å; L1065-A1069 PolarHBondContact O-N 2.68Å; V1066-A1069 PolarHBondContact O-N 2.68Å; A1069-S1073 VanDerWaalsContact O-CB 3.32Å; A1069-S1073 WeakPolarHBondContact O-CB 3.1Å; A1069-S1073 PolarHBondContact O-N 3.28Å; A1069-S1073 PolarHBondContact O-OG 2.64Å
1070	L	83	Confident	70.4	Confident	111 Å²	111	93.5 Å²	93.5	58%	0.581	51%	0.509	S	S	*	.	H	α-helix	trans	-73.9	-37.7	178.8	-147.4	151.6	0	0	0	111.5	V1066 H1067 S1068 S1073 A1074	V1066-L1070 VanDerWaalsContact O-CB 3.28Å; V1066-L1070 WeakPolarHBondContact O-CB 3.2Å; V1066-L1070 PolarHBondContact O-N 3.14Å; H1067-L1070 PolarHBondContact O-N 2.94Å; S1068-L1070 VanDerWaalsContact C-N 3.34Å; L1070-S1073 WeakPolarHBondContact CA-OG 3.17Å; L1070-S1073 PolarHBondContact O-OG 2.78Å; L1070-A1074 WeakPolarHBondContact O-CB 3.29Å; L1070-A1074 PolarHBondContact O-N 2.99Å
1071	D	85.5	Confident	71.6	Confident	69 Å²	69	97.7 Å²	97.7	37%	0.369	52%	0.515	S	S	.	.	H	α-helix	trans	-66.8	-44.2	170.8	171.7	66.4	0	0	0	112.4	H1067 A1074 K1075	H1067-D1071 WeakPolarHBondContact O-CB 2.88Å; H1067-D1071 PolarHBondContact O-N 3.45Å; D1071-A1074 PolarHBondContact O-N 2.77Å; D1071-K1075 VanDerWaalsContact O-CB 3.3Å; D1071-K1075 WeakPolarHBondContact O-CB 3.4Å; D1071-K1075 VanDerWaalsContact O-CG 3.3Å; D1071-K1075 WeakPolarHBondContact O-CG 3.44Å; D1071-K1075 PolarHBondContact O-N 3.2Å; D1071-K1075 WeakPolarHBondContact OD1-CE 3.22Å; D1071-K1075 IonicContact OD1-NZ 3.69Å; D1071-K1075 PolarHBondContact OD1-NZ 3.34Å; D1071-K1075 IonicContact OD2-NZ 2.68Å; D1071-K1075 PolarHBondContact OD2-NZ 3.37Å
1072	R	79.8	Confident	72.7	Confident	178 Å²	178	99.3 Å²	99.3	67%	0.672	53%	0.528	S	S	*	.	H	α-helix	trans	-63	-43.7	174.8	-73.9	172.3	-165.7	-159.9	3.8	111.7	S1068 K1075 M1076	S1068-R1072 VanDerWaalsContact O-CB 3.24Å; S1068-R1072 WeakPolarHBondContact O-CB 3.22Å; S1068-R1072 WeakPolarHBondContact O-CG 3.28Å; S1068-R1072 PolarHBondContact O-N 3.3Å; S1068-R1072 PolarHBondContact OG-NE 3.46Å; R1072-K1075 PolarHBondContact O-N 2.7Å; R1072-M1076 WeakPolarHBondContact O-CB 3.11Å; R1072-M1076 PolarHBondContact O-N 2.77Å
1073	S	81.5	Confident	72.4	Confident	69 Å²	69	103.6 Å²	103.6	48%	0.483	53%	0.531	S	S	.	.	H	α-helix	trans	-71.8	-35.1	177.8	54.6	0	0	0	0	112.5	A1069 L1070 M1076 L1077	A1069-S1073 VanDerWaalsContact O-CB 3.32Å; A1069-S1073 WeakPolarHBondContact O-CB 3.1Å; A1069-S1073 PolarHBondContact O-N 3.28Å; A1069-S1073 PolarHBondContact O-OG 2.64Å; L1070-S1073 WeakPolarHBondContact CA-OG 3.17Å; L1070-S1073 PolarHBondContact O-OG 2.78Å; S1073-M1076 PolarHBondContact O-N 3.08Å; S1073-L1077 WeakPolarHBondContact O-CB 3.16Å; S1073-L1077 PolarHBondContact O-N 3.44Å
1074	A	78.6	Confident	71.5	Confident	44 Å²	44	103.1 Å²	103.1	36%	0.364	54%	0.535	S	S	.	.	H	α-helix	trans	-61.6	-49.5	168.9	0	0	0	0	0	111.3	L1070 D1071 M1076 L1077 T1078	L1070-A1074 WeakPolarHBondContact O-CB 3.29Å; L1070-A1074 PolarHBondContact O-N 2.99Å; D1071-A1074 PolarHBondContact O-N 2.77Å; A1074-M1076 VanDerWaalsContact C-N 3.28Å; A1074-M1076 PolarHBondContact O-N 2.8Å; A1074-L1077 CarbonylContact O-C 3.17Å; A1074-L1077 WeakPolarHBondContact O-CB 3.38Å; A1074-L1077 PolarHBondContact O-N 2.82Å; A1074-L1077 VanDerWaalsContact O-N 3.08Å; A1074-T1078 PolarHBondContact O-N 3.06Å; A1074-T1078 PolarHBondContact O-OG1 3.27Å; A1074-T1078 VanDerWaalsContact O-OG1 3.06Å
1075	K	84.8	Confident	69.9	Low	116 Å²	116	105.9 Å²	105.9	50%	0.504	55%	0.545	S	S	.	.	H	α-helix	trans	-60.9	-35.1	175.4	-76.6	166.2	176.7	158.2	0	112.5	D1071 R1072 R1079	D1071-K1075 VanDerWaalsContact O-CB 3.3Å; D1071-K1075 WeakPolarHBondContact O-CB 3.4Å; D1071-K1075 VanDerWaalsContact O-CG 3.3Å; D1071-K1075 WeakPolarHBondContact O-CG 3.44Å; D1071-K1075 PolarHBondContact O-N 3.2Å; D1071-K1075 WeakPolarHBondContact OD1-CE 3.22Å; D1071-K1075 IonicContact OD1-NZ 3.69Å; D1071-K1075 PolarHBondContact OD1-NZ 3.34Å; D1071-K1075 IonicContact OD2-NZ 2.68Å; D1071-K1075 PolarHBondContact OD2-NZ 3.37Å; R1072-K1075 PolarHBondContact O-N 2.7Å; K1075-R1079 WeakPolarHBondContact O-CB 3.37Å; K1075-R1079 VanDerWaalsContact O-CG 3.25Å; K1075-R1079 WeakPolarHBondContact O-CG 3.24Å; K1075-R1079 PolarHBondContact O-N 3.32Å
1076	M	78.2	Confident	68.2	Low	107 Å²	107	109.6 Å²	109.6	53%	0.527	55%	0.551	S	S	.	*	H	α-helix	trans	-68.9	-40.2	172.8	-169.4	61.7	177.8	0	0	111.8	R1072 S1073 A1074 R1079 L1080	R1072-M1076 WeakPolarHBondContact O-CB 3.11Å; R1072-M1076 PolarHBondContact O-N 2.77Å; S1073-M1076 PolarHBondContact O-N 3.08Å; A1074-M1076 VanDerWaalsContact C-N 3.28Å; A1074-M1076 PolarHBondContact O-N 2.8Å; M1076-R1079 WeakPolarHBondContact O-CB 3.13Å; M1076-R1079 PolarHBondContact O-N 2.91Å; M1076-L1080 HydrophobicContact CG-CD1 4.32Å; M1076-L1080 WeakPolarHBondContact O-CB 3.47Å; M1076-L1080 VanDerWaalsContact O-CG 3.31Å; M1076-L1080 WeakPolarHBondContact O-CG 3.43Å; M1076-L1080 PolarHBondContact O-N 3.34Å
1077	L	77.8	Confident	66.4	Low	101 Å²	101	107.7 Å²	107.7	53%	0.529	55%	0.55	S	S	.	*	H	α-helix	trans	-66.3	-42.9	175.4	-167.4	72.2	0	0	0	111.7	S1073 A1074 R1079 L1080 Q1081	S1073-L1077 WeakPolarHBondContact O-CB 3.16Å; S1073-L1077 PolarHBondContact O-N 3.44Å; A1074-L1077 CarbonylContact O-C 3.17Å; A1074-L1077 WeakPolarHBondContact O-CB 3.38Å; A1074-L1077 PolarHBondContact O-N 2.82Å; A1074-L1077 VanDerWaalsContact O-N 3.08Å; L1077-R1079 VanDerWaalsContact C-N 3.34Å; L1077-L1080 PolarHBondContact O-N 3.18Å; L1077-Q1081 WeakPolarHBondContact O-CG 3.46Å; L1077-Q1081 PolarHBondContact O-N 2.84Å
1078	T	72.7	Confident	64.2	Low	79 Å²	79	102.3 Å²	102.3	49%	0.485	53%	0.526	S	S	.	.	H	α-helix	trans	-60.6	-44.2	172	-53.2	0	0	0	0	110.6	A1074 L1080 Q1081 T1082	A1074-T1078 PolarHBondContact O-N 3.06Å; A1074-T1078 PolarHBondContact O-OG1 3.27Å; A1074-T1078 VanDerWaalsContact O-OG1 3.06Å; T1078-L1080 PolarHBondContact O-N 2.91Å; T1078-Q1081 PolarHBondContact O-N 3.48Å; T1078-Q1081 VanDerWaalsContact O-N 3.13Å; T1078-T1082 PolarHBondContact O-N 2.86Å; T1078-T1082 PolarHBondContact O-OG1 2.93Å
1079	R	68.1	Low	62.2	Low	159 Å²	159	108 Å²	108	60%	0.6	55%	0.552	S	S	*	*	H	α-helix	trans	-58.2	-47.1	173.8	-80.7	173.8	175.3	-172.3	-2.5	111.6	K1075 M1076 L1077 Q1081 T1082 Y1083	K1075-R1079 WeakPolarHBondContact O-CB 3.37Å; K1075-R1079 VanDerWaalsContact O-CG 3.25Å; K1075-R1079 WeakPolarHBondContact O-CG 3.24Å; K1075-R1079 PolarHBondContact O-N 3.32Å; M1076-R1079 WeakPolarHBondContact O-CB 3.13Å; M1076-R1079 PolarHBondContact O-N 2.91Å; L1077-R1079 VanDerWaalsContact C-N 3.34Å; R1079-Q1081 VanDerWaalsContact C-N 3.25Å; R1079-Q1081 PolarHBondContact O-N 3.13Å; R1079-T1082 WeakPolarHBondContact CA-OG1 3.42Å; R1079-T1082 PolarHBondContact O-N 2.87Å; R1079-T1082 PolarHBondContact O-OG1 3.22Å; R1079-Y1083 HydrophobicContact CB-CD2 4.3Å; R1079-Y1083 WeakPolarHBondContact O-CB 3Å; R1079-Y1083 VanDerWaalsContact O-CD2 3.22Å; R1079-Y1083 WeakPolarHBondContact O-CD2 3.3Å; R1079-Y1083 PolarHBondContact O-N 3.04Å
1080	L	67.6	Low	60	Low	88 Å²	88	112.3 Å²	112.3	46%	0.461	56%	0.564	S	S	.	*	H	α-helix	trans	-64.6	-25.8	176.1	-72.3	166.4	0	0	0	113.5	M1076 L1077 T1078	M1076-L1080 HydrophobicContact CG-CD1 4.32Å; M1076-L1080 WeakPolarHBondContact O-CB 3.47Å; M1076-L1080 VanDerWaalsContact O-CG 3.31Å; M1076-L1080 WeakPolarHBondContact O-CG 3.43Å; M1076-L1080 PolarHBondContact O-N 3.34Å; L1077-L1080 PolarHBondContact O-N 3.18Å; T1078-L1080 PolarHBondContact O-N 2.91Å
1081	Q	59.7	Low	57.6	Low	138 Å²	138	109.7 Å²	109.7	65%	0.645	56%	0.564	S	S	*	*	H	α-helix	trans	-80	-33.9	172.5	-72.9	173.6	-9.9	0	0	112.4	L1077 T1078 R1079	L1077-Q1081 WeakPolarHBondContact O-CG 3.46Å; L1077-Q1081 PolarHBondContact O-N 2.84Å; T1078-Q1081 PolarHBondContact O-N 3.48Å; T1078-Q1081 VanDerWaalsContact O-N 3.13Å; R1079-Q1081 VanDerWaalsContact C-N 3.25Å; R1079-Q1081 PolarHBondContact O-N 3.13Å
1082	T	67.4	Low	55.1	Low	102 Å²	102	111.9 Å²	111.9	63%	0.626	58%	0.58	S	S	*	*	H	α-helix	trans	-79.3	-35.7	175.4	52.3	0	0	0	0	113.5	T1078 R1079 G1084	T1078-T1082 PolarHBondContact O-N 2.86Å; T1078-T1082 PolarHBondContact O-OG1 2.93Å; R1079-T1082 WeakPolarHBondContact CA-OG1 3.42Å; R1079-T1082 PolarHBondContact O-N 2.87Å; R1079-T1082 PolarHBondContact O-OG1 3.22Å; T1082-G1084 PolarHBondContact O-N 2.9Å
1083	Y	45.2	Very low	52.9	Low	187 Å²	187	109 Å²	109	73%	0.733	58%	0.578	S	S	*	*	S	Bend	trans	-82.2	70.5	170.1	-70.6	-67.7	0	0	0	108.6	R1079	R1079-Y1083 HydrophobicContact CB-CD2 4.3Å; R1079-Y1083 WeakPolarHBondContact O-CB 3Å; R1079-Y1083 VanDerWaalsContact O-CD2 3.22Å; R1079-Y1083 WeakPolarHBondContact O-CD2 3.3Å; R1079-Y1083 PolarHBondContact O-N 3.04Å
1084	G	37.7	Very low	50.5	Low	51 Å²	51	109.1 Å²	109.1	53%	0.526	58%	0.579	S	S	.	*			trans	-62.3	134.7	-148.3	0	0	0	0	0	116.9	T1082 R1086	T1082-G1084 PolarHBondContact O-N 2.9Å; G1084-R1086 PolarHBondContact O-N 3.07Å
1085	F	35	Very low	48.3	Very low	181 Å²	181	113.4 Å²	113.4	79%	0.794	60%	0.595	S	S	*	*			trans	-69.1	67.9	157.3	-100.1	-91.4	0	0	0	111.8
1086	R	32.4	Very low	46	Very low	199 Å²	199	110.9 Å²	110.9	75%	0.751	59%	0.589	S	S	*	*			trans	-102	73	155.8	-89	-166	172.4	-155	2.5	108.5	G1084	G1084-R1086 PolarHBondContact O-N 3.07Å
1087	G	33.5	Very low	43.7	Very low	51 Å²	51	110.9 Å²	110.9	53%	0.526	59%	0.591	S	S	.	*			trans	-159.1	121.6	-177.7	0	0	0	0	0	112.3
1088	N	27.5	Very low	41.5	Very low	20 Å²	20	114.4 Å²	114.4	11%	0.107	61%	0.61	C	S	.	*			trans	-113.3	137.9	-178.9	-110.1	24.5	0	0	0	110.6	E1104 T1105 K1106	N1088-E1104 WeakPolarHBondContact CA-OE2 3.3Å; N1088-E1104 HydrophobicContact CB-CG 4.5Å; N1088-E1104 WeakPolarHBondContact CB-OE2 3.25Å; N1088-E1104 VanDerWaalsContact ND2-CB 3.28Å; N1088-E1104 WeakPolarHBondContact ND2-CB 3.5Å; N1088-E1104 PolarHBondContact ND2-O 2.76Å; N1088-E1104 PolarHBondContact ND2-OE2 3.24Å; N1088-E1104 VanDerWaalsContact OD1-CA 3.23Å; N1088-E1104 WeakPolarHBondContact OD1-CA 3.47Å; N1088-E1104 VanDerWaalsContact OD1-CB 3.29Å; N1088-E1104 WeakPolarHBondContact OD1-CB 3.41Å; N1088-E1104 VanDerWaalsContact OD1-CG 3.25Å; N1088-E1104 WeakPolarHBondContact OD1-CG 3.27Å; N1088-E1104 PolarHBondContact OD1-OE2 2.98Å; N1088-T1105 PolarHBondContact ND2-N 3.2Å; N1088-T1105 PolarHBondContact ND2-O 3.35Å; N1088-T1105 VanDerWaalsContact OD1-C 3.23Å; N1088-T1105 PolarHBondContact OD1-N 3.44Å; N1088-T1105 PolarHBondContact OD1-O 2.84Å; N1088-T1105 VanDerWaalsContact OD1-O 3.07Å; N1088-K1106 HydrophobicContact CB-CB 3.97Å; N1088-K1106 HydrophobicContact CB-CD 3.58Å; N1088-K1106 HydrophobicContact CB-CG 3.67Å; N1088-K1106 WeakPolarHBondContact ND2-CA 3.32Å; N1088-K1106 VanDerWaalsContact ND2-CB 3.33Å; N1088-K1106 WeakPolarHBondContact ND2-CB 3.33Å; N1088-K1106 PolarHBondContact ND2-N 2.8Å; N1088-K1106 WeakPolarHBondContact O-CE 3.47Å; N1088-K1106 PolarHBondContact O-NZ 3.48Å
1089	L	36.1	Very low	39.4	Very low	160 Å²	160	113.7 Å²	113.7	84%	0.838	60%	0.603	S	S	*	*			trans	-128.1	37.3	178.7	-87.1	166.2	0	0	0	113.9	G1091 E1104	L1089-G1091 PolarHBondContact O-N 3.23Å; L1089-E1104 WeakPolarHBondContact CA-OE1 3.33Å; L1089-E1104 PolarHBondContact N-OE1 2.97Å; L1089-E1104 PolarHBondContact N-OE2 3.22Å
1090	M	28.6	Very low	37.6	Very low	149 Å²	149	113.4 Å²	113.4	73%	0.734	60%	0.602	S	S	*	*			trans	-51.7	119.3	169.5	-159.1	176.6	-166	0	0	112.2	E1104	M1090-E1104 WeakPolarHBondContact CA-OE2 3.34Å; M1090-E1104 VanDerWaalsContact CB-OE2 3.27Å; M1090-E1104 WeakPolarHBondContact CB-OE2 3.41Å; M1090-E1104 PolarHBondContact N-OE1 2.77Å; M1090-E1104 PolarHBondContact N-OE2 3.45Å
1091	G	32.3	Very low	35.6	Very low	56 Å²	56	115.4 Å²	115.4	58%	0.577	61%	0.609	S	S	*	*			trans	156.9	60	179.9	0	0	0	0	0	113.5	L1089	L1089-G1091 PolarHBondContact O-N 3.23Å
1092	T	33.7	Very low	33.9	Very low	115 Å²	115	112.8 Å²	112.8	71%	0.706	61%	0.611	S	S	*	*				55.7	133.9	98.8	67.2	0	0	0	0	117
1093	N	32.7	Very low	31.9	Very low	116 Å²	116	112.3 Å²	112.3	62%	0.62	61%	0.612	S	S	*	*			cis	-174.5	154.5	-15.6	-108.5	-1.9	0	0	0	107.3
1094	S	32	Very low	31.2	Very low	73 Å²	73	107 Å²	107	51%	0.51	59%	0.594	S	S	.	*			cis	176.6	126.3	-22.2	48.4	0	0	0	0	107.9
1095	L	31.8	Very low	30.7	Very low	133 Å²	133	109.9 Å²	109.9	70%	0.696	60%	0.601	S	S	*	*	S	Bend	trans	-93.6	104.3	162.3	-86.6	-175.4	0	0	0	111.1	L1227	L1095-L1227 WeakPolarHBondContact CD2-O 3.31Å
1096	V	36	Very low	30.5	Very low	64 Å²	64	107.4 Å²	107.4	39%	0.388	59%	0.59	S	S	.	*			trans	42.4	106.4	142.8	-172.6	0	0	0	0	118.5
1097	N	30.3	Very low	30.2	Very low	106 Å²	106	103 Å²	103	57%	0.567	58%	0.581	S	S	*	*	S	Bend	trans	38.5	132	142.8	-60.4	-12	0	0	0	120.3	W1100	N1097-W1100 PolarHBondContact OD1-NE1 3.14Å
1098	L	30.8	Very low	29.9	Very low	175 Å²	175	106.6 Å²	106.6	92%	0.916	59%	0.592	S	S	*	*	S	Bend	cis	-111.8	70.7	26.3	-74	168	0	0	0	114.3
1099	N	29.5	Very low	30	Very low	64 Å²	64	111.2 Å²	111.2	34%	0.342	62%	0.622	S	S	.	*			trans	-61.3	168.1	140.5	-152.4	19	0	0	0	108.5	H1101	N1099-H1101 PolarHBondContact ND2-CD2 3.37Å; N1099-H1101 PolarHBondContact ND2-CE1 3.08Å; N1099-H1101 PolarHBondContact ND2-NE2 2.7Å; N1099-H1101 PolarHBondContact OD1-CE1 2.83Å; N1099-H1101 PolarHBondContact OD1-ND1 3.34Å; N1099-H1101 VanDerWaalsContact OD1-ND1 3.11Å; N1099-H1101 PolarHBondContact OD1-NE2 3.44Å
1100	W	29.2	Very low	30	Very low	153 Å²	153	108.6 Å²	108.6	58%	0.58	61%	0.614	S	S	*	*			cis	-157.5	151.7	29.7	-50.1	66.7	0	0	0	107.5	N1097	N1097-W1100 PolarHBondContact OD1-NE1 3.14Å
1101	H	26.6	Very low	30.1	Very low	130 Å²	130	110 Å²	110	60%	0.602	62%	0.619	S	S	*	*			cis	-164	141.3	-19.5	-113.8	-47.2	0	0	0	107.6	N1099	N1099-H1101 PolarHBondContact ND2-CD2 3.37Å; N1099-H1101 PolarHBondContact ND2-CE1 3.08Å; N1099-H1101 PolarHBondContact ND2-NE2 2.7Å; N1099-H1101 PolarHBondContact OD1-CE1 2.83Å; N1099-H1101 PolarHBondContact OD1-ND1 3.34Å; N1099-H1101 VanDerWaalsContact OD1-ND1 3.11Å; N1099-H1101 PolarHBondContact OD1-NE2 3.44Å
1102	A	24	Very low	30.1	Very low	83 Å²	83	114.7 Å²	114.7	69%	0.686	62%	0.623	S	S	*	*				-92	153.4	124.4	0	0	0	0	0	106.3
1103	S	25.4	Very low	29.9	Very low	93 Å²	93	113.8 Å²	113.8	65%	0.65	61%	0.611	S	S	*	*			cis	-134.3	-151.5	16.4	29.3	0	0	0	0	110.9
1104	E	30.1	Very low	29.7	Very low	76 Å²	76	117.2 Å²	117.2	36%	0.355	62%	0.621	S	S	.	*				-180	119.6	65.2	-103.1	-143.3	-167.7	0	0	113.6	N1088 L1089 M1090	N1088-E1104 WeakPolarHBondContact CA-OE2 3.3Å; N1088-E1104 HydrophobicContact CB-CG 4.5Å; N1088-E1104 WeakPolarHBondContact CB-OE2 3.25Å; N1088-E1104 VanDerWaalsContact ND2-CB 3.28Å; N1088-E1104 WeakPolarHBondContact ND2-CB 3.5Å; N1088-E1104 PolarHBondContact ND2-O 2.76Å; N1088-E1104 PolarHBondContact ND2-OE2 3.24Å; N1088-E1104 VanDerWaalsContact OD1-CA 3.23Å; N1088-E1104 WeakPolarHBondContact OD1-CA 3.47Å; N1088-E1104 VanDerWaalsContact OD1-CB 3.29Å; N1088-E1104 WeakPolarHBondContact OD1-CB 3.41Å; N1088-E1104 VanDerWaalsContact OD1-CG 3.25Å; N1088-E1104 WeakPolarHBondContact OD1-CG 3.27Å; N1088-E1104 PolarHBondContact OD1-OE2 2.98Å; L1089-E1104 WeakPolarHBondContact CA-OE1 3.33Å; L1089-E1104 PolarHBondContact N-OE1 2.97Å; L1089-E1104 PolarHBondContact N-OE2 3.22Å; M1090-E1104 WeakPolarHBondContact CA-OE2 3.34Å; M1090-E1104 VanDerWaalsContact CB-OE2 3.27Å; M1090-E1104 WeakPolarHBondContact CB-OE2 3.41Å; M1090-E1104 PolarHBondContact N-OE1 2.77Å; M1090-E1104 PolarHBondContact N-OE2 3.45Å
1105	T	27.3	Very low	29.7	Very low	110 Å²	110	120.5 Å²	120.5	68%	0.675	63%	0.626	S	S	*	*			trans	-96.2	106.1	174.2	49.6	0	0	0	0	114.1	N1088	N1088-T1105 PolarHBondContact ND2-N 3.2Å; N1088-T1105 PolarHBondContact ND2-O 3.35Å; N1088-T1105 VanDerWaalsContact OD1-C 3.23Å; N1088-T1105 PolarHBondContact OD1-N 3.44Å; N1088-T1105 PolarHBondContact OD1-O 2.84Å; N1088-T1105 VanDerWaalsContact OD1-O 3.07Å
1106	K	30.5	Very low	29.7	Very low	130 Å²	130	121.3 Å²	121.3	57%	0.565	63%	0.626	S	S	*	*			trans	-100.1	118.2	179.9	-143.4	142.1	-154.4	162.2	0	111.2	N1088	N1088-K1106 HydrophobicContact CB-CB 3.97Å; N1088-K1106 HydrophobicContact CB-CD 3.58Å; N1088-K1106 HydrophobicContact CB-CG 3.67Å; N1088-K1106 WeakPolarHBondContact ND2-CA 3.32Å; N1088-K1106 VanDerWaalsContact ND2-CB 3.33Å; N1088-K1106 WeakPolarHBondContact ND2-CB 3.33Å; N1088-K1106 PolarHBondContact ND2-N 2.8Å; N1088-K1106 WeakPolarHBondContact O-CE 3.47Å; N1088-K1106 PolarHBondContact O-NZ 3.48Å
1107	L	26.3	Very low	29.5	Very low	107 Å²	107	124.6 Å²	124.6	56%	0.56	64%	0.642	S	S	*	*			trans	-146.5	92.2	176.9	-143.1	-177.8	0	0	0	110.4	T1109	L1107-T1109 HydrophobicContact CD2-CG2 4.41Å
1108	T	28.1	Very low	29.7	Very low	125 Å²	125	126.6 Å²	126.6	77%	0.767	65%	0.652	S	S	*	*			trans	-139.1	109.3	169.9	46.9	0	0	0	0	109.8
1109	T	28.1	Very low	29.8	Very low	117 Å²	117	125.4 Å²	125.4	72%	0.718	64%	0.642	S	S	*	*			trans	-92.4	177.7	169.2	45.9	0	0	0	0	110.2	L1107	L1107-T1109 HydrophobicContact CD2-CG2 4.41Å
1110	P	37.3	Very low	29.9	Very low	106 Å²	106	134.4 Å²	134.4	69%	0.688	67%	0.671	S	S	*	*			cis	-135.4	-178.5	-39.6	35.9	-17.6	0	0	0	113.8
1111	H	29.4	Very low	30.2	Very low	177 Å²	177	131 Å²	131	82%	0.819	67%	0.668	S	S	*	*			trans	45.2	111.7	155.6	-81.1	-83.6	0	0	0	122.7
1112	K	32.5	Very low	30.6	Very low	156 Å²	156	132.2 Å²	132.2	68%	0.678	68%	0.677	S	S	*	*				15.1	152.3	122.3	-94.5	169.4	149.7	-79.1	0	119.6
1113	E	29.7	Very low	30.9	Very low	96 Å²	96	132.2 Å²	132.2	45%	0.449	67%	0.672	S	S	.	*			cis	-102.9	-156.9	14.4	-70.5	-61.8	-15.6	0	0	112.8
1114	F	30	Very low	31.4	Very low	188 Å²	188	132 Å²	132	83%	0.825	67%	0.667	S	S	*	*			cis	-141.4	146.6	16.6	-72.1	-86.2	0	0	0	110
1115	F	31.8	Very low	31.6	Very low	141 Å²	141	131.7 Å²	131.7	62%	0.618	68%	0.677	S	S	*	*				61.3	119.9	69.7	-77.6	-103.2	0	0	0	114
1116	E	30.1	Very low	31.9	Very low	150 Å²	150	135.6 Å²	135.6	70%	0.701	69%	0.687	S	S	*	*			cis	-158.5	-177.5	-1.5	-149.1	168.8	-160.4	0	0	111.5
1117	N	32.5	Very low	32.1	Very low	134 Å²	134	135.4 Å²	135.4	72%	0.717	68%	0.683	S	S	*	*			trans	76.1	135.5	174.7	-53.1	-14.9	0	0	0	116.7
1118	D	34.2	Very low	32.4	Very low	147 Å²	147	135.9 Å²	135.9	79%	0.786	69%	0.686	S	S	*	*			cis	-152.7	157.3	-7.2	-133.4	-33.2	0	0	0	112.8
1119	E	33.3	Very low	32.6	Very low	151 Å²	151	136.5 Å²	136.5	71%	0.706	68%	0.683	S	S	*	*			trans	-84	164.9	-176.5	-61.1	-167.1	137.5	0	0	113.8	T1121	E1119-T1121 HydrophobicContact CB-CG2 4.21Å; E1119-T1121 WeakPolarHBondContact OE2-CG2 3.45Å
1120	R	32.4	Very low	33	Very low	252 Å²	252	135.9 Å²	135.9	95%	0.951	68%	0.681	S	S	*	*			trans	-133.6	111.5	153.7	-171.4	171.8	-69.6	-178.6	0.7	110.7
1121	T	34.9	Very low	33.1	Very low	83 Å²	83	136.3 Å²	136.3	51%	0.509	68%	0.682	S	S	.	*			trans	-123	152.3	-156.9	17.9	0	0	0	0	114.2	E1119	E1119-T1121 HydrophobicContact CB-CG2 4.21Å; E1119-T1121 WeakPolarHBondContact OE2-CG2 3.45Å
1122	I	34	Very low	33.1	Very low	154 Å²	154	132.3 Å²	132.3	79%	0.79	67%	0.674	S	S	*	*			trans	58.5	122.3	142.8	-59.9	162.9	0	0	0	119.2
1123	S	30.5	Very low	33.6	Very low	83 Å²	83	130.2 Å²	130.2	58%	0.58	67%	0.67	S	S	*	*				174.1	166.9	110.7	58.8	0	0	0	0	109.2
1124	T	36	Very low	34.2	Very low	90 Å²	90	134.3 Å²	134.3	55%	0.552	69%	0.694	S	S	*	*			cis	-137.8	175.7	10.9	43.7	0	0	0	0	109.7	D1149	T1124-D1149 WeakPolarHBondContact CG2-OD1 3.28Å; T1124-D1149 PolarHBondContact OG1-OD1 2.86Å
1125	A	35.1	Very low	34.3	Very low	69 Å²	69	131.2 Å²	131.2	57%	0.57	68%	0.682	S	S	*	*			cis	-168	154.1	-37.3	0	0	0	0	0	109.4
1126	H	33.4	Very low	34.3	Very low	191 Å²	191	130.7 Å²	130.7	88%	0.884	68%	0.683	S	S	*	*			trans	-159.3	79.3	139.8	-120.3	-64.6	0	0	0	114.9
1127	R	33.6	Very low	34.4	Very low	126 Å²	126	129.4 Å²	129.4	48%	0.475	68%	0.681	S	S	.	*			trans	-11.8	143.9	135.2	-79.2	173.7	161.5	164.5	-16.1	114.1	E1145 E1146	R1127-E1145 IonicContact CZ-OE1 3.56Å; R1127-E1145 IonicContact NE-OE1 3.35Å; R1127-E1145 IonicContact NH2-OE1 3.04Å; R1127-E1145 PolarHBondContact NH2-OE1 2.72Å; R1127-E1145 IonicContact NH2-OE2 3.8Å; R1127-E1146 IonicContact CZ-OE1 3.09Å; R1127-E1146 VanDerWaalsContact CZ-OE1 3.22Å; R1127-E1146 IonicContact NH1-OE1 3.22Å; R1127-E1146 PolarHBondContact NH1-OE1 2.92Å; R1127-E1146 IonicContact NH2-OE1 3.83Å; R1127-E1146 PolarHBondContact NH2-OE1 3.38Å
1128	N	33.2	Very low	34.6	Very low	117 Å²	117	131.2 Å²	131.2	63%	0.626	68%	0.682	S	S	*	*			cis	-175.3	153.1	27	-119.4	-9.1	0	0	0	115.1
1129	I	32.7	Very low	34.7	Very low	138 Å²	138	128 Å²	128	71%	0.708	67%	0.667	S	S	*	*			trans	55.3	128.1	132.1	-66.5	171.1	0	0	0	119
1130	P	37.2	Very low	35	Very low	104 Å²	104	128.1 Å²	128.1	68%	0.675	67%	0.672	S	S	*	*				-153.6	154.2	68	41.5	-21.8	0	0	0	121
1131	T	39.1	Very low	35.2	Very low	115 Å²	115	122 Å²	122	71%	0.706	65%	0.654	S	S	*	*			trans	50.3	117.1	147.1	56.8	0	0	0	0	119.5
1132	S	28.1	Very low	34.9	Very low	94 Å²	94	125 Å²	125	66%	0.657	67%	0.666	S	S	*	*				73.2	144.9	53.5	87.6	0	0	0	0	115.7
1133	N	44.6	Very low	34.9	Very low	111 Å²	111	124 Å²	124	59%	0.594	66%	0.662	S	S	*	*			trans	68.9	128.8	-164.5	-37.3	-85.2	0	0	0	112.4	Q1135	N1133-Q1135 PolarHBondContact OD1-NE2 2.85Å; N1133-Q1135 VanDerWaalsContact OD1-NE2 3.15Å
1134	I	40.5	Very low	34.9	Very low	183 Å²	183	124.7 Å²	124.7	94%	0.938	67%	0.666	S	S	*	*	S	Bend	cis	-77.8	162.4	3.8	-64.8	167.4	0	0	0	111.6
1135	Q	33.7	Very low	34.7	Very low	122 Å²	122	126.2 Å²	126.2	57%	0.57	67%	0.667	S	S	*	*				-155.4	158.8	-114.5	-160.5	-169	27.2	0	0	110.5	N1133	N1133-Q1135 PolarHBondContact OD1-NE2 2.85Å; N1133-Q1135 VanDerWaalsContact OD1-NE2 3.15Å
1136	M	32.1	Very low	34.7	Very low	131 Å²	131	127.9 Å²	127.9	65%	0.645	66%	0.663	S	S	*	*			trans	75.5	100.7	164.2	-58.9	-147.9	-174.1	0	0	117.5
1137	N	30.9	Very low	35	Very low	123 Å²	123	126.5 Å²	126.5	66%	0.658	66%	0.655	S	S	*	*				82.2	133.4	115.6	-68.6	-28.6	0	0	0	118
1138	K	37	Very low	35.3	Very low	172 Å²	172	125.7 Å²	125.7	75%	0.748	66%	0.656	S	S	*	*			cis	-143.3	131.4	7.5	-113.9	176.6	173.1	-163.7	0	109.2
1139	V	36.2	Very low	35.6	Very low	78 Å²	78	124.1 Å²	124.1	47%	0.473	65%	0.648	S	S	.	*				63.2	123.5	94.7	168.8	0	0	0	0	110.4	E1141	V1139-E1141 HydrophobicContact CB-CG 4.41Å; V1139-E1141 HydrophobicContact CG1-CG 3.95Å; V1139-E1141 HydrophobicContact CG2-CG 4.05Å
1140	I	40.1	Very low	36.1	Very low	155 Å²	155	125.9 Å²	125.9	80%	0.795	65%	0.651	S	S	*	*			cis	-104.2	113.8	36.1	-65.4	170.1	0	0	0	109.8
1141	E	36.6	Very low	36.1	Very low	123 Å²	123	127.8 Å²	127.8	58%	0.575	66%	0.655	S	S	*	*				64	100.8	84.1	-73.9	164.7	173	0	0	110.7	V1139	V1139-E1141 HydrophobicContact CB-CG 4.41Å; V1139-E1141 HydrophobicContact CG1-CG 3.95Å; V1139-E1141 HydrophobicContact CG2-CG 4.05Å
1142	L	28.9	Very low	36.2	Very low	147 Å²	147	125.5 Å²	125.5	77%	0.77	66%	0.655	S	S	*	*				74.1	155	61.5	-67.6	170.5	0	0	0	114
1143	D	33.8	Very low	36.5	Very low	131 Å²	131	128.3 Å²	128.3	70%	0.701	66%	0.662	S	S	*	*			trans	75.2	116.2	160.9	-61.2	-21.6	0	0	0	115.6
1144	C	31	Very low	36.3	Very low	99 Å²	99	128.8 Å²	128.8	67%	0.669	67%	0.674	S	S	*	*				73.8	144.4	63.6	-67.9	0	0	0	0	111.2
1145	E	31.6	Very low	35.8	Very low	121 Å²	121	127.2 Å²	127.2	57%	0.565	67%	0.667	S	S	*	*			cis	-162	163.5	2.1	-122.8	163.3	166.8	0	0	107.9	R1127	R1127-E1145 IonicContact CZ-OE1 3.56Å; R1127-E1145 IonicContact NE-OE1 3.35Å; R1127-E1145 IonicContact NH2-OE1 3.04Å; R1127-E1145 PolarHBondContact NH2-OE1 2.72Å; R1127-E1145 IonicContact NH2-OE2 3.8Å
1146	E	35.1	Very low	35.7	Very low	104 Å²	104	129.8 Å²	129.8	49%	0.486	68%	0.679	S	S	.	*			trans	66.7	150.8	160.9	-67.4	152.9	-179.5	0	0	114.3	R1127	R1127-E1146 IonicContact CZ-OE1 3.09Å; R1127-E1146 VanDerWaalsContact CZ-OE1 3.22Å; R1127-E1146 IonicContact NH1-OE1 3.22Å; R1127-E1146 PolarHBondContact NH1-OE1 2.92Å; R1127-E1146 IonicContact NH2-OE1 3.83Å; R1127-E1146 PolarHBondContact NH2-OE1 3.38Å
1147	F	38.9	Very low	35.8	Very low	163 Å²	163	130.3 Å²	130.3	72%	0.715	68%	0.68	S	S	*	*			cis	-111.3	142	26.3	-78.1	-99.8	0	0	0	110.9
1148	E	40.3	Very low	36	Very low	109 Å²	109	131.7 Å²	131.7	51%	0.509	68%	0.68	S	S	.	*				55.6	139.1	69.3	-62	-171.8	171.8	0	0	112.2
1149	D	39.8	Very low	35.8	Very low	84 Å²	84	130.4 Å²	130.4	45%	0.449	68%	0.681	S	S	.	*			cis	-170.8	-164.3	-13.5	-107.7	-13.2	0	0	0	106.5	T1124	T1124-D1149 WeakPolarHBondContact CG2-OD1 3.28Å; T1124-D1149 PolarHBondContact OG1-OD1 2.86Å
1150	F	42.5	Very low	35.4	Very low	175 Å²	175	135.2 Å²	135.2	77%	0.768	70%	0.701	S	S	*	*			trans	75.2	95.9	167.9	-72.9	-89.6	0	0	0	115.6
1151	D	37.7	Very low	35.1	Very low	144 Å²	144	132.8 Å²	132.8	77%	0.77	70%	0.695	S	S	*	*				65.7	148.3	61.9	-60.9	-49.4	0	0	0	114.4
1152	G	41.7	Very low	35	Very low	67 Å²	67	136.1 Å²	136.1	69%	0.691	71%	0.708	S	S	*	*			trans	147.9	69.9	152.7	0	0	0	0	0	116.6
1153	D	33.5	Very low	35.2	Very low	153 Å²	153	136.7 Å²	136.7	82%	0.818	71%	0.707	S	S	*	*			trans	39.6	134.3	137.4	-56.6	-23.5	0	0	0	119.4
1154	S	41.1	Very low	35.2	Very low	120 Å²	120	138.5 Å²	138.5	84%	0.839	72%	0.715	S	S	*	*				-163.2	150.2	63.2	-60.5	0	0	0	0	114.5
1155	L	29.9	Very low	35.3	Very low	150 Å²	150	136.5 Å²	136.5	79%	0.785	71%	0.711	S	S	*	*			trans	-87.6	161.4	172.8	-84.4	153.1	0	0	0	113.1
1156	E	30.8	Very low	35.7	Very low	177 Å²	177	136.7 Å²	136.7	83%	0.827	72%	0.716	S	S	*	*			trans	65.4	171.3	153.9	-69.6	171	130.7	0	0	115.6
1157	E	35.5	Very low	36	Very low	142 Å²	142	136.4 Å²	136.4	66%	0.664	72%	0.721	S	S	*	*			cis	-157.7	168.9	25.5	-156.3	179.9	-179.2	0	0	112.1
1158	F	33.5	Very low	36	Very low	152 Å²	152	134.8 Å²	134.8	67%	0.667	71%	0.711	S	S	*	*			trans	76.1	109.7	158	-66.3	-52.5	0	0	0	124.5
1159	N	34.4	Very low	36	Very low	145 Å²	145	131.3 Å²	131.3	78%	0.775	70%	0.696	S	S	*	*				56.8	112.7	121	-68.8	-19	0	0	0	122.7
1160	M	26.3	Very low	35.9	Very low	178 Å²	178	129.6 Å²	129.6	88%	0.877	69%	0.689	S	S	*	*			trans	-58.4	168.8	140.5	-78.9	-156.8	-68.3	0	0	112.8
1161	P	34.3	Very low	35.7	Very low	104 Å²	104	126.1 Å²	126.1	68%	0.675	69%	0.686	S	S	*	*			cis	-132.9	170.3	6.9	41.4	-26.7	0	0	0	116
1162	F	35.1	Very low	35.7	Very low	193 Å²	193	129.4 Å²	129.4	85%	0.846	69%	0.688	S	S	*	*			trans	-166.2	117.9	135.8	-102.1	-65	0	0	0	113.8
1163	E	32.2	Very low	35.5	Very low	160 Å²	160	132.6 Å²	132.6	75%	0.748	69%	0.685	S	S	*	*			trans	8.2	124.6	159.4	-65.1	-179.5	134.6	0	0	123.8
1164	I	34	Very low	35.6	Very low	169 Å²	169	132.7 Å²	132.7	87%	0.867	68%	0.683	S	S	*	*			trans	86.5	96.3	144.6	-56.9	157.6	0	0	0	118.3
1165	G	34.2	Very low	35.2	Very low	57 Å²	57	135.1 Å²	135.1	59%	0.588	69%	0.685	S	S	*	*			trans	-174.2	179.2	175.2	0	0	0	0	0	112.4
1166	N	39.1	Very low	35.3	Very low	125 Å²	125	131.5 Å²	131.5	67%	0.668	68%	0.677	S	S	*	*			trans	-154.7	148.4	-163.1	-83.1	97.9	0	0	0	115.2
1167	T	41.3	Very low	35.2	Very low	97 Å²	97	130.9 Å²	130.9	60%	0.595	68%	0.68	S	S	*	*			cis	-174.6	110.1	-29.5	27.7	0	0	0	0	114.4
1168	Y	39.3	Very low	35.3	Very low	129 Å²	129	133.3 Å²	133.3	51%	0.506	69%	0.691	S	S	.	*			trans	68.6	92.6	140.7	-66.9	-94.3	0	0	0	126.2	K1206 S1207	Y1168-K1206 HydrophobicContact CD1-CB 4.27Å; Y1168-K1206 PolarHBondContact O-NZ 2.78Å; Y1168-S1207 VanDerWaalsContact CE1-CB 3.43Å
1169	N	39.9	Very low	35.5	Very low	36 Å²	36	132.8 Å²	132.8	19%	0.193	70%	0.7	C	S	.	*				108.1	160.7	93.2	-101.8	-73.3	0	0	0	132.4	K1206 S1207 D1208	N1169-K1206 VanDerWaalsContact C-CE 3.46Å; N1169-K1206 HydrophobicContact CB-CB 3.46Å; N1169-K1206 VanDerWaalsContact CB-CB 3.46Å; N1169-K1206 HydrophobicContact CB-CD 3.36Å; N1169-K1206 HydrophobicContact CB-CG 3.51Å; N1169-K1206 WeakPolarHBondContact O-CE 3.05Å; N1169-K1206 PolarHBondContact O-NZ 3.46Å; N1169-S1207 VanDerWaalsContact CG-CB 3.42Å; N1169-S1207 WeakPolarHBondContact ND2-CA 3.14Å; N1169-S1207 WeakPolarHBondContact ND2-CB 3.44Å; N1169-S1207 VanDerWaalsContact OD1-C 3.3Å; N1169-S1207 WeakPolarHBondContact OD1-CA 3.25Å; N1169-D1208 VanDerWaalsContact CA-OD2 3.27Å; N1169-D1208 WeakPolarHBondContact CA-OD2 3.24Å; N1169-D1208 VanDerWaalsContact CG-N 3.33Å; N1169-D1208 PolarHBondContact N-OD2 2.79Å; N1169-D1208 VanDerWaalsContact ND2-CB 3.35Å; N1169-D1208 WeakPolarHBondContact ND2-CB 3.21Å; N1169-D1208 PolarHBondContact ND2-N 2.82Å; N1169-D1208 PolarHBondContact ND2-OD2 3.03Å; N1169-D1208 WeakPolarHBondContact OD1-CB 3.32Å; N1169-D1208 PolarHBondContact OD1-N 2.83Å; N1169-D1208 PolarHBondContact OD1-OD1 3.32Å; N1169-D1208 PolarHBondContact OD1-OD2 2.89Å
1170	T	38.7	Very low	35.6	Very low	48 Å²	48	135.5 Å²	135.5	29%	0.294	71%	0.708	S	S	.	*			trans	-130.9	-162.3	-160.4	54.9	0	0	0	0	116.6	D1208 K1218	T1170-D1208 VanDerWaalsContact CG2-OD1 3.23Å; T1170-D1208 WeakPolarHBondContact CG2-OD1 3.37Å; T1170-D1208 PolarHBondContact OG1-OD1 3.18Å; T1170-K1218 HydrophobicContact CG2-CD 3.9Å; T1170-K1218 VanDerWaalsContact CG2-NZ 3.33Å
1171	S	36.3	Very low	36	Very low	102 Å²	102	133.2 Å²	133.2	71%	0.713	71%	0.709	S	S	*	*				-173.3	-175.9	-52.2	-68	0	0	0	0	114.2
1172	R	38.8	Very low	36.2	Very low	214 Å²	214	131.7 Å²	131.7	81%	0.808	71%	0.712	S	S	*	*			trans	98.2	165.2	171.6	-51.8	-169.9	71.5	162.5	-6.7	118.7
1173	E	38.4	Very low	36.2	Very low	134 Å²	134	127.4 Å²	127.4	63%	0.626	71%	0.706	S	S	*	*			cis	-157.7	-161	17.4	-153.7	71.3	96.1	0	0	115.3
1174	I	33.6	Very low	36.3	Very low	154 Å²	154	126.4 Å²	126.4	79%	0.79	71%	0.71	S	S	*	*			trans	-145	157.8	-169.8	-57.8	164.9	0	0	0	115.4
1175	I	33	Very low	36.3	Very low	171 Å²	171	124 Å²	124	88%	0.877	69%	0.691	S	S	*	*			trans	167	163.1	135.8	-84.2	168.8	0	0	0	114.1
1176	A	32.5	Very low	36	Very low	75 Å²	75	126.5 Å²	126.5	62%	0.62	70%	0.697	S	S	*	*			trans	-122.6	175.2	-148.5	0	0	0	0	0	119.6
1177	D	30	Very low	35.3	Very low	164 Å²	164	125 Å²	125	88%	0.877	70%	0.695	S	S	*	*			trans	65.9	171.4	147.5	-58	-10	0	0	0	124.5
1178	E	37.2	Very low	34.8	Very low	193 Å²	193	124.7 Å²	124.7	90%	0.902	70%	0.698	S	S	*	*			trans	-96.2	-174.7	-153	-55.6	-166.6	141.4	0	0	116.2
1179	T	36.2	Very low	34.4	Very low	141 Å²	141	126.5 Å²	126.5	87%	0.865	71%	0.714	S	S	*	*			trans	-118.3	142.7	-162.8	56.1	0	0	0	0	115.7
1180	E	36.5	Very low	34.1	Very low	202 Å²	202	129.1 Å²	129.1	94%	0.944	73%	0.733	S	S	*	*			trans	-112.3	-174.8	168.2	-144.1	-176.3	-160.3	0	0	112.9
1181	C	35.6	Very low	33.7	Very low	130 Å²	130	134.6 Å²	134.6	88%	0.878	76%	0.756	S	S	*	*			trans	-94.7	158.7	-155.2	-164.8	0	0	0	0	115.7
1182	G	38.9	Very low	33.2	Very low	72 Å²	72	136.8 Å²	136.8	74%	0.742	76%	0.758	S	S	*	*			trans	-175.9	132.5	172.5	0	0	0	0	0	113.5
1183	S	34.2	Very low	32.6	Very low	103 Å²	103	133.2 Å²	133.2	72%	0.72	76%	0.759	S	S	*	*			trans	-92.3	176.1	-169.8	-167.8	0	0	0	0	114.9
1184	T	35.4	Very low	32.1	Very low	138 Å²	138	130.4 Å²	130.4	85%	0.847	76%	0.759	S	S	*	*			trans	84.6	123.1	173.6	66	0	0	0	0	119
1185	R	32.5	Very low	32.1	Very low	119 Å²	119	128.4 Å²	128.4	45%	0.449	75%	0.754	S	S	.	*			trans	-78.2	164	178.6	-126.7	154.6	152	-121.3	-2.9	110.2	E557	E557-R1185 VanDerWaalsContact CD-NH2 3.31Å; E557-R1185 IonicContact OE1-CZ 3.3Å; E557-R1185 IonicContact OE1-NH1 3.32Å; E557-R1185 PolarHBondContact OE1-NH1 2.85Å; E557-R1185 IonicContact OE1-NH2 2.7Å; E557-R1185 PolarHBondContact OE1-NH2 3.06Å; E557-R1185 IonicContact OE2-CZ 3.22Å; E557-R1185 IonicContact OE2-NH1 2.72Å; E557-R1185 PolarHBondContact OE2-NH1 3.04Å; E557-R1185 IonicContact OE2-NH2 2.77Å; E557-R1185 PolarHBondContact OE2-NH2 3.18Å
1186	P	29.5	Very low	32	Very low	110 Å²	110	126.2 Å²	126.2	71%	0.714	74%	0.744	S	S	*	*				-136.4	174.9	65.7	42.5	-29.8	0	0	0	114.9
1187	S	24.3	Very low	32.1	Very low	92 Å²	92	129.9 Å²	129.9	64%	0.643	75%	0.749	S	S	*	*			trans	17.6	131.2	146.9	64.1	0	0	0	0	118.8
1188	S	31	Very low	32	Very low	92 Å²	92	127.4 Å²	127.4	64%	0.643	74%	0.739	S	S	*	*			cis	177.3	171.4	10.6	38.9	0	0	0	0	109	P1190	S1188-P1190 WeakPolarHBondContact O-CD 3.29Å
1189	I	30.7	Very low	32	Very low	166 Å²	166	126.3 Å²	126.3	85%	0.851	73%	0.732	S	S	*	*			trans	-66.3	122.7	149.7	-61	168.9	0	0	0	107.7
1190	P	33.4	Very low	31.6	Very low	91 Å²	91	125 Å²	125	59%	0.591	72%	0.72	S	S	*	*			trans	-126.4	132.9	135.7	36.1	-30.4	0	0	0	112.1	S1188	S1188-P1190 WeakPolarHBondContact O-CD 3.29Å
1191	E	30.6	Very low	31.8	Very low	164 Å²	164	124.4 Å²	124.4	77%	0.766	71%	0.71	S	S	*	*			trans	50.2	109.5	140	-57.2	-176.3	113.2	0	0	118.5
1192	I	24.5	Very low	31.4	Very low	147 Å²	147	124.4 Å²	124.4	75%	0.754	70%	0.701	S	S	*	*				59.2	114.9	68.7	-56.9	166.7	0	0	0	111.7
1193	V	26	Very low	31.1	Very low	139 Å²	139	126.2 Å²	126.2	84%	0.842	69%	0.694	S	S	*	*			trans	63.2	117.8	160	169.8	0	0	0	0	116.2
1194	A	28.1	Very low	31.1	Very low	76 Å²	76	128.7 Å²	128.7	63%	0.628	69%	0.694	S	S	*	*			cis	-158.7	-156.6	-8.4	0	0	0	0	0	107
1195	T	34.2	Very low	31.2	Very low	112 Å²	112	127.3 Å²	127.3	69%	0.687	68%	0.681	S	S	*	*			cis	-178.3	164.3	48.8	-22.2	0	0	0	0	109.6
1196	N	31.4	Very low	31.1	Very low	124 Å²	124	126.5 Å²	126.5	66%	0.663	68%	0.681	S	S	*	*			trans	17.1	130	132.7	-67.7	-24.3	0	0	0	117.5
1197	Q	34	Very low	31.2	Very low	152 Å²	152	124.2 Å²	124.2	71%	0.71	67%	0.667	S	S	*	*			cis	-161.9	148.9	22.4	-112.1	147.7	29.6	0	0	108.7
1198	V	27.6	Very low	31.6	Very low	113 Å²	113	123.1 Å²	123.1	69%	0.685	65%	0.654	S	S	*	*				53.8	140.1	93.5	-172.5	0	0	0	0	113.7
1199	F	37.7	Very low	32.2	Very low	170 Å²	170	124.9 Å²	124.9	75%	0.746	66%	0.655	S	S	*	*			trans	82.8	102.1	-163.9	-62.9	-86.4	0	0	0	111.8
1200	N	28.6	Very low	32.4	Very low	113 Å²	113	121.8 Å²	121.8	60%	0.604	64%	0.637	S	S	*	*				84.8	145.1	59.9	-75.9	-34.9	0	0	0	111.7
1201	Y	40	Very low	32.8	Very low	190 Å²	190	122 Å²	122	75%	0.745	64%	0.64	S	S	*	*			trans	70.8	98.6	-170.4	-51.5	-71.5	0	0	0	110.2
1202	D	26.7	Very low	33.4	Very low	129 Å²	129	119.6 Å²	119.6	69%	0.69	63%	0.629	S	S	*	*				55	148.2	51.8	-49.9	-63.3	0	0	0	113
1203	N	33.5	Very low	34.5	Very low	111 Å²	111	117.5 Å²	117.5	59%	0.594	63%	0.625	S	S	*	*			trans	85.8	118	169.7	-48.3	-69.2	0	0	0	113.1
1204	Q	32.7	Very low	35.5	Very low	155 Å²	155	112.6 Å²	112.6	72%	0.724	59%	0.593	S	S	*	*				86.1	144	94.1	-76.1	175.9	45.4	0	0	111.2
1205	L	38.9	Very low	36.5	Very low	108 Å²	108	113.9 Å²	113.9	57%	0.565	60%	0.598	S	S	*	*			cis	-147.4	163.6	0.5	-102.8	153.5	0	0	0	105
1206	K	30.2	Very low	36.8	Very low	103 Å²	103	117.1 Å²	117.1	45%	0.448	60%	0.603	S	S	.	*				33.1	132.4	92.6	-56.8	-179.2	146.8	-161.7	0	112.5	Y1168 N1169	Y1168-K1206 HydrophobicContact CD1-CB 4.27Å; Y1168-K1206 PolarHBondContact O-NZ 2.78Å; N1169-K1206 VanDerWaalsContact C-CE 3.46Å; N1169-K1206 HydrophobicContact CB-CB 3.46Å; N1169-K1206 VanDerWaalsContact CB-CB 3.46Å; N1169-K1206 HydrophobicContact CB-CD 3.36Å; N1169-K1206 HydrophobicContact CB-CG 3.51Å; N1169-K1206 WeakPolarHBondContact O-CE 3.05Å; N1169-K1206 PolarHBondContact O-NZ 3.46Å
1207	S	30.7	Very low	36.7	Very low	62 Å²	62	115.4 Å²	115.4	43%	0.434	60%	0.597	S	S	.	*				179.5	143.8	66.7	52.1	0	0	0	0	122.3	Y1168 N1169	Y1168-S1207 VanDerWaalsContact CE1-CB 3.43Å; N1169-S1207 VanDerWaalsContact CG-CB 3.42Å; N1169-S1207 WeakPolarHBondContact ND2-CA 3.14Å; N1169-S1207 WeakPolarHBondContact ND2-CB 3.44Å; N1169-S1207 VanDerWaalsContact OD1-C 3.3Å; N1169-S1207 WeakPolarHBondContact OD1-CA 3.25Å
1208	D	33.9	Very low	37.2	Very low	68 Å²	68	115.7 Å²	115.7	36%	0.364	60%	0.596	S	S	.	*			trans	5.7	-138.8	151.7	-59.1	-36.7	0	0	0	118	N1169 T1170	N1169-D1208 VanDerWaalsContact CA-OD2 3.27Å; N1169-D1208 WeakPolarHBondContact CA-OD2 3.24Å; N1169-D1208 VanDerWaalsContact CG-N 3.33Å; N1169-D1208 PolarHBondContact N-OD2 2.79Å; N1169-D1208 VanDerWaalsContact ND2-CB 3.35Å; N1169-D1208 WeakPolarHBondContact ND2-CB 3.21Å; N1169-D1208 PolarHBondContact ND2-N 2.82Å; N1169-D1208 PolarHBondContact ND2-OD2 3.03Å; N1169-D1208 WeakPolarHBondContact OD1-CB 3.32Å; N1169-D1208 PolarHBondContact OD1-N 2.83Å; N1169-D1208 PolarHBondContact OD1-OD1 3.32Å; N1169-D1208 PolarHBondContact OD1-OD2 2.89Å; T1170-D1208 VanDerWaalsContact CG2-OD1 3.23Å; T1170-D1208 WeakPolarHBondContact CG2-OD1 3.37Å; T1170-D1208 PolarHBondContact OG1-OD1 3.18Å
1209	I	42	Very low	37.4	Very low	129 Å²	129	118.3 Å²	118.3	66%	0.662	60%	0.601	S	S	*	*			cis	-136.7	146.5	29.4	-72	169.6	0	0	0	109
1210	E	36.5	Very low	37.3	Very low	101 Å²	101	119.7 Å²	119.7	47%	0.472	61%	0.61	S	S	.	*			cis	-113.6	-77.3	6.9	-162.6	151.6	-121.6	0	0	113.8
1211	C	41.6	Very low	37.4	Very low	97 Å²	97	119.8 Å²	119.8	66%	0.655	61%	0.609	S	S	*	*			cis	-171.9	143.6	-16	-179.2	0	0	0	0	109.9	D1214	C1211-D1214 VanDerWaalsContact C-OD1 3.29Å; C1211-D1214 WeakPolarHBondContact CA-OD1 3.35Å; C1211-D1214 PolarHBondContact N-OD1 3.4Å
1212	Q	42.5	Very low	37.1	Very low	113 Å²	113	115.7 Å²	115.7	53%	0.528	61%	0.608	S	S	.	*	S	Bend	cis	-153.5	136.8	-33.6	-104.2	-64.6	-86.4	0	0	108.1	D1214	Q1212-D1214 WeakPolarHBondContact CA-OD1 3.15Å; Q1212-D1214 PolarHBondContact N-OD1 2.75Å; Q1212-D1214 VanDerWaalsContact NE2-CG 3.26Å; Q1212-D1214 PolarHBondContact NE2-OD1 3.44Å; Q1212-D1214 PolarHBondContact NE2-OD2 2.79Å
1213	P	47.9	Very low	37.4	Very low	103 Å²	103	121.1 Å²	121.1	67%	0.669	62%	0.619	S	S	*	*	S	Bend	cis	-120	79.6	-10	37.1	-19.7	0	0	0	112.8
1214	D	45.9	Very low	37.1	Very low	35 Å²	35	118.8 Å²	118.8	19%	0.187	61%	0.611	C	S	.	*			cis	-139.2	42	-8.8	-70.5	-88.3	0	0	0	109	C1211 Q1212 F1216	C1211-D1214 VanDerWaalsContact C-OD1 3.29Å; C1211-D1214 WeakPolarHBondContact CA-OD1 3.35Å; C1211-D1214 PolarHBondContact N-OD1 3.4Å; Q1212-D1214 WeakPolarHBondContact CA-OD1 3.15Å; Q1212-D1214 PolarHBondContact N-OD1 2.75Å; Q1212-D1214 VanDerWaalsContact NE2-CG 3.26Å; Q1212-D1214 PolarHBondContact NE2-OD1 3.44Å; Q1212-D1214 PolarHBondContact NE2-OD2 2.79Å; D1214-F1216 PolarHBondContact O-N 2.85Å
1215	S	50.1	Low	37	Very low	104 Å²	104	119 Å²	119	73%	0.727	61%	0.612	S	S	*	*			trans	49.4	50.8	-179.8	59.8	0	0	0	0	115.1	T1217	S1215-T1217 VanDerWaalsContact O-CA 3.29Å; S1215-T1217 WeakPolarHBondContact O-CA 3.4Å; S1215-T1217 WeakPolarHBondContact O-CG2 3.38Å; S1215-T1217 PolarHBondContact O-N 2.73Å
1216	F	40	Very low	36.6	Very low	179 Å²	179	120.5 Å²	120.5	79%	0.785	62%	0.615	S	S	*	*			trans	-50.2	121.5	-173.2	-70.8	-92.9	0	0	0	115.4	D1214	D1214-F1216 PolarHBondContact O-N 2.85Å
1217	T	30.4	Very low	36.7	Very low	89 Å²	89	120.4 Å²	120.4	55%	0.546	62%	0.619	S	S	.	*			cis	-166.7	126.3	-48.2	20.8	0	0	0	0	110.4	S1215	S1215-T1217 VanDerWaalsContact O-CA 3.29Å; S1215-T1217 WeakPolarHBondContact O-CA 3.4Å; S1215-T1217 WeakPolarHBondContact O-CG2 3.38Å; S1215-T1217 PolarHBondContact O-N 2.73Å
1218	K	44.4	Very low	36.9	Very low	157 Å²	157	121.4 Å²	121.4	68%	0.683	62%	0.62	S	S	*	*			trans	45.7	75.9	141.4	-61.2	178.1	179.9	171.6	0	119.1	T1170	T1170-K1218 HydrophobicContact CG2-CD 3.9Å; T1170-K1218 VanDerWaalsContact CG2-NZ 3.33Å
1219	E	31.4	Very low	37.1	Very low	168 Å²	168	123.6 Å²	123.6	79%	0.785	63%	0.631	S	S	*	*	S	Bend	trans	-151.9	137.6	148.4	-159.6	154.7	-133.2	0	0	107.7	I1221	E1219-I1221 VanDerWaalsContact O-CG1 3.24Å; E1219-I1221 WeakPolarHBondContact O-CG1 3.4Å; E1219-I1221 PolarHBondContact O-N 3.16Å; E1219-I1221 VanDerWaalsContact O-N 3.16Å
1220	E	34.8	Very low	36.7	Very low	200 Å²	200	124.1 Å²	124.1	94%	0.935	63%	0.631	S	S	*	*	S	Bend	trans	42.8	47	171.9	-60.9	-171.2	121.8	0	0	119
1221	I	30.5	Very low	36.7	Very low	114 Å²	114	125.2 Å²	125.2	59%	0.585	64%	0.636	S	S	*	*			trans	-133.7	133.4	165.6	-23.7	-178.3	0	0	0	105.9	E1219 C1224	E1219-I1221 VanDerWaalsContact O-CG1 3.24Å; E1219-I1221 WeakPolarHBondContact O-CG1 3.4Å; E1219-I1221 PolarHBondContact O-N 3.16Å; E1219-I1221 VanDerWaalsContact O-N 3.16Å; I1221-C1224 HydrophobicContact CG2-CB 4.06Å; I1221-C1224 VanDerWaalsContact CG2-SG 3.53Å
1222	S	34.9	Very low	36.6	Very low	105 Å²	105	125.9 Å²	125.9	73%	0.734	64%	0.636	S	S	*	*	S	Bend		-159.2	151.6	55.2	-60.1	0	0	0	0	111.3
1223	R	32.1	Very low	36.3	Very low	242 Å²	242	126.5 Å²	126.5	91%	0.913	64%	0.642	S	S	*	*			cis	-121.6	110.3	37.5	-63.5	-174.7	179	91.7	0.3	115.2	Q1225	R1223-Q1225 PolarHBondContact O-N 3.16Å
1224	C	28.2	Very low	35.8	Very low	63 Å²	63	126.3 Å²	126.3	43%	0.426	64%	0.643	S	S	.	*			trans	-43.4	126	134.5	-83.2	0	0	0	0	109.9	I1221	I1221-C1224 HydrophobicContact CG2-CB 4.06Å; I1221-C1224 VanDerWaalsContact CG2-SG 3.53Å
1225	Q	30	Very low	35.3	Very low	160 Å²	160	129.1 Å²	129.1	75%	0.748	67%	0.665	S	S	*	*				60.1	154.2	110.5	-57.8	155.8	-5.7	0	0	117.1	R1223	R1223-Q1225 PolarHBondContact O-N 3.16Å
1226	H	30.1	Very low	34.5	Very low	138 Å²	138	131.6 Å²	131.6	64%	0.639	67%	0.669	S	S	*	*			cis	-157.1	173	25.6	-150.2	-70.6	0	0	0	111.3
1227	L	33.2	Very low	34.1	Very low	102 Å²	102	127.5 Å²	127.5	53%	0.534	66%	0.663	S	S	.	*			trans	83.7	98.2	158.9	-61.1	173.3	0	0	0	118.1	L1095	L1095-L1227 WeakPolarHBondContact CD2-O 3.31Å
1228	D	35.4	Very low	34.3	Very low	83 Å²	83	128.4 Å²	128.4	44%	0.444	67%	0.673	S	S	.	*				108.4	135.7	120	-64.3	4.6	0	0	0	119
1229	L	36.7	Very low	33.7	Very low	114 Å²	114	126.1 Å²	126.1	60%	0.597	68%	0.677	S	S	*	*			cis	-164.1	151	-26.6	-146.4	66.3	0	0	0	111.4
1230	E	34.4	Very low	33.7	Very low	139 Å²	139	124.1 Å²	124.1	65%	0.65	68%	0.676	S	S	*	*			trans	15.3	156.9	138.9	-62.4	173.7	176.5	0	0	122.2
1231	H	37.2	Very low	33.8	Very low	125 Å²	125	123.3 Å²	123.3	58%	0.579	67%	0.67	S	S	*	*			cis	-153.5	161.7	6	-114.9	-4.9	0	0	0	108.1
1232	V	38.5	Very low	34.2	Very low	110 Å²	110	127 Å²	127	67%	0.667	68%	0.682	S	S	*	*				59.3	146	59.6	-164	0	0	0	0	109.9
1233	I	37.2	Very low	34.2	Very low	127 Å²	127	128.4 Å²	128.4	65%	0.651	69%	0.685	S	S	*	*				-160.5	159.1	54.6	-17.9	179.7	0	0	0	106.7
1234	S	35.9	Very low	34.1	Very low	99 Å²	99	122.8 Å²	122.8	69%	0.692	68%	0.683	S	S	*	*			cis	-156.9	143	19.9	-20.3	0	0	0	0	110.3
1235	S	35.8	Very low	34.8	Very low	93 Å²	93	125.5 Å²	125.5	65%	0.65	70%	0.703	S	S	*	*				83.2	153.3	70.9	-52.2	0	0	0	0	113.6
1236	L	32.6	Very low	35	Very low	156 Å²	156	122.8 Å²	122.8	82%	0.817	70%	0.701	S	S	*	*			cis	-158.7	167.4	16.9	-137.2	149.2	0	0	0	112.7
1237	S	32.5	Very low	35.9	Very low	94 Å²	94	120.6 Å²	120.6	66%	0.657	70%	0.7	S	S	*	*			trans	77.4	82.7	154	55.8	0	0	0	0	123.1
1238	S	34.9	Very low	35.9	Very low	108 Å²	108	121.1 Å²	121.1	76%	0.755	70%	0.703	S	S	*	*				46.1	111.6	120.1	63.5	0	0	0	0	122.7
1239	S	31.9	Very low	36	Very low	108 Å²	108	124.8 Å²	124.8	76%	0.755	72%	0.717	S	S	*	*				157.3	144	87.9	61.3	0	0	0	0	117.3
1240	T	31.4	Very low	36.1	Very low	127 Å²	127	126.3 Å²	126.3	78%	0.779	72%	0.721	S	S	*	*			trans	67.9	110.1	161.6	66.1	0	0	0	0	122.7
1241	K	36	Very low	36.4	Very low	182 Å²	182	126.2 Å²	126.2	79%	0.791	72%	0.724	S	S	*	*				167.9	145.2	129	-90.7	167.7	-178.3	177.9	0	108
1242	K	39.2	Very low	36.6	Very low	193 Å²	193	128.1 Å²	128.1	84%	0.839	73%	0.734	S	S	*	*			cis	70.4	138.9	44.9	-82.5	-162.7	172.8	-170.5	0	114.6
1243	V	35.4	Very low	36.6	Very low	134 Å²	134	128.3 Å²	128.3	81%	0.812	74%	0.735	S	S	*	*			cis	-175.6	143.1	-26.2	116.1	0	0	0	0	107.6
1244	S	29.5	Very low	36.8	Very low	124 Å²	124	127.4 Å²	127.4	87%	0.867	74%	0.74	S	S	*	*			trans	-167.8	175	162.9	53.7	0	0	0	0	111.9
1245	S	42.6	Very low	37	Very low	120 Å²	120	127.2 Å²	127.2	84%	0.839	74%	0.739	S	S	*	*			trans	-141.9	160.2	-178.5	53	0	0	0	0	111.4
1246	S	35.2	Very low	37.1	Very low	102 Å²	102	129 Å²	129	71%	0.713	75%	0.746	S	S	*	*			trans	-139.1	164.8	-167	42.2	0	0	0	0	111.6
1247	P	48	Very low	37.3	Very low	93 Å²	93	125.5 Å²	125.5	60%	0.604	74%	0.739	S	S	*	*			cis	-108.3	-155.3	15.4	24.6	0.3	0	0	0	112.3	H1265	P1247-H1265 VanDerWaalsContact C-CE1 3.49Å
1248	D	34.5	Very low	37.4	Very low	113 Å²	113	128.9 Å²	128.9	60%	0.604	75%	0.75	S	S	*	*			cis	-138.5	161.6	11.4	-60.8	-88.4	0	0	0	114.4	S1264 H1265	D1248-S1264 WeakPolarHBondContact O-CB 3.17Å; D1248-S1264 PolarHBondContact O-OG 2.82Å; D1248-H1265 VanDerWaalsContact CA-NE2 3.32Å; D1248-H1265 WeakPolarHBondContact CA-NE2 3.4Å; D1248-H1265 PolarHBondContact N-NE2 2.8Å; D1248-H1265 PolarHBondContact O-CD2 3.49Å; D1248-H1265 PolarHBondContact O-NE2 3.35Å
1249	H	37.4	Very low	37.7	Very low	159 Å²	159	132.8 Å²	132.8	74%	0.736	76%	0.756	S	S	*	*			trans	-63.8	150	-157.9	-90	-113.8	0	0	0	121.7
1250	E	37.9	Very low	37.8	Very low	146 Å²	146	131.5 Å²	131.5	68%	0.682	75%	0.748	S	S	*	*			trans	67.6	126.7	140.2	-76	170.5	-136	0	0	127.9
1251	L	41.3	Very low	38	Very low	137 Å²	137	130 Å²	130	72%	0.717	74%	0.742	S	S	*	*			trans	67.7	105.6	141	-64.1	175.7	0	0	0	124.8
1252	Q	40.4	Very low	38.1	Very low	166 Å²	166	128.4 Å²	128.4	78%	0.776	74%	0.741	S	S	*	*			trans	77	127.2	130.3	-80	-170.5	-21.7	0	0	124.6
1253	T	39.7	Very low	37.9	Very low	113 Å²	113	123.7 Å²	123.7	69%	0.693	73%	0.733	S	S	*	*			trans	65.6	106.1	140.3	54.6	0	0	0	0	122.4
1254	S	39.9	Very low	37.9	Very low	109 Å²	109	120.8 Å²	120.8	76%	0.762	72%	0.718	S	S	*	*				59.2	143.8	125	62	0	0	0	0	121.7
1255	S	41.8	Very low	38.1	Very low	95 Å²	95	119.3 Å²	119.3	66%	0.664	70%	0.698	S	S	*	*			cis	-173.2	163.3	-8.9	45.9	0	0	0	0	110.6
1256	T	37.8	Very low	37.7	Very low	130 Å²	130	118.7 Å²	118.7	80%	0.798	69%	0.693	S	S	*	*			trans	68.8	141.4	172.7	75.6	0	0	0	0	115.1
1257	A	36.9	Very low	37.7	Very low	82 Å²	82	119.9 Å²	119.9	68%	0.678	70%	0.697	S	S	*	*	S	Bend	cis	-136.3	177.6	-10.3	0	0	0	0	0	110
1258	D	34.7	Very low	37.1	Very low	166 Å²	166	121.6 Å²	121.6	89%	0.888	71%	0.705	S	S	*	*	S	Bend	trans	56.6	51.1	-179.1	-66.2	-1.9	0	0	0	115.3	S1260	D1258-S1260 PolarHBondContact O-N 3.37Å
1259	E	40.3	Very low	37.1	Very low	189 Å²	189	122 Å²	122	88%	0.883	71%	0.711	S	S	*	*	S	Bend	trans	58.2	49.6	154.6	-53.8	-156.8	164.1	0	0	117.4
1260	S	34.7	Very low	37	Very low	82 Å²	82	121.1 Å²	121.1	57%	0.573	71%	0.712	S	S	*	*				-17.8	144.9	117.1	58.2	0	0	0	0	115	D1258	D1258-S1260 PolarHBondContact O-N 3.37Å
1261	S	34.4	Very low	37	Very low	95 Å²	95	119.9 Å²	119.9	66%	0.664	71%	0.714	S	S	*	*			cis	179.9	172.6	0	47.4	0	0	0	0	109.5
1262	L	39.2	Very low	36.9	Very low	148 Å²	148	116.5 Å²	116.5	78%	0.775	71%	0.713	S	S	*	*			trans	31.2	119.3	139	-59.3	167.4	0	0	0	118.6
1263	S	34.3	Very low	36.7	Very low	95 Å²	95	114.6 Å²	114.6	66%	0.664	71%	0.706	S	S	*	*				46.2	125.5	68.6	80.2	0	0	0	0	113.5
1264	S	34.6	Very low	36.7	Very low	72 Å²	72	114.9 Å²	114.9	50%	0.503	70%	0.701	S	S	.	*			cis	-162.2	171.2	22.4	-55.3	0	0	0	0	112.6	D1248	D1248-S1264 WeakPolarHBondContact O-CB 3.17Å; D1248-S1264 PolarHBondContact O-OG 2.82Å
1265	H	34.6	Very low	37.4	Very low	94 Å²	94	116.8 Å²	116.8	44%	0.435	70%	0.703	S	S	.	*			trans	74.1	158.7	148.2	-74	-40.7	0	0	0	125.7	P1247 D1248	P1247-H1265 VanDerWaalsContact C-CE1 3.49Å; D1248-H1265 VanDerWaalsContact CA-NE2 3.32Å; D1248-H1265 WeakPolarHBondContact CA-NE2 3.4Å; D1248-H1265 PolarHBondContact N-NE2 2.8Å; D1248-H1265 PolarHBondContact O-CD2 3.49Å; D1248-H1265 PolarHBondContact O-NE2 3.35Å
1266	S	35.3	Very low	36.9	Very low	107 Å²	107	121 Å²	121	75%	0.748	71%	0.712	S	S	*	*			trans	60.8	107.1	168.5	-104.5	0	0	0	0	116.8
1267	T	34	Very low	36.9	Very low	127 Å²	127	118 Å²	118	78%	0.779	70%	0.695	S	S	*	*				93.4	136.2	53.4	-69.7	0	0	0	0	112.2
1268	V	35.1	Very low	36.9	Very low	129 Å²	129	117.1 Å²	117.1	78%	0.782	68%	0.682	S	S	*	*			trans	81.3	111.5	168.1	150.8	0	0	0	0	119.1
1269	V	35.8	Very low	36.9	Very low	121 Å²	121	115.5 Å²	115.5	73%	0.733	68%	0.678	S	S	*	*			trans	79.5	96.7	142.7	179.5	0	0	0	0	121.9
1270	N	35.2	Very low	36.8	Very low	140 Å²	140	111.5 Å²	111.5	75%	0.749	67%	0.666	S	S	*	*				60.2	104.3	129.2	-67.5	-11.9	0	0	0	125
1271	V	38	Very low	36.9	Very low	120 Å²	120	111.5 Å²	111.5	73%	0.727	67%	0.665	S	S	*	*				58.2	119.8	103.3	174.2	0	0	0	0	120.4	I1273	V1271-I1273 HydrophobicContact CG1-CD1 3.92Å; V1271-I1273 HydrophobicContact CG1-CG1 4.34Å
1272	G	38.1	Very low	37.2	Very low	67 Å²	67	114.6 Å²	114.6	69%	0.691	67%	0.668	S	S	*	*			trans	156.7	56	155.3	0	0	0	0	0	113.5
1273	I	37.4	Very low	37.2	Very low	125 Å²	125	114.2 Å²	114.2	64%	0.641	67%	0.666	S	S	*	*				50.1	137.7	88.7	-40.7	179.2	0	0	0	114.6	V1271	V1271-I1273 HydrophobicContact CG1-CD1 3.92Å; V1271-I1273 HydrophobicContact CG1-CG1 4.34Å
1274	M	39.3	Very low	37.2	Very low	120 Å²	120	116 Å²	116	59%	0.591	67%	0.667	S	S	*	*			trans	95.8	132.6	169.5	-57.2	-171	-65	0	0	114.1	P1277	M1274-P1277 CarbonylContact C-O 3.36Å; M1274-P1277 WeakPolarHBondContact CB-O 3.25Å; M1274-P1277 VanDerWaalsContact O-O 3.11Å
1275	N	54	Low	37.2	Very low	149 Å²	149	118.1 Å²	118.1	80%	0.797	66%	0.664	S	S	*	*	S	Bend	cis	65.3	109.5	-2.5	-155.7	8.6	0	0	0	116.3	P1277	N1275-P1277 PolarHBondContact N-O 3.31Å
1276	Q	32	Very low	37.2	Very low	182 Å²	182	119.9 Å²	119.9	85%	0.85	67%	0.667	S	S	*	*	S	Bend		-29.9	107.5	-128.9	-110.2	-163.8	-4.7	0	0	117.7	P1278	Q1276-P1278 VanDerWaalsContact CA-CD 3.41Å; Q1276-P1278 HydrophobicContact CG-CG 4.37Å
1277	P	36.8	Very low	37.1	Very low	69 Å²	69	120.2 Å²	120.2	45%	0.448	66%	0.66	S	S	.	*	S	Bend	cis	-81.2	117	13.5	-10.9	28.7	0	0	0	115.1	M1274 N1275 V1279	M1274-P1277 CarbonylContact C-O 3.36Å; M1274-P1277 WeakPolarHBondContact CB-O 3.25Å; M1274-P1277 VanDerWaalsContact O-O 3.11Å; N1275-P1277 PolarHBondContact N-O 3.31Å; P1277-V1279 HydrophobicContact CB-CG2 4.11Å
1278	P	37.1	Very low	37.2	Very low	63 Å²	63	120.2 Å²	120.2	41%	0.409	66%	0.655	S	S	.	*			trans	-77.5	117.1	147.1	38.3	-31.3	0	0	0	106.8	Q1276 V1280	Q1276-P1278 VanDerWaalsContact CA-CD 3.41Å; Q1276-P1278 HydrophobicContact CG-CG 4.37Å; P1278-V1280 HydrophobicContact CB-CG2 3.79Å; P1278-V1280 HydrophobicContact CG-CG2 4.49Å
1279	V	34.7	Very low	37.4	Very low	131 Å²	131	120.4 Å²	120.4	79%	0.794	65%	0.645	S	S	*	*			trans	-126.8	87.5	161.9	-179.5	0	0	0	0	102.1	P1277	P1277-V1279 HydrophobicContact CB-CG2 4.11Å
1280	V	38.6	Very low	37.5	Very low	105 Å²	105	117.9 Å²	117.9	64%	0.636	63%	0.628	S	S	*	*			cis	52.8	104.1	44.9	177.9	0	0	0	0	111.3	P1278	P1278-V1280 HydrophobicContact CB-CG2 3.79Å; P1278-V1280 HydrophobicContact CG-CG2 4.49Å
1281	P	37.1	Very low	37.7	Very low	83 Å²	83	116.3 Å²	116.3	54%	0.539	61%	0.614	S	S	.	*			cis	-136.4	-173.7	-25.4	38.6	-21.7	0	0	0	112.3
1282	Q	39.3	Very low	37.6	Very low	159 Å²	159	119.3 Å²	119.3	74%	0.743	62%	0.618	S	S	*	*			trans	58	148	144	-76.4	162.6	-9.3	0	0	121.2	K1018	K1018-Q1282 PolarHBondContact NZ-O 3.27Å
1283	L	40.3	Very low	37.2	Very low	140 Å²	140	123.1 Å²	123.1	73%	0.733	62%	0.621	S	S	*	*			trans	22.1	116	148.9	-72.9	75	0	0	0	117.5	K1018 R1285	K1018-L1283 VanDerWaalsContact CD-O 3.23Å; K1018-L1283 WeakPolarHBondContact CD-O 3.29Å; K1018-L1283 VanDerWaalsContact CE-O 3.31Å; K1018-L1283 WeakPolarHBondContact CE-O 3.23Å; K1018-L1283 PolarHBondContact NZ-O 3.3Å; L1283-R1285 PolarHBondContact O-N 3.04Å
1284	I	34.7	Very low	37.4	Very low	133 Å²	133	122.8 Å²	122.8	68%	0.682	63%	0.627	S	S	*	*			trans	-25.3	131.2	144.5	-68.2	163.1	0	0	0	110.2	L1021	L1021-I1284 HydrophobicContact CD2-CG2 4.2Å
1285	R	34.5	Very low	37.2	Very low	117 Å²	117	120.7 Å²	120.7	44%	0.442	62%	0.624	S	S	.	*				-129	-139.8	56	-59.2	152.9	85.7	-159.6	0.1	113.9	K1018 A1019 D1020 L1283	K1018-R1285 HydrophobicContact CB-CB 3.94Å; K1018-R1285 WeakPolarHBondContact CD-O 3.38Å; K1018-R1285 WeakPolarHBondContact CE-O 3.3Å; K1018-R1285 VanDerWaalsContact CG-O 3.22Å; K1018-R1285 WeakPolarHBondContact CG-O 3.46Å; A1019-R1285 VanDerWaalsContact CA-CB 3.5Å; D1020-R1285 VanDerWaalsContact N-CB 3.31Å; D1020-R1285 WeakPolarHBondContact O-CA 3.27Å; D1020-R1285 VanDerWaalsContact O-CB 3.27Å; D1020-R1285 WeakPolarHBondContact O-CB 3.49Å; D1020-R1285 IonicContact OD1-CZ 2.73Å; D1020-R1285 IonicContact OD1-NE 3.58Å; D1020-R1285 IonicContact OD1-NH2 2.65Å; D1020-R1285 PolarHBondContact OD1-NH2 2.87Å; L1283-R1285 PolarHBondContact O-N 3.04Å
1286	R	33.7	Very low	36.4	Very low	130 Å²	130	120.4 Å²	120.4	49%	0.491	62%	0.618	S	S	.	*	B	Isolated β-bridge	trans	-111.4	140.1	-176.4	-45.3	160.9	-60.6	173	6	116.9	K1018 A1019 D1020	K1018-R1286 CarbonylContact C-O 2.98Å; K1018-R1286 WeakPolarHBondContact CA-O 3.26Å; A1019-R1286 PolarHBondContact N-O 3.35Å; A1019-R1286 WeakPolarHBondContact O-CA 3.3Å; A1019-R1286 WeakPolarHBondContact O-CB 3.03Å; A1019-R1286 VanDerWaalsContact O-CG 3.3Å; A1019-R1286 WeakPolarHBondContact O-CG 3.32Å; A1019-R1286 PolarHBondContact O-N 3.34Å; A1019-R1286 PolarHBondContact O-NE 2.7Å; D1020-R1286 WeakPolarHBondContact O-CG 3.18Å; D1020-R1286 PolarHBondContact O-N 3.22Å; D1020-R1286 IonicContact OD2-CZ 3.53Å; D1020-R1286 IonicContact OD2-NH2 3.3Å; D1020-R1286 PolarHBondContact OD2-NH2 3.15Å
1287	N	33.4	Very low	36.5	Very low	114 Å²	114	115 Å²	115	61%	0.61	60%	0.601	S	S	*	*			trans	88.4	141.4	151.2	-58.1	-21.6	0	0	0	124.2	G1017 K1018	G1017-N1287 PolarHBondContact N-O 2.69Å; G1017-N1287 VanDerWaalsContact N-O 3.13Å; K1018-N1287 PolarHBondContact N-O 3.02Å; K1018-N1287 VanDerWaalsContact N-O 3.17Å
1288	L	36.8	Very low	36.2	Very low	128 Å²	128	116.4 Å²	116.4	67%	0.67	60%	0.604	S	S	*	*			trans	77.7	106	137.5	-80.8	166.2	0	0	0	125.6	S1016	S1016-L1288 CarbonylContact O-C 3.11Å
1289	K	39.1	Very low	36	Very low	132 Å²	132	117.9 Å²	117.9	57%	0.574	62%	0.616	S	S	*	*			trans	83.6	108.8	154.6	-72.6	166.6	-178.3	166.4	0	116.5	P1014 S1015 S1016	P1014-K1289 CarbonylContact O-C 3.26Å; S1015-K1289 CarbonylContact C-O 3.11Å; S1015-K1289 VanDerWaalsContact C-O 3.32Å; S1015-K1289 WeakPolarHBondContact CA-O 3.16Å; S1016-K1289 PolarHBondContact N-O 3.28Å; S1016-K1289 PolarHBondContact O-N 3.44Å
1290	D	37.3	Very low	36	Very low	69 Å²	69	117.2 Å²	117.2	37%	0.369	62%	0.617	S	S	.	*				80.9	94.8	102.5	-73	13.6	0	0	0	126.2	S1013 P1014 S1015	S1013-D1290 CarbonylContact C-O 3.21Å; S1013-D1290 VanDerWaalsContact OG-CB 3.31Å; S1013-D1290 WeakPolarHBondContact OG-CB 3.03Å; S1013-D1290 PolarHBondContact OG-OD2 3.35Å; P1014-D1290 VanDerWaalsContact C-C 3.4Å; P1014-D1290 CarbonylContact C-O 3.42Å; P1014-D1290 WeakPolarHBondContact CA-O 3.44Å; P1014-D1290 CarbonylContact O-C 3.46Å; S1015-D1290 PolarHBondContact N-O 2.7Å; S1015-D1290 VanDerWaalsContact N-O 3.13Å
1291	K	38.9	Very low	35.7	Very low	107 Å²	107	121.2 Å²	121.2	47%	0.465	63%	0.629	S	S	.	*			trans	69.6	171.7	145.2	-40.7	145.3	-175.7	144.1	0	116.5	S1013 P1014 S1015	S1013-K1291 PolarHBondContact OG-NZ 2.96Å; S1013-K1291 VanDerWaalsContact OG-NZ 3.11Å; P1014-K1291 CarbonylContact C-O 2.87Å; P1014-K1291 WeakPolarHBondContact CA-O 3.37Å; S1015-K1291 WeakPolarHBondContact CB-O 3.36Å; S1015-K1291 PolarHBondContact N-O 3.09Å; S1015-K1291 PolarHBondContact OG-O 2.67Å; S1015-K1291 VanDerWaalsContact OG-O 3.13Å
1292	K	37.2	Very low	35.3	Very low	183 Å²	183	120.3 Å²	120.3	80%	0.796	63%	0.634	S	S	*	*			cis	-152.4	165.7	6.7	-151.6	173.5	180	-169.8	0	112.5
1293	L	29.5	Very low	34.7	Very low	146 Å²	146	121.3 Å²	121.3	76%	0.764	64%	0.638	S	S	*	*			trans	-49.4	155	169.7	-61.2	154.7	0	0	0	114.5
1294	P	41.2	Very low	34.3	Very low	118 Å²	118	120.7 Å²	120.7	77%	0.766	64%	0.636	S	S	*	*				-121.6	142.9	91.7	3.2	17.6	0	0	0	112.2
1295	S	35.1	Very low	34.2	Very low	76 Å²	76	124.7 Å²	124.7	53%	0.531	65%	0.649	S	S	.	*			cis	96.6	147.3	31.9	78.3	0	0	0	0	114.1
1296	Q	36.1	Very low	34.4	Very low	144 Å²	144	121.8 Å²	121.8	67%	0.673	66%	0.656	S	S	*	*			cis	-131	-51.9	18.1	-157.1	79.6	-106.9	0	0	117.2
1297	S	35.4	Very low	34.4	Very low	69 Å²	69	122 Å²	122	48%	0.483	67%	0.671	S	S	.	*			trans	84.1	141.3	-179.3	79.8	0	0	0	0	119.8	E180	E180-S1297 VanDerWaalsContact OE2-C 3.27Å; E180-S1297 WeakPolarHBondContact OE2-CA 3.45Å; E180-S1297 PolarHBondContact OE2-N 3.34Å
1298	L	30	Very low	34.6	Very low	97 Å²	97	123.8 Å²	123.8	51%	0.508	68%	0.68	S	S	.	*			trans	-65.1	118.1	176.3	-73	-179.8	0	0	0	112.4	E180	E180-L1298 HydrophobicContact CB-CG 4.18Å; E180-L1298 WeakPolarHBondContact O-CD1 3.3Å
1299	S	32.7	Very low	34.6	Very low	94 Å²	94	121.5 Å²	121.5	66%	0.657	68%	0.68	S	S	*	*			cis	90.1	109.1	24.5	102.8	0	0	0	0	116.1
1300	S	35.1	Very low	34.5	Very low	118 Å²	118	120.3 Å²	120.3	83%	0.825	69%	0.686	S	S	*	*			trans	-175.3	75.5	161.7	65.3	0	0	0	0	107.6
1301	Q	32.1	Very low	34.1	Very low	189 Å²	189	123.5 Å²	123.5	88%	0.883	70%	0.703	S	S	*	*				96.2	135.2	60.9	-170.3	-174.4	38.7	0	0	112.3
1302	G	28	Very low	33.7	Very low	63 Å²	63	123.4 Å²	123.4	65%	0.649	72%	0.716	S	S	*	*			trans	84.1	125.8	-169.4	0	0	0	0	0	111.4
1303	H	28.2	Very low	33.5	Very low	180 Å²	180	121.4 Å²	121.4	83%	0.833	71%	0.712	S	S	*	*			cis	-158.1	163.1	7.1	-97.7	-64.9	0	0	0	106.1
1304	D	32	Very low	33.7	Very low	127 Å²	127	122.7 Å²	122.7	68%	0.679	71%	0.714	S	S	*	*			cis	-165.7	178.6	-21.3	-146	-44.6	0	0	0	106.5	G1306	D1304-G1306 PolarHBondContact O-N 3.38Å
1305	F	31.3	Very low	33.2	Very low	217 Å²	217	123.9 Å²	123.9	95%	0.952	71%	0.714	S	S	*	*			trans	-71.6	121.4	175.8	-81.7	-95	0	0	0	113.4
1306	G	38.9	Very low	33.3	Very low	57 Å²	57	126 Å²	126	59%	0.588	72%	0.718	S	S	*	*			trans	-150.7	131.4	164.6	0	0	0	0	0	107.8	D1304	D1304-G1306 PolarHBondContact O-N 3.38Å
1307	V	34.6	Very low	33.2	Very low	133 Å²	133	127.3 Å²	127.3	81%	0.806	72%	0.724	S	S	*	*				67.6	121.3	68.5	176	0	0	0	0	111.3
1308	D	38.1	Very low	33	Very low	152 Å²	152	128.8 Å²	128.8	81%	0.813	74%	0.735	S	S	*	*			trans	62.9	149.5	-175.5	-57	-24.9	0	0	0	114.3
1309	A	36.7	Very low	33.2	Very low	81 Å²	81	133.2 Å²	133.2	67%	0.669	75%	0.745	S	S	*	*			cis	-160.3	159.7	-23.5	0	0	0	0	0	107.2
1310	P	36.6	Very low	33.5	Very low	107 Å²	107	132.8 Å²	132.8	70%	0.695	74%	0.738	S	S	*	*			trans	-73.2	-170.7	170.1	34.6	-37.6	0	0	0	111.6
1311	D	29.3	Very low	33.7	Very low	136 Å²	136	130.9 Å²	130.9	73%	0.727	72%	0.722	S	S	*	*			trans	74.3	99.5	158.1	-54.9	-31	0	0	0	119.7
1312	S	29.7	Very low	33.7	Very low	104 Å²	104	125.1 Å²	125.1	73%	0.727	70%	0.697	S	S	*	*				76.6	166.1	116.7	-59.9	0	0	0	0	120.1
1313	I	33.2	Very low	34.3	Very low	142 Å²	142	124.4 Å²	124.4	73%	0.728	68%	0.684	S	S	*	*			trans	65.8	103.3	170.5	-48.8	172.4	0	0	0	112.6
1314	Q	33.1	Very low	34.8	Very low	172 Å²	172	119.9 Å²	119.9	80%	0.804	67%	0.673	S	S	*	*			cis	-137	100.5	44.1	-63.4	171.5	24.2	0	0	113.1
1315	L	32.2	Very low	35	Very low	144 Å²	144	119.8 Å²	119.8	75%	0.754	67%	0.671	S	S	*	*				-79.9	130.4	107.9	-98.4	171.7	0	0	0	106.5
1316	L	36	Very low	35.5	Very low	121 Å²	121	113.9 Å²	113.9	63%	0.634	65%	0.647	S	S	*	*			trans	-97.1	135.8	152.8	-138.8	83.4	0	0	0	105.8
1317	E	34.4	Very low	35.6	Very low	171 Å²	171	115.4 Å²	115.4	80%	0.799	65%	0.648	S	S	*	*			trans	65.9	66.5	168.4	-58.7	178	167.4	0	0	114.9
1318	S	30.7	Very low	36.1	Very low	100 Å²	100	116.8 Å²	116.8	70%	0.699	65%	0.651	S	S	*	*				-111.2	122	123.9	-63	0	0	0	0	107.9
1319	R	34.9	Very low	36.4	Very low	190 Å²	190	116.6 Å²	116.6	72%	0.717	65%	0.649	S	S	*	*			trans	-170.5	131.1	179.8	-115.7	-158.4	164.4	-160.1	-4.1	104.9	E259	E259-R1319 VanDerWaalsContact OE2-CG 3.25Å; E259-R1319 WeakPolarHBondContact OE2-CG 3.28Å; E259-R1319 IonicContact OE2-NE 2.67Å; E259-R1319 PolarHBondContact OE2-NE 3.33Å
1320	T	39.5	Very low	36.5	Very low	85 Å²	85	119.2 Å²	119.2	52%	0.521	65%	0.652	S	S	.	*			cis	-146.9	151.4	13.2	46	0	0	0	0	113.5	E259	E259-T1320 WeakPolarHBondContact OE1-CA 3.42Å; E259-T1320 WeakPolarHBondContact OE1-CB 3.46Å; E259-T1320 VanDerWaalsContact OE1-CG2 3.28Å; E259-T1320 WeakPolarHBondContact OE1-CG2 3.24Å
1321	T	39	Very low	37.1	Very low	78 Å²	78	121.5 Å²	121.5	48%	0.479	66%	0.658	S	S	.	*			trans	42	124.9	153.9	56.6	0	0	0	0	121.2	E259 E261	E259-T1321 HydrophobicContact CG-CG2 4.11Å; E259-T1321 WeakPolarHBondContact OE1-CG2 3.49Å; E259-T1321 PolarHBondContact OE1-N 2.89Å; E261-T1321 WeakPolarHBondContact OE1-CA 3.23Å
1322	L	32	Very low	37.9	Very low	68 Å²	68	121.2 Å²	121.2	36%	0.356	66%	0.655	S	S	.	*				-81.7	157.5	120.1	-118.8	178.5	0	0	0	111.2	E261	E261-L1322 PolarHBondContact OE1-N 3.29Å
1323	A	39.1	Very low	38.5	Very low	47 Å²	47	122.3 Å²	122.3	39%	0.388	65%	0.653	S	S	.	*			trans	-149.2	121.4	170.2	0	0	0	0	0	111.9	Q1349 S1350	A1323-Q1349 CarbonylContact O-C 3.22Å; A1323-Q1349 VanDerWaalsContact O-O 3.05Å; A1323-S1350 CarbonylContact O-C 3.42Å; A1323-S1350 WeakPolarHBondContact O-CA 3.05Å; A1323-S1350 PolarHBondContact O-N 2.94Å
1324	S	39.5	Very low	38.5	Very low	86 Å²	86	123.5 Å²	123.5	60%	0.601	66%	0.655	S	S	*	*			trans	66.7	179.9	138.9	-38.7	0	0	0	0	121.5	G1348 Q1349 S1350	S1324-G1348 CarbonylContact C-O 3.32Å; S1324-G1348 WeakPolarHBondContact CB-O 3.46Å; S1324-Q1349 CarbonylContact O-C 3.3Å; S1324-Q1349 VanDerWaalsContact O-C 3.3Å; S1324-S1350 WeakPolarHBondContact O-CA 3.37Å; S1324-S1350 PolarHBondContact O-N 3.1Å
1325	I	36	Very low	38.8	Very low	125 Å²	125	120.6 Å²	120.6	64%	0.641	64%	0.642	S	S	*	*	B	Isolated β-bridge	trans	-146.4	129.7	-172.5	-62.5	178	0	0	0	112.8	G1348 Q1349 L1351	I1325-G1348 CarbonylContact C-O 3.22Å; I1325-G1348 VanDerWaalsContact C-O 3.22Å; I1325-G1348 WeakPolarHBondContact CA-O 3.28Å; I1325-G1348 PolarHBondContact N-O 2.72Å; I1325-G1348 CarbonylContact O-C 3.34Å; I1325-G1348 WeakPolarHBondContact O-CA 3.28Å; I1325-G1348 PolarHBondContact O-N 2.73Å; I1325-G1348 VanDerWaalsContact O-O 3.11Å; I1325-Q1349 VanDerWaalsContact C-N 3.31Å; I1325-L1351 HydrophobicContact CG1-CD1 4.31Å
1326	E	42.4	Very low	38.7	Very low	93 Å²	93	115.9 Å²	115.9	44%	0.435	62%	0.617	S	S	.	*			trans	-136	121.2	165.8	-137.1	169.5	179.3	0	0	110.9	P1347 Q1349	E1326-P1347 HydrophobicContact CG-CB 3.71Å; E1326-P1347 HydrophobicContact CG-CG 3.47Å; E1326-P1347 VanDerWaalsContact CG-CG 3.47Å; E1326-Q1349 HydrophobicContact CB-CB 4.24Å; E1326-Q1349 HydrophobicContact CB-CG 3.6Å; E1326-Q1349 VanDerWaalsContact N-CG 3.32Å; E1326-Q1349 WeakPolarHBondContact O-CG 3.49Å; E1326-Q1349 PolarHBondContact O-NE2 2.65Å
1327	S	40.3	Very low	38.5	Very low	89 Å²	89	112.4 Å²	112.4	62%	0.622	60%	0.597	S	S	*	*			trans	-67.7	154.6	170.4	48.1	0	0	0	0	113
1328	D	46.1	Very low	38.1	Very low	161 Å²	161	110.5 Å²	110.5	86%	0.861	59%	0.591	S	S	*	*			trans	-137.6	74.6	170.2	-148.5	14	0	0	0	110.3
1329	L	44.4	Very low	38.3	Very low	149 Å²	149	113.3 Å²	113.3	78%	0.78	59%	0.591	S	S	*	*			trans	-153.8	140.5	163.3	-72.2	-173.2	0	0	0	106.4
1330	D	38	Very low	38.3	Very low	135 Å²	135	109.3 Å²	109.3	72%	0.722	58%	0.584	S	S	*	*			cis	-132.6	160	5.5	-90.9	-53.3	0	0	0	112.8
1331	L	50.4	Low	38.1	Very low	155 Å²	155	110 Å²	110	81%	0.812	58%	0.584	S	S	*	*			trans	-144.6	125.1	161	-68.7	178.9	0	0	0	107.1
1332	L	45.4	Very low	37.9	Very low	130 Å²	130	112.1 Å²	112.1	68%	0.681	59%	0.593	S	S	*	*			cis	-164.7	169.7	10.2	-106.6	176.6	0	0	0	111.3
1333	D	42.7	Very low	38	Very low	127 Å²	127	114.4 Å²	114.4	68%	0.679	61%	0.61	S	S	*	*			trans	75.9	128.9	149.3	-64.9	-13.5	0	0	0	119.4
1334	E	31.6	Very low	37.7	Very low	167 Å²	167	119 Å²	119	78%	0.78	63%	0.625	S	S	*	*			cis	-142.9	-166.1	-7.3	-65.7	-156	122	0	0	111
1335	E	39.6	Very low	37.4	Very low	112 Å²	112	121.7 Å²	121.7	52%	0.523	63%	0.631	S	S	.	*			trans	-21.2	142.7	160.8	-73.7	-173	91.9	0	0	115.9	K1337	E1335-K1337 HydrophobicContact CB-CB 4.13Å; E1335-K1337 HydrophobicContact CG-CB 3.94Å; E1335-K1337 VanDerWaalsContact OE1-CB 3.26Å; E1335-K1337 WeakPolarHBondContact OE1-CB 3.36Å; E1335-K1337 WeakPolarHBondContact OE1-CE 3.14Å; E1335-K1337 WeakPolarHBondContact OE1-CG 3.11Å
1336	I	31.5	Very low	37.4	Very low	45 Å²	45	120.9 Å²	120.9	23%	0.231	63%	0.634	C	S	.	*			cis	-113.4	105.1	46.4	-70.1	-176	0	0	0	112.6	E338 G339 F1467	E338-I1336 WeakPolarHBondContact O-CD1 3.3Å; G339-I1336 VanDerWaalsContact CA-CG2 3.45Å; I1336-F1467 HydrophobicContact CD1-CD1 3.67Å; I1336-F1467 HydrophobicContact CD1-CD2 3.5Å; I1336-F1467 VanDerWaalsContact CD1-CD2 3.5Å; I1336-F1467 HydrophobicContact CD1-CE1 3.6Å; I1336-F1467 HydrophobicContact CD1-CE2 3.45Å; I1336-F1467 VanDerWaalsContact CD1-CE2 3.45Å; I1336-F1467 HydrophobicContact CD1-CG 3.63Å; I1336-F1467 HydrophobicContact CD1-CZ 3.5Å; I1336-F1467 HydrophobicContact CG1-CD1 4.16Å; I1336-F1467 HydrophobicContact CG1-CE1 3.68Å; I1336-F1467 HydrophobicContact CG1-CE2 4.14Å; I1336-F1467 HydrophobicContact CG1-CZ 3.68Å
1337	K	30.4	Very low	37.4	Very low	48 Å²	48	119.8 Å²	119.8	21%	0.209	64%	0.635	C	S	.	*				71.6	102	77.7	-174.5	-153.7	-42.6	97	0	112.3	F337 E338 E1335	F337-K1337 HydrophobicContact CB-CD 4.01Å; F337-K1337 HydrophobicContact CD1-CD 3.77Å; F337-K1337 HydrophobicContact CD2-CD 4.42Å; F337-K1337 HydrophobicContact CE1-CD 4.31Å; F337-K1337 HydrophobicContact CG-CD 3.83Å; E338-K1337 PolarHBondContact O-NZ 3.44Å; E1335-K1337 HydrophobicContact CB-CB 4.13Å; E1335-K1337 HydrophobicContact CG-CB 3.94Å; E1335-K1337 VanDerWaalsContact OE1-CB 3.26Å; E1335-K1337 WeakPolarHBondContact OE1-CB 3.36Å; E1335-K1337 WeakPolarHBondContact OE1-CE 3.14Å; E1335-K1337 WeakPolarHBondContact OE1-CG 3.11Å
1338	L	27.5	Very low	37.1	Very low	130 Å²	130	116.8 Å²	116.8	68%	0.681	62%	0.618	S	S	*	*			trans	48.9	106.1	153.2	-56.8	173.1	0	0	0	116.1
1339	K	33.1	Very low	36.8	Very low	159 Å²	159	114.8 Å²	114.8	69%	0.691	60%	0.604	S	S	*	*				158.5	139.2	103.6	-76	-145.2	152.6	-72.8	0	110
1340	D	36.5	Very low	36.4	Very low	107 Å²	107	110.8 Å²	110.8	57%	0.572	59%	0.588	S	S	*	*	S	Bend	cis	-156.3	155.8	-10.2	-102.8	-1.9	0	0	0	106.4
1341	D	35.4	Very low	36.2	Very low	99 Å²	99	110.2 Å²	110.2	53%	0.529	58%	0.584	S	S	.	*			cis	176.8	145.9	-25.8	-105.4	12.2	0	0	0	103.7
1342	N	34.4	Very low	35.4	Very low	123 Å²	123	108.1 Å²	108.1	66%	0.658	58%	0.578	S	S	*	*			cis	-168.5	145.6	5.4	-118.8	-24.9	0	0	0	112.6
1343	V	34.6	Very low	35	Very low	116 Å²	116	110.1 Å²	110.1	70%	0.703	58%	0.583	S	S	*	*			trans	70.1	139.1	132.3	166.6	0	0	0	0	121.6
1344	M	31.5	Very low	34.8	Very low	143 Å²	143	109.6 Å²	109.6	70%	0.704	59%	0.585	S	S	*	*			cis	-173.3	136	-14.3	-107.2	-179.6	67.5	0	0	114.3
1345	L	33.7	Very low	35	Very low	142 Å²	142	107.3 Å²	107.3	74%	0.743	59%	0.587	S	S	*	*				47.9	161.1	116	-66.8	-177.3	0	0	0	125.3
1346	P	37	Very low	34.7	Very low	108 Å²	108	106.7 Å²	106.7	70%	0.701	60%	0.595	S	S	*	*				-131.4	-90.6	-53.6	33.6	-11.5	0	0	0	123.8
1347	P	41.7	Very low	34.7	Very low	71 Å²	71	110.8 Å²	110.8	46%	0.461	62%	0.616	S	S	.	*				-141.4	-164.1	-127.5	39.8	-13.4	0	0	0	120.9	E1326	E1326-P1347 HydrophobicContact CG-CB 3.71Å; E1326-P1347 HydrophobicContact CG-CG 3.47Å; E1326-P1347 VanDerWaalsContact CG-CG 3.47Å
1348	G	34.3	Very low	34.7	Very low	25 Å²	25	112.7 Å²	112.7	26%	0.258	63%	0.633	S	S	.	*	B	Isolated β-bridge	trans	165.8	126.3	167	0	0	0	0	0	119.1	S1324 I1325	S1324-G1348 CarbonylContact C-O 3.32Å; S1324-G1348 WeakPolarHBondContact CB-O 3.46Å; I1325-G1348 CarbonylContact C-O 3.22Å; I1325-G1348 VanDerWaalsContact C-O 3.22Å; I1325-G1348 WeakPolarHBondContact CA-O 3.28Å; I1325-G1348 PolarHBondContact N-O 2.72Å; I1325-G1348 CarbonylContact O-C 3.34Å; I1325-G1348 WeakPolarHBondContact O-CA 3.28Å; I1325-G1348 PolarHBondContact O-N 2.73Å; I1325-G1348 VanDerWaalsContact O-O 3.11Å
1349	Q	38.7	Very low	35.1	Very low	120 Å²	120	112.5 Å²	112.5	56%	0.561	63%	0.627	S	S	*	*			trans	-66.2	172.2	-163	-88.1	173.7	15.3	0	0	122.3	A1323 S1324 I1325 E1326	A1323-Q1349 CarbonylContact O-C 3.22Å; A1323-Q1349 VanDerWaalsContact O-O 3.05Å; S1324-Q1349 CarbonylContact O-C 3.3Å; S1324-Q1349 VanDerWaalsContact O-C 3.3Å; I1325-Q1349 VanDerWaalsContact C-N 3.31Å; E1326-Q1349 HydrophobicContact CB-CB 4.24Å; E1326-Q1349 HydrophobicContact CB-CG 3.6Å; E1326-Q1349 VanDerWaalsContact N-CG 3.32Å; E1326-Q1349 WeakPolarHBondContact O-CG 3.49Å; E1326-Q1349 PolarHBondContact O-NE2 2.65Å
1350	S	35.6	Very low	35.1	Very low	65 Å²	65	113.4 Å²	113.4	46%	0.455	63%	0.626	S	S	.	*			cis	-178.7	167.9	-18.5	61.7	0	0	0	0	111.7	A1323 S1324	A1323-S1350 CarbonylContact O-C 3.42Å; A1323-S1350 WeakPolarHBondContact O-CA 3.05Å; A1323-S1350 PolarHBondContact O-N 2.94Å; S1324-S1350 WeakPolarHBondContact O-CA 3.37Å; S1324-S1350 PolarHBondContact O-N 3.1Å
1351	L	33.7	Very low	35.1	Very low	122 Å²	122	114.6 Å²	114.6	64%	0.639	63%	0.626	S	S	*	*			cis	179.5	-175.8	-21.3	-112.9	65.8	0	0	0	108.2	I1325	I1325-L1351 HydrophobicContact CG1-CD1 4.31Å
1352	V	35.2	Very low	35.1	Very low	111 Å²	111	118 Å²	118	67%	0.673	64%	0.639	S	S	*	*			cis	179.3	161.9	-39	148.6	0	0	0	0	108
1353	H	36.1	Very low	35	Very low	172 Å²	172	118.1 Å²	118.1	80%	0.796	64%	0.639	S	S	*	*			cis	-157.6	-158.8	22.3	-167.9	-119.1	0	0	0	115.7
1354	V	39.3	Very low	35	Very low	117 Å²	117	118.6 Å²	118.6	71%	0.709	64%	0.637	S	S	*	*			trans	-132.9	163.3	-166.1	173.1	0	0	0	0	117.2
1355	S	35.8	Very low	34.9	Very low	119 Å²	119	120.9 Å²	120.9	83%	0.832	64%	0.644	S	S	*	*			trans	-158	175.5	175.9	66.7	0	0	0	0	117.7
1356	S	32.9	Very low	34.9	Very low	98 Å²	98	121.1 Å²	121.1	69%	0.685	64%	0.644	S	S	*	*			trans	-162.3	-164.9	-165.7	69	0	0	0	0	120.9	Y1417	S1356-Y1417 PolarHBondContact O-OH 3.38Å
1357	I	31.2	Very low	34.8	Very low	132 Å²	132	121 Å²	121	68%	0.677	65%	0.646	S	S	*	*			trans	79.6	155.8	160.5	55.4	163.2	0	0	0	127.2	Y1417	I1357-Y1417 WeakPolarHBondContact O-CE2 3.27Å; I1357-Y1417 PolarHBondContact O-OH 3.11Å
1358	P	31.3	Very low	34.7	Very low	87 Å²	87	122.5 Å²	122.5	57%	0.565	66%	0.658	S	S	*	*			trans	-133.4	-166.5	-177.3	44.5	-26.3	0	0	0	115.7	V1418	P1358-V1418 WeakPolarHBondContact O-CG2 3.44Å
1359	K	35.2	Very low	35.1	Very low	126 Å²	126	127.5 Å²	127.5	55%	0.548	68%	0.678	S	S	.	*			cis	-166.9	131.1	-34.4	174.7	176.2	-89.6	69.8	0	112.9	G1416	K1359-G1416 WeakPolarHBondContact CB-O 3.46Å; K1359-G1416 VanDerWaalsContact CE-O 3.26Å; K1359-G1416 WeakPolarHBondContact CE-O 3.47Å; K1359-G1416 VanDerWaalsContact CG-O 3.23Å; K1359-G1416 WeakPolarHBondContact CG-O 3.29Å; K1359-G1416 PolarHBondContact NZ-O 3.45Å
1360	R	33.9	Very low	35.3	Very low	178 Å²	178	128.1 Å²	128.1	67%	0.672	69%	0.685	S	S	*	*			trans	178.2	139.2	178.7	-107.8	171.1	177.6	-176.3	-0.9	115.7	Y1417 V1418 S1419	R1360-Y1417 CarbonylContact C-O 2.97Å; R1360-Y1417 VanDerWaalsContact C-O 3.32Å; R1360-Y1417 PolarHBondContact N-O 3.04Å; R1360-V1418 HydrophobicContact CB-CB 4.24Å; R1360-V1418 HydrophobicContact CB-CG1 3.95Å; R1360-V1418 HydrophobicContact CB-CG2 4.44Å; R1360-V1418 CarbonylContact O-C 2.93Å; R1360-V1418 VanDerWaalsContact O-CA 3.31Å; R1360-V1418 WeakPolarHBondContact O-CA 3.17Å; R1360-S1419 PolarHBondContact O-N 2.97Å
1361	K	34.9	Very low	35.3	Very low	132 Å²	132	125.5 Å²	125.5	57%	0.574	67%	0.668	S	S	*	*			trans	76.5	160	171.5	-68.5	180	-171.4	161.1	0	118.1	S1419	K1361-S1419 WeakPolarHBondContact CB-OG 3.3Å; K1361-S1419 WeakPolarHBondContact CD-O 3.37Å; K1361-S1419 WeakPolarHBondContact CE-O 3.28Å; K1361-S1419 PolarHBondContact NZ-O 3.42Å
1362	Q	35.6	Very low	35.4	Very low	171 Å²	171	122.8 Å²	122.8	80%	0.799	66%	0.66	S	S	*	*			cis	-157.9	-127.2	-21.7	-168.7	-124.6	32.1	0	0	114.1
1363	L	33.8	Very low	35.1	Very low	126 Å²	126	125.6 Å²	125.6	66%	0.66	67%	0.665	S	S	*	*			trans	-87.5	142.8	-156	-87.7	173.5	0	0	0	121.2
1364	N	33.4	Very low	35.2	Very low	126 Å²	126	123.1 Å²	123.1	67%	0.674	66%	0.664	S	S	*	*			trans	65.7	101.4	148.6	-75.8	-12.2	0	0	0	125.3
1365	F	30.3	Very low	34.7	Very low	190 Å²	190	124.1 Å²	124.1	83%	0.833	67%	0.671	S	S	*	*				67.2	120.5	127.9	-89.3	-86.1	0	0	0	124.3
1366	I	32.4	Very low	34.6	Very low	147 Å²	147	124.3 Å²	124.3	75%	0.754	67%	0.667	S	S	*	*			trans	86.3	87.9	153.4	-45.5	175.6	0	0	0	120.8
1367	S	35.2	Very low	35.1	Very low	106 Å²	106	122.4 Å²	122.4	74%	0.741	66%	0.662	S	S	*	*			trans	67.3	112.4	132.1	-50.5	0	0	0	0	125.6
1368	S	40	Very low	35.9	Very low	103 Å²	103	118.1 Å²	118.1	72%	0.72	64%	0.644	S	S	*	*			trans	84	111.8	132.6	47.6	0	0	0	0	127.1
1369	L	42.3	Very low	36.6	Very low	130 Å²	130	119.7 Å²	119.7	68%	0.681	65%	0.652	S	S	*	*			trans	73.5	116.3	137.1	-75.8	92.2	0	0	0	125.8	H1411 E1412	L1369-H1411 VanDerWaalsContact C-ND1 3.35Å; L1369-H1411 PolarHBondContact O-CE1 2.66Å; L1369-H1411 VanDerWaalsContact O-CE1 3.32Å; L1369-E1412 WeakPolarHBondContact CD2-OE1 3.33Å; L1369-E1412 WeakPolarHBondContact CG-OE1 3.14Å
1370	L	43.8	Very low	36.8	Very low	132 Å²	132	120 Å²	120	69%	0.691	67%	0.665	S	S	*	*			trans	125.6	121.2	134.6	43.3	81.5	0	0	0	112.1	F1410 H1411	L1370-F1410 CarbonylContact C-O 3.42Å; L1370-H1411 VanDerWaalsContact C-NE2 3.33Å; L1370-H1411 WeakPolarHBondContact CA-CD2 3.35Å; L1370-H1411 WeakPolarHBondContact CA-CE1 3.39Å; L1370-H1411 WeakPolarHBondContact CA-ND1 3.14Å; L1370-H1411 WeakPolarHBondContact CA-NE2 3.32Å; L1370-H1411 HydrophobicContact CB-CB 3.27Å; L1370-H1411 WeakPolarHBondContact CB-CD2 3.42Å; L1370-H1411 WeakPolarHBondContact CB-CE1 3.31Å; L1370-H1411 WeakPolarHBondContact CB-ND1 3.29Å; L1370-H1411 WeakPolarHBondContact CB-NE2 3.23Å; L1370-H1411 WeakPolarHBondContact CD1-CE1 3.19Å; L1370-H1411 VanDerWaalsContact CD1-NE2 3.27Å; L1370-H1411 WeakPolarHBondContact CD1-NE2 3.28Å; L1370-H1411 WeakPolarHBondContact CG-CE1 3.18Å; L1370-H1411 WeakPolarHBondContact CG-ND1 3.39Å; L1370-H1411 WeakPolarHBondContact CG-NE2 3.37Å; L1370-H1411 PolarHBondContact N-CE1 3.32Å; L1370-H1411 VanDerWaalsContact N-CG 3.25Å; L1370-H1411 PolarHBondContact N-ND1 2.65Å
1371	G	36	Very low	37	Very low	11 Å²	11	118.2 Å²	118.2	11%	0.113	67%	0.667	C	S	.	*			trans	-176.2	-178.2	152	0	0	0	0	0	117.5	Y1409 F1410 H1411	G1371-Y1409 CarbonylContact C-O 3.51Å; G1371-F1410 VanDerWaalsContact C-N 3.28Å; G1371-F1410 VanDerWaalsContact CA-C 3.49Å; G1371-F1410 PolarHBondContact N-O 2.97Å; G1371-F1410 CarbonylContact O-C 3.08Å; G1371-H1411 PolarHBondContact N-CD2 2.81Å; G1371-H1411 WeakPolarHBondContact O-CA 3.03Å; G1371-H1411 VanDerWaalsContact O-CB 3.28Å; G1371-H1411 WeakPolarHBondContact O-CB 2.99Å; G1371-H1411 PolarHBondContact O-N 2.59Å
1372	S	35.4	Very low	36.7	Very low	65 Å²	65	122.6 Å²	122.6	46%	0.455	68%	0.68	S	S	.	*			trans	-158.4	-166.1	177	-74.1	0	0	0	0	117.5	Y1409	S1372-Y1409 CarbonylContact C-O 3.09Å; S1372-Y1409 VanDerWaalsContact CA-O 3.3Å; S1372-Y1409 WeakPolarHBondContact CA-O 3.27Å; S1372-Y1409 PolarHBondContact N-O 3.16Å; S1372-Y1409 WeakPolarHBondContact O-CA 3.39Å; S1372-Y1409 VanDerWaalsContact O-CB 3.27Å; S1372-Y1409 WeakPolarHBondContact O-CB 3.35Å; S1372-Y1409 PolarHBondContact O-N 3.36Å; S1372-Y1409 VanDerWaalsContact O-N 3.07Å
1373	E	27.7	Very low	36.7	Very low	169 Å²	169	121 Å²	121	79%	0.79	68%	0.682	S	S	*	*			trans	101.3	102.7	150.5	-60.3	130.6	97.9	0	0	123.3
1374	P	39.3	Very low	36.7	Very low	120 Å²	120	121 Å²	121	78%	0.779	69%	0.693	S	S	*	*			trans	-129.8	-175	172.5	44.2	-30.8	0	0	0	115
1375	V	28.2	Very low	36.8	Very low	139 Å²	139	119.4 Å²	119.4	84%	0.842	70%	0.697	S	S	*	*			cis	-164.7	170.4	-28.6	-83.8	0	0	0	0	110
1376	V	33.8	Very low	36.9	Very low	123 Å²	123	115.1 Å²	115.1	75%	0.745	68%	0.683	S	S	*	*			trans	-154.2	168.9	-178.4	-64.8	0	0	0	0	117.1	S1435	V1376-S1435 WeakPolarHBondContact CB-OG 3.41Å; V1376-S1435 WeakPolarHBondContact CG2-OG 3.48Å
1377	G	42.8	Very low	36.9	Very low	58 Å²	58	113.7 Å²	113.7	60%	0.598	68%	0.681	S	S	*	*			trans	-150.7	173.6	177.3	0	0	0	0	0	116.3	S1435	G1377-S1435 WeakPolarHBondContact O-CB 3.48Å; G1377-S1435 PolarHBondContact O-OG 2.8Å
1378	S	49.6	Very low	36.8	Very low	42 Å²	42	112.8 Å²	112.8	29%	0.294	68%	0.675	S	S	.	*			trans	-123.1	-139.1	-151.6	99.1	0	0	0	0	121.6	S1435 N1436 D1437	S1378-S1435 VanDerWaalsContact CB-C 3.43Å; S1378-S1435 VanDerWaalsContact CB-O 3.24Å; S1378-S1435 WeakPolarHBondContact CB-O 3.31Å; S1378-N1436 VanDerWaalsContact CB-C 3.43Å; S1378-N1436 VanDerWaalsContact OG-C 3.29Å; S1378-N1436 PolarHBondContact OG-O 2.98Å; S1378-D1437 WeakPolarHBondContact OG-CB 3.17Å; S1378-D1437 PolarHBondContact OG-N 3.45Å; S1378-D1437 PolarHBondContact OG-OD2 3.1Å
1379	T	44.5	Very low	36.7	Very low	120 Å²	120	114.4 Å²	114.4	74%	0.736	68%	0.675	S	S	*	*			trans	81.5	160.2	-171.4	73.5	0	0	0	0	117
1380	V	39.7	Very low	36.5	Very low	133 Å²	133	114.9 Å²	114.9	81%	0.806	68%	0.677	S	S	*	*			cis	-142.2	-174.5	5.8	-137.4	0	0	0	0	111.8
1381	L	37.5	Very low	36.4	Very low	139 Å²	139	113.2 Å²	113.2	73%	0.728	67%	0.674	S	S	*	*			trans	-135	143.3	-171.7	-61.3	175.5	0	0	0	116.4
1382	R	30.4	Very low	36.5	Very low	225 Å²	225	117.4 Å²	117.4	85%	0.849	70%	0.697	S	S	*	*			cis	-160.5	157.4	40.2	0.8	67.5	-132.9	-138.4	3.1	110.3
1383	T	33.8	Very low	36.6	Very low	137 Å²	137	119.3 Å²	119.3	84%	0.84	71%	0.71	S	S	*	*			cis	-168.4	176.1	-6.5	17	0	0	0	0	109.7
1384	S	34	Very low	36.6	Very low	127 Å²	127	120.6 Å²	120.6	89%	0.888	71%	0.708	S	S	*	*			trans	-143.1	176.1	-174.7	69.5	0	0	0	0	116.4
1385	A	36	Very low	36.3	Very low	91 Å²	91	120.5 Å²	120.5	75%	0.752	71%	0.707	S	S	*	*			trans	-152.6	154.7	-177.8	0	0	0	0	0	117.8
1386	D	33.1	Very low	36.4	Very low	100 Å²	100	118 Å²	118	54%	0.535	69%	0.688	S	S	.	*			trans	80.9	107.3	160.6	-88.1	16.2	0	0	0	123.6	R1451	D1386-R1451 IonicContact OD1-NH2 3.88Å; D1386-R1451 PolarHBondContact OD1-NH2 2.71Å; D1386-R1451 IonicContact OD2-CZ 2.68Å; D1386-R1451 IonicContact OD2-NH1 2.71Å; D1386-R1451 PolarHBondContact OD2-NH1 2.66Å; D1386-R1451 IonicContact OD2-NH2 3.64Å; D1386-R1451 PolarHBondContact OD2-NH2 2.74Å
1387	V	32.8	Very low	36.8	Very low	118 Å²	118	121.4 Å²	121.4	72%	0.715	69%	0.689	S	S	*	*				87.9	88.9	122.1	177.5	0	0	0	0	120.7
1388	S	32.4	Very low	36.4	Very low	87 Å²	87	121.7 Å²	121.7	61%	0.608	68%	0.679	S	S	*	*				120.6	149.4	101.6	71.6	0	0	0	0	122.4
1389	N	38.1	Very low	35.8	Very low	136 Å²	136	122.2 Å²	122.2	73%	0.727	68%	0.681	S	S	*	*			trans	79.7	140	154.1	-62.4	-47.3	0	0	0	118.3
1390	I	37.9	Very low	35.8	Very low	140 Å²	140	119.2 Å²	119.2	72%	0.718	66%	0.658	S	S	*	*			cis	163.6	159.8	-9.6	-128.8	173.1	0	0	0	103.8
1391	P	41.7	Very low	35.9	Very low	97 Å²	97	115.4 Å²	115.4	63%	0.63	65%	0.646	S	S	*	*			cis	-134.6	157	-6.7	36.2	-17.5	0	0	0	116.9
1392	V	39	Very low	35.8	Very low	99 Å²	99	112.3 Å²	112.3	60%	0.6	63%	0.628	S	S	*	*				32.6	123.2	119.5	-156.1	0	0	0	0	116.7	R1394	V1392-R1394 HydrophobicContact CG1-CG 4.36Å
1393	S	35.6	Very low	36.4	Very low	105 Å²	105	107.3 Å²	107.3	73%	0.734	62%	0.617	S	S	*	*				-161.9	140.5	65.2	-45.8	0	0	0	0	109.4
1394	R	28.6	Very low	36.1	Very low	197 Å²	197	102.8 Å²	102.8	74%	0.743	59%	0.587	S	S	*	*				58.1	139.9	56.2	-63.4	-176.4	173.4	-178.8	-2.7	113.4	V1392 I1396	V1392-R1394 HydrophobicContact CG1-CG 4.36Å; R1394-I1396 HydrophobicContact CB-CD1 4.43Å; R1394-I1396 HydrophobicContact CB-CG1 4.09Å; R1394-I1396 HydrophobicContact CG-CD1 4.4Å; R1394-I1396 HydrophobicContact CG-CG1 3.91Å
1395	P	32.5	Very low	36.6	Very low	117 Å²	117	99.1 Å²	99.1	76%	0.76	56%	0.56	S	S	*	*			cis	-129.8	162.2	16.2	41.2	-26.6	0	0	0	117.1
1396	I	29.8	Very low	36.3	Very low	86 Å²	86	98.6 Å²	98.6	44%	0.441	55%	0.547	S	S	.	.	S	Bend	cis	-168.3	144.4	-22.8	-101	153.1	0	0	0	101.6	R1394	R1394-I1396 HydrophobicContact CB-CD1 4.43Å; R1394-I1396 HydrophobicContact CB-CG1 4.09Å; R1394-I1396 HydrophobicContact CG-CD1 4.4Å; R1394-I1396 HydrophobicContact CG-CG1 3.91Å
1397	Y	42.9	Very low	36.7	Very low	196 Å²	196	100.6 Å²	100.6	77%	0.769	55%	0.554	S	S	*	*	S	Bend	trans	64.2	76.7	-162	-38.7	-56.9	0	0	0	107.7	E372	E372-Y1397 VanDerWaalsContact OE1-C 3.28Å; E372-Y1397 WeakPolarHBondContact OE2-CA 3.36Å
1398	T	33.7	Very low	36.9	Very low	63 Å²	63	104.5 Å²	104.5	39%	0.387	56%	0.555	S	S	.	*			trans	-157.6	73.7	158.3	55.5	0	0	0	0	108.6	E372 R373	E372-T1398 WeakPolarHBondContact OE1-CA 3.44Å; E372-T1398 WeakPolarHBondContact OE2-CA 3.4Å; E372-T1398 PolarHBondContact OE2-N 3.46Å; R373-T1398 VanDerWaalsContact CZ-CG2 3.45Å
1399	T	38.5	Very low	37.5	Very low	53 Å²	53	108.3 Å²	108.3	33%	0.325	56%	0.558	S	S	.	*			trans	-150.9	137.2	168.1	43.7	0	0	0	0	112.7	E370 E372	E370-T1399 WeakPolarHBondContact CB-O 3.34Å; E370-T1399 VanDerWaalsContact OE2-CB 3.32Å; E370-T1399 WeakPolarHBondContact OE2-CB 3.09Å; E370-T1399 PolarHBondContact OE2-OG1 3.35Å; E372-T1399 PolarHBondContact OE2-N 3.25Å
1400	E	44.4	Very low	37.5	Very low	57 Å²	57	109.3 Å²	109.3	27%	0.266	56%	0.556	S	S	.	*				179.9	129.4	-50.2	-98.3	176.9	124.9	0	0	110.5	S1427 C1428	E1400-S1427 VanDerWaalsContact CB-N 3.27Å; E1400-S1427 WeakPolarHBondContact OE1-CA 3.05Å; E1400-S1427 WeakPolarHBondContact OE1-CB 3.41Å; E1400-S1427 PolarHBondContact OE1-N 2.86Å; E1400-S1427 VanDerWaalsContact OE1-N 3.09Å; E1400-S1427 PolarHBondContact OE1-OG 3.09Å; E1400-C1428 VanDerWaalsContact CB-N 3.27Å; E1400-C1428 WeakPolarHBondContact OE2-CB 3.24Å; E1400-C1428 PolarHBondContact OE2-N 2.85Å
1401	G	41.7	Very low	37.8	Very low	54 Å²	54	106 Å²	106	56%	0.557	54%	0.537	S	S	*	.			trans	-84.5	-111.8	172.9	0	0	0	0	0	115.4
1402	H	36	Very low	37.9	Very low	74 Å²	74	105.2 Å²	105.2	34%	0.343	53%	0.525	S	S	.	.			trans	76.5	147.7	173	-135.6	-122.1	0	0	0	109.9	K1425 G1426 S1427	H1402-K1425 HydrophobicContact CB-CG 4.39Å; H1402-K1425 WeakPolarHBondContact CD2-CB 3.16Å; H1402-K1425 WeakPolarHBondContact CD2-CG 3.41Å; H1402-K1425 VanDerWaalsContact CG-CG 3.44Å; H1402-K1425 WeakPolarHBondContact NE2-CD 3.11Å; H1402-K1425 WeakPolarHBondContact NE2-CG 3.22Å; H1402-G1426 VanDerWaalsContact CB-CA 3.48Å; H1402-G1426 VanDerWaalsContact CD2-CA 3.48Å; H1402-G1426 WeakPolarHBondContact CD2-CA 3.23Å; H1402-G1426 PolarHBondContact CD2-N 3.44Å; H1402-G1426 PolarHBondContact CD2-O 3.23Å; H1402-G1426 VanDerWaalsContact CG-C 3.49Å; H1402-S1427 VanDerWaalsContact CE1-CB 3.42Å; H1402-S1427 WeakPolarHBondContact CE1-CB 3.16Å; H1402-S1427 WeakPolarHBondContact ND1-CA 3.36Å
1403	I	43.2	Very low	38	Very low	119 Å²	119	105.1 Å²	105.1	61%	0.61	53%	0.527	S	S	*	.			cis	-157.1	125.7	29.4	-74.1	143.9	0	0	0	106.6
1404	N	26.7	Very low	38.1	Very low	42 Å²	42	105.9 Å²	105.9	23%	0.225	52%	0.521	C	S	.	.			cis	61.7	166.5	49.8	-85.6	33.2	0	0	0	117.4	I1423 S1424 K1425	N1404-I1423 HydrophobicContact CB-CG2 4.39Å; N1404-I1423 VanDerWaalsContact ND2-CA 3.28Å; N1404-I1423 WeakPolarHBondContact ND2-CA 3.11Å; N1404-I1423 WeakPolarHBondContact ND2-CB 3.41Å; N1404-I1423 WeakPolarHBondContact ND2-CG2 3.31Å; N1404-S1424 WeakPolarHBondContact ND2-CA 3.23Å; N1404-S1424 PolarHBondContact ND2-N 2.97Å; N1404-S1424 PolarHBondContact OD1-N 2.72Å; N1404-S1424 VanDerWaalsContact OD1-N 3.1Å; N1404-K1425 HydrophobicContact CB-CD 3.94Å; N1404-K1425 HydrophobicContact CB-CG 3.58Å; N1404-K1425 VanDerWaalsContact ND2-CG 3.27Å; N1404-K1425 WeakPolarHBondContact ND2-CG 3.08Å; N1404-K1425 PolarHBondContact ND2-N 3.41Å; N1404-K1425 VanDerWaalsContact ND2-N 3.18Å; N1404-K1425 PolarHBondContact OD1-N 3.34Å
1405	T	44.4	Very low	38.6	Very low	50 Å²	50	105.1 Å²	105.1	31%	0.307	53%	0.526	S	S	.	.			trans	58.4	98.8	161.9	38.4	0	0	0	0	114.1	K1425	T1405-K1425 WeakPolarHBondContact OG1-CE 3.14Å; T1405-K1425 PolarHBondContact OG1-NZ 3.2Å
1406	T	29.9	Very low	39.1	Very low	81 Å²	81	101 Å²	101	50%	0.497	50%	0.504	S	S	.	.			cis	42.3	74.9	46.5	-56.4	0	0	0	0	111.1	F1420 Q1422 I1423	T1406-F1420 HydrophobicContact CG2-CE2 4.27Å; T1406-Q1422 PolarHBondContact OG1-OE1 2.79Å; T1406-I1423 HydrophobicContact CG2-CD1 4.26Å
1407	Q	40.1	Very low	39.2	Very low	142 Å²	142	103.3 Å²	103.3	66%	0.664	51%	0.509	S	S	*	.			trans	-157.2	124.1	155.7	-117.9	171.4	60.8	0	0	111.6
1408	R	37.4	Very low	39.1	Very low	199 Å²	199	97.2 Å²	97.2	75%	0.751	49%	0.492	S	S	*	.			trans	33.3	130	131.6	-55.3	172.4	-170.5	147.1	1.6	116.5
1409	Y	45.3	Very low	39.4	Very low	168 Å²	168	96.9 Å²	96.9	66%	0.659	49%	0.492	S	S	*	.			cis	-133.3	156.6	47.8	-88.2	-101.3	0	0	0	113.3	G1371 S1372	G1371-Y1409 CarbonylContact C-O 3.51Å; S1372-Y1409 CarbonylContact C-O 3.09Å; S1372-Y1409 VanDerWaalsContact CA-O 3.3Å; S1372-Y1409 WeakPolarHBondContact CA-O 3.27Å; S1372-Y1409 PolarHBondContact N-O 3.16Å; S1372-Y1409 WeakPolarHBondContact O-CA 3.39Å; S1372-Y1409 VanDerWaalsContact O-CB 3.27Å; S1372-Y1409 WeakPolarHBondContact O-CB 3.35Å; S1372-Y1409 PolarHBondContact O-N 3.36Å; S1372-Y1409 VanDerWaalsContact O-N 3.07Å
1410	F	39	Very low	39.3	Very low	156 Å²	156	99.5 Å²	99.5	68%	0.684	50%	0.499	S	S	*	.			trans	-139.7	111.8	-169.9	-179.4	-100	0	0	0	117.7	L1370 G1371	L1370-F1410 CarbonylContact C-O 3.42Å; G1371-F1410 VanDerWaalsContact C-N 3.28Å; G1371-F1410 VanDerWaalsContact CA-C 3.49Å; G1371-F1410 PolarHBondContact N-O 2.97Å; G1371-F1410 CarbonylContact O-C 3.08Å
1411	H	42.8	Very low	39.1	Very low	70 Å²	70	102.1 Å²	102.1	32%	0.324	52%	0.521	S	S	.	.			trans	-140	150.1	163.3	-87.3	-65.5	0	0	0	103.1	L1369 L1370 G1371	L1369-H1411 VanDerWaalsContact C-ND1 3.35Å; L1369-H1411 PolarHBondContact O-CE1 2.66Å; L1369-H1411 VanDerWaalsContact O-CE1 3.32Å; L1370-H1411 VanDerWaalsContact C-NE2 3.33Å; L1370-H1411 WeakPolarHBondContact CA-CD2 3.35Å; L1370-H1411 WeakPolarHBondContact CA-CE1 3.39Å; L1370-H1411 WeakPolarHBondContact CA-ND1 3.14Å; L1370-H1411 WeakPolarHBondContact CA-NE2 3.32Å; L1370-H1411 HydrophobicContact CB-CB 3.27Å; L1370-H1411 WeakPolarHBondContact CB-CD2 3.42Å; L1370-H1411 WeakPolarHBondContact CB-CE1 3.31Å; L1370-H1411 WeakPolarHBondContact CB-ND1 3.29Å; L1370-H1411 WeakPolarHBondContact CB-NE2 3.23Å; L1370-H1411 WeakPolarHBondContact CD1-CE1 3.19Å; L1370-H1411 VanDerWaalsContact CD1-NE2 3.27Å; L1370-H1411 WeakPolarHBondContact CD1-NE2 3.28Å; L1370-H1411 WeakPolarHBondContact CG-CE1 3.18Å; L1370-H1411 WeakPolarHBondContact CG-ND1 3.39Å; L1370-H1411 WeakPolarHBondContact CG-NE2 3.37Å; L1370-H1411 PolarHBondContact N-CE1 3.32Å; L1370-H1411 VanDerWaalsContact N-CG 3.25Å; L1370-H1411 PolarHBondContact N-ND1 2.65Å; G1371-H1411 PolarHBondContact N-CD2 2.81Å; G1371-H1411 WeakPolarHBondContact O-CA 3.03Å; G1371-H1411 VanDerWaalsContact O-CB 3.28Å; G1371-H1411 WeakPolarHBondContact O-CB 2.99Å; G1371-H1411 PolarHBondContact O-N 2.59Å
1412	E	44.8	Very low	38.7	Very low	82 Å²	82	104.6 Å²	104.6	38%	0.383	52%	0.518	S	S	.	.	S	Bend	cis	-167.8	166.1	-14.4	-126.1	-176.4	-142	0	0	107.5	L1369	L1369-E1412 WeakPolarHBondContact CD2-OE1 3.33Å; L1369-E1412 WeakPolarHBondContact CG-OE1 3.14Å
1413	P	41.9	Very low	38.5	Very low	97 Å²	97	104.9 Å²	104.9	63%	0.63	52%	0.521	S	S	*	.			cis	-117.9	172.8	-47.7	12.2	10.8	0	0	0	110.5
1414	I	37.1	Very low	38.6	Very low	121 Å²	121	104.6 Å²	104.6	62%	0.621	53%	0.53	S	S	*	.			cis	-166.3	168	-16	-106.3	168	0	0	0	107
1415	E	38.4	Very low	39.3	Very low	180 Å²	180	106.9 Å²	106.9	84%	0.841	54%	0.538	S	S	*	.			trans	65.7	104.3	170.4	-81.3	158	-144.4	0	0	117.4
1416	G	44	Very low	39.5	Very low	30 Å²	30	105.9 Å²	105.9	31%	0.309	54%	0.538	S	S	.	.			cis	171.2	147.4	7.8	0	0	0	0	0	109.4	K1359	K1359-G1416 WeakPolarHBondContact CB-O 3.46Å; K1359-G1416 VanDerWaalsContact CE-O 3.26Å; K1359-G1416 WeakPolarHBondContact CE-O 3.47Å; K1359-G1416 VanDerWaalsContact CG-O 3.23Å; K1359-G1416 WeakPolarHBondContact CG-O 3.29Å; K1359-G1416 PolarHBondContact NZ-O 3.45Å
1417	Y	30.3	Very low	40.2	Very low	135 Å²	135	104.1 Å²	104.1	53%	0.529	53%	0.529	S	S	.	.			trans	-129.3	176.7	-149.6	-122.7	-98	0	0	0	116.3	S1356 I1357 R1360	S1356-Y1417 PolarHBondContact O-OH 3.38Å; I1357-Y1417 WeakPolarHBondContact O-CE2 3.27Å; I1357-Y1417 PolarHBondContact O-OH 3.11Å; R1360-Y1417 CarbonylContact C-O 2.97Å; R1360-Y1417 VanDerWaalsContact C-O 3.32Å; R1360-Y1417 PolarHBondContact N-O 3.04Å
1418	V	42.6	Very low	40.4	Very low	69 Å²	69	100.2 Å²	100.2	42%	0.418	52%	0.516	S	S	.	.			trans	-81.3	166	179.6	-166.7	0	0	0	0	112.8	P1358 R1360	P1358-V1418 WeakPolarHBondContact O-CG2 3.44Å; R1360-V1418 HydrophobicContact CB-CB 4.24Å; R1360-V1418 HydrophobicContact CB-CG1 3.95Å; R1360-V1418 HydrophobicContact CB-CG2 4.44Å; R1360-V1418 CarbonylContact O-C 2.93Å; R1360-V1418 VanDerWaalsContact O-CA 3.31Å; R1360-V1418 WeakPolarHBondContact O-CA 3.17Å
1419	S	38.7	Very low	40.8	Very low	55 Å²	55	95.9 Å²	95.9	39%	0.385	51%	0.508	S	S	.	.			trans	-165.5	158	160.8	45.4	0	0	0	0	111.2	R1360 K1361	R1360-S1419 PolarHBondContact O-N 2.97Å; K1361-S1419 WeakPolarHBondContact CB-OG 3.3Å; K1361-S1419 WeakPolarHBondContact CD-O 3.37Å; K1361-S1419 WeakPolarHBondContact CE-O 3.28Å; K1361-S1419 PolarHBondContact NZ-O 3.42Å
1420	F	36.3	Very low	40.7	Very low	108 Å²	108	94.5 Å²	94.5	47%	0.474	51%	0.505	S	S	.	.			cis	-170.3	162.3	-26.2	-162.7	24.9	0	0	0	105.1	T1406 Q1422	T1406-F1420 HydrophobicContact CG2-CE2 4.27Å; F1420-Q1422 HydrophobicContact CE1-CB 3.72Å; F1420-Q1422 HydrophobicContact CE2-CB 3.83Å; F1420-Q1422 HydrophobicContact CZ-CB 3.34Å; F1420-Q1422 HydrophobicContact CZ-CG 4.2Å
1421	P	40.9	Very low	40.5	Very low	112 Å²	112	94.9 Å²	94.9	73%	0.727	51%	0.509	S	S	*	.				-143.7	174.6	99.3	39.4	-24.4	0	0	0	115.2
1422	Q	32.6	Very low	40.2	Very low	106 Å²	106	97.8 Å²	97.8	50%	0.495	53%	0.526	S	S	.	.			trans	-175	165	175.5	-172.9	-166.6	81.2	0	0	108	T1406 F1420	T1406-Q1422 PolarHBondContact OG1-OE1 2.79Å; F1420-Q1422 HydrophobicContact CE1-CB 3.72Å; F1420-Q1422 HydrophobicContact CE2-CB 3.83Å; F1420-Q1422 HydrophobicContact CZ-CB 3.34Å; F1420-Q1422 HydrophobicContact CZ-CG 4.2Å
1423	I	32.9	Very low	39.5	Very low	80 Å²	80	101.2 Å²	101.2	41%	0.41	54%	0.542	S	S	.	.			trans	110.9	99.4	148.1	-59.6	169.3	0	0	0	118.2	N1404 T1406	N1404-I1423 HydrophobicContact CB-CG2 4.39Å; N1404-I1423 VanDerWaalsContact ND2-CA 3.28Å; N1404-I1423 WeakPolarHBondContact ND2-CA 3.11Å; N1404-I1423 WeakPolarHBondContact ND2-CB 3.41Å; N1404-I1423 WeakPolarHBondContact ND2-CG2 3.31Å; T1406-I1423 HydrophobicContact CG2-CD1 4.26Å
1424	S	45.3	Very low	38.8	Very low	114 Å²	114	104.8 Å²	104.8	80%	0.797	55%	0.548	S	S	*	.			trans	-163	67.7	143.9	-150.5	0	0	0	0	123	N1404	N1404-S1424 WeakPolarHBondContact ND2-CA 3.23Å; N1404-S1424 PolarHBondContact ND2-N 2.97Å; N1404-S1424 PolarHBondContact OD1-N 2.72Å; N1404-S1424 VanDerWaalsContact OD1-N 3.1Å
1425	K	40.5	Very low	38.4	Very low	90 Å²	90	100.8 Å²	100.8	39%	0.391	53%	0.531	S	S	.	.				43.2	136.5	126.4	-87.3	178.3	169.2	173.4	0	128.3	H1402 N1404 T1405	H1402-K1425 HydrophobicContact CB-CG 4.39Å; H1402-K1425 WeakPolarHBondContact CD2-CB 3.16Å; H1402-K1425 WeakPolarHBondContact CD2-CG 3.41Å; H1402-K1425 VanDerWaalsContact CG-CG 3.44Å; H1402-K1425 WeakPolarHBondContact NE2-CD 3.11Å; H1402-K1425 WeakPolarHBondContact NE2-CG 3.22Å; N1404-K1425 HydrophobicContact CB-CD 3.94Å; N1404-K1425 HydrophobicContact CB-CG 3.58Å; N1404-K1425 VanDerWaalsContact ND2-CG 3.27Å; N1404-K1425 WeakPolarHBondContact ND2-CG 3.08Å; N1404-K1425 PolarHBondContact ND2-N 3.41Å; N1404-K1425 VanDerWaalsContact ND2-N 3.18Å; N1404-K1425 PolarHBondContact OD1-N 3.34Å; T1405-K1425 WeakPolarHBondContact OG1-CE 3.14Å; T1405-K1425 PolarHBondContact OG1-NZ 3.2Å
1426	G	48.2	Very low	38.2	Very low	29 Å²	29	99 Å²	99	30%	0.299	53%	0.527	S	S	.	.			trans	-102.4	-117.1	158	0	0	0	0	0	120.5	H1402	H1402-G1426 VanDerWaalsContact CB-CA 3.48Å; H1402-G1426 VanDerWaalsContact CD2-CA 3.48Å; H1402-G1426 WeakPolarHBondContact CD2-CA 3.23Å; H1402-G1426 PolarHBondContact CD2-N 3.44Å; H1402-G1426 PolarHBondContact CD2-O 3.23Å; H1402-G1426 VanDerWaalsContact CG-C 3.49Å
1427	S	45.9	Very low	37.9	Very low	44 Å²	44	103.5 Å²	103.5	31%	0.308	54%	0.544	S	S	.	.				-156.7	-37.1	118.9	2.5	0	0	0	0	127.5	E1400 H1402	E1400-S1427 VanDerWaalsContact CB-N 3.27Å; E1400-S1427 WeakPolarHBondContact OE1-CA 3.05Å; E1400-S1427 WeakPolarHBondContact OE1-CB 3.41Å; E1400-S1427 PolarHBondContact OE1-N 2.86Å; E1400-S1427 VanDerWaalsContact OE1-N 3.09Å; E1400-S1427 PolarHBondContact OE1-OG 3.09Å; H1402-S1427 VanDerWaalsContact CE1-CB 3.42Å; H1402-S1427 WeakPolarHBondContact CE1-CB 3.16Å; H1402-S1427 WeakPolarHBondContact ND1-CA 3.36Å
1428	C	43.3	Very low	38.4	Very low	59 Å²	59	108.3 Å²	108.3	40%	0.399	56%	0.561	S	S	.	*			trans	-147	172.4	-157.2	-49.4	0	0	0	0	117.6	E1400	E1400-C1428 VanDerWaalsContact CB-N 3.27Å; E1400-C1428 WeakPolarHBondContact OE2-CB 3.24Å; E1400-C1428 PolarHBondContact OE2-N 2.85Å
1429	D	46.1	Very low	38.2	Very low	108 Å²	108	108.7 Å²	108.7	58%	0.578	57%	0.571	S	S	*	*			cis	-160.7	138.4	25.6	-145.3	3.9	0	0	0	120.1
1430	K	43.4	Very low	38.2	Very low	140 Å²	140	115.6 Å²	115.6	61%	0.609	60%	0.595	S	S	*	*			trans	64.5	105.1	151.5	-81.3	158.5	-168	77.1	0	123.2
1431	Q	34	Very low	38.3	Very low	164 Å²	164	114.7 Å²	114.7	77%	0.766	60%	0.601	S	S	*	*				65.5	134.4	110.9	-71.7	172.5	11.5	0	0	120
1432	L	36.9	Very low	37.9	Very low	131 Å²	131	112.4 Å²	112.4	69%	0.686	59%	0.588	S	S	*	*			cis	-138.4	164.1	4	-71.4	96.8	0	0	0	110.7
1433	E	29.5	Very low	38.5	Very low	154 Å²	154	110.4 Å²	110.4	72%	0.72	59%	0.585	S	S	*	*	S	Bend	trans	53.9	110.9	148.1	-72.6	170.3	164.9	0	0	117.6
1434	F	27.9	Very low	38.8	Very low	172 Å²	172	112.3 Å²	112.3	75%	0.754	61%	0.605	S	S	*	*	S	Bend	cis	-144	137.5	10.4	-95.9	-91.5	0	0	0	112.3
1435	S	28.1	Very low	38.3	Very low	36 Å²	36	111.6 Å²	111.6	25%	0.252	60%	0.6	S	S	.	*			trans	57.3	153.1	158.1	-51	0	0	0	0	119.5	V1376 G1377 S1378	V1376-S1435 WeakPolarHBondContact CB-OG 3.41Å; V1376-S1435 WeakPolarHBondContact CG2-OG 3.48Å; G1377-S1435 WeakPolarHBondContact O-CB 3.48Å; G1377-S1435 PolarHBondContact O-OG 2.8Å; S1378-S1435 VanDerWaalsContact CB-C 3.43Å; S1378-S1435 VanDerWaalsContact CB-O 3.24Å; S1378-S1435 WeakPolarHBondContact CB-O 3.31Å
1436	N	35.2	Very low	38.5	Very low	143 Å²	143	114.9 Å²	114.9	77%	0.765	62%	0.62	S	S	*	*			trans	-102.2	128.3	-156.4	-65.6	-9.2	0	0	0	115.8	S1378	S1378-N1436 VanDerWaalsContact CB-C 3.43Å; S1378-N1436 VanDerWaalsContact OG-C 3.29Å; S1378-N1436 PolarHBondContact OG-O 2.98Å
1437	D	36.7	Very low	38	Very low	124 Å²	124	119.5 Å²	119.5	66%	0.663	64%	0.638	S	S	*	*			trans	-141.4	110.6	141.3	-87.1	-66.8	0	0	0	109.2	S1378	S1378-D1437 WeakPolarHBondContact OG-CB 3.17Å; S1378-D1437 PolarHBondContact OG-N 3.45Å; S1378-D1437 PolarHBondContact OG-OD2 3.1Å
1438	R	41.2	Very low	38	Very low	237 Å²	237	124.3 Å²	124.3	89%	0.894	66%	0.659	S	S	*	*			trans	-175.7	117.1	166.7	-116.1	179.4	164.9	108.4	-1.5	108.8
1439	A	38.9	Very low	37.8	Very low	76 Å²	76	126.9 Å²	126.9	63%	0.628	67%	0.665	S	S	*	*			cis	72.9	144.5	26.2	0	0	0	0	0	116.1
1440	K	37.7	Very low	37.9	Very low	201 Å²	201	128.4 Å²	128.4	87%	0.874	67%	0.667	S	S	*	*			trans	76.3	156.3	150.3	-80.7	166.6	-175.1	174.6	0	117.3
1441	S	38.3	Very low	37.8	Very low	88 Å²	88	128.5 Å²	128.5	62%	0.615	66%	0.663	S	S	*	*			cis	-152.6	-150.3	-2.2	40.7	0	0	0	0	110.7
1442	S	34.3	Very low	37.9	Very low	65 Å²	65	127 Å²	127	46%	0.455	66%	0.659	S	S	.	*				173.5	-179.9	71.7	-67.3	0	0	0	0	110.1
1443	P	44	Very low	37.8	Very low	64 Å²	64	129.9 Å²	129.9	42%	0.416	67%	0.667	S	S	.	*				-143.6	-180	-65.9	43.4	-26.8	0	0	0	114.1	E367 Q368	E367-P1443 WeakPolarHBondContact O-CD 3.39Å; Q368-P1443 HydrophobicContact CB-CG 4.47Å
1444	S	38.6	Very low	38	Very low	120 Å²	120	128.8 Å²	128.8	84%	0.839	67%	0.671	S	S	*	*				-163.5	176.7	124.9	59.7	0	0	0	0	111.1
1445	S	36.2	Very low	37.8	Very low	98 Å²	98	125.3 Å²	125.3	69%	0.685	67%	0.668	S	S	*	*			trans	-160.5	-174.3	-143.4	-56.1	0	0	0	0	114
1446	I	43.6	Very low	37.9	Very low	160 Å²	160	130.8 Å²	130.8	82%	0.821	69%	0.694	S	S	*	*			trans	104.9	134.2	157.6	-62.4	164.6	0	0	0	115.8
1447	N	37.3	Very low	37.8	Very low	125 Å²	125	132 Å²	132	67%	0.668	70%	0.695	S	S	*	*			cis	-175	-177.8	-24.9	-142.9	-57.3	0	0	0	110.9
1448	L	46.5	Very low	37.7	Very low	145 Å²	145	132.1 Å²	132.1	76%	0.759	70%	0.696	S	S	*	*			trans	77.9	154.8	150.2	-116.8	59.6	0	0	0	119.1
1449	E	39.5	Very low	37.1	Very low	113 Å²	113	127 Å²	127	53%	0.528	69%	0.69	S	S	.	*				178.3	152.8	-60.4	-112.8	-155.4	118.2	0	0	109.8
1450	K	48.5	Very low	36.9	Very low	140 Å²	140	129.6 Å²	129.6	61%	0.609	70%	0.698	S	S	*	*			trans	66.6	154.8	148.9	-71.7	168.5	169.6	126.5	0	119.3
1451	R	40	Very low	36.6	Very low	142 Å²	142	124.9 Å²	124.9	54%	0.536	69%	0.691	S	S	.	*			cis	-175	163.6	-25.4	-164.4	178.5	-78	-165	-1.9	108.2	D1386	D1386-R1451 IonicContact OD1-NH2 3.88Å; D1386-R1451 PolarHBondContact OD1-NH2 2.71Å; D1386-R1451 IonicContact OD2-CZ 2.68Å; D1386-R1451 IonicContact OD2-NH1 2.71Å; D1386-R1451 PolarHBondContact OD2-NH1 2.66Å; D1386-R1451 IonicContact OD2-NH2 3.64Å; D1386-R1451 PolarHBondContact OD2-NH2 2.74Å
1452	I	37.6	Very low	36.2	Very low	133 Å²	133	125.9 Å²	125.9	68%	0.682	70%	0.698	S	S	*	*			trans	85.8	101.8	160.8	-45.7	173.7	0	0	0	117.9
1453	K	34	Very low	36.2	Very low	192 Å²	192	127.5 Å²	127.5	84%	0.835	71%	0.709	S	S	*	*			trans	61.8	144.4	151.2	-62.2	172.8	-177	174.2	0	119.5
1454	T	34.4	Very low	35.9	Very low	131 Å²	131	132.1 Å²	132.1	80%	0.804	73%	0.73	S	S	*	*	S	Bend	trans	-61.7	159.9	157.4	54	0	0	0	0	112
1455	S	23.7	Very low	35.9	Very low	99 Å²	99	130.6 Å²	130.6	69%	0.692	72%	0.718	S	S	*	*			trans	73.6	133.6	-176.9	72.1	0	0	0	0	115
1456	D	29.8	Very low	36.1	Very low	150 Å²	150	133.1 Å²	133.1	80%	0.802	72%	0.719	S	S	*	*			cis	-156.2	161.4	-5.5	-97.2	-27	0	0	0	109.5
1457	E	32.8	Very low	36.1	Very low	170 Å²	170	131.9 Å²	131.9	79%	0.794	71%	0.708	S	S	*	*	S	Bend		156.3	123.9	128.8	-88.8	-163.5	-138.7	0	0	110.2
1458	N	35.7	Very low	36.3	Very low	126 Å²	126	127.8 Å²	127.8	67%	0.674	69%	0.685	S	S	*	*	S	Bend	cis	-143.1	107	5.8	-87	-72	0	0	0	112.2
1459	V	28.1	Very low	36.3	Very low	129 Å²	129	127.3 Å²	127.3	78%	0.782	67%	0.673	S	S	*	*			trans	48.7	88.9	148.9	-164.5	0	0	0	0	119.1
1460	T	33.6	Very low	36.4	Very low	130 Å²	130	127.5 Å²	127.5	80%	0.798	68%	0.677	S	S	*	*				-172.8	106	112.8	26.8	0	0	0	0	113.9
1461	S	31.9	Very low	35.9	Very low	102 Å²	102	127 Å²	127	71%	0.713	68%	0.677	S	S	*	*			trans	53.6	98	145.8	54.3	0	0	0	0	123
1462	S	30.3	Very low	36.1	Very low	110 Å²	110	128.8 Å²	128.8	77%	0.769	69%	0.688	S	S	*	*				57.8	142.7	117.5	60.6	0	0	0	0	122.6
1463	S	35.1	Very low	36.3	Very low	99 Å²	99	128.1 Å²	128.1	69%	0.692	68%	0.683	S	S	*	*			cis	175	146.9	-2.4	48.4	0	0	0	0	114.7
1464	L	36.5	Very low	36.7	Very low	160 Å²	160	123.6 Å²	123.6	84%	0.838	67%	0.667	S	S	*	*			trans	84	116.2	151.3	-65.5	159.1	0	0	0	124.3
1465	C	39.3	Very low	37	Very low	89 Å²	89	119 Å²	119	60%	0.601	65%	0.646	S	S	*	*			trans	82.9	122.1	131.8	-68.9	0	0	0	0	128.7
1466	E	40.9	Very low	37.7	Very low	151 Å²	151	116.7 Å²	116.7	71%	0.706	63%	0.632	S	S	*	*			trans	75.9	0	147.2	-66.4	112.9	-137.7	0	0	127.1
1467	F	42.3	Very low	37.9	Very low	134 Å²	134	114.6 Å²	114.6	59%	0.588	63%	0.63	S	S	*	*				0	0	0	-48.2	-61.2	0	0	0	127.7	I1336	I1336-F1467 HydrophobicContact CD1-CD1 3.67Å; I1336-F1467 HydrophobicContact CD1-CD2 3.5Å; I1336-F1467 VanDerWaalsContact CD1-CD2 3.5Å; I1336-F1467 HydrophobicContact CD1-CE1 3.6Å; I1336-F1467 HydrophobicContact CD1-CE2 3.45Å; I1336-F1467 VanDerWaalsContact CD1-CE2 3.45Å; I1336-F1467 HydrophobicContact CD1-CG 3.63Å; I1336-F1467 HydrophobicContact CD1-CZ 3.5Å; I1336-F1467 HydrophobicContact CG1-CD1 4.16Å; I1336-F1467 HydrophobicContact CG1-CE1 3.68Å; I1336-F1467 HydrophobicContact CG1-CE2 4.14Å; I1336-F1467 HydrophobicContact CG1-CZ 3.68Å
1468	E	42.8	Very low	37.9	Very low	39 Å²	39	113.3 Å²	113.3	18%	0.182	63%	0.628	C	S	.	*				0	0	0	-89.5	173.9	130.8	0	0	130.7	G339 E340 T341	G339-E1468 WeakPolarHBondContact CA-OE2 3.12Å; E340-E1468 VanDerWaalsContact C-OE1 3.23Å; E340-E1468 HydrophobicContact CB-CB 3.36Å; E340-E1468 HydrophobicContact CB-CG 4.1Å; E340-E1468 HydrophobicContact CG-CB 4.49Å; E340-E1468 PolarHBondContact N-OE1 2.73Å; E340-E1468 PolarHBondContact N-OE2 3.19Å; T341-E1468 WeakPolarHBondContact CB-OE1 3.05Å; T341-E1468 HydrophobicContact CG2-CG 3.77Å; T341-E1468 WeakPolarHBondContact CG2-OE1 3.06Å; T341-E1468 VanDerWaalsContact N-CB 3.34Å; T341-E1468 PolarHBondContact N-OE1 2.7Å; T341-E1468 PolarHBondContact OG1-OE1 3.05Å
1469	R	44.7	Very low	37.9	Very low	135 Å²	135	111.9 Å²	111.9	51%	0.509	63%	0.628	S	S	.	*				0	0	0	-111.1	173	177.9	159.9	19.1	129.5	E340 T341	E340-R1469 VanDerWaalsContact C-CD 3.47Å; E340-R1469 HydrophobicContact CB-CB 3.73Å; E340-R1469 HydrophobicContact CB-CG 3.78Å; E340-R1469 HydrophobicContact CG-CB 3.88Å; E340-R1469 HydrophobicContact CG-CG 4.24Å; E340-R1469 WeakPolarHBondContact O-CD 3.33Å; E340-R1469 PolarHBondContact O-NE 2.84Å; E340-R1469 PolarHBondContact O-NH1 2.72Å; E340-R1469 PolarHBondContact O-NH2 3.5Å; E340-R1469 WeakPolarHBondContact OE2-CB 3.32Å; E340-R1469 PolarHBondContact OE2-N 2.94Å; T341-R1469 VanDerWaalsContact O-CG 3.31Å; T341-R1469 WeakPolarHBondContact O-CG 3.47Å; T341-R1469 PolarHBondContact O-NE 2.86Å; T341-R1469 PolarHBondContact O-NH2 2.77Å; T341-R1469 VanDerWaalsContact O-NH2 3.15Å
1470	L	42.8	Very low	38.3	Very low	116 Å²	116	111.8 Å²	111.8	61%	0.607	63%	0.628	S	S	*	*				0	0	0	-131.2	171	0	0	0	119.5	A343	A343-L1470 WeakPolarHBondContact CB-O 3.07Å
1471	E	38.1	Very low	38.5	Very low	130 Å²	130	110.7 Å²	110.7	61%	0.607	63%	0.626	S	S	*	*				0	0	0	49.8	42.4	73.6	0	0	123.6	A343	A343-E1471 HydrophobicContact CB-CB 4.39Å; A343-E1471 HydrophobicContact CB-CG 4.02Å
1472	K	43.4	Very low	39.2	Very low	179 Å²	179	111.9 Å²	111.9	78%	0.778	63%	0.631	S	S	*	*				0	0	0	-126.9	170.5	-173.9	-83.1	0	123.8
1473	E	42.3	Very low	39.6	Very low	120 Å²	120	111.7 Å²	111.7	56%	0.561	63%	0.629	S	S	*	*				0	0	0	-103.2	178.8	115.3	0	0	127.7
1474	L	42.9	Very low	40.1	Very low	96 Å²	96	112.5 Å²	112.5	50%	0.503	64%	0.635	S	S	.	*				0	0	0	-79.4	168	0	0	0	134.5	L273 Q275	L273-L1474 HydrophobicContact CD1-CD2 4.16Å; L273-L1474 HydrophobicContact CD2-CD2 3.9Å; Q275-L1474 PolarHBondContact NE2-O 3.46Å
1475	G	39.5	Very low	40.8	Very low	35 Å²	35	108.5 Å²	108.5	36%	0.361	63%	0.633	S	S	.	*	B	Isolated β-bridge		0	0	0	0	0	0	0	0	134.1	G274 V276	G274-G1475 PolarHBondContact O-N 2.88Å; V276-G1475 WeakPolarHBondContact CA-O 3.48Å; V276-G1475 WeakPolarHBondContact CG2-O 2.95Å
1476	A	40	Very low	40.9	Very low	50 Å²	50	113.1 Å²	113.1	41%	0.413	65%	0.645	S	S	.	*				0	0	0	0	0	0	0	0	123.8	E277	E277-A1476 HydrophobicContact CG-CB 3.4Å; E277-A1476 VanDerWaalsContact CG-CB 3.4Å
1477	S	33.8	Very low	41.2	Very low	107 Å²	107	115.7 Å²	115.7	75%	0.748	65%	0.654	S	S	*	*				0	0	0	64.2	0	0	0	0	123.9
1478	N	33	Very low	40.9	Very low	142 Å²	142	112.4 Å²	112.4	76%	0.759	66%	0.658	S	S	*	*				0	122.2	0	-82.7	-22.3	0	0	0	132.4
1479	S	35.5	Very low	40.4	Very low	97 Å²	97	116.4 Å²	116.4	68%	0.678	69%	0.69	S	S	*	*				83.5	150.1	127.1	101.1	0	0	0	0	132.5
1480	T	35.8	Very low	39.6	Very low	127 Å²	127	112.9 Å²	112.9	78%	0.779	70%	0.696	S	S	*	*			trans	64.2	175.1	139.5	-21.8	0	0	0	0	128.1
1481	S	37.8	Very low	39.2	Very low	106 Å²	106	115.9 Å²	115.9	74%	0.741	71%	0.707	S	S	*	*			trans	84.9	162.8	150.7	-62	0	0	0	0	120.7
1482	P	46.8	Very low	39	Very low	128 Å²	128	116.1 Å²	116.1	83%	0.831	71%	0.712	S	S	*	*			cis	-115.2	-147.6	-14.2	41.8	-26	0	0	0	111.7
1483	S	39	Very low	38.9	Very low	105 Å²	105	113.9 Å²	113.9	73%	0.734	71%	0.713	S	S	*	*			cis	-163.8	-162.1	-1.5	71.8	0	0	0	0	107.4
1484	S	44.8	Very low	38.8	Very low	117 Å²	117	112.9 Å²	112.9	82%	0.818	72%	0.72	S	S	*	*			cis	-174.1	175.3	-21.1	46.7	0	0	0	0	106.9
1485	G	51.4	Low	38.6	Very low	76 Å²	76	112.8 Å²	112.8	78%	0.784	73%	0.727	S	S	*	*			cis	174.9	160.3	-3.4	0	0	0	0	0	112.9
1486	H	42.1	Very low	38.7	Very low	185 Å²	185	118.9 Å²	118.9	86%	0.856	75%	0.745	S	S	*	*			trans	-85.3	-178.2	174.8	175.4	88.5	0	0	0	112.1
1487	K	46.1	Very low	38.9	Very low	206 Å²	206	122.7 Å²	122.7	90%	0.896	76%	0.764	S	S	*	*			trans	-138.7	110.4	-179.7	-149	167.8	-167.4	168.8	0	116.6
1488	G	36.4	Very low	39	Very low	65 Å²	65	121.7 Å²	121.7	67%	0.67	76%	0.757	S	S	*	*			trans	115.7	130.4	-178.2	0	0	0	0	0	110.3
1489	S	32.2	Very low	39	Very low	122 Å²	122	120.5 Å²	120.5	85%	0.853	76%	0.76	S	S	*	*	S	Bend	cis	-136.5	147.8	7.1	58.5	0	0	0	0	112.1
1490	G	29	Very low	39.3	Very low	61 Å²	61	121.9 Å²	121.9	63%	0.629	76%	0.759	S	S	*	*			trans	87.4	113.9	-164.6	0	0	0	0	0	108.3
1491	E	33.1	Very low	39.1	Very low	179 Å²	179	119.8 Å²	119.8	84%	0.836	75%	0.749	S	S	*	*			cis	56.6	116.9	45.8	-46.6	179.4	157.1	0	0	111.1
1492	D	34.4	Very low	39	Very low	135 Å²	135	118.8 Å²	118.8	72%	0.722	73%	0.733	S	S	*	*			cis	-161.1	-160.3	-9	-109.1	-27.2	0	0	0	106.5
1493	V	41.8	Very low	38.8	Very low	132 Å²	132	118.4 Å²	118.4	80%	0.8	72%	0.716	S	S	*	*			trans	43	103.6	151.2	-75.6	0	0	0	0	117.7
1494	S	39.5	Very low	39	Very low	100 Å²	100	118.1 Å²	118.1	70%	0.699	71%	0.706	S	S	*	*				106.4	145.7	99.5	-157.1	0	0	0	0	109.5
1495	S	39.5	Very low	39.3	Very low	93 Å²	93	116.9 Å²	116.9	65%	0.65	68%	0.683	S	S	*	*			cis	-151.1	173.8	11.6	-0.9	0	0	0	0	111.5
1496	H	41.1	Very low	38.7	Very low	163 Å²	163	119.7 Å²	119.7	76%	0.755	68%	0.675	S	S	*	*			trans	-7.3	139.9	134.7	-34.7	-68.5	0	0	0	114.9
1497	T	43.9	Very low	38.1	Very low	130 Å²	130	118 Å²	118	80%	0.798	67%	0.668	S	S	*	*			cis	-139	179.5	42.1	46.4	0	0	0	0	115.7
1498	S	36.7	Very low	37.5	Very low	87 Å²	87	115.7 Å²	115.7	61%	0.608	66%	0.658	S	S	*	*			trans	-35	153.3	166.9	48.4	0	0	0	0	115.9
1499	S	31.6	Very low	37.2	Very low	117 Å²	117	119.2 Å²	119.2	82%	0.818	66%	0.657	S	S	*	*			cis	67.5	165.9	43.2	-45.3	0	0	0	0	113.9
1500	L	42.1	Very low	37.3	Very low	125 Å²	125	118.2 Å²	118.2	65%	0.654	65%	0.649	S	S	*	*			trans	81.7	127.2	178	-115.4	143.2	0	0	0	115.3	A278	A278-L1500 HydrophobicContact CB-CD2 4.48Å; A278-L1500 CarbonylContact O-C 3.18Å
1501	S	32.1	Very low	37.5	Very low	83 Å²	83	122.1 Å²	122.1	58%	0.58	65%	0.651	S	S	*	*			trans	-176.6	120.9	-178.4	58.1	0	0	0	0	107.8
1502	E	34.7	Very low	37.4	Very low	86 Å²	86	117.6 Å²	117.6	40%	0.402	64%	0.639	S	S	.	*			trans	-158.3	9.3	-166.2	-161.8	-100.6	130.2	0	0	114.8	E277 A278 R1505	E277-E1502 PolarHBondContact O-N 3.1Å; A278-E1502 HydrophobicContact CB-CB 3.94Å; A278-E1502 VanDerWaalsContact CB-N 3.26Å; E1502-R1505 VanDerWaalsContact CD-NH1 3.34Å; E1502-R1505 WeakPolarHBondContact O-CD 3.26Å; E1502-R1505 WeakPolarHBondContact O-CG 3.31Å; E1502-R1505 VanDerWaalsContact O-CZ 3.23Å; E1502-R1505 PolarHBondContact O-NE 2.72Å; E1502-R1505 PolarHBondContact O-NH1 2.82Å; E1502-R1505 VanDerWaalsContact O-NH1 3.13Å; E1502-R1505 WeakPolarHBondContact OE1-CD 3.23Å; E1502-R1505 IonicContact OE1-CZ 2.91Å; E1502-R1505 IonicContact OE1-NH1 3.28Å; E1502-R1505 PolarHBondContact OE1-NH1 3.36Å; E1502-R1505 IonicContact OE2-NH1 3.22Å; E1502-R1505 PolarHBondContact OE2-NH1 2.98Å
1503	Y	42.6	Very low	37.1	Very low	119 Å²	119	118.3 Å²	118.3	47%	0.467	64%	0.636	S	S	.	*	S	Bend	trans	-128.1	55	-159.8	-104.9	-108.7	0	0	0	116.3	V276 E277 A278 R1505	V276-Y1503 CarbonylContact C-O 3.54Å; V276-Y1503 VanDerWaalsContact CA-O 3.3Å; V276-Y1503 WeakPolarHBondContact CA-O 3.19Å; V276-Y1503 VanDerWaalsContact CB-O 3.31Å; V276-Y1503 WeakPolarHBondContact CB-O 3.17Å; V276-Y1503 WeakPolarHBondContact CG1-O 3.25Å; E277-Y1503 PolarHBondContact N-O 3.35Å; E277-Y1503 WeakPolarHBondContact O-CA 3.47Å; E277-Y1503 WeakPolarHBondContact O-CB 3.39Å; E277-Y1503 PolarHBondContact O-N 3.26Å; A278-Y1503 HydrophobicContact CB-CD2 4.22Å; Y1503-R1505 VanDerWaalsContact CD2-NH1 3.3Å; Y1503-R1505 VanDerWaalsContact CG-NH2 3.25Å
1504	L	44.6	Very low	36.6	Very low	100 Å²	100	118.2 Å²	118.2	52%	0.524	63%	0.631	S	S	.	*	S	Bend	trans	148.9	33	175.7	25	93.6	0	0	0	110.8	V276	V276-L1504 HydrophobicContact CB-CD1 4.43Å
1505	R	50.4	Low	36.1	Very low	90 Å²	90	121.6 Å²	121.6	34%	0.34	64%	0.635	S	S	.	*				62.9	142.3	70.9	-81.7	-165.1	-63.3	-127.6	-11	115.3	E1502 Y1503	E1502-R1505 VanDerWaalsContact CD-NH1 3.34Å; E1502-R1505 WeakPolarHBondContact O-CD 3.26Å; E1502-R1505 WeakPolarHBondContact O-CG 3.31Å; E1502-R1505 VanDerWaalsContact O-CZ 3.23Å; E1502-R1505 PolarHBondContact O-NE 2.72Å; E1502-R1505 PolarHBondContact O-NH1 2.82Å; E1502-R1505 VanDerWaalsContact O-NH1 3.13Å; E1502-R1505 WeakPolarHBondContact OE1-CD 3.23Å; E1502-R1505 IonicContact OE1-CZ 2.91Å; E1502-R1505 IonicContact OE1-NH1 3.28Å; E1502-R1505 PolarHBondContact OE1-NH1 3.36Å; E1502-R1505 IonicContact OE2-NH1 3.22Å; E1502-R1505 PolarHBondContact OE2-NH1 2.98Å; Y1503-R1505 VanDerWaalsContact CD2-NH1 3.3Å; Y1503-R1505 VanDerWaalsContact CG-NH2 3.25Å
1506	H	37.9	Very low	35.7	Very low	135 Å²	135	122 Å²	122	63%	0.625	64%	0.639	S	S	*	*			cis	175	174.2	-20.4	-112.9	-161.9	0	0	0	106.6
1507	E	31.1	Very low	35.1	Very low	149 Å²	149	122.2 Å²	122.2	70%	0.696	64%	0.644	S	S	*	*			cis	-144.1	164.5	-4.2	20.9	-155.4	62.1	0	0	110.9
1508	K	33.6	Very low	34.5	Very low	159 Å²	159	120 Å²	120	69%	0.691	64%	0.639	S	S	*	*			trans	-133	125.6	161.9	-173	-179.9	177.3	-61.6	0	106.7
1509	E	30.2	Very low	34.2	Very low	139 Å²	139	123.5 Å²	123.5	65%	0.65	65%	0.65	S	S	*	*			trans	60.5	125.3	-177	-72.1	108	-141.5	0	0	115.2
1510	C	33.5	Very low	34.3	Very low	101 Å²	101	123.2 Å²	123.2	68%	0.682	65%	0.646	S	S	*	*				-157.6	146.2	68.2	-74	0	0	0	0	114.6
1511	E	33.4	Very low	33.7	Very low	142 Å²	142	125.2 Å²	125.2	66%	0.664	65%	0.649	S	S	*	*				33.7	143.7	125.2	-50.3	179	148	0	0	120.7	I1594	E1511-I1594 WeakPolarHBondContact OE1-CD1 3.21Å
1512	S	31	Very low	33.5	Very low	84 Å²	84	124.7 Å²	124.7	59%	0.587	64%	0.64	S	S	*	*			cis	178.5	173.1	-17.9	49.4	0	0	0	0	106.6
1513	F	28.2	Very low	33.3	Very low	151 Å²	151	125.9 Å²	125.9	66%	0.662	66%	0.657	S	S	*	*			trans	68.3	145.3	-178.8	-53.5	-81.2	0	0	0	114.8
1514	D	31.3	Very low	32.7	Very low	129 Å²	129	124.3 Å²	124.3	69%	0.69	65%	0.653	S	S	*	*			cis	-148.5	166.1	10	-133	-20.5	0	0	0	113
1515	E	29.5	Very low	32.2	Very low	171 Å²	171	125.1 Å²	125.1	80%	0.799	66%	0.658	S	S	*	*			trans	8.5	121.6	165.4	-54.7	-172.1	126	0	0	118.3
1516	S	31.1	Very low	32.1	Very low	103 Å²	103	127.3 Å²	127.3	72%	0.72	67%	0.669	S	S	*	*				164.2	155.5	71.4	45.9	0	0	0	0	114
1517	L	27.3	Very low	31.8	Very low	167 Å²	167	124.7 Å²	124.7	87%	0.874	66%	0.659	S	S	*	*			trans	29.6	111.5	139.3	-54	169	0	0	0	117.3
1518	A	31.5	Very low	31.9	Very low	82 Å²	82	123.4 Å²	123.4	68%	0.678	65%	0.652	S	S	*	*				174.3	162.6	54.3	0	0	0	0	0	111.9
1519	L	30.5	Very low	32.1	Very low	161 Å²	161	123.4 Å²	123.4	84%	0.843	65%	0.652	S	S	*	*			trans	-81.6	127.3	150.1	-69	173.2	0	0	0	109.4
1520	P	34.1	Very low	32.8	Very low	112 Å²	112	119.5 Å²	119.5	73%	0.727	64%	0.636	S	S	*	*			trans	-146.1	94	141.3	34.2	-15	0	0	0	113.9
1521	F	30.1	Very low	33.3	Very low	167 Å²	167	118.4 Å²	118.4	73%	0.732	62%	0.623	S	S	*	*			trans	19.4	140.6	135.7	-80.4	-87.8	0	0	0	121.6
1522	D	28	Very low	33.8	Very low	71 Å²	71	115.9 Å²	115.9	38%	0.38	61%	0.614	S	S	.	*			trans	72.7	116.3	147.8	-68.5	-59.8	0	0	0	118.8	K1526	D1522-K1526 WeakPolarHBondContact OD1-CD 3.39Å; D1522-K1526 IonicContact OD1-NZ 2.7Å; D1522-K1526 IonicContact OD2-NZ 2.96Å; D1522-K1526 PolarHBondContact OD2-NZ 3.45Å
1523	S	29.7	Very low	34.6	Very low	111 Å²	111	114.3 Å²	114.3	78%	0.776	60%	0.598	S	S	*	*	S	Bend		-160.4	54.8	112.7	70.9	0	0	0	0	116.3
1524	K	30.1	Very low	35.6	Very low	87 Å²	87	110.6 Å²	110.6	38%	0.378	59%	0.585	S	S	.	*	S	Bend	trans	-138.1	62.5	157.6	-97	-170.8	-159.5	163.8	0	112	A361 E362 S363	A361-K1524 HydrophobicContact CB-CB 3.47Å; A361-K1524 VanDerWaalsContact CB-CB 3.47Å; A361-K1524 HydrophobicContact CB-CD 3.98Å; A361-K1524 HydrophobicContact CB-CG 4.32Å; A361-K1524 VanDerWaalsContact O-CD 3.32Å; A361-K1524 WeakPolarHBondContact O-CD 3.31Å; A361-K1524 PolarHBondContact O-NZ 2.83Å; E362-K1524 HydrophobicContact CB-CD 4.05Å; E362-K1524 PolarHBondContact O-NZ 2.82Å; S363-K1524 PolarHBondContact OG-NZ 3.24Å; S363-K1524 VanDerWaalsContact OG-NZ 3.1Å
1525	L	33.2	Very low	36.4	Very low	117 Å²	117	111.1 Å²	111.1	61%	0.613	59%	0.587	S	S	*	*			trans	55.6	85.8	141.9	-54.6	167.4	0	0	0	114.7	L1527	L1525-L1527 HydrophobicContact CB-CB 4.15Å; L1525-L1527 HydrophobicContact CB-CD1 4.01Å; L1525-L1527 HydrophobicContact CB-CG 3.91Å; L1525-L1527 HydrophobicContact CD1-CD1 3.84Å; L1525-L1527 HydrophobicContact CD2-CD1 4.19Å; L1525-L1527 HydrophobicContact CD2-CG 4.04Å; L1525-L1527 HydrophobicContact CG-CD1 4.21Å; L1525-L1527 HydrophobicContact CG-CG 4.35Å; L1525-L1527 PolarHBondContact O-N 3.25Å
1526	K	48.4	Very low	37.3	Very low	135 Å²	135	110.6 Å²	110.6	59%	0.587	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn		41.1	18.5	51.5	-141.5	175.6	-160.4	156.3	0	114.7	D1522 N1530	D1522-K1526 WeakPolarHBondContact OD1-CD 3.39Å; D1522-K1526 IonicContact OD1-NZ 2.7Å; D1522-K1526 IonicContact OD2-NZ 2.96Å; D1522-K1526 PolarHBondContact OD2-NZ 3.45Å; K1526-N1530 PolarHBondContact O-ND2 2.9Å
1527	L	32.4	Very low	37.6	Very low	80 Å²	80	108.7 Å²	108.7	42%	0.419	59%	0.586	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.3	-49.1	170.8	-90	171.5	0	0	0	112.4	L1525 N1530 D1531	L1525-L1527 HydrophobicContact CB-CB 4.15Å; L1525-L1527 HydrophobicContact CB-CD1 4.01Å; L1525-L1527 HydrophobicContact CB-CG 3.91Å; L1525-L1527 HydrophobicContact CD1-CD1 3.84Å; L1525-L1527 HydrophobicContact CD2-CD1 4.19Å; L1525-L1527 HydrophobicContact CD2-CG 4.04Å; L1525-L1527 HydrophobicContact CG-CD1 4.21Å; L1525-L1527 HydrophobicContact CG-CG 4.35Å; L1525-L1527 PolarHBondContact O-N 3.25Å; L1527-N1530 VanDerWaalsContact O-CB 3.31Å; L1527-N1530 WeakPolarHBondContact O-CB 3.39Å; L1527-N1530 PolarHBondContact O-N 3.17Å; L1527-D1531 PolarHBondContact O-N 3.44Å
1528	K	32.6	Very low	38.4	Very low	122 Å²	122	108.5 Å²	108.5	53%	0.53	58%	0.578	S	S	.	*	S	Bend	trans	-95.6	-16.6	-168.8	-71.5	-165.5	167.5	174.3	0	118	D1531	K1528-D1531 PolarHBondContact O-N 2.81Å
1529	F	38.3	Very low	39	Very low	160 Å²	160	108.4 Å²	108.4	70%	0.702	57%	0.57	S	S	*	*	H	α-helix	trans	-70.3	-26.2	158.8	-141	-98.4	0	0	0	111.4	D1531 I1533	F1529-D1531 VanDerWaalsContact C-N 3.32Å; F1529-I1533 HydrophobicContact CD1-CB 3.82Å; F1529-I1533 HydrophobicContact CD1-CG1 4.05Å; F1529-I1533 HydrophobicContact CD1-CG2 4.25Å; F1529-I1533 HydrophobicContact CE1-CB 3.68Å; F1529-I1533 HydrophobicContact CE1-CD1 3.68Å; F1529-I1533 HydrophobicContact CE1-CG1 3.54Å; F1529-I1533 HydrophobicContact CE1-CG2 3.9Å; F1529-I1533 HydrophobicContact CZ-CB 4.46Å; F1529-I1533 HydrophobicContact CZ-CD1 3.73Å; F1529-I1533 HydrophobicContact CZ-CG1 3.82Å; F1529-I1533 PolarHBondContact O-N 2.76Å
1530	N	45.6	Very low	39.5	Very low	57 Å²	57	103.9 Å²	103.9	31%	0.305	54%	0.544	S	S	.	.	H	α-helix	trans	-75.6	-13.3	173.1	-89.5	-35.7	0	0	0	113.6	K1526 L1527 K1540	K1526-N1530 PolarHBondContact O-ND2 2.9Å; L1527-N1530 VanDerWaalsContact O-CB 3.31Å; L1527-N1530 WeakPolarHBondContact O-CB 3.39Å; L1527-N1530 PolarHBondContact O-N 3.17Å; N1530-K1540 PolarHBondContact O-NZ 3.13Å
1531	D	42.4	Very low	39.7	Very low	78 Å²	78	103.9 Å²	103.9	42%	0.417	54%	0.542	S	S	.	.	H	α-helix	trans	-82.2	-35.1	178.4	-84.9	-18.3	0	0	0	112.6	L1527 K1528 F1529 K1540	L1527-D1531 PolarHBondContact O-N 3.44Å; K1528-D1531 PolarHBondContact O-N 2.81Å; F1529-D1531 VanDerWaalsContact C-N 3.32Å; D1531-K1540 WeakPolarHBondContact O-CD 3.4Å
1532	L	44.1	Very low	39.9	Very low	89 Å²	89	98.8 Å²	98.8	47%	0.466	53%	0.531	S	S	.	.	H	α-helix	trans	-128.1	1.6	-177.4	-94.8	96.4	0	0	0	117.3	P1539 K1540 I1543	L1532-P1539 CarbonylContact O-C 3.32Å; L1532-P1539 VanDerWaalsContact O-CA 3.24Å; L1532-P1539 WeakPolarHBondContact O-CA 3.18Å; L1532-K1540 PolarHBondContact O-N 2.79Å; L1532-I1543 HydrophobicContact CD2-CD1 3.41Å; L1532-I1543 VanDerWaalsContact CD2-CD1 3.41Å; L1532-I1543 HydrophobicContact CD2-CG1 3.86Å
1533	I	49.1	Very low	40.3	Very low	50 Å²	50	99.4 Å²	99.4	26%	0.256	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130	159.1	-63	-127.4	0	0	0	108.1	F1529 K1538	F1529-I1533 HydrophobicContact CD1-CB 3.82Å; F1529-I1533 HydrophobicContact CD1-CG1 4.05Å; F1529-I1533 HydrophobicContact CD1-CG2 4.25Å; F1529-I1533 HydrophobicContact CE1-CB 3.68Å; F1529-I1533 HydrophobicContact CE1-CD1 3.68Å; F1529-I1533 HydrophobicContact CE1-CG1 3.54Å; F1529-I1533 HydrophobicContact CE1-CG2 3.9Å; F1529-I1533 HydrophobicContact CZ-CB 4.46Å; F1529-I1533 HydrophobicContact CZ-CD1 3.73Å; F1529-I1533 HydrophobicContact CZ-CG1 3.82Å; F1529-I1533 PolarHBondContact O-N 2.76Å; I1533-K1538 WeakPolarHBondContact CG2-O 3.31Å
1534	D	49.3	Very low	40.6	Very low	74 Å²	74	98.4 Å²	98.4	40%	0.396	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	151.7	177	-152.3	29.9	0	0	0	110	N1536 G1537 K1538 K1540	D1534-N1536 PolarHBondContact O-N 3.13Å; D1534-G1537 PolarHBondContact O-N 3.49Å; D1534-K1538 PolarHBondContact N-O 2.71Å; D1534-K1540 HydrophobicContact CB-CG 3.65Å; D1534-K1540 WeakPolarHBondContact OD1-CE 3.3Å
1535	I	47.7	Very low	40.6	Very low	140 Å²	140	97.7 Å²	97.7	72%	0.718	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	6.4	-158.1	-28.4	-177.8	0	0	0	114.3
1536	N	47.4	Very low	40.7	Very low	159 Å²	159	99.3 Å²	99.3	85%	0.85	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	8.3	169.7	-64.6	-57.4	0	0	0	113.8	D1534	D1534-N1536 PolarHBondContact O-N 3.13Å
1537	G	38.3	Very low	40	Very low	64 Å²	64	99.9 Å²	99.9	66%	0.66	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	36.5	173.8	0	0	0	0	0	115.1	D1534	D1534-G1537 PolarHBondContact O-N 3.49Å
1538	K	43.9	Very low	39.9	Very low	163 Å²	163	100.2 Å²	100.2	71%	0.709	54%	0.541	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.8	146.3	166.8	-73.2	-167.6	174.8	-169	0	110.2	I1533 D1534 K1540	I1533-K1538 WeakPolarHBondContact CG2-O 3.31Å; D1534-K1538 PolarHBondContact N-O 2.71Å; K1538-K1540 PolarHBondContact O-N 3.03Å
1539	P	43.3	Very low	39.8	Very low	79 Å²	79	97 Å²	97	51%	0.513	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.8	139.4	170.3	23.7	-33	0	0	0	110.2	L1532	L1532-P1539 CarbonylContact O-C 3.32Å; L1532-P1539 VanDerWaalsContact O-CA 3.24Å; L1532-P1539 WeakPolarHBondContact O-CA 3.18Å
1540	K	41.8	Very low	39.4	Very low	67 Å²	67	95.9 Å²	95.9	29%	0.291	54%	0.535	S	S	.	.			trans	-60.8	148.5	-178.2	-92.7	169	162.8	-179.6	0	111	N1530 D1531 L1532 D1534 K1538 A1542	N1530-K1540 PolarHBondContact O-NZ 3.13Å; D1531-K1540 WeakPolarHBondContact O-CD 3.4Å; L1532-K1540 PolarHBondContact O-N 2.79Å; D1534-K1540 HydrophobicContact CB-CG 3.65Å; D1534-K1540 WeakPolarHBondContact OD1-CE 3.3Å; K1538-K1540 PolarHBondContact O-N 3.03Å; K1540-A1542 PolarHBondContact O-N 3.13Å
1541	T	37.3	Very low	38.7	Very low	111 Å²	111	100 Å²	100	68%	0.681	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	67.2	-177.2	-30.6	0	0	0	0	111.9
1542	A	34.9	Very low	38.2	Very low	61 Å²	61	104.8 Å²	104.8	50%	0.504	58%	0.582	S	S	.	*	T	Hydrogen-bonded Turn	trans	-150	-33	179.6	0	0	0	0	0	111.8	K1540	K1540-A1542 PolarHBondContact O-N 3.13Å
1543	I	37.5	Very low	37.5	Very low	83 Å²	83	106.2 Å²	106.2	43%	0.426	59%	0.594	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.8	-27.5	168.8	-68.3	-175.2	0	0	0	111.5	L1532 E1545 M1546	L1532-I1543 HydrophobicContact CD2-CD1 3.41Å; L1532-I1543 VanDerWaalsContact CD2-CD1 3.41Å; L1532-I1543 HydrophobicContact CD2-CG1 3.86Å; I1543-E1545 PolarHBondContact O-N 3.26Å; I1543-E1545 VanDerWaalsContact O-N 3.14Å; I1543-M1546 PolarHBondContact O-N 3.46Å; I1543-M1546 VanDerWaalsContact O-N 3.08Å
1544	T	34.4	Very low	37.1	Very low	90 Å²	90	109.1 Å²	109.1	55%	0.552	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	-17.6	173	-41.3	0	0	0	0	113
1545	E	31.8	Very low	36.2	Very low	73 Å²	73	111.8 Å²	111.8	34%	0.341	63%	0.63	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.3	-16.5	177	-55.2	-172.5	157.6	0	0	112.3	V428 I1543 L1547	V428-E1545 HydrophobicContact CG1-CB 4.08Å; V428-E1545 VanDerWaalsContact CG1-CD 3.44Å; V428-E1545 HydrophobicContact CG1-CG 3.83Å; I1543-E1545 PolarHBondContact O-N 3.26Å; I1543-E1545 VanDerWaalsContact O-N 3.14Å; E1545-L1547 PolarHBondContact O-N 2.9Å
1546	M	34.8	Very low	35.2	Very low	150 Å²	150	114.2 Å²	114.2	74%	0.739	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	3.5	177.2	-146.8	-178.6	81.5	0	0	113.3	I1543	I1543-M1546 PolarHBondContact O-N 3.46Å; I1543-M1546 VanDerWaalsContact O-N 3.08Å
1547	L	34	Very low	34.3	Very low	147 Å²	147	109.8 Å²	109.8	77%	0.77	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.1	8.5	176.8	-72.1	170.4	0	0	0	112.9	E1545	E1545-L1547 PolarHBondContact O-N 2.9Å
1548	T	29.1	Very low	33.9	Very low	88 Å²	88	114.8 Å²	114.8	54%	0.54	63%	0.627	S	S	.	*	S	Bend	trans	-136	49.9	-176.5	55.8	0	0	0	0	113.4
1549	S	31.5	Very low	33.2	Very low	54 Å²	54	114.8 Å²	114.8	38%	0.378	63%	0.633	S	S	.	*			trans	-149.8	156.1	160	69.1	0	0	0	0	112.3	S426	S426-S1549 VanDerWaalsContact OG-CB 3.25Å; S426-S1549 WeakPolarHBondContact OG-CB 3.48Å; S426-S1549 PolarHBondContact OG-OG 3.13Å
1550	N	30.3	Very low	32.6	Very low	136 Å²	136	114.4 Å²	114.4	73%	0.727	63%	0.632	S	S	*	*			trans	-97.4	158.4	-160.3	-68.5	-34.9	0	0	0	114.6
1551	N	28.8	Very low	32.2	Very low	144 Å²	144	118.5 Å²	118.5	77%	0.77	66%	0.663	S	S	*	*			trans	70.1	94.7	155	-57.3	-25.2	0	0	0	118.5
1552	L	32.6	Very low	31.9	Very low	178 Å²	178	119.1 Å²	119.1	93%	0.932	66%	0.661	S	S	*	*				-157.2	69.5	128	-114.9	170	0	0	0	113.3
1553	T	29.2	Very low	31.9	Very low	119 Å²	119	125 Å²	125	73%	0.73	67%	0.671	S	S	*	*			trans	-84.6	160.4	152.2	44.6	0	0	0	0	110
1554	P	40.4	Very low	31.6	Very low	111 Å²	111	128 Å²	128	72%	0.721	68%	0.684	S	S	*	*			cis	-140.3	161.6	-33.8	37.4	-22.3	0	0	0	113.1
1555	L	30.1	Very low	31.8	Very low	130 Å²	130	130.6 Å²	130.6	68%	0.681	69%	0.694	S	S	*	*			trans	-155	151.3	141	-115.4	167.5	0	0	0	113	E405	E405-L1555 WeakPolarHBondContact OE1-CD1 3.16Å
1556	Y	28.3	Very low	32.6	Very low	191 Å²	191	131.3 Å²	131.3	75%	0.749	70%	0.704	S	S	*	*			trans	-52	145.7	-162.3	-79.8	-146.7	0	0	0	115.8
1557	G	28	Very low	32.7	Very low	66 Å²	66	127.1 Å²	127.1	68%	0.68	69%	0.693	S	S	*	*			cis	133.8	-173.1	-1.5	0	0	0	0	0	113
1558	K	30.9	Very low	32.7	Very low	169 Å²	169	129.3 Å²	129.3	74%	0.735	70%	0.699	S	S	*	*			trans	44	98.3	168.7	-62	-179.6	-177.9	178	0	114.3
1559	I	28.1	Very low	33.2	Very low	163 Å²	163	131.8 Å²	131.8	84%	0.836	70%	0.704	S	S	*	*	S	Bend		-158.9	151.6	75.8	-89.8	154.1	0	0	0	110.4
1560	S	31.1	Very low	33.4	Very low	71 Å²	71	131.9 Å²	131.9	50%	0.497	70%	0.699	S	S	.	*			trans	62.7	87.8	159	-173.7	0	0	0	0	118.7	I1562	S1560-I1562 VanDerWaalsContact OG-CB 3.28Å; S1560-I1562 WeakPolarHBondContact OG-CB 2.92Å; S1560-I1562 WeakPolarHBondContact OG-CG1 3.47Å; S1560-I1562 PolarHBondContact OG-N 2.76Å; S1560-I1562 VanDerWaalsContact OG-N 3.16Å
1561	T	32.2	Very low	33.7	Very low	153 Å²	153	132.8 Å²	132.8	94%	0.939	70%	0.702	S	S	*	*				-89.9	70.8	129.6	53.3	0	0	0	0	108.2
1562	I	32	Very low	33.7	Very low	124 Å²	124	136.1 Å²	136.1	64%	0.636	70%	0.703	S	S	*	*			trans	-100.4	111	165.5	-62.4	167.5	0	0	0	104.5	S1560	S1560-I1562 VanDerWaalsContact OG-CB 3.28Å; S1560-I1562 WeakPolarHBondContact OG-CB 2.92Å; S1560-I1562 WeakPolarHBondContact OG-CG1 3.47Å; S1560-I1562 PolarHBondContact OG-N 2.76Å; S1560-I1562 VanDerWaalsContact OG-N 3.16Å
1563	Y	33.7	Very low	34.5	Very low	184 Å²	184	128.9 Å²	128.9	72%	0.722	67%	0.668	S	S	*	*			trans	66.9	145.5	-174.6	-68.5	-130.6	0	0	0	112.9	V1566	Y1563-V1566 HydrophobicContact CD1-CG2 4.43Å
1564	E	32.9	Very low	35.4	Very low	148 Å²	148	128 Å²	128	69%	0.692	66%	0.658	S	S	*	*			cis	-111.7	168.4	-18.9	-84.5	110.8	170	0	0	108.8	V1566	E1564-V1566 HydrophobicContact CB-CB 4.48Å; E1564-V1566 HydrophobicContact CB-CG2 4.15Å; E1564-V1566 HydrophobicContact CG-CB 4.13Å; E1564-V1566 HydrophobicContact CG-CG2 3.59Å
1565	D	37.2	Very low	35.4	Very low	144 Å²	144	128.2 Å²	128.2	77%	0.77	66%	0.662	S	S	*	*			cis	-111.3	148.6	11.7	-58.2	-62.6	0	0	0	112.1	A1567	D1565-A1567 HydrophobicContact CB-CB 4.01Å
1566	V	49.7	Very low	35.7	Very low	88 Å²	88	130 Å²	130	53%	0.533	67%	0.667	S	S	.	*			cis	66.8	33.1	20.9	-156	0	0	0	0	113.6	Y1563 E1564	Y1563-V1566 HydrophobicContact CD1-CG2 4.43Å; E1564-V1566 HydrophobicContact CB-CB 4.48Å; E1564-V1566 HydrophobicContact CB-CG2 4.15Å; E1564-V1566 HydrophobicContact CG-CB 4.13Å; E1564-V1566 HydrophobicContact CG-CG2 3.59Å
1567	A	35.5	Very low	35.9	Very low	62 Å²	62	125 Å²	125	51%	0.512	66%	0.66	S	S	.	*	S	Bend	trans	-135.8	-51.7	171.8	0	0	0	0	0	114.1	D1565	D1565-A1567 HydrophobicContact CB-CB 4.01Å
1568	E	34	Very low	36.1	Very low	192 Å²	192	125 Å²	125	90%	0.897	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	1.9	-168.1	-64.3	-159.6	147.4	0	0	116.6	H1570	E1568-H1570 VanDerWaalsContact C-N 3.26Å
1569	H	40.3	Very low	36.2	Very low	141 Å²	141	122.9 Å²	122.9	65%	0.653	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	11.2	164.2	-158.1	-76	0	0	0	112.4	S1573	H1569-S1573 WeakPolarHBondContact O-CB 3.28Å
1570	H	35.9	Very low	36.1	Very low	56 Å²	56	119.4 Å²	119.4	26%	0.259	63%	0.627	S	S	.	*	S	Bend	trans	-119	156.6	171.6	-60.6	-120.9	0	0	0	107.1	E1568 R1572 S1573 E1579	E1568-H1570 VanDerWaalsContact C-N 3.26Å; H1570-R1572 VanDerWaalsContact C-N 3.32Å; H1570-S1573 WeakPolarHBondContact CA-O 3.31Å; H1570-E1579 IonicContact CE1-OE2 3.15Å; H1570-E1579 PolarHBondContact CE1-OE2 2.77Å; H1570-E1579 VanDerWaalsContact CE1-OE2 3.3Å
1571	I	36.3	Very low	36.1	Very low	155 Å²	155	122.5 Å²	122.5	80%	0.795	65%	0.645	S	S	*	*	S	Bend	trans	72	22.2	-170.8	-33.5	-177.1	0	0	0	114.1	S1573 L1574	I1571-S1573 PolarHBondContact N-O 2.73Å; I1571-S1573 VanDerWaalsContact N-O 3.13Å; I1571-L1574 CarbonylContact C-O 2.88Å; I1571-L1574 WeakPolarHBondContact CA-O 3.01Å; I1571-L1574 PolarHBondContact N-O 3.41Å
1572	R	29.3	Very low	36.1	Very low	213 Å²	213	120.7 Å²	120.7	80%	0.804	63%	0.634	S	S	*	*	S	Bend	trans	-140.5	-23.9	130.3	-126.3	-173.5	-161.5	87.6	-1.4	112.3	H1570 L1574 S1575 Q1576	H1570-R1572 VanDerWaalsContact C-N 3.32Å; R1572-L1574 CarbonylContact C-O 3.17Å; R1572-L1574 WeakPolarHBondContact CA-O 3.5Å; R1572-L1574 PolarHBondContact N-O 3.36Å; R1572-L1574 VanDerWaalsContact N-O 3.07Å; R1572-L1574 CarbonylContact O-C 2.73Å; R1572-S1575 PolarHBondContact O-N 2.67Å; R1572-Q1576 PolarHBondContact O-N 3.37Å
1573	S	49.3	Very low	36	Very low	27 Å²	27	120.8 Å²	120.8	19%	0.189	64%	0.641	C	S	.	*	T	Hydrogen-bonded Turn	trans	-76.6	108.9	151.1	-109.4	0	0	0	0	108.1	H1569 H1570 I1571 Q1576 S1577	H1569-S1573 WeakPolarHBondContact O-CB 3.28Å; H1570-S1573 WeakPolarHBondContact CA-O 3.31Å; I1571-S1573 PolarHBondContact N-O 2.73Å; I1571-S1573 VanDerWaalsContact N-O 3.13Å; S1573-Q1576 WeakPolarHBondContact CA-O 3.44Å; S1573-Q1576 PolarHBondContact OG-O 2.7Å; S1573-S1577 VanDerWaalsContact C-C 3.45Å; S1573-S1577 CarbonylContact C-O 2.91Å; S1573-S1577 VanDerWaalsContact C-O 3.29Å; S1573-S1577 WeakPolarHBondContact CA-O 3.33Å; S1573-S1577 WeakPolarHBondContact CB-O 3.14Å; S1573-S1577 PolarHBondContact OG-O 3.3Å
1574	L	48.5	Very low	35.8	Very low	100 Å²	100	117.5 Å²	117.5	52%	0.524	64%	0.644	S	S	.	*	T	Hydrogen-bonded Turn		52.2	102.5	-127.8	-81.7	172.5	0	0	0	109.4	I1571 R1572 Q1576 S1577 I1578	I1571-L1574 CarbonylContact C-O 2.88Å; I1571-L1574 WeakPolarHBondContact CA-O 3.01Å; I1571-L1574 PolarHBondContact N-O 3.41Å; R1572-L1574 CarbonylContact C-O 3.17Å; R1572-L1574 WeakPolarHBondContact CA-O 3.5Å; R1572-L1574 PolarHBondContact N-O 3.36Å; R1572-L1574 VanDerWaalsContact N-O 3.07Å; R1572-L1574 CarbonylContact O-C 2.73Å; L1574-Q1576 VanDerWaalsContact CA-N 3.34Å; L1574-Q1576 VanDerWaalsContact N-C 3.31Å; L1574-S1577 PolarHBondContact N-O 3.36Å; L1574-I1578 WeakPolarHBondContact CD1-O 3.3Å
1575	S	40.8	Very low	35.8	Very low	116 Å²	116	118 Å²	118	81%	0.811	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	cis	-72.1	0.3	14.9	-45.1	0	0	0	0	118.6	R1572	R1572-S1575 PolarHBondContact O-N 2.67Å
1576	Q	35.6	Very low	35.4	Very low	167 Å²	167	120 Å²	120	78%	0.78	66%	0.655	S	S	*	*	S	Bend	trans	-136.6	86.8	166.9	-86.6	177.8	-0.3	0	0	113.2	R1572 S1573 L1574	R1572-Q1576 PolarHBondContact O-N 3.37Å; S1573-Q1576 WeakPolarHBondContact CA-O 3.44Å; S1573-Q1576 PolarHBondContact OG-O 2.7Å; L1574-Q1576 VanDerWaalsContact CA-N 3.34Å; L1574-Q1576 VanDerWaalsContact N-C 3.31Å
1577	S	31.5	Very low	34.8	Very low	86 Å²	86	120.9 Å²	120.9	60%	0.601	67%	0.666	S	S	*	*	S	Bend	trans	62.1	107.3	176.4	-164.7	0	0	0	0	114.2	S1573 L1574	S1573-S1577 VanDerWaalsContact C-C 3.45Å; S1573-S1577 CarbonylContact C-O 2.91Å; S1573-S1577 VanDerWaalsContact C-O 3.29Å; S1573-S1577 WeakPolarHBondContact CA-O 3.33Å; S1573-S1577 WeakPolarHBondContact CB-O 3.14Å; S1573-S1577 PolarHBondContact OG-O 3.3Å; L1574-S1577 PolarHBondContact N-O 3.36Å
1578	I	32.5	Very low	34.6	Very low	66 Å²	66	121.6 Å²	121.6	34%	0.338	67%	0.672	S	S	.	*				-171.5	152.5	87.8	-80.3	155.1	0	0	0	109.3	L1574	L1574-I1578 WeakPolarHBondContact CD1-O 3.3Å
1579	E	34	Very low	34.5	Very low	124 Å²	124	119.7 Å²	119.7	58%	0.579	66%	0.66	S	S	*	*			trans	64.7	110.5	163.2	-79.9	142.4	-139	0	0	122.5	H1570	H1570-E1579 IonicContact CE1-OE2 3.15Å; H1570-E1579 PolarHBondContact CE1-OE2 2.77Å; H1570-E1579 VanDerWaalsContact CE1-OE2 3.3Å
1580	S	25.9	Very low	34.3	Very low	90 Å²	90	119.9 Å²	119.9	63%	0.629	67%	0.666	S	S	*	*				40.6	110	106.1	-49.9	0	0	0	0	120.6
1581	P	31.2	Very low	34.3	Very low	137 Å²	137	119.8 Å²	119.8	89%	0.89	67%	0.668	S	S	*	*			trans	-87	100.4	151.1	33.1	-28.1	0	0	0	110.4
1582	T	31.3	Very low	34.3	Very low	114 Å²	114	117.8 Å²	117.8	70%	0.699	66%	0.658	S	S	*	*			trans	-92.7	133.6	169.9	38.6	0	0	0	0	112.1
1583	T	30.3	Very low	34.8	Very low	127 Å²	127	113.8 Å²	113.8	78%	0.779	65%	0.649	S	S	*	*			trans	49.6	96.8	149.8	56.7	0	0	0	0	119
1584	S	30.2	Very low	34.4	Very low	114 Å²	114	118 Å²	118	80%	0.797	67%	0.668	S	S	*	*				-170.2	149.9	123.8	35.4	0	0	0	0	109.9
1585	L	33.4	Very low	34.3	Very low	160 Å²	160	117.8 Å²	117.8	84%	0.838	68%	0.675	S	S	*	*			cis	-144.2	167.6	1.5	-129.8	164.6	0	0	0	110	S1587	L1585-S1587 PolarHBondContact O-N 3.44Å
1586	H	27.9	Very low	34.7	Very low	184 Å²	184	117.9 Å²	117.9	85%	0.852	66%	0.661	S	S	*	*			trans	-64.9	123.9	180	-71.1	-95.1	0	0	0	113.3
1587	S	36.6	Very low	35	Very low	108 Å²	108	114.3 Å²	114.3	76%	0.755	65%	0.651	S	S	*	*			trans	-162.1	120.7	147.6	-128.3	0	0	0	0	104.9	L1585	L1585-S1587 PolarHBondContact O-N 3.44Å
1588	A	31.3	Very low	35.3	Very low	77 Å²	77	120.4 Å²	120.4	64%	0.636	66%	0.662	S	S	*	*				46.5	111.5	73.7	0	0	0	0	0	110.1
1589	K	32	Very low	35.5	Very low	151 Å²	151	120.4 Å²	120.4	66%	0.657	67%	0.672	S	S	*	*				50.2	127.1	73.5	-65.1	172.4	149.3	-88	0	110.1	D1591	K1589-D1591 IonicContact NZ-OD1 2.72Å; K1589-D1591 IonicContact NZ-OD2 2.97Å; K1589-D1591 PolarHBondContact NZ-OD2 3.01Å
1590	D	37.4	Very low	35.4	Very low	145 Å²	145	119.8 Å²	119.8	78%	0.775	68%	0.682	S	S	*	*			cis	-111.5	138.5	33.1	-62.8	-44	0	0	0	112.6
1591	D	34	Very low	35.9	Very low	54 Å²	54	124.1 Å²	124.1	29%	0.289	69%	0.692	S	S	.	*				65.1	122.2	63.1	-65.4	-14.1	0	0	0	111.9	K1589 F1596	K1589-D1591 IonicContact NZ-OD1 2.72Å; K1589-D1591 IonicContact NZ-OD2 2.97Å; K1589-D1591 PolarHBondContact NZ-OD2 3.01Å; D1591-F1596 HydrophobicContact CB-CE2 4.16Å; D1591-F1596 WeakPolarHBondContact OD1-CD2 3.38Å; D1591-F1596 WeakPolarHBondContact OD1-CE2 3.25Å
1592	D	36.5	Very low	35.9	Very low	113 Å²	113	125.4 Å²	125.4	60%	0.604	68%	0.684	S	S	*	*	S	Bend		-176	128.2	123.5	-99.1	1.6	0	0	0	111.3
1593	Q	40.9	Very low	36	Very low	129 Å²	129	125.1 Å²	125.1	60%	0.603	68%	0.678	S	S	*	*	S	Bend	cis	-132.3	128	2.2	-104	142.7	33.6	0	0	111.7
1594	I	40.7	Very low	36.1	Very low	115 Å²	115	127 Å²	127	59%	0.59	68%	0.678	S	S	*	*	S	Bend	trans	60	100.6	146.1	-49.9	160.2	0	0	0	116.1	E1511	E1511-I1594 WeakPolarHBondContact OE1-CD1 3.21Å
1595	S	46	Very low	36	Very low	96 Å²	96	128.7 Å²	128.7	67%	0.671	68%	0.678	S	S	*	*	S	Bend	cis	-153	69.3	-6.9	38.1	0	0	0	0	110.4
1596	F	48.6	Very low	36	Very low	118 Å²	118	130.5 Å²	130.5	52%	0.518	68%	0.679	S	S	.	*			trans	50.3	98.1	167.4	-72.2	-92.6	0	0	0	117.3	D1591	D1591-F1596 HydrophobicContact CB-CE2 4.16Å; D1591-F1596 WeakPolarHBondContact OD1-CD2 3.38Å; D1591-F1596 WeakPolarHBondContact OD1-CE2 3.25Å
1597	T	41.9	Very low	36.4	Very low	93 Å²	93	126.8 Å²	126.8	57%	0.571	67%	0.673	S	S	*	*			cis	52.4	126.1	46.4	94.9	0	0	0	0	112
1598	Y	38	Very low	36.3	Very low	213 Å²	213	130.2 Å²	130.2	84%	0.835	68%	0.678	S	S	*	*			cis	-119.7	139.7	31.9	-102.3	-121.5	0	0	0	112
1599	A	38.1	Very low	36.2	Very low	67 Å²	67	132.8 Å²	132.8	55%	0.554	69%	0.686	S	S	*	*				62.6	103.2	59.6	0	0	0	0	0	112.1
1600	S	31.6	Very low	36.4	Very low	111 Å²	111	128.9 Å²	128.9	78%	0.776	69%	0.688	S	S	*	*				92.4	145.7	60.3	-79.8	0	0	0	0	113.4
1601	Q	36.1	Very low	35.9	Very low	180 Å²	180	128.3 Å²	128.3	84%	0.841	69%	0.694	S	S	*	*			trans	70.5	124.1	173.8	-66.8	161.9	-10.7	0	0	114.7
1602	K	31.7	Very low	35.8	Very low	165 Å²	165	130.6 Å²	130.6	72%	0.717	71%	0.714	S	S	*	*			cis	90	148	39.7	-171.5	-169.7	170.5	-67.2	0	111.2
1603	D	32.4	Very low	35.5	Very low	107 Å²	107	131.3 Å²	131.3	57%	0.572	72%	0.718	S	S	*	*			trans	89.9	105.3	171.1	-60.9	-45.7	0	0	0	118.3
1604	E	31.7	Very low	35.1	Very low	167 Å²	167	127.5 Å²	127.5	78%	0.78	71%	0.706	S	S	*	*				58.3	107.5	128	-60.1	-171.7	168.6	0	0	121.6
1605	N	28.6	Very low	34.7	Very low	150 Å²	150	126.8 Å²	126.8	80%	0.802	70%	0.7	S	S	*	*				46.2	138	109	-88.1	-38.2	0	0	0	121.9
1606	K	33.1	Very low	34.1	Very low	198 Å²	198	127.5 Å²	127.5	86%	0.861	70%	0.696	S	S	*	*			trans	76.4	89	155.6	-63.8	167.2	-179.6	168.9	0	119.6
1607	S	36.5	Very low	33.3	Very low	105 Å²	105	128.4 Å²	128.4	73%	0.734	71%	0.705	S	S	*	*				-155.3	116.9	128.6	47.4	0	0	0	0	108.3
1608	Q	35.8	Very low	32.9	Very low	181 Å²	181	129.7 Å²	129.7	85%	0.846	71%	0.707	S	S	*	*				63.3	136	86.7	-79.8	-173.9	-35	0	0	114
1609	T	28.8	Very low	32.6	Very low	131 Å²	131	123.7 Å²	123.7	80%	0.804	69%	0.689	S	S	*	*			cis	-179.6	153.2	-20.7	12.7	0	0	0	0	106.1
1610	G	36.9	Very low	32.2	Very low	69 Å²	69	125.8 Å²	125.8	71%	0.711	70%	0.698	S	S	*	*			trans	129.3	105	177.7	0	0	0	0	0	111.3
1611	C	26.1	Very low	32.1	Very low	132 Å²	132	125.7 Å²	125.7	89%	0.892	70%	0.698	S	S	*	*			cis	79.2	77.9	27.7	-50.4	0	0	0	0	115
1612	S	31.5	Very low	31.6	Very low	102 Å²	102	123.7 Å²	123.7	71%	0.713	69%	0.686	S	S	*	*			trans	-171.7	145.9	160.6	53.5	0	0	0	0	107
1613	D	31.1	Very low	31.3	Very low	128 Å²	128	122.5 Å²	122.5	68%	0.684	68%	0.684	S	S	*	*			cis	-156.3	161.2	-5.9	-120.7	-31.4	0	0	0	110.4	S782	S782-D1613 PolarHBondContact OG-O 3.35Å
1614	S	32.1	Very low	31.1	Very low	50 Å²	50	124.8 Å²	124.8	35%	0.35	70%	0.696	S	S	.	*			trans	59.9	158.5	173.4	7.3	0	0	0	0	115.2	S782 V783 S784	S782-S1614 WeakPolarHBondContact CB-O 3.44Å; S782-S1614 WeakPolarHBondContact OG-CB 3.17Å; S782-S1614 PolarHBondContact OG-O 3.18Å; S782-S1614 PolarHBondContact OG-OG 2.73Å; V783-S1614 CarbonylContact C-O 3.49Å; S784-S1614 WeakPolarHBondContact CB-O 2.72Å; S784-S1614 PolarHBondContact N-O 3.1Å; S784-S1614 VanDerWaalsContact N-O 3.15Å; S784-S1614 PolarHBondContact OG-O 2.9Å
1615	E	32.4	Very low	31	Very low	100 Å²	100	122 Å²	122	47%	0.467	70%	0.695	S	S	.	*	B	Isolated β-bridge	cis	-167.7	170.6	-26.1	-121.1	-73.9	46.3	0	0	106.4	S782 V783 S784	S782-E1615 PolarHBondContact O-N 3.11Å; V783-E1615 CarbonylContact C-O 3.52Å; V783-E1615 WeakPolarHBondContact CA-O 3.42Å; V783-E1615 VanDerWaalsContact N-N 3.19Å; V783-E1615 PolarHBondContact N-O 2.77Å; S784-E1615 PolarHBondContact N-O 3.46Å; S784-E1615 CarbonylContact O-C 3.01Å; S784-E1615 VanDerWaalsContact O-CA 3.27Å; S784-E1615 WeakPolarHBondContact O-CA 3.05Å; S784-E1615 PolarHBondContact O-N 3.01Å
1616	L	33.3	Very low	30.8	Very low	111 Å²	111	120.9 Å²	120.9	58%	0.581	69%	0.689	S	S	*	*			trans	42.1	119.6	155.2	-48.5	179.1	0	0	0	119.5
1617	L	32.4	Very low	31.2	Very low	136 Å²	136	116 Å²	116	71%	0.712	68%	0.678	S	S	*	*			cis	-159.5	125.2	16.2	-161.3	73.2	0	0	0	113.3
1618	I	33	Very low	31	Very low	120 Å²	120	117.9 Å²	117.9	62%	0.615	68%	0.679	S	S	*	*			trans	48.7	101.9	143.4	-57.9	176.9	0	0	0	118.1
1619	I	31.5	Very low	30.9	Very low	88 Å²	88	116.5 Å²	116.5	45%	0.451	67%	0.672	S	S	.	*				47.5	146.5	110.7	-45	145.2	0	0	0	119.7	F786 D787	F786-I1619 WeakPolarHBondContact O-CD1 3.38Å; F786-I1619 WeakPolarHBondContact O-CG1 3.35Å; D787-I1619 WeakPolarHBondContact O-CD1 3.49Å; D787-I1619 WeakPolarHBondContact O-CG1 3.5Å
1620	C	28.6	Very low	31.1	Very low	110 Å²	110	115.7 Å²	115.7	74%	0.743	67%	0.667	S	S	*	*			trans	-58.1	-178	171	-48	0	0	0	0	116.3
1621	S	29.4	Very low	31	Very low	110 Å²	110	121.1 Å²	121.1	77%	0.769	67%	0.674	S	S	*	*			trans	89.9	104.2	151.4	-58.5	0	0	0	0	119.1
1622	K	26.8	Very low	31.2	Very low	138 Å²	138	123.7 Å²	123.7	60%	0.6	67%	0.67	S	S	*	*			trans	-56.5	133.1	157.3	-71.1	171.6	-179.6	166.8	0	110.9	N756	N756-K1622 PolarHBondContact ND2-NZ 2.88Å; N756-K1622 VanDerWaalsContact ND2-NZ 3.16Å
1623	M	25.4	Very low	31	Very low	139 Å²	139	123.4 Å²	123.4	69%	0.685	67%	0.668	S	S	*	*			trans	58.9	119.3	153.6	-52.5	-175.3	-46.7	0	0	119.3
1624	L	28.4	Very low	31.1	Very low	156 Å²	156	126.9 Å²	126.9	82%	0.817	68%	0.677	S	S	*	*				-167.4	142.4	91.6	-98	167	0	0	0	113
1625	S	29.1	Very low	30.9	Very low	108 Å²	108	128.4 Å²	128.4	76%	0.755	70%	0.7	S	S	*	*			trans	36.1	120.9	154.1	-55	0	0	0	0	123.2
1626	D	25.5	Very low	30.8	Very low	126 Å²	126	128.6 Å²	128.6	67%	0.674	71%	0.713	S	S	*	*			trans	-40.7	166.4	141.2	-114.6	-24	0	0	0	113.6
1627	P	40.6	Very low	30.5	Very low	97 Å²	97	132 Å²	132	63%	0.63	73%	0.73	S	S	*	*			cis	-135	-176.2	-12.7	30.4	-8.5	0	0	0	113.4
1628	L	32.4	Very low	30.5	Very low	144 Å²	144	130.6 Å²	130.6	75%	0.754	73%	0.728	S	S	*	*				143	137.9	129.7	-78.6	177.5	0	0	0	115.9
1629	Q	33.4	Very low	30.3	Very low	151 Å²	151	129.9 Å²	129.9	71%	0.706	73%	0.733	S	S	*	*			trans	63.1	121.3	163.3	-57.8	-50.4	-35.6	0	0	116
1630	V	34	Very low	30.3	Very low	114 Å²	114	131.5 Å²	131.5	69%	0.691	75%	0.753	S	S	*	*				60.6	119.8	80.7	172.6	0	0	0	0	110.7
1631	E	34	Very low	30.6	Very low	184 Å²	184	130.8 Å²	130.8	86%	0.86	75%	0.749	S	S	*	*			cis	-144	167	42.9	-160.7	152.1	-128.3	0	0	116.1
1632	K	31.3	Very low	30.8	Very low	185 Å²	185	134.1 Å²	134.1	80%	0.804	75%	0.752	S	S	*	*			trans	-83.4	135.9	172.5	-75.6	-178.6	175.2	178.9	0	112.5
1633	S	26.6	Very low	31.2	Very low	97 Å²	97	135.4 Å²	135.4	68%	0.678	76%	0.764	S	S	*	*			trans	77.5	152.2	140.3	79.9	0	0	0	0	120.3
1634	K	32.3	Very low	31.2	Very low	201 Å²	201	137 Å²	137	87%	0.874	77%	0.769	S	S	*	*			trans	63.9	94.8	165.4	-59.7	174.4	-179.7	178.2	0	114.4
1635	G	28.5	Very low	31.8	Very low	81 Å²	81	133.8 Å²	133.8	84%	0.835	76%	0.758	S	S	*	*				96.3	120.3	54.8	0	0	0	0	0	109.6
1636	S	30.9	Very low	31.6	Very low	105 Å²	105	135.8 Å²	135.8	73%	0.734	76%	0.76	S	S	*	*			trans	-123.1	50.9	-168.3	-170.8	0	0	0	0	113.7	T1638	S1636-T1638 PolarHBondContact O-N 3.27Å
1637	L	26.5	Very low	32	Very low	181 Å²	181	136.9 Å²	136.9	95%	0.948	77%	0.765	S	S	*	*			trans	-74.9	69.5	159.1	-80.8	179.8	0	0	0	110.4
1638	T	32	Very low	31.7	Very low	108 Å²	108	137.1 Å²	137.1	66%	0.663	76%	0.761	S	S	*	*			trans	-146.4	90.2	162.7	44.3	0	0	0	0	108.2	S1636	S1636-T1638 PolarHBondContact O-N 3.27Å
1639	S	30	Very low	31.7	Very low	104 Å²	104	139.3 Å²	139.3	73%	0.727	76%	0.759	S	S	*	*				91.4	110.6	67.1	67.1	0	0	0	0	112.9
1640	S	31.2	Very low	31.6	Very low	123 Å²	123	137.8 Å²	137.8	86%	0.86	76%	0.76	S	S	*	*	S	Bend	trans	-125.6	134.6	134.3	-67	0	0	0	0	106.8
1641	S	34.1	Very low	31.7	Very low	94 Å²	94	139 Å²	139	66%	0.657	76%	0.762	S	S	*	*			cis	-171	142.6	-14.4	43.4	0	0	0	0	106.4
1642	E	33	Very low	31.9	Very low	180 Å²	180	138.1 Å²	138.1	84%	0.841	76%	0.764	S	S	*	*			trans	40	115.1	153.7	-49.6	179.7	151.6	0	0	116.5
1643	I	35.4	Very low	32.5	Very low	166 Å²	166	133.6 Å²	133.6	85%	0.851	75%	0.753	S	S	*	*				-162.6	124.4	80.1	-90.5	161.2	0	0	0	110.8
1644	E	26.7	Very low	33	Very low	171 Å²	171	136.9 Å²	136.9	80%	0.799	76%	0.762	S	S	*	*			trans	-60.9	179	160.1	-105.2	-168.2	-165.4	0	0	112.7
1645	P	40.2	Very low	33.1	Very low	89 Å²	89	134 Å²	134	58%	0.578	76%	0.762	S	S	*	*			cis	-141.5	-158.5	-23.5	34.1	-12	0	0	0	111.8
1646	L	25.3	Very low	33.2	Very low	150 Å²	150	133 Å²	133	79%	0.785	75%	0.751	S	S	*	*			trans	72.8	138.1	145.5	-79.7	174.9	0	0	0	119.4
1647	L	32.7	Very low	33.7	Very low	150 Å²	150	135 Å²	135	79%	0.785	76%	0.759	S	S	*	*			trans	69.5	149.2	170.4	-55.7	161.1	0	0	0	112.7
1648	D	35.6	Very low	34	Very low	101 Å²	101	134.6 Å²	134.6	54%	0.54	75%	0.752	S	S	.	*			cis	-145.8	-179.3	-4.2	-142.4	-24.1	0	0	0	110.5
1649	R	31.9	Very low	34	Very low	190 Å²	190	137.7 Å²	137.7	72%	0.717	76%	0.759	S	S	*	*			trans	28.4	120.2	145.8	-75.8	154.9	173.6	91.5	16.4	119.1
1650	V	31.2	Very low	34	Very low	119 Å²	119	136.9 Å²	136.9	72%	0.721	75%	0.75	S	S	*	*				60.1	106.4	79.1	174	0	0	0	0	111.4
1651	D	35.7	Very low	34.1	Very low	140 Å²	140	137.4 Å²	137.4	75%	0.749	74%	0.743	S	S	*	*			trans	170.8	113.6	143.5	-82.8	-20.8	0	0	0	105.6	P1653	D1651-P1653 WeakPolarHBondContact OD1-CD 3.09Å
1652	D	39.5	Very low	34.3	Very low	166 Å²	166	137.7 Å²	137.7	89%	0.888	75%	0.745	S	S	*	*			cis	29.9	75.7	2.6	-77	-8.2	0	0	0	117.3
1653	P	42.4	Very low	34.4	Very low	89 Å²	89	134.1 Å²	134.1	58%	0.578	73%	0.731	S	S	*	*				-125.1	145.3	112.4	36.8	-32.3	0	0	0	111.4	D1651	D1651-P1653 WeakPolarHBondContact OD1-CD 3.09Å
1654	L	37.9	Very low	34.4	Very low	166 Å²	166	132.6 Å²	132.6	87%	0.869	72%	0.723	S	S	*	*			cis	79.7	49.6	36.6	-140.1	-178.4	0	0	0	114.9
1655	T	34.3	Very low	34.9	Very low	142 Å²	142	133.1 Å²	133.1	87%	0.871	72%	0.723	S	S	*	*			trans	-153.4	155.2	148	23.1	0	0	0	0	108
1656	G	30.9	Very low	34.7	Very low	60 Å²	60	133 Å²	133	62%	0.619	72%	0.724	S	S	*	*			cis	153.7	50.4	-2.7	0	0	0	0	0	114.8
1657	V	41.1	Very low	35.4	Very low	147 Å²	147	130.5 Å²	130.5	89%	0.891	72%	0.719	S	S	*	*			trans	65	74	-172.4	-167.9	0	0	0	0	113
1658	E	32.9	Very low	35.5	Very low	172 Å²	172	129.3 Å²	129.3	80%	0.804	71%	0.712	S	S	*	*			trans	-163.1	142.4	162.3	-97	144.1	-148.7	0	0	103.2
1659	E	31.2	Very low	35.6	Very low	172 Å²	172	133.9 Å²	133.9	80%	0.804	72%	0.724	S	S	*	*			cis	-176	-178.2	-19.7	-128.6	171.9	-166.9	0	0	103.8	D1661	E1659-D1661 PolarHBondContact O-N 2.82Å
1660	T	31.6	Very low	35.4	Very low	88 Å²	88	129.3 Å²	129.3	54%	0.54	71%	0.714	S	S	.	*			trans	-55.3	119.4	158.1	43.7	0	0	0	0	110.9	L1663	T1660-L1663 HydrophobicContact CG2-CD1 4.12Å; T1660-L1663 HydrophobicContact CG2-CD2 3.84Å; T1660-L1663 HydrophobicContact CG2-CG 4.01Å
1661	D	32.8	Very low	35.5	Very low	134 Å²	134	127.5 Å²	127.5	72%	0.717	71%	0.706	S	S	*	*				-172.6	134.2	108.8	-98.6	-32.7	0	0	0	112.6	E1659 L1663	E1659-D1661 PolarHBondContact O-N 2.82Å; D1661-L1663 WeakPolarHBondContact OD1-CD1 3.18Å
1662	S	38.7	Very low	35.6	Very low	99 Å²	99	127.6 Å²	127.6	69%	0.692	71%	0.706	S	S	*	*			cis	-127	124.5	-10.5	-65.4	0	0	0	0	106.9
1663	L	34.1	Very low	35.3	Very low	106 Å²	106	126.8 Å²	126.8	56%	0.555	71%	0.706	S	S	*	*				67.4	149.4	71.8	-75.3	176	0	0	0	113.2	T1660 D1661	T1660-L1663 HydrophobicContact CG2-CD1 4.12Å; T1660-L1663 HydrophobicContact CG2-CD2 3.84Å; T1660-L1663 HydrophobicContact CG2-CG 4.01Å; D1661-L1663 WeakPolarHBondContact OD1-CD1 3.18Å
1664	I	36	Very low	34.8	Very low	133 Å²	133	126.8 Å²	126.8	68%	0.682	71%	0.707	S	S	*	*			trans	68	93.7	149.8	-73.7	163.7	0	0	0	113.6
1665	F	37.2	Very low	34.4	Very low	182 Å²	182	122.9 Å²	122.9	80%	0.798	69%	0.693	S	S	*	*				99	159	78.1	-95.2	-149.7	0	0	0	109.4
1666	S	35.7	Very low	34.3	Very low	86 Å²	86	119.6 Å²	119.6	60%	0.601	69%	0.688	S	S	*	*			cis	-165.8	164.4	-15.9	48.4	0	0	0	0	106
1667	S	39.6	Very low	34.4	Very low	98 Å²	98	125.9 Å²	125.9	69%	0.685	69%	0.694	S	S	*	*			cis	-139.8	136.8	12.8	-47.9	0	0	0	0	106.7
1668	I	35.9	Very low	34.2	Very low	125 Å²	125	126.7 Å²	126.7	64%	0.641	69%	0.688	S	S	*	*				58.1	119.6	73.6	-55.8	167.3	0	0	0	110.8
1669	Y	36.1	Very low	34.1	Very low	197 Å²	197	125.6 Å²	125.6	77%	0.773	69%	0.688	S	S	*	*			cis	-123.7	143.7	4.9	-102.4	-59.6	0	0	0	113.1
1670	D	27.9	Very low	34	Very low	95 Å²	95	122.3 Å²	122.3	51%	0.508	68%	0.684	S	S	.	*			trans	-150.4	77	159.7	-172.3	40.2	0	0	0	107.6	R777	R777-D1670 IonicContact CZ-OD2 2.65Å; R777-D1670 IonicContact NH1-OD2 2.59Å; R777-D1670 PolarHBondContact NH1-OD2 2.99Å; R777-D1670 IonicContact NH2-OD2 2.83Å; R777-D1670 PolarHBondContact NH2-OD2 2.84Å
1671	S	35	Very low	34	Very low	81 Å²	81	125.2 Å²	125.2	57%	0.566	69%	0.694	S	S	*	*			trans	-135	106.9	-172	-66.7	0	0	0	0	109.3
1672	L	37.3	Very low	34.1	Very low	141 Å²	141	128.6 Å²	128.6	74%	0.738	70%	0.699	S	S	*	*				74	100.9	76.8	-68.9	165.6	0	0	0	113.8	P1674	L1672-P1674 HydrophobicContact CD2-CG 4.36Å
1673	V	33.2	Very low	33.7	Very low	149 Å²	149	128.6 Å²	128.6	90%	0.903	70%	0.698	S	S	*	*				-117	106.8	126.5	178.8	0	0	0	0	106.8
1674	P	31.5	Very low	33.7	Very low	90 Å²	90	127.5 Å²	127.5	58%	0.584	71%	0.713	S	S	*	*				-135.3	124	121	34.4	-23.3	0	0	0	112.1	L1672	L1672-P1674 HydrophobicContact CD2-CG 4.36Å
1675	S	29.8	Very low	33.3	Very low	83 Å²	83	126.4 Å²	126.4	58%	0.58	71%	0.712	S	S	*	*			trans	32.8	100.9	147.7	61.3	0	0	0	0	118.5	Y1677	S1675-Y1677 WeakPolarHBondContact O-CD2 3.36Å
1676	G	32.8	Very low	33.5	Very low	74 Å²	74	122.4 Å²	122.4	76%	0.763	71%	0.705	S	S	*	*				-69.4	125.7	119	0	0	0	0	0	107
1677	Y	32.4	Very low	33.3	Very low	192 Å²	192	124.2 Å²	124.2	75%	0.753	71%	0.708	S	S	*	*				57.6	122.5	63	-74.6	-114.5	0	0	0	111.4	S1675	S1675-Y1677 WeakPolarHBondContact O-CD2 3.36Å
1678	E	37.3	Very low	32.9	Very low	163 Å²	163	126.7 Å²	126.7	76%	0.762	71%	0.71	S	S	*	*			cis	-152.5	168.4	6.9	-142.7	172.3	178.6	0	0	114.6
1679	N	29.5	Very low	32.7	Very low	149 Å²	149	125.9 Å²	125.9	80%	0.797	71%	0.707	S	S	*	*			trans	-60.2	149.4	-175.4	-73.2	-71.9	0	0	0	114.6
1680	S	29	Very low	32.7	Very low	103 Å²	103	125.5 Å²	125.5	72%	0.72	71%	0.71	S	S	*	*			trans	60.6	107.4	141.1	168.4	0	0	0	0	118.4
1681	I	32	Very low	32.9	Very low	149 Å²	149	124.5 Å²	124.5	76%	0.764	72%	0.722	S	S	*	*				-166	127.6	119	-104.5	152.5	0	0	0	112.1
1682	Y	34.8	Very low	33	Very low	206 Å²	206	127 Å²	127	81%	0.808	73%	0.734	S	S	*	*			trans	65.4	110.5	158.5	-82.1	-116.2	0	0	0	121.7
1683	S	29.4	Very low	32.8	Very low	98 Å²	98	126.3 Å²	126.3	69%	0.685	73%	0.731	S	S	*	*				29.1	120.1	128.6	61.3	0	0	0	0	120.4
1684	G	34.4	Very low	32.7	Very low	83 Å²	83	124.6 Å²	124.6	86%	0.856	72%	0.716	S	S	*	*			trans	-162.1	41.3	178.5	0	0	0	0	0	117.5
1685	T	28.8	Very low	32.9	Very low	110 Å²	110	126.8 Å²	126.8	68%	0.675	72%	0.723	S	S	*	*			trans	-85.7	167.1	165.3	45.6	0	0	0	0	111.3
1686	P	40.8	Very low	33.2	Very low	98 Å²	98	128.6 Å²	128.6	64%	0.636	72%	0.718	S	S	*	*			cis	-129	172.4	-28.7	37.2	-22.6	0	0	0	112.9
1687	N	32	Very low	33.2	Very low	124 Å²	124	133.4 Å²	133.4	66%	0.663	71%	0.713	S	S	*	*				165	127.2	112.6	-98.2	-23.6	0	0	0	115.3
1688	M	30.3	Very low	33.3	Very low	151 Å²	151	126.6 Å²	126.6	74%	0.744	69%	0.689	S	S	*	*			trans	64.1	144	136.4	-54.6	-62	164.9	0	0	118.8
1689	N	31.9	Very low	33.3	Very low	108 Å²	108	122 Å²	122	58%	0.578	67%	0.674	S	S	*	*			cis	-160	154.7	20.5	-139.9	-15.2	0	0	0	112.7
1690	F	35.4	Very low	33.4	Very low	189 Å²	189	118 Å²	118	83%	0.829	65%	0.651	S	S	*	*			trans	50.1	108.1	169.4	-52	-65.8	0	0	0	116.6
1691	G	33.9	Very low	33.8	Very low	74 Å²	74	115.1 Å²	115.1	76%	0.763	63%	0.631	S	S	*	*				114.9	153.6	73.6	0	0	0	0	0	108
1692	V	36.3	Very low	34.2	Very low	134 Å²	134	116.2 Å²	116.2	81%	0.812	63%	0.625	S	S	*	*			cis	-143.5	162.8	18.8	163.6	0	0	0	0	109.9
1693	N	33.5	Very low	34.2	Very low	126 Å²	126	115.3 Å²	115.3	67%	0.674	62%	0.62	S	S	*	*			trans	-23.2	159.4	159.7	-57.2	57	0	0	0	117.2
1694	D	31.4	Very low	34.8	Very low	112 Å²	112	115.5 Å²	115.5	60%	0.599	61%	0.613	S	S	*	*			cis	-166.3	144.1	-17.9	-94.5	-24.4	0	0	0	106
1695	N	35	Very low	34.8	Very low	136 Å²	136	118 Å²	118	73%	0.727	61%	0.607	S	S	*	*			trans	-137.8	106	142.4	-104.2	-22.1	0	0	0	109.6
1696	W	36.4	Very low	35.3	Very low	122 Å²	122	116.9 Å²	116.9	46%	0.462	60%	0.603	S	S	.	*			trans	-39.8	161.8	154.8	-28.3	49.9	0	0	0	113.5	E478 R479 V481	E478-W1696 VanDerWaalsContact O-CE2 3.28Å; E478-W1696 WeakPolarHBondContact O-CZ2 3.02Å; E478-W1696 PolarHBondContact O-NE1 2.97Å; R479-W1696 WeakPolarHBondContact O-CB 3.48Å; R479-W1696 PolarHBondContact O-NE1 2.64Å; V481-W1696 HydrophobicContact CB-CE3 4.41Å; V481-W1696 HydrophobicContact CB-CZ3 4.4Å; V481-W1696 WeakPolarHBondContact O-CB 3.36Å
1697	R	32.3	Very low	35.2	Very low	174 Å²	174	119.4 Å²	119.4	66%	0.657	61%	0.611	S	S	*	*			trans	-164.6	129.2	160.1	-169.1	-146	-165.1	-81.8	13.8	110.5	V481 E482	V481-R1697 CarbonylContact O-C 3.42Å; V481-R1697 VanDerWaalsContact O-CA 3.27Å; V481-R1697 WeakPolarHBondContact O-CA 3.27Å; V481-R1697 PolarHBondContact O-N 2.89Å; E482-R1697 WeakPolarHBondContact CG-O 3.18Å
1698	D	34.5	Very low	35.5	Very low	49 Å²	49	120.3 Å²	120.3	26%	0.262	62%	0.615	S	S	.	*			trans	-99	148	179.7	-140.3	-36.5	0	0	0	114.3	V481 E482 R483	V481-D1698 HydrophobicContact CB-CB 4.35Å; V481-D1698 HydrophobicContact CG1-CB 3.55Å; V481-D1698 WeakPolarHBondContact CG1-OD2 3.24Å; V481-D1698 WeakPolarHBondContact CG2-OD2 3.49Å; V481-D1698 PolarHBondContact O-N 2.72Å; V481-D1698 VanDerWaalsContact O-N 3.11Å; E482-D1698 VanDerWaalsContact CA-CG 3.47Å; E482-D1698 WeakPolarHBondContact CA-OD2 3.37Å; E482-D1698 VanDerWaalsContact N-CG 3.31Å; E482-D1698 PolarHBondContact N-OD2 3.43Å; R483-D1698 VanDerWaalsContact N-CG 3.32Å; R483-D1698 PolarHBondContact N-OD1 3.04Å
1699	P	36.9	Very low	35.9	Very low	68 Å²	68	121 Å²	121	44%	0.442	62%	0.616	S	S	.	*			trans	-117.7	-123.7	157.5	39.8	-27	0	0	0	110.7
1700	M	32.3	Very low	36.2	Very low	64 Å²	64	121 Å²	121	32%	0.315	63%	0.625	S	S	.	*			trans	-162.9	125.1	-160.8	-169.8	95.7	58	0	0	117.6	V484 A505 E506 S507	V484-M1700 VanDerWaalsContact CB-C 3.46Å; V484-M1700 WeakPolarHBondContact CG1-O 3.37Å; A505-M1700 HydrophobicContact CB-CE 4.27Å; E506-M1700 VanDerWaalsContact O-CE 3.31Å; E506-M1700 WeakPolarHBondContact O-CE 3.2Å; S507-M1700 VanDerWaalsContact OG-CB 3.28Å; S507-M1700 WeakPolarHBondContact OG-CB 3.23Å; S507-M1700 VanDerWaalsContact OG-CG 3.23Å; S507-M1700 WeakPolarHBondContact OG-CG 3.36Å; S507-M1700 PolarHBondContact OG-O 2.93Å; S507-M1700 VanDerWaalsContact OG-O 3.1Å
1701	S	38.2	Very low	36.2	Very low	42 Å²	42	119.4 Å²	119.4	29%	0.294	62%	0.62	S	S	.	*			trans	76.2	89	154.5	-90	0	0	0	0	126.3	V484	V484-S1701 WeakPolarHBondContact CG1-O 3.31Å; V484-S1701 VanDerWaalsContact CG2-C 3.45Å
1702	R	38.7	Very low	36.3	Very low	172 Å²	172	122 Å²	122	65%	0.649	61%	0.613	S	S	*	*			trans	57.4	131.2	166.6	-28	101.3	-149	-131.5	10.3	117.1	G485 E486	G485-R1702 CarbonylContact C-O 3.15Å; G485-R1702 VanDerWaalsContact C-O 3.25Å; G485-R1702 CarbonylContact O-C 3.29Å; E486-R1702 CarbonylContact C-O 3.2Å; E486-R1702 PolarHBondContact N-O 2.74Å
1703	R	35.4	Very low	36.3	Very low	188 Å²	188	122.9 Å²	122.9	71%	0.709	61%	0.608	S	S	*	*				60.2	143.6	56.8	-56.2	-170.8	-178.7	-167.6	1.9	111.8	G485	G485-R1703 PolarHBondContact O-N 3.45Å
1704	I	42.2	Very low	36.4	Very low	102 Å²	102	124.5 Å²	124.5	52%	0.523	61%	0.611	S	S	.	*			cis	-174.7	-178.8	45	-154.6	156.4	0	0	0	113.2	M487	M487-I1704 HydrophobicContact CE-CG2 4.02Å; M487-I1704 WeakPolarHBondContact CE-O 3.21Å
1705	D	34.7	Very low	36.4	Very low	136 Å²	136	125.3 Å²	125.3	73%	0.727	62%	0.622	S	S	*	*			trans	73.9	140.3	158.5	-77.5	-5.8	0	0	0	121.9
1706	S	38.6	Very low	36.4	Very low	86 Å²	86	123.2 Å²	123.2	60%	0.601	62%	0.619	S	S	*	*			cis	-166.4	171	-8.7	51	0	0	0	0	114.1
1707	L	39.3	Very low	36.5	Very low	151 Å²	151	126.3 Å²	126.3	79%	0.791	64%	0.635	S	S	*	*			trans	79.8	135.7	162.1	-58.9	168.8	0	0	0	118.6
1708	D	38.9	Very low	36.5	Very low	142 Å²	142	124.1 Å²	124.1	76%	0.759	64%	0.641	S	S	*	*			cis	-166.7	177.1	-20.2	-150.2	-16.2	0	0	0	111.2
1709	E	38.3	Very low	36.6	Very low	165 Å²	165	127 Å²	127	77%	0.771	66%	0.661	S	S	*	*			trans	80.7	98.7	165.5	-59.1	-158.3	148.9	0	0	121.1
1710	S	37.7	Very low	36.5	Very low	109 Å²	109	130.6 Å²	130.6	76%	0.762	68%	0.676	S	S	*	*				79.1	138	127.9	81.3	0	0	0	0	119.4
1711	E	35.2	Very low	36.6	Very low	155 Å²	155	132.3 Å²	132.3	72%	0.724	69%	0.694	S	S	*	*			cis	-143	153.6	-9.7	-50.9	-178.8	126.6	0	0	106
1712	H	37.1	Very low	36.5	Very low	130 Å²	130	138.2 Å²	138.2	60%	0.602	72%	0.722	S	S	*	*				-179.4	131.9	51.5	-130.3	-61.3	0	0	0	113.2
1713	E	35.1	Very low	36.3	Very low	152 Å²	152	136 Å²	136	71%	0.71	73%	0.731	S	S	*	*			trans	63.9	144.7	159	-43.6	-145.8	118.1	0	0	122.8
1714	Q	36.4	Very low	36.2	Very low	159 Å²	159	132.2 Å²	132.2	74%	0.743	73%	0.734	S	S	*	*			cis	-160.5	135.2	-31.1	-95.3	-150.7	20.1	0	0	109.5
1715	P	31	Very low	36	Very low	129 Å²	129	132.6 Å²	132.6	84%	0.838	74%	0.743	S	S	*	*			trans	-87.6	131.1	-179.9	33	-34.1	0	0	0	114
1716	S	35.5	Very low	35.8	Very low	93 Å²	93	130.6 Å²	130.6	65%	0.65	74%	0.739	S	S	*	*			trans	-164.1	142.5	165.9	87.6	0	0	0	0	110.2
1717	K	38.2	Very low	35.3	Very low	186 Å²	186	131.1 Å²	131.1	81%	0.809	74%	0.743	S	S	*	*			cis	-147.3	157.2	16.5	-65.9	174.8	-179.6	58	0	112.8
1718	V	31.3	Very low	34.9	Very low	128 Å²	128	126.8 Å²	126.8	78%	0.776	73%	0.725	S	S	*	*			trans	-84.2	161.9	155.2	163.6	0	0	0	0	110
1719	T	37.9	Very low	35.1	Very low	111 Å²	111	127.4 Å²	127.4	68%	0.681	73%	0.728	S	S	*	*			trans	70.6	106.9	172.4	44.8	0	0	0	0	119.4
1720	D	33.6	Very low	34.8	Very low	143 Å²	143	123.6 Å²	123.6	77%	0.765	71%	0.712	S	S	*	*				79.5	130.1	115.6	-60.8	0.3	0	0	0	123.5
1721	S	36.4	Very low	34.4	Very low	99 Å²	99	121.4 Å²	121.4	69%	0.692	70%	0.697	S	S	*	*			trans	78.6	84.8	138.1	-67	0	0	0	0	120.7
1722	L	34.8	Very low	34.3	Very low	166 Å²	166	119.6 Å²	119.6	87%	0.869	69%	0.693	S	S	*	*				70	160.9	126.6	-63.1	167.9	0	0	0	119.7
1723	C	35.7	Very low	34.3	Very low	126 Å²	126	124.6 Å²	124.6	85%	0.851	71%	0.706	S	S	*	*			trans	68.5	75.6	174.5	-68.8	0	0	0	0	117.6
1724	S	32.6	Very low	34.2	Very low	109 Å²	109	127.3 Å²	127.3	76%	0.762	72%	0.716	S	S	*	*			trans	-46.1	166.8	130.5	56.2	0	0	0	0	113
1725	P	37.4	Very low	34.2	Very low	110 Å²	110	122.3 Å²	122.3	71%	0.714	71%	0.707	S	S	*	*			cis	-138.3	175.8	11.5	40.3	-21.3	0	0	0	117.3
1726	S	30.2	Very low	34.4	Very low	93 Å²	93	122.8 Å²	122.8	65%	0.65	70%	0.698	S	S	*	*			trans	58	117.8	141.9	68.7	0	0	0	0	122.4
1727	S	29.3	Very low	34.2	Very low	97 Å²	97	123.4 Å²	123.4	68%	0.678	69%	0.694	S	S	*	*				61.1	164.3	119.7	90.9	0	0	0	0	120.1
1728	S	29.3	Very low	33.9	Very low	60 Å²	60	120.6 Å²	120.6	42%	0.42	68%	0.682	S	S	.	*			cis	-157.9	154.6	0.1	63.5	0	0	0	0	109.4
1729	D	43.2	Very low	33.8	Very low	155 Å²	155	121.2 Å²	121.2	83%	0.829	68%	0.68	S	S	*	*			trans	-178.5	108.8	146.2	-93	-15.7	0	0	0	107.2
1730	I	32.5	Very low	33.3	Very low	85 Å²	85	120.7 Å²	120.7	44%	0.436	68%	0.681	S	S	.	*			cis	63.2	124.4	25	-49.4	-175.4	0	0	0	111.2	K1738	I1730-K1738 HydrophobicContact CD1-CD 4.45Å; I1730-K1738 HydrophobicContact CD1-CG 3.78Å
1731	S	29.4	Very low	33	Very low	63 Å²	63	118.8 Å²	118.8	44%	0.441	68%	0.679	S	S	.	*			cis	-165	-173.6	-10.9	175.4	0	0	0	0	107.6
1732	N	33.2	Very low	32.6	Very low	118 Å²	118	122 Å²	122	63%	0.631	69%	0.687	S	S	*	*			trans	108.8	118.9	172.4	-70	-82.8	0	0	0	113.7
1733	R	37.8	Very low	32.5	Very low	235 Å²	235	117.1 Å²	117.1	89%	0.887	68%	0.677	S	S	*	*	S	Bend	cis	-140.4	142.7	11.6	-62.8	-176.6	176.3	157.1	0.3	108.6
1734	K	33.3	Very low	32.4	Very low	209 Å²	209	119.1 Å²	119.1	91%	0.909	67%	0.674	S	S	*	*	S	Bend	cis	-163.4	139.1	12.4	175.8	-166.1	179.2	-159.3	0	107.9
1735	G	36.1	Very low	32.4	Very low	54 Å²	54	120.4 Å²	120.4	56%	0.557	67%	0.672	S	S	*	*			cis	-96.7	-179	-17.8	0	0	0	0	0	111.5
1736	E	34.1	Very low	32.2	Very low	138 Å²	138	121.7 Å²	121.7	65%	0.645	67%	0.673	S	S	*	*			cis	67.8	123.6	47.2	-59.2	-169	178.1	0	0	112.8
1737	N	33	Very low	32.2	Very low	107 Å²	107	125.7 Å²	125.7	57%	0.572	68%	0.681	S	S	*	*			cis	-157.8	150.5	-4	-110.2	-40.8	0	0	0	113.1
1738	K	31.6	Very low	32.3	Very low	127 Å²	127	124.2 Å²	124.2	55%	0.552	68%	0.682	S	S	*	*			trans	19.2	125.7	146.2	-61.7	179.6	-177.4	-168.8	0	120.8	I1730	I1730-K1738 HydrophobicContact CD1-CD 4.45Å; I1730-K1738 HydrophobicContact CD1-CG 3.78Å
1739	L	29.3	Very low	32.3	Very low	140 Å²	140	127.7 Å²	127.7	73%	0.733	69%	0.694	S	S	*	*				32.2	140.9	116.4	-82.9	166.4	0	0	0	121
1740	S	25.7	Very low	32.1	Very low	100 Å²	100	126.3 Å²	126.3	70%	0.699	69%	0.691	S	S	*	*			trans	77.7	99.6	151.1	71.2	0	0	0	0	120.3
1741	S	27.8	Very low	32.1	Very low	104 Å²	104	128.6 Å²	128.6	73%	0.727	70%	0.7	S	S	*	*				79.9	142.8	113.3	71	0	0	0	0	122.4
1742	L	27.4	Very low	32.3	Very low	167 Å²	167	134.1 Å²	134.1	87%	0.874	72%	0.717	S	S	*	*			trans	76	149.8	155.5	-117.1	70.7	0	0	0	117.3
1743	G	33.9	Very low	32.2	Very low	63 Å²	63	134.6 Å²	134.6	65%	0.649	72%	0.719	S	S	*	*			trans	91.1	88.6	-158.6	0	0	0	0	0	108.6
1744	E	34.2	Very low	32	Very low	168 Å²	168	129 Å²	129	79%	0.785	72%	0.716	S	S	*	*				57.7	104.8	52.7	-59.7	-176.1	139.9	0	0	112.6
1745	N	30.9	Very low	32.1	Very low	136 Å²	136	122.8 Å²	122.8	73%	0.727	70%	0.704	S	S	*	*				91.2	151.5	129.5	-71.4	35.2	0	0	0	122.1
1746	D	33.5	Very low	32	Very low	137 Å²	137	128.3 Å²	128.3	73%	0.733	72%	0.715	S	S	*	*			trans	73.7	94.6	155.5	-53.7	-19.7	0	0	0	119.1
1747	Q	30.7	Very low	32.1	Very low	176 Å²	176	127.8 Å²	127.8	82%	0.822	72%	0.715	S	S	*	*				37.2	110.2	120.6	-111.9	67.3	-1.5	0	0	118.8
1748	G	32.4	Very low	32.1	Very low	67 Å²	67	128.6 Å²	128.6	69%	0.691	72%	0.72	S	S	*	*				94.7	153.5	98	0	0	0	0	0	120.6
1749	I	29.2	Very low	32.5	Very low	133 Å²	133	130 Å²	130	68%	0.682	73%	0.731	S	S	*	*			trans	62.5	101.7	143	-48	163.8	0	0	0	117.8	E1751	I1749-E1751 HydrophobicContact CG2-CG 4.19Å
1750	T	39.1	Very low	32.7	Very low	125 Å²	125	129.5 Å²	129.5	77%	0.767	73%	0.729	S	S	*	*				-176.1	93.2	123.2	17.9	0	0	0	0	107.8
1751	E	32.1	Very low	33.2	Very low	133 Å²	133	131.2 Å²	131.2	62%	0.621	73%	0.725	S	S	*	*				69.6	122	82.3	-69.6	173.5	167.8	0	0	114.2	I1749	I1749-E1751 HydrophobicContact CG2-CG 4.19Å
1752	F	32.9	Very low	33.5	Very low	180 Å²	180	133.1 Å²	133.1	79%	0.789	72%	0.723	S	S	*	*				-175.8	85.7	110.4	-115.2	-89.9	0	0	0	114.4
1753	N	32	Very low	33.9	Very low	127 Å²	127	133.4 Å²	133.4	68%	0.679	72%	0.72	S	S	*	*			trans	45.3	138.1	132.9	-64.5	-7.1	0	0	0	125.8
1754	S	33.5	Very low	33.7	Very low	117 Å²	117	140 Å²	140	82%	0.818	73%	0.726	S	S	*	*			trans	82.4	141.4	141.1	-63.1	0	0	0	0	121.3
1755	A	34.1	Very low	33.6	Very low	79 Å²	79	140 Å²	140	65%	0.653	73%	0.73	S	S	*	*			cis	-172.6	169.7	-14.9	0	0	0	0	0	112.9
1756	H	35.5	Very low	33.8	Very low	170 Å²	170	135.9 Å²	135.9	79%	0.787	72%	0.72	S	S	*	*			trans	90.5	121	153.1	-78.9	-76.7	0	0	0	124.2
1757	I	34.4	Very low	33.8	Very low	128 Å²	128	134.7 Å²	134.7	66%	0.656	72%	0.718	S	S	*	*				98.9	102.8	125.1	-76.3	172.6	0	0	0	123.6
1758	D	34.9	Very low	33.8	Very low	124 Å²	124	133.9 Å²	133.9	66%	0.663	72%	0.717	S	S	*	*				70.3	141.9	119.3	-49.9	-7.1	0	0	0	128.3
1759	I	38.6	Very low	33.9	Very low	155 Å²	155	135.2 Å²	135.2	80%	0.795	71%	0.712	S	S	*	*			trans	78.3	152.3	141.8	-78.8	158.5	0	0	0	121
1760	L	34.9	Very low	34.1	Very low	130 Å²	130	136.2 Å²	136.2	68%	0.681	71%	0.714	S	S	*	*			cis	-177.3	165	-47.6	-121.9	177.6	0	0	0	111.5
1761	H	35.8	Very low	33.7	Very low	136 Å²	136	137.4 Å²	137.4	63%	0.63	71%	0.71	S	S	*	*			trans	65.7	142.5	170.2	-68	-70.7	0	0	0	117.6
1762	Q	33.5	Very low	33.7	Very low	145 Å²	145	139.5 Å²	139.5	68%	0.678	72%	0.72	S	S	*	*			cis	76	145.7	44	-62.4	177.2	-3.9	0	0	113.3
1763	Q	35.2	Very low	33.7	Very low	172 Å²	172	135.6 Å²	135.6	80%	0.804	72%	0.715	S	S	*	*			cis	-154.3	168.4	13.7	-140.4	159.2	6.5	0	0	113.4
1764	Y	31.1	Very low	33.5	Very low	201 Å²	201	134.5 Å²	134.5	79%	0.788	72%	0.716	S	S	*	*			trans	-82.9	149.7	177.6	-120	-114.1	0	0	0	112.9
1765	I	32.5	Very low	33.2	Very low	170 Å²	170	134.7 Å²	134.7	87%	0.872	71%	0.713	S	S	*	*			trans	-120.3	145.1	137.1	-67.7	-178	0	0	0	106.2
1766	G	35	Very low	33	Very low	49 Å²	49	135.8 Å²	135.8	51%	0.505	71%	0.711	S	S	.	*			trans	-65.7	150.2	-166.7	0	0	0	0	0	115.5
1767	T	32.6	Very low	32.6	Very low	112 Å²	112	136.8 Å²	136.8	69%	0.687	71%	0.713	S	S	*	*			trans	14.7	130	144.8	54.1	0	0	0	0	117.3
1768	I	30.4	Very low	32.7	Very low	158 Å²	158	135.7 Å²	135.7	81%	0.81	72%	0.715	S	S	*	*				-142.9	109.4	70.3	-88.4	162.1	0	0	0	108.3
1769	V	34.2	Very low	32.3	Very low	96 Å²	96	135.7 Å²	135.7	58%	0.582	72%	0.715	S	S	*	*				91.3	116.4	92.1	158.6	0	0	0	0	112.2
1770	E	33.7	Very low	31.9	Very low	154 Å²	154	137 Å²	137	72%	0.72	72%	0.715	S	S	*	*			trans	60.5	144.8	148.3	-69.2	172.4	-177.6	0	0	119.2
1771	E	31.8	Very low	31.9	Very low	149 Å²	149	135.8 Å²	135.8	70%	0.696	72%	0.715	S	S	*	*			cis	-156.6	-163.9	-11	-138	-177.1	-161.8	0	0	109.5
1772	Q	31.4	Very low	31.5	Very low	178 Å²	178	139 Å²	139	83%	0.832	72%	0.723	S	S	*	*			trans	77.3	138	166.9	-50.2	-172.4	23	0	0	116.7
1773	S	32	Very low	31.3	Very low	98 Å²	98	140.3 Å²	140.3	69%	0.685	73%	0.726	S	S	*	*			cis	-157.9	167.9	-18.8	58.7	0	0	0	0	111.9
1774	C	28.3	Very low	31	Very low	103 Å²	103	138 Å²	138	70%	0.696	72%	0.719	S	S	*	*			trans	29.5	105.3	142.8	-68.6	0	0	0	0	119
1775	T	27.9	Very low	30.9	Very low	122 Å²	122	134.7 Å²	134.7	75%	0.748	71%	0.711	S	S	*	*				62.7	130.8	79.3	71.2	0	0	0	0	113.7
1776	V	29.4	Very low	30.7	Very low	102 Å²	102	134.9 Å²	134.9	62%	0.618	70%	0.701	S	S	*	*			cis	-176.3	170.4	12.2	110.7	0	0	0	0	112.2
1777	F	27.2	Very low	30.6	Very low	190 Å²	190	138.5 Å²	138.5	83%	0.833	71%	0.709	S	S	*	*			trans	71.5	166.4	166	-70.2	-30.6	0	0	0	118.1
1778	P	37	Very low	30.5	Very low	105 Å²	105	137.7 Å²	137.7	68%	0.682	71%	0.708	S	S	*	*			cis	-131.6	158.7	0.9	14.9	11.1	0	0	0	118.7
1779	N	26.8	Very low	30.6	Very low	124 Å²	124	136.7 Å²	136.7	66%	0.663	70%	0.703	S	S	*	*			trans	62	113.9	143.2	-78.5	-64.1	0	0	0	123.2
1780	K	29.2	Very low	30.3	Very low	183 Å²	183	139.2 Å²	139.2	80%	0.796	71%	0.712	S	S	*	*			trans	70.9	157.4	132.1	-61.4	170.5	-178.5	164.6	0	119.4
1781	P	35.9	Very low	30.1	Very low	105 Å²	105	138.2 Å²	138.2	68%	0.682	72%	0.716	S	S	*	*				-135.9	-161.2	-51	39.2	-20.6	0	0	0	111
1782	Y	26.9	Very low	30.1	Very low	204 Å²	204	140.1 Å²	140.1	80%	0.8	72%	0.718	S	S	*	*			trans	83.7	143.6	170.9	-81.5	-78.9	0	0	0	119.4
1783	F	29.4	Very low	30.3	Very low	171 Å²	171	134.5 Å²	134.5	75%	0.75	71%	0.708	S	S	*	*			trans	61	128.6	156.2	-81.8	-67.9	0	0	0	122.5
1784	N	29.1	Very low	30.2	Very low	123 Å²	123	138.7 Å²	138.7	66%	0.658	71%	0.714	S	S	*	*			trans	54.4	117	146.4	-77.4	17.8	0	0	0	122.3
1785	E	28.6	Very low	30.3	Very low	132 Å²	132	142 Å²	142	62%	0.617	72%	0.72	S	S	*	*				45.8	122.8	118.8	-62.3	-165	121.4	0	0	120.5
1786	R	28	Very low	30.6	Very low	174 Å²	174	139.2 Å²	139.2	66%	0.657	70%	0.703	S	S	*	*				117.1	148.2	126.9	-98.4	-172	-152.9	72.7	24.8	118.2
1787	D	32	Very low	30.5	Very low	126 Å²	126	142.9 Å²	142.9	67%	0.674	71%	0.714	S	S	*	*			trans	63.7	96.2	153.1	-51	-18.2	0	0	0	118.8
1788	S	30.6	Very low	30.7	Very low	95 Å²	95	138.8 Å²	138.8	66%	0.664	71%	0.709	S	S	*	*				21.4	133.8	118.5	60	0	0	0	0	117.6
1789	L	33.1	Very low	30.4	Very low	137 Å²	137	138.1 Å²	138.1	72%	0.717	70%	0.703	S	S	*	*				-139.3	141.9	55.8	-118.4	89.7	0	0	0	115.8	T1791	L1789-T1791 PolarHBondContact O-N 3.34Å; L1789-T1791 VanDerWaalsContact O-N 3.11Å
1790	I	28.1	Very low	30.9	Very low	148 Å²	148	139.5 Å²	139.5	76%	0.759	71%	0.705	S	S	*	*			trans	11.6	88	139.8	-47.8	171.3	0	0	0	114.6
1791	T	30.1	Very low	31.2	Very low	133 Å²	133	134.5 Å²	134.5	82%	0.816	69%	0.693	S	S	*	*			trans	-115.4	133.7	158.7	-59.8	0	0	0	0	107.8	L1789 G1793	L1789-T1791 PolarHBondContact O-N 3.34Å; L1789-T1791 VanDerWaalsContact O-N 3.11Å; T1791-G1793 PolarHBondContact O-N 2.81Å
1792	Y	31.9	Very low	31.3	Very low	189 Å²	189	136.3 Å²	136.3	74%	0.741	70%	0.697	S	S	*	*			trans	-55.8	130.6	-176.8	-81.7	-161.3	0	0	0	111.5	K1794 P1796	Y1792-K1794 PolarHBondContact O-N 3.06Å; Y1792-P1796 HydrophobicContact CD1-CG 3.49Å; Y1792-P1796 VanDerWaalsContact CD1-CG 3.49Å; Y1792-P1796 HydrophobicContact CE1-CG 3.54Å; Y1792-P1796 HydrophobicContact CG-CG 4.3Å
1793	G	34.4	Very low	31.6	Very low	60 Å²	60	134.2 Å²	134.2	62%	0.619	70%	0.695	S	S	*	*			trans	-67.2	120.5	153.9	0	0	0	0	0	108.3	T1791 Q1795 P1796	T1791-G1793 PolarHBondContact O-N 2.81Å; G1793-Q1795 CarbonylContact O-C 3.49Å; G1793-Q1795 VanDerWaalsContact O-CA 3.27Å; G1793-Q1795 WeakPolarHBondContact O-CA 3.42Å; G1793-Q1795 PolarHBondContact O-N 2.97Å; G1793-Q1795 VanDerWaalsContact O-N 3.09Å; G1793-P1796 WeakPolarHBondContact O-CD 3.32Å
1794	K	30.5	Very low	31.8	Very low	186 Å²	186	135 Å²	135	81%	0.809	70%	0.697	S	S	*	*	S	Bend	trans	-57.7	113.7	162.3	-102.7	-171.4	175.9	-177.8	0	106.1	Y1792	Y1792-K1794 PolarHBondContact O-N 3.06Å
1795	Q	30	Very low	32	Very low	174 Å²	174	138 Å²	138	81%	0.813	71%	0.708	S	S	*	*			cis	-133.6	135.9	6.2	-67.7	162.1	-94.1	0	0	112.4	G1793	G1793-Q1795 CarbonylContact O-C 3.49Å; G1793-Q1795 VanDerWaalsContact O-CA 3.27Å; G1793-Q1795 WeakPolarHBondContact O-CA 3.42Å; G1793-Q1795 PolarHBondContact O-N 2.97Å; G1793-Q1795 VanDerWaalsContact O-N 3.09Å
1796	P	33.6	Very low	32.3	Very low	62 Å²	62	137.7 Å²	137.7	40%	0.403	71%	0.71	S	S	.	*			trans	-71	155.6	150.6	31.5	-27.1	0	0	0	109.1	Y1792 G1793	Y1792-P1796 HydrophobicContact CD1-CG 3.49Å; Y1792-P1796 VanDerWaalsContact CD1-CG 3.49Å; Y1792-P1796 HydrophobicContact CE1-CG 3.54Å; Y1792-P1796 HydrophobicContact CG-CG 4.3Å; G1793-P1796 WeakPolarHBondContact O-CD 3.32Å
1797	Q	27.8	Very low	32.8	Very low	180 Å²	180	132.7 Å²	132.7	84%	0.841	70%	0.702	S	S	*	*			cis	66.1	64.8	47.6	-62.7	-165.9	-23.9	0	0	114.3
1798	S	31.4	Very low	32.9	Very low	103 Å²	103	132.8 Å²	132.8	72%	0.72	70%	0.701	S	S	*	*				-114.4	141.5	101.7	89.3	0	0	0	0	106.2
1799	T	31.7	Very low	33.2	Very low	92 Å²	92	132.1 Å²	132.1	56%	0.564	69%	0.693	S	S	*	*			cis	63.2	139.8	41.3	80.8	0	0	0	0	111.9
1800	H	37.5	Very low	33.3	Very low	153 Å²	153	130.2 Å²	130.2	71%	0.708	69%	0.691	S	S	*	*			cis	-118.7	163.7	6.7	-75.3	-88.2	0	0	0	110.3
1801	S	34.5	Very low	33.6	Very low	77 Å²	77	129.3 Å²	129.3	54%	0.538	69%	0.692	S	S	.	*			cis	66.9	143.6	37.5	108.6	0	0	0	0	112
1802	D	38.5	Very low	33.6	Very low	143 Å²	143	128.3 Å²	128.3	77%	0.765	69%	0.69	S	S	*	*			cis	-132.1	177.4	3.6	-91.3	-60.1	0	0	0	113.5
1803	E	33.7	Very low	33.9	Very low	161 Å²	161	122.2 Å²	122.2	75%	0.752	69%	0.686	S	S	*	*			trans	-75	143	-162.5	-58.8	172.3	106.9	0	0	115
1804	K	32.2	Very low	33.7	Very low	186 Å²	186	125.9 Å²	125.9	81%	0.809	70%	0.695	S	S	*	*			trans	-101.5	108.4	152.7	-106.8	-167.8	175.2	-173	0	109.8
1805	Q	35	Very low	33.7	Very low	188 Å²	188	123.6 Å²	123.6	88%	0.879	70%	0.697	S	S	*	*			trans	-140.1	88.9	149.5	-76.9	-152.6	-4.5	0	0	111.2
1806	D	34	Very low	33.5	Very low	125 Å²	125	124 Å²	124	67%	0.668	70%	0.699	S	S	*	*			trans	-59.3	143.6	142.4	-50.8	-73.9	0	0	0	107.4
1807	S	37.4	Very low	33.1	Very low	68 Å²	68	130.2 Å²	130.2	48%	0.476	72%	0.715	S	S	.	*			cis	-173	142.6	47.1	28.1	0	0	0	0	114.2
1808	I	35.6	Very low	33.2	Very low	129 Å²	129	130.5 Å²	130.5	66%	0.662	72%	0.717	S	S	*	*				38.9	128.4	124.6	-25.4	155	0	0	0	116.4	V511	V511-I1808 PolarHBondContact N-O 3.16Å
1809	T	37	Very low	33.3	Very low	81 Å²	81	131.7 Å²	131.7	50%	0.497	71%	0.711	S	S	.	*				-168.7	151.9	55.4	-34.5	0	0	0	0	109.5	E510	E510-T1809 PolarHBondContact O-N 3.21Å
1810	S	35	Very low	33	Very low	96 Å²	96	133.6 Å²	133.6	67%	0.671	72%	0.717	S	S	*	*				173.4	133	78.3	-70	0	0	0	0	115
1811	V	34.7	Very low	32.6	Very low	130 Å²	130	132.6 Å²	132.6	79%	0.788	72%	0.717	S	S	*	*				55.8	134.5	126.7	179.2	0	0	0	0	120.2
1812	S	28.9	Very low	32.3	Very low	111 Å²	111	137.7 Å²	137.7	78%	0.776	73%	0.729	S	S	*	*			cis	-176.7	169.2	-16.7	63.9	0	0	0	0	109.8
1813	G	38.4	Very low	31.9	Very low	62 Å²	62	136.2 Å²	136.2	64%	0.639	73%	0.727	S	S	*	*			trans	131.3	97.4	163.3	0	0	0	0	0	113
1814	V	29.6	Very low	31.9	Very low	136 Å²	136	133.1 Å²	133.1	82%	0.824	72%	0.719	S	S	*	*			cis	61.2	90.8	20.1	-170.5	0	0	0	0	113.6
1815	V	30.9	Very low	32	Very low	139 Å²	139	129.8 Å²	129.8	84%	0.842	72%	0.717	S	S	*	*			trans	-139.6	86.1	156	-172.3	0	0	0	0	110.3
1816	Q	25.5	Very low	31.8	Very low	181 Å²	181	123.8 Å²	123.8	85%	0.846	71%	0.705	S	S	*	*			trans	-133	98.6	140.4	-80.2	-150.3	-9.7	0	0	110.4
1817	Y	26.8	Very low	31.5	Very low	193 Å²	193	121.6 Å²	121.6	76%	0.757	70%	0.7	S	S	*	*			trans	-94.3	104	152.7	-107.9	-85.4	0	0	0	107.1	H1819	Y1817-H1819 HydrophobicContact CD1-CB 4.03Å; Y1817-H1819 AromaticContact CD1-CG 3.83Å; Y1817-H1819 AromaticContact CD1-ND1 3.42Å; Y1817-H1819 WeakPolarHBondContact CD1-ND1 3.15Å; Y1817-H1819 AromaticContact CE1-ND1 3.66Å
1818	E	29	Very low	31.2	Very low	186 Å²	186	123.6 Å²	123.6	87%	0.869	71%	0.712	S	S	*	*			trans	-136.8	62.9	153.6	-71	-154.7	153.4	0	0	107.3
1819	H	32.6	Very low	30.9	Very low	129 Å²	129	122.1 Å²	122.1	60%	0.597	70%	0.703	S	S	*	*				65.4	90.1	67.3	-150	50.8	0	0	0	113.5	Y1817	Y1817-H1819 HydrophobicContact CD1-CB 4.03Å; Y1817-H1819 AromaticContact CD1-CG 3.83Å; Y1817-H1819 AromaticContact CD1-ND1 3.42Å; Y1817-H1819 WeakPolarHBondContact CD1-ND1 3.15Å; Y1817-H1819 AromaticContact CE1-ND1 3.66Å
1820	L	26.8	Very low	30.7	Very low	131 Å²	131	123.1 Å²	123.1	69%	0.686	71%	0.71	S	S	*	*			trans	89.1	126.8	154.8	-54.8	165.6	0	0	0	119.5
1821	D	29.3	Very low	30.7	Very low	132 Å²	132	123.2 Å²	123.2	71%	0.706	70%	0.703	S	S	*	*			trans	62.5	64.4	144.6	-81.7	-48.9	0	0	0	120.2
1822	K	27.6	Very low	31	Very low	185 Å²	185	120.8 Å²	120.8	80%	0.804	69%	0.692	S	S	*	*			trans	66.9	-178.2	148.4	-33	-175.4	-177.5	-164.9	0	115.1
1823	P	30.7	Very low	31.6	Very low	111 Å²	111	120.1 Å²	120.1	72%	0.721	68%	0.679	S	S	*	*			cis	-126.5	174.3	-19.1	41.8	-28.2	0	0	0	113.8
1824	V	32.6	Very low	31.8	Very low	97 Å²	97	120.4 Å²	120.4	59%	0.588	67%	0.666	S	S	*	*			trans	-52.2	138.3	149.7	177.1	0	0	0	0	108.8
1825	P	35.2	Very low	32.3	Very low	116 Å²	116	118.2 Å²	118.2	75%	0.753	65%	0.649	S	S	*	*			cis	-127.3	-178.4	28.4	28.9	-6.1	0	0	0	114.6
1826	G	31.2	Very low	32.7	Very low	61 Å²	61	113.8 Å²	113.8	63%	0.629	62%	0.624	S	S	*	*			cis	137.3	177.3	1.2	0	0	0	0	0	112.1
1827	S	26.4	Very low	33.1	Very low	80 Å²	80	107.6 Å²	107.6	56%	0.559	60%	0.601	S	S	*	*			trans	32	108.1	166.7	65.7	0	0	0	0	119.3	E551	E551-S1827 WeakPolarHBondContact OE2-CB 2.86Å
1828	C	31.7	Very low	33.8	Very low	109 Å²	109	101.5 Å²	101.5	74%	0.736	59%	0.587	S	S	*	*				-175.3	125.7	104.4	59.1	0	0	0	0	113.1
1829	M	28.3	Very low	34.2	Very low	98 Å²	98	98.2 Å²	98.2	48%	0.483	58%	0.579	S	S	.	*			trans	25.3	136.8	134.1	-36.1	-168	173.4	0	0	118.8	E551 T552	E551-M1829 HydrophobicContact CB-CG 4.39Å; E551-M1829 WeakPolarHBondContact OE1-CE 3.28Å; T552-M1829 HydrophobicContact CG2-CE 3.85Å; T552-M1829 HydrophobicContact CG2-CG 3.99Å; T552-M1829 HydrophobicContact CG2-SD 4.26Å; T552-M1829 WeakPolarHBondContact OG1-CA 3.35Å; T552-M1829 VanDerWaalsContact OG1-CB 3.23Å; T552-M1829 WeakPolarHBondContact OG1-CB 3.12Å; T552-M1829 WeakPolarHBondContact OG1-CG 3.42Å
1830	T	34.2	Very low	34.2	Very low	102 Å²	102	99.2 Å²	99.2	63%	0.626	59%	0.587	S	S	*	*			cis	-163.8	159.1	45.7	48.5	0	0	0	0	114
1831	D	34.9	Very low	34.5	Very low	99 Å²	99	101.5 Å²	101.5	53%	0.529	59%	0.594	S	S	.	*			trans	74.4	105	145.5	-59	-18.9	0	0	0	121	T552 A553 A554	T552-D1831 PolarHBondContact O-N 2.76Å; A553-D1831 PolarHBondContact O-N 3.03Å; A554-D1831 HydrophobicContact CB-CB 4.24Å
1832	S	39.9	Very low	34.9	Very low	79 Å²	79	102.4 Å²	102.4	55%	0.552	60%	0.595	S	S	*	*			trans	71.6	145.5	133.9	72.6	0	0	0	0	120.9	A554	A554-S1832 VanDerWaalsContact O-CA 3.25Å; A554-S1832 WeakPolarHBondContact O-CA 3.46Å; A554-S1832 VanDerWaalsContact O-CB 3.28Å; A554-S1832 WeakPolarHBondContact O-CB 3.09Å
1833	L	42.2	Very low	35	Very low	97 Å²	97	101.3 Å²	101.3	51%	0.508	60%	0.596	S	S	.	*			cis	-161.2	153.1	13.5	-135.2	155.6	0	0	0	113	P556	P556-L1833 WeakPolarHBondContact O-CD2 3.3Å
1834	D	43	Very low	35.3	Very low	68 Å²	68	101.7 Å²	101.7	36%	0.364	60%	0.601	S	S	.	*			trans	-31.2	158.8	161.8	-27.6	-17.5	0	0	0	115.4	E557	E557-D1834 PolarHBondContact N-OD2 3.07Å
1835	D	39.9	Very low	35.4	Very low	89 Å²	89	101.4 Å²	101.4	48%	0.476	61%	0.609	S	S	.	*			cis	-164.6	126.3	5	-114.4	-29	0	0	0	105.6	R558 E559	R558-D1835 VanDerWaalsContact C-CB 3.42Å; R558-D1835 WeakPolarHBondContact CA-OD2 3.15Å; R558-D1835 PolarHBondContact N-OD2 2.95Å; E559-D1835 PolarHBondContact N-OD2 2.77Å
1836	S	38.3	Very low	35.5	Very low	46 Å²	46	105 Å²	105	32%	0.322	61%	0.613	S	S	.	*				78.8	141	75.6	76.3	0	0	0	0	116.3	E559 R560 L561	E559-S1836 CarbonylContact C-O 2.89Å; R560-S1836 WeakPolarHBondContact CA-OG 3.36Å; R560-S1836 PolarHBondContact N-O 3.43Å; R560-S1836 PolarHBondContact N-OG 3.25Å; R560-S1836 VanDerWaalsContact N-OG 3.12Å; L561-S1836 PolarHBondContact N-OG 2.89Å; L561-S1836 CarbonylContact O-C 3.25Å; L561-S1836 WeakPolarHBondContact O-CB 3.05Å
1837	S	35.6	Very low	35.6	Very low	52 Å²	52	109.6 Å²	109.6	36%	0.364	62%	0.621	S	S	.	*			trans	170.8	95.9	148.5	-161.3	0	0	0	0	118.4	R560 L561	R560-S1837 VanDerWaalsContact CD-OG 3.29Å; R560-S1837 WeakPolarHBondContact CD-OG 3.27Å; R560-S1837 PolarHBondContact NH1-OG 3.09Å; R560-S1837 VanDerWaalsContact O-CA 3.26Å; R560-S1837 WeakPolarHBondContact O-CA 3.47Å; R560-S1837 PolarHBondContact O-OG 3.05Å; L561-S1837 CarbonylContact O-C 3.36Å; L561-S1837 WeakPolarHBondContact O-CA 3.44Å; L561-S1837 PolarHBondContact O-N 3.2Å
1838	S	39.9	Very low	36	Very low	64 Å²	64	110 Å²	110	45%	0.448	62%	0.624	S	S	.	*			trans	64	112.3	130.5	68.9	0	0	0	0	125.2	L561	L561-S1838 PolarHBondContact O-N 2.55Å; L561-S1838 VanDerWaalsContact O-N 3.16Å
1839	V	37.2	Very low	36.3	Very low	117 Å²	117	110.3 Å²	110.3	71%	0.709	63%	0.628	S	S	*	*				25.7	148.7	120.7	-110.8	0	0	0	0	120.3	V562	V562-V1839 HydrophobicContact CG2-CG2 4.13Å
1840	I	34.3	Very low	36.5	Very low	150 Å²	150	110.2 Å²	110.2	77%	0.769	63%	0.632	S	S	*	*			cis	-140.2	160	17.9	-10.1	175.8	0	0	0	108.4
1841	E	32.8	Very low	36.7	Very low	179 Å²	179	113 Å²	113	84%	0.836	64%	0.639	S	S	*	*			cis	-152.5	152.2	47.1	-65	-176	143.9	0	0	113.5
1842	Q	36.8	Very low	37	Very low	152 Å²	152	114.5 Å²	114.5	71%	0.71	64%	0.638	S	S	*	*				-165.3	170.8	123.6	-109.8	-164	19.6	0	0	110.9	E534	E534-Q1842 PolarHBondContact OE2-NE2 3.15Å
1843	I	29.2	Very low	36.8	Very low	162 Å²	162	111.5 Å²	111.5	83%	0.831	62%	0.617	S	S	*	*			trans	-99.2	126.3	-160.7	-62.9	167.1	0	0	0	111.6
1844	S	37.8	Very low	36.4	Very low	118 Å²	118	110.7 Å²	110.7	83%	0.825	62%	0.616	S	S	*	*			trans	-149.8	119.7	162.3	-99.5	0	0	0	0	116	K1846	S1844-K1846 PolarHBondContact O-N 3.07Å
1845	A	35	Very low	36.2	Very low	92 Å²	92	110.4 Å²	110.4	76%	0.76	62%	0.619	S	S	*	*			trans	1.2	87.4	154.2	0	0	0	0	0	119.6
1846	K	36.7	Very low	36.2	Very low	192 Å²	192	107.9 Å²	107.9	84%	0.835	61%	0.606	S	S	*	*				-165.7	122.8	122.2	-103.6	147.7	-170.2	166.4	0	114.6	S1844	S1844-K1846 PolarHBondContact O-N 3.07Å
1847	I	33.8	Very low	35.8	Very low	156 Å²	156	112.5 Å²	112.5	80%	0.8	62%	0.621	S	S	*	*	S	Bend	trans	9	109	143.3	-48.9	176.9	0	0	0	115.8
1848	S	34.6	Very low	35.7	Very low	88 Å²	88	112.5 Å²	112.5	62%	0.615	62%	0.616	S	S	*	*			trans	51.1	105.1	163.7	61.3	0	0	0	0	117.7	T1850	S1848-T1850 PolarHBondContact O-N 3.18Å
1849	S	37	Very low	35.4	Very low	117 Å²	117	114.4 Å²	114.4	82%	0.818	62%	0.624	S	S	*	*			trans	-49.3	121.2	149.4	37	0	0	0	0	110.1
1850	T	33	Very low	35.7	Very low	95 Å²	95	111.1 Å²	111.1	58%	0.583	61%	0.605	S	S	*	*			trans	-126.6	59.8	168	-44.8	0	0	0	0	108.4	S1848 T1856	S1848-T1850 PolarHBondContact O-N 3.18Å; T1850-T1856 HydrophobicContact CG2-CG2 4.4Å
1851	E	37.7	Very low	35.6	Very low	162 Å²	162	108.7 Å²	108.7	76%	0.757	59%	0.592	S	S	*	*			trans	-76.6	139.4	157.7	-58.6	-174.7	128.3	0	0	107.5
1852	Y	42.8	Very low	35.7	Very low	130 Å²	130	108.5 Å²	108.5	51%	0.51	58%	0.584	S	S	.	*	S	Bend	trans	53	69.9	174.2	-57.4	-75.8	0	0	0	113.8	Q1872	Y1852-Q1872 HydrophobicContact CD1-CB 4.3Å; Y1852-Q1872 HydrophobicContact CD1-CG 4.5Å; Y1852-Q1872 HydrophobicContact CG-CB 4.49Å
1853	S	35.2	Very low	35.6	Very low	16 Å²	16	107.6 Å²	107.6	11%	0.112	58%	0.582	C	S	.	*				50.8	72	50.4	70.3	0	0	0	0	112.8	E591 T1870 A1871 Q1872	E591-S1853 WeakPolarHBondContact OE1-CB 3.17Å; S1853-T1870 CarbonylContact C-O 3.03Å; S1853-T1870 VanDerWaalsContact C-O 3.26Å; S1853-T1870 CarbonylContact O-C 3.41Å; S1853-A1871 CarbonylContact O-C 3.32Å; S1853-A1871 WeakPolarHBondContact O-CA 3.46Å; S1853-A1871 PolarHBondContact O-N 3.05Å; S1853-Q1872 VanDerWaalsContact C-N 3.26Å; S1853-Q1872 PolarHBondContact O-N 2.91Å
1854	V	34.6	Very low	36.2	Very low	80 Å²	80	105.2 Å²	105.2	49%	0.485	58%	0.578	S	S	.	*	S	Bend		-104.8	146	89.1	103.5	0	0	0	0	105.4	A1871 Q1872	V1854-A1871 HydrophobicContact CB-CB 3.79Å; V1854-A1871 HydrophobicContact CG2-CB 3.24Å; V1854-Q1872 PolarHBondContact N-O 3.02Å
1855	S	37.9	Very low	36.1	Very low	61 Å²	61	104 Å²	104	43%	0.427	57%	0.569	S	S	.	*			cis	-134.8	92.3	-31.3	172.8	0	0	0	0	104.2	S1869 T1870	S1855-S1869 VanDerWaalsContact OG-CA 3.26Å; S1855-S1869 WeakPolarHBondContact OG-CA 2.28Å; S1855-S1869 WeakPolarHBondContact OG-CB 3.28Å; S1855-T1870 PolarHBondContact OG-N 2.57Å; S1855-T1870 VanDerWaalsContact OG-N 3.14Å
1856	T	40	Very low	35.8	Very low	36 Å²	36	101.8 Å²	101.8	22%	0.221	55%	0.547	C	S	.	.			trans	-11.5	128.7	141.9	31.8	0	0	0	0	113.2	E591 T1850 F1868 S1869	E591-T1856 PolarHBondContact OE1-OG1 2.77Å; T1850-T1856 HydrophobicContact CG2-CG2 4.4Å; T1856-F1868 WeakPolarHBondContact CB-O 2.26Å; T1856-F1868 PolarHBondContact OG1-O 2.67Å; T1856-S1869 WeakPolarHBondContact O-CA 3.27Å; T1856-S1869 PolarHBondContact O-N 3.37Å; T1856-S1869 WeakPolarHBondContact OG1-CA 3.17Å
1857	K	30.4	Very low	35.5	Very low	144 Å²	144	94.6 Å²	94.6	63%	0.626	52%	0.521	S	S	*	.			trans	-75.8	177.7	-164.6	-57.7	151.2	-179.2	173.8	0	111	F593 S1867 F1868	F593-K1857 VanDerWaalsContact CE2-O 3.31Å; F593-K1857 WeakPolarHBondContact CE2-O 3.49Å; K1857-S1867 WeakPolarHBondContact CA-OG 2.25Å; K1857-S1867 WeakPolarHBondContact CB-OG 2.26Å; K1857-S1867 PolarHBondContact N-OG 3.22Å; K1857-S1867 VanDerWaalsContact N-OG 3.14Å; K1857-S1867 CarbonylContact O-C 3.05Å; K1857-S1867 PolarHBondContact O-OG 2.76Å; K1857-F1868 VanDerWaalsContact O-CA 3.23Å; K1857-F1868 WeakPolarHBondContact O-CA 2.25Å; K1857-F1868 PolarHBondContact O-N 3.32Å
1858	M	33.6	Very low	35.7	Very low	51 Å²	51	90 Å²	90	25%	0.251	50%	0.495	S	S	.	.			trans	-127.8	118.4	141.8	-166.9	-153.1	-158.1	0	0	108.5	F593 E595 T1860 F1868	F593-M1858 HydrophobicContact CD1-CB 3.8Å; F593-M1858 HydrophobicContact CD2-CB 3.95Å; F593-M1858 HydrophobicContact CE1-CB 3.54Å; F593-M1858 HydrophobicContact CE2-CB 3.69Å; F593-M1858 HydrophobicContact CG-CB 4.03Å; F593-M1858 HydrophobicContact CZ-CB 3.51Å; E595-M1858 HydrophobicContact CG-CE 4.41Å; M1858-T1860 WeakPolarHBondContact CE-OG1 2.24Å; M1858-T1860 WeakPolarHBondContact CG-OG1 2.27Å; M1858-F1868 HydrophobicContact CB-CD2 3.91Å; M1858-F1868 HydrophobicContact CB-CE2 4.07Å; M1858-F1868 HydrophobicContact CE-CD2 4.39Å; M1858-F1868 HydrophobicContact CE-CE2 3.33Å; M1858-F1868 HydrophobicContact CE-CZ 3.69Å; M1858-F1868 HydrophobicContact CG-CD2 3.7Å; M1858-F1868 HydrophobicContact CG-CE2 3.49Å; M1858-F1868 VanDerWaalsContact CG-CE2 3.49Å; M1858-F1868 HydrophobicContact SD-CD2 4.36Å; M1858-F1868 HydrophobicContact SD-CE2 3.55Å; M1858-F1868 VanDerWaalsContact SD-CE2 3.55Å; M1858-F1868 HydrophobicContact SD-CZ 4.42Å
1859	V	32	Very low	35.6	Very low	104 Å²	104	86.4 Å²	86.4	63%	0.63	47%	0.47	S	S	*	.			trans	-139.7	70.2	148	-173	0	0	0	0	105.9	I1861	V1859-I1861 PolarHBondContact O-N 3.43Å
1860	T	43.7	Very low	35.5	Very low	48 Å²	48	83 Å²	83	29%	0.294	45%	0.445	S	S	.	.			trans	-71.1	96.4	-179.4	-55.3	0	0	0	0	109.2	L597 M1858 C1866	L597-T1860 WeakPolarHBondContact CD2-O 3.35Å; M1858-T1860 WeakPolarHBondContact CE-OG1 2.24Å; M1858-T1860 WeakPolarHBondContact CG-OG1 2.27Å; T1860-C1866 WeakPolarHBondContact CA-O 3.04Å; T1860-C1866 PolarHBondContact OG1-O 2.7Å
1861	I	33.7	Very low	35.4	Very low	99 Å²	99	79.8 Å²	79.8	51%	0.508	43%	0.428	S	S	.	.	S	Bend	trans	63.3	81.2	157.1	-48.4	171.3	0	0	0	113.6	V1859 I1863	V1859-I1861 PolarHBondContact O-N 3.43Å; I1861-I1863 HydrophobicContact CG2-CG1 4.09Å
1862	R	33.4	Very low	35.2	Very low	176 Å²	176	76.3 Å²	76.3	66%	0.664	41%	0.412	S	S	*	.	S	Bend		-157.1	120.7	101.2	-111.5	170.9	-179	167.7	2.5	113.3
1863	I	35.8	Very low	34.8	Very low	132 Å²	132	75.7 Å²	75.7	68%	0.677	42%	0.416	S	S	*	.	S	Bend	cis	-149.5	141.4	-21.9	-104.8	160.4	0	0	0	103.4	I1861	I1861-I1863 HydrophobicContact CG2-CG1 4.09Å
1864	P	41.5	Very low	34.7	Very low	113 Å²	113	79.8 Å²	79.8	73%	0.734	44%	0.442	S	S	*	.	S	Bend	cis	-106.3	171.7	-30.2	39.2	-27.4	0	0	0	110.8
1865	S	34.9	Very low	34.5	Very low	91 Å²	91	83.6 Å²	83.6	64%	0.636	46%	0.459	S	S	*	.			cis	-164.1	140.5	-12.7	41	0	0	0	0	108.7
1866	C	30.3	Very low	34.2	Very low	46 Å²	46	88.2 Å²	88.2	31%	0.311	48%	0.478	S	S	.	.			trans	-164.6	-176.5	-178.1	-90	0	0	0	0	108.6	T1860	T1860-C1866 WeakPolarHBondContact CA-O 3.04Å; T1860-C1866 PolarHBondContact OG1-O 2.7Å
1867	S	30.5	Very low	33.8	Very low	41 Å²	41	90.2 Å²	90.2	29%	0.287	50%	0.498	S	S	.	.				175.4	177.6	-53.8	60.7	0	0	0	0	107.8	K1857	K1857-S1867 WeakPolarHBondContact CA-OG 2.25Å; K1857-S1867 WeakPolarHBondContact CB-OG 2.26Å; K1857-S1867 PolarHBondContact N-OG 3.22Å; K1857-S1867 VanDerWaalsContact N-OG 3.14Å; K1857-S1867 CarbonylContact O-C 3.05Å; K1857-S1867 PolarHBondContact O-OG 2.76Å
1868	F	37.4	Very low	33.9	Very low	59 Å²	59	89.4 Å²	89.4	26%	0.259	51%	0.506	S	S	.	.			trans	-155.2	154.7	175.1	-84.1	166.7	0	0	0	114.3	E591 V592 F593 E595 T1856 K1857 M1858	E591-F1868 VanDerWaalsContact OE1-O 3.1Å; V592-F1868 HydrophobicContact CB-CB 4.01Å; V592-F1868 HydrophobicContact CB-CD1 4.42Å; V592-F1868 HydrophobicContact CG1-CB 3.97Å; V592-F1868 HydrophobicContact CG1-CD1 3.5Å; V592-F1868 VanDerWaalsContact CG1-CD1 3.5Å; V592-F1868 HydrophobicContact CG1-CE1 4.04Å; V592-F1868 HydrophobicContact CG1-CG 3.96Å; V592-F1868 HydrophobicContact CG2-CB 3.45Å; V592-F1868 VanDerWaalsContact CG2-CB 3.45Å; V592-F1868 HydrophobicContact CG2-CD1 4.23Å; V592-F1868 HydrophobicContact CG2-CG 4.3Å; F593-F1868 HydrophobicContact CB-CD2 3.47Å; F593-F1868 VanDerWaalsContact CB-CD2 3.47Å; F593-F1868 HydrophobicContact CB-CE2 3.4Å; F593-F1868 HydrophobicContact CB-CG 4.21Å; F593-F1868 HydrophobicContact CB-CZ 4.09Å; F593-F1868 HydrophobicContact CD2-CB 4.05Å; F593-F1868 AromaticContact CD2-CD2 3.42Å; F593-F1868 HydrophobicContact CD2-CD2 3.42Å; F593-F1868 VanDerWaalsContact CD2-CD2 3.42Å; F593-F1868 HydrophobicContact CD2-CE2 4.16Å; F593-F1868 HydrophobicContact CD2-CG 4.09Å; F593-F1868 HydrophobicContact CE2-CD2 4.29Å; F593-F1868 AromaticContact CG-CD2 3.68Å; F593-F1868 HydrophobicContact CG-CD2 3.68Å; F593-F1868 AromaticContact CG-CE2 3.94Å; F593-F1868 HydrophobicContact CG-CE2 3.94Å; E595-F1868 HydrophobicContact CG-CZ 4.49Å; T1856-F1868 WeakPolarHBondContact CB-O 2.26Å; T1856-F1868 PolarHBondContact OG1-O 2.67Å; K1857-F1868 VanDerWaalsContact O-CA 3.23Å; K1857-F1868 WeakPolarHBondContact O-CA 2.25Å; K1857-F1868 PolarHBondContact O-N 3.32Å; M1858-F1868 HydrophobicContact CB-CD2 3.91Å; M1858-F1868 HydrophobicContact CB-CE2 4.07Å; M1858-F1868 HydrophobicContact CE-CD2 4.39Å; M1858-F1868 HydrophobicContact CE-CE2 3.33Å; M1858-F1868 HydrophobicContact CE-CZ 3.69Å; M1858-F1868 HydrophobicContact CG-CD2 3.7Å; M1858-F1868 HydrophobicContact CG-CE2 3.49Å; M1858-F1868 VanDerWaalsContact CG-CE2 3.49Å; M1858-F1868 HydrophobicContact SD-CD2 4.36Å; M1858-F1868 HydrophobicContact SD-CE2 3.55Å; M1858-F1868 VanDerWaalsContact SD-CE2 3.55Å; M1858-F1868 HydrophobicContact SD-CZ 4.42Å
1869	S	33.1	Very low	33.8	Very low	13 Å²	13	95.7 Å²	95.7	9%	0.091	53%	0.534	C	S	.	.			trans	-79.3	-172.6	-149.2	56	0	0	0	0	124.5	E591 V592 F593 S1855 T1856	E591-S1869 CarbonylContact C-O 3.51Å; E591-S1869 WeakPolarHBondContact CA-O 2.25Å; E591-S1869 WeakPolarHBondContact CB-O 3.19Å; E591-S1869 WeakPolarHBondContact CG-O 2.71Å; E591-S1869 VanDerWaalsContact OE1-O 3.07Å; V592-S1869 VanDerWaalsContact CA-OG 3.23Å; V592-S1869 WeakPolarHBondContact CA-OG 3.09Å; V592-S1869 PolarHBondContact N-O 3.23Å; V592-S1869 PolarHBondContact N-OG 3.24Å; F593-S1869 VanDerWaalsContact CD2-CB 3.49Å; F593-S1869 VanDerWaalsContact CD2-N 3.34Å; F593-S1869 WeakPolarHBondContact CD2-OG 3.27Å; F593-S1869 VanDerWaalsContact CE2-CB 3.41Å; F593-S1869 PolarHBondContact N-OG 3.46Å; S1855-S1869 VanDerWaalsContact OG-CA 3.26Å; S1855-S1869 WeakPolarHBondContact OG-CA 2.28Å; S1855-S1869 WeakPolarHBondContact OG-CB 3.28Å; T1856-S1869 WeakPolarHBondContact O-CA 3.27Å; T1856-S1869 PolarHBondContact O-N 3.37Å; T1856-S1869 WeakPolarHBondContact OG1-CA 3.17Å
1870	T	34.1	Very low	33.5	Very low	45 Å²	45	95.6 Å²	95.6	28%	0.276	54%	0.538	S	S	.	.			trans	73.8	157.9	155.6	-22.9	0	0	0	0	117.8	V592 S1853 S1855	V592-T1870 PolarHBondContact N-OG1 2.89Å; S1853-T1870 CarbonylContact C-O 3.03Å; S1853-T1870 VanDerWaalsContact C-O 3.26Å; S1853-T1870 CarbonylContact O-C 3.41Å; S1855-T1870 PolarHBondContact OG-N 2.57Å; S1855-T1870 VanDerWaalsContact OG-N 3.14Å
1871	A	30.4	Very low	32.9	Very low	29 Å²	29	102.6 Å²	102.6	24%	0.24	56%	0.564	C	S	.	*				-137.3	112.9	-63	0	0	0	0	0	120.5	A589 V590 S1853 V1854	A589-A1871 HydrophobicContact CB-CB 3.78Å; V590-A1871 VanDerWaalsContact CA-N 3.3Å; S1853-A1871 CarbonylContact O-C 3.32Å; S1853-A1871 WeakPolarHBondContact O-CA 3.46Å; S1853-A1871 PolarHBondContact O-N 3.05Å; V1854-A1871 HydrophobicContact CB-CB 3.79Å; V1854-A1871 HydrophobicContact CG2-CB 3.24Å
1872	Q	33	Very low	32.7	Very low	88 Å²	88	102.3 Å²	102.3	41%	0.411	58%	0.577	S	S	.	*			trans	-169.8	156.2	167.2	-116	-176.3	76.1	0	0	112.8	Y1852 S1853 V1854	Y1852-Q1872 HydrophobicContact CD1-CB 4.3Å; Y1852-Q1872 HydrophobicContact CD1-CG 4.5Å; Y1852-Q1872 HydrophobicContact CG-CB 4.49Å; S1853-Q1872 VanDerWaalsContact C-N 3.26Å; S1853-Q1872 PolarHBondContact O-N 2.91Å; V1854-Q1872 PolarHBondContact N-O 3.02Å
1873	I	34.5	Very low	32.5	Very low	118 Å²	118	103.7 Å²	103.7	61%	0.605	58%	0.582	S	S	*	*			trans	61.3	146.8	151.5	-71.2	175.9	0	0	0	119.2
1874	P	34.7	Very low	32.2	Very low	101 Å²	101	103.5 Å²	103.5	66%	0.656	58%	0.58	S	S	*	*			cis	-128.2	168	13.1	42.6	-28	0	0	0	118.6
1875	L	29.3	Very low	31.7	Very low	160 Å²	160	107.2 Å²	107.2	84%	0.838	58%	0.581	S	S	*	*			trans	63.7	156.3	143.9	-77.8	166.7	0	0	0	122.5
1876	L	33	Very low	31.5	Very low	159 Å²	159	107.3 Å²	107.3	83%	0.832	58%	0.581	S	S	*	*			trans	59.9	106.2	172.8	-65.5	160.8	0	0	0	115.2
1877	A	30.6	Very low	31.7	Very low	77 Å²	77	113.5 Å²	113.5	64%	0.636	61%	0.606	S	S	*	*				90.1	136.1	62.5	0	0	0	0	0	114.2
1878	T	32.1	Very low	31.6	Very low	127 Å²	127	117.1 Å²	117.1	78%	0.779	63%	0.626	S	S	*	*			trans	47.1	108.5	156.4	51.7	0	0	0	0	119.9	S1880	T1878-S1880 PolarHBondContact O-N 3.15Å
1879	E	31.1	Very low	31.5	Very low	184 Å²	184	117.6 Å²	117.6	86%	0.86	63%	0.631	S	S	*	*				8.5	106.6	124.2	-60.8	-175.5	111.6	0	0	118.7
1880	S	27.1	Very low	31.6	Very low	101 Å²	101	124 Å²	124	71%	0.706	66%	0.657	S	S	*	*			trans	71.7	133.7	136.2	81.7	0	0	0	0	120.8	T1878	T1878-S1880 PolarHBondContact O-N 3.15Å
1881	K	29.7	Very low	31.5	Very low	195 Å²	195	125.5 Å²	125.5	85%	0.848	67%	0.666	S	S	*	*			trans	65.3	122.8	160.2	-60.1	175	179.2	174.3	0	117.9
1882	A	29.8	Very low	31.5	Very low	93 Å²	93	128.6 Å²	128.6	77%	0.769	68%	0.678	S	S	*	*			trans	69.4	166.7	146.6	0	0	0	0	0	114.5
1883	R	30	Very low	31.5	Very low	206 Å²	206	130 Å²	130	78%	0.777	68%	0.683	S	S	*	*			cis	-163.4	139.2	-19.9	-124.5	172.2	167.4	-168.1	-3	106.6
1884	M	30	Very low	31.5	Very low	128 Å²	128	127.5 Å²	127.5	63%	0.631	68%	0.675	S	S	*	*			trans	64.2	173.3	158.8	-56.6	-170.8	-65.3	0	0	112.8
1885	Y	29.6	Very low	31.4	Very low	190 Å²	190	128.6 Å²	128.6	75%	0.745	68%	0.676	S	S	*	*			cis	-137.7	151.6	18.6	-93.2	-85.2	0	0	0	114.4
1886	S	31.9	Very low	31.7	Very low	93 Å²	93	126.4 Å²	126.4	65%	0.65	67%	0.669	S	S	*	*			trans	30.8	108.7	151.1	62	0	0	0	0	119.5
1887	E	33.3	Very low	31.7	Very low	176 Å²	176	123.8 Å²	123.8	82%	0.822	66%	0.664	S	S	*	*			trans	-85.1	117.8	130.7	-77.2	-170	113.2	0	0	108.8
1888	V	29.6	Very low	31.8	Very low	117 Å²	117	125 Å²	125	71%	0.709	67%	0.667	S	S	*	*			trans	-97.4	100.5	155.4	171.4	0	0	0	0	106.6
1889	I	35.2	Very low	32.1	Very low	70 Å²	70	123.3 Å²	123.3	36%	0.359	66%	0.657	S	S	.	*			trans	-166.4	116.4	158	-100.1	133.2	0	0	0	105.5	S761	S761-I1889 WeakPolarHBondContact O-CD1 3.14Å
1890	K	34.3	Very low	32.1	Very low	147 Å²	147	118.7 Å²	118.7	64%	0.639	64%	0.641	S	S	*	*				71.3	91.1	65.3	-71.9	-167	173.8	-176	0	113.8	F760 S761	F760-K1890 CarbonylContact C-O 3.42Å; S761-K1890 PolarHBondContact N-O 3.4Å
1891	T	32.7	Very low	32.7	Very low	76 Å²	76	115 Å²	115	47%	0.466	62%	0.615	S	S	.	*				48.1	130.2	119.2	50.8	0	0	0	0	118.1	S759 F760	S759-T1891 CarbonylContact C-O 3.21Å; S759-T1891 WeakPolarHBondContact O-CB 3.24Å; S759-T1891 PolarHBondContact O-OG1 3.37Å; F760-T1891 VanDerWaalsContact CA-O 3.26Å; F760-T1891 WeakPolarHBondContact CA-O 2.87Å; F760-T1891 PolarHBondContact N-O 2.8Å; F760-T1891 VanDerWaalsContact N-O 3.09Å
1892	L	31	Very low	33	Very low	95 Å²	95	109.4 Å²	109.4	50%	0.497	60%	0.597	S	S	.	*			cis	-168.3	167.7	10.1	-119.3	161.1	0	0	0	108.3	I758	I758-L1892 HydrophobicContact CG1-CB 4.48Å; I758-L1892 WeakPolarHBondContact CG1-O 3.5Å
1893	K	31.6	Very low	33.5	Very low	117 Å²	117	109.7 Å²	109.7	51%	0.509	59%	0.59	S	S	.	*			trans	63.4	151	154.6	-119.4	96	149.4	-135.5	0	120.8	N756 D757 I758	N756-K1893 VanDerWaalsContact C-CE 3.45Å; N756-K1893 WeakPolarHBondContact O-CE 3.07Å; N756-K1893 PolarHBondContact O-NZ 2.9Å; D757-K1893 VanDerWaalsContact N-CG 3.32Å; D757-K1893 WeakPolarHBondContact O-CD 3.09Å; D757-K1893 PolarHBondContact O-NZ 2.84Å; I758-K1893 HydrophobicContact CG1-CB 4.24Å
1894	S	35.3	Very low	33.8	Very low	65 Å²	65	105 Å²	105	46%	0.455	59%	0.588	S	S	.	*			trans	61.3	130.8	146.5	59.4	0	0	0	0	120.1
1895	D	33.4	Very low	34.3	Very low	125 Å²	125	102 Å²	102	67%	0.668	59%	0.59	S	S	*	*			cis	-167	167	-7.1	-110.1	-31.2	0	0	0	111.1
1896	V	35.6	Very low	35	Very low	113 Å²	113	101.1 Å²	101.1	69%	0.685	59%	0.593	S	S	*	*			trans	49.1	101.2	145.2	174.7	0	0	0	0	116.6
1897	S	31.5	Very low	35.4	Very low	105 Å²	105	103.2 Å²	103.2	73%	0.734	60%	0.595	S	S	*	*				74.6	-172.8	79.4	96.9	0	0	0	0	115.2
1898	S	34.3	Very low	36	Very low	101 Å²	101	98.4 Å²	98.4	71%	0.706	58%	0.578	S	S	*	*			trans	71.3	137.4	-175.1	67.4	0	0	0	0	116.9
1899	T	36.6	Very low	35.9	Very low	93 Å²	93	97.5 Å²	97.5	57%	0.571	57%	0.569	S	S	*	*			cis	-151.3	175.3	-4.7	9	0	0	0	0	113.2	D603	D603-T1899 VanDerWaalsContact CG-CB 3.44Å; D603-T1899 WeakPolarHBondContact OD1-CB 3.49Å; D603-T1899 PolarHBondContact OD1-OG1 2.99Å; D603-T1899 WeakPolarHBondContact OD2-CB 3.49Å; D603-T1899 PolarHBondContact OD2-OG1 3.14Å
1900	V	31.4	Very low	36	Very low	86 Å²	86	96.3 Å²	96.3	52%	0.521	57%	0.566	S	S	.	*			trans	-137.8	151.1	-180	176.1	0	0	0	0	108.8
1901	P	40.5	Very low	36.2	Very low	25 Å²	25	96 Å²	96	16%	0.162	57%	0.568	C	S	.	*			trans	-127.6	111.7	163.2	40	-19.5	0	0	0	108	D603 A604 E605	D603-P1901 VanDerWaalsContact C-CD 3.49Å; D603-P1901 HydrophobicContact CB-CB 4.03Å; D603-P1901 HydrophobicContact CB-CG 3.36Å; A604-P1901 VanDerWaalsContact O-CG 3.27Å; A604-P1901 WeakPolarHBondContact O-CG 3.5Å; E605-P1901 WeakPolarHBondContact CB-O 3.35Å; E605-P1901 WeakPolarHBondContact CG-O 3.28Å
1902	T	35.3	Very low	36.2	Very low	76 Å²	76	96.8 Å²	96.8	47%	0.466	58%	0.577	S	S	.	*				44.6	119	91.4	76.4	0	0	0	0	113.3	E605	E605-T1902 WeakPolarHBondContact OE1-CA 3.31Å; E605-T1902 PolarHBondContact OE1-N 2.77Å
1903	T	40.2	Very low	36.2	Very low	100 Å²	100	95.1 Å²	95.1	61%	0.613	57%	0.573	S	S	*	*				-171.3	108.7	74.9	23.8	0	0	0	0	114.8	E605	E605-T1903 PolarHBondContact OE2-N 2.69Å
1904	S	35.7	Very low	36.3	Very low	106 Å²	106	93.6 Å²	93.6	74%	0.741	58%	0.577	S	S	*	*			trans	63.8	156.2	146.3	71.8	0	0	0	0	118.1
1905	G	42.4	Very low	36.2	Very low	65 Å²	65	91.6 Å²	91.6	67%	0.67	56%	0.563	S	S	*	*			cis	-167.4	159.1	-5.6	0	0	0	0	0	106.2
1906	E	42.9	Very low	36	Very low	172 Å²	172	90.5 Å²	90.5	80%	0.804	56%	0.557	S	S	*	*				-149.6	153.1	52.9	-80.2	-175.9	117.3	0	0	110.1
1907	I	40.3	Very low	35.6	Very low	137 Å²	137	89.6 Å²	89.6	70%	0.703	55%	0.545	S	S	*	.				41.4	107.7	110.3	-44.3	169	0	0	0	112.1
1908	T	45.4	Very low	35.5	Very low	76 Å²	76	88.1 Å²	88.1	47%	0.466	54%	0.535	S	S	.	.				-163.1	150.9	64	-6.6	0	0	0	0	105.6	V617 V619 F620	V617-T1908 CarbonylContact O-C 3.48Å; V619-T1908 CarbonylContact O-C 3.59Å; F620-T1908 HydrophobicContact CD2-CG2 4.45Å
1909	L	27.9	Very low	35.3	Very low	98 Å²	98	85.6 Å²	85.6	51%	0.513	52%	0.517	S	S	.	.			cis	54.1	126.8	34.2	-84.4	172.4	0	0	0	115.3	V617 V619	V617-L1909 HydrophobicContact CG1-CD2 3.49Å; V617-L1909 VanDerWaalsContact CG1-CD2 3.49Å; V617-L1909 HydrophobicContact CG1-CG 3.92Å; V617-L1909 PolarHBondContact O-N 3.04Å; V619-L1909 CarbonylContact O-C 3.59Å; V619-L1909 WeakPolarHBondContact O-CA 3.34Å; V619-L1909 PolarHBondContact O-N 2.69Å; V619-L1909 VanDerWaalsContact O-N 3.13Å
1910	P	37.9	Very low	35.3	Very low	44 Å²	44	84.9 Å²	84.9	29%	0.286	51%	0.505	S	S	.	.			cis	-130.2	153.1	30.5	44.3	-31.6	0	0	0	115.8	S618 V619 F620	S618-P1910 WeakPolarHBondContact CB-O 3.48Å; V619-P1910 WeakPolarHBondContact CB-O 2.78Å; V619-P1910 WeakPolarHBondContact CG2-O 3.06Å; F620-P1910 VanDerWaalsContact CE2-CD 3.42Å; F620-P1910 HydrophobicContact CE2-CG 4Å; F620-P1910 HydrophobicContact CZ-CG 3.93Å
1911	M	37.8	Very low	35.6	Very low	140 Å²	140	86 Å²	86	69%	0.69	50%	0.504	S	S	*	.			trans	70.2	148.8	159.8	-25.2	-150.3	99.7	0	0	116.1	S618	S618-M1911 VanDerWaalsContact CB-O 3.26Å; S618-M1911 WeakPolarHBondContact CB-O 3.39Å; S618-M1911 PolarHBondContact OG-N 2.83Å; S618-M1911 PolarHBondContact OG-O 2.7Å
1912	S	34.2	Very low	35.4	Very low	94 Å²	94	87.7 Å²	87.7	66%	0.657	53%	0.526	S	S	*	.			cis	-153.5	145.2	-18.7	29.3	0	0	0	0	110.3
1913	S	30.7	Very low	35.6	Very low	59 Å²	59	86.4 Å²	86.4	41%	0.413	53%	0.528	S	S	.	.			trans	-0.8	156.5	131.9	26.5	0	0	0	0	119.7	E2 A3	E2-S1913 WeakPolarHBondContact O-CB 3.16Å; E2-S1913 PolarHBondContact O-OG 2.89Å; E2-S1913 VanDerWaalsContact O-OG 3.14Å; A3-S1913 WeakPolarHBondContact O-CB 3.35Å; A3-S1913 PolarHBondContact O-OG 3.35Å
1914	S	32.2	Very low	35.7	Very low	86 Å²	86	90.9 Å²	90.9	60%	0.601	54%	0.542	S	S	*	.			cis	-139.9	153.1	16.2	63.9	0	0	0	0	116.6	M1	M1-S1914 WeakPolarHBondContact O-CA 2.99Å
1915	S	34.3	Very low	35.9	Very low	23 Å²	23	96 Å²	96	16%	0.161	55%	0.551	C	S	.	*			trans	-39.1	131.8	137	44.4	0	0	0	0	114.4	M1	M1-S1915 PolarHBondContact N-OG 3.44Å; M1-S1915 PolarHBondContact O-N 3.22Å; M1-S1915 PolarHBondContact O-OG 2.93Å
1916	L	29.2	Very low	35.6	Very low	102 Å²	102	97.6 Å²	97.6	53%	0.534	55%	0.551	S	S	.	*				62.8	163.5	118.4	-57.1	157.6	0	0	0	120	M82	M82-L1916 WeakPolarHBondContact O-CB 3.39Å; M82-L1916 WeakPolarHBondContact O-CD1 3.42Å
1917	Q	27.6	Very low	35.1	Very low	93 Å²	93	93 Å²	93	44%	0.435	55%	0.549	S	S	.	.			trans	59.8	120.5	172.7	-136	163.8	-5.4	0	0	121.5	E81 M82	E81-Q1917 WeakPolarHBondContact O-CA 3.36Å; E81-Q1917 WeakPolarHBondContact O-CB 3.28Å; E81-Q1917 WeakPolarHBondContact O-CG 3.03Å; E81-Q1917 PolarHBondContact O-N 2.76Å; M82-Q1917 VanDerWaalsContact CA-OE1 3.23Å
1918	S	29.4	Very low	34.9	Very low	74 Å²	74	92.6 Å²	92.6	52%	0.517	54%	0.539	S	S	.	.			trans	54.6	131.4	153.4	48.6	0	0	0	0	122.7	H645 V646	H645-S1918 CarbonylContact C-O 3.59Å; H645-S1918 VanDerWaalsContact O-CB 3.26Å; H645-S1918 WeakPolarHBondContact O-CB 2.92Å; H645-S1918 PolarHBondContact O-OG 2.91Å; V646-S1918 PolarHBondContact N-O 2.75Å
1919	S	30.4	Very low	34.2	Very low	48 Å²	48	96.5 Å²	96.5	34%	0.336	56%	0.555	S	S	.	*			trans	76.5	144.6	155.5	87.3	0	0	0	0	117.9	H645 V646	H645-S1919 VanDerWaalsContact CA-OG 3.26Å; H645-S1919 WeakPolarHBondContact CA-OG 3.38Å; H645-S1919 PolarHBondContact N-OG 2.79Å; H645-S1919 PolarHBondContact O-OG 3.23Å; V646-S1919 PolarHBondContact N-OG 2.72Å
1920	Y	35.4	Very low	34.5	Very low	78 Å²	78	99.5 Å²	99.5	31%	0.306	57%	0.571	S	S	.	*			trans	42.4	114.5	156.4	-77.2	-107.8	0	0	0	119.8	R641 R1928	R641-Y1920 VanDerWaalsContact CA-OH 3.3Å; R641-Y1920 WeakPolarHBondContact CA-OH 3.25Å; R641-Y1920 PolarHBondContact N-OH 2.91Å; R641-Y1920 VanDerWaalsContact N-OH 3.15Å; Y1920-R1928 VanDerWaalsContact CD1-NH2 3.26Å
1921	Q	37.3	Very low	34.2	Very low	110 Å²	110	104.5 Å²	104.5	51%	0.514	59%	0.588	S	S	.	*				68.4	119.4	104.4	-165.6	170.1	-10.4	0	0	113.9	Q636	Q636-Q1921 VanDerWaalsContact OE1-NE2 3.1Å
1922	G	36.7	Very low	33.9	Very low	60 Å²	60	105.1 Å²	105.1	62%	0.619	59%	0.592	S	S	*	*			cis	149.6	136.1	5	0	0	0	0	0	110.3
1923	G	39.3	Very low	33.4	Very low	49 Å²	49	107.7 Å²	107.7	51%	0.505	60%	0.599	S	S	.	*			trans	148	141.5	-172.9	0	0	0	0	0	109.2
1924	E	44	Very low	33.3	Very low	195 Å²	195	112.4 Å²	112.4	91%	0.911	62%	0.618	S	S	*	*	S	Bend	cis	-135	121.8	-1.3	-60.5	-173.2	123.8	0	0	109.2
1925	K	38.4	Very low	33.1	Very low	214 Å²	214	115.6 Å²	115.6	93%	0.93	63%	0.629	S	S	*	*	S	Bend	cis	-110.4	118	-6.2	-64.4	-177.6	177.5	-173.9	0	108.5
1926	C	36	Very low	33.5	Very low	98 Å²	98	117.8 Å²	117.8	66%	0.662	64%	0.642	S	S	*	*			trans	-116.9	136.9	-173	-60.9	0	0	0	0	112.3
1927	G	33.7	Very low	33.5	Very low	74 Å²	74	117.4 Å²	117.4	76%	0.763	64%	0.638	S	S	*	*			trans	167.6	122.4	164.4	0	0	0	0	0	111.5
1928	R	34.5	Very low	33.5	Very low	130 Å²	130	116.4 Å²	116.4	49%	0.491	64%	0.641	S	S	.	*			cis	-162.2	157.9	-17.4	-136.3	179.5	-178.3	174.8	-0.8	108.3	Y1920	Y1920-R1928 VanDerWaalsContact CD1-NH2 3.26Å
1929	I	32.7	Very low	34	Very low	157 Å²	157	115.6 Å²	115.6	81%	0.805	63%	0.634	S	S	*	*			trans	72.6	140.7	158.8	-62.9	159.8	0	0	0	117.6
1930	L	33.1	Very low	33.9	Very low	162 Å²	162	116.7 Å²	116.7	85%	0.848	64%	0.636	S	S	*	*			trans	-100.6	132.1	167.6	-71.7	143	0	0	0	109.4
1931	K	31.7	Very low	33.8	Very low	149 Å²	149	121.1 Å²	121.1	65%	0.648	66%	0.657	S	S	*	*				-169.7	-176.4	126.8	-108.2	172.3	-167.2	-180	0	112	E77	E77-K1931 IonicContact OE2-NZ 2.77Å; E77-K1931 PolarHBondContact OE2-NZ 3.28Å
1932	I	31	Very low	33.3	Very low	152 Å²	152	122 Å²	122	78%	0.779	67%	0.665	S	S	*	*			trans	-81.1	149.2	-164.9	-63.6	163.2	0	0	0	111.2
1933	D	24.4	Very low	33.1	Very low	148 Å²	148	125.1 Å²	125.1	79%	0.791	67%	0.672	S	S	*	*			trans	72.9	151.6	170.1	-83.5	-41.8	0	0	0	119.7
1934	L	29.3	Very low	32.7	Very low	158 Å²	158	128.1 Å²	128.1	83%	0.827	69%	0.686	S	S	*	*			trans	64.6	98	170.2	-61.5	176.1	0	0	0	119.5
1935	N	27.2	Very low	32.4	Very low	153 Å²	153	127 Å²	127	82%	0.818	68%	0.681	S	S	*	*			trans	69.4	-167.2	135	-131	7.1	0	0	0	114
1936	P	43	Very low	32.4	Very low	69 Å²	69	124.1 Å²	124.1	45%	0.448	68%	0.675	S	S	.	*			cis	-129.9	171.1	-33.3	17.5	6.9	0	0	0	114.9	F867	F867-P1936 HydrophobicContact CE2-CB 3.51Å; F867-P1936 HydrophobicContact CE2-CG 3.41Å; F867-P1936 VanDerWaalsContact CE2-CG 3.41Å; F867-P1936 HydrophobicContact CZ-CB 3.48Å; F867-P1936 VanDerWaalsContact CZ-CB 3.48Å; F867-P1936 HydrophobicContact CZ-CG 3.39Å
1937	E	28.4	Very low	32.5	Very low	94 Å²	94	127.4 Å²	127.4	44%	0.439	68%	0.681	S	S	.	*			trans	51.5	112.6	151.2	-63.4	176	-156.4	0	0	124.4	V865 F867	V865-E1937 HydrophobicContact CG1-CG 4.09Å; V865-E1937 WeakPolarHBondContact CG1-OE2 3.1Å; F867-E1937 HydrophobicContact CD2-CB 4.07Å; F867-E1937 HydrophobicContact CD2-CG 4.37Å; F867-E1937 WeakPolarHBondContact CD2-OE2 3.04Å; F867-E1937 HydrophobicContact CE2-CB 3.7Å; F867-E1937 HydrophobicContact CE2-CG 3.79Å; F867-E1937 WeakPolarHBondContact CE2-OE2 3.29Å; F867-E1937 WeakPolarHBondContact CG-OE2 3.12Å; F867-E1937 VanDerWaalsContact CZ-CD 3.43Å; F867-E1937 HydrophobicContact CZ-CG 4.11Å; F867-E1937 VanDerWaalsContact CZ-OE1 3.29Å; F867-E1937 WeakPolarHBondContact CZ-OE1 3.44Å; F867-E1937 PolarHBondContact N-OE2 2.85Å
1938	S	27.7	Very low	32.7	Very low	72 Å²	72	130 Å²	130	50%	0.503	68%	0.676	S	S	.	*				6.6	160.7	113.4	59.5	0	0	0	0	121.2	V865	V865-S1938 VanDerWaalsContact CG2-OG 3.24Å; V865-S1938 WeakPolarHBondContact CG2-OG 3.33Å
1939	P	40.5	Very low	32.7	Very low	57 Å²	57	129.2 Å²	129.2	37%	0.37	69%	0.689	S	S	.	*			cis	-161.2	-142.3	36	45.5	-19.6	0	0	0	116.3	S864 V865 P866	S864-P1939 WeakPolarHBondContact O-CB 3.03Å; S864-P1939 WeakPolarHBondContact O-CG 3.38Å; V865-P1939 HydrophobicContact CB-CB 4.14Å; V865-P1939 HydrophobicContact CB-CG 4.08Å; V865-P1939 HydrophobicContact CG2-CB 4.08Å; V865-P1939 WeakPolarHBondContact O-CG 3.36Å; P866-P1939 HydrophobicContact CB-CG 4.28Å; P866-P1939 HydrophobicContact CG-CG 4.34Å
1940	L	28.8	Very low	32.9	Very low	72 Å²	72	126.9 Å²	126.9	38%	0.377	68%	0.682	S	S	.	*			trans	-8.4	152.2	144.8	-87.6	52.7	0	0	0	118	E863 S864	E863-L1940 HydrophobicContact CB-CD2 4.3Å; E863-L1940 WeakPolarHBondContact O-CD2 3.45Å; S864-L1940 VanDerWaalsContact OG-CD1 3.27Å; S864-L1940 WeakPolarHBondContact OG-CD1 3.1Å
1941	F	32.7	Very low	33	Very low	170 Å²	170	125.5 Å²	125.5	75%	0.746	67%	0.671	S	S	*	*			cis	-132.8	173.1	27	-111.1	-76.1	0	0	0	115.3
1942	D	26.8	Very low	33.2	Very low	129 Å²	129	126.3 Å²	126.3	69%	0.69	68%	0.675	S	S	*	*			trans	-39.6	163.7	162.9	-68.7	-57.5	0	0	0	116.5
1943	T	32.2	Very low	33.9	Very low	125 Å²	125	123.9 Å²	123.9	77%	0.767	67%	0.669	S	S	*	*				178.7	128	104.8	29.2	0	0	0	0	115.1
1944	S	31	Very low	34.5	Very low	112 Å²	112	120.9 Å²	120.9	78%	0.783	66%	0.659	S	S	*	*			trans	59.6	174.4	147.7	63.3	0	0	0	0	118.1
1945	E	37.8	Very low	34.9	Very low	172 Å²	172	119.9 Å²	119.9	80%	0.804	66%	0.655	S	S	*	*			cis	-128.1	125.3	4.3	-58.4	171.9	135.6	0	0	108.5
1946	D	38.5	Very low	35.3	Very low	153 Å²	153	118.6 Å²	118.6	82%	0.818	65%	0.648	S	S	*	*				-179.9	149.4	100.9	-94.7	-33.1	0	0	0	106.4
1947	E	37.2	Very low	35	Very low	168 Å²	168	121 Å²	121	79%	0.785	66%	0.657	S	S	*	*			cis	-132.5	133.3	16.8	-68.6	-175.1	111.3	0	0	112.8
1948	I	37.5	Very low	35.4	Very low	127 Å²	127	123.7 Å²	123.7	65%	0.651	67%	0.669	S	S	*	*				58.5	97.5	125.6	-55.3	170.7	0	0	0	118.6
1949	C	35.9	Very low	35.9	Very low	115 Å²	115	127.2 Å²	127.2	78%	0.777	68%	0.678	S	S	*	*				69	155.9	124.7	-68.5	0	0	0	0	120.9
1950	V	36.4	Very low	35.4	Very low	108 Å²	108	131.4 Å²	131.4	66%	0.655	70%	0.696	S	S	*	*			cis	-168.2	134.6	-15.8	125.3	0	0	0	0	106.2
1951	E	34.8	Very low	35.7	Very low	133 Å²	133	133.8 Å²	133.8	62%	0.621	71%	0.709	S	S	*	*			trans	47.1	121.6	141.2	-54.7	-167.6	114.2	0	0	121.1
1952	K	36.2	Very low	35.8	Very low	166 Å²	166	129.4 Å²	129.4	72%	0.722	70%	0.7	S	S	*	*				104.5	166.3	77	-87.7	-174.1	-176.3	159.6	0	112.3
1953	P	45.4	Very low	36	Very low	100 Å²	100	128.7 Å²	128.7	65%	0.649	70%	0.695	S	S	*	*			cis	-140	-171.2	-32	35.3	-16.2	0	0	0	113.6
1954	S	37.3	Very low	36.1	Very low	85 Å²	85	127.5 Å²	127.5	59%	0.594	69%	0.688	S	S	*	*				99.4	121.5	124.6	-88	0	0	0	0	121.9
1955	D	36.9	Very low	36.3	Very low	138 Å²	138	126.1 Å²	126.1	74%	0.738	68%	0.684	S	S	*	*				80.9	135.7	124	-56.3	7.5	0	0	0	120.1
1956	D	37.1	Very low	36	Very low	126 Å²	126	125.1 Å²	125.1	67%	0.674	68%	0.684	S	S	*	*			cis	-170.2	-177.9	-23.9	-147.1	-16.2	0	0	0	110.7
1957	L	36.2	Very low	35.5	Very low	120 Å²	120	124.7 Å²	124.7	63%	0.628	68%	0.681	S	S	*	*			trans	86.9	109.7	157.6	-52.5	-169	0	0	0	120.8
1958	Q	36.6	Very low	35	Very low	149 Å²	149	122.8 Å²	122.8	70%	0.696	68%	0.681	S	S	*	*				63.4	146.5	116.6	-66.7	176.1	-21.7	0	0	121.1
1959	Q	37.6	Very low	34.7	Very low	147 Å²	147	122.5 Å²	122.5	69%	0.687	69%	0.69	S	S	*	*			cis	-164.1	158	-18.8	-124.2	167.7	-22.8	0	0	108.9
1960	L	29.7	Very low	34.8	Very low	144 Å²	144	121 Å²	121	75%	0.754	69%	0.686	S	S	*	*			trans	7	123.3	151.9	-59.7	165.9	0	0	0	119
1961	N	35.8	Very low	34.7	Very low	123 Å²	123	122 Å²	122	66%	0.658	69%	0.693	S	S	*	*				-179.1	138.3	103	-100.7	-0.6	0	0	0	115.4
1962	S	34.3	Very low	34.9	Very low	78 Å²	78	122 Å²	122	55%	0.545	70%	0.702	S	S	.	*			trans	59.3	140.1	149.2	68.8	0	0	0	0	122
1963	L	32.6	Very low	34.9	Very low	114 Å²	114	118.2 Å²	118.2	60%	0.597	71%	0.709	S	S	*	*			trans	75.7	137.7	151.9	-75.1	157	0	0	0	119.6	A145	A145-L1963 HydrophobicContact CB-CD2 3.55Å
1964	T	33.2	Very low	34.4	Very low	99 Å²	99	119.9 Å²	119.9	61%	0.607	71%	0.713	S	S	*	*			trans	-76	175.3	166.8	41.4	0	0	0	0	111.6
1965	A	34.8	Very low	34.5	Very low	84 Å²	84	120.9 Å²	120.9	69%	0.694	72%	0.717	S	S	*	*			trans	77	100.8	-179	0	0	0	0	0	117
1966	D	31	Very low	34.3	Very low	150 Å²	150	122.6 Å²	122.6	80%	0.802	72%	0.718	S	S	*	*				69.2	118.2	126.5	-54.3	-8	0	0	0	121.9
1967	D	28.1	Very low	34.1	Very low	145 Å²	145	122.8 Å²	122.8	78%	0.775	72%	0.724	S	S	*	*				82.4	120.9	127.5	-92.2	9	0	0	0	124.1
1968	V	28.2	Very low	34.1	Very low	127 Å²	127	124.8 Å²	124.8	77%	0.77	73%	0.728	S	S	*	*				60	98.5	125.2	-177.2	0	0	0	0	118.1
1969	S	30.7	Very low	34	Very low	121 Å²	121	124.6 Å²	124.6	85%	0.846	73%	0.727	S	S	*	*			trans	-155	145.9	135.3	72.4	0	0	0	0	110.3
1970	A	37.1	Very low	33.8	Very low	85 Å²	85	122.5 Å²	122.5	70%	0.702	72%	0.724	S	S	*	*			cis	-149	155.2	-10.3	0	0	0	0	0	108
1971	V	35.2	Very low	34	Very low	129 Å²	129	121 Å²	121	78%	0.782	72%	0.717	S	S	*	*	S	Bend		169.7	131	88.2	153.7	0	0	0	0	105.4
1972	T	39.1	Very low	33.9	Very low	133 Å²	133	119.5 Å²	119.5	82%	0.816	70%	0.704	S	S	*	*			cis	-160.9	133.3	-4.2	26.4	0	0	0	0	108
1973	G	36.2	Very low	33.8	Very low	85 Å²	85	119.4 Å²	119.4	88%	0.876	70%	0.696	S	S	*	*			trans	-160.8	14.6	-176.8	0	0	0	0	0	118.2
1974	D	34.3	Very low	33.9	Very low	136 Å²	136	117.8 Å²	117.8	73%	0.727	69%	0.688	S	S	*	*			trans	-57	167.8	180	-107.5	-35.6	0	0	0	115.7
1975	P	40.8	Very low	34	Very low	106 Å²	106	118.9 Å²	118.9	69%	0.688	69%	0.69	S	S	*	*			cis	-143	150.6	-11.9	36.8	-17.3	0	0	0	117.7
1976	K	32.5	Very low	33.9	Very low	173 Å²	173	119 Å²	119	75%	0.752	68%	0.682	S	S	*	*			trans	42.6	128.2	130.6	-63.6	178.6	179.6	175.1	0	123.6
1977	T	32	Very low	33.9	Very low	130 Å²	130	118.2 Å²	118.2	80%	0.798	68%	0.677	S	S	*	*			trans	83.2	154.4	133.4	61.6	0	0	0	0	123.5
1978	K	36.4	Very low	34	Very low	163 Å²	163	116.6 Å²	116.6	71%	0.709	68%	0.677	S	S	*	*			trans	85.6	102	167.5	-67.6	-169.2	165.4	-66.5	0	116.4
1979	E	34.6	Very low	34.3	Very low	144 Å²	144	116.2 Å²	116.2	67%	0.673	68%	0.675	S	S	*	*				82	112.1	90.7	-81.5	176.7	136.9	0	0	112.8
1980	T	32.8	Very low	34.2	Very low	104 Å²	104	118 Å²	118	64%	0.638	67%	0.669	S	S	*	*			trans	39.6	115.8	150.8	60.1	0	0	0	0	118.3
1981	L	34.4	Very low	33.9	Very low	113 Å²	113	120.4 Å²	120.4	59%	0.592	68%	0.675	S	S	*	*				-171.9	106.8	110.4	-106.7	166.1	0	0	0	112.6	M1983	L1981-M1983 HydrophobicContact CD2-CB 4.06Å; L1981-M1983 HydrophobicContact CD2-CG 3.88Å; L1981-M1983 HydrophobicContact CD2-SD 3.6Å; L1981-M1983 HydrophobicContact CG-SD 4.39Å
1982	K	33.4	Very low	33.9	Very low	91 Å²	91	118.3 Å²	118.3	40%	0.396	67%	0.666	S	S	.	*	S	Bend		-176.5	59.3	110.5	-91.9	145.4	175.4	169.3	0	109.7	T934 L939 I940 D941	T934-K1982 HydrophobicContact CG2-CB 4.11Å; L939-K1982 HydrophobicContact CD2-CB 3.99Å; L939-K1982 HydrophobicContact CD2-CD 3.43Å; L939-K1982 VanDerWaalsContact CD2-CD 3.43Å; L939-K1982 HydrophobicContact CD2-CG 3.67Å; I940-K1982 HydrophobicContact CD1-CB 4.23Å; I940-K1982 HydrophobicContact CD1-CG 4.34Å; I940-K1982 HydrophobicContact CG1-CB 3.78Å; I940-K1982 HydrophobicContact CG1-CG 4.41Å; I940-K1982 WeakPolarHBondContact CG1-O 3.19Å; D941-K1982 PolarHBondContact N-O 2.67Å
1983	M	33.2	Very low	33.6	Very low	76 Å²	76	119.7 Å²	119.7	37%	0.374	66%	0.664	S	S	.	*				49	115.7	97.4	-81.8	-165.4	67	0	0	119.6	I940 D941 L1981	I940-M1983 WeakPolarHBondContact CD1-O 3.34Å; I940-M1983 WeakPolarHBondContact CG1-O 3.26Å; D941-M1983 PolarHBondContact OD2-N 2.92Å; L1981-M1983 HydrophobicContact CD2-CB 4.06Å; L1981-M1983 HydrophobicContact CD2-CG 3.88Å; L1981-M1983 HydrophobicContact CD2-SD 3.6Å; L1981-M1983 HydrophobicContact CG-SD 4.39Å
1984	D	33.8	Very low	33.2	Very low	79 Å²	79	119.5 Å²	119.5	42%	0.422	65%	0.654	S	S	.	*			trans	66.6	154.3	167.6	-33.6	-42.2	0	0	0	113	I940 D941	I940-D1984 CarbonylContact C-O 3.18Å; I940-D1984 WeakPolarHBondContact CA-O 3.11Å; I940-D1984 WeakPolarHBondContact CB-O 3.31Å; I940-D1984 WeakPolarHBondContact CG2-O 3.32Å; D941-D1984 PolarHBondContact N-O 2.8Å; D941-D1984 CarbonylContact O-C 3.39Å
1985	N	35.3	Very low	32.9	Very low	122 Å²	122	119 Å²	119	65%	0.652	66%	0.659	S	S	*	*			cis	-143.8	124	-15.1	-94.7	132.5	0	0	0	110	D941	D941-N1985 CarbonylContact O-C 3.2Å; D941-N1985 WeakPolarHBondContact O-CA 3.32Å; D941-N1985 PolarHBondContact O-N 2.91Å
1986	V	33.3	Very low	32.5	Very low	87 Å²	87	122.4 Å²	122.4	53%	0.527	66%	0.663	S	S	.	*				60.5	115.9	106.7	167.2	0	0	0	0	117.6	D941 H942	D941-V1986 PolarHBondContact O-N 2.89Å; H942-V1986 WeakPolarHBondContact O-CA 3.19Å; H942-V1986 VanDerWaalsContact O-CG2 3.25Å; H942-V1986 WeakPolarHBondContact O-CG2 3.15Å; H942-V1986 PolarHBondContact O-N 3.24Å
1987	L	30	Very low	32.5	Very low	133 Å²	133	121.8 Å²	121.8	70%	0.696	66%	0.663	S	S	*	*				65.9	121.5	71.7	-77.8	164.7	0	0	0	115.6	F943	F943-L1987 WeakPolarHBondContact O-CD1 3.41Å
1988	S	30.5	Very low	32.5	Very low	111 Å²	111	122.9 Å²	122.9	78%	0.776	66%	0.663	S	S	*	*			trans	163.1	139	153.8	-95.1	0	0	0	0	110.1
1989	V	34.4	Very low	32.3	Very low	120 Å²	120	123.1 Å²	123.1	73%	0.727	67%	0.666	S	S	*	*			trans	63.7	128.9	149	168.4	0	0	0	0	116.7
1990	E	28.3	Very low	32.3	Very low	157 Å²	157	120.4 Å²	120.4	73%	0.734	66%	0.663	S	S	*	*			cis	-168.8	162.5	-2.8	-121.4	159.5	-145.6	0	0	108.9
1991	V	31.9	Very low	32.5	Very low	136 Å²	136	122.2 Å²	122.2	82%	0.824	67%	0.668	S	S	*	*			trans	65.7	167.6	158	175.1	0	0	0	0	117
1992	S	34.8	Very low	32.3	Very low	85 Å²	85	124.9 Å²	124.9	59%	0.594	68%	0.677	S	S	*	*			trans	-57.1	177.2	175.6	-170.1	0	0	0	0	115.2
1993	E	31.7	Very low	32.1	Very low	163 Å²	163	128.1 Å²	128.1	76%	0.762	70%	0.698	S	S	*	*			trans	68.5	96.6	158	-77.3	136.4	-106.9	0	0	119.9
1994	A	28.3	Very low	32.1	Very low	80 Å²	80	132 Å²	132	66%	0.661	71%	0.712	S	S	*	*				70.4	152.6	108.3	0	0	0	0	0	121.8
1995	C	27.9	Very low	32.1	Very low	126 Å²	126	135 Å²	135	85%	0.851	72%	0.724	S	S	*	*			trans	51.6	102.7	150.6	-67.6	0	0	0	0	119.7
1996	K	32.2	Very low	31.9	Very low	177 Å²	177	134.1 Å²	134.1	77%	0.77	73%	0.728	S	S	*	*			trans	-133.2	134.7	149.2	-69.8	-171.5	175.5	75	0	108.9
1997	Q	33.1	Very low	31.9	Very low	161 Å²	161	138.5 Å²	138.5	75%	0.752	74%	0.74	S	S	*	*			cis	-162.2	179.8	6.1	-126.9	163.3	5.8	0	0	111.7
1998	I	32.3	Very low	31.9	Very low	153 Å²	153	138.2 Å²	138.2	79%	0.785	74%	0.737	S	S	*	*	S	Bend	trans	81.6	120.8	-176.9	-52.5	169.1	0	0	0	112
1999	E	33.2	Very low	31.9	Very low	168 Å²	168	138.4 Å²	138.4	79%	0.785	73%	0.734	S	S	*	*			cis	-145.7	118.4	-11.2	-113	171.2	172.4	0	0	105.8
2000	S	33.3	Very low	31.9	Very low	87 Å²	87	142.2 Å²	142.2	61%	0.608	74%	0.744	S	S	*	*				67.4	131.7	95.3	88.8	0	0	0	0	116.2
2001	I	36.3	Very low	32.3	Very low	142 Å²	142	140.6 Å²	140.6	73%	0.728	75%	0.745	S	S	*	*			trans	75.3	106.2	149.9	-61.4	163.2	0	0	0	116.7
2002	E	30.2	Very low	32.5	Very low	169 Å²	169	138.9 Å²	138.9	79%	0.79	74%	0.739	S	S	*	*			trans	58.6	119.7	140.9	-60.9	178.4	144.3	0	0	120.6
2003	L	30.4	Very low	32.6	Very low	158 Å²	158	138.8 Å²	138.8	83%	0.827	74%	0.738	S	S	*	*			trans	79.7	122.7	149	-58.8	159.6	0	0	0	119.6
2004	K	33.9	Very low	32.9	Very low	157 Å²	157	138.2 Å²	138.2	68%	0.683	74%	0.741	S	S	*	*			trans	79.3	122.7	145.3	-75.6	176.5	151.1	-70.2	0	121.1
2005	E	32.4	Very low	33.2	Very low	142 Å²	142	141.4 Å²	141.4	66%	0.664	75%	0.745	S	S	*	*				62	114.9	129.4	-62.9	163.2	151.4	0	0	120.5
2006	S	32.1	Very low	33.6	Very low	105 Å²	105	141.3 Å²	141.3	73%	0.734	74%	0.737	S	S	*	*				89.5	131.2	129.2	75.6	0	0	0	0	122.3
2007	F	32.4	Very low	33.6	Very low	179 Å²	179	143.3 Å²	143.3	79%	0.785	74%	0.741	S	S	*	*				88.6	112.6	128.8	-92.8	-133.3	0	0	0	122.4
2008	I	31.5	Very low	33.6	Very low	126 Å²	126	144.4 Å²	144.4	65%	0.646	75%	0.746	S	S	*	*				83.9	115.4	122.2	-75.9	-168	0	0	0	121.3
2009	V	29.5	Very low	33.6	Very low	116 Å²	116	145.6 Å²	145.6	70%	0.703	75%	0.751	S	S	*	*			trans	54.3	132.4	132.3	-176.2	0	0	0	0	120.6
2010	E	34.8	Very low	33.6	Very low	199 Å²	199	145.6 Å²	145.6	93%	0.93	75%	0.754	S	S	*	*			trans	-110.2	158	154.1	-62.6	-154.2	139.3	0	0	112.4
2011	T	36.9	Very low	33.8	Very low	123 Å²	123	146.4 Å²	146.4	76%	0.755	76%	0.76	S	S	*	*			trans	-121.1	151.9	-169	53.6	0	0	0	0	111.2
2012	S	35.1	Very low	33.7	Very low	100 Å²	100	146.7 Å²	146.7	70%	0.699	76%	0.761	S	S	*	*			cis	-176	169	-10.4	54.5	0	0	0	0	109.7
2013	S	37.1	Very low	34	Very low	84 Å²	84	144 Å²	144	59%	0.587	76%	0.756	S	S	*	*			trans	69.7	103	143.8	55.9	0	0	0	0	122.1
2014	D	37.7	Very low	34.2	Very low	151 Å²	151	144 Å²	144	81%	0.807	75%	0.752	S	S	*	*				111.6	131.9	104.4	-68.5	-3.8	0	0	0	122.1
2015	L	35.7	Very low	34.3	Very low	146 Å²	146	146.3 Å²	146.3	76%	0.764	76%	0.756	S	S	*	*			trans	94.9	83.7	149.8	-67.6	158	0	0	0	122.8
2016	D	35	Very low	34.6	Very low	125 Å²	125	145.8 Å²	145.8	67%	0.668	75%	0.754	S	S	*	*				64	118.3	102	-65.2	7.7	0	0	0	124.7
2017	Y	32.4	Very low	34.9	Very low	218 Å²	218	148.5 Å²	148.5	86%	0.855	75%	0.753	S	S	*	*			trans	60.9	154	149.4	-70.2	-104	0	0	0	118.4
2018	E	33.3	Very low	35	Very low	185 Å²	185	144.8 Å²	144.8	86%	0.864	75%	0.749	S	S	*	*			cis	-148.8	165.4	24	-164.5	166.2	-141.7	0	0	111.8
2019	M	33.1	Very low	35.7	Very low	178 Å²	178	144.1 Å²	144.1	88%	0.877	75%	0.753	S	S	*	*			trans	-89.4	140.4	-173.6	-64.5	-177.1	-69.7	0	0	114.8
2020	I	33.3	Very low	35.9	Very low	168 Å²	168	146.6 Å²	146.6	86%	0.862	75%	0.754	S	S	*	*			trans	-142.2	120.4	151.1	-60.7	-175.9	0	0	0	110.2
2021	S	37.6	Very low	35.9	Very low	104 Å²	104	141.4 Å²	141.4	73%	0.727	75%	0.745	S	S	*	*			trans	-98.7	153.5	146.6	59.3	0	0	0	0	107.1
2022	I	33.2	Very low	36.1	Very low	148 Å²	148	140.7 Å²	140.7	76%	0.759	74%	0.743	S	S	*	*			cis	-137.3	178.5	28.3	-71.1	172.1	0	0	0	109.9
2023	T	36.2	Very low	36.1	Very low	111 Å²	111	143 Å²	143	68%	0.681	75%	0.746	S	S	*	*			trans	-52.3	174.6	174.8	63.6	0	0	0	0	114.8
2024	E	36.1	Very low	36.1	Very low	159 Å²	159	143.9 Å²	143.9	74%	0.743	75%	0.752	S	S	*	*			cis	-171.8	-156.4	26	-149	171.6	-105.1	0	0	112.5
2025	R	36.1	Very low	36.1	Very low	205 Å²	205	144 Å²	144	77%	0.774	75%	0.748	S	S	*	*			trans	82.9	148.4	166.2	-81.7	-176.6	167.7	81.2	1.9	116.7
2026	E	36.8	Very low	36.2	Very low	132 Å²	132	145 Å²	145	62%	0.617	75%	0.746	S	S	*	*			cis	-160.2	138	21.9	-148.5	177.8	-127.8	0	0	116.1
2027	K	38.5	Very low	36.2	Very low	161 Å²	161	144.8 Å²	144.8	70%	0.7	75%	0.749	S	S	*	*			trans	131.2	118.9	136	-70.9	174.1	-169.1	66.4	0	113.3
2028	S	35.9	Very low	36.1	Very low	101 Å²	101	143.1 Å²	143.1	71%	0.706	75%	0.749	S	S	*	*			cis	91.5	157.4	38.2	80.8	0	0	0	0	114.6
2029	P	46	Very low	36.1	Very low	113 Å²	113	142.6 Å²	142.6	73%	0.734	75%	0.747	S	S	*	*			cis	-142.8	161.6	-35.6	34.4	-16.3	0	0	0	116.5
2030	K	33.9	Very low	36.6	Very low	167 Å²	167	144 Å²	144	73%	0.726	77%	0.765	S	S	*	*			trans	-163.4	166.4	147.4	-107.3	162.9	-172.8	174.4	0	110.9	D909	D909-K2030 IonicContact OD1-NZ 3.9Å; D909-K2030 PolarHBondContact OD1-NZ 2.81Å
2031	A	34.1	Very low	36.8	Very low	90 Å²	90	142.9 Å²	142.9	74%	0.744	76%	0.76	S	S	*	*			trans	-162.2	-173.1	-167.6	0	0	0	0	0	109.8
2032	P	40.9	Very low	36.8	Very low	109 Å²	109	144.9 Å²	144.9	71%	0.708	76%	0.762	S	S	*	*			cis	-138.6	-169.1	-2.5	30	-4.7	0	0	0	115.3
2033	I	35.4	Very low	37	Very low	147 Å²	147	144.7 Å²	144.7	75%	0.754	76%	0.762	S	S	*	*			trans	135.4	126.4	138.6	-69.9	158	0	0	0	115.8
2034	S	36.2	Very low	37	Very low	103 Å²	103	146.7 Å²	146.7	72%	0.72	77%	0.767	S	S	*	*			trans	51.9	152	160.1	64.7	0	0	0	0	121.7
2035	E	38.3	Very low	37.1	Very low	154 Å²	154	145.9 Å²	145.9	72%	0.72	77%	0.769	S	S	*	*			cis	-139.9	-161.5	0.4	-137.3	-174	152.4	0	0	114.1
2036	K	38	Very low	37.1	Very low	167 Å²	167	142 Å²	142	73%	0.726	77%	0.768	S	S	*	*			trans	-93.9	160.4	-163.5	-28.1	107	172.3	170.1	0	114.3
2037	T	35.1	Very low	37.1	Very low	120 Å²	120	142.7 Å²	142.7	74%	0.736	78%	0.779	S	S	*	*				-161.2	135.8	109.3	27.3	0	0	0	0	110.6
2038	E	31	Very low	37	Very low	183 Å²	183	141.3 Å²	141.3	86%	0.855	79%	0.785	S	S	*	*			trans	48.4	149.1	154.4	-70.1	148.3	165.2	0	0	120.2
2039	E	32.8	Very low	37.1	Very low	175 Å²	175	144.7 Å²	144.7	82%	0.818	79%	0.792	S	S	*	*			cis	-147.8	164.9	14.8	-157.1	176.7	-151.6	0	0	111
2040	V	44	Very low	36.3	Very low	208 Å²	208	147.5 Å²	147.5	100%	1.261	80%	0.797	S	S	*	*			trans	74.1	0	174.1	-168.1	0	0	0	0	118.1

Retrieved 2,040 of 2,040 residues in 807.3 ms (Link to these results)

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