A0A3Q0KQC7_SCHMA Loading...

Putative zinc finger protein

AlphaFold DB , UniProt , Accession A0A3Q0KQC7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 818 aa.

						>A0A3Q0KQC7_SCHMA|A0A3Q0KQC7
MTVDFLSCGTCFVTFRLSDINMFIEHKKASCCFLRSPFTSSNSENNKYSSLLSSSTSPSLETPSTSSFSSSPSPLMTLSCSNVMDNISNNIGNNNNTLLQSQNSNTIFLKCVQCSREFTTPWTFLMHVQVEHQLIFINTIEKFSKTHEQQLKNTLSSNVEELLNETNVNNNDFSVDFDDDDDEQEEEEDDDDQCENGVLHTIDKLLSEKVNNFDSDTTITITNNDNKSISPINNNNNNTNSTTDTPTITNNIAHTDSSSSSSSSSSSSSSNTTTTTSIRINSNSHNASTQTYLTGIKQHSIPHRKRKYVSCCIGESTVTCNKLNNITTCSNVKNCNLTLSSCCNNLSTGICPYNLNSNNNSSNISNSSNNNNNDNHGNGSSMNSDMYVSDYCCTTGSIICKPKTCSNLLNTNEIITQDASRCTASTAIVSCCMRKLVCCTSTPVTLPICCDRSMQNETNNNNHNFIIQETKTTNTARITCCPCSPKRSIISQSSEVQTDFDPEFSYSDYADLAMLLNAATPTTITSPLNSILSPQLPLLSDMIIQRSSSSSPPTSPPPQQKNNDNDEYCQNTELHNSNSKINDNYLSSQINHINNNNTNTNIHNDQPIILNSFSLSSSTITKANVDVGVTMKSMPVSSGSIVITSNVNNNNNNNDKVITSTANVILQMPTIMHTNLIACPNNNNSNNNNNVNKYYCDSIPPRRYICRDCGTSFRQNVHLRKHIMIQHTKMKPFSCPYCEYTTVEKSHLTVHIRTHTGERPFSCRECNYSSAQNCTLKSHYLRKHPTNLIKCNFCSELFFTELELTKHLRGCSLSFLQQ
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	26.6	Very low	38.4	Very low	196 Å²	196	85.2 Å²	85.2	97%	0.966	50%	0.504	S	S	*	.				0	154.4	0	-62.4	176.7	-171.9	0	0	107.2	V3	M1-V3 PolarHBondContact O-N 3.26Å
2	T	28	Very low	38.8	Very low	116 Å²	116	86.6 Å²	86.6	71%	0.712	50%	0.499	S	S	*	.			trans	-67.6	121.9	165.6	45.3	0	0	0	0	106.7	D4	T2-D4 VanDerWaalsContact C-N 3.26Å; T2-D4 WeakPolarHBondContact CB-OD1 3.35Å; T2-D4 PolarHBondContact O-N 3.15Å; T2-D4 PolarHBondContact OG1-OD1 3.1Å
3	V	31	Very low	39	Very low	88 Å²	88	84.3 Å²	84.3	53%	0.533	49%	0.487	S	S	.	.			trans	-73.3	94.4	169.9	-179.1	0	0	0	0	105	M1 F5	M1-V3 PolarHBondContact O-N 3.26Å; V3-F5 VanDerWaalsContact C-N 3.29Å; V3-F5 WeakPolarHBondContact O-CD2 3.32Å; V3-F5 PolarHBondContact O-N 3.33Å
4	D	33.9	Very low	38.9	Very low	103 Å²	103	84 Å²	84	55%	0.551	49%	0.487	S	S	*	.			trans	-70.1	92	179.5	-72.1	-3.4	0	0	0	107.4	T2 L6 F124	T2-D4 VanDerWaalsContact C-N 3.26Å; T2-D4 WeakPolarHBondContact CB-OD1 3.35Å; T2-D4 PolarHBondContact O-N 3.15Å; T2-D4 PolarHBondContact OG1-OD1 3.1Å; D4-L6 PolarHBondContact O-N 3.2Å; D4-F124 HydrophobicContact CB-CE2 4.37Å; D4-F124 HydrophobicContact CB-CZ 4.2Å; D4-F124 WeakPolarHBondContact O-CZ 3.46Å
5	F	37.7	Very low	38.7	Very low	126 Å²	126	81.7 Å²	81.7	55%	0.553	47%	0.469	S	S	*	.			trans	-58	128.3	179.1	-69.1	-88.8	0	0	0	110.1	V3 S7 T14	V3-F5 VanDerWaalsContact C-N 3.29Å; V3-F5 WeakPolarHBondContact O-CD2 3.32Å; V3-F5 PolarHBondContact O-N 3.33Å; F5-S7 VanDerWaalsContact C-N 3.27Å; F5-S7 PolarHBondContact O-N 3.31Å; F5-T14 HydrophobicContact CB-CG2 3.95Å; F5-T14 HydrophobicContact CD1-CG2 3.92Å; F5-T14 HydrophobicContact CG-CG2 3.99Å
6	L	44.9	Very low	38.3	Very low	33 Å²	33	87.7 Å²	87.7	17%	0.173	48%	0.482	C	S	.	.			trans	-62.2	98.9	156.2	-86	85.2	0	0	0	107.4	D4 F15 L109 F118 T120 F124	D4-L6 PolarHBondContact O-N 3.2Å; L6-F15 HydrophobicContact CB-CD2 4.18Å; L6-F15 PolarHBondContact O-N 2.98Å; L6-L109 HydrophobicContact CD2-CD1 3.86Å; L6-F118 HydrophobicContact CD2-CE2 3.79Å; L6-F118 HydrophobicContact CD2-CZ 4.07Å; L6-T120 HydrophobicContact CD2-CG2 4.22Å; L6-F124 HydrophobicContact CD1-CD1 3.82Å; L6-F124 HydrophobicContact CD1-CE1 3.21Å; L6-F124 HydrophobicContact CD1-CZ 3.84Å; L6-F124 HydrophobicContact CG-CE1 4.45Å
7	S	45.8	Very low	38.2	Very low	67 Å²	67	86.2 Å²	86.2	47%	0.469	47%	0.473	S	S	.	.	B	Isolated β-bridge	trans	-94	127.2	164.7	59.8	0	0	0	0	108.7	F5 G9 V13	F5-S7 VanDerWaalsContact C-N 3.27Å; F5-S7 PolarHBondContact O-N 3.31Å; S7-G9 PolarHBondContact O-N 3.48Å; S7-V13 WeakPolarHBondContact CA-O 3.4Å
8	C	41.3	Very low	38.1	Very low	8 Å²	8	86.2 Å²	86.2	5%	0.054	48%	0.48	C	S	.	.			trans	-58	103	159.7	166.3	0	0	0	0	108.2	T10 C11 F12 V13	C8-T10 PolarHBondContact O-N 3.33Å; C8-C11 HydrophobicContact CB-CB 4.22Å; C8-C11 WeakPolarHBondContact CB-SG 3.29Å; C8-C11 PolarHBondContact O-N 3.49Å; C8-C11 WeakPolarHBondContact SG-CB 3.36Å; C8-C11 PolarHBondContact SG-N 2.9Å; C8-C11 CovalentContact SG-SG 2.04Å; C8-C11 PolarHBondContact SG-SG 2.93Å; C8-F12 PolarHBondContact O-N 2.93Å; C8-V13 PolarHBondContact N-O 3.36Å
9	G	42.3	Very low	38.2	Very low	66 Å²	66	87.2 Å²	87.2	68%	0.68	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-1	-173.4	0	0	0	0	0	116	S7	S7-G9 PolarHBondContact O-N 3.48Å
10	T	45.4	Very low	37.9	Very low	90 Å²	90	86.3 Å²	86.3	55%	0.552	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.9	-1.4	172.5	54.7	0	0	0	0	114.6	C8 R116	C8-T10 PolarHBondContact O-N 3.33Å; T10-R116 PolarHBondContact OG1-NH1 3.24Å
11	C	45.8	Very low	37.4	Very low	44 Å²	44	89.8 Å²	89.8	30%	0.297	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.3	0.7	178.4	63.8	0	0	0	0	114.9	C8 V13 C111	C8-C11 HydrophobicContact CB-CB 4.22Å; C8-C11 WeakPolarHBondContact CB-SG 3.29Å; C8-C11 PolarHBondContact O-N 3.49Å; C8-C11 WeakPolarHBondContact SG-CB 3.36Å; C8-C11 PolarHBondContact SG-N 2.9Å; C8-C11 CovalentContact SG-SG 2.04Å; C8-C11 PolarHBondContact SG-SG 2.93Å; C11-V13 HydrophobicContact CB-CG2 4.38Å; C11-V13 PolarHBondContact O-N 3.41Å; C11-C111 VanDerWaalsContact SG-SG 3.68Å
12	F	43.6	Very low	37.6	Very low	102 Å²	102	86.5 Å²	86.5	45%	0.447	48%	0.479	S	S	.	.			trans	53.9	4.8	177	-75.6	-87.4	0	0	0	116.5	C8 T14 C483	C8-F12 PolarHBondContact O-N 2.93Å; F12-T14 PolarHBondContact O-N 3.11Å; F12-C483 WeakPolarHBondContact CZ-SG 3.5Å
13	V	40.7	Very low	37.4	Very low	57 Å²	57	89 Å²	89	35%	0.345	48%	0.481	S	S	.	.			trans	-59.7	111.9	172.4	-177.8	0	0	0	0	108.4	S7 C8 C11	S7-V13 WeakPolarHBondContact CA-O 3.4Å; C8-V13 PolarHBondContact N-O 3.36Å; C11-V13 HydrophobicContact CB-CG2 4.38Å; C11-V13 PolarHBondContact O-N 3.41Å
14	T	38	Very low	37.2	Very low	80 Å²	80	91 Å²	91	49%	0.491	49%	0.487	S	S	.	.	B	Isolated β-bridge	trans	-82.2	115.2	167.1	42.8	0	0	0	0	108.1	F5 F12 R16	F5-T14 HydrophobicContact CB-CG2 3.95Å; F5-T14 HydrophobicContact CD1-CG2 3.92Å; F5-T14 HydrophobicContact CG-CG2 3.99Å; F12-T14 PolarHBondContact O-N 3.11Å; T14-R16 PolarHBondContact O-N 3.25Å
15	F	35.3	Very low	36.8	Very low	49 Å²	49	93.8 Å²	93.8	22%	0.215	50%	0.497	C	S	.	.			trans	-69.5	125.6	168.3	-69	-87.1	0	0	0	108.7	L6	L6-F15 HydrophobicContact CB-CD2 4.18Å; L6-F15 PolarHBondContact O-N 2.98Å
16	R	33	Very low	36.3	Very low	178 Å²	178	96.7 Å²	96.7	67%	0.672	51%	0.512	S	S	*	.			trans	-72.1	138.8	155.7	-72.8	-176	164.9	-171.8	-2.9	107.4	T14 S18 D19	T14-R16 PolarHBondContact O-N 3.25Å; R16-S18 VanDerWaalsContact CB-OG 3.23Å; R16-S18 WeakPolarHBondContact CB-OG 3.37Å; R16-S18 PolarHBondContact O-N 3.46Å; R16-D19 WeakPolarHBondContact O-CB 3.39Å; R16-D19 PolarHBondContact O-N 3.37Å
17	L	36.6	Very low	35.3	Very low	63 Å²	63	104.3 Å²	104.3	33%	0.33	54%	0.543	S	S	.	.	G	3₁₀ helix	trans	-62.2	-23.4	175.8	-76.9	156.8	0	0	0	112.5	D19 I20 V128	L17-D19 PolarHBondContact O-N 3.12Å; L17-I20 HydrophobicContact CD2-CD1 4.26Å; L17-I20 PolarHBondContact O-N 3.49Å; L17-V128 HydrophobicContact CD1-CG2 4.44Å; L17-V128 HydrophobicContact CD2-CB 4.26Å; L17-V128 HydrophobicContact CD2-CG1 3.65Å; L17-V128 HydrophobicContact CD2-CG2 3.54Å
18	S	36.5	Very low	34.5	Very low	86 Å²	86	110.3 Å²	110.3	60%	0.601	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-60.5	-21.5	170.2	53	0	0	0	0	114.6	R16	R16-S18 VanDerWaalsContact CB-OG 3.23Å; R16-S18 WeakPolarHBondContact CB-OG 3.37Å; R16-S18 PolarHBondContact O-N 3.46Å
19	D	38.8	Very low	33.9	Very low	105 Å²	105	114 Å²	114	56%	0.561	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-99.6	-3.7	-169.5	-48.9	-10	0	0	0	111.3	R16 L17 N21	R16-D19 WeakPolarHBondContact O-CB 3.39Å; R16-D19 PolarHBondContact O-N 3.37Å; L17-D19 PolarHBondContact O-N 3.12Å; D19-N21 PolarHBondContact O-N 3.02Å
20	I	33.6	Very low	33.2	Very low	68 Å²	68	116.1 Å²	116.1	35%	0.349	60%	0.597	S	S	.	*			trans	-89.7	81.1	175.8	-53.2	-177.2	0	0	0	108.8	L17 M22	L17-I20 HydrophobicContact CD2-CD1 4.26Å; L17-I20 PolarHBondContact O-N 3.49Å; I20-M22 VanDerWaalsContact C-N 3.33Å; I20-M22 PolarHBondContact O-N 3.41Å
21	N	27.3	Very low	32.4	Very low	160 Å²	160	117.9 Å²	117.9	86%	0.856	61%	0.611	S	S	*	*			trans	-66.5	88.5	168.3	-89.4	-21.4	0	0	0	110.4	D19	D19-N21 PolarHBondContact O-N 3.02Å
22	M	29.7	Very low	31.5	Very low	127 Å²	127	121 Å²	121	63%	0.626	63%	0.632	S	S	*	*			trans	-96.4	106.5	164.8	-114.3	-174.7	68.5	0	0	109.9	I20 I24	I20-M22 VanDerWaalsContact C-N 3.33Å; I20-M22 PolarHBondContact O-N 3.41Å; M22-I24 PolarHBondContact O-N 2.95Å
23	F	24.2	Very low	30.8	Very low	168 Å²	168	124.9 Å²	124.9	74%	0.737	65%	0.65	S	S	*	*			trans	-60.8	123.7	175.1	-119.6	-106	0	0	0	110.9	E25	F23-E25 HydrophobicContact CD1-CB 4.24Å; F23-E25 HydrophobicContact CD1-CG 4.21Å; F23-E25 HydrophobicContact CE1-CB 4.36Å; F23-E25 HydrophobicContact CE1-CG 3.93Å
24	I	27.5	Very low	30.2	Very low	130 Å²	130	128.7 Å²	128.7	67%	0.667	67%	0.667	S	S	*	*			trans	-131.4	90.5	157.6	-57.5	-179	0	0	0	106.5	M22	M22-I24 PolarHBondContact O-N 2.95Å
25	E	25.5	Very low	29.7	Very low	163 Å²	163	135.6 Å²	135.6	76%	0.762	68%	0.684	S	S	*	*			trans	-90.2	138.1	174.2	-109.1	-169.8	162.5	0	0	111.3	F23	F23-E25 HydrophobicContact CD1-CB 4.24Å; F23-E25 HydrophobicContact CD1-CG 4.21Å; F23-E25 HydrophobicContact CE1-CB 4.36Å; F23-E25 HydrophobicContact CE1-CG 3.93Å
26	H	26	Very low	29.4	Very low	187 Å²	187	138.1 Å²	138.1	87%	0.866	71%	0.708	S	S	*	*			trans	-72.8	144.4	-178.6	-90.8	-107.1	0	0	0	113.7
27	K	25.2	Very low	29.5	Very low	192 Å²	192	134.6 Å²	134.6	84%	0.835	71%	0.708	S	S	*	*			trans	-156.3	128.3	159.3	-110.4	169	-175.9	170.2	0	105.7
28	K	28.6	Very low	29.1	Very low	193 Å²	193	140.2 Å²	140.2	84%	0.839	73%	0.73	S	S	*	*			cis	-158	157.4	38	-68.9	171.6	173	168.3	0	113.6
29	A	28.2	Very low	28.6	Very low	87 Å²	87	142.1 Å²	142.1	72%	0.719	74%	0.738	S	S	*	*			trans	78.5	131.9	137.3	0	0	0	0	0	123.7
30	S	28.1	Very low	28.1	Very low	109 Å²	109	141.7 Å²	141.7	76%	0.762	74%	0.743	S	S	*	*			trans	61.2	123.8	139.6	58.6	0	0	0	0	119.6
31	C	28.4	Very low	28	Very low	128 Å²	128	143.3 Å²	143.3	87%	0.865	76%	0.761	S	S	*	*				-162	167.4	54.3	-108.7	0	0	0	0	113.8
32	C	26.4	Very low	28.2	Very low	109 Å²	109	142.9 Å²	142.9	74%	0.736	76%	0.758	S	S	*	*			trans	-88.3	161.8	-178.7	-55.5	0	0	0	0	113.1
33	F	29.2	Very low	28.1	Very low	184 Å²	184	141.3 Å²	141.3	81%	0.807	76%	0.76	S	S	*	*				164.8	126.2	116.4	-104.3	-100.3	0	0	0	114
34	L	28.7	Very low	28.6	Very low	136 Å²	136	140.8 Å²	140.8	71%	0.712	76%	0.76	S	S	*	*			trans	34.8	148.2	139.4	-54.7	-174.4	0	0	0	121.6
35	R	27.8	Very low	28.9	Very low	225 Å²	225	140.4 Å²	140.4	85%	0.849	76%	0.759	S	S	*	*			cis	-163.5	160.7	11.7	-149.9	163.8	172.9	164.2	-6.2	111.2
36	S	28.7	Very low	29.3	Very low	102 Å²	102	137.9 Å²	137.9	71%	0.713	75%	0.751	S	S	*	*			trans	-79.5	179.8	169.5	57.7	0	0	0	0	113.2
37	P	34.6	Very low	29.7	Very low	104 Å²	104	136.2 Å²	136.2	68%	0.675	74%	0.741	S	S	*	*				-162	174.5	91.9	45.1	-25.6	0	0	0	120.7
38	F	27.9	Very low	30.1	Very low	182 Å²	182	136 Å²	136	80%	0.798	74%	0.736	S	S	*	*			trans	79.5	114.8	147.4	-78.9	-60.7	0	0	0	125.1
39	T	26.7	Very low	30.3	Very low	126 Å²	126	131.6 Å²	131.6	77%	0.773	73%	0.73	S	S	*	*			trans	58.6	148.8	140.6	42.4	0	0	0	0	121.3
40	S	28.8	Very low	30.5	Very low	95 Å²	95	131.6 Å²	131.6	66%	0.664	73%	0.725	S	S	*	*			cis	-168	157.6	1.4	40.9	0	0	0	0	111
41	S	30.5	Very low	30.7	Very low	103 Å²	103	133.8 Å²	133.8	72%	0.72	73%	0.727	S	S	*	*			trans	60.1	150.4	163.2	54.6	0	0	0	0	117.7
42	N	30.9	Very low	30.9	Very low	150 Å²	150	134.4 Å²	134.4	80%	0.802	72%	0.721	S	S	*	*			cis	-150.5	172	2	-118.4	-8.1	0	0	0	110.7
43	S	28.8	Very low	31.2	Very low	94 Å²	94	133.5 Å²	133.5	66%	0.657	72%	0.716	S	S	*	*			trans	-24.4	149.7	162.7	58.1	0	0	0	0	117.7
44	E	34	Very low	31.5	Very low	158 Å²	158	130 Å²	130	74%	0.738	71%	0.714	S	S	*	*				-164.9	150.4	56.5	-81.5	-166.8	152.3	0	0	114.6
45	N	33.4	Very low	31.8	Very low	122 Å²	122	128 Å²	128	65%	0.652	71%	0.712	S	S	*	*			trans	48.3	142.9	133.4	-57.9	-32.6	0	0	0	121.7
46	N	34.2	Very low	32	Very low	110 Å²	110	123.8 Å²	123.8	59%	0.588	71%	0.711	S	S	*	*			cis	-169.8	142.9	10.5	-117.1	-33.8	0	0	0	111.1
47	K	35.2	Very low	32.1	Very low	152 Å²	152	124.2 Å²	124.2	66%	0.661	72%	0.715	S	S	*	*			trans	49.6	152.7	136.2	-63.7	166.6	-178.6	174	0	121.4
48	Y	33.1	Very low	32.4	Very low	186 Å²	186	124.7 Å²	124.7	73%	0.729	72%	0.718	S	S	*	*			cis	-150.8	140.9	16.4	-105.3	-69.1	0	0	0	111.6
49	S	33.3	Very low	32.7	Very low	102 Å²	102	120.6 Å²	120.6	71%	0.713	71%	0.712	S	S	*	*				37.9	157.5	129.9	-69.2	0	0	0	0	124.9
50	S	32.2	Very low	33.2	Very low	87 Å²	87	121.3 Å²	121.3	61%	0.608	71%	0.71	S	S	*	*			cis	148.1	156.8	-23.1	57.1	0	0	0	0	110.3
51	L	32.1	Very low	33.5	Very low	155 Å²	155	124 Å²	124	81%	0.812	71%	0.712	S	S	*	*			trans	82.1	145.9	169.4	-40.7	-176.4	0	0	0	116.3
52	L	32.9	Very low	33.7	Very low	141 Å²	141	125.4 Å²	125.4	74%	0.738	72%	0.716	S	S	*	*			cis	-158.5	137.1	-6.9	-143.4	76.8	0	0	0	113.5
53	S	32.6	Very low	33.9	Very low	90 Å²	90	123.9 Å²	123.9	63%	0.629	72%	0.715	S	S	*	*			trans	50.4	138.2	136.7	65.3	0	0	0	0	127.7
54	S	34.2	Very low	34	Very low	109 Å²	109	124.4 Å²	124.4	76%	0.762	72%	0.718	S	S	*	*			trans	68.5	146.3	137.1	50.7	0	0	0	0	121.9
55	S	35	Very low	33.9	Very low	96 Å²	96	123.2 Å²	123.2	67%	0.671	72%	0.722	S	S	*	*			cis	-170.3	171.8	-5.5	49.7	0	0	0	0	114
56	T	33.6	Very low	33.9	Very low	135 Å²	135	122.8 Å²	122.8	83%	0.828	73%	0.728	S	S	*	*			trans	83	148.7	148.7	34.1	0	0	0	0	122.7
57	S	30.3	Very low	33.8	Very low	112 Å²	112	122.3 Å²	122.3	78%	0.783	73%	0.734	S	S	*	*			trans	-140	-146.8	-158.8	-31.2	0	0	0	0	111
58	P	41.5	Very low	33.7	Very low	114 Å²	114	124.4 Å²	124.4	74%	0.74	74%	0.743	S	S	*	*				-123.1	-166	-79.7	38.3	-20.1	0	0	0	113.1
59	S	34.4	Very low	33.6	Very low	96 Å²	96	120.4 Å²	120.4	67%	0.671	74%	0.743	S	S	*	*			trans	146.5	136.4	132.7	-69	0	0	0	0	119.4
60	L	35.3	Very low	33.5	Very low	141 Å²	141	120.7 Å²	120.7	74%	0.738	74%	0.744	S	S	*	*			trans	63.6	152.8	143.5	-82.7	58.6	0	0	0	119.9
61	E	35.5	Very low	33.4	Very low	152 Å²	152	122.3 Å²	122.3	71%	0.71	76%	0.756	S	S	*	*			cis	-164.2	139.7	2	-131.7	161.5	-158.1	0	0	115.7
62	T	34.5	Very low	33.3	Very low	131 Å²	131	121 Å²	121	80%	0.804	76%	0.756	S	S	*	*			trans	65.8	158.1	145	50.7	0	0	0	0	127.4
63	P	35.1	Very low	32.9	Very low	119 Å²	119	119.9 Å²	119.9	77%	0.773	76%	0.761	S	S	*	*			trans	-134.2	169.4	-163.2	43.8	-26.7	0	0	0	118.8
64	S	31.4	Very low	32.9	Very low	105 Å²	105	121.3 Å²	121.3	73%	0.734	77%	0.768	S	S	*	*			trans	-174.9	134	147	57.1	0	0	0	0	118.1
65	T	31.5	Very low	32.5	Very low	132 Å²	132	123.4 Å²	123.4	81%	0.81	77%	0.77	S	S	*	*			trans	69.8	130.8	145	54.1	0	0	0	0	125.7
66	S	33.3	Very low	32.2	Very low	113 Å²	113	126.6 Å²	126.6	79%	0.79	78%	0.776	S	S	*	*			trans	110.1	105.8	141.1	73	0	0	0	0	122.4
67	S	33.4	Very low	31.6	Very low	101 Å²	101	126 Å²	126	71%	0.706	77%	0.772	S	S	*	*			trans	66.9	112.9	139.8	50.3	0	0	0	0	125.1
68	F	32.2	Very low	31.4	Very low	196 Å²	196	128.9 Å²	128.9	86%	0.86	78%	0.778	S	S	*	*			trans	44.5	108.4	132.8	-69.4	-84.9	0	0	0	119.8
69	S	32.5	Very low	30.6	Very low	102 Å²	102	128.4 Å²	128.4	71%	0.713	78%	0.777	S	S	*	*				116.5	146.4	77	64.9	0	0	0	0	109.8
70	S	30.9	Very low	30.3	Very low	107 Å²	107	129.3 Å²	129.3	75%	0.748	78%	0.783	S	S	*	*			cis	-168.6	123.9	-12.7	47.3	0	0	0	0	110.2
71	S	29.3	Very low	29.9	Very low	122 Å²	122	127.7 Å²	127.7	85%	0.853	78%	0.783	S	S	*	*			trans	170.4	135.4	145.7	39.3	0	0	0	0	110.1
72	P	29.4	Very low	29.7	Very low	126 Å²	126	127.2 Å²	127.2	82%	0.818	79%	0.785	S	S	*	*			trans	-101.2	151.9	-168.8	37.4	-34.1	0	0	0	114.6
73	S	26	Very low	29.4	Very low	119 Å²	119	126.4 Å²	126.4	83%	0.832	78%	0.78	S	S	*	*			trans	-164.3	170.3	166.8	-71	0	0	0	0	108.3
74	P	31.8	Very low	29.1	Very low	119 Å²	119	127 Å²	127	77%	0.773	77%	0.774	S	S	*	*				-100.2	-175.7	-78.3	38.8	-26.7	0	0	0	111.6
75	L	26.4	Very low	29	Very low	154 Å²	154	127.8 Å²	127.8	81%	0.806	77%	0.77	S	S	*	*			trans	162.4	119.3	150.4	-87.9	157.6	0	0	0	108.4
76	M	27.4	Very low	29	Very low	162 Å²	162	128.9 Å²	128.9	80%	0.798	77%	0.771	S	S	*	*				55.8	106.4	98.7	-74.3	-165.2	173.7	0	0	116.8
77	T	22.2	Very low	28.8	Very low	122 Å²	122	129.6 Å²	129.6	75%	0.748	76%	0.764	S	S	*	*			trans	36.6	112.6	138.5	57.5	0	0	0	0	120.1
78	L	26.1	Very low	28.6	Very low	173 Å²	173	129.9 Å²	129.9	91%	0.906	77%	0.766	S	S	*	*			trans	-173.3	160.6	131.1	-99.7	150.9	0	0	0	110.9
79	S	24.1	Very low	28.6	Very low	105 Å²	105	127.3 Å²	127.3	73%	0.734	76%	0.761	S	S	*	*			trans	-80.9	141.5	-166.8	51.5	0	0	0	0	115.1
80	C	27.1	Very low	28.4	Very low	115 Å²	115	129.7 Å²	129.7	78%	0.777	77%	0.766	S	S	*	*			trans	-115	101.9	176.2	-74.2	0	0	0	0	113
81	S	28.1	Very low	28.2	Very low	106 Å²	106	132.9 Å²	132.9	74%	0.741	77%	0.773	S	S	*	*			trans	-102.8	-1.3	169.3	-64.3	0	0	0	0	114.6
82	N	30.2	Very low	28.1	Very low	142 Å²	142	130.2 Å²	130.2	76%	0.759	77%	0.765	S	S	*	*	S	Bend	trans	-124.9	39.6	-163.6	-69	-1.1	0	0	0	115.3
83	V	29.5	Very low	28.1	Very low	114 Å²	114	130.9 Å²	130.9	69%	0.691	76%	0.761	S	S	*	*	S	Bend	trans	-127.6	-6.7	-173.1	-174.5	0	0	0	0	116.1
84	M	27.8	Very low	28.3	Very low	131 Å²	131	131.5 Å²	131.5	65%	0.645	76%	0.755	S	S	*	*	S	Bend	trans	-118.6	6.7	-178.8	-75	-69.7	-81.1	0	0	116.7	N86 I87	M84-N86 PolarHBondContact O-N 3.5Å; M84-N86 VanDerWaalsContact O-N 3.15Å; M84-I87 HydrophobicContact CE-CD1 3.94Å; M84-I87 HydrophobicContact SD-CD1 3.91Å
85	D	30.7	Very low	28.1	Very low	122 Å²	122	132.5 Å²	132.5	65%	0.652	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-13.8	173.6	-77	-41.5	0	0	0	114.2
86	N	30.9	Very low	28	Very low	156 Å²	156	132.4 Å²	132.4	83%	0.834	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-3.8	-177	-82.9	-33.9	0	0	0	115.6	M84	M84-N86 PolarHBondContact O-N 3.5Å; M84-N86 VanDerWaalsContact O-N 3.15Å
87	I	28.4	Very low	27.8	Very low	128 Å²	128	131.3 Å²	131.3	66%	0.656	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.4	-19.6	-177.6	-61.6	-172.6	0	0	0	113	M84 N89	M84-I87 HydrophobicContact CE-CD1 3.94Å; M84-I87 HydrophobicContact SD-CD1 3.91Å; I87-N89 PolarHBondContact O-N 3.4Å
88	S	30.3	Very low	27.9	Very low	107 Å²	107	132.6 Å²	132.6	75%	0.748	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-1.5	-176	-65.1	0	0	0	0	116.5
89	N	31.8	Very low	28	Very low	141 Å²	141	131.5 Å²	131.5	75%	0.754	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.4	9.8	-164.6	-77.7	-24.9	0	0	0	116.7	I87	I87-N89 PolarHBondContact O-N 3.4Å
90	N	28.3	Very low	28	Very low	153 Å²	153	136.1 Å²	136.1	82%	0.818	76%	0.763	S	S	*	*	S	Bend	trans	-137.7	9.8	-165.8	-123.8	-7.2	0	0	0	119.4
91	I	27.2	Very low	27.8	Very low	174 Å²	174	135.2 Å²	135.2	89%	0.892	76%	0.758	S	S	*	*			trans	-131.4	53.8	168.8	-44.3	-179.3	0	0	0	110.6
92	G	26.8	Very low	27.9	Very low	65 Å²	65	139 Å²	139	67%	0.67	76%	0.764	S	S	*	*			trans	-113	74.6	157.6	0	0	0	0	0	108.9
93	N	29.8	Very low	27.8	Very low	140 Å²	140	140.2 Å²	140.2	75%	0.749	77%	0.771	S	S	*	*	S	Bend	trans	171.2	133.4	155.8	-89.5	-29.2	0	0	0	111.6
94	N	29.7	Very low	28.2	Very low	132 Å²	132	138.4 Å²	138.4	71%	0.706	76%	0.763	S	S	*	*			trans	63.5	101.7	151.6	-56.1	-22.5	0	0	0	120.4
95	N	27.1	Very low	29.1	Very low	141 Å²	141	138.8 Å²	138.8	75%	0.754	77%	0.767	S	S	*	*				48.6	118	125.7	-58.8	-15.4	0	0	0	120.7
96	N	23.8	Very low	29.4	Very low	151 Å²	151	135.5 Å²	135.5	81%	0.807	75%	0.752	S	S	*	*			trans	50.9	89.2	142.8	-61.8	-12.6	0	0	0	117.9
97	T	24.3	Very low	30	Very low	139 Å²	139	130.1 Å²	130.1	85%	0.853	72%	0.723	S	S	*	*				-169.1	159.3	125.9	13.1	0	0	0	0	113.2
98	L	24.2	Very low	30.9	Very low	149 Å²	149	130.4 Å²	130.4	78%	0.78	72%	0.719	S	S	*	*	S	Bend	trans	75.7	117.9	166.5	-101.7	64.9	0	0	0	119.9
99	L	27.3	Very low	31.9	Very low	151 Å²	151	127.6 Å²	127.6	79%	0.791	70%	0.696	S	S	*	*			trans	80	69.8	151.4	-62.4	161.6	0	0	0	118	S101	L99-S101 PolarHBondContact O-N 2.9Å
100	Q	24.1	Very low	32.7	Very low	201 Å²	201	126.8 Å²	126.8	94%	0.939	69%	0.686	S	S	*	*			trans	-54.5	115.4	140.3	-71.3	171.3	-32.2	0	0	110.9
101	S	24.4	Very low	33.7	Very low	97 Å²	97	119.6 Å²	119.6	68%	0.678	65%	0.647	S	S	*	*			trans	-155.1	94.5	151.6	65.9	0	0	0	0	113.1	L99	L99-S101 PolarHBondContact O-N 2.9Å
102	Q	29.6	Very low	35.1	Very low	186 Å²	186	117 Å²	117	87%	0.869	64%	0.639	S	S	*	*			trans	53.7	120.5	141.9	-51.9	-155.2	-4.7	0	0	121.2	S104	Q102-S104 PolarHBondContact O-N 2.89Å
103	N	28.5	Very low	36	Very low	167 Å²	167	121.2 Å²	121.2	89%	0.893	64%	0.641	S	S	*	*			trans	-10.3	113.7	147.5	-61.7	-10	0	0	0	115.8
104	S	36.5	Very low	37.5	Very low	76 Å²	76	117.1 Å²	117.1	53%	0.531	62%	0.623	S	S	.	*			trans	-135.8	111.6	156.3	76	0	0	0	0	109.7	Q102 T106	Q102-S104 PolarHBondContact O-N 2.89Å; S104-T106 WeakPolarHBondContact CB-OG1 3.38Å; S104-T106 PolarHBondContact O-N 3.41Å
105	N	46.8	Very low	38.9	Very low	138 Å²	138	114.5 Å²	114.5	74%	0.738	62%	0.615	S	S	*	*			trans	-72.5	30.8	173.9	-86.5	-13.2	0	0	0	111.5	P121 W122	N105-P121 CarbonylContact O-C 3.53Å; N105-P121 VanDerWaalsContact O-CA 3.23Å; N105-P121 WeakPolarHBondContact O-CA 3.46Å; N105-W122 PolarHBondContact O-N 2.91Å
106	T	37.4	Very low	39.6	Very low	53 Å²	53	115.1 Å²	115.1	33%	0.325	61%	0.607	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-133	123.2	-166.6	49.6	0	0	0	0	111.2	S104 T120	S104-T106 WeakPolarHBondContact CB-OG1 3.38Å; S104-T106 PolarHBondContact O-N 3.41Å; T106-T120 CarbonylContact C-O 3.26Å; T106-T120 VanDerWaalsContact CA-O 3.23Å; T106-T120 WeakPolarHBondContact CA-O 3.34Å
107	I	44.2	Very low	40.7	Very low	44 Å²	44	114.2 Å²	114.2	23%	0.226	60%	0.598	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.7	135	172.7	-56.7	165.7	0	0	0	108	L109 T119 T120 W122 L125	I107-L109 HydrophobicContact CG2-CD2 4.05Å; I107-L109 HydrophobicContact CG2-CG 4.32Å; I107-T119 VanDerWaalsContact O-CA 3.3Å; I107-T119 WeakPolarHBondContact O-CA 3.31Å; I107-T120 PolarHBondContact N-O 3.49Å; I107-T120 PolarHBondContact O-N 3.34Å; I107-W122 HydrophobicContact CD1-CB 4.33Å; I107-W122 HydrophobicContact CD1-CG 4.22Å; I107-W122 HydrophobicContact CG1-CB 4.37Å; I107-W122 HydrophobicContact CG1-CG 4.46Å; I107-L125 HydrophobicContact CD1-CB 3.93Å; I107-L125 HydrophobicContact CD1-CD1 3.39Å; I107-L125 HydrophobicContact CD1-CG 4.24Å
108	F	47.5	Very low	41.8	Very low	133 Å²	133	110.6 Å²	110.6	58%	0.583	57%	0.57	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-86.9	118.5	169.9	-66.3	-97.7	0	0	0	109.1	T119	F108-T119 HydrophobicContact CD1-CG2 3.57Å; F108-T119 HydrophobicContact CE1-CG2 3.48Å; F108-T119 VanDerWaalsContact CE1-CG2 3.48Å; F108-T119 HydrophobicContact CE2-CG2 4.43Å; F108-T119 HydrophobicContact CG-CG2 4.1Å; F108-T119 HydrophobicContact CZ-CG2 3.94Å
109	L	50.5	Low	43.1	Very low	49 Å²	49	107.2 Å²	107.2	26%	0.257	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111	140	172.4	-65.8	-179	0	0	0	109.3	L6 I107 E117 F118 T120	L6-L109 HydrophobicContact CD2-CD1 3.86Å; I107-L109 HydrophobicContact CG2-CD2 4.05Å; I107-L109 HydrophobicContact CG2-CG 4.32Å; L109-E117 CarbonylContact O-C 3.57Å; L109-E117 WeakPolarHBondContact O-CA 3.43Å; L109-F118 HydrophobicContact CB-CD1 4.43Å; L109-F118 HydrophobicContact CB-CD2 4.28Å; L109-F118 HydrophobicContact CB-CE1 3.89Å; L109-F118 HydrophobicContact CB-CE2 3.73Å; L109-F118 HydrophobicContact CB-CZ 3.5Å; L109-F118 HydrophobicContact CD1-CE2 3.86Å; L109-F118 HydrophobicContact CD1-CZ 3.96Å; L109-F118 HydrophobicContact CG-CE2 4.35Å; L109-F118 HydrophobicContact CG-CZ 4.38Å; L109-F118 PolarHBondContact N-O 3.4Å; L109-F118 WeakPolarHBondContact O-CD1 3.46Å; L109-F118 PolarHBondContact O-N 3.3Å; L109-T120 HydrophobicContact CD1-CG2 3.67Å; L109-T120 HydrophobicContact CG-CG2 4.25Å
110	K	48.9	Very low	43.9	Very low	124 Å²	124	100.6 Å²	100.6	54%	0.539	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	121.8	176.4	-170.3	170.9	-175.9	167.8	0	109.2	V112 S115 E117	K110-V112 PolarHBondContact O-N 3.11Å; K110-S115 WeakPolarHBondContact CE-O 3.39Å; K110-E117 HydrophobicContact CB-CG 4.36Å; K110-E117 HydrophobicContact CG-CG 4.27Å
111	C	49	Very low	44.8	Very low	1 Å²	1	94.1 Å²	94.1	1%	0.007	50%	0.497	C	S	.	.			trans	-66.4	120.7	175	179.5	0	0	0	0	109.7	C11 Q113 C114 S115 R116 F118	C11-C111 VanDerWaalsContact SG-SG 3.68Å; C111-Q113 PolarHBondContact O-N 2.92Å; C111-C114 VanDerWaalsContact CB-SG 3.54Å; C111-S115 WeakPolarHBondContact O-CA 3.45Å; C111-S115 PolarHBondContact O-N 2.9Å; C111-R116 PolarHBondContact N-O 3.48Å; C111-F118 HydrophobicContact CB-CE1 4.27Å
112	V	56.4	Low	46.1	Very low	119 Å²	119	96.5 Å²	96.5	72%	0.721	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-38.4	179.4	179	0	0	0	0	111.8	K110	K110-V112 PolarHBondContact O-N 3.11Å
113	Q	45.6	Very low	47.1	Very low	154 Å²	154	92.6 Å²	92.6	72%	0.72	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-29.6	-169.8	-139.2	70.2	-18.6	0	0	115.3	C111	C111-Q113 PolarHBondContact O-N 2.92Å
114	C	62.8	Low	47.9	Very low	55 Å²	55	88 Å²	88	37%	0.372	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	4.3	179.3	66.9	0	0	0	0	113.7	C111 R116	C111-C114 VanDerWaalsContact CB-SG 3.54Å; C114-R116 PolarHBondContact O-N 3.43Å; C114-R116 WeakPolarHBondContact SG-CB 3.37Å
115	S	57.6	Low	48.3	Very low	76 Å²	76	86.2 Å²	86.2	53%	0.531	44%	0.437	S	S	.	.			trans	52.7	13.3	-174.3	-76.6	0	0	0	0	115.3	K110 C111	K110-S115 WeakPolarHBondContact CE-O 3.39Å; C111-S115 WeakPolarHBondContact O-CA 3.45Å; C111-S115 PolarHBondContact O-N 2.9Å
116	R	41.5	Very low	48	Very low	154 Å²	154	81.9 Å²	81.9	58%	0.581	41%	0.413	S	S	*	.			trans	-85.4	128.4	-174.4	-147.3	172.9	-161.7	172.7	5.3	110	T10 C111 C114	T10-R116 PolarHBondContact OG1-NH1 3.24Å; C111-R116 PolarHBondContact N-O 3.48Å; C114-R116 PolarHBondContact O-N 3.43Å; C114-R116 WeakPolarHBondContact SG-CB 3.37Å
117	E	47.3	Very low	48.3	Very low	132 Å²	132	85 Å²	85	62%	0.617	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	141.2	176.3	-69.5	166.2	-163.7	0	0	110.3	L109 K110	L109-E117 CarbonylContact O-C 3.57Å; L109-E117 WeakPolarHBondContact O-CA 3.43Å; K110-E117 HydrophobicContact CB-CG 4.36Å; K110-E117 HydrophobicContact CG-CG 4.27Å
118	F	48.7	Very low	48.1	Very low	63 Å²	63	84.2 Å²	84.2	28%	0.276	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	150.3	173.5	64.2	-87.8	0	0	0	109.5	L6 L109 C111 T120	L6-F118 HydrophobicContact CD2-CE2 3.79Å; L6-F118 HydrophobicContact CD2-CZ 4.07Å; L109-F118 HydrophobicContact CB-CD1 4.43Å; L109-F118 HydrophobicContact CB-CD2 4.28Å; L109-F118 HydrophobicContact CB-CE1 3.89Å; L109-F118 HydrophobicContact CB-CE2 3.73Å; L109-F118 HydrophobicContact CB-CZ 3.5Å; L109-F118 HydrophobicContact CD1-CE2 3.86Å; L109-F118 HydrophobicContact CD1-CZ 3.96Å; L109-F118 HydrophobicContact CG-CE2 4.35Å; L109-F118 HydrophobicContact CG-CZ 4.38Å; L109-F118 PolarHBondContact N-O 3.4Å; L109-F118 WeakPolarHBondContact O-CD1 3.46Å; L109-F118 PolarHBondContact O-N 3.3Å; C111-F118 HydrophobicContact CB-CE1 4.27Å; F118-T120 HydrophobicContact CD2-CG2 3.93Å; F118-T120 HydrophobicContact CE2-CG2 3.68Å
119	T	49.8	Very low	47.7	Very low	79 Å²	79	81.1 Å²	81.1	49%	0.485	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	137.7	-179.1	48.4	0	0	0	0	111.2	I107 F108	I107-T119 VanDerWaalsContact O-CA 3.3Å; I107-T119 WeakPolarHBondContact O-CA 3.31Å; F108-T119 HydrophobicContact CD1-CG2 3.57Å; F108-T119 HydrophobicContact CE1-CG2 3.48Å; F108-T119 VanDerWaalsContact CE1-CG2 3.48Å; F108-T119 HydrophobicContact CE2-CG2 4.43Å; F108-T119 HydrophobicContact CG-CG2 4.1Å; F108-T119 HydrophobicContact CZ-CG2 3.94Å
120	T	44.5	Very low	47.3	Very low	11 Å²	11	80.6 Å²	80.6	7%	0.067	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	145.2	170.1	97.3	0	0	0	0	109.4	L6 T106 I107 L109 F118	L6-T120 HydrophobicContact CD2-CG2 4.22Å; T106-T120 CarbonylContact C-O 3.26Å; T106-T120 VanDerWaalsContact CA-O 3.23Å; T106-T120 WeakPolarHBondContact CA-O 3.34Å; I107-T120 PolarHBondContact N-O 3.49Å; I107-T120 PolarHBondContact O-N 3.34Å; L109-T120 HydrophobicContact CD1-CG2 3.67Å; L109-T120 HydrophobicContact CG-CG2 4.25Å; F118-T120 HydrophobicContact CD2-CG2 3.93Å; F118-T120 HydrophobicContact CE2-CG2 3.68Å
121	P	43.9	Very low	46.9	Very low	66 Å²	66	79 Å²	79	43%	0.429	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	139.6	169.9	-24.6	35.8	0	0	0	111.4	N105 T123 F124	N105-P121 CarbonylContact O-C 3.53Å; N105-P121 VanDerWaalsContact O-CA 3.23Å; N105-P121 WeakPolarHBondContact O-CA 3.46Å; P121-T123 WeakPolarHBondContact CB-OG1 2.98Å; P121-T123 PolarHBondContact O-N 3.34Å; P121-T123 VanDerWaalsContact O-N 3.14Å; P121-F124 WeakPolarHBondContact O-CB 3.41Å; P121-F124 PolarHBondContact O-N 2.82Å
122	W	51.5	Low	46.5	Very low	147 Å²	147	84.5 Å²	84.5	56%	0.557	43%	0.427	S	S	*	.	H	α-helix	trans	-56.5	-31.2	175.5	-166.5	82.7	0	0	0	112	N105 I107 F124 L125 M126	N105-W122 PolarHBondContact O-N 2.91Å; I107-W122 HydrophobicContact CD1-CB 4.33Å; I107-W122 HydrophobicContact CD1-CG 4.22Å; I107-W122 HydrophobicContact CG1-CB 4.37Å; I107-W122 HydrophobicContact CG1-CG 4.46Å; W122-F124 PolarHBondContact O-N 2.87Å; W122-L125 PolarHBondContact O-N 3.46Å; W122-M126 HydrophobicContact CD2-CG 4.29Å; W122-M126 HydrophobicContact CE3-CE 4.38Å; W122-M126 HydrophobicContact CE3-CG 3.89Å; W122-M126 HydrophobicContact CH2-CE 3.19Å; W122-M126 HydrophobicContact CH2-CG 4.39Å; W122-M126 HydrophobicContact CZ2-CE 3.46Å; W122-M126 VanDerWaalsContact CZ2-CE 3.46Å; W122-M126 HydrophobicContact CZ3-CE 3.69Å; W122-M126 HydrophobicContact CZ3-CG 3.95Å; W122-M126 PolarHBondContact O-N 3.15Å
123	T	49.3	Very low	45.9	Very low	103 Å²	103	82.4 Å²	82.4	63%	0.632	41%	0.409	S	S	*	.	H	α-helix	trans	-59.1	-25.5	172.3	54.2	0	0	0	0	114	P121 H127	P121-T123 WeakPolarHBondContact CB-OG1 2.98Å; P121-T123 PolarHBondContact O-N 3.34Å; P121-T123 VanDerWaalsContact O-N 3.14Å; T123-H127 PolarHBondContact O-N 2.82Å; T123-H127 VanDerWaalsContact O-N 3.15Å
124	F	45.8	Very low	45.7	Very low	72 Å²	72	78.2 Å²	78.2	32%	0.316	39%	0.391	S	S	.	.	H	α-helix	trans	-72.1	-45.4	176.6	-161	-72	0	0	0	111.2	D4 L6 P121 W122 H127 V128	D4-F124 HydrophobicContact CB-CE2 4.37Å; D4-F124 HydrophobicContact CB-CZ 4.2Å; D4-F124 WeakPolarHBondContact O-CZ 3.46Å; L6-F124 HydrophobicContact CD1-CD1 3.82Å; L6-F124 HydrophobicContact CD1-CE1 3.21Å; L6-F124 HydrophobicContact CD1-CZ 3.84Å; L6-F124 HydrophobicContact CG-CE1 4.45Å; P121-F124 WeakPolarHBondContact O-CB 3.41Å; P121-F124 PolarHBondContact O-N 2.82Å; W122-F124 PolarHBondContact O-N 2.87Å; F124-H127 PolarHBondContact O-N 2.89Å; F124-V128 PolarHBondContact O-N 2.96Å
125	L	45.1	Very low	44.8	Very low	38 Å²	38	80.6 Å²	80.6	20%	0.199	40%	0.399	C	S	.	.	H	α-helix	trans	-71	-30.9	176.2	-100.2	164.8	0	0	0	112.1	I107 W122 H127 V128 Q129	I107-L125 HydrophobicContact CD1-CB 3.93Å; I107-L125 HydrophobicContact CD1-CD1 3.39Å; I107-L125 HydrophobicContact CD1-CG 4.24Å; W122-L125 PolarHBondContact O-N 3.46Å; L125-H127 VanDerWaalsContact C-N 3.33Å; L125-H127 PolarHBondContact O-N 3.04Å; L125-V128 WeakPolarHBondContact O-CB 3.49Å; L125-V128 PolarHBondContact O-N 2.92Å; L125-Q129 PolarHBondContact O-N 3.1Å
126	M	40.5	Very low	43.7	Very low	46 Å²	46	83.3 Å²	83.3	23%	0.227	40%	0.401	C	S	.	.	H	α-helix	trans	-62.8	-37.8	169.4	-83.3	-63.1	-177.2	0	0	113.1	W122 V128 Q129 V130	W122-M126 HydrophobicContact CD2-CG 4.29Å; W122-M126 HydrophobicContact CE3-CE 4.38Å; W122-M126 HydrophobicContact CE3-CG 3.89Å; W122-M126 HydrophobicContact CH2-CE 3.19Å; W122-M126 HydrophobicContact CH2-CG 4.39Å; W122-M126 HydrophobicContact CZ2-CE 3.46Å; W122-M126 VanDerWaalsContact CZ2-CE 3.46Å; W122-M126 HydrophobicContact CZ3-CE 3.69Å; W122-M126 HydrophobicContact CZ3-CG 3.95Å; W122-M126 PolarHBondContact O-N 3.15Å; M126-V128 PolarHBondContact O-N 3.15Å; M126-Q129 PolarHBondContact O-N 2.91Å; M126-Q129 VanDerWaalsContact O-N 3.13Å; M126-Q129 HydrophobicContact SD-CB 4.5Å; M126-V130 WeakPolarHBondContact O-CG2 3.36Å; M126-V130 PolarHBondContact O-N 3.37Å
127	H	42.9	Very low	43.8	Very low	120 Å²	120	80.5 Å²	80.5	56%	0.556	40%	0.397	S	S	*	.	H	α-helix	trans	-64.1	-25.9	176.6	-146.5	-65.4	0	0	0	112.8	T123 F124 L125	T123-H127 PolarHBondContact O-N 2.82Å; T123-H127 VanDerWaalsContact O-N 3.15Å; F124-H127 PolarHBondContact O-N 2.89Å; L125-H127 VanDerWaalsContact C-N 3.33Å; L125-H127 PolarHBondContact O-N 3.04Å
128	V	40.9	Very low	43.7	Very low	26 Å²	26	78.8 Å²	78.8	16%	0.158	39%	0.392	C	S	.	.	H	α-helix	trans	-76.1	-44.3	171.1	169.7	0	0	0	0	111.4	L17 F124 L125 M126 V130 E131 H132	L17-V128 HydrophobicContact CD1-CG2 4.44Å; L17-V128 HydrophobicContact CD2-CB 4.26Å; L17-V128 HydrophobicContact CD2-CG1 3.65Å; L17-V128 HydrophobicContact CD2-CG2 3.54Å; F124-V128 PolarHBondContact O-N 2.96Å; L125-V128 WeakPolarHBondContact O-CB 3.49Å; L125-V128 PolarHBondContact O-N 2.92Å; M126-V128 PolarHBondContact O-N 3.15Å; V128-V130 VanDerWaalsContact C-N 3.26Å; V128-V130 PolarHBondContact O-N 3.43Å; V128-E131 PolarHBondContact O-N 3Å; V128-H132 PolarHBondContact O-N 3.26Å; V128-H132 VanDerWaalsContact O-N 3.08Å
129	Q	39.2	Very low	43.5	Very low	69 Å²	69	79.6 Å²	79.6	32%	0.322	40%	0.402	S	S	.	.	H	α-helix	trans	-64.1	-32	-179.2	-166.6	152.7	-27.4	0	0	112.3	L125 M126 H132 Q133	L125-Q129 PolarHBondContact O-N 3.1Å; M126-Q129 PolarHBondContact O-N 2.91Å; M126-Q129 VanDerWaalsContact O-N 3.13Å; M126-Q129 HydrophobicContact SD-CB 4.5Å; Q129-H132 PolarHBondContact O-N 2.97Å; Q129-Q133 PolarHBondContact O-N 3.35Å
130	V	42.4	Very low	43.3	Very low	38 Å²	38	80.2 Å²	80.2	23%	0.23	40%	0.401	C	S	.	.	H	α-helix	trans	-65.7	-36.5	170.9	174.1	0	0	0	0	112.4	M126 V128 Q133 L134 R809	M126-V130 WeakPolarHBondContact O-CG2 3.36Å; M126-V130 PolarHBondContact O-N 3.37Å; V128-V130 VanDerWaalsContact C-N 3.26Å; V128-V130 PolarHBondContact O-N 3.43Å; V130-Q133 PolarHBondContact O-N 2.99Å; V130-L134 HydrophobicContact CG1-CD1 4.4Å; V130-L134 WeakPolarHBondContact O-CG 3.49Å; V130-L134 PolarHBondContact O-N 2.62Å; V130-R809 WeakPolarHBondContact CG2-O 3.44Å
131	E	40.3	Very low	43.3	Very low	89 Å²	89	84 Å²	84	42%	0.416	42%	0.418	S	S	.	.	H	α-helix	trans	-68.6	-37.8	173.2	-71.2	-157.5	159.2	0	0	111.9	V128 L134 I135	V128-E131 PolarHBondContact O-N 3Å; E131-L134 PolarHBondContact O-N 3.43Å; E131-I135 WeakPolarHBondContact O-CG1 3.44Å; E131-I135 PolarHBondContact O-N 3.25Å
132	H	40.3	Very low	43.8	Very low	118 Å²	118	88.5 Å²	88.5	55%	0.546	43%	0.431	S	S	.	.	H	α-helix	trans	-63.8	-39.8	172.5	-86.1	-147.4	0	0	0	112.5	V128 Q129 I135 F136	V128-H132 PolarHBondContact O-N 3.26Å; V128-H132 VanDerWaalsContact O-N 3.08Å; Q129-H132 PolarHBondContact O-N 2.97Å; H132-I135 PolarHBondContact O-N 2.88Å; H132-F136 PolarHBondContact O-N 2.99Å
133	Q	43.7	Very low	43.6	Very low	74 Å²	74	88.6 Å²	88.6	35%	0.346	44%	0.436	S	S	.	.	H	α-helix	trans	-65.5	-36	172.5	-76.2	-163.5	-15.7	0	0	112.6	Q129 V130 I135 F136 I137	Q129-Q133 PolarHBondContact O-N 3.35Å; V130-Q133 PolarHBondContact O-N 2.99Å; Q133-I135 VanDerWaalsContact C-N 3.34Å; Q133-I135 PolarHBondContact O-N 2.81Å; Q133-F136 PolarHBondContact O-N 3.46Å; Q133-I137 WeakPolarHBondContact O-CB 3.26Å; Q133-I137 VanDerWaalsContact O-CG1 3.26Å; Q133-I137 WeakPolarHBondContact O-CG1 3.48Å; Q133-I137 PolarHBondContact O-N 3.42Å
134	L	42.1	Very low	43.1	Very low	67 Å²	67	87 Å²	87	35%	0.351	43%	0.429	S	S	.	.	H	α-helix	trans	-64.6	-36.2	173	-76.3	166.1	0	0	0	112.5	V130 E131 N138	V130-L134 HydrophobicContact CG1-CD1 4.4Å; V130-L134 WeakPolarHBondContact O-CG 3.49Å; V130-L134 PolarHBondContact O-N 2.62Å; E131-L134 PolarHBondContact O-N 3.43Å; L134-N138 WeakPolarHBondContact O-CB 3.37Å; L134-N138 PolarHBondContact O-N 3.19Å; L134-N138 VanDerWaalsContact O-N 3.09Å; L134-N138 PolarHBondContact O-ND2 3.41Å
135	I	42.9	Very low	43.9	Very low	104 Å²	104	89 Å²	89	53%	0.533	44%	0.437	S	S	.	.	H	α-helix	trans	-67	-42.1	172.8	-66.3	164.9	0	0	0	110.4	E131 H132 Q133 N138 T139	E131-I135 WeakPolarHBondContact O-CG1 3.44Å; E131-I135 PolarHBondContact O-N 3.25Å; H132-I135 PolarHBondContact O-N 2.88Å; Q133-I135 VanDerWaalsContact C-N 3.34Å; Q133-I135 PolarHBondContact O-N 2.81Å; I135-N138 PolarHBondContact O-N 3.41Å; I135-T139 WeakPolarHBondContact O-CB 3.43Å; I135-T139 PolarHBondContact O-N 3.33Å; I135-T139 PolarHBondContact O-OG1 2.87Å
136	F	35.1	Very low	44.5	Very low	133 Å²	133	91.1 Å²	91.1	58%	0.583	45%	0.452	S	S	*	.	H	α-helix	trans	-64.4	-44.2	177.7	-171.7	-113.3	0	0	0	112.3	H132 Q133 N138 T139 I140	H132-F136 PolarHBondContact O-N 2.99Å; Q133-F136 PolarHBondContact O-N 3.46Å; F136-N138 PolarHBondContact O-N 3.28Å; F136-T139 CarbonylContact O-C 3.34Å; F136-T139 WeakPolarHBondContact O-CA 3.44Å; F136-T139 WeakPolarHBondContact O-CB 3.43Å; F136-T139 PolarHBondContact O-N 3.42Å; F136-I140 HydrophobicContact CD1-CD1 3.8Å; F136-I140 HydrophobicContact CE1-CD1 3.4Å; F136-I140 HydrophobicContact CE1-CG1 4.28Å; F136-I140 HydrophobicContact CZ-CD1 3.85Å; F136-I140 HydrophobicContact CZ-CG1 4.38Å; F136-I140 PolarHBondContact O-N 2.77Å
137	I	44.3	Very low	45.1	Very low	95 Å²	95	93.7 Å²	93.7	49%	0.487	46%	0.463	S	S	.	.	H	α-helix	trans	-60.4	-46.8	175	-69.1	164	0	0	0	110.9	Q133 T139 I140 E141	Q133-I137 WeakPolarHBondContact O-CB 3.26Å; Q133-I137 VanDerWaalsContact O-CG1 3.26Å; Q133-I137 WeakPolarHBondContact O-CG1 3.48Å; Q133-I137 PolarHBondContact O-N 3.42Å; I137-T139 PolarHBondContact O-N 3.31Å; I137-I140 PolarHBondContact O-N 3.43Å; I137-E141 WeakPolarHBondContact O-CB 3.25Å; I137-E141 PolarHBondContact O-N 3.22Å
138	N	45.1	Very low	45.6	Very low	96 Å²	96	92.3 Å²	92.3	51%	0.513	46%	0.457	S	S	.	.	H	α-helix	trans	-60.1	-28.9	173.9	-82.3	-63.6	0	0	0	112.8	L134 I135 F136 K142	L134-N138 WeakPolarHBondContact O-CB 3.37Å; L134-N138 PolarHBondContact O-N 3.19Å; L134-N138 VanDerWaalsContact O-N 3.09Å; L134-N138 PolarHBondContact O-ND2 3.41Å; I135-N138 PolarHBondContact O-N 3.41Å; F136-N138 PolarHBondContact O-N 3.28Å; N138-K142 WeakPolarHBondContact O-CB 3.33Å; N138-K142 WeakPolarHBondContact O-CG 3.44Å; N138-K142 PolarHBondContact O-N 3.49Å; N138-K142 VanDerWaalsContact O-N 3.1Å
139	T	44.2	Very low	46.6	Very low	80 Å²	80	96 Å²	96	49%	0.491	47%	0.473	S	S	.	.	H	α-helix	trans	-77.3	-41.6	177.9	-55.3	0	0	0	0	111.4	I135 F136 I137 K142 F143	I135-T139 WeakPolarHBondContact O-CB 3.43Å; I135-T139 PolarHBondContact O-N 3.33Å; I135-T139 PolarHBondContact O-OG1 2.87Å; F136-T139 CarbonylContact O-C 3.34Å; F136-T139 WeakPolarHBondContact O-CA 3.44Å; F136-T139 WeakPolarHBondContact O-CB 3.43Å; F136-T139 PolarHBondContact O-N 3.42Å; I137-T139 PolarHBondContact O-N 3.31Å; T139-K142 PolarHBondContact O-N 3.24Å; T139-F143 WeakPolarHBondContact O-CB 3.41Å; T139-F143 PolarHBondContact O-N 3.02Å
140	I	45	Very low	47.4	Very low	92 Å²	92	98.5 Å²	98.5	47%	0.472	48%	0.484	S	S	.	.	H	α-helix	trans	-62	-43.6	170.7	-70.2	174.7	0	0	0	110.6	F136 I137 K142 F143 S144	F136-I140 HydrophobicContact CD1-CD1 3.8Å; F136-I140 HydrophobicContact CE1-CD1 3.4Å; F136-I140 HydrophobicContact CE1-CG1 4.28Å; F136-I140 HydrophobicContact CZ-CD1 3.85Å; F136-I140 HydrophobicContact CZ-CG1 4.38Å; F136-I140 PolarHBondContact O-N 2.77Å; I137-I140 PolarHBondContact O-N 3.43Å; I140-K142 VanDerWaalsContact C-N 3.34Å; I140-K142 PolarHBondContact O-N 3Å; I140-F143 PolarHBondContact O-N 3.1Å; I140-F143 VanDerWaalsContact O-N 3.15Å; I140-S144 WeakPolarHBondContact O-CB 3.25Å; I140-S144 PolarHBondContact O-N 2.84Å
141	E	43.8	Very low	47.8	Very low	91 Å²	91	101.7 Å²	101.7	43%	0.425	50%	0.5	S	S	.	.	H	α-helix	trans	-64.4	-39.7	179.6	-159.3	-165.5	141.2	0	0	111.4	I137 K145	I137-E141 WeakPolarHBondContact O-CB 3.25Å; I137-E141 PolarHBondContact O-N 3.22Å; E141-K145 WeakPolarHBondContact O-CB 3.5Å; E141-K145 WeakPolarHBondContact O-CG 3.38Å; E141-K145 PolarHBondContact O-N 3.5Å; E141-K145 WeakPolarHBondContact OE1-CE 3.16Å; E141-K145 IonicContact OE1-NZ 2.62Å; E141-K145 PolarHBondContact OE1-NZ 3.48Å
142	K	56.2	Low	48.8	Very low	160 Å²	160	102.8 Å²	102.8	70%	0.696	50%	0.503	S	S	*	.	H	α-helix	trans	-61	-46.2	169.5	-84.8	-176.3	174.6	-178.1	0	112.3	N138 T139 I140 K145 T146	N138-K142 WeakPolarHBondContact O-CB 3.33Å; N138-K142 WeakPolarHBondContact O-CG 3.44Å; N138-K142 PolarHBondContact O-N 3.49Å; N138-K142 VanDerWaalsContact O-N 3.1Å; T139-K142 PolarHBondContact O-N 3.24Å; I140-K142 VanDerWaalsContact C-N 3.34Å; I140-K142 PolarHBondContact O-N 3Å; K142-K145 PolarHBondContact O-N 3.25Å; K142-T146 PolarHBondContact O-N 2.83Å; K142-T146 PolarHBondContact O-OG1 3.1Å
143	F	46.5	Very low	49.9	Very low	149 Å²	149	101.7 Å²	101.7	65%	0.654	50%	0.501	S	S	*	.	H	α-helix	trans	-62.8	-44.4	-179.6	-167.1	-92.9	0	0	0	111.5	T139 I140 T146 H147	T139-F143 WeakPolarHBondContact O-CB 3.41Å; T139-F143 PolarHBondContact O-N 3.02Å; I140-F143 PolarHBondContact O-N 3.1Å; I140-F143 VanDerWaalsContact O-N 3.15Å; F143-T146 WeakPolarHBondContact CA-OG1 3.36Å; F143-T146 PolarHBondContact O-N 2.94Å; F143-T146 PolarHBondContact O-OG1 3.04Å; F143-H147 PolarHBondContact O-N 3.33Å
144	S	39.7	Very low	50.2	Low	69 Å²	69	102.1 Å²	102.1	48%	0.483	51%	0.509	S	S	.	.	H	α-helix	trans	-57.9	-49.6	174.3	-172.3	0	0	0	0	111.4	I140 T146 H147 E148	I140-S144 WeakPolarHBondContact O-CB 3.25Å; I140-S144 PolarHBondContact O-N 2.84Å; S144-T146 VanDerWaalsContact C-N 3.34Å; S144-T146 PolarHBondContact O-N 2.86Å; S144-H147 PolarHBondContact O-N 3.27Å; S144-H147 VanDerWaalsContact O-N 3.1Å; S144-E148 WeakPolarHBondContact O-CB 2.95Å; S144-E148 PolarHBondContact O-N 2.63Å
145	K	62.1	Low	50.6	Low	115 Å²	115	104.7 Å²	104.7	50%	0.5	52%	0.522	S	S	.	.	H	α-helix	trans	-61.3	-37.1	176.4	-75.6	171.9	174.1	172.1	0	113.1	E141 K142 Q149	E141-K145 WeakPolarHBondContact O-CB 3.5Å; E141-K145 WeakPolarHBondContact O-CG 3.38Å; E141-K145 PolarHBondContact O-N 3.5Å; E141-K145 WeakPolarHBondContact OE1-CE 3.16Å; E141-K145 IonicContact OE1-NZ 2.62Å; E141-K145 PolarHBondContact OE1-NZ 3.48Å; K142-K145 PolarHBondContact O-N 3.25Å; K145-Q149 WeakPolarHBondContact O-CB 3.46Å; K145-Q149 PolarHBondContact O-N 3.15Å
146	T	57.3	Low	51.4	Low	82 Å²	82	103 Å²	103	50%	0.503	52%	0.52	S	S	.	.	H	α-helix	trans	-68.6	-37.5	172.3	33.3	0	0	0	0	113.1	K142 F143 S144 Q149 Q150	K142-T146 PolarHBondContact O-N 2.83Å; K142-T146 PolarHBondContact O-OG1 3.1Å; F143-T146 WeakPolarHBondContact CA-OG1 3.36Å; F143-T146 PolarHBondContact O-N 2.94Å; F143-T146 PolarHBondContact O-OG1 3.04Å; S144-T146 VanDerWaalsContact C-N 3.34Å; S144-T146 PolarHBondContact O-N 2.86Å; T146-Q149 PolarHBondContact O-N 3.27Å; T146-Q150 WeakPolarHBondContact O-CG 3.44Å; T146-Q150 PolarHBondContact O-N 2.9Å
147	H	52.8	Low	52.2	Low	100 Å²	100	100 Å²	100	46%	0.463	52%	0.515	S	S	.	.	H	α-helix	trans	-70.8	-37.9	177.6	-164.2	-89.8	0	0	0	111.8	F143 S144 Q150 L151	F143-H147 PolarHBondContact O-N 3.33Å; S144-H147 PolarHBondContact O-N 3.27Å; S144-H147 VanDerWaalsContact O-N 3.1Å; H147-Q150 PolarHBondContact O-N 3.4Å; H147-L151 PolarHBondContact O-N 3.28Å
148	E	53.2	Low	52.4	Low	91 Å²	91	99.3 Å²	99.3	43%	0.425	51%	0.513	S	S	.	.	H	α-helix	trans	-63.6	-42	172.1	-165.4	-164.2	145.2	0	0	111.3	S144 L151 K152	S144-E148 WeakPolarHBondContact O-CB 2.95Å; S144-E148 PolarHBondContact O-N 2.63Å; E148-L151 PolarHBondContact O-N 3.1Å; E148-K152 WeakPolarHBondContact O-CG 3.19Å; E148-K152 PolarHBondContact O-N 3.25Å; E148-K152 VanDerWaalsContact OE1-CE 3.31Å; E148-K152 WeakPolarHBondContact OE1-CE 3.49Å; E148-K152 IonicContact OE1-NZ 2.74Å; E148-K152 PolarHBondContact OE1-NZ 2.87Å
149	Q	63.3	Low	52.6	Low	104 Å²	104	97.9 Å²	97.9	49%	0.486	51%	0.507	S	S	.	.	H	α-helix	trans	-66.7	-37.6	174.9	-168.1	64.5	51	0	0	112	K145 T146 K152 N153	K145-Q149 WeakPolarHBondContact O-CB 3.46Å; K145-Q149 PolarHBondContact O-N 3.15Å; T146-Q149 PolarHBondContact O-N 3.27Å; Q149-K152 PolarHBondContact O-N 3.23Å; Q149-N153 PolarHBondContact NE2-OD1 2.97Å; Q149-N153 WeakPolarHBondContact O-CB 3.3Å; Q149-N153 PolarHBondContact O-N 3.1Å; Q149-N153 PolarHBondContact O-OD1 2.81Å; Q149-N153 VanDerWaalsContact O-OD1 3.11Å
150	Q	55.3	Low	52.8	Low	122 Å²	122	100.1 Å²	100.1	57%	0.57	51%	0.512	S	S	*	.	H	α-helix	trans	-61.9	-46.3	172.2	-78.3	177.5	-32.6	0	0	111.1	T146 H147 K152 N153 T154	T146-Q150 WeakPolarHBondContact O-CG 3.44Å; T146-Q150 PolarHBondContact O-N 2.9Å; H147-Q150 PolarHBondContact O-N 3.4Å; Q150-K152 PolarHBondContact O-N 2.86Å; Q150-N153 PolarHBondContact O-N 2.87Å; Q150-T154 PolarHBondContact O-N 2.9Å; Q150-T154 PolarHBondContact O-OG1 3.35Å
151	L	50.4	Low	52.9	Low	105 Å²	105	102.2 Å²	102.2	55%	0.55	52%	0.52	S	S	.	.	H	α-helix	trans	-58.1	-47	174.3	-85.2	160.7	0	0	0	112.3	H147 E148 N153 T154 L155	H147-L151 PolarHBondContact O-N 3.28Å; E148-L151 PolarHBondContact O-N 3.1Å; L151-N153 PolarHBondContact O-N 3.41Å; L151-T154 PolarHBondContact O-N 3.08Å; L151-L155 WeakPolarHBondContact O-CB 3.44Å; L151-L155 PolarHBondContact O-N 3.03Å
152	K	62.3	Low	53	Low	112 Å²	112	103.4 Å²	103.4	49%	0.487	53%	0.529	S	S	.	.	H	α-helix	trans	-60.6	-43.6	176.5	-78	171.7	172.4	167.8	0	112.4	E148 Q149 Q150 L155 S156	E148-K152 WeakPolarHBondContact O-CG 3.19Å; E148-K152 PolarHBondContact O-N 3.25Å; E148-K152 VanDerWaalsContact OE1-CE 3.31Å; E148-K152 WeakPolarHBondContact OE1-CE 3.49Å; E148-K152 IonicContact OE1-NZ 2.74Å; E148-K152 PolarHBondContact OE1-NZ 2.87Å; Q149-K152 PolarHBondContact O-N 3.23Å; Q150-K152 PolarHBondContact O-N 2.86Å; K152-L155 PolarHBondContact O-N 3.13Å; K152-S156 WeakPolarHBondContact O-CB 3.39Å; K152-S156 PolarHBondContact O-N 2.93Å
153	N	63.3	Low	52.4	Low	95 Å²	95	100.1 Å²	100.1	51%	0.508	52%	0.518	S	S	.	.	H	α-helix	trans	-64.9	-43	178.1	-67.9	3.7	0	0	0	111.6	Q149 Q150 L151 S156 S157	Q149-N153 PolarHBondContact NE2-OD1 2.97Å; Q149-N153 WeakPolarHBondContact O-CB 3.3Å; Q149-N153 PolarHBondContact O-N 3.1Å; Q149-N153 PolarHBondContact O-OD1 2.81Å; Q149-N153 VanDerWaalsContact O-OD1 3.11Å; Q150-N153 PolarHBondContact O-N 2.87Å; L151-N153 PolarHBondContact O-N 3.41Å; N153-S156 PolarHBondContact O-N 3.42Å; N153-S157 PolarHBondContact O-N 2.83Å
154	T	50.4	Low	52.4	Low	82 Å²	82	99.8 Å²	99.8	50%	0.503	52%	0.523	S	S	.	.	H	α-helix	trans	-64.7	-42.4	176.2	-51.3	0	0	0	0	111.2	Q150 L151 S156 S157 N158	Q150-T154 PolarHBondContact O-N 2.9Å; Q150-T154 PolarHBondContact O-OG1 3.35Å; L151-T154 PolarHBondContact O-N 3.08Å; T154-S156 PolarHBondContact O-N 3.28Å; T154-S157 PolarHBondContact O-N 3.09Å; T154-N158 VanDerWaalsContact O-CG 3.25Å; T154-N158 PolarHBondContact O-N 2.98Å; T154-N158 VanDerWaalsContact O-N 3.12Å; T154-N158 PolarHBondContact O-OD1 3.26Å
155	L	50.1	Low	52.5	Low	122 Å²	122	104.1 Å²	104.1	64%	0.639	54%	0.536	S	S	*	.	H	α-helix	trans	-64.6	-40.8	177.2	-146.5	78.2	0	0	0	111.6	L151 K152 N158 V159	L151-L155 WeakPolarHBondContact O-CB 3.44Å; L151-L155 PolarHBondContact O-N 3.03Å; K152-L155 PolarHBondContact O-N 3.13Å; L155-N158 PolarHBondContact O-N 3.43Å; L155-V159 WeakPolarHBondContact O-CB 2.93Å; L155-V159 VanDerWaalsContact O-CG2 3.29Å; L155-V159 WeakPolarHBondContact O-CG2 3.48Å; L155-V159 PolarHBondContact O-N 3.2Å
156	S	59.8	Low	51.2	Low	68 Å²	68	103.3 Å²	103.3	48%	0.476	54%	0.541	S	S	.	.	H	α-helix	trans	-63.7	-43.1	177.1	-161.2	0	0	0	0	112.1	K152 N153 T154 N158 V159 E160	K152-S156 WeakPolarHBondContact O-CB 3.39Å; K152-S156 PolarHBondContact O-N 2.93Å; N153-S156 PolarHBondContact O-N 3.42Å; T154-S156 PolarHBondContact O-N 3.28Å; S156-N158 VanDerWaalsContact C-N 3.33Å; S156-N158 PolarHBondContact O-N 2.95Å; S156-V159 PolarHBondContact O-N 2.79Å; S156-E160 PolarHBondContact O-N 2.99Å
157	S	50.7	Low	49.8	Very low	70 Å²	70	106.2 Å²	106.2	49%	0.49	55%	0.553	S	S	.	*	H	α-helix	trans	-60.7	-43.1	176.5	-166.3	0	0	0	0	111.7	N153 T154 V159 E160 E161	N153-S157 PolarHBondContact O-N 2.83Å; T154-S157 PolarHBondContact O-N 3.09Å; S157-V159 VanDerWaalsContact C-N 3.33Å; S157-E160 PolarHBondContact O-N 3.23Å; S157-E161 PolarHBondContact O-N 3.35Å; S157-E161 VanDerWaalsContact O-N 3.1Å
158	N	48.1	Very low	48.9	Very low	81 Å²	81	108 Å²	108	43%	0.433	57%	0.571	S	S	.	*	H	α-helix	trans	-71.2	-29	179.4	-64.1	9	0	0	0	112.3	T154 L155 S156 L162	T154-N158 VanDerWaalsContact O-CG 3.25Å; T154-N158 PolarHBondContact O-N 2.98Å; T154-N158 VanDerWaalsContact O-N 3.12Å; T154-N158 PolarHBondContact O-OD1 3.26Å; L155-N158 PolarHBondContact O-N 3.43Å; S156-N158 VanDerWaalsContact C-N 3.33Å; S156-N158 PolarHBondContact O-N 2.95Å; N158-L162 WeakPolarHBondContact O-CG 3.42Å; N158-L162 PolarHBondContact O-N 3.02Å
159	V	50	Low	47.8	Very low	66 Å²	66	109.6 Å²	109.6	40%	0.4	58%	0.582	S	S	.	*	H	α-helix	trans	-76.3	-37.3	175.6	169.4	0	0	0	0	111.6	L155 S156 S157 E161 L162 L163	L155-V159 WeakPolarHBondContact O-CB 2.93Å; L155-V159 VanDerWaalsContact O-CG2 3.29Å; L155-V159 WeakPolarHBondContact O-CG2 3.48Å; L155-V159 PolarHBondContact O-N 3.2Å; S156-V159 PolarHBondContact O-N 2.79Å; S157-V159 VanDerWaalsContact C-N 3.33Å; V159-E161 VanDerWaalsContact C-N 3.34Å; V159-L162 PolarHBondContact O-N 2.86Å; V159-L163 HydrophobicContact CG1-CD1 3.73Å; V159-L163 HydrophobicContact CG1-CG 4.22Å; V159-L163 WeakPolarHBondContact O-CB 3.42Å; V159-L163 VanDerWaalsContact O-CG 3.32Å; V159-L163 WeakPolarHBondContact O-CG 3.44Å; V159-L163 PolarHBondContact O-N 2.89Å
160	E	48	Very low	46.2	Very low	126 Å²	126	111 Å²	111	59%	0.589	59%	0.593	S	S	*	*	H	α-helix	trans	-64.5	-37.7	171.4	-76	-175	146	0	0	112.2	S156 S157 N164	S156-E160 PolarHBondContact O-N 2.99Å; S157-E160 PolarHBondContact O-N 3.23Å; E160-N164 PolarHBondContact O-N 3.38Å; E160-N164 PolarHBondContact O-ND2 2.74Å; E160-N164 VanDerWaalsContact O-ND2 3.11Å
161	E	48.6	Very low	45	Very low	136 Å²	136	112.3 Å²	112.3	64%	0.636	60%	0.604	S	S	*	*	H	α-helix	trans	-63.4	-42.8	175.4	-165.1	165.1	-148.9	0	0	111.5	S157 V159	S157-E161 PolarHBondContact O-N 3.35Å; S157-E161 VanDerWaalsContact O-N 3.1Å; V159-E161 VanDerWaalsContact C-N 3.34Å
162	L	44.1	Very low	44	Very low	117 Å²	117	114.2 Å²	114.2	61%	0.613	62%	0.615	S	S	*	*	H	α-helix	trans	-72.7	-35.3	176.8	-70.8	170.4	0	0	0	114.1	N158 V159 N164 E165	N158-L162 WeakPolarHBondContact O-CG 3.42Å; N158-L162 PolarHBondContact O-N 3.02Å; V159-L162 PolarHBondContact O-N 2.86Å; L162-N164 VanDerWaalsContact C-N 3.32Å; L162-N164 PolarHBondContact O-N 3.46Å; L162-E165 PolarHBondContact O-N 3.05Å
163	L	43.7	Very low	42.5	Very low	91 Å²	91	117.9 Å²	117.9	48%	0.476	63%	0.631	S	S	.	*	H	α-helix	trans	-71.3	-26.7	-180	-77.8	172	0	0	0	112.9	V159 E165 T166 F613	V159-L163 HydrophobicContact CG1-CD1 3.73Å; V159-L163 HydrophobicContact CG1-CG 4.22Å; V159-L163 WeakPolarHBondContact O-CB 3.42Å; V159-L163 VanDerWaalsContact O-CG 3.32Å; V159-L163 WeakPolarHBondContact O-CG 3.44Å; V159-L163 PolarHBondContact O-N 2.89Å; L163-E165 PolarHBondContact O-N 2.92Å; L163-T166 PolarHBondContact O-N 3.38Å; L163-F613 HydrophobicContact CD2-CZ 4.15Å
164	N	46.4	Very low	40.7	Very low	141 Å²	141	117.9 Å²	117.9	75%	0.754	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	-14.4	175.3	-78.4	-35.6	0	0	0	113.6	E160 L162	E160-N164 PolarHBondContact O-N 3.38Å; E160-N164 PolarHBondContact O-ND2 2.74Å; E160-N164 VanDerWaalsContact O-ND2 3.11Å; L162-N164 VanDerWaalsContact C-N 3.32Å; L162-N164 PolarHBondContact O-N 3.46Å
165	E	43.2	Very low	39.8	Very low	161 Å²	161	120 Å²	120	75%	0.752	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-13.2	179.7	-61.6	-164.3	145.1	0	0	114.1	L162 L163	L162-E165 PolarHBondContact O-N 3.05Å; L163-E165 PolarHBondContact O-N 2.92Å
166	T	33.7	Very low	38.7	Very low	98 Å²	98	120.8 Å²	120.8	60%	0.601	66%	0.656	S	S	*	*			trans	-122.1	97.7	-175	57.9	0	0	0	0	113.2	L163	L163-T166 PolarHBondContact O-N 3.38Å
167	N	28.8	Very low	37.4	Very low	142 Å²	142	126.7 Å²	126.7	76%	0.759	67%	0.673	S	S	*	*			trans	-123.3	90.1	-172.9	-174.8	9.9	0	0	0	112.6
168	V	32.7	Very low	36.4	Very low	138 Å²	138	130.8 Å²	130.8	84%	0.836	69%	0.689	S	S	*	*			trans	-145.9	88.9	169.2	-170.3	0	0	0	0	113
169	N	31.7	Very low	35.5	Very low	125 Å²	125	134.4 Å²	134.4	67%	0.668	71%	0.709	S	S	*	*			trans	34.5	128.4	132.2	-69.6	-10	0	0	0	124.2
170	N	29.3	Very low	34.7	Very low	132 Å²	132	139.5 Å²	139.5	71%	0.706	73%	0.734	S	S	*	*			trans	94.4	104.2	132.2	-63.6	-7	0	0	0	122.5
171	N	30.2	Very low	33.8	Very low	151 Å²	151	139.1 Å²	139.1	81%	0.807	74%	0.736	S	S	*	*				26.7	133.5	122.3	-49.8	-7.5	0	0	0	120.8
172	D	29.2	Very low	32.9	Very low	145 Å²	145	140.1 Å²	140.1	78%	0.775	75%	0.745	S	S	*	*				-166.1	164.8	113.1	-138.2	-17.9	0	0	0	114.4
173	F	29.8	Very low	32.4	Very low	189 Å²	189	143.4 Å²	143.4	83%	0.829	76%	0.758	S	S	*	*			trans	78.1	131.4	168.8	-80.5	-82.3	0	0	0	123.5
174	S	27.3	Very low	31.9	Very low	95 Å²	95	148.1 Å²	148.1	66%	0.664	78%	0.778	S	S	*	*			trans	-143.4	149.1	178.2	54.3	0	0	0	0	110.7
175	V	31.2	Very low	31.3	Very low	125 Å²	125	148.2 Å²	148.2	76%	0.758	77%	0.773	S	S	*	*			trans	-147.3	129.9	166.4	-177.2	0	0	0	0	109.3	F177	V175-F177 HydrophobicContact CG1-CD2 4.27Å; V175-F177 HydrophobicContact CG1-CE2 3.92Å
176	D	26	Very low	30.8	Very low	139 Å²	139	149.1 Å²	149.1	74%	0.743	78%	0.777	S	S	*	*			trans	-102.3	153	175.8	-50.4	-68.3	0	0	0	111.1
177	F	32.1	Very low	30.8	Very low	192 Å²	192	152.9 Å²	152.9	84%	0.842	79%	0.788	S	S	*	*			trans	-154.4	148.6	154.8	-79.6	-62.8	0	0	0	110.8	V175	V175-F177 HydrophobicContact CG1-CD2 4.27Å; V175-F177 HydrophobicContact CG1-CE2 3.92Å
178	D	30.7	Very low	31	Very low	156 Å²	156	154.7 Å²	154.7	83%	0.834	79%	0.792	S	S	*	*			trans	-87.2	167.7	-158.1	-49.1	-92.7	0	0	0	116.6
179	D	28.9	Very low	30.9	Very low	157 Å²	157	153.1 Å²	153.1	84%	0.84	78%	0.779	S	S	*	*			trans	-80.9	154.7	175.1	-57.4	-65.6	0	0	0	113.3
180	D	33.3	Very low	31	Very low	173 Å²	173	154.5 Å²	154.5	93%	0.925	79%	0.787	S	S	*	*			trans	-153	139.1	153.9	-98.4	-38.9	0	0	0	109.3
181	D	29.7	Very low	31.5	Very low	119 Å²	119	153.4 Å²	153.4	64%	0.636	78%	0.781	S	S	*	*			trans	-91.1	167.1	-170.8	-74	-60.9	0	0	0	114.8
182	D	28.5	Very low	32.2	Very low	156 Å²	156	148.1 Å²	148.1	83%	0.834	75%	0.752	S	S	*	*			trans	130.2	108.5	150.4	-78.1	-23.1	0	0	0	114.1
183	E	34.2	Very low	33	Very low	186 Å²	186	148 Å²	148	87%	0.869	75%	0.747	S	S	*	*			trans	-161.4	154	146.6	-118.5	166.9	-153.2	0	0	112.3
184	Q	33	Very low	33.3	Very low	191 Å²	191	141.7 Å²	141.7	89%	0.893	73%	0.726	S	S	*	*			trans	-92.1	132.3	-166.4	-64	167.3	-3.6	0	0	112
185	E	33.4	Very low	33.7	Very low	143 Å²	143	146.7 Å²	146.7	67%	0.668	74%	0.739	S	S	*	*			trans	-88.3	114.5	174	-67	-171.6	154.2	0	0	111.6
186	E	33.5	Very low	33.8	Very low	179 Å²	179	146.3 Å²	146.3	84%	0.836	73%	0.732	S	S	*	*			trans	-88.3	118.4	162.9	-66.9	-170.3	156	0	0	109.6	E188	E186-E188 PolarHBondContact O-N 3.38Å; E186-E188 VanDerWaalsContact O-N 3.1Å
187	E	33.2	Very low	34	Very low	178 Å²	178	141.9 Å²	141.9	83%	0.832	72%	0.719	S	S	*	*			trans	-76.9	90.4	-179.6	-70	-172.8	146.4	0	0	112.5	D189	E187-D189 PolarHBondContact O-N 2.79Å; E187-D189 VanDerWaalsContact O-N 3.12Å
188	E	33.2	Very low	34	Very low	179 Å²	179	138.7 Å²	138.7	84%	0.836	72%	0.715	S	S	*	*			trans	-76.3	91.3	167.9	-71.9	-162.9	149.2	0	0	112.1	E186 D190	E186-E188 PolarHBondContact O-N 3.38Å; E186-E188 VanDerWaalsContact O-N 3.1Å; E188-D190 VanDerWaalsContact C-N 3.31Å; E188-D190 PolarHBondContact O-N 3.38Å
189	D	31	Very low	34.1	Very low	105 Å²	105	133.8 Å²	133.8	56%	0.561	69%	0.689	S	S	*	*			trans	-80.1	55.5	-169.6	-142	12.1	0	0	0	113.9	E187 K745	E187-D189 PolarHBondContact O-N 2.79Å; E187-D189 VanDerWaalsContact O-N 3.12Å; D189-K745 WeakPolarHBondContact OD2-CD 3.4Å; D189-K745 WeakPolarHBondContact OD2-CE 3.47Å; D189-K745 IonicContact OD2-NZ 3.03Å; D189-K745 PolarHBondContact OD2-NZ 2.83Å
190	D	33.3	Very low	34.3	Very low	155 Å²	155	132 Å²	132	83%	0.829	68%	0.676	S	S	*	*			trans	-102.5	38.3	-167.4	-129.1	8.3	0	0	0	115.4	E188 D192	E188-D190 VanDerWaalsContact C-N 3.31Å; E188-D190 PolarHBondContact O-N 3.38Å; D190-D192 PolarHBondContact O-N 3.5Å
191	D	40.5	Very low	34.2	Very low	108 Å²	108	127.5 Å²	127.5	58%	0.578	65%	0.654	S	S	*	*			trans	-101.8	75.4	-174.8	-130	-10.8	0	0	0	113.4	Q193	D191-Q193 PolarHBondContact O-N 3.28Å; D191-Q193 WeakPolarHBondContact OD1-CG 3.39Å; D191-Q193 PolarHBondContact OD1-NE2 3.42Å; D191-Q193 PolarHBondContact OD2-NE2 2.76Å
192	D	43.9	Very low	34.3	Very low	40 Å²	40	126.1 Å²	126.1	21%	0.214	65%	0.646	C	S	.	*			trans	-73.2	37.6	179.4	-124.6	-8.3	0	0	0	113.1	D190 C194 V750 R753 F761	D190-D192 PolarHBondContact O-N 3.5Å; D192-C194 PolarHBondContact O-N 3.16Å; D192-V750 WeakPolarHBondContact OD1-CG2 3.44Å; D192-R753 IonicContact OD1-NH1 3.5Å; D192-R753 IonicContact OD2-CZ 2.89Å; D192-R753 IonicContact OD2-NH1 3.75Å; D192-R753 PolarHBondContact OD2-NH1 3.28Å; D192-R753 IonicContact OD2-NH2 2.65Å; D192-R753 PolarHBondContact OD2-NH2 3.08Å; D192-F761 WeakPolarHBondContact OD2-CE2 3.28Å; D192-F761 VanDerWaalsContact OD2-CZ 3.28Å; D192-F761 WeakPolarHBondContact OD2-CZ 3.35Å
193	Q	46.6	Very low	34.6	Very low	144 Å²	144	121.4 Å²	121.4	67%	0.673	62%	0.621	S	S	*	*			trans	-81.3	104.6	-172	-75.4	-167.9	49.4	0	0	114.1	D191	D191-Q193 PolarHBondContact O-N 3.28Å; D191-Q193 WeakPolarHBondContact OD1-CG 3.39Å; D191-Q193 PolarHBondContact OD1-NE2 3.42Å; D191-Q193 PolarHBondContact OD2-NE2 2.76Å
194	C	35.3	Very low	34.9	Very low	56 Å²	56	118 Å²	118	38%	0.378	60%	0.603	S	S	.	*			trans	-79.7	129.9	167.1	-59.1	0	0	0	0	111.3	D192 N196 C774	D192-C194 PolarHBondContact O-N 3.16Å; C194-N196 PolarHBondContact O-N 3.36Å; C194-C774 HydrophobicContact CB-CB 4.13Å
195	E	36.4	Very low	34.8	Very low	200 Å²	200	111 Å²	111	94%	0.935	57%	0.571	S	S	*	*	S	Bend	trans	-46.4	97.7	-174.8	-70.3	-173.1	123.2	0	0	115.4
196	N	33.4	Very low	35	Very low	116 Å²	116	107.2 Å²	107.2	62%	0.62	56%	0.555	S	S	*	*			trans	-144.4	14.6	161	-84.6	-58.2	0	0	0	112.5	C194 V198 L199	C194-N196 PolarHBondContact O-N 3.36Å; N196-V198 PolarHBondContact O-N 3Å; N196-L199 PolarHBondContact O-N 3.36Å
197	G	30.3	Very low	35.2	Very low	46 Å²	46	102 Å²	102	47%	0.474	54%	0.539	S	S	.	.	H	α-helix	trans	-60.4	-13.5	-165.7	0	0	0	0	0	117.3	L199 T201	G197-L199 VanDerWaalsContact C-N 3.3Å; G197-L199 PolarHBondContact O-N 3.02Å; G197-T201 PolarHBondContact O-OG1 3.04Å
198	V	31.7	Very low	35.3	Very low	125 Å²	125	97.8 Å²	97.8	76%	0.758	52%	0.519	S	S	*	.	H	α-helix	trans	-76.2	-18.5	176.1	-174.7	0	0	0	0	112.4	N196	N196-V198 PolarHBondContact O-N 3Å
199	L	33.9	Very low	35.4	Very low	54 Å²	54	96.3 Å²	96.3	28%	0.283	51%	0.51	S	S	.	.	H	α-helix	trans	-96.6	-38.3	-178.9	-74.7	157	0	0	0	113.2	N196 G197 T201 I202 D203 L802	N196-L199 PolarHBondContact O-N 3.36Å; G197-L199 VanDerWaalsContact C-N 3.3Å; G197-L199 PolarHBondContact O-N 3.02Å; L199-T201 PolarHBondContact O-N 3.24Å; L199-I202 PolarHBondContact O-N 3.15Å; L199-D203 PolarHBondContact O-N 2.77Å; L199-L802 HydrophobicContact CD1-CD2 3.38Å; L199-L802 HydrophobicContact CD2-CB 4.01Å; L199-L802 HydrophobicContact CD2-CD1 3.77Å; L199-L802 HydrophobicContact CD2-CD2 3.42Å; L199-L802 VanDerWaalsContact CD2-CD2 3.42Å; L199-L802 HydrophobicContact CD2-CG 3.89Å; L199-L802 HydrophobicContact CG-CD2 4.01Å
200	H	31.5	Very low	35.7	Very low	120 Å²	120	96 Å²	96	56%	0.556	51%	0.512	S	S	*	.	H	α-helix	trans	-63.8	-29.5	-177	-153.7	-68.6	0	0	0	113	K204	H200-K204 WeakPolarHBondContact O-CB 3.42Å; H200-K204 PolarHBondContact O-N 2.95Å; H200-K204 VanDerWaalsContact O-N 3.15Å
201	T	31.8	Very low	35.7	Very low	78 Å²	78	95 Å²	95	48%	0.479	51%	0.506	S	S	.	.	H	α-helix	trans	-73.2	-28.1	175	-40	0	0	0	0	112.3	G197 L199 L205	G197-T201 PolarHBondContact O-OG1 3.04Å; L199-T201 PolarHBondContact O-N 3.24Å; T201-L205 HydrophobicContact CG2-CD1 4.46Å; T201-L205 WeakPolarHBondContact O-CB 3.5Å; T201-L205 WeakPolarHBondContact O-CD1 3.37Å; T201-L205 WeakPolarHBondContact O-CG 3.3Å; T201-L205 PolarHBondContact O-N 3.11Å
202	I	32.8	Very low	35.4	Very low	90 Å²	90	96.2 Å²	96.2	46%	0.462	51%	0.513	S	S	.	.	H	α-helix	trans	-80.7	-46.8	178.3	-62.4	176.4	0	0	0	109.6	L199 K204 L205 L206	L199-I202 PolarHBondContact O-N 3.15Å; I202-K204 VanDerWaalsContact C-N 3.33Å; I202-K204 PolarHBondContact O-N 3.26Å; I202-L205 CarbonylContact O-C 3.55Å; I202-L205 PolarHBondContact O-N 3.1Å; I202-L206 HydrophobicContact CG2-CD1 3.74Å; I202-L206 HydrophobicContact CG2-CG 4.29Å; I202-L206 WeakPolarHBondContact O-CG 3.35Å; I202-L206 PolarHBondContact O-N 2.87Å
203	D	34.4	Very low	34.7	Very low	56 Å²	56	103 Å²	103	30%	0.299	54%	0.541	S	S	.	.	H	α-helix	trans	-59	-41.9	176.1	-72	-4.8	0	0	0	111.6	L199 L205 L206 S207	L199-D203 PolarHBondContact O-N 2.77Å; D203-L205 VanDerWaalsContact C-N 3.3Å; D203-L205 PolarHBondContact O-N 3.03Å; D203-L206 PolarHBondContact O-N 3.27Å; D203-S207 WeakPolarHBondContact O-CB 3.44Å; D203-S207 PolarHBondContact O-N 3.26Å; D203-S207 PolarHBondContact O-OG 3.5Å
204	K	38.9	Very low	33.7	Very low	116 Å²	116	103.7 Å²	103.7	50%	0.504	55%	0.549	S	S	.	.	H	α-helix	trans	-63.5	-35.7	175.5	-174	166.7	-179.7	175.5	0	112	H200 I202 E208	H200-K204 WeakPolarHBondContact O-CB 3.42Å; H200-K204 PolarHBondContact O-N 2.95Å; H200-K204 VanDerWaalsContact O-N 3.15Å; I202-K204 VanDerWaalsContact C-N 3.33Å; I202-K204 PolarHBondContact O-N 3.26Å; K204-E208 WeakPolarHBondContact CE-OE1 3.38Å; K204-E208 VanDerWaalsContact CG-OE1 3.3Å; K204-E208 WeakPolarHBondContact CG-OE1 3.47Å; K204-E208 VanDerWaalsContact O-CB 3.3Å; K204-E208 WeakPolarHBondContact O-CB 3.23Å; K204-E208 WeakPolarHBondContact O-CG 3.38Å; K204-E208 PolarHBondContact O-N 3.21Å; K204-E208 VanDerWaalsContact O-N 3.1Å
205	L	32.9	Very low	33.3	Very low	42 Å²	42	106 Å²	106	22%	0.22	57%	0.565	C	S	.	*	H	α-helix	trans	-82.3	-18	179.9	-73.7	-176.8	0	0	0	115.3	T201 I202 D203 E208 Y694	T201-L205 HydrophobicContact CG2-CD1 4.46Å; T201-L205 WeakPolarHBondContact O-CB 3.5Å; T201-L205 WeakPolarHBondContact O-CD1 3.37Å; T201-L205 WeakPolarHBondContact O-CG 3.3Å; T201-L205 PolarHBondContact O-N 3.11Å; I202-L205 CarbonylContact O-C 3.55Å; I202-L205 PolarHBondContact O-N 3.1Å; D203-L205 VanDerWaalsContact C-N 3.3Å; D203-L205 PolarHBondContact O-N 3.03Å; L205-E208 WeakPolarHBondContact CD2-OE2 3.44Å; L205-Y694 WeakPolarHBondContact CD2-OH 2.99Å
206	L	36.4	Very low	32.7	Very low	64 Å²	64	104.2 Å²	104.2	34%	0.335	56%	0.562	S	S	.	*	H	α-helix	trans	-86.9	-42.1	171.3	-68	172.7	0	0	0	110.6	I202 D203 E208 K209 V210 E801	I202-L206 HydrophobicContact CG2-CD1 3.74Å; I202-L206 HydrophobicContact CG2-CG 4.29Å; I202-L206 WeakPolarHBondContact O-CG 3.35Å; I202-L206 PolarHBondContact O-N 2.87Å; D203-L206 PolarHBondContact O-N 3.27Å; L206-E208 VanDerWaalsContact C-N 3.34Å; L206-E208 PolarHBondContact O-N 3.4Å; L206-K209 CarbonylContact O-C 3.59Å; L206-K209 PolarHBondContact O-N 2.98Å; L206-V210 WeakPolarHBondContact O-CG2 3.21Å; L206-V210 PolarHBondContact O-N 3.23Å; L206-E801 WeakPolarHBondContact CD1-OE2 3.47Å
207	S	36.9	Very low	32.3	Very low	70 Å²	70	104.6 Å²	104.6	49%	0.49	57%	0.569	S	S	.	*	H	α-helix	trans	-61.4	-37.8	172	-67.1	0	0	0	0	113	D203 K209 N211	D203-S207 WeakPolarHBondContact O-CB 3.44Å; D203-S207 PolarHBondContact O-N 3.26Å; D203-S207 PolarHBondContact O-OG 3.5Å; S207-K209 PolarHBondContact O-N 2.81Å; S207-N211 PolarHBondContact O-N 2.88Å; S207-N211 PolarHBondContact O-ND2 3.47Å
208	E	36.4	Very low	31.8	Very low	90 Å²	90	109.2 Å²	109.2	42%	0.421	59%	0.588	S	S	.	*	H	α-helix	trans	-67.5	-14.3	173.2	-76.1	166.1	-173.7	0	0	113.3	K204 L205 L206 K693	K204-E208 WeakPolarHBondContact CE-OE1 3.38Å; K204-E208 VanDerWaalsContact CG-OE1 3.3Å; K204-E208 WeakPolarHBondContact CG-OE1 3.47Å; K204-E208 VanDerWaalsContact O-CB 3.3Å; K204-E208 WeakPolarHBondContact O-CB 3.23Å; K204-E208 WeakPolarHBondContact O-CG 3.38Å; K204-E208 PolarHBondContact O-N 3.21Å; K204-E208 VanDerWaalsContact O-N 3.1Å; L205-E208 WeakPolarHBondContact CD2-OE2 3.44Å; L206-E208 VanDerWaalsContact C-N 3.34Å; L206-E208 PolarHBondContact O-N 3.4Å; E208-K693 IonicContact OE2-NZ 2.63Å; E208-K693 PolarHBondContact OE2-NZ 2.81Å
209	K	35.5	Very low	31.4	Very low	148 Å²	148	109.6 Å²	109.6	64%	0.643	59%	0.585	S	S	*	*	H	α-helix	trans	-106.9	-25.1	178	-80.1	-169.7	172.1	-169.8	0	115.2	L206 S207	L206-K209 CarbonylContact O-C 3.59Å; L206-K209 PolarHBondContact O-N 2.98Å; S207-K209 PolarHBondContact O-N 2.81Å
210	V	36.2	Very low	30.6	Very low	99 Å²	99	113.4 Å²	113.4	60%	0.6	61%	0.611	S	S	*	*	H	α-helix	trans	-78	-32.9	176.6	173	0	0	0	0	111.2	L206 N212 F213	L206-V210 WeakPolarHBondContact O-CG2 3.21Å; L206-V210 PolarHBondContact O-N 3.23Å; V210-N212 PolarHBondContact O-N 3.36Å; V210-F213 PolarHBondContact O-N 3.03Å
211	N	34.4	Very low	30.3	Very low	132 Å²	132	114.6 Å²	114.6	71%	0.706	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	12.7	-179.4	-65.4	-7	0	0	0	115	S207	S207-N211 PolarHBondContact O-N 2.88Å; S207-N211 PolarHBondContact O-ND2 3.47Å
212	N	33.1	Very low	29.7	Very low	135 Å²	135	116.5 Å²	116.5	72%	0.722	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120	18.1	178.1	-94.8	-33.9	0	0	0	112.8	V210	V210-N212 PolarHBondContact O-N 3.36Å
213	F	29.3	Very low	29.5	Very low	183 Å²	183	119.8 Å²	119.8	80%	0.803	65%	0.65	S	S	*	*	S	Bend	trans	-124.3	16.7	179.3	-100.1	-78.5	0	0	0	114.8	V210	V210-F213 PolarHBondContact O-N 3.03Å
214	D	25.5	Very low	29	Very low	157 Å²	157	123.5 Å²	123.5	84%	0.84	67%	0.67	S	S	*	*			trans	-114.2	78.4	170.3	-78.7	-44.1	0	0	0	110.9
215	S	28.2	Very low	28.7	Very low	104 Å²	104	126 Å²	126	73%	0.727	69%	0.688	S	S	*	*	S	Bend	trans	-163.5	115.2	154.4	25.6	0	0	0	0	111.2
216	D	24.1	Very low	28.4	Very low	163 Å²	163	130.6 Å²	130.6	87%	0.872	71%	0.713	S	S	*	*			trans	32.3	92.6	159.5	-61.2	-29.2	0	0	0	118.7
217	T	24.2	Very low	28.1	Very low	125 Å²	125	137.2 Å²	137.2	77%	0.767	74%	0.74	S	S	*	*			trans	-141.8	90.3	148	-28.5	0	0	0	0	111.2	I219	T217-I219 HydrophobicContact CG2-CD1 4.46Å; T217-I219 HydrophobicContact CG2-CG1 4.36Å; T217-I219 PolarHBondContact O-N 3.33Å
218	T	19.4	Very low	27.6	Very low	142 Å²	142	138.7 Å²	138.7	87%	0.871	75%	0.75	S	S	*	*			trans	-70.8	112.9	169.3	33.6	0	0	0	0	110.2
219	I	22.7	Very low	27.2	Very low	133 Å²	133	142.5 Å²	142.5	68%	0.682	77%	0.771	S	S	*	*			trans	-122.7	104.4	166.4	-59.5	-178.5	0	0	0	108.6	T217 I221	T217-I219 HydrophobicContact CG2-CD1 4.46Å; T217-I219 HydrophobicContact CG2-CG1 4.36Å; T217-I219 PolarHBondContact O-N 3.33Å; I219-I221 HydrophobicContact CG2-CD1 4.44Å; I219-I221 HydrophobicContact CG2-CG1 4.19Å
220	T	19.1	Very low	26.9	Very low	135 Å²	135	140.5 Å²	140.5	83%	0.828	78%	0.776	S	S	*	*			trans	-78.3	122.1	170.4	35.9	0	0	0	0	110.2
221	I	24.1	Very low	26.4	Very low	144 Å²	144	141.8 Å²	141.8	74%	0.738	79%	0.786	S	S	*	*			trans	-129.2	114.1	160.6	-57.8	-179	0	0	0	107.8	I219	I219-I221 HydrophobicContact CG2-CD1 4.44Å; I219-I221 HydrophobicContact CG2-CG1 4.19Å
222	T	20.2	Very low	26.2	Very low	119 Å²	119	143.8 Å²	143.8	73%	0.73	80%	0.795	S	S	*	*			trans	-75.6	144	175.1	45.6	0	0	0	0	110.8
223	N	28.6	Very low	25.9	Very low	159 Å²	159	142.8 Å²	142.8	85%	0.85	79%	0.79	S	S	*	*			trans	-143.8	121.4	150.1	-94.1	-39.2	0	0	0	108.7
224	N	22.4	Very low	26	Very low	134 Å²	134	141.4 Å²	141.4	72%	0.717	79%	0.791	S	S	*	*			trans	-72.5	142.5	174.9	-68.2	-46.9	0	0	0	109.7
225	D	32.6	Very low	26.2	Very low	167 Å²	167	139.5 Å²	139.5	89%	0.893	78%	0.781	S	S	*	*				-159.8	137.9	121.9	-102.9	-29.7	0	0	0	112
226	N	26.9	Very low	26.4	Very low	140 Å²	140	142.4 Å²	142.4	75%	0.749	79%	0.788	S	S	*	*			trans	-95.1	136.6	-164	-72.6	-66.4	0	0	0	113.4
227	K	30.7	Very low	26.7	Very low	203 Å²	203	141.1 Å²	141.1	88%	0.883	78%	0.781	S	S	*	*			trans	-158.4	95.6	133.6	-117	167.6	-174.9	174.4	0	114.6
228	S	26.2	Very low	27	Very low	100 Å²	100	141.7 Å²	141.7	70%	0.699	78%	0.78	S	S	*	*			trans	-17	137.7	154.6	54.7	0	0	0	0	118.7
229	I	28.1	Very low	27.5	Very low	170 Å²	170	140.3 Å²	140.3	87%	0.872	77%	0.771	S	S	*	*				-151.9	142.5	110.4	-93.6	148.9	0	0	0	109.3
230	S	28	Very low	27.9	Very low	107 Å²	107	141.4 Å²	141.4	75%	0.748	78%	0.778	S	S	*	*			trans	-59.5	154.7	-159.5	39.5	0	0	0	0	120.5
231	P	27.6	Very low	28.2	Very low	125 Å²	125	139.8 Å²	139.8	81%	0.812	77%	0.772	S	S	*	*			trans	-98.1	171.5	176.8	40.3	-36.1	0	0	0	114.5
232	I	29.1	Very low	28.4	Very low	175 Å²	175	138.6 Å²	138.6	90%	0.897	77%	0.772	S	S	*	*			trans	-116.4	126.9	163.1	-66.7	-179	0	0	0	111
233	N	27.8	Very low	28.7	Very low	114 Å²	114	138.3 Å²	138.3	61%	0.61	77%	0.77	S	S	*	*			trans	-65.5	142.5	-179	178.5	31.5	0	0	0	114.2	N235	N233-N235 PolarHBondContact OD1-N 3.2Å
234	N	31	Very low	28.7	Very low	154 Å²	154	138.2 Å²	138.2	82%	0.824	77%	0.77	S	S	*	*				-159.7	111.5	118.4	-120.9	1.8	0	0	0	113.2
235	N	29.1	Very low	28.9	Very low	117 Å²	117	138.2 Å²	138.2	63%	0.626	78%	0.775	S	S	*	*			trans	-68.5	154.7	165.4	-67.6	-33	0	0	0	111.5	N233	N233-N235 PolarHBondContact OD1-N 3.2Å
236	N	33.5	Very low	28.9	Very low	164 Å²	164	136 Å²	136	88%	0.877	77%	0.77	S	S	*	*				-165.7	134.9	106.5	-95.1	-17.8	0	0	0	112.8
237	N	29.2	Very low	28.7	Very low	136 Å²	136	135.4 Å²	135.4	73%	0.727	77%	0.771	S	S	*	*			trans	-86.6	158.6	-179.8	-63.4	-30.9	0	0	0	111.9
238	N	31.6	Very low	28.5	Very low	138 Å²	138	133.1 Å²	133.1	74%	0.738	77%	0.767	S	S	*	*			trans	146.1	107.5	131.8	-74.7	-5.5	0	0	0	108.5
239	T	28.2	Very low	28.6	Very low	113 Å²	113	133.9 Å²	133.9	69%	0.693	77%	0.767	S	S	*	*				49.3	95.9	78	71.1	0	0	0	0	113.1
240	N	31.2	Very low	28.7	Very low	156 Å²	156	132.8 Å²	132.8	83%	0.834	76%	0.763	S	S	*	*				-173.9	165.7	103.3	-90	-13.5	0	0	0	113.2
241	S	25.8	Very low	28.7	Very low	100 Å²	100	134 Å²	134	70%	0.699	76%	0.761	S	S	*	*			trans	-82.2	-166	-169.5	51.1	0	0	0	0	115
242	T	29.7	Very low	29	Very low	119 Å²	119	135.7 Å²	135.7	73%	0.73	76%	0.762	S	S	*	*			trans	80.2	99.9	164.5	51.8	0	0	0	0	118.5
243	T	25.3	Very low	29.1	Very low	113 Å²	113	130.7 Å²	130.7	69%	0.693	75%	0.747	S	S	*	*				29.4	117.9	120	55.5	0	0	0	0	118.5
244	D	29.7	Very low	29.4	Very low	157 Å²	157	133 Å²	133	84%	0.84	75%	0.754	S	S	*	*				176.4	140.9	107.6	-85.1	-24.7	0	0	0	112.1
245	T	25.2	Very low	29.4	Very low	134 Å²	134	130.7 Å²	130.7	82%	0.822	75%	0.745	S	S	*	*			trans	-79.4	145.2	166.3	51.1	0	0	0	0	109.9
246	P	32.4	Very low	29.7	Very low	122 Å²	122	131.6 Å²	131.6	79%	0.792	75%	0.75	S	S	*	*				-151.3	173.5	91.9	37.8	-19.1	0	0	0	116.6
247	T	24.3	Very low	29.7	Very low	126 Å²	126	129.1 Å²	129.1	77%	0.773	75%	0.745	S	S	*	*			trans	-67.6	158.2	168.4	17.9	0	0	0	0	113.6
248	I	26.4	Very low	30	Very low	156 Å²	156	127.3 Å²	127.3	80%	0.8	74%	0.744	S	S	*	*			trans	153.6	131.1	133.4	-78.6	171.1	0	0	0	112.8
249	T	26.6	Very low	30.1	Very low	115 Å²	115	126 Å²	126	71%	0.706	75%	0.745	S	S	*	*			trans	-24.6	149.5	173.8	57.5	0	0	0	0	122.5
250	N	30.9	Very low	30.3	Very low	147 Å²	147	125.2 Å²	125.2	79%	0.786	74%	0.744	S	S	*	*			trans	-169.8	153.1	136.3	-94.4	-36.5	0	0	0	109.1
251	N	28.9	Very low	30.3	Very low	133 Å²	133	122.2 Å²	122.2	71%	0.711	74%	0.736	S	S	*	*			cis	-171.9	179.7	-31.6	-136	-37.3	0	0	0	108.1
252	I	32.7	Very low	30.4	Very low	161 Å²	161	122.8 Å²	122.8	83%	0.826	74%	0.739	S	S	*	*			trans	76.3	138.2	166.5	-43	177.5	0	0	0	117.2
253	A	31.8	Very low	30.2	Very low	70 Å²	70	121.6 Å²	121.6	58%	0.579	74%	0.736	S	S	*	*			cis	-173.5	172.3	-32	0	0	0	0	0	109.8
254	H	34	Very low	30.3	Very low	163 Å²	163	121.5 Å²	121.5	76%	0.755	74%	0.74	S	S	*	*			trans	84.5	101.3	165.8	-65.9	-64.3	0	0	0	118.4
255	T	31.7	Very low	30.2	Very low	104 Å²	104	118.6 Å²	118.6	64%	0.638	73%	0.732	S	S	*	*				80.5	131.2	68.5	59.1	0	0	0	0	112.9
256	D	33.9	Very low	30.3	Very low	137 Å²	137	117.3 Å²	117.3	73%	0.733	73%	0.729	S	S	*	*			cis	-159.9	162.2	8.7	-94	-32.1	0	0	0	113.1
257	S	34.3	Very low	30.1	Very low	111 Å²	111	116.2 Å²	116.2	78%	0.776	72%	0.724	S	S	*	*			trans	60.6	148.8	145.3	65.5	0	0	0	0	121.4
258	S	35.7	Very low	30.3	Very low	99 Å²	99	115.3 Å²	115.3	69%	0.692	72%	0.723	S	S	*	*			cis	-172.7	157.4	-13	47.3	0	0	0	0	111.3
259	S	33.9	Very low	30.6	Very low	109 Å²	109	112.9 Å²	112.9	76%	0.762	72%	0.719	S	S	*	*			trans	61.1	148.5	150.9	56.3	0	0	0	0	121
260	S	32.1	Very low	30.8	Very low	98 Å²	98	112 Å²	112	69%	0.685	72%	0.718	S	S	*	*			cis	-173.4	161.7	-16.7	52.6	0	0	0	0	111.6
261	S	30.1	Very low	30.8	Very low	93 Å²	93	112.5 Å²	112.5	65%	0.65	72%	0.721	S	S	*	*			trans	59.9	113.6	141.3	64.7	0	0	0	0	120.8
262	S	27.9	Very low	30.7	Very low	111 Å²	111	112 Å²	112	78%	0.776	72%	0.723	S	S	*	*				83	149.6	100.3	72.2	0	0	0	0	115.5
263	S	27.2	Very low	30.5	Very low	95 Å²	95	111.2 Å²	111.2	66%	0.664	73%	0.725	S	S	*	*			cis	-177.5	167	-6.7	44.1	0	0	0	0	108.9
264	S	27.2	Very low	30.2	Very low	110 Å²	110	114.1 Å²	114.1	77%	0.769	74%	0.736	S	S	*	*			trans	60.8	154.9	155.8	46.9	0	0	0	0	119.4
265	S	27.2	Very low	29.7	Very low	96 Å²	96	113.4 Å²	113.4	67%	0.671	74%	0.743	S	S	*	*			cis	-174.8	162	-16.7	50.7	0	0	0	0	109.5
266	S	27.4	Very low	29.5	Very low	108 Å²	108	114.7 Å²	114.7	76%	0.755	75%	0.751	S	S	*	*			trans	58.7	153.1	150.7	52.4	0	0	0	0	120.8
267	S	27.9	Very low	29.2	Very low	99 Å²	99	114.1 Å²	114.1	69%	0.692	76%	0.758	S	S	*	*			cis	-178.1	157.9	-18.3	51.1	0	0	0	0	110
268	S	28.5	Very low	28.8	Very low	107 Å²	107	116 Å²	116	75%	0.748	76%	0.758	S	S	*	*			trans	61.9	148.4	160.9	47.9	0	0	0	0	118
269	S	32.9	Very low	28.3	Very low	104 Å²	104	121.8 Å²	121.8	73%	0.727	76%	0.764	S	S	*	*			cis	-162.1	132.4	46.2	-55.1	0	0	0	0	114.5
270	S	31.2	Very low	27.9	Very low	97 Å²	97	123.6 Å²	123.6	68%	0.678	76%	0.764	S	S	*	*			trans	26.1	135.4	133.2	63	0	0	0	0	124.2
271	N	31.1	Very low	27.6	Very low	158 Å²	158	125.4 Å²	125.4	85%	0.845	77%	0.766	S	S	*	*				-176.8	161.5	106.1	-91.2	-16.4	0	0	0	115.3
272	T	26.2	Very low	27.4	Very low	123 Å²	123	125.5 Å²	125.5	76%	0.755	77%	0.767	S	S	*	*			trans	-116.3	163.7	-165.3	51.6	0	0	0	0	113.9
273	T	27.7	Very low	27.3	Very low	143 Å²	143	127 Å²	127	88%	0.877	77%	0.766	S	S	*	*				178.2	158.5	128.2	25.4	0	0	0	0	113.8
274	T	25.5	Very low	27.4	Very low	131 Å²	131	126.6 Å²	126.6	80%	0.804	76%	0.763	S	S	*	*			trans	-136.1	156.5	-171	47.1	0	0	0	0	112.3
275	T	25.2	Very low	27.6	Very low	148 Å²	148	130.1 Å²	130.1	91%	0.908	77%	0.767	S	S	*	*			trans	-161.1	156.7	152.5	12.1	0	0	0	0	113.7
276	T	27.3	Very low	27.5	Very low	131 Å²	131	133.2 Å²	133.2	80%	0.804	78%	0.776	S	S	*	*			trans	-132.2	163.9	-165.7	43.4	0	0	0	0	113.6
277	S	26.6	Very low	27.7	Very low	125 Å²	125	132.9 Å²	132.9	87%	0.874	78%	0.78	S	S	*	*			trans	-175.6	166.6	144.5	-84.4	0	0	0	0	114.2
278	I	26.2	Very low	27.7	Very low	152 Å²	152	133.9 Å²	133.9	78%	0.779	79%	0.787	S	S	*	*			trans	-138.2	173.6	-151.8	-26.2	174.8	0	0	0	114.7
279	R	25.6	Very low	27.8	Very low	219 Å²	219	135.7 Å²	135.7	83%	0.826	79%	0.794	S	S	*	*			trans	94.9	151.9	154.4	-70.3	171.7	-176.7	-163.3	-0.5	118.1
280	I	24.6	Very low	27.4	Very low	148 Å²	148	139 Å²	139	76%	0.759	80%	0.798	S	S	*	*			cis	-150.2	155.2	4.9	-123.2	156.2	0	0	0	115.1
281	N	25.5	Very low	27.4	Very low	135 Å²	135	141.2 Å²	141.2	72%	0.722	81%	0.807	S	S	*	*			trans	-21	154.4	162.1	-154.8	25.1	0	0	0	125.2
282	S	26.7	Very low	27	Very low	96 Å²	96	143.1 Å²	143.1	67%	0.671	80%	0.804	S	S	*	*				155.4	122.9	114.7	-61.5	0	0	0	0	119.8
283	N	26.4	Very low	27.1	Very low	141 Å²	141	145.5 Å²	145.5	75%	0.754	81%	0.811	S	S	*	*			trans	66.1	116.8	135	-69	5.9	0	0	0	128.8
284	S	27.6	Very low	27.1	Very low	87 Å²	87	144.6 Å²	144.6	61%	0.608	81%	0.806	S	S	*	*				54.5	134.5	124.5	70.4	0	0	0	0	126.2
285	H	32.9	Very low	27	Very low	184 Å²	184	141.9 Å²	141.9	85%	0.852	80%	0.803	S	S	*	*				-179.4	161.5	111.7	-96.8	-63.4	0	0	0	115.6
286	N	24.4	Very low	27.2	Very low	162 Å²	162	142.2 Å²	142.2	87%	0.866	80%	0.798	S	S	*	*			trans	-87.2	161.6	-175.1	-66.5	-30.7	0	0	0	115
287	A	32.2	Very low	27.2	Very low	101 Å²	101	144 Å²	144	84%	0.835	80%	0.795	S	S	*	*			trans	-163.8	143.7	139	0	0	0	0	0	113
288	S	27.1	Very low	27.5	Very low	119 Å²	119	146.2 Å²	146.2	83%	0.832	79%	0.791	S	S	*	*			trans	-120.9	149.9	172.1	-58.7	0	0	0	0	110.5
289	T	31.1	Very low	27.5	Very low	146 Å²	146	146 Å²	146	90%	0.896	79%	0.786	S	S	*	*			trans	-155.5	131.7	166.9	7	0	0	0	0	112.5
290	Q	25.3	Very low	27.7	Very low	174 Å²	174	140.7 Å²	140.7	81%	0.813	78%	0.783	S	S	*	*			trans	-83.8	151.9	168.5	-66.8	-175.5	-6.3	0	0	111.2
291	T	29.8	Very low	27.8	Very low	142 Å²	142	140.9 Å²	140.9	87%	0.871	78%	0.784	S	S	*	*			trans	-148.7	136.7	138.2	-35.4	0	0	0	0	111.9
292	Y	22.3	Very low	28	Very low	199 Å²	199	140 Å²	140	78%	0.78	79%	0.786	S	S	*	*			trans	-54.9	148.9	165.7	-96.8	-124.5	0	0	0	113.1
293	L	30	Very low	28	Very low	172 Å²	172	143.4 Å²	143.4	90%	0.901	79%	0.791	S	S	*	*			trans	-162.8	153.1	137.3	-108.3	164.8	0	0	0	111.6
294	T	26.8	Very low	28.1	Very low	125 Å²	125	148.6 Å²	148.6	77%	0.767	80%	0.8	S	S	*	*			trans	-99.7	164.3	-154.2	39.7	0	0	0	0	115.4
295	G	24.2	Very low	28.2	Very low	73 Å²	73	153 Å²	153	75%	0.753	81%	0.808	S	S	*	*			trans	-72.7	171.7	-160	0	0	0	0	0	119.2
296	I	28.6	Very low	28.1	Very low	155 Å²	155	154.5 Å²	154.5	80%	0.795	81%	0.806	S	S	*	*			trans	-150.2	128.1	149.1	-95.2	146.9	0	0	0	106.8	Q298	I296-Q298 HydrophobicContact CG2-CG 4.25Å
297	K	27.1	Very low	28.3	Very low	170 Å²	170	155.8 Å²	155.8	74%	0.739	80%	0.804	S	S	*	*			trans	-77.4	133.8	172.6	-68	173.9	178.3	172.7	0	109.4
298	Q	34.2	Very low	28.2	Very low	171 Å²	171	161 Å²	161	80%	0.799	80%	0.804	S	S	*	*			trans	-128.8	114.1	159.4	-72.9	-163.8	-4.2	0	0	111	I296	I296-Q298 HydrophobicContact CG2-CG 4.25Å
299	H	25	Very low	28.3	Very low	146 Å²	146	161.4 Å²	161.4	68%	0.676	80%	0.801	S	S	*	*			trans	-72.3	127.1	166	-78.7	-93.1	0	0	0	109.5	I489	H299-I489 VanDerWaalsContact NE2-CD1 3.33Å; H299-I489 WeakPolarHBondContact NE2-CD1 3.44Å
300	S	31	Very low	28.3	Very low	109 Å²	109	159.3 Å²	159.3	76%	0.762	79%	0.792	S	S	*	*			trans	-124.4	108.7	167.7	-78.3	0	0	0	0	110	P302	S300-P302 WeakPolarHBondContact O-CD 3.23Å
301	I	25.2	Very low	28.4	Very low	151 Å²	151	155.9 Å²	155.9	77%	0.774	79%	0.786	S	S	*	*			trans	-81.8	119.7	178.6	-60.3	165.6	0	0	0	108.3	H303	I301-H303 PolarHBondContact O-N 3.45Å
302	P	29.4	Very low	28.4	Very low	117 Å²	117	154.6 Å²	154.6	76%	0.76	78%	0.782	S	S	*	*			trans	-80.7	109.7	176.2	30.1	-31.1	0	0	0	110.8	S300 R304	S300-P302 WeakPolarHBondContact O-CD 3.23Å; P302-R304 PolarHBondContact O-N 3.25Å
303	H	27.4	Very low	28.7	Very low	168 Å²	168	152.6 Å²	152.6	78%	0.778	78%	0.783	S	S	*	*			trans	-59.3	107.6	169.5	-89.5	-82.5	0	0	0	111.1	I301 K305	I301-H303 PolarHBondContact O-N 3.45Å; H303-K305 PolarHBondContact O-N 3.47Å
304	R	28	Very low	28.6	Very low	249 Å²	249	147.2 Å²	147.2	94%	0.94	77%	0.769	S	S	*	*			trans	-76.8	65.1	174.2	-147.5	177.9	-165.8	-174	5.1	111.4	P302 R306	P302-R304 PolarHBondContact O-N 3.25Å; R304-R306 PolarHBondContact O-N 3.27Å; R304-R306 VanDerWaalsContact O-N 3.17Å
305	K	30.3	Very low	28.7	Very low	180 Å²	180	150.1 Å²	150.1	78%	0.783	77%	0.774	S	S	*	*			trans	-69.1	106.6	170.2	-79.1	-174.4	176.5	178.3	0	109.3	H303 K307	H303-K305 PolarHBondContact O-N 3.47Å; K305-K307 PolarHBondContact O-N 3.01Å; K305-K307 VanDerWaalsContact O-N 3.09Å
306	R	30.2	Very low	28.9	Very low	215 Å²	215	151.2 Å²	151.2	81%	0.811	77%	0.77	S	S	*	*			trans	-58.2	111.1	167.2	-75.5	179.6	170.6	149.9	-1.9	108.8	R304 Y308	R304-R306 PolarHBondContact O-N 3.27Å; R304-R306 VanDerWaalsContact O-N 3.17Å; R306-Y308 PolarHBondContact O-N 3.22Å
307	K	29.7	Very low	28.7	Very low	189 Å²	189	150 Å²	150	82%	0.822	77%	0.77	S	S	*	*			trans	-80.8	109.7	162.5	-77.6	-175.7	176.6	-179.9	0	107.6	K305	K305-K307 PolarHBondContact O-N 3.01Å; K305-K307 VanDerWaalsContact O-N 3.09Å
308	Y	30	Very low	28.8	Very low	212 Å²	212	148.8 Å²	148.8	83%	0.831	78%	0.777	S	S	*	*			trans	-67.4	126.9	152.3	-70.3	-83.2	0	0	0	107.1	R306	R306-Y308 PolarHBondContact O-N 3.22Å
309	V	28.7	Very low	28.4	Very low	127 Å²	127	146.3 Å²	146.3	77%	0.77	77%	0.773	S	S	*	*			trans	-99.7	90.3	170.9	178.5	0	0	0	0	106.5	C311	V309-C311 PolarHBondContact O-N 3.22Å
310	S	30.5	Very low	28.4	Very low	101 Å²	101	145.1 Å²	145.1	71%	0.706	78%	0.78	S	S	*	*			trans	-73.1	108.9	165.5	52.7	0	0	0	0	108.1	C312	S310-C312 PolarHBondContact O-N 3.14Å
311	C	27.5	Very low	28.2	Very low	103 Å²	103	146.4 Å²	146.4	70%	0.696	78%	0.778	S	S	*	*			trans	-82.7	90.7	175.7	-164.5	0	0	0	0	109.3	V309 I313	V309-C311 PolarHBondContact O-N 3.22Å; C311-I313 PolarHBondContact O-N 2.85Å
312	C	29.6	Very low	28.5	Very low	115 Å²	115	148.1 Å²	148.1	78%	0.777	78%	0.78	S	S	*	*			trans	-80.2	104.6	167.5	-61.8	0	0	0	0	108.7	S310	S310-C312 PolarHBondContact O-N 3.14Å
313	I	28.8	Very low	28.3	Very low	157 Å²	157	149.2 Å²	149.2	81%	0.805	78%	0.779	S	S	*	*			trans	-92.2	135.5	168.2	-61.1	175.1	0	0	0	107.4	C311	C311-I313 PolarHBondContact O-N 2.85Å
314	G	28.3	Very low	28.4	Very low	59 Å²	59	147.7 Å²	147.7	61%	0.608	78%	0.776	S	S	*	*			trans	97.2	138.6	-177.1	0	0	0	0	0	113
315	E	28.3	Very low	28.4	Very low	186 Å²	186	143.1 Å²	143.1	87%	0.869	77%	0.771	S	S	*	*			cis	-164	173.3	0.4	-138.9	174.2	-140.4	0	0	111.2
316	S	28.5	Very low	28.2	Very low	96 Å²	96	141.9 Å²	141.9	67%	0.671	77%	0.771	S	S	*	*			trans	73.1	115.5	157.2	68.4	0	0	0	0	121.6
317	T	25.2	Very low	28	Very low	129 Å²	129	137.5 Å²	137.5	79%	0.791	77%	0.769	S	S	*	*			trans	58.8	95	138.7	60.8	0	0	0	0	120.6
318	V	29.2	Very low	27.9	Very low	145 Å²	145	134.7 Å²	134.7	88%	0.879	77%	0.767	S	S	*	*			trans	-129.7	125.4	140	-179.9	0	0	0	0	109.1	C320	V318-C320 PolarHBondContact O-N 2.89Å
319	T	26	Very low	27.5	Very low	119 Å²	119	129.8 Å²	129.8	73%	0.73	76%	0.763	S	S	*	*			trans	-70.9	117.9	-176	46.8	0	0	0	0	112.7	N321	T319-N321 PolarHBondContact O-N 3.15Å
320	C	25.6	Very low	27.4	Very low	121 Å²	121	128 Å²	128	82%	0.818	76%	0.756	S	S	*	*			trans	-89.9	84.5	168.2	-167.5	0	0	0	0	110.6	V318 K322	V318-C320 PolarHBondContact O-N 2.89Å; C320-K322 PolarHBondContact O-N 3.43Å
321	N	26.2	Very low	27.2	Very low	136 Å²	136	130.6 Å²	130.6	73%	0.727	76%	0.762	S	S	*	*			trans	-94.2	84.5	176.1	-93.9	-9.8	0	0	0	111.9	T319	T319-N321 PolarHBondContact O-N 3.15Å
322	K	31.7	Very low	27.2	Very low	186 Å²	186	129.7 Å²	129.7	81%	0.809	75%	0.753	S	S	*	*			trans	-171.3	89.3	147.3	-103	169.6	-177.2	179.7	0	105.8	C320	C320-K322 PolarHBondContact O-N 3.43Å
323	L	25.5	Very low	27.3	Very low	140 Å²	140	133.2 Å²	133.2	73%	0.733	76%	0.755	S	S	*	*				43.2	103.6	76.5	-59.2	164.2	0	0	0	109.1
324	N	29.3	Very low	27.3	Very low	136 Å²	136	133.5 Å²	133.5	73%	0.727	76%	0.758	S	S	*	*			cis	-149.4	157	20.8	-72.2	-26.6	0	0	0	108.3
325	N	28.2	Very low	27.2	Very low	153 Å²	153	134.3 Å²	134.3	82%	0.818	75%	0.754	S	S	*	*			cis	-137.7	143.5	4.5	-92.1	-31.9	0	0	0	110
326	I	25.5	Very low	27.1	Very low	154 Å²	154	133 Å²	133	79%	0.79	75%	0.753	S	S	*	*			trans	-90.7	164.6	166.4	-67.4	165.9	0	0	0	108.8
327	T	26.4	Very low	27.1	Very low	124 Å²	124	136.3 Å²	136.3	76%	0.761	76%	0.762	S	S	*	*			trans	119.6	131.8	156.5	64.4	0	0	0	0	113.7
328	T	26.1	Very low	27.1	Very low	129 Å²	129	135.9 Å²	135.9	79%	0.791	76%	0.759	S	S	*	*			cis	-157.2	160.2	-14.7	5.8	0	0	0	0	110.5
329	C	23.2	Very low	26.9	Very low	110 Å²	110	136.3 Å²	136.3	74%	0.743	76%	0.756	S	S	*	*			trans	-38	131.4	164.4	-176.8	0	0	0	0	115.1
330	S	25.9	Very low	26.8	Very low	90 Å²	90	135.2 Å²	135.2	63%	0.629	75%	0.753	S	S	*	*				162.4	119.4	118.3	-71.8	0	0	0	0	112.3
331	N	26.8	Very low	26.8	Very low	155 Å²	155	134.7 Å²	134.7	83%	0.829	75%	0.751	S	S	*	*			trans	-143.8	56.3	147.7	-134.1	-11.4	0	0	0	109.9
332	V	27.4	Very low	26.8	Very low	83 Å²	83	134.1 Å²	134.1	50%	0.503	76%	0.756	S	S	.	*			trans	-73.3	123.5	160.2	-169.3	0	0	0	0	106.5	N334 C335	V332-N334 VanDerWaalsContact CG1-C 3.45Å; V332-N334 WeakPolarHBondContact CG1-O 3.29Å; V332-C335 HydrophobicContact CB-CB 3.81Å; V332-C335 HydrophobicContact CG1-CB 4.27Å; V332-C335 WeakPolarHBondContact O-CA 3.43Å; V332-C335 WeakPolarHBondContact O-CB 3.15Å; V332-C335 PolarHBondContact O-N 3.39Å; V332-C335 VanDerWaalsContact O-O 3.11Å
333	K	30.7	Very low	26.6	Very low	189 Å²	189	130.7 Å²	130.7	82%	0.822	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.5	99.3	149.2	-75.6	-174.6	176.8	-177.7	0	103.9
334	N	29.6	Very low	26.6	Very low	164 Å²	164	130.8 Å²	130.8	88%	0.877	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	cis	-83.7	88.9	27	-63.4	-22.6	0	0	0	118.2	V332	V332-N334 VanDerWaalsContact CG1-C 3.45Å; V332-N334 WeakPolarHBondContact CG1-O 3.29Å
335	C	26.3	Very low	26.5	Very low	76 Å²	76	130.7 Å²	130.7	51%	0.514	76%	0.755	S	S	.	*	S	Bend	trans	-144.3	118.9	144	-167.2	0	0	0	0	106.9	V332 L337	V332-C335 HydrophobicContact CB-CB 3.81Å; V332-C335 HydrophobicContact CG1-CB 4.27Å; V332-C335 WeakPolarHBondContact O-CA 3.43Å; V332-C335 WeakPolarHBondContact O-CB 3.15Å; V332-C335 PolarHBondContact O-N 3.39Å; V332-C335 VanDerWaalsContact O-O 3.11Å; C335-L337 PolarHBondContact O-N 3.21Å
336	N	25	Very low	26.4	Very low	158 Å²	158	130.7 Å²	130.7	85%	0.845	75%	0.754	S	S	*	*			trans	-74.3	111.7	178.5	-74.4	-35.1	0	0	0	108.9
337	L	29.6	Very low	26.3	Very low	166 Å²	166	128.1 Å²	128.1	87%	0.869	75%	0.75	S	S	*	*			trans	-171.6	160.8	147.9	-100.1	147.2	0	0	0	111	C335	C335-L337 PolarHBondContact O-N 3.21Å
338	T	24.5	Very low	26.6	Very low	119 Å²	119	128.8 Å²	128.8	73%	0.73	75%	0.754	S	S	*	*			trans	-118.8	156.2	-156.6	49.1	0	0	0	0	114.3
339	L	25.1	Very low	26.7	Very low	154 Å²	154	126.4 Å²	126.4	81%	0.806	76%	0.755	S	S	*	*			trans	80.9	112.3	149.7	-121.8	72.7	0	0	0	120.1
340	S	24.3	Very low	26.9	Very low	96 Å²	96	129.3 Å²	129.3	67%	0.671	76%	0.761	S	S	*	*			trans	39.6	126	134.9	67.2	0	0	0	0	121.4
341	S	26	Very low	26.8	Very low	111 Å²	111	129.9 Å²	129.9	78%	0.776	76%	0.764	S	S	*	*				175.9	170	91.7	50	0	0	0	0	112.3
342	C	26.1	Very low	27.2	Very low	124 Å²	124	128.3 Å²	128.3	84%	0.838	76%	0.763	S	S	*	*			trans	69.6	63.2	167.7	-65.8	0	0	0	0	118.7
343	C	26.4	Very low	27.1	Very low	113 Å²	113	134 Å²	134	76%	0.764	78%	0.777	S	S	*	*			trans	-61.4	170.9	131.6	-68	0	0	0	0	111.3
344	N	26.8	Very low	27	Very low	143 Å²	143	132 Å²	132	77%	0.765	78%	0.775	S	S	*	*			trans	104.5	115	163.1	-54.5	-14.1	0	0	0	113
345	N	25.7	Very low	26.9	Very low	133 Å²	133	131.4 Å²	131.4	71%	0.711	77%	0.77	S	S	*	*				-171.4	147.1	50	-100.2	-34	0	0	0	112.1
346	L	26.3	Very low	26.8	Very low	154 Å²	154	134.3 Å²	134.3	81%	0.806	78%	0.781	S	S	*	*			trans	47.4	145.3	137.2	-87	59.1	0	0	0	120.8
347	S	25.2	Very low	27	Very low	99 Å²	99	130.8 Å²	130.8	69%	0.692	77%	0.769	S	S	*	*			cis	-168.4	-172.2	-3.6	-163.3	0	0	0	0	109.2
348	T	32.7	Very low	26.8	Very low	138 Å²	138	129.9 Å²	129.9	85%	0.847	77%	0.765	S	S	*	*			trans	73	93.3	169.1	68.6	0	0	0	0	115.9
349	G	26.5	Very low	27	Very low	79 Å²	79	130.3 Å²	130.3	81%	0.814	76%	0.763	S	S	*	*			trans	-104.5	164.8	160.4	0	0	0	0	0	111.5
350	I	28.6	Very low	27.2	Very low	172 Å²	172	131.3 Å²	131.3	88%	0.882	77%	0.769	S	S	*	*			trans	-134	125.1	157	-71.9	169.1	0	0	0	106.5
351	C	22.9	Very low	27.5	Very low	102 Å²	102	131.8 Å²	131.8	69%	0.689	77%	0.772	S	S	*	*			trans	-133.5	123.5	170	178.3	0	0	0	0	108.1	Y353	C351-Y353 WeakPolarHBondContact O-CD2 3.32Å; C351-Y353 PolarHBondContact O-N 3.33Å
352	P	35.1	Very low	27.9	Very low	122 Å²	122	131.2 Å²	131.2	79%	0.792	77%	0.768	S	S	*	*			trans	-89.5	81.8	173	33	-29.2	0	0	0	111.3
353	Y	25.7	Very low	27.9	Very low	203 Å²	203	132.3 Å²	132.3	80%	0.796	77%	0.766	S	S	*	*				37.6	123.2	125.2	-90.7	-87.3	0	0	0	123	C351	C351-Y353 WeakPolarHBondContact O-CD2 3.32Å; C351-Y353 PolarHBondContact O-N 3.33Å
354	N	28.6	Very low	28	Very low	147 Å²	147	134.2 Å²	134.2	79%	0.786	77%	0.767	S	S	*	*			trans	-60.9	150	148.5	-178.4	4.3	0	0	0	112
355	L	27.4	Very low	28.1	Very low	150 Å²	150	131.4 Å²	131.4	79%	0.785	76%	0.758	S	S	*	*			trans	-139.7	96.2	173.3	-92.3	172.7	0	0	0	114.4
356	N	24.7	Very low	28.2	Very low	137 Å²	137	132 Å²	132	73%	0.733	76%	0.761	S	S	*	*			trans	52.3	110.4	135.5	-81.8	-4.1	0	0	0	123.7
357	S	28.7	Very low	28.5	Very low	85 Å²	85	129.1 Å²	129.1	59%	0.594	75%	0.754	S	S	*	*				8.4	134.5	112.2	-171.7	0	0	0	0	119.6
358	N	26.1	Very low	28.8	Very low	147 Å²	147	129 Å²	129	79%	0.786	75%	0.754	S	S	*	*				-171.1	145.4	108.1	-96.7	-9.6	0	0	0	117.1
359	N	28.4	Very low	28.7	Very low	128 Å²	128	128.7 Å²	128.7	68%	0.684	75%	0.747	S	S	*	*			trans	-43.7	160.1	174.8	-54.5	-32.1	0	0	0	117.7
360	N	28.2	Very low	29	Very low	174 Å²	174	131 Å²	131	93%	0.93	74%	0.74	S	S	*	*				-139.9	116.2	125.7	-113.8	-7.9	0	0	0	110.1
361	S	32	Very low	29.3	Very low	106 Å²	106	128.4 Å²	128.4	74%	0.741	73%	0.728	S	S	*	*			trans	-98.5	151.1	169.9	-53.4	0	0	0	0	109.9
362	S	33.8	Very low	29.7	Very low	99 Å²	99	129.6 Å²	129.6	69%	0.692	73%	0.728	S	S	*	*			trans	-153.3	119.6	149.6	57.6	0	0	0	0	112
363	N	27	Very low	29.6	Very low	148 Å²	148	129.4 Å²	129.4	79%	0.791	72%	0.72	S	S	*	*			trans	65.6	118.2	139.9	-62.2	-5.4	0	0	0	117.1
364	I	28.4	Very low	29.9	Very low	152 Å²	152	125.4 Å²	125.4	78%	0.779	71%	0.713	S	S	*	*				-169.6	157.3	51.4	-108	142.5	0	0	0	111.1
365	S	28.4	Very low	30.2	Very low	84 Å²	84	124.8 Å²	124.8	59%	0.587	71%	0.709	S	S	*	*			trans	-46.4	164.4	171.1	54.7	0	0	0	0	115.7
366	N	28.5	Very low	30.5	Very low	145 Å²	145	126.2 Å²	126.2	78%	0.775	71%	0.711	S	S	*	*				-173.8	156.8	52.4	-128.2	-15.9	0	0	0	114.9
367	S	31	Very low	30.9	Very low	94 Å²	94	123.3 Å²	123.3	66%	0.657	71%	0.714	S	S	*	*			trans	58	105.8	147.4	-76.1	0	0	0	0	124.5
368	S	32.3	Very low	30.9	Very low	98 Å²	98	127 Å²	127	69%	0.685	73%	0.728	S	S	*	*				77.1	130.7	101.6	-56.1	0	0	0	0	123.6
369	N	31.2	Very low	31	Very low	130 Å²	130	123.1 Å²	123.1	70%	0.695	72%	0.722	S	S	*	*			trans	93.4	110.6	138	-73.8	-2.5	0	0	0	120.9
370	N	31.5	Very low	31.1	Very low	127 Å²	127	123.4 Å²	123.4	68%	0.679	73%	0.734	S	S	*	*				70.2	136.4	120.2	-63.3	1.8	0	0	0	118
371	N	34.8	Very low	31	Very low	118 Å²	118	119.8 Å²	119.8	63%	0.631	72%	0.722	S	S	*	*			cis	-162.7	157.4	20	-108.8	-11.9	0	0	0	109.4
372	N	31.6	Very low	30.8	Very low	127 Å²	127	122.4 Å²	122.4	68%	0.679	73%	0.725	S	S	*	*			trans	54.7	136.8	137.5	-59.2	3.1	0	0	0	119.6
373	N	33.3	Very low	30.5	Very low	118 Å²	118	124.3 Å²	124.3	63%	0.631	73%	0.727	S	S	*	*			cis	-163.3	161.1	15.1	-111.2	17.8	0	0	0	109.8
374	D	32.6	Very low	30.4	Very low	120 Å²	120	122.1 Å²	122.1	64%	0.642	72%	0.723	S	S	*	*			trans	41	132.7	139.4	-42.8	-29.4	0	0	0	119.9
375	N	34.4	Very low	30.4	Very low	133 Å²	133	122.8 Å²	122.8	71%	0.711	73%	0.729	S	S	*	*			cis	-164	148.3	33.1	-123.6	-32.8	0	0	0	114.1
376	H	33.5	Very low	30.2	Very low	180 Å²	180	126.6 Å²	126.6	83%	0.833	74%	0.739	S	S	*	*			trans	11.3	133.7	159.3	-70.4	-60.1	0	0	0	124
377	G	32.5	Very low	30.2	Very low	77 Å²	77	130.4 Å²	130.4	79%	0.794	74%	0.744	S	S	*	*			trans	-179.1	83.6	157.8	0	0	0	0	0	114.5
378	N	29.4	Very low	29.9	Very low	163 Å²	163	131.9 Å²	131.9	87%	0.872	75%	0.749	S	S	*	*			trans	-40.6	150.6	178.2	-53.9	-29.9	0	0	0	115.3
379	G	27.9	Very low	29.7	Very low	65 Å²	65	132.6 Å²	132.6	67%	0.67	75%	0.754	S	S	*	*			cis	149.7	162.8	2.7	0	0	0	0	0	112.1
380	S	30.6	Very low	29.4	Very low	134 Å²	134	132.8 Å²	132.8	94%	0.937	76%	0.755	S	S	*	*			trans	80	111.2	170.4	-48.6	0	0	0	0	118.2
381	S	27.3	Very low	29.3	Very low	97 Å²	97	137.6 Å²	137.6	68%	0.678	77%	0.765	S	S	*	*			trans	-95.8	-177.6	169.1	57.3	0	0	0	0	111.8
382	M	26.6	Very low	28.8	Very low	162 Å²	162	137.9 Å²	137.9	80%	0.798	78%	0.775	S	S	*	*			trans	72.9	144.5	160	-67.2	171.7	-177.9	0	0	115.9
383	N	26.9	Very low	28.6	Very low	139 Å²	139	137.4 Å²	137.4	74%	0.743	78%	0.78	S	S	*	*			cis	-143	164.3	9.8	-111.5	-23.1	0	0	0	112.6
384	S	26	Very low	28.2	Very low	102 Å²	102	137.9 Å²	137.9	71%	0.713	79%	0.788	S	S	*	*			trans	-57.1	140.5	164.6	51.9	0	0	0	0	112.7
385	D	28.1	Very low	27.9	Very low	166 Å²	166	139.4 Å²	139.4	89%	0.888	80%	0.802	S	S	*	*			trans	-145.6	146.3	151.2	-112.3	-34.8	0	0	0	113
386	M	25.2	Very low	27.6	Very low	164 Å²	164	136.5 Å²	136.5	81%	0.808	80%	0.803	S	S	*	*			trans	-97.9	117.9	-163.5	172.5	-174.7	71.8	0	0	110.9
387	Y	27.3	Very low	27.2	Very low	224 Å²	224	134.1 Å²	134.1	88%	0.878	81%	0.807	S	S	*	*			trans	-135	131	167.2	-96.5	-80.5	0	0	0	115.6
388	V	25.4	Very low	27	Very low	126 Å²	126	137.3 Å²	137.3	76%	0.764	80%	0.804	S	S	*	*			trans	-56.1	134.9	176.6	178.7	0	0	0	0	111
389	S	28	Very low	26.8	Very low	113 Å²	113	137.2 Å²	137.2	79%	0.79	80%	0.802	S	S	*	*			trans	-123	120.3	162.6	56.4	0	0	0	0	110.2
390	D	24.9	Very low	26.8	Very low	134 Å²	134	139.4 Å²	139.4	72%	0.717	81%	0.806	S	S	*	*			trans	-62.3	170.4	175.3	-72.2	-58.4	0	0	0	112.6
391	Y	29.2	Very low	26.5	Very low	228 Å²	228	141.8 Å²	141.8	89%	0.894	80%	0.799	S	S	*	*			trans	85.9	65.7	179	-59.8	-83.6	0	0	0	116.4
392	C	24.7	Very low	26.5	Very low	123 Å²	123	143.3 Å²	143.3	83%	0.831	81%	0.807	S	S	*	*			trans	-65	155.8	149.7	-166.6	0	0	0	0	111.2
393	C	25.9	Very low	26.6	Very low	118 Å²	118	145.6 Å²	145.6	80%	0.797	81%	0.812	S	S	*	*			trans	96.1	71.8	174.6	-56.1	0	0	0	0	118.7
394	T	25.7	Very low	26.5	Very low	128 Å²	128	145 Å²	145	79%	0.785	81%	0.814	S	S	*	*	S	Bend	trans	-133.8	127.8	142.4	47.3	0	0	0	0	110.7
395	T	27.4	Very low	26.6	Very low	152 Å²	152	146.6 Å²	146.6	93%	0.933	82%	0.823	S	S	*	*	S	Bend	trans	70.7	148	-175.7	77.3	0	0	0	0	115.4
396	G	27.6	Very low	26.4	Very low	72 Å²	72	143.6 Å²	143.6	74%	0.742	82%	0.815	S	S	*	*			trans	111.3	105.6	176.4	0	0	0	0	0	115	I398	G396-I398 PolarHBondContact O-N 3.33Å
397	S	24.4	Very low	26.6	Very low	130 Å²	130	142.7 Å²	142.7	91%	0.909	81%	0.814	S	S	*	*			trans	-76.3	107.8	171.4	-58.4	0	0	0	0	110.8
398	I	29.3	Very low	26.7	Very low	144 Å²	144	139 Å²	139	74%	0.738	81%	0.809	S	S	*	*			trans	-132.4	113.8	167.9	-57.8	-177.9	0	0	0	109.9	G396 C400	G396-I398 PolarHBondContact O-N 3.33Å; I398-C400 PolarHBondContact O-N 3.5Å
399	I	24	Very low	26.7	Very low	161 Å²	161	139.9 Å²	139.9	83%	0.826	81%	0.808	S	S	*	*			trans	-87.1	96.2	173.8	-60.7	171.2	0	0	0	108.4
400	C	27.5	Very low	26.8	Very low	111 Å²	111	141.1 Å²	141.1	75%	0.75	81%	0.806	S	S	*	*			trans	-88.8	109	166.9	-76.6	0	0	0	0	110.2	I398	I398-C400 PolarHBondContact O-N 3.5Å
401	K	25.9	Very low	26.9	Very low	183 Å²	183	139.6 Å²	139.6	80%	0.796	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-68.6	137.6	171.5	-66.9	177.4	178.3	176.8	0	109.9	K403	K401-K403 PolarHBondContact O-N 3.05Å
402	P	26.6	Very low	26.7	Very low	130 Å²	130	135.8 Å²	135.8	84%	0.844	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-71.5	119.8	172.6	29.3	-32.3	0	0	0	109.9
403	K	29.6	Very low	27	Very low	209 Å²	209	139.3 Å²	139.3	91%	0.909	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-83.9	128.5	162.9	-95.9	-174.4	174.7	-179.2	0	109.2	K401	K401-K403 PolarHBondContact O-N 3.05Å
404	T	24.2	Very low	27	Very low	127 Å²	127	140.6 Å²	140.6	78%	0.779	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-57.1	137.7	173	48.2	0	0	0	0	112.7
405	C	27.8	Very low	27.2	Very low	135 Å²	135	142.5 Å²	142.5	91%	0.912	80%	0.802	S	S	*	*			trans	-151.3	103.6	146.6	-98.8	0	0	0	0	109.4
406	S	24.6	Very low	27.2	Very low	103 Å²	103	140.4 Å²	140.4	72%	0.72	79%	0.789	S	S	*	*			trans	-67.7	150.1	164.6	-47	0	0	0	0	110.1
407	N	29.1	Very low	27.2	Very low	145 Å²	145	145.1 Å²	145.1	78%	0.775	79%	0.792	S	S	*	*				175.8	137.7	124.2	-89.8	-17.9	0	0	0	114.4
408	L	29.8	Very low	27.5	Very low	147 Å²	147	146.4 Å²	146.4	77%	0.77	79%	0.789	S	S	*	*			trans	61	105.7	150	-58.6	159.8	0	0	0	117.9
409	L	25.3	Very low	27.3	Very low	144 Å²	144	144.1 Å²	144.1	75%	0.754	79%	0.791	S	S	*	*				77.9	108.4	62.6	-81.2	159	0	0	0	116.1
410	N	29.1	Very low	27.8	Very low	140 Å²	140	142.1 Å²	142.1	75%	0.749	79%	0.792	S	S	*	*			trans	146.7	97.6	137.7	-79.4	-0.2	0	0	0	110.1
411	T	27.2	Very low	27.8	Very low	101 Å²	101	148.2 Å²	148.2	62%	0.62	80%	0.799	S	S	*	*				81.3	113.1	74.8	57.7	0	0	0	0	115.2
412	N	25.6	Very low	27.8	Very low	148 Å²	148	146 Å²	146	79%	0.791	81%	0.805	S	S	*	*			trans	59.3	115.8	141.4	-53.4	-11.5	0	0	0	119.8
413	E	31.2	Very low	28.1	Very low	197 Å²	197	146 Å²	146	92%	0.921	80%	0.803	S	S	*	*				-151.3	141.6	119.7	-119.3	168.3	-166.2	0	0	111.5
414	I	25	Very low	27.9	Very low	145 Å²	145	140.6 Å²	140.6	74%	0.744	80%	0.797	S	S	*	*			trans	-122.1	137.4	179.8	-64.9	167.1	0	0	0	106.1
415	I	31.1	Very low	28.1	Very low	168 Å²	168	139.8 Å²	139.8	86%	0.862	80%	0.797	S	S	*	*			trans	-158.3	154.3	149	-98	138.8	0	0	0	109.4
416	T	25.7	Very low	28.1	Very low	108 Å²	108	140.3 Å²	140.3	66%	0.663	80%	0.796	S	S	*	*			trans	-105.1	-173.2	-160.1	48.1	0	0	0	0	113.6
417	Q	28.1	Very low	28.1	Very low	172 Å²	172	139.9 Å²	139.9	80%	0.804	80%	0.799	S	S	*	*			trans	87.2	136.4	172.7	-60	170.1	-31.4	0	0	114.2
418	D	30.8	Very low	28.1	Very low	157 Å²	157	141 Å²	141	84%	0.84	80%	0.803	S	S	*	*			cis	-139	167.9	13.3	-97.8	-44.3	0	0	0	114.1
419	A	25.4	Very low	28	Very low	96 Å²	96	140.4 Å²	140.4	79%	0.793	81%	0.805	S	S	*	*			trans	-129.6	121.1	175.4	0	0	0	0	0	112.8
420	S	33.6	Very low	28.2	Very low	119 Å²	119	139 Å²	139	83%	0.832	81%	0.807	S	S	*	*			trans	-155.1	108	163.5	47.7	0	0	0	0	114.3
421	R	27.5	Very low	28	Very low	239 Å²	239	137.9 Å²	137.9	90%	0.902	81%	0.809	S	S	*	*			trans	9.9	126.7	149.9	-62.4	172.5	173.8	174.7	-3.3	119.7
422	C	27.2	Very low	28	Very low	137 Å²	137	138.6 Å²	138.6	93%	0.926	82%	0.816	S	S	*	*			trans	-137.8	158.7	134.5	-102.2	0	0	0	0	110.1
423	T	31.3	Very low	28.2	Very low	129 Å²	129	139.8 Å²	139.8	79%	0.791	82%	0.82	S	S	*	*			trans	-114.3	135.9	-151.2	46.1	0	0	0	0	115.9
424	A	25.6	Very low	28.1	Very low	95 Å²	95	141.4 Å²	141.4	79%	0.785	82%	0.817	S	S	*	*			trans	27	116.3	150.6	0	0	0	0	0	120.8
425	S	29.8	Very low	28.4	Very low	111 Å²	111	144.5 Å²	144.5	78%	0.776	83%	0.825	S	S	*	*				-163.6	128	111.4	-79.5	0	0	0	0	112.4
426	T	26.2	Very low	28.2	Very low	146 Å²	146	143.9 Å²	143.9	90%	0.896	82%	0.823	S	S	*	*			trans	44	81.4	160	50.1	0	0	0	0	119.8
427	A	25.4	Very low	28.4	Very low	94 Å²	94	145 Å²	145	78%	0.777	83%	0.829	S	S	*	*			trans	-142	119.1	148.7	0	0	0	0	0	109.2
428	I	28.3	Very low	28.5	Very low	169 Å²	169	141.8 Å²	141.8	87%	0.867	83%	0.825	S	S	*	*			trans	-108.1	92.8	177.1	-60.1	-179.9	0	0	0	109
429	V	27.7	Very low	28.2	Very low	133 Å²	133	140.8 Å²	140.8	81%	0.806	83%	0.829	S	S	*	*			trans	-101.8	110.3	162.2	174.9	0	0	0	0	107.6	C431	V429-C431 PolarHBondContact O-N 3.18Å
430	S	29.9	Very low	28.5	Very low	116 Å²	116	141.9 Å²	141.9	81%	0.811	83%	0.826	S	S	*	*			trans	-95.2	85.4	175.7	67.2	0	0	0	0	111.3
431	C	25.4	Very low	28.2	Very low	115 Å²	115	141.8 Å²	141.8	78%	0.777	83%	0.825	S	S	*	*			trans	-97.5	101.4	167.7	-175.3	0	0	0	0	110.2	V429	V429-C431 PolarHBondContact O-N 3.18Å
432	C	28	Very low	28.3	Very low	116 Å²	116	136.3 Å²	136.3	78%	0.784	82%	0.818	S	S	*	*			trans	-171.4	160.9	151.6	-120.3	0	0	0	0	113.3
433	M	28.3	Very low	28.3	Very low	174 Å²	174	136 Å²	136	86%	0.857	81%	0.814	S	S	*	*			trans	97.7	46.8	179.8	-52.5	-54.4	174	0	0	117.5
434	R	30.8	Very low	28.3	Very low	231 Å²	231	136.1 Å²	136.1	87%	0.872	81%	0.814	S	S	*	*			trans	-110.1	121.7	138.5	-79.7	-171.6	177.8	178.8	3.8	109.3	L436	R434-L436 VanDerWaalsContact C-N 3.3Å; R434-L436 PolarHBondContact O-N 3.02Å
435	K	30.1	Very low	28.5	Very low	209 Å²	209	137.8 Å²	137.8	91%	0.909	82%	0.815	S	S	*	*			trans	-67	89.4	167.4	-74.1	-176.3	174.8	-178.3	0	109.3
436	L	27.9	Very low	28.3	Very low	155 Å²	155	139.5 Å²	139.5	81%	0.812	82%	0.815	S	S	*	*			trans	-81.9	109.8	149.1	-85.5	120.1	0	0	0	106.8	R434	R434-L436 VanDerWaalsContact C-N 3.3Å; R434-L436 PolarHBondContact O-N 3.02Å
437	V	30.2	Very low	28.4	Very low	132 Å²	132	138.5 Å²	138.5	80%	0.8	81%	0.811	S	S	*	*			trans	-80.4	124.9	161.6	175.3	0	0	0	0	106.3
438	C	29	Very low	28.5	Very low	105 Å²	105	140.9 Å²	140.9	71%	0.709	81%	0.809	S	S	*	*			trans	-62.2	145.8	-176.3	-63.1	0	0	0	0	112.1	T440	C438-T440 PolarHBondContact O-N 3.47Å; C438-T440 VanDerWaalsContact O-N 3.11Å
439	C	25.4	Very low	28.6	Very low	136 Å²	136	138.7 Å²	138.7	92%	0.919	81%	0.807	S	S	*	*			trans	-66.6	106.3	165.4	-62.9	0	0	0	0	109.7
440	T	31	Very low	28.7	Very low	119 Å²	119	138 Å²	138	73%	0.73	81%	0.807	S	S	*	*			trans	-122.8	108	160.5	53	0	0	0	0	109.3	C438 T442	C438-T440 PolarHBondContact O-N 3.47Å; C438-T440 VanDerWaalsContact O-N 3.11Å; T440-T442 PolarHBondContact O-N 2.89Å
441	S	26.6	Very low	28.5	Very low	117 Å²	117	140 Å²	140	82%	0.818	81%	0.809	S	S	*	*			trans	-38.6	121.2	170.5	46.4	0	0	0	0	115.7
442	T	29.9	Very low	28.7	Very low	123 Å²	123	146 Å²	146	76%	0.755	82%	0.815	S	S	*	*			trans	-165	128.5	146.6	23.8	0	0	0	0	109.2	T440	T440-T442 PolarHBondContact O-N 2.89Å
443	P	27	Very low	28.6	Very low	130 Å²	130	144 Å²	144	84%	0.844	80%	0.802	S	S	*	*			trans	-89.4	120.7	172.8	33.3	-28.7	0	0	0	110.2
444	V	31.2	Very low	28.7	Very low	132 Å²	132	144.2 Å²	144.2	80%	0.8	80%	0.803	S	S	*	*			trans	-132.6	137.5	172	-175.3	0	0	0	0	110.4
445	T	30.5	Very low	28.5	Very low	131 Å²	131	141 Å²	141	80%	0.804	80%	0.798	S	S	*	*			trans	-78.6	161	-167.4	43.9	0	0	0	0	114.9
446	L	25.1	Very low	28.4	Very low	147 Å²	147	139.1 Å²	139.1	77%	0.77	80%	0.798	S	S	*	*			trans	-46.1	160.9	167.9	-74.8	147.9	0	0	0	114.6
447	P	29.2	Very low	28.3	Very low	125 Å²	125	139.9 Å²	139.9	81%	0.812	80%	0.797	S	S	*	*			trans	-109.4	141.7	130.4	33.4	-30.6	0	0	0	112.5
448	I	27.9	Very low	28.2	Very low	144 Å²	144	139.1 Å²	139.1	74%	0.738	79%	0.793	S	S	*	*			trans	-97	140.2	-179.3	-66.1	157.3	0	0	0	109.5
449	C	29.2	Very low	28.3	Very low	123 Å²	123	140.6 Å²	140.6	83%	0.831	79%	0.794	S	S	*	*			trans	-162.6	133.9	154.1	-89.1	0	0	0	0	108.5
450	C	31	Very low	28.4	Very low	118 Å²	118	140.7 Å²	140.7	80%	0.797	79%	0.785	S	S	*	*			cis	-150	135.4	-18.1	-94	0	0	0	0	106.3
451	D	24	Very low	28.4	Very low	158 Å²	158	141.4 Å²	141.4	85%	0.845	79%	0.785	S	S	*	*			trans	-111.1	142.6	172.9	-163.2	-9.3	0	0	0	108.9
452	R	30.4	Very low	28.5	Very low	242 Å²	242	142.2 Å²	142.2	91%	0.913	78%	0.78	S	S	*	*			trans	-149.7	81.7	175.6	-142.9	178.8	-161.8	-144.5	3.4	112.5
453	S	26.7	Very low	28.6	Very low	73 Å²	73	144.8 Å²	144.8	51%	0.51	78%	0.783	S	S	.	*			trans	-12.2	133.2	145.4	177	0	0	0	0	115.8
454	M	29.5	Very low	28.6	Very low	179 Å²	179	145.3 Å²	145.3	88%	0.882	78%	0.779	S	S	*	*				-139.4	131.2	118.7	-93.1	-59.9	137.5	0	0	109.9
455	Q	27.4	Very low	28.4	Very low	163 Å²	163	148.2 Å²	148.2	76%	0.762	78%	0.781	S	S	*	*			trans	-75.2	149.1	169.4	-64.3	160.4	-48.5	0	0	109.4
456	N	28.5	Very low	28.1	Very low	169 Å²	169	148.3 Å²	148.3	90%	0.904	78%	0.775	S	S	*	*				-159.7	136.8	127	-105.2	-14.8	0	0	0	110.8
457	E	25.1	Very low	28.2	Very low	171 Å²	171	148 Å²	148	80%	0.799	77%	0.773	S	S	*	*			trans	-85	179.1	-179.8	-61.4	-179.4	139.5	0	0	111.8
458	T	28.6	Very low	28.3	Very low	116 Å²	116	150.7 Å²	150.7	71%	0.712	77%	0.774	S	S	*	*			trans	99.1	125	154.7	74.1	0	0	0	0	119.3
459	N	30.4	Very low	28.1	Very low	136 Å²	136	151.3 Å²	151.3	73%	0.727	77%	0.774	S	S	*	*			trans	73.6	98.6	143.1	-61.3	-15.8	0	0	0	120.6
460	N	27.1	Very low	28.2	Very low	138 Å²	138	152.5 Å²	152.5	74%	0.738	78%	0.778	S	S	*	*				51.1	132.8	110.5	-79.3	-0	0	0	0	121
461	N	31.9	Very low	28	Very low	134 Å²	134	155 Å²	155	72%	0.717	78%	0.775	S	S	*	*			trans	87.5	117.3	150.4	-56.1	-18.4	0	0	0	118.3
462	N	27.5	Very low	28.3	Very low	134 Å²	134	153.4 Å²	153.4	72%	0.717	77%	0.771	S	S	*	*			trans	39.5	113.4	133	-54.9	-8.8	0	0	0	118.2
463	H	33	Very low	28.2	Very low	177 Å²	177	147.4 Å²	147.4	82%	0.819	76%	0.762	S	S	*	*				-170.7	143.8	96.5	-106.6	-81.2	0	0	0	112.4
464	N	26	Very low	28.1	Very low	142 Å²	142	150.7 Å²	150.7	76%	0.759	77%	0.774	S	S	*	*			trans	-61.3	144.9	163.8	-67.6	-35.5	0	0	0	110.4
465	F	27.3	Very low	28.1	Very low	192 Å²	192	149 Å²	149	84%	0.842	77%	0.773	S	S	*	*				-162.5	110.7	126.7	-109.4	-71.3	0	0	0	113.2
466	I	24.7	Very low	28.1	Very low	133 Å²	133	145.4 Å²	145.4	68%	0.682	77%	0.772	S	S	*	*			trans	-7.6	138.1	144	-32.1	178.3	0	0	0	116.1
467	I	26.9	Very low	27.9	Very low	140 Å²	140	148.5 Å²	148.5	72%	0.718	77%	0.771	S	S	*	*				175.8	119.2	119.5	-88.9	160.4	0	0	0	114.3
468	Q	30.4	Very low	28	Very low	182 Å²	182	147.8 Å²	147.8	85%	0.85	77%	0.771	S	S	*	*			trans	67.1	131.6	147.4	-70.2	170.2	-11.3	0	0	123.9
469	E	24.6	Very low	27.8	Very low	158 Å²	158	149.2 Å²	149.2	74%	0.738	78%	0.779	S	S	*	*			trans	-74	148	166.7	-49.1	-179.8	135.2	0	0	112.1
470	T	30.7	Very low	27.7	Very low	147 Å²	147	148.1 Å²	148.1	90%	0.902	78%	0.781	S	S	*	*			trans	-128.5	125.5	150.4	50.9	0	0	0	0	109.9
471	K	27.5	Very low	27.7	Very low	170 Å²	170	145.6 Å²	145.6	74%	0.739	77%	0.774	S	S	*	*			trans	-87.8	167.8	177	-74.8	174.7	178.3	164.8	0	110.9
472	T	31.3	Very low	27.5	Very low	125 Å²	125	144.8 Å²	144.8	77%	0.767	78%	0.775	S	S	*	*			trans	101	94.5	157.2	70.5	0	0	0	0	119.5
473	T	27	Very low	27.6	Very low	116 Å²	116	142.1 Å²	142.1	71%	0.712	77%	0.767	S	S	*	*				67.3	126.5	126.2	57.1	0	0	0	0	122.9
474	N	25.5	Very low	27.5	Very low	143 Å²	143	138 Å²	138	77%	0.765	76%	0.758	S	S	*	*			trans	70.3	107	145.8	-61.1	-15	0	0	0	118.9
475	T	28.2	Very low	27.8	Very low	142 Å²	142	137.8 Å²	137.8	87%	0.871	76%	0.764	S	S	*	*				-173.4	144.9	99.7	24.8	0	0	0	0	114.5
476	A	28.1	Very low	28	Very low	88 Å²	88	137.2 Å²	137.2	73%	0.727	76%	0.761	S	S	*	*			trans	56.4	114.7	148.9	0	0	0	0	0	123.1
477	R	24.1	Very low	28.1	Very low	234 Å²	234	142.5 Å²	142.5	88%	0.883	77%	0.773	S	S	*	*			trans	54.9	115.3	135.5	-65.8	178	173.6	164.2	-1.8	119.6
478	I	26.7	Very low	28.3	Very low	157 Å²	157	140.1 Å²	140.1	81%	0.805	77%	0.768	S	S	*	*				-154.1	125.3	98.3	-91.2	146.9	0	0	0	108.3
479	T	24.2	Very low	28	Very low	145 Å²	145	137.2 Å²	137.2	89%	0.89	76%	0.757	S	S	*	*			trans	-92.5	105	179.3	42	0	0	0	0	111
480	C	29.6	Very low	28.2	Very low	114 Å²	114	135.1 Å²	135.1	77%	0.77	75%	0.75	S	S	*	*			trans	-111.6	107.1	168.8	-78.1	0	0	0	0	111.1
481	C	26.7	Very low	28	Very low	85 Å²	85	132.6 Å²	132.6	57%	0.574	74%	0.739	S	S	*	*			trans	24.4	110.7	156.7	-136.4	0	0	0	0	119.9	C483	C481-C483 PolarHBondContact O-N 3.21Å; C481-C483 VanDerWaalsContact O-N 3.08Å
482	P	28.4	Very low	28.2	Very low	116 Å²	116	132.2 Å²	132.2	75%	0.753	74%	0.739	S	S	*	*			trans	-83.3	79.9	175.4	34.8	-33.9	0	0	0	112.2
483	C	28.5	Very low	27.9	Very low	79 Å²	79	131.9 Å²	131.9	53%	0.534	74%	0.742	S	S	.	*			trans	-113.8	84.1	179.9	-69.3	0	0	0	0	113.1	F12 C481	F12-C483 WeakPolarHBondContact CZ-SG 3.5Å; C481-C483 PolarHBondContact O-N 3.21Å; C481-C483 VanDerWaalsContact O-N 3.08Å
484	S	31.3	Very low	28.2	Very low	90 Å²	90	131.2 Å²	131.2	63%	0.629	74%	0.742	S	S	*	*			trans	161.2	128.5	147.7	-79	0	0	0	0	112.1	K486	S484-K486 VanDerWaalsContact C-N 3.26Å; S484-K486 PolarHBondContact O-N 3.14Å
485	P	32.3	Very low	28.3	Very low	138 Å²	138	133.4 Å²	133.4	90%	0.896	75%	0.748	S	S	*	*			trans	-75.3	82	156.2	32.3	-31	0	0	0	109	R487	P485-R487 PolarHBondContact O-N 3.15Å
486	K	31	Very low	28.4	Very low	180 Å²	180	133.1 Å²	133.1	78%	0.783	75%	0.746	S	S	*	*			trans	-66.6	102.7	170.6	-77.5	-175.5	177.2	178.4	0	108.9	S484 S488	S484-K486 VanDerWaalsContact C-N 3.26Å; S484-K486 PolarHBondContact O-N 3.14Å; K486-S488 VanDerWaalsContact C-N 3.25Å; K486-S488 PolarHBondContact O-N 3.3Å
487	R	28	Very low	28.3	Very low	244 Å²	244	137.3 Å²	137.3	92%	0.921	75%	0.75	S	S	*	*			trans	-73.4	86.4	164.1	-148	178.2	-157	-122.1	4	107.7	P485 I489	P485-R487 PolarHBondContact O-N 3.15Å; R487-I489 PolarHBondContact O-N 3.43Å; R487-I489 VanDerWaalsContact O-N 3.14Å
488	S	29.3	Very low	28.5	Very low	89 Å²	89	131.7 Å²	131.7	62%	0.622	74%	0.742	S	S	*	*			trans	-69.1	105.6	-176.4	51.5	0	0	0	0	110.8	K486 I490	K486-S488 VanDerWaalsContact C-N 3.25Å; K486-S488 PolarHBondContact O-N 3.3Å; S488-I490 PolarHBondContact O-N 2.77Å; S488-I490 VanDerWaalsContact O-N 3.1Å
489	I	25.1	Very low	28.4	Very low	121 Å²	121	130.2 Å²	130.2	62%	0.621	74%	0.736	S	S	*	*			trans	-72.9	95.1	161.9	-60.7	169.5	0	0	0	106.4	H299 R487	H299-I489 VanDerWaalsContact NE2-CD1 3.33Å; H299-I489 WeakPolarHBondContact NE2-CD1 3.44Å; R487-I489 PolarHBondContact O-N 3.43Å; R487-I489 VanDerWaalsContact O-N 3.14Å
490	I	29	Very low	28.7	Very low	114 Å²	114	131.9 Å²	131.9	59%	0.585	73%	0.731	S	S	*	*			trans	-96	99.1	169.7	-62.9	179.4	0	0	0	107.2	S488 Q492	S488-I490 PolarHBondContact O-N 2.77Å; S488-I490 VanDerWaalsContact O-N 3.1Å; I490-Q492 HydrophobicContact CG2-CB 4.07Å; I490-Q492 HydrophobicContact CG2-CG 3.57Å; I490-Q492 PolarHBondContact O-N 3.24Å
491	S	25.1	Very low	28.6	Very low	95 Å²	95	133 Å²	133	66%	0.664	73%	0.729	S	S	*	*			trans	-75.4	109	155.2	48.2	0	0	0	0	107.6
492	Q	31.9	Very low	28.7	Very low	161 Å²	161	135 Å²	135	75%	0.752	74%	0.741	S	S	*	*			trans	-117	105.1	169.4	-96.8	172.5	-9.3	0	0	109.7	I490	I490-Q492 HydrophobicContact CG2-CB 4.07Å; I490-Q492 HydrophobicContact CG2-CG 3.57Å; I490-Q492 PolarHBondContact O-N 3.24Å
493	S	25.7	Very low	28.8	Very low	119 Å²	119	138 Å²	138	83%	0.832	75%	0.745	S	S	*	*			trans	-79.1	111.7	155.5	48	0	0	0	0	108.3
494	S	33	Very low	28.8	Very low	101 Å²	101	143 Å²	143	71%	0.706	76%	0.758	S	S	*	*			trans	-158.2	128.9	164.3	-52	0	0	0	0	108.6
495	E	28.4	Very low	28.9	Very low	189 Å²	189	143.3 Å²	143.3	88%	0.883	76%	0.761	S	S	*	*			trans	-72.1	131	173.1	-64.3	144.4	125.5	0	0	110.3
496	V	29.4	Very low	28.8	Very low	136 Å²	136	147.1 Å²	147.1	82%	0.824	76%	0.759	S	S	*	*			trans	-142.3	112.9	154.6	-177.7	0	0	0	0	107.3
497	Q	25.7	Very low	28.8	Very low	176 Å²	176	142.3 Å²	142.3	82%	0.822	75%	0.748	S	S	*	*			trans	-76.2	137.1	164.9	-71.3	159	-86.7	0	0	109.2
498	T	28.7	Very low	28.9	Very low	117 Å²	117	137.6 Å²	137.6	72%	0.718	74%	0.741	S	S	*	*				-176.2	124.5	119.8	29.2	0	0	0	0	110.8
499	D	25.9	Very low	29.3	Very low	126 Å²	126	141.9 Å²	141.9	67%	0.674	75%	0.745	S	S	*	*			trans	39.8	123.3	137.7	-43.5	-29.4	0	0	0	120.8
500	F	29.1	Very low	29.7	Very low	180 Å²	180	139.1 Å²	139.1	79%	0.789	74%	0.74	S	S	*	*				161.8	132.9	112.5	-91.6	-77.3	0	0	0	112.8
501	D	27.6	Very low	29.8	Very low	137 Å²	137	141.4 Å²	141.4	73%	0.733	75%	0.753	S	S	*	*			trans	66	109	157	-54	-26.1	0	0	0	122.2
502	P	29.3	Very low	30.4	Very low	127 Å²	127	145.1 Å²	145.1	83%	0.825	77%	0.765	S	S	*	*			trans	-101.4	90.8	171.3	37.2	-28.6	0	0	0	112.8
503	E	29.8	Very low	30.4	Very low	180 Å²	180	141.1 Å²	141.1	84%	0.841	76%	0.759	S	S	*	*			trans	-133.9	90.1	168	-73.4	-164.8	161.3	0	0	112.1
504	F	29.7	Very low	30.7	Very low	182 Å²	182	144 Å²	144	80%	0.798	76%	0.762	S	S	*	*			trans	-146.3	128.6	152.4	-107.2	-76.4	0	0	0	110.6
505	S	32.7	Very low	30.7	Very low	98 Å²	98	147.6 Å²	147.6	69%	0.685	77%	0.772	S	S	*	*			trans	-72.9	142.3	-165.4	51.6	0	0	0	0	114.6	S507	S505-S507 PolarHBondContact O-N 2.94Å
506	Y	29.8	Very low	30.8	Very low	217 Å²	217	146.2 Å²	146.2	85%	0.851	77%	0.77	S	S	*	*	S	Bend	trans	-90	84.7	-177.9	-151	-91.4	0	0	0	110.4
507	S	31.3	Very low	30.7	Very low	79 Å²	79	147.4 Å²	147.4	55%	0.552	77%	0.772	S	S	*	*			trans	-130.8	-32.7	178.9	58.3	0	0	0	0	115.1	S505 Y509	S505-S507 PolarHBondContact O-N 2.94Å; S507-Y509 PolarHBondContact O-N 2.86Å
508	D	31.3	Very low	30.9	Very low	145 Å²	145	144 Å²	144	78%	0.775	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	11.2	-170.6	-59.9	11.6	0	0	0	113.1
509	Y	36.1	Very low	31.1	Very low	180 Å²	180	143.4 Å²	143.4	71%	0.706	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.3	1.4	-173.1	-78.4	-83.1	0	0	0	114.4	S507	S507-Y509 PolarHBondContact O-N 2.86Å
510	A	33.3	Very low	31.5	Very low	63 Å²	63	143.9 Å²	143.9	52%	0.521	79%	0.788	S	S	.	*	S	Bend	trans	-80.6	-33	-171.8	0	0	0	0	0	114.6	L512 A513	A510-L512 PolarHBondContact O-N 2.96Å; A510-L512 VanDerWaalsContact O-N 3.12Å; A510-A513 PolarHBondContact O-N 2.87Å
511	D	32.8	Very low	31.8	Very low	162 Å²	162	140.4 Å²	140.4	87%	0.866	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	5.3	-165.7	-56.9	-25.1	0	0	0	115.3
512	L	36.2	Very low	32.1	Very low	172 Å²	172	140.6 Å²	140.6	90%	0.901	79%	0.79	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.5	7.3	177.8	-98.5	158.4	0	0	0	113.5	A510	A510-L512 PolarHBondContact O-N 2.96Å; A510-L512 VanDerWaalsContact O-N 3.12Å
513	A	31.6	Very low	31.9	Very low	78 Å²	78	140.1 Å²	140.1	65%	0.645	79%	0.785	S	S	*	*	S	Bend	trans	-108.8	2.6	-173.3	0	0	0	0	0	115.5	A510	A510-A513 PolarHBondContact O-N 2.87Å
514	M	33	Very low	32.1	Very low	180 Å²	180	139.6 Å²	139.6	89%	0.887	79%	0.786	S	S	*	*	S	Bend	trans	-105.8	3.6	-175	-73.1	-162.2	70.1	0	0	116.6
515	L	32.4	Very low	32	Very low	176 Å²	176	136.6 Å²	136.6	92%	0.921	78%	0.783	S	S	*	*	S	Bend	trans	-107.1	33	-174.8	-87.8	168.6	0	0	0	115.5
516	L	31.5	Very low	32	Very low	160 Å²	160	137.6 Å²	137.6	84%	0.838	79%	0.79	S	S	*	*	S	Bend	trans	-138.8	15	-176.2	-106.4	164	0	0	0	116.6
517	N	26.7	Very low	32.2	Very low	161 Å²	161	132.6 Å²	132.6	86%	0.861	78%	0.784	S	S	*	*			trans	-134.4	75.7	-177.8	-77.9	-39.9	0	0	0	113.9
518	A	29.3	Very low	32.4	Very low	104 Å²	104	135.8 Å²	135.8	86%	0.86	79%	0.794	S	S	*	*			trans	-170.2	84.4	158.3	0	0	0	0	0	114.1
519	A	34.6	Very low	32.4	Very low	104 Å²	104	135 Å²	135	86%	0.86	79%	0.79	S	S	*	*			trans	-179.8	119.3	146.4	0	0	0	0	0	110.4
520	T	33	Very low	32.1	Very low	136 Å²	136	131.2 Å²	131.2	83%	0.834	79%	0.79	S	S	*	*			trans	-111.2	-168.5	-173	51.6	0	0	0	0	110.8
521	P	35	Very low	32	Very low	107 Å²	107	136.2 Å²	136.2	70%	0.695	81%	0.806	S	S	*	*				-130.1	-179.1	-69.1	39	-24.1	0	0	0	112.2
522	T	33.8	Very low	32	Very low	141 Å²	141	136.2 Å²	136.2	87%	0.865	81%	0.805	S	S	*	*			trans	-172.2	144.4	130	19.5	0	0	0	0	114.5
523	T	26.9	Very low	31.6	Very low	117 Å²	117	133.3 Å²	133.3	72%	0.718	80%	0.799	S	S	*	*			trans	-60.8	158.3	-179.4	47.2	0	0	0	0	117.5
524	I	32.3	Very low	32	Very low	169 Å²	169	135 Å²	135	87%	0.867	80%	0.804	S	S	*	*				-156.1	151.6	108.8	-92.5	151.1	0	0	0	110.6
525	T	28.9	Very low	32	Very low	119 Å²	119	135.6 Å²	135.6	73%	0.73	80%	0.804	S	S	*	*			trans	-93.1	150.6	-162.2	51.5	0	0	0	0	116.5
526	S	32.3	Very low	31.8	Very low	119 Å²	119	135 Å²	135	83%	0.832	80%	0.801	S	S	*	*				179.1	153.7	111.7	41.9	0	0	0	0	113.6
527	P	34.5	Very low	32	Very low	112 Å²	112	133.2 Å²	133.2	73%	0.727	80%	0.799	S	S	*	*			trans	-120.1	179.7	-168	41.5	-28.4	0	0	0	114.8
528	L	34.2	Very low	32.1	Very low	146 Å²	146	133.2 Å²	133.2	76%	0.764	80%	0.798	S	S	*	*				175	135	124.4	-91.2	162.2	0	0	0	115.3
529	N	32.4	Very low	32	Very low	128 Å²	128	136 Å²	136	68%	0.684	80%	0.798	S	S	*	*			trans	77.3	98.3	144.3	-67.8	-12.5	0	0	0	124.7
530	S	28.5	Very low	31.9	Very low	101 Å²	101	135.2 Å²	135.2	71%	0.706	79%	0.786	S	S	*	*				65.5	124.7	106.5	-53.7	0	0	0	0	122.4
531	I	32.9	Very low	31.9	Very low	168 Å²	168	135.2 Å²	135.2	86%	0.862	78%	0.781	S	S	*	*				-164.7	142.4	110.9	-92.4	150.7	0	0	0	111.4
532	L	31.5	Very low	31.7	Very low	163 Å²	163	137 Å²	137	85%	0.853	78%	0.782	S	S	*	*			trans	-33.3	151.8	-170.5	-88.1	49.9	0	0	0	123.9
533	S	28.6	Very low	31.6	Very low	111 Å²	111	136.8 Å²	136.8	78%	0.776	77%	0.774	S	S	*	*			trans	-91	-151.8	169.1	-16.5	0	0	0	0	112.2
534	P	39.1	Very low	31.9	Very low	114 Å²	114	138 Å²	138	74%	0.74	77%	0.774	S	S	*	*				-132.5	-175.9	-53.3	37.2	-20.7	0	0	0	112.8
535	Q	33.1	Very low	31.9	Very low	191 Å²	191	137.8 Å²	137.8	89%	0.893	77%	0.77	S	S	*	*				174.6	153.3	124.5	-97	-177	3.8	0	0	114.7
536	L	29.7	Very low	32.2	Very low	163 Å²	163	143.1 Å²	143.1	85%	0.853	78%	0.777	S	S	*	*			trans	-129.9	152.4	177.7	-130.3	90.1	0	0	0	109.5
537	P	35.1	Very low	32.2	Very low	123 Å²	123	142 Å²	142	80%	0.799	77%	0.769	S	S	*	*			trans	-116.2	157.9	163.3	34.4	-22.5	0	0	0	114.4
538	L	28.2	Very low	32.2	Very low	161 Å²	161	141.8 Å²	141.8	84%	0.843	77%	0.77	S	S	*	*			trans	-110.5	153.2	-176.2	-67.5	162.4	0	0	0	112.4
539	L	27.3	Very low	32.2	Very low	162 Å²	162	139.8 Å²	139.8	85%	0.848	77%	0.768	S	S	*	*			trans	169.2	152.5	138.1	-112.8	60.6	0	0	0	108.4
540	S	32.3	Very low	32.3	Very low	89 Å²	89	139.5 Å²	139.5	62%	0.622	78%	0.776	S	S	*	*			cis	-167.4	147.6	30.6	32.9	0	0	0	0	113.1
541	D	33.9	Very low	32.5	Very low	135 Å²	135	140 Å²	140	72%	0.722	78%	0.78	S	S	*	*			trans	60.5	148.2	137.1	-54.2	-17.6	0	0	0	122.5
542	M	30.9	Very low	32.9	Very low	145 Å²	145	137.8 Å²	137.8	71%	0.714	78%	0.776	S	S	*	*			cis	-169.5	138	-8.2	-113.3	164.6	72.4	0	0	114.6
543	I	31.3	Very low	33.3	Very low	137 Å²	137	135.5 Å²	135.5	70%	0.703	77%	0.771	S	S	*	*			trans	71.1	143.8	149.3	-40	169.8	0	0	0	122.7
544	I	32.7	Very low	33.4	Very low	141 Å²	141	136.6 Å²	136.6	72%	0.723	77%	0.774	S	S	*	*			trans	105.4	118.4	154.3	-55.9	-176.5	0	0	0	113.5
545	Q	33.4	Very low	33	Very low	166 Å²	166	136 Å²	136	78%	0.776	77%	0.772	S	S	*	*			cis	-154	159.5	0.4	-122	171.3	36.6	0	0	112.7
546	R	33.3	Very low	33.1	Very low	231 Å²	231	132.5 Å²	132.5	87%	0.872	77%	0.766	S	S	*	*			trans	-3.4	149.9	152.9	-70.8	174.9	174.8	-174.8	-3.6	119.7
547	S	34.3	Very low	33.4	Very low	94 Å²	94	130.4 Å²	130.4	66%	0.657	76%	0.762	S	S	*	*			cis	-177.7	151.9	3.7	41.3	0	0	0	0	112.4
548	S	33.7	Very low	33.5	Very low	108 Å²	108	129.9 Å²	129.9	76%	0.755	76%	0.759	S	S	*	*			trans	54.7	140.7	151.2	54	0	0	0	0	120.2
549	S	33.3	Very low	33.9	Very low	104 Å²	104	131.1 Å²	131.1	73%	0.727	76%	0.76	S	S	*	*			cis	-176.6	169.9	-0.1	44.2	0	0	0	0	110.9
550	S	35	Very low	34.1	Very low	122 Å²	122	131.3 Å²	131.3	85%	0.853	76%	0.757	S	S	*	*			trans	86.1	147.3	163.5	77.9	0	0	0	0	118.5
551	S	32.6	Very low	34.2	Very low	113 Å²	113	135.6 Å²	135.6	79%	0.79	76%	0.764	S	S	*	*			trans	-118.5	162.9	-152.3	-42	0	0	0	0	112.5
552	P	42.6	Very low	34.1	Very low	121 Å²	121	135.2 Å²	135.2	79%	0.786	76%	0.762	S	S	*	*			trans	-88.2	171.4	177.7	37.5	-36.6	0	0	0	112.9
553	P	37.9	Very low	34.2	Very low	115 Å²	115	133.6 Å²	133.6	75%	0.747	76%	0.756	S	S	*	*			trans	-140.4	128.1	142.1	32.9	-15.9	0	0	0	115.8
554	T	31.1	Very low	34.3	Very low	134 Å²	134	132.9 Å²	132.9	82%	0.822	75%	0.754	S	S	*	*				38.4	131.4	129.3	-2.2	0	0	0	0	123.7
555	S	31.4	Very low	33.9	Very low	101 Å²	101	132.4 Å²	132.4	71%	0.706	75%	0.753	S	S	*	*			trans	-51.4	166.9	158	56.3	0	0	0	0	114.9
556	P	35.7	Very low	33.5	Very low	117 Å²	117	131.2 Å²	131.2	76%	0.76	75%	0.752	S	S	*	*				-158.4	-153.2	73.2	40	-13	0	0	0	115
557	P	36.5	Very low	33.2	Very low	119 Å²	119	128.9 Å²	128.9	77%	0.773	75%	0.751	S	S	*	*				-135.8	-137.3	-73.7	49.8	-31.1	0	0	0	114
558	P	36.5	Very low	32.7	Very low	113 Å²	113	134.7 Å²	134.7	73%	0.734	76%	0.76	S	S	*	*			trans	-129.2	-175.9	-139.4	34.4	-7.6	0	0	0	116.9
559	Q	35.3	Very low	32.2	Very low	187 Å²	187	133.2 Å²	133.2	87%	0.874	75%	0.749	S	S	*	*			trans	-172.2	155.2	160	-104.5	164.1	47	0	0	109.1
560	Q	32.6	Very low	31.7	Very low	166 Å²	166	135.7 Å²	135.7	78%	0.776	75%	0.749	S	S	*	*			cis	176.6	157	-35.9	-147	-177.9	16.1	0	0	106
561	K	34.1	Very low	31.2	Very low	178 Å²	178	136 Å²	136	77%	0.774	74%	0.741	S	S	*	*			trans	90	138.6	171.7	-57.4	-179.7	178.5	178.4	0	118.9
562	N	32.7	Very low	30.8	Very low	127 Å²	127	135.5 Å²	135.5	68%	0.679	73%	0.733	S	S	*	*			cis	-166.3	143	-22	-112.4	15	0	0	0	110
563	N	32	Very low	29.9	Very low	112 Å²	112	137.8 Å²	137.8	60%	0.599	73%	0.733	S	S	*	*			trans	69	112.3	141	-65.9	57	0	0	0	123.5
564	D	32.6	Very low	29.4	Very low	121 Å²	121	140.5 Å²	140.5	65%	0.647	74%	0.741	S	S	*	*				81.8	101.4	115.9	-51.1	-11.9	0	0	0	122.4
565	N	25.3	Very low	29.2	Very low	132 Å²	132	141.1 Å²	141.1	71%	0.706	73%	0.734	S	S	*	*				83.9	124.7	114.4	-69.9	14.6	0	0	0	123.9
566	D	25	Very low	29	Very low	140 Å²	140	144.2 Å²	144.2	75%	0.749	74%	0.743	S	S	*	*			trans	89.1	141.6	133.2	-61.1	-23.9	0	0	0	123.2
567	E	27.9	Very low	28.5	Very low	183 Å²	183	142.4 Å²	142.4	86%	0.855	73%	0.733	S	S	*	*			trans	62.2	104.6	161.2	-70.5	-171.8	125.7	0	0	122.1
568	Y	23	Very low	28	Very low	216 Å²	216	144.6 Å²	144.6	85%	0.847	74%	0.738	S	S	*	*				55.8	149.1	109.3	-148.8	-98.8	0	0	0	121.1
569	C	22.3	Very low	27.5	Very low	77 Å²	77	143.7 Å²	143.7	52%	0.52	73%	0.734	S	S	.	*			trans	80.1	119.1	169.9	-99.7	0	0	0	0	119.3
570	Q	23.8	Very low	27	Very low	156 Å²	156	144.4 Å²	144.4	73%	0.729	73%	0.734	S	S	*	*				57.2	108.2	120.7	-71	178	-10.5	0	0	118.9
571	N	23.3	Very low	26.8	Very low	128 Å²	128	143.5 Å²	143.5	68%	0.684	73%	0.734	S	S	*	*				159.4	159.5	92.5	-89.2	-29.4	0	0	0	114.2
572	T	24.3	Very low	26.4	Very low	103 Å²	103	142.3 Å²	142.3	63%	0.632	74%	0.735	S	S	*	*			trans	52.9	105.2	145.2	52.5	0	0	0	0	118.4
573	E	24.3	Very low	26	Very low	169 Å²	169	141.4 Å²	141.4	79%	0.79	73%	0.731	S	S	*	*				90.9	110.6	87.5	-82.1	172.8	178.2	0	0	112
574	L	27.9	Very low	25.7	Very low	171 Å²	171	143.7 Å²	143.7	90%	0.895	74%	0.743	S	S	*	*			trans	-137.3	105.8	143	-95.3	176.5	0	0	0	109.3
575	H	26.8	Very low	25.4	Very low	148 Å²	148	147.4 Å²	147.4	69%	0.685	75%	0.749	S	S	*	*			trans	-12.2	130.9	161.8	-69.3	-93.4	0	0	0	117.3
576	N	27.8	Very low	25.6	Very low	166 Å²	166	148.8 Å²	148.8	89%	0.888	76%	0.756	S	S	*	*				-145.6	105.5	112.9	-131	-10.6	0	0	0	112.1
577	S	24	Very low	25.6	Very low	79 Å²	79	147.7 Å²	147.7	55%	0.552	76%	0.759	S	S	*	*			trans	-76.5	135.2	174.4	-36.9	0	0	0	0	109.5
578	N	26.2	Very low	25.6	Very low	164 Å²	164	144.5 Å²	144.5	88%	0.877	76%	0.757	S	S	*	*			trans	-172.8	143.7	130.6	-99.4	-33.4	0	0	0	116.7
579	S	26.2	Very low	26	Very low	95 Å²	95	142.4 Å²	142.4	66%	0.664	76%	0.755	S	S	*	*			trans	69.3	95.6	146.1	-155.3	0	0	0	0	121.3	I581	S579-I581 PolarHBondContact O-N 3.5Å
580	K	25.3	Very low	26.2	Very low	201 Å²	201	145.4 Å²	145.4	87%	0.874	77%	0.765	S	S	*	*			trans	-33.2	123.5	141.7	-59.2	164.6	175.7	174.7	0	113.3
581	I	27.5	Very low	26.3	Very low	148 Å²	148	144.8 Å²	144.8	76%	0.759	77%	0.766	S	S	*	*			trans	-143	96.9	151.8	-57	-176.2	0	0	0	105.6	S579	S579-I581 PolarHBondContact O-N 3.5Å
582	N	26.2	Very low	26.6	Very low	152 Å²	152	147.7 Å²	147.7	81%	0.813	78%	0.775	S	S	*	*				66.3	124.6	95.3	-104.8	15	0	0	0	114.9
583	D	25	Very low	26.9	Very low	109 Å²	109	151.1 Å²	151.1	58%	0.583	79%	0.788	S	S	*	*	S	Bend	trans	-57	163.5	163.1	-62	-91.7	0	0	0	111.8	R764	D583-R764 IonicContact OD1-NH1 3.28Å; D583-R764 PolarHBondContact OD1-NH1 3.34Å
584	N	26	Very low	27.1	Very low	160 Å²	160	149.7 Å²	149.7	86%	0.856	79%	0.785	S	S	*	*			trans	92.4	88.9	-180	-52.2	-42.4	0	0	0	116.2
585	Y	26.5	Very low	27.1	Very low	198 Å²	198	147.4 Å²	147.4	78%	0.776	77%	0.774	S	S	*	*			trans	-149.3	69	157.6	-142.9	-87.3	0	0	0	113.6	Q589	Y585-Q589 PolarHBondContact OH-NE2 3.45Å
586	L	28.3	Very low	27.3	Very low	162 Å²	162	147.4 Å²	147.4	85%	0.848	78%	0.779	S	S	*	*	S	Bend	trans	-163.6	69.9	135.2	-147.4	68.9	0	0	0	111.9
587	S	25	Very low	27.5	Very low	117 Å²	117	146.3 Å²	146.3	82%	0.818	77%	0.773	S	S	*	*	S	Bend	trans	-154.1	137.1	160.2	-77.8	0	0	0	0	107.9
588	S	28	Very low	27.8	Very low	115 Å²	115	147.7 Å²	147.7	80%	0.804	78%	0.779	S	S	*	*			trans	70.2	83.2	-176.8	-54.6	0	0	0	0	116.9
589	Q	31.6	Very low	27.8	Very low	172 Å²	172	147 Å²	147	80%	0.804	78%	0.775	S	S	*	*			trans	-113.6	96.8	131.1	-76.4	-165.1	18.3	0	0	108.5	Y585	Y585-Q589 PolarHBondContact OH-NE2 3.45Å
590	I	25.6	Very low	27.9	Very low	141 Å²	141	149 Å²	149	72%	0.723	78%	0.783	S	S	*	*			trans	-119	143.9	165	-78.1	176.7	0	0	0	105.9
591	N	26.7	Very low	27.9	Very low	142 Å²	142	146.6 Å²	146.6	76%	0.759	78%	0.78	S	S	*	*			trans	72.7	91.6	178.3	-56.7	-27.8	0	0	0	117
592	H	28.6	Very low	28	Very low	189 Å²	189	147.5 Å²	147.5	88%	0.875	79%	0.785	S	S	*	*				-158.1	98.2	124.5	-102.4	-69.9	0	0	0	110.7
593	I	31.1	Very low	28.1	Very low	175 Å²	175	148.2 Å²	148.2	90%	0.897	78%	0.783	S	S	*	*			trans	-174.1	110.6	135.7	-90.1	149	0	0	0	104.3
594	N	29.9	Very low	28.3	Very low	139 Å²	139	149.9 Å²	149.9	74%	0.743	79%	0.792	S	S	*	*			trans	-116.2	142.4	-177.1	-142.8	2.8	0	0	0	107.9
595	N	27.2	Very low	28.4	Very low	124 Å²	124	149.1 Å²	149.1	66%	0.663	79%	0.788	S	S	*	*			trans	62	113.5	166.2	-57	-25.4	0	0	0	118.2
596	N	30.4	Very low	28.5	Very low	147 Å²	147	148.2 Å²	148.2	79%	0.786	79%	0.791	S	S	*	*				-169.6	162.2	89	-92.9	-37.5	0	0	0	113.5
597	N	32.1	Very low	28.6	Very low	143 Å²	143	145.7 Å²	145.7	77%	0.765	78%	0.784	S	S	*	*			trans	85.8	55.4	165.6	-56.6	-12.1	0	0	0	119.3
598	T	29.6	Very low	28.6	Very low	109 Å²	109	148 Å²	148	67%	0.669	79%	0.786	S	S	*	*				19.9	138	117.2	60.3	0	0	0	0	121.7
599	N	27	Very low	28.3	Very low	148 Å²	148	149.9 Å²	149.9	79%	0.791	79%	0.785	S	S	*	*			trans	72	131.3	150.1	-53.9	-19.6	0	0	0	116.3
600	T	29.3	Very low	28	Very low	137 Å²	137	149.3 Å²	149.3	84%	0.84	79%	0.787	S	S	*	*			cis	-150.5	159	35.8	39.7	0	0	0	0	114.2
601	N	25.1	Very low	27.9	Very low	151 Å²	151	149.6 Å²	149.6	81%	0.807	79%	0.789	S	S	*	*			trans	-64.5	155.8	172.2	-61.4	-46.2	0	0	0	113.8
602	I	28.6	Very low	28	Very low	168 Å²	168	147.1 Å²	147.1	86%	0.862	78%	0.783	S	S	*	*				-176	140.3	112.1	-90.1	152.9	0	0	0	110.7
603	H	28.6	Very low	27.9	Very low	167 Å²	167	146 Å²	146	77%	0.773	78%	0.776	S	S	*	*			trans	-66	140.6	175.4	-100.5	-101.8	0	0	0	113.4
604	N	29.3	Very low	27.7	Very low	143 Å²	143	143 Å²	143	77%	0.765	77%	0.771	S	S	*	*				171.4	129.6	114.9	-88	-17.1	0	0	0	113.8
605	D	29	Very low	27.4	Very low	145 Å²	145	143.4 Å²	143.4	78%	0.775	77%	0.772	S	S	*	*			trans	26.9	134.1	145.3	-61	-22.2	0	0	0	124.1
606	Q	28.4	Very low	27.4	Very low	179 Å²	179	143.5 Å²	143.5	84%	0.836	78%	0.782	S	S	*	*			trans	83.4	145.8	155.7	-66.6	-77.6	-50.2	0	0	118.6
607	P	29.1	Very low	27.1	Very low	109 Å²	109	141.2 Å²	141.2	71%	0.708	78%	0.778	S	S	*	*			trans	-105.9	130.2	-150.9	37	-29.4	0	0	0	114.1
608	I	24.7	Very low	26.9	Very low	166 Å²	166	140.6 Å²	140.6	85%	0.851	79%	0.785	S	S	*	*			trans	-137.2	141.9	169.9	-59.8	-177.2	0	0	0	110.1
609	I	22.4	Very low	26.6	Very low	154 Å²	154	141.1 Å²	141.1	79%	0.79	79%	0.788	S	S	*	*			trans	-55.6	140.3	176.5	-61.6	153.7	0	0	0	111.6
610	L	26.2	Very low	26.7	Very low	160 Å²	160	142.4 Å²	142.4	84%	0.838	79%	0.793	S	S	*	*			trans	-152.1	108.7	154.3	-106.7	163.8	0	0	0	111
611	N	23	Very low	26.7	Very low	146 Å²	146	140.3 Å²	140.3	78%	0.781	78%	0.78	S	S	*	*			trans	-85.1	134.3	159.3	-90.9	-16.6	0	0	0	108.2
612	S	29.1	Very low	26.8	Very low	90 Å²	90	142.1 Å²	142.1	63%	0.629	78%	0.781	S	S	*	*			trans	-165.8	111.8	154.7	53.1	0	0	0	0	112.4
613	F	25.7	Very low	26.9	Very low	167 Å²	167	138.3 Å²	138.3	73%	0.732	77%	0.774	S	S	*	*				55.5	151.9	127.4	-58.8	-68.7	0	0	0	119.7	L163	L163-F613 HydrophobicContact CD2-CZ 4.15Å
614	S	27	Very low	26.7	Very low	111 Å²	111	137 Å²	137	78%	0.776	77%	0.773	S	S	*	*			cis	-149	146.5	28.3	50.7	0	0	0	0	114.1
615	L	24.2	Very low	26.7	Very low	148 Å²	148	137 Å²	137	78%	0.775	78%	0.778	S	S	*	*			trans	-79.2	153.6	162.1	-73.1	80	0	0	0	110.4
616	S	26.6	Very low	26.4	Very low	126 Å²	126	136.5 Å²	136.5	88%	0.881	78%	0.775	S	S	*	*			trans	-101.4	136.2	150.9	50.4	0	0	0	0	109.3
617	S	24.8	Very low	26.3	Very low	98 Å²	98	134.4 Å²	134.4	69%	0.685	77%	0.774	S	S	*	*			trans	-121.3	144	-177.7	-61.9	0	0	0	0	110.4
618	S	27.6	Very low	26	Very low	130 Å²	130	132.7 Å²	132.7	91%	0.909	78%	0.777	S	S	*	*			trans	-126.4	121.5	167.5	-61.6	0	0	0	0	109.9
619	T	24.1	Very low	26	Very low	120 Å²	120	130.5 Å²	130.5	74%	0.736	77%	0.771	S	S	*	*			trans	-110	136.9	-169	51.7	0	0	0	0	112.6
620	I	28.2	Very low	26	Very low	175 Å²	175	129.7 Å²	129.7	90%	0.897	77%	0.773	S	S	*	*			trans	-137.6	131.5	150.4	-63.8	-171.7	0	0	0	111.3
621	T	28.3	Very low	26	Very low	94 Å²	94	130.6 Å²	130.6	58%	0.577	78%	0.775	S	S	*	*			trans	-97.6	153.6	177.3	72.6	0	0	0	0	110.5
622	K	28.9	Very low	26.2	Very low	189 Å²	189	133.5 Å²	133.5	82%	0.822	78%	0.781	S	S	*	*			cis	-164.8	-177.8	39	-122.3	135.9	-147.3	145.5	0	108.1
623	A	29.1	Very low	26	Very low	87 Å²	87	134.6 Å²	134.6	72%	0.719	79%	0.789	S	S	*	*			cis	-149.9	157.6	8.4	0	0	0	0	0	110.3
624	N	25	Very low	26	Very low	139 Å²	139	135.5 Å²	135.5	74%	0.743	80%	0.797	S	S	*	*			trans	-76	147.6	179.4	-58.6	12.1	0	0	0	113.3
625	V	28.8	Very low	25.9	Very low	144 Å²	144	135.4 Å²	135.4	87%	0.873	79%	0.794	S	S	*	*			trans	-138.1	113.1	135.8	-179.6	0	0	0	0	108.1
626	D	23	Very low	25.8	Very low	135 Å²	135	135.6 Å²	135.6	72%	0.722	80%	0.801	S	S	*	*			trans	-77.1	134.3	176.8	-76	-67.1	0	0	0	112.5
627	V	27.2	Very low	25.8	Very low	134 Å²	134	135.1 Å²	135.1	81%	0.812	80%	0.798	S	S	*	*			trans	-139.7	97.4	148.3	-176	0	0	0	0	108.4
628	G	22.5	Very low	25.8	Very low	74 Å²	74	136.4 Å²	136.4	76%	0.763	81%	0.807	S	S	*	*			trans	-81	132	176.4	0	0	0	0	0	112.5
629	V	25.6	Very low	25.8	Very low	120 Å²	120	133.5 Å²	133.5	73%	0.727	80%	0.797	S	S	*	*			trans	-133.3	109	158.8	-178.7	0	0	0	0	109.1	M631	V629-M631 HydrophobicContact CG1-CG 4.41Å
630	T	21	Very low	25.8	Very low	137 Å²	137	134 Å²	134	84%	0.84	81%	0.806	S	S	*	*			trans	-82.1	135.4	165.2	52.6	0	0	0	0	109.2
631	M	26.7	Very low	25.6	Very low	179 Å²	179	132.7 Å²	132.7	88%	0.882	80%	0.799	S	S	*	*			trans	-139.6	121.8	156.2	-77.4	-150.1	-175.7	0	0	111.3	V629	V629-M631 HydrophobicContact CG1-CG 4.41Å
632	K	27.9	Very low	25.3	Very low	206 Å²	206	134.3 Å²	134.3	90%	0.896	81%	0.808	S	S	*	*			trans	-75.3	146.7	170	-72.9	174.9	175.5	172	0	109.8
633	S	23.3	Very low	25.2	Very low	114 Å²	114	132.7 Å²	132.7	80%	0.797	81%	0.807	S	S	*	*			trans	-52.9	134.4	173.5	53.1	0	0	0	0	114.2
634	M	25.9	Very low	24.8	Very low	185 Å²	185	133.6 Å²	133.6	91%	0.911	80%	0.804	S	S	*	*			trans	-167.6	169.4	146.4	-109.5	-176.1	170	0	0	111.2
635	P	24.8	Very low	24.8	Very low	109 Å²	109	132.2 Å²	132.2	71%	0.708	81%	0.805	S	S	*	*				-114.4	175.5	-123.3	39.2	-27.5	0	0	0	116.8	S637	P635-S637 PolarHBondContact O-N 3.49Å
636	V	22.5	Very low	24.7	Very low	152 Å²	152	132.8 Å²	132.8	92%	0.921	80%	0.803	S	S	*	*			trans	-28	119.8	174.3	-99.9	0	0	0	0	117
637	S	27.2	Very low	25	Very low	116 Å²	116	132.8 Å²	132.8	81%	0.811	81%	0.808	S	S	*	*			trans	-155.5	137.7	149.6	-177	0	0	0	0	109.2	P635	P635-S637 PolarHBondContact O-N 3.49Å
638	S	25	Very low	25	Very low	125 Å²	125	133.1 Å²	133.1	87%	0.874	81%	0.805	S	S	*	*			trans	-75.7	122.7	-176.5	49.7	0	0	0	0	112.5
639	G	27.3	Very low	25.2	Very low	69 Å²	69	136.1 Å²	136.1	71%	0.711	80%	0.804	S	S	*	*			trans	-177.6	121.5	170.8	0	0	0	0	0	112.2
640	S	23.3	Very low	25.4	Very low	130 Å²	130	136.8 Å²	136.8	91%	0.909	80%	0.803	S	S	*	*			trans	-72.7	131.7	-178.4	-48.4	0	0	0	0	111.9
641	I	23.6	Very low	25.9	Very low	149 Å²	149	137.2 Å²	137.2	76%	0.764	80%	0.801	S	S	*	*			trans	-132.7	129	167.9	-61.6	-178	0	0	0	109.2	I643	I641-I643 HydrophobicContact CG2-CG1 4.14Å
642	V	22.6	Very low	26.1	Very low	127 Å²	127	135.6 Å²	135.6	77%	0.77	80%	0.795	S	S	*	*			trans	-92.5	131.9	174.7	174.3	0	0	0	0	108.6	T644	V642-T644 HydrophobicContact CG1-CG2 4.32Å
643	I	26	Very low	26.4	Very low	155 Å²	155	132.8 Å²	132.8	80%	0.795	79%	0.79	S	S	*	*			trans	-134.1	128.9	167	-55.6	-177.8	0	0	0	108.6	I641	I641-I643 HydrophobicContact CG2-CG1 4.14Å
644	T	22.7	Very low	26.7	Very low	107 Å²	107	134 Å²	134	66%	0.656	79%	0.787	S	S	*	*			trans	-109.3	164.8	-177.4	50.4	0	0	0	0	111.9	V642	V642-T644 HydrophobicContact CG1-CG2 4.32Å
645	S	24.4	Very low	26.9	Very low	110 Å²	110	132.1 Å²	132.1	77%	0.769	78%	0.781	S	S	*	*			trans	76.4	153.3	163.6	-40.2	0	0	0	0	114.8
646	N	26.6	Very low	27.2	Very low	155 Å²	155	136.2 Å²	136.2	83%	0.829	79%	0.788	S	S	*	*			cis	-151.1	131.3	8.9	-151.7	15.6	0	0	0	109.4
647	V	29.1	Very low	27.1	Very low	135 Å²	135	134.9 Å²	134.9	82%	0.818	78%	0.78	S	S	*	*			trans	-99.6	113.7	173.4	178.8	0	0	0	0	109	N649	V647-N649 PolarHBondContact O-N 2.88Å
648	N	27.9	Very low	27.1	Very low	141 Å²	141	137.1 Å²	137.1	75%	0.754	78%	0.781	S	S	*	*			trans	-85.4	108.3	173.7	-174.6	18.2	0	0	0	109.4
649	N	26.6	Very low	27	Very low	138 Å²	138	136.9 Å²	136.9	74%	0.738	78%	0.775	S	S	*	*			trans	-115.3	92	179.7	-165.8	19.1	0	0	0	110.6	V647 N651	V647-N649 PolarHBondContact O-N 2.88Å; N649-N651 PolarHBondContact O-N 3.46Å
650	N	28.7	Very low	27	Very low	134 Å²	134	139.4 Å²	139.4	72%	0.717	78%	0.782	S	S	*	*			trans	-88.1	96.3	168.6	-90.2	-10.4	0	0	0	109.4
651	N	32.7	Very low	27	Very low	146 Å²	146	139.7 Å²	139.7	78%	0.781	78%	0.778	S	S	*	*			trans	-168	130.2	130.2	-96	-25.8	0	0	0	111.9	N649	N649-N651 PolarHBondContact O-N 3.46Å
652	N	31.2	Very low	27.3	Very low	144 Å²	144	137.4 Å²	137.4	77%	0.77	78%	0.781	S	S	*	*			trans	-49.8	128	-175.1	-53.3	-38.7	0	0	0	114
653	N	33.1	Very low	27.6	Very low	147 Å²	147	138.7 Å²	138.7	79%	0.786	78%	0.784	S	S	*	*				-175.5	106.6	119.7	-88.6	-25.4	0	0	0	111.9
654	N	30.4	Very low	27.5	Very low	139 Å²	139	136.5 Å²	136.5	74%	0.743	78%	0.777	S	S	*	*			trans	43.2	110.7	147.4	-55.9	-5.7	0	0	0	121.1
655	D	29.1	Very low	27.7	Very low	146 Å²	146	139.1 Å²	139.1	78%	0.781	79%	0.785	S	S	*	*				95	127.3	127.7	-66.3	-20.3	0	0	0	123.1
656	K	30.7	Very low	27.7	Very low	195 Å²	195	140.8 Å²	140.8	85%	0.848	79%	0.785	S	S	*	*			trans	79.8	80	156.3	-68.2	171.8	-175.4	173.7	0	119
657	V	22	Very low	27.9	Very low	125 Å²	125	141.7 Å²	141.7	76%	0.758	78%	0.784	S	S	*	*			trans	-75.7	135.3	150.7	175.5	0	0	0	0	110.3	T659	V657-T659 HydrophobicContact CG1-CG2 3.91Å
658	I	27.1	Very low	27.6	Very low	162 Å²	162	143.6 Å²	143.6	83%	0.831	79%	0.786	S	S	*	*			trans	-130.2	111.1	158.2	-60.7	179.5	0	0	0	107.9
659	T	23	Very low	27.5	Very low	121 Å²	121	141.3 Å²	141.3	74%	0.742	78%	0.779	S	S	*	*			trans	-98.5	136	172.7	47.7	0	0	0	0	110.4	V657	V657-T659 HydrophobicContact CG1-CG2 3.91Å
660	S	26.4	Very low	27.5	Very low	122 Å²	122	141.5 Å²	141.5	85%	0.853	79%	0.786	S	S	*	*			trans	-142.1	126.1	164.8	-154.2	0	0	0	0	110.5
661	T	24.4	Very low	27.5	Very low	136 Å²	136	141 Å²	141	83%	0.834	78%	0.782	S	S	*	*			trans	-99.4	132.6	-173.4	48.9	0	0	0	0	111.5
662	A	29	Very low	27.2	Very low	100 Å²	100	139.3 Å²	139.3	83%	0.826	77%	0.77	S	S	*	*			trans	-138.8	141.6	167.9	0	0	0	0	0	111
663	N	27.9	Very low	27.2	Very low	155 Å²	155	140.9 Å²	140.9	83%	0.829	77%	0.773	S	S	*	*			trans	-88.9	126.7	-164.8	-71.9	-40.3	0	0	0	114.3
664	V	24.7	Very low	27	Very low	109 Å²	109	138.7 Å²	138.7	66%	0.661	77%	0.765	S	S	*	*			trans	29.8	105.3	130.4	-165.9	0	0	0	0	118.2	L666	V664-L666 HydrophobicContact CG1-CD1 4.37Å; V664-L666 HydrophobicContact CG1-CG 3.8Å
665	I	26	Very low	27	Very low	161 Å²	161	139.3 Å²	139.3	83%	0.826	77%	0.768	S	S	*	*			trans	-121.7	112.2	137.3	-64.1	179.6	0	0	0	106.2	Q667	I665-Q667 PolarHBondContact O-N 3.23Å; I665-Q667 VanDerWaalsContact O-N 3.16Å
666	L	26.1	Very low	26.9	Very low	145 Å²	145	140.1 Å²	140.1	76%	0.759	77%	0.772	S	S	*	*			trans	-79.2	99.1	-177.3	-76.5	172.2	0	0	0	111.3	V664	V664-L666 HydrophobicContact CG1-CD1 4.37Å; V664-L666 HydrophobicContact CG1-CG 3.8Å
667	Q	31	Very low	27	Very low	174 Å²	174	137.8 Å²	137.8	81%	0.813	77%	0.767	S	S	*	*			trans	-99.4	116.7	158.7	-146.9	159.1	-36	0	0	106.9	I665 P669	I665-Q667 PolarHBondContact O-N 3.23Å; I665-Q667 VanDerWaalsContact O-N 3.16Å; Q667-P669 WeakPolarHBondContact O-CD 3.45Å
668	M	21.5	Very low	27.2	Very low	175 Å²	175	136.3 Å²	136.3	86%	0.862	77%	0.768	S	S	*	*			trans	-58.1	114	-168.3	-73.9	-75.3	172.6	0	0	112.4
669	P	26.8	Very low	27.1	Very low	93 Å²	93	132.5 Å²	132.5	60%	0.604	75%	0.754	S	S	*	*			trans	-85	139.3	172.2	-1.3	21.1	0	0	0	110.1	Q667 I671	Q667-P669 WeakPolarHBondContact O-CD 3.45Å; P669-I671 VanDerWaalsContact C-N 3.31Å; P669-I671 HydrophobicContact CB-CG1 4.11Å; P669-I671 HydrophobicContact CG-CG1 4.49Å; P669-I671 PolarHBondContact O-N 2.95Å
670	T	25	Very low	27.6	Very low	143 Å²	143	132.7 Å²	132.7	88%	0.877	76%	0.758	S	S	*	*			trans	-70.3	86.6	163.6	42.8	0	0	0	0	109.5	M672	T670-M672 PolarHBondContact O-N 2.9Å
671	I	30.6	Very low	27.5	Very low	124 Å²	124	133.6 Å²	133.6	64%	0.636	75%	0.753	S	S	*	*			trans	-73.6	111.2	-176.2	-65.4	176.9	0	0	0	110.9	P669	P669-I671 VanDerWaalsContact C-N 3.31Å; P669-I671 HydrophobicContact CB-CG1 4.11Å; P669-I671 HydrophobicContact CG-CG1 4.49Å; P669-I671 PolarHBondContact O-N 2.95Å
672	M	26.2	Very low	27.7	Very low	109 Å²	109	133.4 Å²	133.4	54%	0.537	75%	0.747	S	S	.	*			trans	-64.7	135.5	157.8	-62.2	-102.1	-154.3	0	0	109.3	T670	T670-M672 PolarHBondContact O-N 2.9Å
673	H	29.4	Very low	27.6	Very low	178 Å²	178	135.1 Å²	135.1	82%	0.824	74%	0.742	S	S	*	*			trans	-99	86.8	160	-79.9	161.9	0	0	0	110.1	N675	H673-N675 PolarHBondContact O-N 3.12Å
674	T	30.4	Very low	27.5	Very low	101 Å²	101	132.6 Å²	132.6	62%	0.62	73%	0.729	S	S	*	*			trans	-77.2	91.8	161.5	44.7	0	0	0	0	109.6
675	N	29.4	Very low	27.8	Very low	151 Å²	151	131.7 Å²	131.7	81%	0.807	73%	0.727	S	S	*	*			trans	-102.1	79.8	157.6	-83.8	-12.7	0	0	0	108.6	H673 I677	H673-N675 PolarHBondContact O-N 3.12Å; N675-I677 VanDerWaalsContact C-N 3.3Å; N675-I677 PolarHBondContact O-N 2.73Å
676	L	28.4	Very low	28	Very low	164 Å²	164	128.4 Å²	128.4	86%	0.859	71%	0.711	S	S	*	*			trans	-70.1	89	161.9	-84.4	152.8	0	0	0	108.2
677	I	31.5	Very low	28.1	Very low	145 Å²	145	127.3 Å²	127.3	74%	0.744	71%	0.706	S	S	*	*			trans	-103.1	108.8	154	-62.5	179.5	0	0	0	105.6	N675 C679	N675-I677 VanDerWaalsContact C-N 3.3Å; N675-I677 PolarHBondContact O-N 2.73Å; I677-C679 PolarHBondContact O-N 3.01Å
678	A	26.6	Very low	28	Very low	94 Å²	94	125.9 Å²	125.9	78%	0.777	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-62.1	119.7	174.2	0	0	0	0	0	109.1
679	C	25.7	Very low	28.5	Very low	82 Å²	82	124.5 Å²	124.5	55%	0.554	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-89.5	144.2	152	-59.8	0	0	0	0	106.3	I677	I677-C679 PolarHBondContact O-N 3.01Å
680	P	31.9	Very low	28.7	Very low	125 Å²	125	127.6 Å²	127.6	81%	0.812	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-59.4	146.2	-168.1	-23.1	33.5	0	0	0	112.8	N682	P680-N682 PolarHBondContact O-N 3.49Å; P680-N682 VanDerWaalsContact O-N 3.12Å
681	N	26.2	Very low	29.1	Very low	141 Å²	141	126.8 Å²	126.8	75%	0.754	71%	0.706	S	S	*	*			trans	-57.1	115.5	154.7	-89.6	-1.2	0	0	0	107.1
682	N	28.8	Very low	29.2	Very low	133 Å²	133	127.8 Å²	127.8	71%	0.711	71%	0.713	S	S	*	*			trans	-99	92.6	148.7	-170	14.9	0	0	0	107.1	P680 N684	P680-N682 PolarHBondContact O-N 3.49Å; P680-N682 VanDerWaalsContact O-N 3.12Å; N682-N684 PolarHBondContact O-N 2.85Å
683	N	25.7	Very low	29.6	Very low	135 Å²	135	127.5 Å²	127.5	72%	0.722	71%	0.709	S	S	*	*			trans	-76.5	76.7	164.4	-71.3	-1.8	0	0	0	107.1
684	N	26.7	Very low	29.7	Very low	103 Å²	103	126.3 Å²	126.3	55%	0.551	70%	0.698	S	S	*	*			trans	-156.5	110.2	163.2	-121.6	1.1	0	0	0	108.8	N682	N682-N684 PolarHBondContact O-N 2.85Å
685	S	30.2	Very low	29.7	Very low	90 Å²	90	132.3 Å²	132.3	63%	0.629	71%	0.711	S	S	*	*			trans	-149.3	42.5	-179.7	-174.6	0	0	0	0	111.8	N687	S685-N687 PolarHBondContact O-N 3Å
686	N	31.2	Very low	30	Very low	91 Å²	91	129.6 Å²	129.6	49%	0.487	70%	0.703	S	S	.	*			trans	-57.8	126	158.8	-73.3	-4.2	0	0	0	108.9
687	N	28.2	Very low	30.2	Very low	122 Å²	122	129.8 Å²	129.8	65%	0.652	71%	0.705	S	S	*	*	S	Bend	trans	58.7	157.8	156.6	-73.9	-49.3	0	0	0	121	S685	S685-N687 PolarHBondContact O-N 3Å
688	N	28.4	Very low	30.7	Very low	144 Å²	144	128 Å²	128	77%	0.77	71%	0.705	S	S	*	*			trans	81.3	30.9	164	-53.6	-35.8	0	0	0	120.3	N690	N688-N690 PolarHBondContact O-N 3.31Å
689	N	31.3	Very low	31.6	Very low	147 Å²	147	130.2 Å²	130.2	79%	0.786	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	47.8	167.7	-81	-51.6	0	0	0	114.7
690	N	30.5	Very low	32.7	Very low	157 Å²	157	131.3 Å²	131.3	84%	0.84	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123	14.8	167.7	-158	18.3	0	0	0	113.8	N688	N688-N690 PolarHBondContact O-N 3.31Å
691	V	35.1	Very low	33.6	Very low	126 Å²	126	129.4 Å²	129.4	76%	0.764	70%	0.696	S	S	*	*	S	Bend	trans	-138.1	71.9	168.3	-167.7	0	0	0	0	111.2
692	N	32	Very low	34.6	Very low	146 Å²	146	132.2 Å²	132.2	78%	0.781	70%	0.696	S	S	*	*			trans	-154.7	42	156.2	-102.2	-40	0	0	0	112.2
693	K	34.8	Very low	37	Very low	103 Å²	103	133.2 Å²	133.2	45%	0.448	69%	0.69	S	S	.	*			trans	-83.6	124.9	162.5	-163.9	-176	-175.1	-165.2	0	105.8	E208	E208-K693 IonicContact OE2-NZ 2.63Å; E208-K693 PolarHBondContact OE2-NZ 2.81Å
694	Y	30.8	Very low	39.9	Very low	152 Å²	152	131.2 Å²	131.2	60%	0.596	67%	0.673	S	S	*	*	S	Bend	trans	87	62.8	178.2	-51.6	-73	0	0	0	120.2	L205	L205-Y694 WeakPolarHBondContact CD2-OH 2.99Å
695	Y	31.5	Very low	42.8	Very low	228 Å²	228	131 Å²	131	89%	0.894	67%	0.671	S	S	*	*			trans	-172.1	141.3	143.8	-109.3	-86.5	0	0	0	105.3
696	C	34.2	Very low	45.8	Very low	93 Å²	93	126.8 Å²	126.8	63%	0.628	64%	0.641	S	S	*	*			cis	-146	136.9	3.2	-175	0	0	0	0	108.8	S698	C696-S698 PolarHBondContact O-N 3.48Å
697	D	34	Very low	48.6	Very low	168 Å²	168	131 Å²	131	90%	0.898	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	33.3	-167.1	-133.7	-1.1	0	0	0	114.3
698	S	41.2	Very low	51.4	Low	108 Å²	108	130.3 Å²	130.3	76%	0.755	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.3	4.2	-168.2	-68.4	0	0	0	0	117.8	C696	C696-S698 PolarHBondContact O-N 3.48Å
699	I	45.5	Very low	54.4	Low	140 Å²	140	126.3 Å²	126.3	72%	0.718	63%	0.63	S	S	*	*	S	Bend	trans	-124.2	134.2	170.9	-59.3	176.7	0	0	0	107.6	P701	I699-P701 WeakPolarHBondContact O-CD 3.23Å
700	P	48	Very low	57.1	Low	105 Å²	105	121.8 Å²	121.8	68%	0.682	62%	0.617	S	S	*	*			trans	-61.3	111.7	-179.2	-19.3	31.2	0	0	0	109.8	R702	P700-R702 PolarHBondContact O-N 3.35Å
701	P	52	Low	59.8	Low	85 Å²	85	117 Å²	117	55%	0.552	59%	0.594	S	S	*	*			trans	-66.7	135.8	-177.8	27.8	-33.8	0	0	0	108.2	I699 R703	I699-P701 WeakPolarHBondContact O-CD 3.23Å; P701-R703 WeakPolarHBondContact O-CG 3.31Å; P701-R703 PolarHBondContact O-N 3.36Å
702	R	46.6	Very low	62.3	Low	201 Å²	201	113.9 Å²	113.9	76%	0.758	58%	0.577	S	S	*	*			trans	-42.5	101.9	-174.7	-64.3	179	177.3	-149.9	-0.6	110.8	P700	P700-R702 PolarHBondContact O-N 3.35Å
703	R	79.9	Confident	65	Low	153 Å²	153	109.3 Å²	109.3	58%	0.577	55%	0.551	S	S	*	*			trans	-87.8	128.9	-173.5	-56.9	-167.6	-174.7	-158.3	2.4	110.3	P701 I705	P701-R703 WeakPolarHBondContact O-CG 3.31Å; P701-R703 PolarHBondContact O-N 3.36Å; R703-I705 HydrophobicContact CB-CG1 4.39Å; R703-I705 PolarHBondContact O-N 3.04Å
704	Y	87	Confident	67.5	Low	94 Å²	94	115.2 Å²	115.2	37%	0.369	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.8	105.5	173.5	-66.1	-83.5	0	0	0	108.7	F713 N716	Y704-F713 PolarHBondContact N-O 2.85Å; Y704-F713 PolarHBondContact O-N 3.5Å; Y704-N716 HydrophobicContact CD1-CB 3.83Å; Y704-N716 WeakPolarHBondContact CD1-ND2 3.36Å; Y704-N716 HydrophobicContact CD2-CB 4.27Å; Y704-N716 VanDerWaalsContact CD2-N 3.26Å; Y704-N716 HydrophobicContact CE1-CB 3.62Å; Y704-N716 WeakPolarHBondContact CE1-ND2 3.35Å; Y704-N716 HydrophobicContact CE2-CB 4.06Å; Y704-N716 HydrophobicContact CG-CB 4.14Å
705	I	87.5	Confident	70	Confident	98 Å²	98	112.9 Å²	112.9	50%	0.503	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.3	129.5	-175.1	-57.3	172.8	0	0	0	109.7	R703 R707 T711	R703-I705 HydrophobicContact CB-CG1 4.39Å; R703-I705 PolarHBondContact O-N 3.04Å; I705-R707 PolarHBondContact O-N 3.01Å; I705-T711 WeakPolarHBondContact CA-O 3.35Å
706	C	91.9	Very high	72.7	Confident	1 Å²	1	104.8 Å²	104.8	1%	0.007	54%	0.537	C	S	.	.			trans	-69	121.2	168.7	179.2	0	0	0	0	110	D708 C709 G710 T711 L719 H722 H727	C706-D708 PolarHBondContact O-N 2.73Å; C706-D708 PolarHBondContact SG-N 2.79Å; C706-D708 VanDerWaalsContact SG-N 3.44Å; C706-C709 VanDerWaalsContact SG-SG 3.64Å; C706-G710 WeakPolarHBondContact O-CA 3.18Å; C706-G710 PolarHBondContact O-N 3.42Å; C706-T711 PolarHBondContact N-O 3.32Å; C706-L719 HydrophobicContact CB-CD1 3.6Å; C706-H722 WeakPolarHBondContact CB-NE2 3.22Å; C706-H722 PolarHBondContact SG-NE2 3.13Å; C706-H722 VanDerWaalsContact SG-NE2 3.36Å; C706-H727 VanDerWaalsContact SG-CD2 3.53Å; C706-H727 PolarHBondContact SG-NE2 3.32Å; C706-H727 VanDerWaalsContact SG-NE2 3.44Å
707	R	89.6	Confident	75.3	Confident	179 Å²	179	103.5 Å²	103.5	68%	0.675	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-30.1	178.3	-65.1	-176.7	179	177.3	-0.1	112.4	I705	I705-R707 PolarHBondContact O-N 3.01Å
708	D	87.8	Confident	78	Confident	108 Å²	108	99.4 Å²	99.4	58%	0.578	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-23.8	-172.6	-53.3	-27.5	0	0	0	114.1	C706 H727	C706-D708 PolarHBondContact O-N 2.73Å; C706-D708 PolarHBondContact SG-N 2.79Å; C706-D708 VanDerWaalsContact SG-N 3.44Å; D708-H727 WeakPolarHBondContact CB-CE1 3.38Å; D708-H727 WeakPolarHBondContact CB-ND1 3.3Å; D708-H727 WeakPolarHBondContact OD2-CB 3.32Å; D708-H727 IonicContact OD2-CD2 3.31Å; D708-H727 IonicContact OD2-CG 3.29Å; D708-H727 VanDerWaalsContact OD2-CG 3.29Å; D708-H727 IonicContact OD2-ND1 2.72Å
709	C	91.9	Very high	80.3	Confident	61 Å²	61	95.1 Å²	95.1	41%	0.412	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.2	0.5	179	71.6	0	0	0	0	115.7	C706 T711 H722 H727	C706-C709 VanDerWaalsContact SG-SG 3.64Å; C709-T711 PolarHBondContact O-N 2.79Å; C709-T711 VanDerWaalsContact SG-CG2 3.6Å; C709-T711 PolarHBondContact SG-OG1 2.84Å; C709-H722 PolarHBondContact SG-CE1 3.4Å; C709-H722 PolarHBondContact SG-NE2 3.29Å; C709-H727 PolarHBondContact SG-NE2 2.83Å; C709-H727 VanDerWaalsContact SG-NE2 3.42Å
710	G	87.8	Confident	82.4	Confident	51 Å²	51	95.5 Å²	95.5	53%	0.526	46%	0.462	S	S	.	.			trans	71.3	2.8	178.9	0	0	0	0	0	115.7	C706	C706-G710 WeakPolarHBondContact O-CA 3.18Å; C706-G710 PolarHBondContact O-N 3.42Å
711	T	87.5	Confident	84.4	Confident	58 Å²	58	93.4 Å²	93.4	36%	0.356	44%	0.442	S	S	.	.			trans	-69.5	135.7	179.3	60.1	0	0	0	0	111.4	I705 C706 C709 F713 H722	I705-T711 WeakPolarHBondContact CA-O 3.35Å; C706-T711 PolarHBondContact N-O 3.32Å; C709-T711 PolarHBondContact O-N 2.79Å; C709-T711 VanDerWaalsContact SG-CG2 3.6Å; C709-T711 PolarHBondContact SG-OG1 2.84Å; T711-F713 VanDerWaalsContact OG1-CE2 3.24Å; T711-F713 WeakPolarHBondContact OG1-CE2 3.47Å; T711-H722 PolarHBondContact OG1-CE1 2.83Å; T711-H722 PolarHBondContact OG1-NE2 3.19Å
712	S	87.6	Confident	86.2	Confident	59 Å²	59	90.6 Å²	90.6	41%	0.413	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	128.7	-174.8	75.6	0	0	0	0	112.3
713	F	89	Confident	88.2	Confident	51 Å²	51	83.6 Å²	83.6	22%	0.224	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	151.8	179.1	-58.9	-85.9	0	0	0	111.6	Y704 T711 H718 L719 H722	Y704-F713 PolarHBondContact N-O 2.85Å; Y704-F713 PolarHBondContact O-N 3.5Å; T711-F713 VanDerWaalsContact OG1-CE2 3.24Å; T711-F713 WeakPolarHBondContact OG1-CE2 3.47Å; F713-H718 HydrophobicContact CB-CB 3.99Å; F713-H718 HydrophobicContact CD1-CB 3.82Å; F713-H718 HydrophobicContact CG-CB 4.13Å; F713-L719 HydrophobicContact CB-CB 4.36Å; F713-L719 HydrophobicContact CD2-CB 3.92Å; F713-L719 HydrophobicContact CD2-CD1 3.8Å; F713-L719 HydrophobicContact CD2-CG 4.49Å; F713-L719 HydrophobicContact CE2-CD1 4.02Å; F713-L719 HydrophobicContact CG-CB 4.36Å; F713-H722 HydrophobicContact CD2-CB 4.46Å; F713-H722 HydrophobicContact CE1-CB 3.99Å; F713-H722 HydrophobicContact CE2-CB 3.63Å; F713-H722 AromaticContact CE2-CD2 3.61Å; F713-H722 AromaticContact CE2-CG 3.43Å; F713-H722 VanDerWaalsContact CE2-CG 3.43Å; F713-H722 AromaticContact CE2-ND1 3.98Å; F713-H722 HydrophobicContact CZ-CB 3.37Å; F713-H722 AromaticContact CZ-CD2 3.92Å; F713-H722 AromaticContact CZ-CG 3.27Å; F713-H722 AromaticContact CZ-ND1 3.49Å; F713-H722 WeakPolarHBondContact CZ-ND1 3.35Å
714	R	86	Confident	88.8	Confident	226 Å²	226	78.9 Å²	78.9	85%	0.853	38%	0.384	S	S	*	.	S	Bend	trans	-76.3	-20.5	177.7	-71.6	-174.7	174.7	-166.1	-4	113.8
715	Q	83.7	Confident	88.8	Confident	104 Å²	104	78.3 Å²	78.3	49%	0.486	39%	0.387	S	S	.	.	S	Bend	trans	-139.2	149.5	-176.8	-69.5	170.6	-28.3	0	0	109.9	V717 H718 L719	Q715-V717 VanDerWaalsContact C-N 3.34Å; Q715-V717 HydrophobicContact CB-CG2 4.06Å; Q715-V717 PolarHBondContact O-N 2.93Å; Q715-H718 PolarHBondContact O-N 3.27Å; Q715-H718 PolarHBondContact OE1-CE1 2.88Å; Q715-H718 PolarHBondContact OE1-ND1 2.99Å; Q715-L719 PolarHBondContact O-N 3.39Å
716	N	88.7	Confident	89	Confident	57 Å²	57	79.2 Å²	79.2	31%	0.305	39%	0.389	S	S	.	.	H	α-helix	trans	-62.4	-39.7	-178.7	-175.4	-79.2	0	0	0	112.3	Y704 H718 L719 R720	Y704-N716 HydrophobicContact CD1-CB 3.83Å; Y704-N716 WeakPolarHBondContact CD1-ND2 3.36Å; Y704-N716 HydrophobicContact CD2-CB 4.27Å; Y704-N716 VanDerWaalsContact CD2-N 3.26Å; Y704-N716 HydrophobicContact CE1-CB 3.62Å; Y704-N716 WeakPolarHBondContact CE1-ND2 3.35Å; Y704-N716 HydrophobicContact CE2-CB 4.06Å; Y704-N716 HydrophobicContact CG-CB 4.14Å; N716-H718 VanDerWaalsContact C-N 3.25Å; N716-H718 PolarHBondContact O-N 3.04Å; N716-L719 CarbonylContact O-C 3.49Å; N716-L719 WeakPolarHBondContact O-CA 3.23Å; N716-L719 WeakPolarHBondContact O-CB 3.08Å; N716-L719 PolarHBondContact O-N 3.22Å; N716-R720 PolarHBondContact O-N 2.86Å; N716-R720 WeakPolarHBondContact OD1-CD 3.43Å; N716-R720 WeakPolarHBondContact OD1-CG 3.3Å; N716-R720 PolarHBondContact OD1-NE 2.94Å
717	V	88.3	Confident	88.9	Confident	66 Å²	66	82.1 Å²	82.1	40%	0.4	40%	0.402	S	S	.	.	H	α-helix	trans	-57	-38.3	178.2	-65.4	0	0	0	0	112.4	Q715 R720 K721	Q715-V717 VanDerWaalsContact C-N 3.34Å; Q715-V717 HydrophobicContact CB-CG2 4.06Å; Q715-V717 PolarHBondContact O-N 2.93Å; V717-R720 PolarHBondContact O-N 3.29Å; V717-K721 WeakPolarHBondContact O-CB 3.29Å; V717-K721 VanDerWaalsContact O-CG 3.31Å; V717-K721 WeakPolarHBondContact O-CG 3.36Å; V717-K721 PolarHBondContact O-N 3.17Å
718	H	89.9	Confident	88.9	Confident	82 Å²	82	77 Å²	77	38%	0.38	39%	0.391	S	S	.	.	H	α-helix	trans	-70.6	-35	175.6	-65	135.2	0	0	0	112.5	F713 Q715 N716 H722	F713-H718 HydrophobicContact CB-CB 3.99Å; F713-H718 HydrophobicContact CD1-CB 3.82Å; F713-H718 HydrophobicContact CG-CB 4.13Å; Q715-H718 PolarHBondContact O-N 3.27Å; Q715-H718 PolarHBondContact OE1-CE1 2.88Å; Q715-H718 PolarHBondContact OE1-ND1 2.99Å; N716-H718 VanDerWaalsContact C-N 3.25Å; N716-H718 PolarHBondContact O-N 3.04Å; H718-H722 WeakPolarHBondContact O-CB 3.46Å; H718-H722 PolarHBondContact O-N 3.29Å
719	L	90.5	Very high	88.9	Confident	18 Å²	18	79.5 Å²	79.5	9%	0.094	40%	0.397	C	S	.	.	H	α-helix	trans	-66	-45.7	170.7	175.2	62.4	0	0	0	111.4	C706 F713 Q715 N716 H722 I723	C706-L719 HydrophobicContact CB-CD1 3.6Å; F713-L719 HydrophobicContact CB-CB 4.36Å; F713-L719 HydrophobicContact CD2-CB 3.92Å; F713-L719 HydrophobicContact CD2-CD1 3.8Å; F713-L719 HydrophobicContact CD2-CG 4.49Å; F713-L719 HydrophobicContact CE2-CD1 4.02Å; F713-L719 HydrophobicContact CG-CB 4.36Å; Q715-L719 PolarHBondContact O-N 3.39Å; N716-L719 CarbonylContact O-C 3.49Å; N716-L719 WeakPolarHBondContact O-CA 3.23Å; N716-L719 WeakPolarHBondContact O-CB 3.08Å; N716-L719 PolarHBondContact O-N 3.22Å; L719-H722 WeakPolarHBondContact O-CB 3.35Å; L719-H722 PolarHBondContact O-N 3.09Å; L719-I723 HydrophobicContact CD1-CD1 3.82Å; L719-I723 HydrophobicContact CD1-CG1 3.98Å; L719-I723 HydrophobicContact CD2-CD1 4.34Å; L719-I723 HydrophobicContact CG-CD1 3.8Å; L719-I723 HydrophobicContact CG-CG1 4.36Å; L719-I723 WeakPolarHBondContact O-CG1 3.45Å; L719-I723 PolarHBondContact O-N 3.35Å
720	R	89.8	Confident	88.5	Confident	148 Å²	148	82.4 Å²	82.4	56%	0.558	41%	0.405	S	S	*	.	H	α-helix	trans	-59.7	-48.8	177	-77	-168.9	-80.9	173.2	-0.4	111.3	N716 V717 H722 I723 M724	N716-R720 PolarHBondContact O-N 2.86Å; N716-R720 WeakPolarHBondContact OD1-CD 3.43Å; N716-R720 WeakPolarHBondContact OD1-CG 3.3Å; N716-R720 PolarHBondContact OD1-NE 2.94Å; V717-R720 PolarHBondContact O-N 3.29Å; R720-H722 VanDerWaalsContact C-N 3.33Å; R720-H722 PolarHBondContact O-N 3.07Å; R720-I723 PolarHBondContact O-N 3.43Å; R720-M724 WeakPolarHBondContact O-CG 3.3Å; R720-M724 PolarHBondContact O-N 3.35Å
721	K	89	Confident	88.6	Confident	61 Å²	61	85 Å²	85	27%	0.265	40%	0.402	S	S	.	.	H	α-helix	trans	-55	-46.2	172	-75.1	174.8	169.8	-162.9	0	111.8	V717 M724 I725 E744	V717-K721 WeakPolarHBondContact O-CB 3.29Å; V717-K721 VanDerWaalsContact O-CG 3.31Å; V717-K721 WeakPolarHBondContact O-CG 3.36Å; V717-K721 PolarHBondContact O-N 3.17Å; K721-M724 HydrophobicContact CG-CE 4.45Å; K721-M724 PolarHBondContact O-N 3.28Å; K721-I725 WeakPolarHBondContact O-CD1 3.41Å; K721-I725 WeakPolarHBondContact O-CG1 3.32Å; K721-I725 PolarHBondContact O-N 2.95Å; K721-E744 VanDerWaalsContact CD-OE1 3.26Å; K721-E744 WeakPolarHBondContact CD-OE1 3.39Å; K721-E744 VanDerWaalsContact CE-CD 3.44Å; K721-E744 WeakPolarHBondContact CE-OE1 3.28Å; K721-E744 IonicContact NZ-OE1 3.56Å; K721-E744 PolarHBondContact NZ-OE1 2.82Å; K721-E744 IonicContact NZ-OE2 3.92Å; K721-E744 PolarHBondContact NZ-OE2 3.24Å
722	H	89.8	Confident	88.6	Confident	26 Å²	26	86.1 Å²	86.1	12%	0.12	41%	0.411	C	S	.	.	H	α-helix	trans	-61.4	-46.1	177.1	164.4	81.5	0	0	0	113.1	C706 C709 T711 F713 H718 L719 R720 M724 I725 Q726 H727	C706-H722 WeakPolarHBondContact CB-NE2 3.22Å; C706-H722 PolarHBondContact SG-NE2 3.13Å; C706-H722 VanDerWaalsContact SG-NE2 3.36Å; C709-H722 PolarHBondContact SG-CE1 3.4Å; C709-H722 PolarHBondContact SG-NE2 3.29Å; T711-H722 PolarHBondContact OG1-CE1 2.83Å; T711-H722 PolarHBondContact OG1-NE2 3.19Å; F713-H722 HydrophobicContact CD2-CB 4.46Å; F713-H722 HydrophobicContact CE1-CB 3.99Å; F713-H722 HydrophobicContact CE2-CB 3.63Å; F713-H722 AromaticContact CE2-CD2 3.61Å; F713-H722 AromaticContact CE2-CG 3.43Å; F713-H722 VanDerWaalsContact CE2-CG 3.43Å; F713-H722 AromaticContact CE2-ND1 3.98Å; F713-H722 HydrophobicContact CZ-CB 3.37Å; F713-H722 AromaticContact CZ-CD2 3.92Å; F713-H722 AromaticContact CZ-CG 3.27Å; F713-H722 AromaticContact CZ-ND1 3.49Å; F713-H722 WeakPolarHBondContact CZ-ND1 3.35Å; H718-H722 WeakPolarHBondContact O-CB 3.46Å; H718-H722 PolarHBondContact O-N 3.29Å; L719-H722 WeakPolarHBondContact O-CB 3.35Å; L719-H722 PolarHBondContact O-N 3.09Å; R720-H722 VanDerWaalsContact C-N 3.33Å; R720-H722 PolarHBondContact O-N 3.07Å; H722-M724 VanDerWaalsContact C-N 3.34Å; H722-M724 PolarHBondContact O-N 3.36Å; H722-I725 PolarHBondContact O-N 2.94Å; H722-Q726 WeakPolarHBondContact O-CB 3.43Å; H722-Q726 PolarHBondContact O-N 2.81Å; H722-H727 AromaticContact CE1-NE2 3.88Å; H722-H727 AromaticContact NE2-CD2 3.53Å; H722-H727 AromaticContact NE2-NE2 3.34Å; H722-H727 PolarHBondContact NE2-NE2 3.15Å
723	I	89.6	Confident	88.8	Confident	54 Å²	54	86.8 Å²	86.8	28%	0.277	41%	0.406	S	S	.	.	H	α-helix	trans	-60.7	-44.9	176.8	-69.9	168.5	0	0	0	110.1	L719 R720 I725 H727 T728	L719-I723 HydrophobicContact CD1-CD1 3.82Å; L719-I723 HydrophobicContact CD1-CG1 3.98Å; L719-I723 HydrophobicContact CD2-CD1 4.34Å; L719-I723 HydrophobicContact CG-CD1 3.8Å; L719-I723 HydrophobicContact CG-CG1 4.36Å; L719-I723 WeakPolarHBondContact O-CG1 3.45Å; L719-I723 PolarHBondContact O-N 3.35Å; R720-I723 PolarHBondContact O-N 3.43Å; I723-I725 PolarHBondContact O-N 3.18Å; I723-H727 HydrophobicContact CG2-CB 4.4Å; I723-H727 WeakPolarHBondContact O-CA 3.35Å; I723-H727 WeakPolarHBondContact O-CB 3.38Å; I723-H727 PolarHBondContact O-N 3.41Å; I723-T728 HydrophobicContact CG2-CG2 4.05Å; I723-T728 PolarHBondContact O-N 3.4Å
724	M	91.1	Very high	89.1	Confident	54 Å²	54	87.5 Å²	87.5	27%	0.266	42%	0.418	S	S	.	.	I	π-helix	trans	-58.6	-44.9	175	-73.8	-170.7	-75.3	0	0	112.5	R720 K721 H722 T728 K729 M730 V743	R720-M724 WeakPolarHBondContact O-CG 3.3Å; R720-M724 PolarHBondContact O-N 3.35Å; K721-M724 HydrophobicContact CG-CE 4.45Å; K721-M724 PolarHBondContact O-N 3.28Å; H722-M724 VanDerWaalsContact C-N 3.34Å; H722-M724 PolarHBondContact O-N 3.36Å; M724-T728 WeakPolarHBondContact CA-OG1 3.38Å; M724-K729 CarbonylContact O-C 3.23Å; M724-K729 VanDerWaalsContact O-C 3.29Å; M724-K729 WeakPolarHBondContact O-CA 3.4Å; M724-K729 PolarHBondContact O-N 3.5Å; M724-M730 PolarHBondContact O-N 3.48Å; M724-V743 HydrophobicContact CB-CG1 3.76Å; M724-V743 HydrophobicContact CE-CG1 3.68Å; M724-V743 HydrophobicContact SD-CG1 4.04Å
725	I	88.4	Confident	89.5	Confident	83 Å²	83	77.1 Å²	77.1	43%	0.426	38%	0.38	S	S	.	.	I	π-helix	trans	-74.1	-45.8	-177.5	-63.6	163.1	0	0	0	112.4	K721 H722 I723 V743	K721-I725 WeakPolarHBondContact O-CD1 3.41Å; K721-I725 WeakPolarHBondContact O-CG1 3.32Å; K721-I725 PolarHBondContact O-N 2.95Å; H722-I725 PolarHBondContact O-N 2.94Å; I723-I725 PolarHBondContact O-N 3.18Å; I725-V743 HydrophobicContact CG1-CB 4.17Å; I725-V743 HydrophobicContact CG1-CG1 4.26Å; I725-V743 HydrophobicContact CG1-CG2 3.66Å
726	Q	90	Very high	90	Very high	117 Å²	117	76.9 Å²	76.9	55%	0.547	39%	0.387	S	S	.	.	I	π-helix	trans	-97	-34.2	-166.8	-62.3	-61.9	-39	0	0	113.8	H722	H722-Q726 WeakPolarHBondContact O-CB 3.43Å; H722-Q726 PolarHBondContact O-N 2.81Å
727	H	90.9	Very high	90.2	Very high	61 Å²	61	81.1 Å²	81.1	28%	0.282	40%	0.4	S	S	.	.	I	π-helix	trans	-109.1	-59.4	-166.4	-65.9	-67.2	0	0	0	112.2	C706 D708 C709 H722 I723	C706-H727 VanDerWaalsContact SG-CD2 3.53Å; C706-H727 PolarHBondContact SG-NE2 3.32Å; C706-H727 VanDerWaalsContact SG-NE2 3.44Å; D708-H727 WeakPolarHBondContact CB-CE1 3.38Å; D708-H727 WeakPolarHBondContact CB-ND1 3.3Å; D708-H727 WeakPolarHBondContact OD2-CB 3.32Å; D708-H727 IonicContact OD2-CD2 3.31Å; D708-H727 IonicContact OD2-CG 3.29Å; D708-H727 VanDerWaalsContact OD2-CG 3.29Å; D708-H727 IonicContact OD2-ND1 2.72Å; C709-H727 PolarHBondContact SG-NE2 2.83Å; C709-H727 VanDerWaalsContact SG-NE2 3.42Å; H722-H727 AromaticContact CE1-NE2 3.88Å; H722-H727 AromaticContact NE2-CD2 3.53Å; H722-H727 AromaticContact NE2-NE2 3.34Å; H722-H727 PolarHBondContact NE2-NE2 3.15Å; I723-H727 HydrophobicContact CG2-CB 4.4Å; I723-H727 WeakPolarHBondContact O-CA 3.35Å; I723-H727 WeakPolarHBondContact O-CB 3.38Å; I723-H727 PolarHBondContact O-N 3.41Å
728	T	89.5	Confident	90.4	Very high	72 Å²	72	80.4 Å²	80.4	44%	0.442	40%	0.397	S	S	.	.	I	π-helix	trans	-80.7	-20.7	176.7	69.6	0	0	0	0	112.9	I723 M724 M730	I723-T728 HydrophobicContact CG2-CG2 4.05Å; I723-T728 PolarHBondContact O-N 3.4Å; M724-T728 WeakPolarHBondContact CA-OG1 3.38Å; T728-M730 PolarHBondContact O-N 2.97Å; T728-M730 VanDerWaalsContact O-N 3.16Å; T728-M730 WeakPolarHBondContact OG1-CG 3.21Å; T728-M730 PolarHBondContact OG1-N 3.13Å
729	K	87.4	Confident	90.6	Very high	161 Å²	161	85.5 Å²	85.5	70%	0.7	42%	0.421	S	S	*	.			trans	56.8	20.5	-173.7	-57.7	170.2	-172.9	159.2	0	113.4	M724	M724-K729 CarbonylContact O-C 3.23Å; M724-K729 VanDerWaalsContact O-C 3.29Å; M724-K729 WeakPolarHBondContact O-CA 3.4Å; M724-K729 PolarHBondContact O-N 3.5Å
730	M	84.4	Confident	90.7	Very high	121 Å²	121	89 Å²	89	60%	0.596	43%	0.434	S	S	*	.			trans	-73.2	139.7	178.6	-69.6	178.3	73.1	0	0	110.9	M724 T728 V743	M724-M730 PolarHBondContact O-N 3.48Å; T728-M730 PolarHBondContact O-N 2.97Å; T728-M730 VanDerWaalsContact O-N 3.16Å; T728-M730 WeakPolarHBondContact OG1-CG 3.21Å; T728-M730 PolarHBondContact OG1-N 3.13Å; M730-V743 WeakPolarHBondContact O-CG2 3.33Å
731	K	88.5	Confident	90.8	Very high	105 Å²	105	84.4 Å²	84.4	46%	0.457	42%	0.422	S	S	.	.			trans	-137.6	83.8	-179.6	-74.2	173.5	153.7	-150.6	0	108.6	F733 T741 T742 V743	K731-F733 PolarHBondContact O-N 3.31Å; K731-T741 WeakPolarHBondContact CD-O 3.2Å; K731-T741 WeakPolarHBondContact CD-OG1 3.5Å; K731-T741 WeakPolarHBondContact CE-O 3.19Å; K731-T741 PolarHBondContact NZ-O 2.72Å; K731-T742 CarbonylContact C-O 3.51Å; K731-T742 VanDerWaalsContact C-O 3.23Å; K731-T742 WeakPolarHBondContact CA-O 3.39Å; K731-T742 WeakPolarHBondContact CB-O 3.47Å; K731-V743 HydrophobicContact CG-CG2 3.81Å
732	P	88.7	Confident	91	Very high	83 Å²	83	82 Å²	82	54%	0.539	41%	0.413	S	S	.	.			trans	-63.7	-25.2	-170.5	22.2	-33.8	0	0	0	114.3
733	F	92.5	Very high	91.1	Very high	72 Å²	72	81.4 Å²	81.4	32%	0.316	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	114.6	-175.6	-58.7	-73.7	0	0	0	110.8	K731 T741 T742 V743 K745 L748	K731-F733 PolarHBondContact O-N 3.31Å; F733-T741 CarbonylContact O-C 3.52Å; F733-T741 VanDerWaalsContact O-CA 3.26Å; F733-T741 WeakPolarHBondContact O-CA 3.47Å; F733-T742 HydrophobicContact CB-CG2 3.88Å; F733-T742 PolarHBondContact N-O 2.04Å; F733-T742 VanDerWaalsContact N-O 3.14Å; F733-T742 PolarHBondContact O-N 3.42Å; F733-V743 WeakPolarHBondContact CE2-O 3.2Å; F733-K745 HydrophobicContact CD1-CB 4.28Å; F733-K745 HydrophobicContact CE1-CB 3.93Å; F733-K745 HydrophobicContact CE1-CG 4.42Å; F733-K745 HydrophobicContact CE2-CB 4.41Å; F733-K745 HydrophobicContact CZ-CB 4Å; F733-L748 HydrophobicContact CB-CB 4.14Å; F733-L748 HydrophobicContact CB-CD2 3.84Å
734	S	93.6	Very high	91.1	Very high	67 Å²	67	80.9 Å²	80.9	47%	0.469	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	144.6	176.5	-167.8	0	0	0	0	111.6	L748	S734-L748 WeakPolarHBondContact O-CD2 3.24Å
735	C	95	Very high	91.1	Very high	8 Å²	8	83.4 Å²	83.4	5%	0.054	42%	0.417	C	S	.	.			trans	-71.9	137.9	168.4	-172.9	0	0	0	0	110.8	Y737 C738 Y740 L748 H751 H755	C735-Y737 VanDerWaalsContact C-N 3.29Å; C735-Y737 PolarHBondContact SG-N 3.2Å; C735-Y737 VanDerWaalsContact SG-N 3.37Å; C735-C738 WeakPolarHBondContact CB-O 3.48Å; C735-C738 VanDerWaalsContact O-O 3.07Å; C735-Y740 PolarHBondContact N-O 3.1Å; C735-L748 HydrophobicContact CB-CD1 3.95Å; C735-H751 VanDerWaalsContact SG-CD2 3.54Å; C735-H751 PolarHBondContact SG-NE2 3.4Å; C735-H751 VanDerWaalsContact SG-NE2 3.4Å; C735-H755 PolarHBondContact SG-NE2 3.12Å; C735-H755 VanDerWaalsContact SG-NE2 3.41Å
736	P	93.8	Very high	91.2	Very high	98 Å²	98	81.4 Å²	81.4	64%	0.636	41%	0.41	S	S	*	.	S	Bend	trans	-76	-17.1	172.9	30	-34.9	0	0	0	113
737	Y	92.9	Very high	91.3	Very high	147 Å²	147	79.9 Å²	79.9	58%	0.576	40%	0.403	S	S	*	.	S	Bend	trans	-101.1	-16.3	-175.3	-53.6	-65.5	0	0	0	114.2	C735 I752 H755	C735-Y737 VanDerWaalsContact C-N 3.29Å; C735-Y737 PolarHBondContact SG-N 3.2Å; C735-Y737 VanDerWaalsContact SG-N 3.37Å; Y737-I752 HydrophobicContact CE2-CG2 4.18Å; Y737-H755 HydrophobicContact CD2-CB 3.8Å; Y737-H755 AromaticContact CD2-CD2 3.91Å; Y737-H755 AromaticContact CD2-CG 3.86Å; Y737-H755 HydrophobicContact CE2-CB 4.43Å; Y737-H755 HydrophobicContact CG-CB 4.16Å
738	C	94	Very high	91.4	Very high	51 Å²	51	78 Å²	78	35%	0.345	40%	0.395	S	S	.	.	S	Bend	trans	-159.3	173.7	175.9	73.6	0	0	0	0	112.6	C735 Y740 H751 H755	C735-C738 WeakPolarHBondContact CB-O 3.48Å; C735-C738 VanDerWaalsContact O-O 3.07Å; C738-Y740 PolarHBondContact O-N 3Å; C738-H751 PolarHBondContact SG-NE2 2.92Å; C738-H755 PolarHBondContact SG-NE2 2.83Å; C738-H755 VanDerWaalsContact SG-NE2 3.42Å
739	E	93.2	Very high	91.6	Very high	189 Å²	189	77.6 Å²	77.6	88%	0.883	39%	0.392	S	S	*	.	S	Bend	trans	-69.3	12.1	-178	-55.7	178.1	170.6	0	0	115	T741	E739-T741 PolarHBondContact O-N 3.12Å
740	Y	92.8	Very high	91.8	Very high	92 Å²	92	70.8 Å²	70.8	36%	0.361	36%	0.364	S	S	.	.			trans	-73.1	123.8	179.9	-178.6	-94.5	0	0	0	111.5	C735 C738 T742 H751	C735-Y740 PolarHBondContact N-O 3.1Å; C738-Y740 PolarHBondContact O-N 3Å; Y740-T742 HydrophobicContact CE1-CG2 4.06Å; Y740-H751 WeakPolarHBondContact CB-NE2 3.46Å; Y740-H751 HydrophobicContact CD1-CB 3.88Å; Y740-H751 AromaticContact CD1-CD2 3.48Å; Y740-H751 VanDerWaalsContact CD1-CD2 3.48Å; Y740-H751 WeakPolarHBondContact CD1-CD2 3.44Å; Y740-H751 AromaticContact CD1-CG 3.36Å; Y740-H751 AromaticContact CD1-ND1 3.72Å; Y740-H751 AromaticContact CD1-NE2 3.9Å; Y740-H751 HydrophobicContact CE1-CB 3.74Å; Y740-H751 AromaticContact CE1-CG 3.72Å; Y740-H751 AromaticContact CG-CD2 3.9Å; Y740-H751 AromaticContact CG-CE1 3.69Å; Y740-H751 AromaticContact CG-CG 3.83Å; Y740-H751 AromaticContact CG-ND1 3.7Å; Y740-H751 AromaticContact CG-NE2 3.81Å
741	T	92.7	Very high	92.2	Very high	50 Å²	50	66.3 Å²	66.3	31%	0.307	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	144.6	177.8	50.5	0	0	0	0	111.7	K731 F733 E739	K731-T741 WeakPolarHBondContact CD-O 3.2Å; K731-T741 WeakPolarHBondContact CD-OG1 3.5Å; K731-T741 WeakPolarHBondContact CE-O 3.19Å; K731-T741 PolarHBondContact NZ-O 2.72Å; F733-T741 CarbonylContact O-C 3.52Å; F733-T741 VanDerWaalsContact O-CA 3.26Å; F733-T741 WeakPolarHBondContact O-CA 3.47Å; E739-T741 PolarHBondContact O-N 3.12Å
742	T	92.5	Very high	92.5	Very high	11 Å²	11	63.4 Å²	63.4	7%	0.067	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	167.3	-177.3	-174.1	0	0	0	0	112.5	K731 F733 Y740 E744 H747 L748	K731-T742 CarbonylContact C-O 3.51Å; K731-T742 VanDerWaalsContact C-O 3.23Å; K731-T742 WeakPolarHBondContact CA-O 3.39Å; K731-T742 WeakPolarHBondContact CB-O 3.47Å; F733-T742 HydrophobicContact CB-CG2 3.88Å; F733-T742 PolarHBondContact N-O 2.04Å; F733-T742 VanDerWaalsContact N-O 3.14Å; F733-T742 PolarHBondContact O-N 3.42Å; Y740-T742 HydrophobicContact CE1-CG2 4.06Å; T742-E744 VanDerWaalsContact CG2-O 3.23Å; T742-E744 WeakPolarHBondContact CG2-O 3.28Å; T742-H747 HydrophobicContact CG2-CB 4.06Å; T742-H747 WeakPolarHBondContact OG1-CB 3.49Å; T742-L748 HydrophobicContact CG2-CB 3.79Å
743	V	91.6	Very high	92.7	Very high	13 Å²	13	61.1 Å²	61.1	8%	0.079	31%	0.311	C	S	.	.	S	Bend	trans	-93	-11.4	-179.6	-174.6	0	0	0	0	112	M724 I725 M730 K731 F733	M724-V743 HydrophobicContact CB-CG1 3.76Å; M724-V743 HydrophobicContact CE-CG1 3.68Å; M724-V743 HydrophobicContact SD-CG1 4.04Å; I725-V743 HydrophobicContact CG1-CB 4.17Å; I725-V743 HydrophobicContact CG1-CG1 4.26Å; I725-V743 HydrophobicContact CG1-CG2 3.66Å; M730-V743 WeakPolarHBondContact O-CG2 3.33Å; K731-V743 HydrophobicContact CG-CG2 3.81Å; F733-V743 WeakPolarHBondContact CE2-O 3.2Å
744	E	89.9	Confident	92.7	Very high	43 Å²	43	62.3 Å²	62.3	20%	0.201	33%	0.325	C	S	.	.			trans	-131.4	135	-175.1	-46.5	-163	-176	0	0	112	K721 T742 S746 H747 L748	K721-E744 VanDerWaalsContact CD-OE1 3.26Å; K721-E744 WeakPolarHBondContact CD-OE1 3.39Å; K721-E744 VanDerWaalsContact CE-CD 3.44Å; K721-E744 WeakPolarHBondContact CE-OE1 3.28Å; K721-E744 IonicContact NZ-OE1 3.56Å; K721-E744 PolarHBondContact NZ-OE1 2.82Å; K721-E744 IonicContact NZ-OE2 3.92Å; K721-E744 PolarHBondContact NZ-OE2 3.24Å; T742-E744 VanDerWaalsContact CG2-O 3.23Å; T742-E744 WeakPolarHBondContact CG2-O 3.28Å; E744-S746 PolarHBondContact O-N 2.81Å; E744-H747 HydrophobicContact CB-CB 4.41Å; E744-H747 PolarHBondContact O-N 3.27Å; E744-L748 PolarHBondContact O-N 3.39Å
745	K	91.7	Very high	92.7	Very high	107 Å²	107	62.9 Å²	62.9	47%	0.465	32%	0.32	S	S	.	.	H	α-helix	trans	-58.4	-44.5	179.2	-176.2	-178.3	169.1	-165.6	0	111.9	D189 F733 H747 L748 T749	D189-K745 WeakPolarHBondContact OD2-CD 3.4Å; D189-K745 WeakPolarHBondContact OD2-CE 3.47Å; D189-K745 IonicContact OD2-NZ 3.03Å; D189-K745 PolarHBondContact OD2-NZ 2.83Å; F733-K745 HydrophobicContact CD1-CB 4.28Å; F733-K745 HydrophobicContact CE1-CB 3.93Å; F733-K745 HydrophobicContact CE1-CG 4.42Å; F733-K745 HydrophobicContact CE2-CB 4.41Å; F733-K745 HydrophobicContact CZ-CB 4Å; K745-H747 PolarHBondContact O-N 2.82Å; K745-L748 CarbonylContact O-C 3.48Å; K745-L748 WeakPolarHBondContact O-CA 2.95Å; K745-L748 WeakPolarHBondContact O-CB 3.18Å; K745-L748 PolarHBondContact O-N 3.15Å; K745-T749 PolarHBondContact O-N 2.89Å; K745-T749 PolarHBondContact O-OG1 3.22Å
746	S	90.1	Very high	92.6	Very high	41 Å²	41	65.5 Å²	65.5	29%	0.287	34%	0.335	S	S	.	.	H	α-helix	trans	-55.3	-46.3	175.4	55.9	0	0	0	0	112.9	E744 L748 T749 V750	E744-S746 PolarHBondContact O-N 2.81Å; S746-L748 PolarHBondContact O-N 2.94Å; S746-T749 PolarHBondContact O-N 2.91Å; S746-V750 WeakPolarHBondContact O-CB 3.31Å; S746-V750 WeakPolarHBondContact O-CG2 3.48Å; S746-V750 PolarHBondContact O-N 3.2Å
747	H	90.8	Very high	92.5	Very high	85 Å²	85	63.1 Å²	63.1	39%	0.394	33%	0.329	S	S	.	.	H	α-helix	trans	-62.1	-30.6	173.9	-68.4	147.8	0	0	0	113	T742 E744 K745 H751	T742-H747 HydrophobicContact CG2-CB 4.06Å; T742-H747 WeakPolarHBondContact OG1-CB 3.49Å; E744-H747 HydrophobicContact CB-CB 4.41Å; E744-H747 PolarHBondContact O-N 3.27Å; K745-H747 PolarHBondContact O-N 2.82Å; H747-H751 VanDerWaalsContact O-CB 3.25Å; H747-H751 WeakPolarHBondContact O-CB 3.21Å; H747-H751 PolarHBondContact O-N 2.85Å; H747-H751 VanDerWaalsContact O-N 3.09Å
748	L	94	Very high	92.4	Very high	22 Å²	22	61.4 Å²	61.4	12%	0.115	33%	0.326	C	S	.	.	H	α-helix	trans	-73	-46	173.7	176.7	60.2	0	0	0	111.1	F733 S734 C735 T742 E744 K745 S746 V750 H751 I752	F733-L748 HydrophobicContact CB-CB 4.14Å; F733-L748 HydrophobicContact CB-CD2 3.84Å; S734-L748 WeakPolarHBondContact O-CD2 3.24Å; C735-L748 HydrophobicContact CB-CD1 3.95Å; T742-L748 HydrophobicContact CG2-CB 3.79Å; E744-L748 PolarHBondContact O-N 3.39Å; K745-L748 CarbonylContact O-C 3.48Å; K745-L748 WeakPolarHBondContact O-CA 2.95Å; K745-L748 WeakPolarHBondContact O-CB 3.18Å; K745-L748 PolarHBondContact O-N 3.15Å; S746-L748 PolarHBondContact O-N 2.94Å; L748-V750 PolarHBondContact O-N 3.21Å; L748-H751 CarbonylContact O-C 3.29Å; L748-H751 WeakPolarHBondContact O-CA 3.45Å; L748-H751 WeakPolarHBondContact O-CB 3.49Å; L748-H751 PolarHBondContact O-N 2.86Å; L748-I752 HydrophobicContact CD1-CD1 4.06Å; L748-I752 HydrophobicContact CD1-CG1 4.11Å; L748-I752 HydrophobicContact CD2-CD1 4.44Å; L748-I752 HydrophobicContact CG-CD1 3.87Å; L748-I752 HydrophobicContact CG-CG1 4.38Å; L748-I752 WeakPolarHBondContact O-CG1 3.2Å; L748-I752 PolarHBondContact O-N 2.74Å
749	T	93.3	Very high	92.3	Very high	63 Å²	63	65.9 Å²	65.9	39%	0.387	34%	0.336	S	S	.	.	H	α-helix	trans	-56.3	-49.8	175.7	-55.1	0	0	0	0	111.1	K745 S746 H751 I752 R753	K745-T749 PolarHBondContact O-N 2.89Å; K745-T749 PolarHBondContact O-OG1 3.22Å; S746-T749 PolarHBondContact O-N 2.91Å; T749-H751 PolarHBondContact O-N 3.04Å; T749-I752 PolarHBondContact O-N 2.89Å; T749-I752 VanDerWaalsContact O-N 3.1Å; T749-R753 PolarHBondContact O-N 3.18Å; T749-R753 VanDerWaalsContact O-N 3.16Å
750	V	92.3	Very high	92.2	Very high	18 Å²	18	60.5 Å²	60.5	11%	0.109	32%	0.317	C	S	.	.	H	α-helix	trans	-61	-33.2	175.6	169.1	0	0	0	0	112.3	D192 S746 L748 Q772	D192-V750 WeakPolarHBondContact OD1-CG2 3.44Å; S746-V750 WeakPolarHBondContact O-CB 3.31Å; S746-V750 WeakPolarHBondContact O-CG2 3.48Å; S746-V750 PolarHBondContact O-N 3.2Å; L748-V750 PolarHBondContact O-N 3.21Å; V750-Q772 HydrophobicContact CG1-CG 3.62Å
751	H	93.2	Very high	92.2	Very high	28 Å²	28	58.2 Å²	58.2	13%	0.13	31%	0.31	C	S	.	.	H	α-helix	trans	-72.2	-40	172.8	172.4	73.8	0	0	0	112.5	C735 C738 Y740 H747 L748 T749 R753 T754 H755	C735-H751 VanDerWaalsContact SG-CD2 3.54Å; C735-H751 PolarHBondContact SG-NE2 3.4Å; C735-H751 VanDerWaalsContact SG-NE2 3.4Å; C738-H751 PolarHBondContact SG-NE2 2.92Å; Y740-H751 WeakPolarHBondContact CB-NE2 3.46Å; Y740-H751 HydrophobicContact CD1-CB 3.88Å; Y740-H751 AromaticContact CD1-CD2 3.48Å; Y740-H751 VanDerWaalsContact CD1-CD2 3.48Å; Y740-H751 WeakPolarHBondContact CD1-CD2 3.44Å; Y740-H751 AromaticContact CD1-CG 3.36Å; Y740-H751 AromaticContact CD1-ND1 3.72Å; Y740-H751 AromaticContact CD1-NE2 3.9Å; Y740-H751 HydrophobicContact CE1-CB 3.74Å; Y740-H751 AromaticContact CE1-CG 3.72Å; Y740-H751 AromaticContact CG-CD2 3.9Å; Y740-H751 AromaticContact CG-CE1 3.69Å; Y740-H751 AromaticContact CG-CG 3.83Å; Y740-H751 AromaticContact CG-ND1 3.7Å; Y740-H751 AromaticContact CG-NE2 3.81Å; H747-H751 VanDerWaalsContact O-CB 3.25Å; H747-H751 WeakPolarHBondContact O-CB 3.21Å; H747-H751 PolarHBondContact O-N 2.85Å; H747-H751 VanDerWaalsContact O-N 3.09Å; L748-H751 CarbonylContact O-C 3.29Å; L748-H751 WeakPolarHBondContact O-CA 3.45Å; L748-H751 WeakPolarHBondContact O-CB 3.49Å; L748-H751 PolarHBondContact O-N 2.86Å; T749-H751 PolarHBondContact O-N 3.04Å; H751-R753 VanDerWaalsContact C-N 3.25Å; H751-R753 PolarHBondContact O-N 2.84Å; H751-T754 VanDerWaalsContact O-CB 3.32Å; H751-T754 WeakPolarHBondContact O-CB 3.5Å; H751-T754 PolarHBondContact O-N 3Å; H751-T754 PolarHBondContact O-OG1 3.27Å; H751-H755 AromaticContact CD2-NE2 3.98Å; H751-H755 AromaticContact CE1-NE2 3.61Å; H751-H755 AromaticContact NE2-CD2 3.69Å; H751-H755 AromaticContact NE2-NE2 3.05Å; H751-H755 PolarHBondContact NE2-NE2 2.78Å
752	I	93.4	Very high	92.1	Very high	44 Å²	44	59.7 Å²	59.7	23%	0.226	32%	0.322	C	S	.	.	H	α-helix	trans	-60.3	-36.2	178.3	-73.4	166.2	0	0	0	111.2	Y737 L748 T749 T754 H755 T756	Y737-I752 HydrophobicContact CE2-CG2 4.18Å; L748-I752 HydrophobicContact CD1-CD1 4.06Å; L748-I752 HydrophobicContact CD1-CG1 4.11Å; L748-I752 HydrophobicContact CD2-CD1 4.44Å; L748-I752 HydrophobicContact CG-CD1 3.87Å; L748-I752 HydrophobicContact CG-CG1 4.38Å; L748-I752 WeakPolarHBondContact O-CG1 3.2Å; L748-I752 PolarHBondContact O-N 2.74Å; T749-I752 PolarHBondContact O-N 2.89Å; T749-I752 VanDerWaalsContact O-N 3.1Å; I752-T754 PolarHBondContact O-N 2.92Å; I752-H755 PolarHBondContact O-N 3.38Å; I752-T756 HydrophobicContact CG2-CG2 4.07Å; I752-T756 PolarHBondContact O-N 3.28Å; I752-T756 VanDerWaalsContact O-N 3.11Å
753	R	94.5	Very high	92	Very high	34 Å²	34	59.7 Å²	59.7	13%	0.128	32%	0.322	C	S	.	.	H	α-helix	trans	-56.2	-19.6	171.7	-64.7	179.3	-173	148.6	3.3	114	D192 T749 H751 T756 G757 E758 A771	D192-R753 IonicContact OD1-NH1 3.5Å; D192-R753 IonicContact OD2-CZ 2.89Å; D192-R753 IonicContact OD2-NH1 3.75Å; D192-R753 PolarHBondContact OD2-NH1 3.28Å; D192-R753 IonicContact OD2-NH2 2.65Å; D192-R753 PolarHBondContact OD2-NH2 3.08Å; T749-R753 PolarHBondContact O-N 3.18Å; T749-R753 VanDerWaalsContact O-N 3.16Å; H751-R753 VanDerWaalsContact C-N 3.25Å; H751-R753 PolarHBondContact O-N 2.84Å; R753-T756 WeakPolarHBondContact CA-OG1 3.39Å; R753-G757 WeakPolarHBondContact O-CA 3.47Å; R753-G757 PolarHBondContact O-N 3.31Å; R753-G757 VanDerWaalsContact O-N 3.1Å; R753-E758 HydrophobicContact CG-CB 4.26Å; R753-A771 HydrophobicContact CB-CB 3.98Å; R753-A771 WeakPolarHBondContact CD-O 3.43Å; R753-A771 PolarHBondContact NH1-O 3.24Å
754	T	92.5	Very high	91.8	Very high	98 Å²	98	69.2 Å²	69.2	60%	0.601	36%	0.357	S	S	*	.	H	α-helix	trans	-77.1	-20.1	173.3	72.4	0	0	0	0	114	H751 I752	H751-T754 VanDerWaalsContact O-CB 3.32Å; H751-T754 WeakPolarHBondContact O-CB 3.5Å; H751-T754 PolarHBondContact O-N 3Å; H751-T754 PolarHBondContact O-OG1 3.27Å; I752-T754 PolarHBondContact O-N 2.92Å
755	H	93.5	Very high	91.6	Very high	78 Å²	78	72.5 Å²	72.5	36%	0.361	37%	0.372	S	S	.	.	H	α-helix	trans	-92.9	-43.2	173.6	-62.5	-79.9	0	0	0	111.9	C735 Y737 C738 H751 I752 G757	C735-H755 PolarHBondContact SG-NE2 3.12Å; C735-H755 VanDerWaalsContact SG-NE2 3.41Å; Y737-H755 HydrophobicContact CD2-CB 3.8Å; Y737-H755 AromaticContact CD2-CD2 3.91Å; Y737-H755 AromaticContact CD2-CG 3.86Å; Y737-H755 HydrophobicContact CE2-CB 4.43Å; Y737-H755 HydrophobicContact CG-CB 4.16Å; C738-H755 PolarHBondContact SG-NE2 2.83Å; C738-H755 VanDerWaalsContact SG-NE2 3.42Å; H751-H755 AromaticContact CD2-NE2 3.98Å; H751-H755 AromaticContact CE1-NE2 3.61Å; H751-H755 AromaticContact NE2-CD2 3.69Å; H751-H755 AromaticContact NE2-NE2 3.05Å; H751-H755 PolarHBondContact NE2-NE2 2.78Å; I752-H755 PolarHBondContact O-N 3.38Å; H755-G757 VanDerWaalsContact C-N 3.3Å; H755-G757 PolarHBondContact O-N 2.65Å
756	T	92.6	Very high	91.4	Very high	63 Å²	63	69.6 Å²	69.6	39%	0.387	36%	0.364	S	S	.	.	H	α-helix	trans	-73.3	-22.9	179.3	61.9	0	0	0	0	112.7	I752 R753 E758	I752-T756 HydrophobicContact CG2-CG2 4.07Å; I752-T756 PolarHBondContact O-N 3.28Å; I752-T756 VanDerWaalsContact O-N 3.11Å; R753-T756 WeakPolarHBondContact CA-OG1 3.39Å; T756-E758 PolarHBondContact O-N 2.92Å; T756-E758 WeakPolarHBondContact OG1-CB 3.31Å; T756-E758 VanDerWaalsContact OG1-CD 3.28Å; T756-E758 WeakPolarHBondContact OG1-CG 3.21Å; T756-E758 PolarHBondContact OG1-N 3.48Å; T756-E758 PolarHBondContact OG1-OE2 2.96Å
757	G	90.7	Very high	91.4	Very high	49 Å²	49	76 Å²	76	51%	0.505	40%	0.395	S	S	.	.			trans	76.3	6.7	-175	0	0	0	0	0	113.8	R753 H755	R753-G757 WeakPolarHBondContact O-CA 3.47Å; R753-G757 PolarHBondContact O-N 3.31Å; R753-G757 VanDerWaalsContact O-N 3.1Å; H755-G757 VanDerWaalsContact C-N 3.3Å; H755-G757 PolarHBondContact O-N 2.65Å
758	E	91.9	Very high	91.3	Very high	111 Å²	111	75.7 Å²	75.7	52%	0.519	39%	0.391	S	S	.	.			trans	-61.5	135.6	-179.2	-76.5	165.8	-173.9	0	0	112.7	R753 T756 A771	R753-E758 HydrophobicContact CG-CB 4.26Å; T756-E758 PolarHBondContact O-N 2.92Å; T756-E758 WeakPolarHBondContact OG1-CB 3.31Å; T756-E758 VanDerWaalsContact OG1-CD 3.28Å; T756-E758 WeakPolarHBondContact OG1-CG 3.21Å; T756-E758 PolarHBondContact OG1-N 3.48Å; T756-E758 PolarHBondContact OG1-OE2 2.96Å; E758-A771 WeakPolarHBondContact O-CB 3.35Å
759	R	91.9	Very high	91.2	Very high	144 Å²	144	76.3 Å²	76.3	54%	0.543	40%	0.398	S	S	.	.			trans	-135.2	68.2	-178.6	-68.4	176.1	176.2	-144	11.6	110.7	F761 S769 S770	R759-F761 PolarHBondContact O-N 3.44Å; R759-S769 WeakPolarHBondContact CB-OG 3.26Å; R759-S769 WeakPolarHBondContact CD-O 3.35Å; R759-S769 WeakPolarHBondContact CD-OG 3.35Å; R759-S769 PolarHBondContact NH1-O 3.15Å; R759-S770 CarbonylContact C-O 3.3Å; R759-S770 VanDerWaalsContact C-O 3.26Å; R759-S770 VanDerWaalsContact CA-O 3.28Å; R759-S770 WeakPolarHBondContact CA-O 3.48Å
760	P	91	Very high	91	Very high	76 Å²	76	73.8 Å²	73.8	49%	0.494	38%	0.383	S	S	.	.			trans	-63.1	-23.7	-174	24.4	-34.2	0	0	0	113.7	S762	P760-S762 PolarHBondContact O-N 3.21Å
761	F	92.2	Very high	91	Very high	45 Å²	45	74 Å²	74	20%	0.197	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	97.9	-176.1	-56.2	-71.8	0	0	0	111.6	D192 R759 S769 S770 N773 L776	D192-F761 WeakPolarHBondContact OD2-CE2 3.28Å; D192-F761 VanDerWaalsContact OD2-CZ 3.28Å; D192-F761 WeakPolarHBondContact OD2-CZ 3.35Å; R759-F761 PolarHBondContact O-N 3.44Å; F761-S769 CarbonylContact O-C 3.52Å; F761-S769 VanDerWaalsContact O-CA 3.31Å; F761-S769 WeakPolarHBondContact O-CA 3.41Å; F761-S770 PolarHBondContact N-O 3.38Å; F761-S770 VanDerWaalsContact N-O 3.12Å; F761-S770 PolarHBondContact O-N 3.43Å; F761-N773 HydrophobicContact CD1-CB 3.96Å; F761-N773 HydrophobicContact CD2-CB 4.39Å; F761-N773 VanDerWaalsContact CD2-N 3.27Å; F761-N773 HydrophobicContact CE1-CB 3.84Å; F761-N773 HydrophobicContact CE2-CB 4.25Å; F761-N773 HydrophobicContact CG-CB 4.24Å; F761-N773 HydrophobicContact CZ-CB 3.98Å; F761-L776 HydrophobicContact CB-CB 4.01Å; F761-L776 HydrophobicContact CB-CD2 3.77Å; F761-L776 HydrophobicContact CB-CG 4.47Å
762	S	90.3	Very high	90.9	Very high	80 Å²	80	75.8 Å²	75.8	56%	0.559	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.6	146.5	175.1	54	0	0	0	0	113.2	P760 L776	P760-S762 PolarHBondContact O-N 3.21Å; S762-L776 WeakPolarHBondContact O-CD2 3.44Å
763	C	90.1	Very high	90.8	Very high	12 Å²	12	77.4 Å²	77.4	8%	0.081	40%	0.404	C	S	.	.			trans	-77.7	136.7	169.9	-169.7	0	0	0	0	110.2	E765 C766 Y768 L776 H779	C763-E765 VanDerWaalsContact C-N 3.28Å; C763-C766 WeakPolarHBondContact CB-O 3.39Å; C763-Y768 WeakPolarHBondContact CB-O 3.11Å; C763-Y768 PolarHBondContact N-O 3.42Å; C763-L776 HydrophobicContact CB-CD1 3.7Å; C763-H779 PolarHBondContact SG-NE2 3.31Å; C763-H779 VanDerWaalsContact SG-NE2 3.4Å
764	R	88.3	Confident	90.3	Very high	212 Å²	212	77.8 Å²	77.8	80%	0.8	41%	0.412	S	S	*	.	S	Bend	trans	-73	-22.7	176.1	-64.1	-172.7	179.8	-149.5	-1.3	112.8	D583	D583-R764 IonicContact OD1-NH1 3.28Å; D583-R764 PolarHBondContact OD1-NH1 3.34Å
765	E	84.7	Confident	90.1	Very high	113 Å²	113	75.3 Å²	75.3	53%	0.528	40%	0.396	S	S	.	.	S	Bend	trans	-101.4	-12.2	-172.4	-56.9	-68.5	161.3	0	0	113.7	C763 Y780 H784	C763-E765 VanDerWaalsContact C-N 3.28Å; E765-Y780 HydrophobicContact CG-CD2 4.38Å; E765-Y780 HydrophobicContact CG-CE2 3.65Å; E765-H784 HydrophobicContact CB-CB 4.38Å; E765-H784 WeakPolarHBondContact CB-CE1 3.35Å; E765-H784 WeakPolarHBondContact CB-ND1 3.39Å; E765-H784 HydrophobicContact CG-CB 4.21Å
766	C	88.7	Confident	90	Very high	45 Å²	45	72.8 Å²	72.8	30%	0.304	39%	0.385	S	S	.	.	S	Bend	trans	-160.6	167.8	173.2	73.7	0	0	0	0	112.2	C763 Y768 H779 H784	C763-C766 WeakPolarHBondContact CB-O 3.39Å; C766-Y768 PolarHBondContact O-N 3.44Å; C766-H779 PolarHBondContact SG-CE1 3.09Å; C766-H779 PolarHBondContact SG-NE2 3.06Å; C766-H784 PolarHBondContact SG-NE2 2.86Å
767	N	89.4	Confident	89.6	Confident	175 Å²	175	75.2 Å²	75.2	94%	0.936	39%	0.39	S	S	*	.	S	Bend	trans	-71.4	20	-176	-58.2	-13.6	0	0	0	115
768	Y	89.5	Confident	89.2	Confident	79 Å²	79	75.2 Å²	75.2	31%	0.31	38%	0.383	S	S	.	.			trans	-80.6	123	176.8	-179.1	-96.8	0	0	0	111.1	C763 C766 L776 H779	C763-Y768 WeakPolarHBondContact CB-O 3.11Å; C763-Y768 PolarHBondContact N-O 3.42Å; C766-Y768 PolarHBondContact O-N 3.44Å; Y768-L776 HydrophobicContact CD1-CD1 4.31Å; Y768-H779 WeakPolarHBondContact CB-CE1 3.38Å; Y768-H779 HydrophobicContact CD1-CB 3.73Å; Y768-H779 AromaticContact CD1-CD2 3.61Å; Y768-H779 AromaticContact CD1-CE1 3.8Å; Y768-H779 AromaticContact CD1-CG 3.26Å; Y768-H779 AromaticContact CD1-ND1 3.38Å; Y768-H779 WeakPolarHBondContact CD1-ND1 3.34Å; Y768-H779 AromaticContact CD1-NE2 3.96Å; Y768-H779 AromaticContact CD2-ND1 3.95Å; Y768-H779 HydrophobicContact CE1-CB 3.56Å; Y768-H779 AromaticContact CE1-CG 3.65Å; Y768-H779 AromaticContact CE1-ND1 3.91Å; Y768-H779 AromaticContact CG-CE1 3.55Å; Y768-H779 AromaticContact CG-CG 3.81Å; Y768-H779 AromaticContact CG-ND1 3.4Å
769	S	91.1	Very high	89	Confident	36 Å²	36	70.7 Å²	70.7	25%	0.252	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	149.9	171.7	64.3	0	0	0	0	112.3	R759 F761	R759-S769 WeakPolarHBondContact CB-OG 3.26Å; R759-S769 WeakPolarHBondContact CD-O 3.35Å; R759-S769 WeakPolarHBondContact CD-OG 3.35Å; R759-S769 PolarHBondContact NH1-O 3.15Å; F761-S769 CarbonylContact O-C 3.52Å; F761-S769 VanDerWaalsContact O-CA 3.31Å; F761-S769 WeakPolarHBondContact O-CA 3.41Å
770	S	90.2	Very high	88.5	Confident	10 Å²	10	67.3 Å²	67.3	7%	0.07	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	153.3	-176.4	-157.9	0	0	0	0	113.1	R759 F761 Q772 T775	R759-S770 CarbonylContact C-O 3.3Å; R759-S770 VanDerWaalsContact C-O 3.26Å; R759-S770 VanDerWaalsContact CA-O 3.28Å; R759-S770 WeakPolarHBondContact CA-O 3.48Å; F761-S770 PolarHBondContact N-O 3.38Å; F761-S770 VanDerWaalsContact N-O 3.12Å; F761-S770 PolarHBondContact O-N 3.43Å; S770-Q772 VanDerWaalsContact C-N 3.27Å; S770-Q772 PolarHBondContact O-N 3.3Å; S770-T775 WeakPolarHBondContact OG-CB 3.36Å; S770-T775 WeakPolarHBondContact OG-CG2 3.45Å
771	A	91.6	Very high	88	Confident	23 Å²	23	65.8 Å²	65.8	19%	0.19	34%	0.337	C	S	.	.	S	Bend	trans	-77.1	-10	174.2	0	0	0	0	0	113.7	R753 E758	R753-A771 HydrophobicContact CB-CB 3.98Å; R753-A771 WeakPolarHBondContact CD-O 3.43Å; R753-A771 PolarHBondContact NH1-O 3.24Å; E758-A771 WeakPolarHBondContact O-CB 3.35Å
772	Q	91.7	Very high	87.3	Confident	64 Å²	64	71.2 Å²	71.2	30%	0.299	36%	0.356	S	S	.	.	S	Bend	trans	-139.5	134.7	-176.6	-66.5	172.3	2.6	0	0	111.9	V750 S770 C774 T775 L776	V750-Q772 HydrophobicContact CG1-CG 3.62Å; S770-Q772 VanDerWaalsContact C-N 3.27Å; S770-Q772 PolarHBondContact O-N 3.3Å; Q772-C774 PolarHBondContact O-N 2.93Å; Q772-T775 PolarHBondContact O-N 2.84Å; Q772-T775 VanDerWaalsContact O-N 3.15Å; Q772-L776 PolarHBondContact O-N 3.36Å; Q772-L776 VanDerWaalsContact O-N 3.13Å
773	N	89.8	Confident	86.8	Confident	79 Å²	79	74.4 Å²	74.4	42%	0.422	36%	0.36	S	S	.	.	H	α-helix	trans	-58.3	-44.1	177.2	-173	-22.5	0	0	0	112.1	F761 T775 L776 K777	F761-N773 HydrophobicContact CD1-CB 3.96Å; F761-N773 HydrophobicContact CD2-CB 4.39Å; F761-N773 VanDerWaalsContact CD2-N 3.27Å; F761-N773 HydrophobicContact CE1-CB 3.84Å; F761-N773 HydrophobicContact CE2-CB 4.25Å; F761-N773 HydrophobicContact CG-CB 4.24Å; F761-N773 HydrophobicContact CZ-CB 3.98Å; N773-T775 PolarHBondContact O-N 3.49Å; N773-T775 VanDerWaalsContact O-N 3.13Å; N773-L776 CarbonylContact O-C 3.59Å; N773-L776 WeakPolarHBondContact O-CA 3.47Å; N773-L776 WeakPolarHBondContact O-CB 3.45Å; N773-L776 PolarHBondContact O-N 3.26Å; N773-K777 PolarHBondContact O-N 2.85Å
774	C	85.4	Confident	86.5	Confident	42 Å²	42	75.7 Å²	75.7	28%	0.284	36%	0.364	S	S	.	.	H	α-helix	trans	-59.2	-31	179.3	70.2	0	0	0	0	113.4	C194 Q772 S778	C194-C774 HydrophobicContact CB-CB 4.13Å; Q772-C774 PolarHBondContact O-N 2.93Å; C774-S778 VanDerWaalsContact O-CB 3.3Å; C774-S778 WeakPolarHBondContact O-CB 3.29Å; C774-S778 PolarHBondContact O-N 3.36Å; C774-S778 PolarHBondContact O-OG 3.27Å
775	T	88.8	Confident	85.6	Confident	45 Å²	45	69.2 Å²	69.2	28%	0.276	35%	0.35	S	S	.	.	H	α-helix	trans	-77.6	-37.7	176.3	-65.5	0	0	0	0	110.8	S770 Q772 N773 S778 H779	S770-T775 WeakPolarHBondContact OG-CB 3.36Å; S770-T775 WeakPolarHBondContact OG-CG2 3.45Å; Q772-T775 PolarHBondContact O-N 2.84Å; Q772-T775 VanDerWaalsContact O-N 3.15Å; N773-T775 PolarHBondContact O-N 3.49Å; N773-T775 VanDerWaalsContact O-N 3.13Å; T775-S778 PolarHBondContact O-N 2.9Å; T775-H779 WeakPolarHBondContact O-CB 3.4Å; T775-H779 PolarHBondContact O-N 3.22Å
776	L	89.6	Confident	84.6	Confident	25 Å²	25	67 Å²	67	13%	0.131	35%	0.345	C	S	.	.	H	α-helix	trans	-61.8	-50	169.2	176.4	64.3	0	0	0	111.8	F761 S762 C763 Y768 Q772 N773 S778 H779 Y780	F761-L776 HydrophobicContact CB-CB 4.01Å; F761-L776 HydrophobicContact CB-CD2 3.77Å; F761-L776 HydrophobicContact CB-CG 4.47Å; S762-L776 WeakPolarHBondContact O-CD2 3.44Å; C763-L776 HydrophobicContact CB-CD1 3.7Å; Y768-L776 HydrophobicContact CD1-CD1 4.31Å; Q772-L776 PolarHBondContact O-N 3.36Å; Q772-L776 VanDerWaalsContact O-N 3.13Å; N773-L776 CarbonylContact O-C 3.59Å; N773-L776 WeakPolarHBondContact O-CA 3.47Å; N773-L776 WeakPolarHBondContact O-CB 3.45Å; N773-L776 PolarHBondContact O-N 3.26Å; L776-S778 VanDerWaalsContact C-N 3.29Å; L776-S778 PolarHBondContact O-N 2.93Å; L776-H779 CarbonylContact O-C 3.56Å; L776-H779 WeakPolarHBondContact O-CA 3.39Å; L776-H779 WeakPolarHBondContact O-CB 3.41Å; L776-H779 PolarHBondContact O-N 3.24Å; L776-Y780 PolarHBondContact O-N 3.41Å
777	K	85.3	Confident	83.4	Confident	114 Å²	114	72.5 Å²	72.5	50%	0.496	37%	0.371	S	S	.	.	H	α-helix	trans	-57.8	-42.8	176.9	-172.9	169.7	-176	170.3	0	111.3	N773 H779 Y780 L781	N773-K777 PolarHBondContact O-N 2.85Å; K777-H779 VanDerWaalsContact C-N 3.35Å; K777-H779 PolarHBondContact O-N 2.89Å; K777-Y780 PolarHBondContact O-N 3.19Å; K777-L781 HydrophobicContact CG-CD1 4.27Å; K777-L781 VanDerWaalsContact O-CG 3.31Å; K777-L781 WeakPolarHBondContact O-CG 3.23Å; K777-L781 PolarHBondContact O-N 2.92Å
778	S	83	Confident	82.8	Confident	50 Å²	50	66.3 Å²	66.3	35%	0.35	34%	0.338	S	S	.	.	H	α-helix	trans	-65.4	-34.8	173.9	-60.3	0	0	0	0	113	C774 T775 L776 R782	C774-S778 VanDerWaalsContact O-CB 3.3Å; C774-S778 WeakPolarHBondContact O-CB 3.29Å; C774-S778 PolarHBondContact O-N 3.36Å; C774-S778 PolarHBondContact O-OG 3.27Å; T775-S778 PolarHBondContact O-N 2.9Å; L776-S778 VanDerWaalsContact C-N 3.29Å; L776-S778 PolarHBondContact O-N 2.93Å; S778-R782 WeakPolarHBondContact O-CB 3.2Å; S778-R782 VanDerWaalsContact O-CG 3.29Å; S778-R782 WeakPolarHBondContact O-CG 3.4Å; S778-R782 VanDerWaalsContact O-CZ 3.22Å; S778-R782 PolarHBondContact O-N 3.1Å; S778-R782 PolarHBondContact O-NE 3.46Å; S778-R782 PolarHBondContact O-NH2 2.93Å
779	H	87	Confident	82.3	Confident	15 Å²	15	65.6 Å²	65.6	7%	0.069	34%	0.338	C	S	.	.	H	α-helix	trans	-64.9	-52.4	171.6	158.4	92	0	0	0	110.4	C763 C766 Y768 T775 L776 K777 L781 R782 K783 H784	C763-H779 PolarHBondContact SG-NE2 3.31Å; C763-H779 VanDerWaalsContact SG-NE2 3.4Å; C766-H779 PolarHBondContact SG-CE1 3.09Å; C766-H779 PolarHBondContact SG-NE2 3.06Å; Y768-H779 WeakPolarHBondContact CB-CE1 3.38Å; Y768-H779 HydrophobicContact CD1-CB 3.73Å; Y768-H779 AromaticContact CD1-CD2 3.61Å; Y768-H779 AromaticContact CD1-CE1 3.8Å; Y768-H779 AromaticContact CD1-CG 3.26Å; Y768-H779 AromaticContact CD1-ND1 3.38Å; Y768-H779 WeakPolarHBondContact CD1-ND1 3.34Å; Y768-H779 AromaticContact CD1-NE2 3.96Å; Y768-H779 AromaticContact CD2-ND1 3.95Å; Y768-H779 HydrophobicContact CE1-CB 3.56Å; Y768-H779 AromaticContact CE1-CG 3.65Å; Y768-H779 AromaticContact CE1-ND1 3.91Å; Y768-H779 AromaticContact CG-CE1 3.55Å; Y768-H779 AromaticContact CG-CG 3.81Å; Y768-H779 AromaticContact CG-ND1 3.4Å; T775-H779 WeakPolarHBondContact O-CB 3.4Å; T775-H779 PolarHBondContact O-N 3.22Å; L776-H779 CarbonylContact O-C 3.56Å; L776-H779 WeakPolarHBondContact O-CA 3.39Å; L776-H779 WeakPolarHBondContact O-CB 3.41Å; L776-H779 PolarHBondContact O-N 3.24Å; K777-H779 VanDerWaalsContact C-N 3.35Å; K777-H779 PolarHBondContact O-N 2.89Å; H779-L781 PolarHBondContact O-N 3.32Å; H779-R782 PolarHBondContact O-N 2.8Å; H779-R782 VanDerWaalsContact O-N 3.14Å; H779-K783 WeakPolarHBondContact O-CB 3.43Å; H779-K783 PolarHBondContact O-N 3.16Å; H779-H784 AromaticContact NE2-CD2 3.73Å; H779-H784 AromaticContact NE2-NE2 3.56Å
780	Y	81.9	Confident	81.9	Confident	73 Å²	73	69.1 Å²	69.1	29%	0.286	35%	0.349	S	S	.	.	H	α-helix	trans	-54.3	-57	-177.7	-174.9	-87.8	0	0	0	110.3	E765 L776 K777 R782 K783 H784 T786	E765-Y780 HydrophobicContact CG-CD2 4.38Å; E765-Y780 HydrophobicContact CG-CE2 3.65Å; L776-Y780 PolarHBondContact O-N 3.41Å; K777-Y780 PolarHBondContact O-N 3.19Å; Y780-R782 VanDerWaalsContact C-N 3.27Å; Y780-R782 PolarHBondContact O-N 3.45Å; Y780-R782 VanDerWaalsContact O-N 3.15Å; Y780-K783 PolarHBondContact O-N 3.02Å; Y780-H784 HydrophobicContact CD2-CB 4.2Å; Y780-H784 HydrophobicContact CE2-CB 4.12Å; Y780-H784 HydrophobicContact CG-CB 4.5Å; Y780-H784 CarbonylContact O-C 3.58Å; Y780-H784 WeakPolarHBondContact O-CA 3.25Å; Y780-H784 PolarHBondContact O-N 3.1Å; Y780-T786 WeakPolarHBondContact CE1-OG1 3.32Å; Y780-T786 PolarHBondContact OH-OG1 2.64Å; Y780-T786 VanDerWaalsContact OH-OG1 3.1Å
781	L	79.1	Confident	81.7	Confident	45 Å²	45	68.6 Å²	68.6	24%	0.236	35%	0.346	C	S	.	.	H	α-helix	trans	-53.2	-41.7	179.1	-67.6	171.4	0	0	0	112.7	K777 H779 F799	K777-L781 HydrophobicContact CG-CD1 4.27Å; K777-L781 VanDerWaalsContact O-CG 3.31Å; K777-L781 WeakPolarHBondContact O-CG 3.23Å; K777-L781 PolarHBondContact O-N 2.92Å; H779-L781 PolarHBondContact O-N 3.32Å; L781-F799 HydrophobicContact CB-CB 4.32Å; L781-F799 HydrophobicContact CB-CD1 3.9Å; L781-F799 HydrophobicContact CB-CG 4.3Å; L781-F799 HydrophobicContact CD1-CB 4.33Å; L781-F799 HydrophobicContact CD2-CB 4.31Å; L781-F799 VanDerWaalsContact O-CD1 3.23Å; L781-F799 WeakPolarHBondContact O-CD1 3.48Å; L781-F799 WeakPolarHBondContact O-CE1 3.42Å
782	R	77.4	Confident	81.2	Confident	158 Å²	158	74.5 Å²	74.5	60%	0.596	37%	0.374	S	S	*	.	H	α-helix	trans	-83.9	-21.8	-176.2	-67.2	179.4	-58.8	-141.9	-1.1	115.3	S778 H779 Y780	S778-R782 WeakPolarHBondContact O-CB 3.2Å; S778-R782 VanDerWaalsContact O-CG 3.29Å; S778-R782 WeakPolarHBondContact O-CG 3.4Å; S778-R782 VanDerWaalsContact O-CZ 3.22Å; S778-R782 PolarHBondContact O-N 3.1Å; S778-R782 PolarHBondContact O-NE 3.46Å; S778-R782 PolarHBondContact O-NH2 2.93Å; H779-R782 PolarHBondContact O-N 2.8Å; H779-R782 VanDerWaalsContact O-N 3.14Å; Y780-R782 VanDerWaalsContact C-N 3.27Å; Y780-R782 PolarHBondContact O-N 3.45Å; Y780-R782 VanDerWaalsContact O-N 3.15Å
783	K	81.4	Confident	80.7	Confident	148 Å²	148	75.4 Å²	75.4	64%	0.643	38%	0.377	S	S	*	.	H	α-helix	trans	-112.3	-27.2	-174.3	-72.6	-63.2	-168.8	174.2	0	113.5	H779 Y780 P785	H779-K783 WeakPolarHBondContact O-CB 3.43Å; H779-K783 PolarHBondContact O-N 3.16Å; Y780-K783 PolarHBondContact O-N 3.02Å; K783-P785 WeakPolarHBondContact O-CD 3.44Å
784	H	82.1	Confident	80.5	Confident	38 Å²	38	73.5 Å²	73.5	18%	0.176	37%	0.37	C	S	.	.	S	Bend	trans	-123.8	71.7	176.5	-53.7	-74.7	0	0	0	107.6	E765 C766 H779 Y780 T786	E765-H784 HydrophobicContact CB-CB 4.38Å; E765-H784 WeakPolarHBondContact CB-CE1 3.35Å; E765-H784 WeakPolarHBondContact CB-ND1 3.39Å; E765-H784 HydrophobicContact CG-CB 4.21Å; C766-H784 PolarHBondContact SG-NE2 2.86Å; H779-H784 AromaticContact NE2-CD2 3.73Å; H779-H784 AromaticContact NE2-NE2 3.56Å; Y780-H784 HydrophobicContact CD2-CB 4.2Å; Y780-H784 HydrophobicContact CE2-CB 4.12Å; Y780-H784 HydrophobicContact CG-CB 4.5Å; Y780-H784 CarbonylContact O-C 3.58Å; Y780-H784 WeakPolarHBondContact O-CA 3.25Å; Y780-H784 PolarHBondContact O-N 3.1Å; H784-T786 PolarHBondContact O-N 3.11Å
785	P	69.5	Low	80.2	Confident	77 Å²	77	74.7 Å²	74.7	50%	0.5	38%	0.378	S	S	.	.			trans	-70.2	73.2	-179.4	29.8	-36	0	0	0	111.6	K783 L788	K783-P785 WeakPolarHBondContact O-CD 3.44Å; P785-L788 HydrophobicContact CB-CD1 3.59Å; P785-L788 HydrophobicContact CB-CD2 4Å; P785-L788 HydrophobicContact CB-CG 3.8Å
786	T	63.9	Low	79.9	Confident	67 Å²	67	78.1 Å²	78.1	41%	0.411	39%	0.391	S	S	.	.			trans	-90.8	144.6	166.9	55.3	0	0	0	0	108.7	Y780 H784 L788	Y780-T786 WeakPolarHBondContact CE1-OG1 3.32Å; Y780-T786 PolarHBondContact OH-OG1 2.64Å; Y780-T786 VanDerWaalsContact OH-OG1 3.1Å; H784-T786 PolarHBondContact O-N 3.11Å; T786-L788 VanDerWaalsContact C-N 3.33Å; T786-L788 PolarHBondContact O-N 3.35Å
787	N	64.7	Low	79.4	Confident	160 Å²	160	81.3 Å²	81.3	86%	0.856	41%	0.408	S	S	*	.	S	Bend	trans	53.6	40.2	178.2	-56.9	-17.9	0	0	0	115.3
788	L	77	Confident	79.1	Confident	45 Å²	45	77.3 Å²	77.3	24%	0.236	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-65.9	134	169.5	-61.9	-170.6	0	0	0	111	P785 T786 L797 F798 F799	P785-L788 HydrophobicContact CB-CD1 3.59Å; P785-L788 HydrophobicContact CB-CD2 4Å; P785-L788 HydrophobicContact CB-CG 3.8Å; T786-L788 VanDerWaalsContact C-N 3.33Å; T786-L788 PolarHBondContact O-N 3.35Å; L788-L797 HydrophobicContact CB-CB 4.2Å; L788-L797 HydrophobicContact CD1-CB 3.83Å; L788-L797 HydrophobicContact CD1-CD1 3.91Å; L788-L797 HydrophobicContact CD1-CG 4.46Å; L788-F798 WeakPolarHBondContact CA-O 3.22Å; L788-F799 HydrophobicContact CD1-CE1 4.44Å; L788-F799 HydrophobicContact CD2-CD1 3.24Å; L788-F799 HydrophobicContact CD2-CE1 3.51Å; L788-F799 HydrophobicContact CD2-CG 4.12Å
789	I	77.5	Confident	78.6	Confident	64 Å²	64	78.5 Å²	78.5	33%	0.328	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	119.4	178.3	-44	178.5	0	0	0	108.7	F798 E801 L804	I789-F798 PolarHBondContact N-O 3.4Å; I789-F798 PolarHBondContact O-N 3.43Å; I789-E801 HydrophobicContact CD1-CB 4.04Å; I789-L804 HydrophobicContact CG2-CD2 3.57Å
790	K	83.1	Confident	77.9	Confident	109 Å²	109	79.8 Å²	79.8	47%	0.474	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	136.6	179.3	-174.3	-177.7	178.6	-173.2	0	111.1	N792 S795 L797	K790-N792 PolarHBondContact O-N 3.08Å; K790-S795 WeakPolarHBondContact CE-OG 3.33Å; K790-S795 PolarHBondContact NZ-OG 3.33Å; K790-L797 HydrophobicContact CB-CD2 3.82Å; K790-L797 HydrophobicContact CG-CD2 3.96Å
791	C	85.6	Confident	77.7	Confident	0 Å²	0	80.3 Å²	80.3	0%	0	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-72.3	119.9	165.3	174.9	0	0	0	0	110.5	F793 S795 E796 F798 L804 H807	C791-F793 PolarHBondContact O-N 3.16Å; C791-F793 PolarHBondContact SG-N 2.99Å; C791-F793 VanDerWaalsContact SG-N 3.43Å; C791-S795 VanDerWaalsContact O-CA 3.25Å; C791-S795 WeakPolarHBondContact O-CA 3.39Å; C791-S795 PolarHBondContact O-N 2.95Å; C791-E796 PolarHBondContact N-O 3.39Å; C791-F798 HydrophobicContact CB-CE2 3.89Å; C791-L804 HydrophobicContact CB-CD1 3.65Å; C791-H807 VanDerWaalsContact SG-CD2 3.58Å; C791-H807 PolarHBondContact SG-NE2 3.48Å
792	N	82.4	Confident	77.8	Confident	147 Å²	147	80.3 Å²	80.3	79%	0.786	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-22.7	179.9	-68.6	-10.3	0	0	0	113.7	K790	K790-N792 PolarHBondContact O-N 3.08Å
793	F	81.5	Confident	78	Confident	83 Å²	83	76.5 Å²	76.5	36%	0.364	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-42	-176.9	-57.6	-79.3	0	0	0	113.8	C791 L808 L813 Q817	C791-F793 PolarHBondContact O-N 3.16Å; C791-F793 PolarHBondContact SG-N 2.99Å; C791-F793 VanDerWaalsContact SG-N 3.43Å; F793-L808 HydrophobicContact CD2-CD2 3.58Å; F793-L808 HydrophobicContact CE2-CD2 3.78Å; F793-L813 HydrophobicContact CB-CB 3.78Å; F793-L813 WeakPolarHBondContact CD1-O 3.48Å; F793-L813 VanDerWaalsContact O-CD1 3.25Å; F793-L813 WeakPolarHBondContact O-CD1 3.39Å; F793-Q817 HydrophobicContact CE1-CB 4.49Å
794	C	84.5	Confident	78.3	Confident	39 Å²	39	70.5 Å²	70.5	26%	0.264	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.2	2.5	-175.1	80.2	0	0	0	0	115	E796 H807 L813	C794-E796 PolarHBondContact O-N 3.11Å; C794-E796 VanDerWaalsContact O-N 3.1Å; C794-E796 WeakPolarHBondContact SG-CG 3.44Å; C794-H807 PolarHBondContact SG-CE1 3.04Å; C794-H807 PolarHBondContact SG-NE2 2.96Å; C794-L813 HydrophobicContact CB-CD1 3.77Å
795	S	79.4	Confident	78.4	Confident	66 Å²	66	70.7 Å²	70.7	46%	0.462	37%	0.371	S	S	.	.			trans	61.8	8.1	-179.5	-61.3	0	0	0	0	117.3	K790 C791	K790-S795 WeakPolarHBondContact CE-OG 3.33Å; K790-S795 PolarHBondContact NZ-OG 3.33Å; C791-S795 VanDerWaalsContact O-CA 3.25Å; C791-S795 WeakPolarHBondContact O-CA 3.39Å; C791-S795 PolarHBondContact O-N 2.95Å
796	E	81.9	Confident	79.1	Confident	118 Å²	118	72.4 Å²	72.4	55%	0.551	37%	0.371	S	S	*	.			trans	-60.8	148.5	168.7	-74.2	-73	160.1	0	0	111	C791 C794 F798	C791-E796 PolarHBondContact N-O 3.39Å; C794-E796 PolarHBondContact O-N 3.11Å; C794-E796 VanDerWaalsContact O-N 3.1Å; C794-E796 WeakPolarHBondContact SG-CG 3.44Å; E796-F798 HydrophobicContact CB-CE2 3.55Å; E796-F798 HydrophobicContact CB-CZ 3.55Å; E796-F798 WeakPolarHBondContact O-CE2 3.15Å
797	L	79	Confident	80.2	Confident	91 Å²	91	71.2 Å²	71.2	48%	0.476	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	137.3	-174.9	-58.2	177	0	0	0	111.3	L788 K790	L788-L797 HydrophobicContact CB-CB 4.2Å; L788-L797 HydrophobicContact CD1-CB 3.83Å; L788-L797 HydrophobicContact CD1-CD1 3.91Å; L788-L797 HydrophobicContact CD1-CG 4.46Å; K790-L797 HydrophobicContact CB-CD2 3.82Å; K790-L797 HydrophobicContact CG-CD2 3.96Å
798	F	80.3	Confident	81.1	Confident	30 Å²	30	66.3 Å²	66.3	13%	0.132	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	147.9	-174.1	-60.5	-76.8	0	0	0	112	L788 I789 C791 E796 E803 L804 H807	L788-F798 WeakPolarHBondContact CA-O 3.22Å; I789-F798 PolarHBondContact N-O 3.4Å; I789-F798 PolarHBondContact O-N 3.43Å; C791-F798 HydrophobicContact CB-CE2 3.89Å; E796-F798 HydrophobicContact CB-CE2 3.55Å; E796-F798 HydrophobicContact CB-CZ 3.55Å; E796-F798 WeakPolarHBondContact O-CE2 3.15Å; F798-E803 HydrophobicContact CB-CB 4.02Å; F798-E803 HydrophobicContact CD1-CB 3.88Å; F798-E803 HydrophobicContact CG-CB 4.32Å; F798-L804 HydrophobicContact CB-CB 4.12Å; F798-L804 HydrophobicContact CD2-CB 4Å; F798-L804 HydrophobicContact CD2-CD1 3.72Å; F798-L804 HydrophobicContact CD2-CG 4.46Å; F798-L804 HydrophobicContact CE2-CD1 3.98Å; F798-L804 HydrophobicContact CG-CB 4.12Å; F798-H807 HydrophobicContact CD1-CB 4.41Å; F798-H807 HydrophobicContact CE1-CB 3.61Å; F798-H807 AromaticContact CE1-CG 3.93Å; F798-H807 HydrophobicContact CE2-CB 3.96Å; F798-H807 AromaticContact CE2-CD2 3.67Å; F798-H807 AromaticContact CE2-CG 3.66Å; F798-H807 HydrophobicContact CZ-CB 3.36Å; F798-H807 AromaticContact CZ-CD2 3.67Å; F798-H807 AromaticContact CZ-CG 3.16Å; F798-H807 AromaticContact CZ-ND1 3.47Å; F798-H807 WeakPolarHBondContact CZ-ND1 3.44Å
799	F	71.3	Confident	81.4	Confident	75 Å²	75	70.6 Å²	70.6	33%	0.329	35%	0.347	S	S	.	.	S	Bend	trans	-88.4	-12	-176.1	-54.1	-80	0	0	0	113.1	L781 L788 E803	L781-F799 HydrophobicContact CB-CB 4.32Å; L781-F799 HydrophobicContact CB-CD1 3.9Å; L781-F799 HydrophobicContact CB-CG 4.3Å; L781-F799 HydrophobicContact CD1-CB 4.33Å; L781-F799 HydrophobicContact CD2-CB 4.31Å; L781-F799 VanDerWaalsContact O-CD1 3.23Å; L781-F799 WeakPolarHBondContact O-CD1 3.48Å; L781-F799 WeakPolarHBondContact O-CE1 3.42Å; L788-F799 HydrophobicContact CD1-CE1 4.44Å; L788-F799 HydrophobicContact CD2-CD1 3.24Å; L788-F799 HydrophobicContact CD2-CE1 3.51Å; L788-F799 HydrophobicContact CD2-CG 4.12Å; F799-E803 WeakPolarHBondContact CB-OE2 3.45Å; F799-E803 WeakPolarHBondContact CD2-OE2 3.4Å; F799-E803 PolarHBondContact N-OE2 3.04Å; F799-E803 VanDerWaalsContact N-OE2 3.11Å
800	T	71.8	Confident	81.4	Confident	43 Å²	43	70.7 Å²	70.7	26%	0.264	36%	0.364	S	S	.	.	S	Bend	trans	-149.6	154.9	-179.7	56.7	0	0	0	0	110.9	L802 E803 L804	T800-L802 PolarHBondContact O-N 2.94Å; T800-E803 PolarHBondContact O-N 2.77Å; T800-E803 VanDerWaalsContact O-N 3.08Å; T800-E803 VanDerWaalsContact OG1-CG 3.32Å; T800-E803 WeakPolarHBondContact OG1-CG 3.46Å; T800-E803 PolarHBondContact OG1-N 3.39Å; T800-L804 PolarHBondContact O-N 3.48Å; T800-L804 VanDerWaalsContact O-N 3.16Å
801	E	79.3	Confident	81.4	Confident	84 Å²	84	65.7 Å²	65.7	39%	0.393	34%	0.343	S	S	.	.	H	α-helix	trans	-62.4	-31	176.6	-169.1	-177.3	160	0	0	111.5	L206 I789 L804 T805	L206-E801 WeakPolarHBondContact CD1-OE2 3.47Å; I789-E801 HydrophobicContact CD1-CB 4.04Å; E801-L804 PolarHBondContact O-N 3.16Å; E801-T805 VanDerWaalsContact O-CB 3.28Å; E801-T805 WeakPolarHBondContact O-CB 3.05Å; E801-T805 PolarHBondContact O-N 3.14Å; E801-T805 PolarHBondContact O-OG1 3.12Å
802	L	81.5	Confident	80.8	Confident	45 Å²	45	70.2 Å²	70.2	24%	0.236	37%	0.374	C	S	.	.	H	α-helix	trans	-62.2	-42.1	172.9	179.6	70.1	0	0	0	113	L199 T800 T805 K806	L199-L802 HydrophobicContact CD1-CD2 3.38Å; L199-L802 HydrophobicContact CD2-CB 4.01Å; L199-L802 HydrophobicContact CD2-CD1 3.77Å; L199-L802 HydrophobicContact CD2-CD2 3.42Å; L199-L802 VanDerWaalsContact CD2-CD2 3.42Å; L199-L802 HydrophobicContact CD2-CG 3.89Å; L199-L802 HydrophobicContact CG-CD2 4.01Å; T800-L802 PolarHBondContact O-N 2.94Å; L802-T805 PolarHBondContact O-N 3.25Å; L802-K806 HydrophobicContact CD1-CD 4.47Å; L802-K806 HydrophobicContact CG-CD 4.12Å; L802-K806 WeakPolarHBondContact O-CB 3.43Å; L802-K806 VanDerWaalsContact O-CG 3.29Å; L802-K806 WeakPolarHBondContact O-CG 3.49Å; L802-K806 PolarHBondContact O-N 3.4Å
803	E	81.5	Confident	80.3	Confident	78 Å²	78	66.8 Å²	66.8	36%	0.364	36%	0.355	S	S	.	.	H	α-helix	trans	-67.2	-42.9	178.3	-76.8	177.5	160.2	0	0	110.6	F798 F799 T800 T805 K806 H807	F798-E803 HydrophobicContact CB-CB 4.02Å; F798-E803 HydrophobicContact CD1-CB 3.88Å; F798-E803 HydrophobicContact CG-CB 4.32Å; F799-E803 WeakPolarHBondContact CB-OE2 3.45Å; F799-E803 WeakPolarHBondContact CD2-OE2 3.4Å; F799-E803 PolarHBondContact N-OE2 3.04Å; F799-E803 VanDerWaalsContact N-OE2 3.11Å; T800-E803 PolarHBondContact O-N 2.77Å; T800-E803 VanDerWaalsContact O-N 3.08Å; T800-E803 VanDerWaalsContact OG1-CG 3.32Å; T800-E803 WeakPolarHBondContact OG1-CG 3.46Å; T800-E803 PolarHBondContact OG1-N 3.39Å; E803-T805 PolarHBondContact O-N 2.84Å; E803-K806 PolarHBondContact O-N 3.3Å; E803-H807 WeakPolarHBondContact O-CB 3.43Å; E803-H807 PolarHBondContact O-N 2.85Å
804	L	86.2	Confident	79.5	Confident	22 Å²	22	63.5 Å²	63.5	12%	0.115	34%	0.342	C	S	.	.	H	α-helix	trans	-58.6	-47.4	170.1	175.3	62.1	0	0	0	111.1	I789 C791 F798 T800 E801 K806 H807 L808	I789-L804 HydrophobicContact CG2-CD2 3.57Å; C791-L804 HydrophobicContact CB-CD1 3.65Å; F798-L804 HydrophobicContact CB-CB 4.12Å; F798-L804 HydrophobicContact CD2-CB 4Å; F798-L804 HydrophobicContact CD2-CD1 3.72Å; F798-L804 HydrophobicContact CD2-CG 4.46Å; F798-L804 HydrophobicContact CE2-CD1 3.98Å; F798-L804 HydrophobicContact CG-CB 4.12Å; T800-L804 PolarHBondContact O-N 3.48Å; T800-L804 VanDerWaalsContact O-N 3.16Å; E801-L804 PolarHBondContact O-N 3.16Å; L804-K806 VanDerWaalsContact C-N 3.34Å; L804-K806 PolarHBondContact O-N 3.05Å; L804-H807 CarbonylContact O-C 3.57Å; L804-H807 WeakPolarHBondContact O-CA 3.33Å; L804-H807 WeakPolarHBondContact O-CB 3.26Å; L804-H807 PolarHBondContact O-N 3.39Å; L804-L808 HydrophobicContact CD1-CD1 4.11Å; L804-L808 HydrophobicContact CD1-CD2 4.15Å; L804-L808 HydrophobicContact CD1-CG 3.82Å; L804-L808 HydrophobicContact CD2-CD1 4.34Å; L804-L808 HydrophobicContact CG-CD1 3.85Å; L804-L808 HydrophobicContact CG-CG 4.04Å; L804-L808 WeakPolarHBondContact O-CG 3.43Å; L804-L808 PolarHBondContact O-N 3.37Å
805	T	83.8	Confident	78.1	Confident	41 Å²	41	65.7 Å²	65.7	25%	0.252	35%	0.348	S	S	.	.	H	α-helix	trans	-61	-41.2	-179.9	-62.7	0	0	0	0	112	E801 L802 E803 H807 L808 R809	E801-T805 VanDerWaalsContact O-CB 3.28Å; E801-T805 WeakPolarHBondContact O-CB 3.05Å; E801-T805 PolarHBondContact O-N 3.14Å; E801-T805 PolarHBondContact O-OG1 3.12Å; L802-T805 PolarHBondContact O-N 3.25Å; E803-T805 PolarHBondContact O-N 2.84Å; T805-H807 VanDerWaalsContact C-N 3.32Å; T805-L808 PolarHBondContact O-N 3.4Å; T805-R809 WeakPolarHBondContact O-CG 3.48Å; T805-R809 PolarHBondContact O-N 3.47Å
806	K	84.7	Confident	76.9	Confident	113 Å²	113	69.1 Å²	69.1	49%	0.491	36%	0.36	S	S	.	.	H	α-helix	trans	-64.7	-38.2	173.5	-75.7	166.6	-179.1	162.5	0	111.6	L802 E803 L804	L802-K806 HydrophobicContact CD1-CD 4.47Å; L802-K806 HydrophobicContact CG-CD 4.12Å; L802-K806 WeakPolarHBondContact O-CB 3.43Å; L802-K806 VanDerWaalsContact O-CG 3.29Å; L802-K806 WeakPolarHBondContact O-CG 3.49Å; L802-K806 PolarHBondContact O-N 3.4Å; E803-K806 PolarHBondContact O-N 3.3Å; L804-K806 VanDerWaalsContact C-N 3.34Å; L804-K806 PolarHBondContact O-N 3.05Å
807	H	87.2	Confident	75.6	Confident	43 Å²	43	71.3 Å²	71.3	20%	0.199	37%	0.37	C	S	.	.	H	α-helix	trans	-67.1	-47.1	174.1	166.4	81.9	0	0	0	111.8	C791 C794 F798 E803 L804 T805 R809 G810 C811	C791-H807 VanDerWaalsContact SG-CD2 3.58Å; C791-H807 PolarHBondContact SG-NE2 3.48Å; C794-H807 PolarHBondContact SG-CE1 3.04Å; C794-H807 PolarHBondContact SG-NE2 2.96Å; F798-H807 HydrophobicContact CD1-CB 4.41Å; F798-H807 HydrophobicContact CE1-CB 3.61Å; F798-H807 AromaticContact CE1-CG 3.93Å; F798-H807 HydrophobicContact CE2-CB 3.96Å; F798-H807 AromaticContact CE2-CD2 3.67Å; F798-H807 AromaticContact CE2-CG 3.66Å; F798-H807 HydrophobicContact CZ-CB 3.36Å; F798-H807 AromaticContact CZ-CD2 3.67Å; F798-H807 AromaticContact CZ-CG 3.16Å; F798-H807 AromaticContact CZ-ND1 3.47Å; F798-H807 WeakPolarHBondContact CZ-ND1 3.44Å; E803-H807 WeakPolarHBondContact O-CB 3.43Å; E803-H807 PolarHBondContact O-N 2.85Å; L804-H807 CarbonylContact O-C 3.57Å; L804-H807 WeakPolarHBondContact O-CA 3.33Å; L804-H807 WeakPolarHBondContact O-CB 3.26Å; L804-H807 PolarHBondContact O-N 3.39Å; T805-H807 VanDerWaalsContact C-N 3.32Å; H807-R809 PolarHBondContact O-N 3.1Å; H807-G810 CarbonylContact O-C 3.55Å; H807-G810 VanDerWaalsContact O-C 3.3Å; H807-G810 WeakPolarHBondContact O-CA 3.43Å; H807-G810 PolarHBondContact O-N 2.95Å; H807-C811 WeakPolarHBondContact NE2-CB 3.33Å; H807-C811 PolarHBondContact NE2-SG 3.48Å; H807-C811 WeakPolarHBondContact O-CB 3.35Å; H807-C811 PolarHBondContact O-N 2.91Å
808	L	84.5	Confident	74.3	Confident	57 Å²	57	76.1 Å²	76.1	30%	0.298	39%	0.391	S	S	.	.	H	α-helix	trans	-58.2	-32.8	-179.2	-72.8	175.4	0	0	0	112.8	F793 L804 T805 G810 S814	F793-L808 HydrophobicContact CD2-CD2 3.58Å; F793-L808 HydrophobicContact CE2-CD2 3.78Å; L804-L808 HydrophobicContact CD1-CD1 4.11Å; L804-L808 HydrophobicContact CD1-CD2 4.15Å; L804-L808 HydrophobicContact CD1-CG 3.82Å; L804-L808 HydrophobicContact CD2-CD1 4.34Å; L804-L808 HydrophobicContact CG-CD1 3.85Å; L804-L808 HydrophobicContact CG-CG 4.04Å; L804-L808 WeakPolarHBondContact O-CG 3.43Å; L804-L808 PolarHBondContact O-N 3.37Å; T805-L808 PolarHBondContact O-N 3.4Å; L808-G810 PolarHBondContact O-N 3.41Å; L808-S814 PolarHBondContact O-OG 3.31Å
809	R	82.9	Confident	74	Confident	134 Å²	134	78.5 Å²	78.5	51%	0.506	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-15.6	172.6	-71.2	173.6	-173.4	159.8	5.1	114.7	V130 T805 H807	V130-R809 WeakPolarHBondContact CG2-O 3.44Å; T805-R809 WeakPolarHBondContact O-CG 3.48Å; T805-R809 PolarHBondContact O-N 3.47Å; H807-R809 PolarHBondContact O-N 3.1Å
810	G	77.7	Confident	74.2	Confident	66 Å²	66	78.6 Å²	78.6	68%	0.68	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.7	12.5	178.9	0	0	0	0	0	113.7	H807 L808 S812	H807-G810 CarbonylContact O-C 3.55Å; H807-G810 VanDerWaalsContact O-C 3.3Å; H807-G810 WeakPolarHBondContact O-CA 3.43Å; H807-G810 PolarHBondContact O-N 2.95Å; L808-G810 PolarHBondContact O-N 3.41Å; G810-S812 PolarHBondContact O-N 3.14Å
811	C	82.5	Confident	74.3	Confident	5 Å²	5	80.6 Å²	80.6	3%	0.034	42%	0.415	C	S	.	.			trans	-76.1	116.3	-179.2	-176.8	0	0	0	0	108.1	H807 L813 S814	H807-C811 WeakPolarHBondContact NE2-CB 3.33Å; H807-C811 PolarHBondContact NE2-SG 3.48Å; H807-C811 WeakPolarHBondContact O-CB 3.35Å; H807-C811 PolarHBondContact O-N 2.91Å; C811-L813 PolarHBondContact O-N 3.42Å; C811-S814 PolarHBondContact O-N 3.39Å; C811-S814 VanDerWaalsContact O-N 3.1Å; C811-S814 PolarHBondContact O-OG 3.27Å
812	S	73.3	Confident	74	Confident	94 Å²	94	80.4 Å²	80.4	66%	0.657	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-21.9	179.3	49.5	0	0	0	0	113.4	G810	G810-S812 PolarHBondContact O-N 3.14Å
813	L	70.9	Confident	73.5	Confident	76 Å²	76	82.6 Å²	82.6	40%	0.398	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-16	179.7	-63.8	175.2	0	0	0	113.7	F793 C794 C811 F815 L816	F793-L813 HydrophobicContact CB-CB 3.78Å; F793-L813 WeakPolarHBondContact CD1-O 3.48Å; F793-L813 VanDerWaalsContact O-CD1 3.25Å; F793-L813 WeakPolarHBondContact O-CD1 3.39Å; C794-L813 HydrophobicContact CB-CD1 3.77Å; C811-L813 PolarHBondContact O-N 3.42Å; L813-F815 VanDerWaalsContact C-N 3.35Å; L813-L816 HydrophobicContact CD2-CD1 4.04Å
814	S	65	Low	73	Confident	13 Å²	13	82.9 Å²	82.9	9%	0.091	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-30.5	171.7	64.5	0	0	0	0	111.9	L808 C811	L808-S814 PolarHBondContact O-OG 3.31Å; C811-S814 PolarHBondContact O-N 3.39Å; C811-S814 VanDerWaalsContact O-N 3.1Å; C811-S814 PolarHBondContact O-OG 3.27Å
815	F	54.9	Low	72.1	Confident	85 Å²	85	87.3 Å²	87.3	37%	0.373	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-6.1	-179	-143.7	-86.4	0	0	0	114.2	L813	L813-F815 VanDerWaalsContact C-N 3.35Å
816	L	55.3	Low	71.2	Confident	139 Å²	139	90.8 Å²	90.8	73%	0.728	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-1.5	176.2	-88.7	163.1	0	0	0	113.2	L813	L813-L816 HydrophobicContact CD2-CD1 4.04Å
817	Q	54.4	Low	70	Confident	163 Å²	163	89 Å²	89	76%	0.762	47%	0.469	S	S	*	.			trans	-132.1	4.7	-176.5	-160.9	152.3	1.1	0	0	113.6	F793	F793-Q817 HydrophobicContact CE1-CB 4.49Å
818	Q	51.8	Low	68.5	Low	193 Å²	193	93.2 Å²	93.2	90%	0.902	49%	0.494	S	S	*	.			trans	-97.5	0	158	-69.5	-174	-1.7	0	0	109.1

Retrieved 818 of 818 residues in 415.1 ms (Link to these results)

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