A0A087YBX9_POEFO Loading...

PDZ domain containing ring finger 4

AlphaFold DB , UniProt , Accession A0A087YBX9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 819 aa.

						>A0A087YBX9_POEFO|A0A087YBX9
MGCNLCTLQKREEHYKLLYEIAQVNGRDFSKVEHDESVVEAIRRDPIVVQVLRRTPARATVVQRSCGAAQDVCVVDVCTQTDITFEHIMALAKLRPATPPVPDICPFLLSDSCQSIHTLEHDFYECPEYMSNTPGEVERTEEYEYEEVELCRANREDKLGLTLCYRTDDEEDTGIYVSQVEPNSIAARDGRIKEGDRILQINGFEVQDREKAVALLSSEEAKSIRLLVTRPEIQLEEEAVWLDDEQQRLVEELKMEILEEKRKQREQSFEMADKLQGDEDVTTDTATCSSNNQDSGFGRSTDSTEHQPLLARLYRRSPAQCLRDRWQSEHPHNRRGTVVPQHAQSTKTHSTSQGNESVVSIRNSGCGVRGLENCFQQLLELKCQIRNGGECGVYSIRHSIECSLTGQGGGDGDSEGDVGAGGGVEQELKMLNEELRSIELECQSIMQAHQLRKSQQLEQSQSAPCSPGTNQKTGQKRHGRLADIHEYPERSDSDRVREKDSSSAYNTAESARSTPLGMERSPDHSLQRQISITNQKNLRLASSAPSNPIPIPKPQGTHRPCRPADQGPVISSSPDQSNPSRSESDPALPADDERCDKKGRSRDSRRALPYGASYQTGTYHGQGGSKQLQSYMQLLQQHSSLEYSQSQLSLLSVCRDPMHRNGRTGEPRLEWKVKVRADGTRYVARRPARDRILRERALRIREERSGGMTTDDDAMSEMKMGRYWSKEERKQHLARAREQRKRREFMQKSRLDCLKEGPASGTEGKKEINILELSHKKMMKKRNKKILDNWMTIQELMSHGARVPEGSTVHNAFLSVTTV
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.8	Very low	38.3	Very low	242 Å²	242	150.5 Å²	150.5	100%	1.192	82%	0.816	S	S	*	*				0	142.1	0	-64	-59	-103.4	0	0	107.9
2	G	32	Very low	38.8	Very low	74 Å²	74	149.2 Å²	149.2	76%	0.763	80%	0.8	S	S	*	*			trans	-73	147.4	-160.4	0	0	0	0	0	115.7
3	C	29.4	Very low	39.2	Very low	122 Å²	122	143.3 Å²	143.3	82%	0.824	77%	0.765	S	S	*	*			trans	-93.8	109.2	164.3	-175.8	0	0	0	0	108.7
4	N	41.4	Very low	39.7	Very low	155 Å²	155	141.6 Å²	141.6	83%	0.829	75%	0.75	S	S	*	*			trans	-112.8	81.4	179.6	-76.8	-3	0	0	0	110.1
5	L	36	Very low	40	Very low	150 Å²	150	143.1 Å²	143.1	79%	0.785	74%	0.743	S	S	*	*			trans	-155.4	55.3	170.9	-113.7	157.8	0	0	0	112.5
6	C	41	Very low	40.4	Very low	134 Å²	134	144.9 Å²	144.9	91%	0.905	74%	0.743	S	S	*	*			trans	-114.2	81.3	169.3	-74.8	0	0	0	0	110.8
7	T	37.7	Very low	40.9	Very low	122 Å²	122	142.3 Å²	142.3	75%	0.748	73%	0.73	S	S	*	*			trans	-134.4	116.2	164.9	44.1	0	0	0	0	109.6	Q9	T7-Q9 PolarHBondContact O-N 3.21Å
8	L	42.1	Very low	41.5	Very low	183 Å²	183	138.5 Å²	138.5	96%	0.958	71%	0.711	S	S	*	*			trans	-72.3	106.5	175.8	-74.4	155.5	0	0	0	109.8
9	Q	40.8	Very low	41.8	Very low	121 Å²	121	136.7 Å²	136.7	57%	0.565	70%	0.695	S	S	*	*			trans	-94.9	128.8	172.4	-166.4	135.3	43.8	0	0	110.2	T7 E13	T7-Q9 PolarHBondContact O-N 3.21Å; Q9-E13 HydrophobicContact CG-CB 3.96Å; Q9-E13 WeakPolarHBondContact CG-OE2 3.33Å; Q9-E13 PolarHBondContact NE2-OE2 3.29Å
10	K	45	Very low	42.6	Very low	128 Å²	128	133.5 Å²	133.5	56%	0.557	68%	0.677	S	S	*	*			trans	-70.5	149.3	-175.7	-65	-179.7	-178.5	177.2	0	111.5	E12 E13	K10-E12 WeakPolarHBondContact CD-OE2 3.4Å; K10-E12 PolarHBondContact O-N 2.84Å; K10-E12 VanDerWaalsContact O-N 3.09Å; K10-E13 PolarHBondContact O-N 3.24Å
11	R	43.5	Very low	43.4	Very low	224 Å²	224	131.7 Å²	131.7	85%	0.845	67%	0.668	S	S	*	*	H	α-helix	trans	-55.5	-30.1	177	-129.1	177.1	-171.7	172.5	2	112.9	H14	R11-H14 WeakPolarHBondContact O-CB 3.44Å; R11-H14 PolarHBondContact O-N 3.22Å
12	E	44.3	Very low	44.6	Very low	135 Å²	135	121 Å²	121	63%	0.631	62%	0.619	S	S	*	*	H	α-helix	trans	-63.9	-36.9	176.4	-64.4	146	175.4	0	0	112.9	K10 H14	K10-E12 WeakPolarHBondContact CD-OE2 3.4Å; K10-E12 PolarHBondContact O-N 2.84Å; K10-E12 VanDerWaalsContact O-N 3.09Å; E12-H14 VanDerWaalsContact C-N 3.34Å
13	E	44.3	Very low	45.9	Very low	73 Å²	73	119.9 Å²	119.9	34%	0.341	59%	0.594	S	S	.	*	H	α-helix	trans	-75.1	-27.9	-179.1	-66.1	168	-127.9	0	0	111.6	Q9 K10 Y15 K16 L17	Q9-E13 HydrophobicContact CG-CB 3.96Å; Q9-E13 WeakPolarHBondContact CG-OE2 3.33Å; Q9-E13 PolarHBondContact NE2-OE2 3.29Å; K10-E13 PolarHBondContact O-N 3.24Å; E13-Y15 VanDerWaalsContact C-N 3.26Å; E13-Y15 PolarHBondContact O-N 3.25Å; E13-K16 PolarHBondContact O-N 3.38Å; E13-L17 WeakPolarHBondContact O-CG 3.27Å; E13-L17 PolarHBondContact O-N 3.48Å
14	H	46.3	Very low	47.5	Very low	119 Å²	119	115.1 Å²	115.1	55%	0.551	56%	0.561	S	S	*	*	H	α-helix	trans	-63.9	-29.9	177	-133.6	-84.2	0	0	0	112.9	R11 E12	R11-H14 WeakPolarHBondContact O-CB 3.44Å; R11-H14 PolarHBondContact O-N 3.22Å; E12-H14 VanDerWaalsContact C-N 3.34Å
15	Y	43	Very low	48.3	Very low	165 Å²	165	110.4 Å²	110.4	65%	0.647	54%	0.536	S	S	*	.	H	α-helix	trans	-75	-40.7	172.5	-77.9	-83.7	0	0	0	112	E13 L17 L18 Y19	E13-Y15 VanDerWaalsContact C-N 3.26Å; E13-Y15 PolarHBondContact O-N 3.25Å; Y15-L17 PolarHBondContact O-N 2.95Å; Y15-L18 PolarHBondContact O-N 3.02Å; Y15-L18 VanDerWaalsContact O-N 3.16Å; Y15-Y19 PolarHBondContact O-N 3.31Å; Y15-Y19 VanDerWaalsContact O-N 3.11Å
16	K	46.9	Very low	49.5	Very low	171 Å²	171	106.1 Å²	106.1	74%	0.743	53%	0.528	S	S	*	.	H	α-helix	trans	-62.1	-24.7	173.9	-71.7	-169.9	173.8	-172.6	0	113.7	E13	E13-K16 PolarHBondContact O-N 3.38Å
17	L	48.9	Very low	50.4	Low	101 Å²	101	108.2 Å²	108.2	53%	0.529	52%	0.517	S	S	.	.	H	α-helix	trans	-78	-24.9	176.5	-75.3	167.1	0	0	0	113.6	E13 Y15	E13-L17 WeakPolarHBondContact O-CG 3.27Å; E13-L17 PolarHBondContact O-N 3.48Å; Y15-L17 PolarHBondContact O-N 2.95Å
18	L	50.9	Low	51.4	Low	74 Å²	74	107.5 Å²	107.5	39%	0.387	51%	0.508	S	S	.	.	H	α-helix	trans	-95.4	-34.5	-177.8	-75.6	163.8	0	0	0	113.2	Y15 R53 R54	Y15-L18 PolarHBondContact O-N 3.02Å; Y15-L18 VanDerWaalsContact O-N 3.16Å; L18-R53 WeakPolarHBondContact O-CA 3.4Å; L18-R54 PolarHBondContact O-N 2.85Å
19	Y	47.7	Very low	52.2	Low	105 Å²	105	100.7 Å²	100.7	41%	0.412	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	135.9	-169.5	-64.9	-77	0	0	0	112.1	Y15 V51 L52 R53	Y15-Y19 PolarHBondContact O-N 3.31Å; Y15-Y19 VanDerWaalsContact O-N 3.11Å; Y19-V51 HydrophobicContact CD1-CG1 4.22Å; Y19-V51 HydrophobicContact CG-CG1 4.41Å; Y19-L52 WeakPolarHBondContact CA-O 3.5Å; Y19-R53 HydrophobicContact CD1-CB 3.92Å; Y19-R53 HydrophobicContact CD1-CG 4.08Å; Y19-R53 HydrophobicContact CE1-CB 3.69Å; Y19-R53 HydrophobicContact CE1-CG 3.6Å
20	E	58.7	Low	53	Low	71 Å²	71	98.5 Å²	98.5	33%	0.332	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	125.6	180	-179.2	164.3	-143	0	0	109.6	A22 V51 L52 R54	E20-A22 PolarHBondContact O-N 2.88Å; E20-V51 WeakPolarHBondContact O-CA 3.41Å; E20-V51 WeakPolarHBondContact O-CG1 3.35Å; E20-L52 PolarHBondContact N-O 2.92Å; E20-L52 PolarHBondContact O-N 3.37Å; E20-R54 IonicContact OE1-CZ 3.76Å; E20-R54 IonicContact OE1-NH2 3.16Å; E20-R54 PolarHBondContact OE1-NH2 3.19Å; E20-R54 IonicContact OE2-CZ 3.17Å; E20-R54 IonicContact OE2-NE 2.77Å; E20-R54 PolarHBondContact OE2-NE 3.43Å; E20-R54 IonicContact OE2-NH2 2.72Å; E20-R54 PolarHBondContact OE2-NH2 3.4Å
21	I	58.2	Low	53.3	Low	96 Å²	96	101.7 Å²	101.7	49%	0.492	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	112.1	176.2	-59.9	173.1	0	0	0	107.3	V24 V49 V51	I21-V24 HydrophobicContact CG2-CG2 3.95Å; I21-V49 HydrophobicContact CG2-CG1 3.85Å; I21-V51 HydrophobicContact CG1-CG2 4.44Å
22	A	59.5	Low	53.7	Low	19 Å²	19	94.6 Å²	94.6	16%	0.157	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	-54.9	178.4	0	0	0	0	0	109.8	E20 D28 F29 Q50 L52	E20-A22 PolarHBondContact O-N 2.88Å; A22-D28 WeakPolarHBondContact O-CA 3.45Å; A22-F29 PolarHBondContact O-N 2.71Å; A22-Q50 PolarHBondContact N-O 2.96Å; A22-L52 HydrophobicContact CB-CD1 3.99Å; A22-L52 HydrophobicContact CB-CG 4.2Å
23	Q	59.2	Low	54	Low	50 Å²	50	97.3 Å²	97.3	23%	0.234	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	148.6	-175.9	-61.3	-164.2	-7.3	0	0	113.7	R27 D28 V49 Q50	Q23-R27 WeakPolarHBondContact CA-O 3.45Å; Q23-R27 WeakPolarHBondContact CB-O 3.39Å; Q23-D28 WeakPolarHBondContact CG-OD1 3.35Å; Q23-D28 VanDerWaalsContact NE2-CG 3.32Å; Q23-D28 PolarHBondContact NE2-OD1 3.34Å; Q23-D28 PolarHBondContact NE2-OD2 2.97Å; Q23-V49 WeakPolarHBondContact O-CA 3.37Å; Q23-Q50 HydrophobicContact CB-CB 4.45Å; Q23-Q50 PolarHBondContact N-O 2.92Å; Q23-Q50 PolarHBondContact O-N 3.35Å
24	V	62.1	Low	54.3	Low	21 Å²	21	101 Å²	101	13%	0.127	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	130.8	164	-177.1	0	0	0	0	107.3	I21 G26 R27 F29 I47 V48 V49	I21-V24 HydrophobicContact CG2-CG2 3.95Å; V24-G26 PolarHBondContact O-N 3.15Å; V24-G26 VanDerWaalsContact O-N 3.11Å; V24-R27 PolarHBondContact N-O 3.06Å; V24-R27 PolarHBondContact O-N 3.41Å; V24-R27 VanDerWaalsContact O-N 3.09Å; V24-F29 HydrophobicContact CB-CD2 4.05Å; V24-F29 HydrophobicContact CB-CE2 3.74Å; V24-F29 HydrophobicContact CG2-CD2 4.19Å; V24-F29 HydrophobicContact CG2-CE2 4.33Å; V24-I47 HydrophobicContact CG1-CG2 3.74Å; V24-V48 CarbonylContact C-O 3.6Å; V24-V48 WeakPolarHBondContact CA-O 3.4Å; V24-V49 HydrophobicContact CG1-CG2 4.29Å; V24-V49 HydrophobicContact CG2-CG1 4.24Å; V24-V49 HydrophobicContact CG2-CG2 4.25Å
25	N	59.2	Low	54.7	Low	56 Å²	56	101.7 Å²	101.7	30%	0.299	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.4	40.5	179.6	-69.1	-17.2	0	0	0	113.7	A41 I47 V48	N25-A41 PolarHBondContact ND2-O 2.93Å; N25-I47 WeakPolarHBondContact OD1-CA 3.28Å; N25-V48 PolarHBondContact N-O 3.25Å; N25-V48 PolarHBondContact OD1-N 3.1Å
26	G	60.9	Low	55.2	Low	60 Å²	60	101.7 Å²	101.7	62%	0.619	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	20.1	176.9	0	0	0	0	0	115.9	V24	V24-G26 PolarHBondContact O-N 3.15Å; V24-G26 VanDerWaalsContact O-N 3.11Å
27	R	60.2	Low	55.6	Low	178 Å²	178	96 Å²	96	67%	0.672	49%	0.489	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.7	136	177.5	-58.8	-176.9	-177.7	-160	-1.2	111	Q23 V24 F29	Q23-R27 WeakPolarHBondContact CA-O 3.45Å; Q23-R27 WeakPolarHBondContact CB-O 3.39Å; V24-R27 PolarHBondContact N-O 3.06Å; V24-R27 PolarHBondContact O-N 3.41Å; V24-R27 VanDerWaalsContact O-N 3.09Å; R27-F29 HydrophobicContact CB-CE2 3.85Å; R27-F29 HydrophobicContact CB-CZ 4.33Å; R27-F29 WeakPolarHBondContact O-CD2 3.26Å; R27-F29 WeakPolarHBondContact O-CE2 3.41Å
28	D	58.5	Low	55.9	Low	107 Å²	107	93.7 Å²	93.7	57%	0.572	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	127.2	175.6	-69.5	-53.3	0	0	0	111.9	A22 Q23	A22-D28 WeakPolarHBondContact O-CA 3.45Å; Q23-D28 WeakPolarHBondContact CG-OD1 3.35Å; Q23-D28 VanDerWaalsContact NE2-CG 3.32Å; Q23-D28 PolarHBondContact NE2-OD1 3.34Å; Q23-D28 PolarHBondContact NE2-OD2 2.97Å
29	F	59.1	Low	56.3	Low	40 Å²	40	93.3 Å²	93.3	18%	0.175	48%	0.48	C	S	.	.			trans	-109.5	2.2	178.7	-74.9	-85.6	0	0	0	114.3	A22 V24 R27 K31 V32 V38 A41	A22-F29 PolarHBondContact O-N 2.71Å; V24-F29 HydrophobicContact CB-CD2 4.05Å; V24-F29 HydrophobicContact CB-CE2 3.74Å; V24-F29 HydrophobicContact CG2-CD2 4.19Å; V24-F29 HydrophobicContact CG2-CE2 4.33Å; R27-F29 HydrophobicContact CB-CE2 3.85Å; R27-F29 HydrophobicContact CB-CZ 4.33Å; R27-F29 WeakPolarHBondContact O-CD2 3.26Å; R27-F29 WeakPolarHBondContact O-CE2 3.41Å; F29-K31 PolarHBondContact O-N 2.89Å; F29-V32 HydrophobicContact CD1-CG2 4.42Å; F29-V32 PolarHBondContact O-N 3.48Å; F29-V38 HydrophobicContact CD1-CG2 3.93Å; F29-V38 HydrophobicContact CE1-CG2 3.97Å; F29-A41 HydrophobicContact CZ-CB 3.88Å
30	S	56.3	Low	56.7	Low	76 Å²	76	93.1 Å²	93.1	53%	0.531	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-1.5	-171.6	59	0	0	0	0	116.9
31	K	51.6	Low	56.5	Low	194 Å²	194	90.6 Å²	90.6	84%	0.843	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.7	18.1	-176.9	-61.9	-174	-179.1	175.9	0	115	F29	F29-K31 PolarHBondContact O-N 2.89Å
32	V	51	Low	56.4	Low	75 Å²	75	90.5 Å²	90.5	46%	0.455	47%	0.474	S	S	.	.			trans	-101.1	110.1	-171.5	-173.2	0	0	0	0	111.7	F29 H34 S37	F29-V32 HydrophobicContact CD1-CG2 4.42Å; F29-V32 PolarHBondContact O-N 3.48Å; V32-H34 PolarHBondContact O-N 3.28Å; V32-S37 WeakPolarHBondContact CG1-OG 3.16Å
33	E	51	Low	56.2	Low	193 Å²	193	97.8 Å²	97.8	90%	0.902	50%	0.497	S	S	*	.			trans	-87	11.7	-179.5	-74.6	-154.8	131.9	0	0	115.2
34	H	50.8	Low	56	Low	149 Å²	149	104 Å²	104	69%	0.69	52%	0.519	S	S	*	.			trans	-129	117.4	-177.9	-89.4	32.4	0	0	0	114	V32 E36 S37	V32-H34 PolarHBondContact O-N 3.28Å; H34-E36 PolarHBondContact O-N 3.07Å; H34-S37 PolarHBondContact O-N 3.25Å; H34-S37 PolarHBondContact O-OG 2.98Å
35	D	55.8	Low	55.4	Low	134 Å²	134	110.1 Å²	110.1	72%	0.717	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.9	-36.7	-173.2	-107.5	-31.7	0	0	0	114.5	S37 V38 V39	D35-S37 PolarHBondContact O-N 2.99Å; D35-S37 VanDerWaalsContact O-N 3.11Å; D35-V38 WeakPolarHBondContact O-CB 3.4Å; D35-V38 PolarHBondContact O-N 3.49Å; D35-V39 PolarHBondContact O-N 2.9Å; D35-V39 VanDerWaalsContact O-N 3.17Å
36	E	53.3	Low	55.1	Low	165 Å²	165	112.7 Å²	112.7	77%	0.771	57%	0.571	S	S	*	*	H	α-helix	trans	-59.4	-30.9	-173.7	-61.4	-161.6	136.2	0	0	113	H34 V38 V39 E40	H34-E36 PolarHBondContact O-N 3.07Å; E36-V38 VanDerWaalsContact C-N 3.32Å; E36-V38 PolarHBondContact O-N 2.81Å; E36-V39 PolarHBondContact O-N 2.8Å; E36-E40 PolarHBondContact O-N 2.86Å; E36-E40 VanDerWaalsContact O-N 3.1Å
37	S	54.3	Low	55	Low	51 Å²	51	113 Å²	113	36%	0.357	56%	0.557	S	S	.	*	H	α-helix	trans	-67.4	-30.3	177.3	68	0	0	0	0	113.6	V32 H34 D35 A41	V32-S37 WeakPolarHBondContact CG1-OG 3.16Å; H34-S37 PolarHBondContact O-N 3.25Å; H34-S37 PolarHBondContact O-OG 2.98Å; D35-S37 PolarHBondContact O-N 2.99Å; D35-S37 VanDerWaalsContact O-N 3.11Å; S37-A41 PolarHBondContact O-N 2.93Å
38	V	56	Low	54.9	Low	53 Å²	53	109.2 Å²	109.2	32%	0.321	55%	0.554	S	S	.	*	H	α-helix	trans	-79.2	-40.5	177.5	179.7	0	0	0	0	109.8	F29 D35 E36 E40 A41 I42	F29-V38 HydrophobicContact CD1-CG2 3.93Å; F29-V38 HydrophobicContact CE1-CG2 3.97Å; D35-V38 WeakPolarHBondContact O-CB 3.4Å; D35-V38 PolarHBondContact O-N 3.49Å; E36-V38 VanDerWaalsContact C-N 3.32Å; E36-V38 PolarHBondContact O-N 2.81Å; V38-E40 PolarHBondContact O-N 3.33Å; V38-A41 PolarHBondContact O-N 3.01Å; V38-I42 HydrophobicContact CG1-CD1 3.77Å; V38-I42 WeakPolarHBondContact O-CG1 3.47Å; V38-I42 PolarHBondContact O-N 3.21Å; V38-I42 VanDerWaalsContact O-N 3.08Å
39	V	58.2	Low	55.1	Low	66 Å²	66	107.6 Å²	107.6	40%	0.4	55%	0.547	S	S	.	.	H	α-helix	trans	-61.5	-42	176.9	177	0	0	0	0	111.7	D35 E36 I42 R43	D35-V39 PolarHBondContact O-N 2.9Å; D35-V39 VanDerWaalsContact O-N 3.17Å; E36-V39 PolarHBondContact O-N 2.8Å; V39-I42 PolarHBondContact O-N 2.54Å; V39-R43 WeakPolarHBondContact O-CG 3.3Å; V39-R43 PolarHBondContact O-N 3.26Å
40	E	57.1	Low	54.9	Low	101 Å²	101	111.8 Å²	111.8	47%	0.472	57%	0.567	S	S	.	*	H	α-helix	trans	-67.2	-34	174.1	-86.9	-66.6	113.9	0	0	113.4	E36 V38 I42 R43	E36-E40 PolarHBondContact O-N 2.86Å; E36-E40 VanDerWaalsContact O-N 3.1Å; V38-E40 PolarHBondContact O-N 3.33Å; E40-I42 VanDerWaalsContact C-N 3.31Å; E40-I42 PolarHBondContact O-N 2.81Å; E40-R43 PolarHBondContact O-N 3.43Å; E40-R43 WeakPolarHBondContact OE1-CD 3.38Å; E40-R43 IonicContact OE1-CZ 2.67Å; E40-R43 IonicContact OE1-NE 3.64Å; E40-R43 IonicContact OE1-NH1 2.82Å; E40-R43 PolarHBondContact OE1-NH1 2.89Å
41	A	54.5	Low	55.1	Low	19 Å²	19	111.5 Å²	111.5	16%	0.157	56%	0.563	C	S	.	*	H	α-helix	trans	-69.5	-28.4	177.1	0	0	0	0	0	113.2	N25 F29 S37 V38	N25-A41 PolarHBondContact ND2-O 2.93Å; F29-A41 HydrophobicContact CZ-CB 3.88Å; S37-A41 PolarHBondContact O-N 2.93Å; V38-A41 PolarHBondContact O-N 3.01Å
42	I	56.3	Low	55.1	Low	94 Å²	94	107.6 Å²	107.6	48%	0.482	55%	0.55	S	S	.	*	H	α-helix	trans	-83.3	-14.8	178.7	-69.1	170.2	0	0	0	112.3	V38 V39 E40 R44 I47	V38-I42 HydrophobicContact CG1-CD1 3.77Å; V38-I42 WeakPolarHBondContact O-CG1 3.47Å; V38-I42 PolarHBondContact O-N 3.21Å; V38-I42 VanDerWaalsContact O-N 3.08Å; V39-I42 PolarHBondContact O-N 2.54Å; E40-I42 VanDerWaalsContact C-N 3.31Å; E40-I42 PolarHBondContact O-N 2.81Å; I42-R44 PolarHBondContact O-N 3.45Å; I42-I47 HydrophobicContact CB-CD1 4.34Å; I42-I47 HydrophobicContact CG2-CD1 3.98Å; I42-I47 WeakPolarHBondContact O-CD1 3.22Å
43	R	54.8	Low	54.8	Low	172 Å²	172	112.2 Å²	112.2	65%	0.649	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	11.7	178.5	-77.1	168.7	-179.1	177.6	1.7	115	V39 E40	V39-R43 WeakPolarHBondContact O-CG 3.3Å; V39-R43 PolarHBondContact O-N 3.26Å; E40-R43 PolarHBondContact O-N 3.43Å; E40-R43 WeakPolarHBondContact OE1-CD 3.38Å; E40-R43 IonicContact OE1-CZ 2.67Å; E40-R43 IonicContact OE1-NE 3.64Å; E40-R43 IonicContact OE1-NH1 2.82Å; E40-R43 PolarHBondContact OE1-NH1 2.89Å
44	R	55.2	Low	54.8	Low	180 Å²	180	109.7 Å²	109.7	68%	0.679	54%	0.542	S	S	*	.	S	Bend	trans	-134.8	111.6	-178.6	-64.3	-172.2	-176.1	-164.4	-0.7	111.4	I42 I47	I42-R44 PolarHBondContact O-N 3.45Å; R44-I47 WeakPolarHBondContact O-CG1 3.34Å
45	D	50.3	Low	54.2	Low	149 Å²	149	108.3 Å²	108.3	80%	0.797	54%	0.544	S	S	*	.	S	Bend	trans	-81.7	150.1	168.8	-80.5	-50.8	0	0	0	112.2
46	P	51.2	Low	53.3	Low	111 Å²	111	107.9 Å²	107.9	72%	0.721	55%	0.548	S	S	*	.	S	Bend	cis	-79.6	139.5	-7.8	32.3	-33.8	0	0	0	112
47	I	59.8	Low	52.5	Low	66 Å²	66	105 Å²	105	34%	0.338	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-84.8	123.3	176.6	-52.3	172.4	0	0	0	110.6	V24 N25 I42 R44 V49	V24-I47 HydrophobicContact CG1-CG2 3.74Å; N25-I47 WeakPolarHBondContact OD1-CA 3.28Å; I42-I47 HydrophobicContact CB-CD1 4.34Å; I42-I47 HydrophobicContact CG2-CD1 3.98Å; I42-I47 WeakPolarHBondContact O-CD1 3.22Å; R44-I47 WeakPolarHBondContact O-CG1 3.34Å; I47-V49 HydrophobicContact CG2-CG2 4.04Å
48	V	57.3	Low	51.4	Low	99 Å²	99	114.1 Å²	114.1	60%	0.6	58%	0.579	S	S	*	*			trans	-111.8	127.5	174.6	-176.9	0	0	0	0	109.9	V24 N25	V24-V48 CarbonylContact C-O 3.6Å; V24-V48 WeakPolarHBondContact CA-O 3.4Å; N25-V48 PolarHBondContact N-O 3.25Å; N25-V48 PolarHBondContact OD1-N 3.1Å
49	V	63.6	Low	50.3	Low	72 Å²	72	116 Å²	116	44%	0.436	60%	0.601	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.6	131.1	-176.6	-174.3	0	0	0	0	110.5	I21 Q23 V24 I47 V51	I21-V49 HydrophobicContact CG2-CG1 3.85Å; Q23-V49 WeakPolarHBondContact O-CA 3.37Å; V24-V49 HydrophobicContact CG1-CG2 4.29Å; V24-V49 HydrophobicContact CG2-CG1 4.24Å; V24-V49 HydrophobicContact CG2-CG2 4.25Å; I47-V49 HydrophobicContact CG2-CG2 4.04Å; V49-V51 HydrophobicContact CG1-CG2 3.92Å
50	Q	54.7	Low	49	Very low	128 Å²	128	119.4 Å²	119.4	60%	0.598	62%	0.621	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-114.7	128.3	176.5	-164.3	173.6	16.9	0	0	110.6	A22 Q23	A22-Q50 PolarHBondContact N-O 2.96Å; Q23-Q50 HydrophobicContact CB-CB 4.45Å; Q23-Q50 PolarHBondContact N-O 2.92Å; Q23-Q50 PolarHBondContact O-N 3.35Å
51	V	60.3	Low	47.7	Very low	71 Å²	71	121.5 Å²	121.5	43%	0.43	64%	0.641	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.3	132.9	-168.2	-170.6	0	0	0	0	110.2	Y19 E20 I21 V49	Y19-V51 HydrophobicContact CD1-CG1 4.22Å; Y19-V51 HydrophobicContact CG-CG1 4.41Å; E20-V51 WeakPolarHBondContact O-CA 3.41Å; E20-V51 WeakPolarHBondContact O-CG1 3.35Å; I21-V51 HydrophobicContact CG1-CG2 4.44Å; V49-V51 HydrophobicContact CG1-CG2 3.92Å
52	L	52.5	Low	46.7	Very low	111 Å²	111	126.1 Å²	126.1	58%	0.581	67%	0.667	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-101.8	137.3	177.1	-74.6	169.4	0	0	0	110.8	Y19 E20 A22	Y19-L52 WeakPolarHBondContact CA-O 3.5Å; E20-L52 PolarHBondContact N-O 2.92Å; E20-L52 PolarHBondContact O-N 3.37Å; A22-L52 HydrophobicContact CB-CD1 3.99Å; A22-L52 HydrophobicContact CB-CG 4.2Å
53	R	43.9	Very low	45.3	Very low	172 Å²	172	130.7 Å²	130.7	65%	0.649	69%	0.686	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-92.5	122.4	175	-171	176.6	178.7	-172.6	-1	109.5	L18 Y19 T55	L18-R53 WeakPolarHBondContact O-CA 3.4Å; Y19-R53 HydrophobicContact CD1-CB 3.92Å; Y19-R53 HydrophobicContact CD1-CG 4.08Å; Y19-R53 HydrophobicContact CE1-CB 3.69Å; Y19-R53 HydrophobicContact CE1-CG 3.6Å; R53-T55 PolarHBondContact O-N 3.04Å
54	R	50.1	Low	44.1	Very low	140 Å²	140	133 Å²	133	53%	0.528	70%	0.695	S	S	.	*	P	Polyproline II helix	trans	-78.1	122	179.9	-71.6	179.2	167.8	-165.7	-2.9	110.4	L18 E20	L18-R54 PolarHBondContact O-N 2.85Å; E20-R54 IonicContact OE1-CZ 3.76Å; E20-R54 IonicContact OE1-NH2 3.16Å; E20-R54 PolarHBondContact OE1-NH2 3.19Å; E20-R54 IonicContact OE2-CZ 3.17Å; E20-R54 IonicContact OE2-NE 2.77Å; E20-R54 PolarHBondContact OE2-NE 3.43Å; E20-R54 IonicContact OE2-NH2 2.72Å; E20-R54 PolarHBondContact OE2-NH2 3.4Å
55	T	38.5	Very low	42.9	Very low	121 Å²	121	129.2 Å²	129.2	74%	0.742	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-100.3	142	174.8	49.3	0	0	0	0	111.2	R53 A57	R53-T55 PolarHBondContact O-N 3.04Å; T55-A57 PolarHBondContact O-N 3.38Å
56	P	37.6	Very low	41.7	Very low	124 Å²	124	128.6 Å²	128.6	81%	0.805	70%	0.702	S	S	*	*			trans	-76.5	114.9	179.5	29.6	-33.1	0	0	0	110.9	R58	P56-R58 PolarHBondContact O-N 3.13Å; P56-R58 VanDerWaalsContact O-N 3.17Å
57	A	35.9	Very low	40.5	Very low	104 Å²	104	127.2 Å²	127.2	86%	0.86	71%	0.708	S	S	*	*			trans	-66.9	111.5	175.3	0	0	0	0	0	110.8	T55	T55-A57 PolarHBondContact O-N 3.38Å
58	R	32.3	Very low	39.5	Very low	244 Å²	244	129.4 Å²	129.4	92%	0.921	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-77.4	127.2	175.7	-170.8	172.8	-179.6	171.6	-0.5	110	P56	P56-R58 PolarHBondContact O-N 3.13Å; P56-R58 VanDerWaalsContact O-N 3.17Å
59	A	31.6	Very low	38.2	Very low	93 Å²	93	129.4 Å²	129.4	77%	0.769	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-62.5	146.9	-176	0	0	0	0	0	113.3
60	T	31	Very low	37	Very low	136 Å²	136	135.4 Å²	135.4	83%	0.834	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-69.6	130.5	179.9	48.6	0	0	0	0	113
61	V	31.1	Very low	35.8	Very low	145 Å²	145	137 Å²	137	88%	0.879	78%	0.782	S	S	*	*			trans	-130.6	142.6	155.8	179.9	0	0	0	0	107.9
62	V	32.6	Very low	34.8	Very low	117 Å²	117	139.5 Å²	139.5	71%	0.709	80%	0.797	S	S	*	*			trans	-99.8	133.4	-168.5	175.3	0	0	0	0	111.5
63	Q	27.6	Very low	33.7	Very low	189 Å²	189	140.4 Å²	140.4	88%	0.883	81%	0.812	S	S	*	*			trans	-144.7	154.9	151.5	-157.9	78.1	-3.2	0	0	107.8
64	R	29.5	Very low	33.4	Very low	220 Å²	220	137.5 Å²	137.5	83%	0.83	81%	0.813	S	S	*	*			trans	-114.8	162.5	-172.1	-81.1	178.1	167.2	162.8	-5.1	113.3
65	S	28.7	Very low	32.8	Very low	102 Å²	102	136.9 Å²	136.9	71%	0.713	82%	0.824	S	S	*	*			trans	71.8	116.8	145.8	54.4	0	0	0	0	121.6
66	C	25.1	Very low	32.4	Very low	136 Å²	136	137.6 Å²	137.6	92%	0.919	82%	0.824	S	S	*	*			trans	77.3	145.9	133.9	-60.4	0	0	0	0	120.8
67	G	26.8	Very low	32.7	Very low	82 Å²	82	138.2 Å²	138.2	85%	0.845	83%	0.825	S	S	*	*			trans	114.4	114.1	164.3	0	0	0	0	0	113.5
68	A	38.3	Very low	33	Very low	111 Å²	111	137.9 Å²	137.9	92%	0.917	82%	0.815	S	S	*	*			trans	-96.9	124.5	165.9	0	0	0	0	0	109.2
69	A	30.1	Very low	34.1	Very low	100 Å²	100	133.4 Å²	133.4	83%	0.826	82%	0.815	S	S	*	*			trans	-148.8	145.6	164.6	0	0	0	0	0	108.1
70	Q	39.5	Very low	34.3	Very low	197 Å²	197	136.3 Å²	136.3	92%	0.921	81%	0.813	S	S	*	*			trans	-75.7	139.5	162.4	-69.2	170.8	-32.1	0	0	107.9
71	D	28.8	Very low	34.8	Very low	161 Å²	161	136 Å²	136	86%	0.861	81%	0.81	S	S	*	*			trans	-143	142.6	157.9	-148.5	-14.7	0	0	0	109.6
72	V	39	Very low	35.3	Very low	124 Å²	124	135.1 Å²	135.1	75%	0.752	80%	0.801	S	S	*	*			trans	-106.3	107.7	-173.2	175.7	0	0	0	0	108.5	V74	V72-V74 HydrophobicContact CG1-CG2 4.32Å
73	C	30.2	Very low	36.3	Very low	130 Å²	130	134.6 Å²	134.6	88%	0.878	79%	0.793	S	S	*	*			trans	-102.7	140	172.1	-147.9	0	0	0	0	110.3
74	V	37.7	Very low	38.1	Very low	112 Å²	112	129.7 Å²	129.7	68%	0.679	78%	0.776	S	S	*	*			trans	-121.3	149.5	-172.3	-167.6	0	0	0	0	108.6	V72	V72-V74 HydrophobicContact CG1-CG2 4.32Å
75	V	36.9	Very low	38.7	Very low	127 Å²	127	126.7 Å²	126.7	77%	0.77	77%	0.769	S	S	*	*			trans	74.9	138.2	-177.6	-164.6	0	0	0	0	110.8
76	D	30.8	Very low	40.2	Very low	136 Å²	136	129.2 Å²	129.2	73%	0.727	77%	0.77	S	S	*	*			cis	-130.5	158.8	25.1	-156.5	1	0	0	0	115.1
77	V	43.7	Very low	41.6	Very low	136 Å²	136	127.8 Å²	127.8	82%	0.824	75%	0.75	S	S	*	*			trans	-105.7	86.1	-175.7	-176.1	0	0	0	0	110.5
78	C	41.3	Very low	43.5	Very low	98 Å²	98	128.1 Å²	128.1	66%	0.662	73%	0.731	S	S	*	*			trans	-139.4	94.1	172.5	-86.8	0	0	0	0	112.3	Q80	C78-Q80 PolarHBondContact O-N 3.14Å
79	T	56	Low	44.6	Very low	149 Å²	149	126.8 Å²	126.8	91%	0.914	71%	0.707	S	S	*	*			trans	41	74.7	156.4	59.4	0	0	0	0	117.3
80	Q	34.8	Very low	45.7	Very low	155 Å²	155	124.5 Å²	124.5	72%	0.724	69%	0.688	S	S	*	*			trans	-134.1	115.3	168.8	-171.5	172.2	-0.2	0	0	110.7	C78 D82	C78-Q80 PolarHBondContact O-N 3.14Å; Q80-D82 HydrophobicContact CG-CB 4.49Å; Q80-D82 WeakPolarHBondContact CG-OD2 3.31Å; Q80-D82 PolarHBondContact NE2-OD2 2.83Å
81	T	43	Very low	46.4	Very low	128 Å²	128	119.8 Å²	119.8	79%	0.785	67%	0.668	S	S	*	*			trans	-111.5	50.6	-178.4	49.9	0	0	0	0	112.2	I83	T81-I83 PolarHBondContact O-N 3.34Å
82	D	41.2	Very low	47.4	Very low	127 Å²	127	116.3 Å²	116.3	68%	0.679	66%	0.662	S	S	*	*			trans	-80	70.3	173.9	-74.6	-41.5	0	0	0	111.3	Q80 T84	Q80-D82 HydrophobicContact CG-CB 4.49Å; Q80-D82 WeakPolarHBondContact CG-OD2 3.31Å; Q80-D82 PolarHBondContact NE2-OD2 2.83Å; D82-T84 PolarHBondContact O-N 3.33Å
83	I	53.6	Low	47.7	Very low	107 Å²	107	118 Å²	118	55%	0.549	66%	0.659	S	S	.	*			trans	-82.2	112	175	-45.5	178.6	0	0	0	108.6	T81 H87 I88	T81-I83 PolarHBondContact O-N 3.34Å; I83-H87 HydrophobicContact CG2-CB 4.35Å; I83-I88 HydrophobicContact CG2-CD1 4.17Å; I83-I88 HydrophobicContact CG2-CG1 3.71Å
84	T	64.5	Low	48.2	Very low	85 Å²	85	118 Å²	118	52%	0.521	65%	0.65	S	S	.	*			trans	-72.9	149.3	-179.1	63.9	0	0	0	0	111.8	D82 E86 H87 I88	D82-T84 PolarHBondContact O-N 3.33Å; T84-E86 PolarHBondContact O-N 2.98Å; T84-H87 WeakPolarHBondContact O-CB 3.49Å; T84-H87 PolarHBondContact O-N 3.11Å; T84-H87 PolarHBondContact OG1-N 3.03Å; T84-I88 PolarHBondContact O-N 3.45Å; T84-I88 VanDerWaalsContact O-N 3.13Å
85	F	43.7	Very low	48.5	Very low	157 Å²	157	123.9 Å²	123.9	69%	0.689	66%	0.66	S	S	*	*	H	α-helix	trans	-57.3	-33.8	178.7	-176.8	-107.1	0	0	0	112.9	I88 M89	F85-I88 PolarHBondContact O-N 2.88Å; F85-M89 HydrophobicContact CD1-CG 4.44Å; F85-M89 HydrophobicContact CD1-SD 4.08Å; F85-M89 HydrophobicContact CE1-CG 4.05Å; F85-M89 HydrophobicContact CE1-SD 3.4Å; F85-M89 WeakPolarHBondContact CE1-SD 3.42Å; F85-M89 HydrophobicContact CZ-CG 4.17Å; F85-M89 HydrophobicContact CZ-SD 3.84Å; F85-M89 PolarHBondContact O-N 2.7Å
86	E	59.9	Low	48.5	Very low	156 Å²	156	123.3 Å²	123.3	73%	0.729	66%	0.659	S	S	*	*	H	α-helix	trans	-65.2	-37.9	174.4	-172.5	168.4	-145.6	0	0	112.5	T84 M89 A90	T84-E86 PolarHBondContact O-N 2.98Å; E86-M89 PolarHBondContact O-N 3.4Å; E86-A90 WeakPolarHBondContact O-CB 3.31Å; E86-A90 PolarHBondContact O-N 2.93Å
87	H	54.5	Low	48.7	Very low	106 Å²	106	121.8 Å²	121.8	49%	0.491	67%	0.665	S	S	.	*	H	α-helix	trans	-66.9	-40.3	174.7	-165.4	86.6	0	0	0	111.6	I83 T84 A90 L91	I83-H87 HydrophobicContact CG2-CB 4.35Å; T84-H87 WeakPolarHBondContact O-CB 3.49Å; T84-H87 PolarHBondContact O-N 3.11Å; T84-H87 PolarHBondContact OG1-N 3.03Å; H87-A90 WeakPolarHBondContact O-CB 3.4Å; H87-A90 PolarHBondContact O-N 3.1Å; H87-L91 WeakPolarHBondContact O-CG 3.42Å; H87-L91 PolarHBondContact O-N 2.85Å
88	I	66.4	Low	48.5	Very low	89 Å²	89	121.2 Å²	121.2	46%	0.456	66%	0.662	S	S	.	*	H	α-helix	trans	-64.6	-43.5	174.9	-59.4	172.7	0	0	0	110.6	I83 T84 F85 A90 L91 A92	I83-I88 HydrophobicContact CG2-CD1 4.17Å; I83-I88 HydrophobicContact CG2-CG1 3.71Å; T84-I88 PolarHBondContact O-N 3.45Å; T84-I88 VanDerWaalsContact O-N 3.13Å; F85-I88 PolarHBondContact O-N 2.88Å; I88-A90 VanDerWaalsContact C-N 3.3Å; I88-A90 PolarHBondContact O-N 3.43Å; I88-L91 PolarHBondContact O-N 2.95Å; I88-A92 WeakPolarHBondContact O-CB 3.35Å; I88-A92 PolarHBondContact O-N 2.75Å
89	M	60.3	Low	48.6	Very low	83 Å²	83	121.5 Å²	121.5	41%	0.409	66%	0.663	S	S	.	*	H	α-helix	trans	-67.2	-25.2	173.8	-81.4	-166.9	61.6	0	0	114.1	F85 E86 K93	F85-M89 HydrophobicContact CD1-CG 4.44Å; F85-M89 HydrophobicContact CD1-SD 4.08Å; F85-M89 HydrophobicContact CE1-CG 4.05Å; F85-M89 HydrophobicContact CE1-SD 3.4Å; F85-M89 WeakPolarHBondContact CE1-SD 3.42Å; F85-M89 HydrophobicContact CZ-CG 4.17Å; F85-M89 HydrophobicContact CZ-SD 3.84Å; F85-M89 PolarHBondContact O-N 2.7Å; E86-M89 PolarHBondContact O-N 3.4Å; M89-K93 WeakPolarHBondContact O-CD 3.42Å; M89-K93 WeakPolarHBondContact O-CG 3.27Å
90	A	54.1	Low	47.9	Very low	52 Å²	52	120.5 Å²	120.5	43%	0.43	66%	0.659	S	S	.	*	H	α-helix	trans	-73.6	-46	173.1	0	0	0	0	0	111.1	E86 H87 I88 A92 K93	E86-A90 WeakPolarHBondContact O-CB 3.31Å; E86-A90 PolarHBondContact O-N 2.93Å; H87-A90 WeakPolarHBondContact O-CB 3.4Å; H87-A90 PolarHBondContact O-N 3.1Å; I88-A90 VanDerWaalsContact C-N 3.3Å; I88-A90 PolarHBondContact O-N 3.43Å; A90-A92 VanDerWaalsContact C-N 3.33Å; A90-A92 PolarHBondContact O-N 3.49Å; A90-K93 PolarHBondContact O-N 2.91Å; A90-K93 VanDerWaalsContact O-N 3.07Å
91	L	54.3	Low	48.1	Very low	97 Å²	97	119.1 Å²	119.1	51%	0.508	66%	0.661	S	S	.	*	H	α-helix	trans	-60.1	-42.2	175.1	-69.2	167.9	0	0	0	111.6	H87 I88 K93 L94	H87-L91 WeakPolarHBondContact O-CG 3.42Å; H87-L91 PolarHBondContact O-N 2.85Å; I88-L91 PolarHBondContact O-N 2.95Å; L91-K93 PolarHBondContact O-N 3.12Å; L91-K93 VanDerWaalsContact O-N 3.08Å; L91-L94 HydrophobicContact CD2-CD1 4.4Å; L91-L94 PolarHBondContact O-N 3.03Å
92	A	50.2	Low	48.1	Very low	88 Å²	88	118.5 Å²	118.5	73%	0.727	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-8.3	175.8	0	0	0	0	0	114.9	I88 A90	I88-A92 WeakPolarHBondContact O-CB 3.35Å; I88-A92 PolarHBondContact O-N 2.75Å; A90-A92 VanDerWaalsContact C-N 3.33Å; A90-A92 PolarHBondContact O-N 3.49Å
93	K	43.8	Very low	47.9	Very low	159 Å²	159	120.1 Å²	120.1	69%	0.691	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	-5	174.5	-71.3	170.9	-176.7	176.2	0	113.4	M89 A90 L91 R95	M89-K93 WeakPolarHBondContact O-CD 3.42Å; M89-K93 WeakPolarHBondContact O-CG 3.27Å; A90-K93 PolarHBondContact O-N 2.91Å; A90-K93 VanDerWaalsContact O-N 3.07Å; L91-K93 PolarHBondContact O-N 3.12Å; L91-K93 VanDerWaalsContact O-N 3.08Å; K93-R95 PolarHBondContact O-N 3.04Å
94	L	42	Very low	47	Very low	132 Å²	132	122.4 Å²	122.4	69%	0.691	68%	0.679	S	S	*	*			trans	-84.9	109.1	174.1	-63.8	178.1	0	0	0	109.6	L91	L91-L94 HydrophobicContact CD2-CD1 4.4Å; L91-L94 PolarHBondContact O-N 3.03Å
95	R	43	Very low	45.3	Very low	234 Å²	234	123.9 Å²	123.9	88%	0.883	69%	0.692	S	S	*	*			trans	-68.9	140	172.8	-154.2	176.5	-163.9	167.8	4.1	109.1	K93 A97	K93-R95 PolarHBondContact O-N 3.04Å; R95-A97 PolarHBondContact O-N 3.08Å
96	P	36.7	Very low	45.4	Very low	116 Å²	116	121.4 Å²	121.4	75%	0.753	69%	0.691	S	S	*	*			trans	-55.6	131.5	173.3	-25.7	34.8	0	0	0	111.1	T98	P96-T98 PolarHBondContact O-N 2.78Å
97	A	36.1	Very low	44.1	Very low	103 Å²	103	123.2 Å²	123.2	85%	0.851	70%	0.697	S	S	*	*			trans	-83.8	96.6	177	0	0	0	0	0	109.8	R95	R95-A97 PolarHBondContact O-N 3.08Å
98	T	40.3	Very low	43.1	Very low	125 Å²	125	126 Å²	126	77%	0.767	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-61.8	133	170.7	-37.3	0	0	0	0	109.7	P96	P96-T98 PolarHBondContact O-N 2.78Å
99	P	43.3	Very low	41.7	Very low	104 Å²	104	130.2 Å²	130.2	68%	0.675	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-64.7	146.7	169.6	28.3	-34.4	0	0	0	110.4
100	P	39.6	Very low	40.2	Very low	127 Å²	127	131.8 Å²	131.8	83%	0.825	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-74.4	129.9	-176.2	29.5	-34.3	0	0	0	111.9
101	V	40.4	Very low	39.1	Very low	127 Å²	127	137.1 Å²	137.1	77%	0.77	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-85	134.1	162.9	-179.5	0	0	0	0	108.1
102	P	42	Very low	38.2	Very low	115 Å²	115	137.7 Å²	137.7	75%	0.747	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-81.4	120.1	176.2	30.6	-32.4	0	0	0	112	I104	P102-I104 PolarHBondContact O-N 2.93Å
103	D	38	Very low	37.1	Very low	160 Å²	160	139.3 Å²	139.3	86%	0.856	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-75.3	117.6	175.9	-82.2	-44.8	0	0	0	113
104	I	33.1	Very low	36.7	Very low	155 Å²	155	139.9 Å²	139.9	80%	0.795	80%	0.8	S	S	*	*			trans	-143.1	82.7	158.9	-58.6	-176.7	0	0	0	106.8	P102	P102-I104 PolarHBondContact O-N 2.93Å
105	C	30.6	Very low	36.1	Very low	117 Å²	117	138.2 Å²	138.2	79%	0.791	80%	0.799	S	S	*	*				110.7	162.9	92.3	-93.8	0	0	0	0	111.6
106	P	45.2	Very low	35.6	Very low	104 Å²	104	132 Å²	132	68%	0.675	78%	0.783	S	S	*	*			trans	-103.5	-173.4	-135.4	39.9	-39.8	0	0	0	116.7
107	F	32.7	Very low	35.2	Very low	195 Å²	195	132.4 Å²	132.4	86%	0.855	77%	0.774	S	S	*	*			trans	73.3	102.5	-167.9	-54.8	-83.2	0	0	0	111.8
108	L	33.3	Very low	35.2	Very low	164 Å²	164	131.9 Å²	131.9	86%	0.859	76%	0.76	S	S	*	*				-159.4	127.6	63.9	-80.8	162.3	0	0	0	111.4
109	L	36.2	Very low	34.9	Very low	177 Å²	177	132.9 Å²	132.9	93%	0.927	76%	0.76	S	S	*	*			trans	-113.1	114.6	157.5	-82.6	172.7	0	0	0	107.6
110	S	29.1	Very low	34.3	Very low	117 Å²	117	135.1 Å²	135.1	82%	0.818	76%	0.761	S	S	*	*			trans	-161.2	151.6	162.5	-86.8	0	0	0	0	109.2
111	D	31.6	Very low	33.9	Very low	164 Å²	164	136.9 Å²	136.9	88%	0.877	76%	0.758	S	S	*	*			trans	-74	165.7	-169.2	-63.2	-76.4	0	0	0	115.8
112	S	34.5	Very low	33.5	Very low	109 Å²	109	138 Å²	138	76%	0.762	76%	0.76	S	S	*	*			trans	73.7	123.8	163.7	-166.6	0	0	0	0	117.3
113	C	27.7	Very low	32.9	Very low	121 Å²	121	142.1 Å²	142.1	82%	0.818	77%	0.767	S	S	*	*				-176.6	119.2	128.5	-101.7	0	0	0	0	111.5
114	Q	34.3	Very low	32.6	Very low	172 Å²	172	144.8 Å²	144.8	80%	0.804	77%	0.766	S	S	*	*			trans	-69.5	168.6	150.4	-99.6	75.1	8.3	0	0	110
115	S	30.1	Very low	32.5	Very low	96 Å²	96	145.2 Å²	145.2	67%	0.671	77%	0.765	S	S	*	*			trans	90.5	103.3	155.7	-167.2	0	0	0	0	119.9
116	I	32.1	Very low	32.2	Very low	105 Å²	105	145 Å²	145	54%	0.538	76%	0.763	S	S	.	*				53.3	114.8	129.6	-50.9	167.9	0	0	0	118.6
117	H	28.3	Very low	32.4	Very low	123 Å²	123	145.2 Å²	145.2	57%	0.569	77%	0.765	S	S	*	*				-163.3	149.1	109.3	-119.7	-70.1	0	0	0	116.4	R397	H117-R397 PolarHBondContact CE1-NH1 3.44Å; H117-R397 PolarHBondContact CE1-NH2 3.16Å; H117-R397 PolarHBondContact NE2-NH2 3.09Å
118	T	37.4	Very low	32.4	Very low	92 Å²	92	144.5 Å²	144.5	56%	0.564	76%	0.764	S	S	*	*			trans	-111.8	150.2	168.3	48	0	0	0	0	111.2
119	L	33.3	Very low	32.7	Very low	147 Å²	147	146.5 Å²	146.5	77%	0.77	76%	0.762	S	S	*	*			trans	152	148.8	158.9	-109.6	65.4	0	0	0	107.7
120	E	31.3	Very low	32.4	Very low	150 Å²	150	145.9 Å²	145.9	70%	0.701	76%	0.756	S	S	*	*			cis	-143.9	161.1	3	-53.9	176.9	134.2	0	0	109.2
121	H	30.9	Very low	32.6	Very low	164 Å²	164	145.6 Å²	145.6	76%	0.759	75%	0.754	S	S	*	*				166.8	110.9	106.1	-117.7	67.3	0	0	0	110.8
122	D	30.6	Very low	32.5	Very low	150 Å²	150	145.3 Å²	145.3	80%	0.802	75%	0.753	S	S	*	*			trans	-78.7	150	162.8	-62.4	-66.2	0	0	0	110.2
123	F	29.8	Very low	32.4	Very low	202 Å²	202	146.5 Å²	146.5	89%	0.886	76%	0.755	S	S	*	*				-174.8	146	126.3	-111.1	-72.3	0	0	0	113
124	Y	31.5	Very low	33	Very low	217 Å²	217	147.1 Å²	147.1	85%	0.851	76%	0.758	S	S	*	*			trans	86.9	108.8	165.1	-126.7	-76.7	0	0	0	119
125	E	31.9	Very low	32.8	Very low	163 Å²	163	141.5 Å²	141.5	76%	0.762	75%	0.746	S	S	*	*			trans	-104.5	143.9	175.7	176.8	-179.4	-157.9	0	0	110.8
126	C	24.2	Very low	33.3	Very low	112 Å²	112	146.7 Å²	146.7	76%	0.757	76%	0.76	S	S	*	*			trans	-161.1	97.7	166	-167.6	0	0	0	0	111.2	E128	C126-E128 PolarHBondContact O-N 2.86Å
127	P	49.3	Very low	33.5	Very low	110 Å²	110	147.8 Å²	147.8	71%	0.714	77%	0.771	S	S	*	*			trans	-99.6	50.3	-162.5	38.8	-35.9	0	0	0	114.3
128	E	33.8	Very low	34	Very low	179 Å²	179	150.1 Å²	150.1	84%	0.836	78%	0.782	S	S	*	*			trans	-141.2	16.1	-168	-124.2	162.8	-147.9	0	0	118.2	C126	C126-E128 PolarHBondContact O-N 2.86Å
129	Y	37.8	Very low	33.8	Very low	206 Å²	206	156 Å²	156	81%	0.808	79%	0.794	S	S	*	*			trans	-153.4	83.6	169.5	-166.9	-103.7	0	0	0	115.3
130	M	30.1	Very low	34.1	Very low	165 Å²	165	155 Å²	155	81%	0.813	80%	0.795	S	S	*	*			trans	-155.5	103	151.4	-97.3	-52.6	102.2	0	0	110.9
131	S	33.6	Very low	34.9	Very low	111 Å²	111	153.1 Å²	153.1	78%	0.776	79%	0.786	S	S	*	*			trans	-109.3	110.3	176.6	-69.4	0	0	0	0	111.2
132	N	30.4	Very low	35.8	Very low	158 Å²	158	154.3 Å²	154.3	85%	0.845	79%	0.791	S	S	*	*			trans	44.3	101.7	153.8	-57.7	-14.9	0	0	0	118.6
133	T	31.1	Very low	37.5	Very low	133 Å²	133	151.6 Å²	151.6	82%	0.816	77%	0.771	S	S	*	*			trans	-122.2	137.7	135.5	52.5	0	0	0	0	109.1	G135	T133-G135 VanDerWaalsContact C-N 3.26Å; T133-G135 PolarHBondContact O-N 2.92Å
134	P	41.7	Very low	39.8	Very low	135 Å²	135	147 Å²	147	88%	0.877	75%	0.752	S	S	*	*			trans	-77.9	81.9	174.8	32.1	-32.9	0	0	0	108.9	E136	P134-E136 PolarHBondContact O-N 3.07Å
135	G	30.7	Very low	42.5	Very low	54 Å²	54	143.4 Å²	143.4	56%	0.557	74%	0.738	S	S	*	*			trans	-62.6	130.3	165.7	0	0	0	0	0	109.5	T133 V137	T133-G135 VanDerWaalsContact C-N 3.26Å; T133-G135 PolarHBondContact O-N 2.92Å; G135-V137 PolarHBondContact O-N 3.39Å
136	E	39.4	Very low	45.3	Very low	205 Å²	205	137.8 Å²	137.8	96%	0.958	71%	0.712	S	S	*	*			trans	-73.3	67.1	172.8	-170.4	172	-175.4	0	0	109.3	P134	P134-E136 PolarHBondContact O-N 3.07Å
137	V	36.4	Very low	48.6	Very low	128 Å²	128	137.4 Å²	137.4	78%	0.776	70%	0.699	S	S	*	*			trans	-93.6	114.7	168.3	-175.1	0	0	0	0	106.6	G135 R139	G135-V137 PolarHBondContact O-N 3.39Å; V137-R139 PolarHBondContact O-N 3.32Å
138	E	38.9	Very low	50.7	Low	171 Å²	171	132.2 Å²	132.2	80%	0.799	67%	0.665	S	S	*	*			trans	-20.6	119.3	159.8	-169.4	161.8	-145.9	0	0	112.2	T140	E138-T140 PolarHBondContact O-N 3.24Å
139	R	33.7	Very low	53.6	Low	215 Å²	215	127.5 Å²	127.5	81%	0.811	64%	0.643	S	S	*	*			trans	-63.3	107.8	164	-89.5	-176.3	169.4	74.7	-1.8	106.1	V137 E141	V137-R139 PolarHBondContact O-N 3.32Å; R139-E141 HydrophobicContact CB-CG 4.08Å; R139-E141 PolarHBondContact O-N 2.86Å
140	T	39.5	Very low	56.2	Low	128 Å²	128	117.8 Å²	117.8	79%	0.785	61%	0.605	S	S	*	*			trans	-61.3	88.1	146.3	-49	0	0	0	0	105.9	E138 E142	E138-T140 PolarHBondContact O-N 3.24Å; T140-E142 PolarHBondContact O-N 3.25Å
141	E	47.3	Very low	59	Low	110 Å²	110	113.7 Å²	113.7	51%	0.514	59%	0.592	S	S	.	*			trans	-59.2	108.4	163.2	-68.5	177.5	163.5	0	0	105.1	R139 Y143	R139-E141 HydrophobicContact CB-CG 4.08Å; R139-E141 PolarHBondContact O-N 2.86Å; E141-Y143 HydrophobicContact CB-CD2 3.83Å; E141-Y143 HydrophobicContact CB-CE2 3.41Å; E141-Y143 VanDerWaalsContact CB-CE2 3.41Å; E141-Y143 HydrophobicContact CG-CE2 4.41Å; E141-Y143 WeakPolarHBondContact O-CD2 3.36Å; E141-Y143 PolarHBondContact O-N 3.34Å; E141-Y143 VanDerWaalsContact OE2-CE2 3.31Å; E141-Y143 WeakPolarHBondContact OE2-CE2 3.48Å; E141-Y143 VanDerWaalsContact OE2-CZ 3.3Å; E141-Y143 PolarHBondContact OE2-OH 2.91Å
142	E	50	Low	61.6	Low	188 Å²	188	110.5 Å²	110.5	88%	0.879	56%	0.563	S	S	*	*			trans	-77.8	63.2	-173.5	-166.6	167.5	-163.7	0	0	109.2	T140 E144	T140-E142 PolarHBondContact O-N 3.25Å; E142-E144 PolarHBondContact O-N 3.16Å; E142-E144 VanDerWaalsContact O-N 3.15Å
143	Y	66	Low	64.1	Low	93 Å²	93	107.3 Å²	107.3	37%	0.365	56%	0.558	S	S	.	*			trans	-53.2	119.7	173.5	-72.3	-78.6	0	0	0	108.5	E141 Y145 T229	E141-Y143 HydrophobicContact CB-CD2 3.83Å; E141-Y143 HydrophobicContact CB-CE2 3.41Å; E141-Y143 VanDerWaalsContact CB-CE2 3.41Å; E141-Y143 HydrophobicContact CG-CE2 4.41Å; E141-Y143 WeakPolarHBondContact O-CD2 3.36Å; E141-Y143 PolarHBondContact O-N 3.34Å; E141-Y143 VanDerWaalsContact OE2-CE2 3.31Å; E141-Y143 WeakPolarHBondContact OE2-CE2 3.48Å; E141-Y143 VanDerWaalsContact OE2-CZ 3.3Å; E141-Y143 PolarHBondContact OE2-OH 2.91Å; Y143-Y145 WeakPolarHBondContact O-CD2 3.46Å; Y143-Y145 WeakPolarHBondContact O-CE2 3.33Å; Y143-Y145 PolarHBondContact O-N 3.45Å; Y143-T229 HydrophobicContact CG-CG2 4.44Å
144	E	78.8	Confident	66.5	Low	107 Å²	107	105.8 Å²	105.8	50%	0.5	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	99.8	170.5	-171.9	-173.9	-145.8	0	0	108	E142 T229 R230	E142-E144 PolarHBondContact O-N 3.16Å; E142-E144 VanDerWaalsContact O-N 3.15Å; E144-T229 WeakPolarHBondContact O-CA 3.43Å; E144-R230 HydrophobicContact CB-CB 4.45Å; E144-R230 VanDerWaalsContact CD-NH1 3.28Å; E144-R230 PolarHBondContact O-N 3.41Å; E144-R230 VanDerWaalsContact O-N 3.17Å; E144-R230 IonicContact OE1-NH1 3.3Å; E144-R230 VanDerWaalsContact OE2-CD 3.29Å; E144-R230 WeakPolarHBondContact OE2-CD 3.36Å; E144-R230 IonicContact OE2-CZ 2.74Å; E144-R230 IonicContact OE2-NE 2.63Å; E144-R230 IonicContact OE2-NH1 3.84Å; E144-R230 PolarHBondContact OE2-NH1 3.19Å
145	Y	88.6	Confident	68	Low	140 Å²	140	107.9 Å²	107.9	55%	0.549	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	124.1	173.1	-64.2	-90.6	0	0	0	109.6	Y143 L199 L227 V228 T229	Y143-Y145 WeakPolarHBondContact O-CD2 3.46Å; Y143-Y145 WeakPolarHBondContact O-CE2 3.33Å; Y143-Y145 PolarHBondContact O-N 3.45Å; Y145-L199 HydrophobicContact CD1-CD1 4.02Å; Y145-L199 HydrophobicContact CE1-CD1 3.62Å; Y145-L227 HydrophobicContact CD1-CD1 4.44Å; Y145-L227 HydrophobicContact CD1-CD2 4.47Å; Y145-V228 WeakPolarHBondContact CA-O 3.5Å; Y145-T229 HydrophobicContact CD1-CG2 3.22Å; Y145-T229 HydrophobicContact CD2-CG2 4.41Å; Y145-T229 HydrophobicContact CE1-CG2 3.35Å; Y145-T229 HydrophobicContact CE2-CG2 4.5Å; Y145-T229 HydrophobicContact CG-CG2 3.79Å
146	E	90.4	Very high	70.3	Confident	46 Å²	46	114 Å²	114	22%	0.215	55%	0.549	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	127.3	174.2	-160.9	171.3	155.5	0	0	110.4	V148 R191 V228 R230	E146-V148 HydrophobicContact CG-CG2 4.18Å; E146-R191 VanDerWaalsContact OE1-CB 3.27Å; E146-R191 WeakPolarHBondContact OE1-CB 3.3Å; E146-R191 WeakPolarHBondContact OE1-CD 3.5Å; E146-R191 WeakPolarHBondContact OE1-CG 3.41Å; E146-V228 HydrophobicContact CB-CG2 4.07Å; E146-V228 PolarHBondContact N-O 2.92Å; E146-V228 WeakPolarHBondContact O-CG2 3.49Å; E146-V228 PolarHBondContact O-N 3.37Å; E146-R230 IonicContact OE2-CZ 3.44Å; E146-R230 IonicContact OE2-NH1 2.74Å; E146-R230 PolarHBondContact OE2-NH1 3.1Å; E146-R230 IonicContact OE2-NH2 3.9Å; E146-R230 PolarHBondContact OE2-NH2 2.96Å
147	E	93.6	Very high	72.4	Confident	104 Å²	104	106.3 Å²	106.3	49%	0.486	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	115.8	171.3	-170.8	177.1	-178.7	0	0	109.9	R191 R225 L226	E147-R191 PolarHBondContact O-NH1 3.41Å; E147-R225 WeakPolarHBondContact OE1-CD 3.23Å; E147-R225 IonicContact OE1-CZ 3.64Å; E147-R225 IonicContact OE1-NE 2.62Å; E147-R225 IonicContact OE1-NH1 3.17Å; E147-R225 PolarHBondContact OE1-NH1 3.1Å; E147-L226 WeakPolarHBondContact CA-O 3.33Å
148	V	94	Very high	74.8	Confident	0 Å²	0	106.7 Å²	106.7	0%	0	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	118.5	-177.8	-179.8	0	0	0	0	110.1	E146 L150 D189 R191 I192 R225 L226	E146-V148 HydrophobicContact CG-CG2 4.18Å; V148-L150 HydrophobicContact CG1-CD2 3.71Å; V148-L150 HydrophobicContact CG1-CG 4.19Å; V148-D189 WeakPolarHBondContact CG1-OD1 3.34Å; V148-R191 HydrophobicContact CG1-CB 4.31Å; V148-R191 HydrophobicContact CG2-CB 3.64Å; V148-I192 HydrophobicContact CB-CD1 4.15Å; V148-I192 HydrophobicContact CB-CG1 4.08Å; V148-I192 HydrophobicContact CG1-CD1 3.77Å; V148-I192 HydrophobicContact CG1-CG1 3.91Å; V148-I192 HydrophobicContact CG2-CG1 3.99Å; V148-R225 CarbonylContact O-C 3.57Å; V148-R225 WeakPolarHBondContact O-CA 3.27Å; V148-L226 PolarHBondContact N-O 3.3Å; V148-L226 PolarHBondContact O-N 3.19Å
149	E	93.9	Very high	77.3	Confident	81 Å²	81	99.3 Å²	99.3	38%	0.379	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	111.8	171.3	-172.1	163.6	-147	0	0	111.1	S223 R225	E149-S223 WeakPolarHBondContact OE1-CB 3.19Å; E149-S223 PolarHBondContact OE1-OG 3.34Å; E149-R225 HydrophobicContact CB-CG 3.88Å; E149-R225 HydrophobicContact CG-CG 3.72Å
150	L	92.1	Very high	80	Confident	1 Å²	1	89.4 Å²	89.4	1%	0.005	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	116.9	175.9	-60.6	-175.9	0	0	0	110.7	V148 L159 L161 I185 A186 D189 I192 S223 I224 L226	V148-L150 HydrophobicContact CG1-CD2 3.71Å; V148-L150 HydrophobicContact CG1-CG 4.19Å; L150-L159 HydrophobicContact CB-CD2 3.97Å; L150-L159 HydrophobicContact CD1-CB 4.49Å; L150-L159 HydrophobicContact CD1-CD2 4Å; L150-L161 HydrophobicContact CD1-CD1 4.21Å; L150-I185 HydrophobicContact CB-CG2 3.99Å; L150-I185 HydrophobicContact CD2-CG2 4.28Å; L150-A186 HydrophobicContact CD1-CB 4.08Å; L150-A186 HydrophobicContact CD2-CB 4.5Å; L150-D189 HydrophobicContact CD2-CB 3.76Å; L150-I192 HydrophobicContact CD1-CD1 3.79Å; L150-I192 HydrophobicContact CD2-CD1 4.04Å; L150-I192 HydrophobicContact CG-CD1 4.11Å; L150-S223 CarbonylContact O-C 3.54Å; L150-S223 WeakPolarHBondContact O-CA 3.44Å; L150-I224 PolarHBondContact N-O 3.33Å; L150-I224 PolarHBondContact O-N 2.8Å; L150-L226 HydrophobicContact CD1-CD1 3.72Å; L150-L226 HydrophobicContact CG-CD1 4.26Å
151	C	89.8	Confident	82.5	Confident	79 Å²	79	84.6 Å²	84.6	53%	0.534	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	126.4	179.8	-71.1	0	0	0	0	112.6	I185 S223	C151-I185 WeakPolarHBondContact O-CG2 3.48Å; C151-S223 VanDerWaalsContact SG-CB 3.6Å
152	R	88.4	Confident	84.7	Confident	45 Å²	45	81.8 Å²	81.8	17%	0.17	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-89.7	119.4	174.1	-49.3	-177.1	71.3	-166.4	-3	109	R155 D157 L159 I185 S218 K222	R152-R155 PolarHBondContact NH2-O 3.45Å; R152-D157 PolarHBondContact NE-O 3.38Å; R152-D157 VanDerWaalsContact NE-O 3.1Å; R152-D157 PolarHBondContact NH2-O 3.43Å; R152-L159 HydrophobicContact CG-CD2 4.21Å; R152-I185 HydrophobicContact CB-CD1 4.09Å; R152-I185 HydrophobicContact CG-CD1 3.77Å; R152-S218 PolarHBondContact NH1-O 2.85Å; R152-K222 PolarHBondContact N-O 2.77Å
153	A	81.6	Confident	86.7	Confident	90 Å²	90	73.3 Å²	73.3	74%	0.744	36%	0.358	S	S	*	.	S	Bend	trans	-80	-42.3	178.4	0	0	0	0	0	110.9	D157	A153-D157 WeakPolarHBondContact CA-OD2 3.45Å; A153-D157 WeakPolarHBondContact CB-OD2 3.1Å; A153-D157 PolarHBondContact N-OD2 3.14Å
154	N	81.3	Confident	87.8	Confident	101 Å²	101	71 Å²	71	54%	0.54	35%	0.354	S	S	.	.	S	Bend	trans	-118.3	159.7	173.4	-46.8	-72	0	0	0	111.1	E156 D157	N154-E156 PolarHBondContact O-N 2.88Å; N154-D157 WeakPolarHBondContact CB-OD1 3.36Å; N154-D157 PolarHBondContact N-OD2 3.26Å; N154-D157 PolarHBondContact ND2-OD1 3.41Å; N154-D157 PolarHBondContact ND2-OD2 3.43Å; N154-D157 WeakPolarHBondContact O-CB 3.43Å; N154-D157 PolarHBondContact O-N 2.74Å
155	R	74.4	Confident	88.2	Confident	180 Å²	180	70.1 Å²	70.1	68%	0.679	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-25.2	174.1	-66.7	-174.8	179.1	-128.3	1.1	113.5	R152 E219	R152-R155 PolarHBondContact NH2-O 3.45Å; R155-E219 IonicContact NH1-OE2 3.19Å; R155-E219 PolarHBondContact NH1-OE2 3.4Å
156	E	77.6	Confident	87.8	Confident	182 Å²	182	66.9 Å²	66.9	85%	0.85	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-18	179.1	-62.4	178.2	-172.7	0	0	112.4	N154 K158	N154-E156 PolarHBondContact O-N 2.88Å; E156-K158 PolarHBondContact O-N 3.18Å
157	D	84.1	Confident	86.7	Confident	43 Å²	43	71.2 Å²	71.2	23%	0.23	36%	0.363	C	S	.	.			trans	-68.1	123.5	-179.6	-57.1	-14.8	0	0	0	110.1	R152 A153 N154 I185	R152-D157 PolarHBondContact NE-O 3.38Å; R152-D157 VanDerWaalsContact NE-O 3.1Å; R152-D157 PolarHBondContact NH2-O 3.43Å; A153-D157 WeakPolarHBondContact CA-OD2 3.45Å; A153-D157 WeakPolarHBondContact CB-OD2 3.1Å; A153-D157 PolarHBondContact N-OD2 3.14Å; N154-D157 WeakPolarHBondContact CB-OD1 3.36Å; N154-D157 PolarHBondContact N-OD2 3.26Å; N154-D157 PolarHBondContact ND2-OD1 3.41Å; N154-D157 PolarHBondContact ND2-OD2 3.43Å; N154-D157 WeakPolarHBondContact O-CB 3.43Å; N154-D157 PolarHBondContact O-N 2.74Å; D157-I185 HydrophobicContact CB-CD1 3.8Å; D157-I185 HydrophobicContact CB-CG1 4.3Å
158	K	87.4	Confident	85.6	Confident	137 Å²	137	71.3 Å²	71.3	60%	0.596	37%	0.367	S	S	*	.			trans	-86.6	144.5	174.4	-65.2	-179.2	179.5	-179.9	0	111.4	E156 G160 I185	E156-K158 PolarHBondContact O-N 3.18Å; K158-G160 VanDerWaalsContact C-N 3.26Å; K158-G160 PolarHBondContact O-N 3.22Å; K158-I185 WeakPolarHBondContact O-CG1 3.43Å; K158-I185 PolarHBondContact O-N 3.44Å
159	L	90.3	Very high	84.5	Confident	15 Å²	15	75.1 Å²	75.1	8%	0.079	39%	0.388	C	S	.	.			trans	-62.5	-35.4	168.8	-59.7	178.1	0	0	0	112.1	L150 R152 S184 I185 A186 L216 I224	L150-L159 HydrophobicContact CB-CD2 3.97Å; L150-L159 HydrophobicContact CD1-CB 4.49Å; L150-L159 HydrophobicContact CD1-CD2 4Å; R152-L159 HydrophobicContact CG-CD2 4.21Å; L159-S184 WeakPolarHBondContact O-CB 3.45Å; L159-S184 PolarHBondContact O-OG 2.9Å; L159-I185 HydrophobicContact CD2-CD1 4.05Å; L159-A186 WeakPolarHBondContact O-CB 3.43Å; L159-A186 PolarHBondContact O-N 3.15Å; L159-L216 HydrophobicContact CD1-CB 4.02Å; L159-L216 HydrophobicContact CD1-CD2 3.67Å; L159-L216 HydrophobicContact CD1-CG 4.4Å; L159-I224 HydrophobicContact CD1-CD1 3.83Å; L159-I224 HydrophobicContact CD2-CD1 4.3Å
160	G	91	Very high	83.1	Confident	8 Å²	8	81.3 Å²	81.3	8%	0.082	42%	0.417	C	S	.	.			trans	78.4	16.1	178.7	0	0	0	0	0	115.6	K158 V180 E181	K158-G160 VanDerWaalsContact C-N 3.26Å; K158-G160 PolarHBondContact O-N 3.22Å; G160-V180 CarbonylContact O-C 3.57Å; G160-V180 WeakPolarHBondContact O-CA 3.48Å; G160-E181 WeakPolarHBondContact CA-OE2 3.43Å; G160-E181 PolarHBondContact O-N 3.2Å
161	L	92.9	Very high	82.2	Confident	26 Å²	26	90.3 Å²	90.3	14%	0.136	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	122.6	176.4	-61.7	176	0	0	0	110.6	L150 V177 V180 A186 I192 L226	L150-L161 HydrophobicContact CD1-CD1 4.21Å; L161-V177 HydrophobicContact CD2-CG1 4.05Å; L161-V177 HydrophobicContact CD2-CG2 4.44Å; L161-V180 HydrophobicContact CD2-CG1 4.48Å; L161-V180 HydrophobicContact CD2-CG2 4.28Å; L161-A186 HydrophobicContact CD2-CB 3.53Å; L161-A186 HydrophobicContact CG-CB 3.99Å; L161-I192 HydrophobicContact CD1-CD1 4.3Å; L161-I192 HydrophobicContact CD2-CD1 4.5Å; L161-I192 HydrophobicContact CD2-CG2 3.76Å; L161-L226 HydrophobicContact CD1-CD1 3.71Å
162	T	91.6	Very high	81.9	Confident	51 Å²	51	88 Å²	88	31%	0.313	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	130.7	165.8	-53.1	0	0	0	0	109.1	S178 Q179	T162-S178 VanDerWaalsContact CG2-OG 3.3Å; T162-S178 WeakPolarHBondContact CG2-OG 3.47Å; T162-S178 PolarHBondContact O-N 3.4Å; T162-S178 PolarHBondContact O-OG 2.95Å; T162-Q179 PolarHBondContact N-O 3.03Å
163	L	92.3	Very high	81.6	Confident	11 Å²	11	89.5 Å²	89.5	6%	0.058	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	142.6	-177.6	-55.2	-178.5	0	0	0	112.2	I175 Y176 I198 R209 A212 V213 L216	L163-I175 HydrophobicContact CB-CG2 4.18Å; L163-I175 HydrophobicContact CD1-CG2 3.91Å; L163-I175 HydrophobicContact CD2-CG2 4.14Å; L163-I175 HydrophobicContact CG-CG2 4.3Å; L163-Y176 CarbonylContact C-O 3.59Å; L163-Y176 WeakPolarHBondContact CA-O 3.31Å; L163-I198 HydrophobicContact CD2-CD1 3.55Å; L163-R209 PolarHBondContact O-NH1 3.33Å; L163-R209 PolarHBondContact O-NH2 2.97Å; L163-A212 HydrophobicContact CD1-CB 3.79Å; L163-V213 HydrophobicContact CD1-CG2 4.47Å; L163-L216 HydrophobicContact CD1-CD1 3.78Å; L163-L216 HydrophobicContact CG-CD1 4.48Å
164	C	89.4	Confident	81.8	Confident	43 Å²	43	85.4 Å²	85.4	29%	0.291	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	170	167.6	69	0	0	0	0	112.2	Y176 S178	C164-Y176 PolarHBondContact N-O 2.97Å; C164-Y176 PolarHBondContact O-N 2.85Å; C164-S178 VanDerWaalsContact SG-CB 3.59Å
165	Y	88.4	Confident	82.3	Confident	90 Å²	90	80.7 Å²	80.7	35%	0.353	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	156.2	159.1	-63.7	-69.4	0	0	0	108	I175 R209	Y165-I175 HydrophobicContact CE1-CG1 4.27Å; Y165-R209 HydrophobicContact CE1-CB 4.32Å; Y165-R209 HydrophobicContact CE2-CB 3.86Å; Y165-R209 WeakPolarHBondContact OH-CB 3.35Å; Y165-R209 PolarHBondContact OH-N 3.42Å
166	R	79.7	Confident	83.2	Confident	71 Å²	71	72.9 Å²	72.9	27%	0.268	37%	0.367	S	S	.	.			trans	-69.3	159	164.1	-78.9	-179.3	69.2	-148.2	0.9	110.7	D168 D169 D172 Y176	R166-D168 WeakPolarHBondContact CB-OD1 3.24Å; R166-D168 IonicContact CZ-OD2 2.73Å; R166-D168 IonicContact NE-OD1 2.6Å; R166-D168 PolarHBondContact NE-OD1 3.41Å; R166-D168 IonicContact NE-OD2 3.47Å; R166-D168 PolarHBondContact NE-OD2 3.07Å; R166-D168 IonicContact NH2-OD1 2.71Å; R166-D168 IonicContact NH2-OD2 3.36Å; R166-D168 PolarHBondContact NH2-OD2 3.34Å; R166-D169 IonicContact CZ-OD2 3.26Å; R166-D169 IonicContact NH1-OD2 3.39Å; R166-D169 PolarHBondContact NH1-OD2 3.4Å; R166-D169 IonicContact NH2-OD2 3.12Å; R166-D169 PolarHBondContact NH2-OD2 2.94Å; R166-D172 IonicContact NH1-OD2 2.68Å; R166-D172 PolarHBondContact NH1-OD2 3.48Å; R166-Y176 HydrophobicContact CB-CE2 4.42Å; R166-Y176 HydrophobicContact CG-CD2 3.87Å; R166-Y176 HydrophobicContact CG-CE2 3.71Å
167	T	66.6	Low	83.9	Confident	137 Å²	137	64.3 Å²	64.3	84%	0.84	33%	0.327	S	S	*	.	S	Bend	trans	-137.3	0.3	-172.3	59.6	0	0	0	0	113.6
168	D	71.5	Confident	84.3	Confident	106 Å²	106	64.7 Å²	64.7	57%	0.567	33%	0.333	S	S	*	.	S	Bend	trans	-87.8	-35.4	177.4	37.6	-33	0	0	0	111.7	R166	R166-D168 WeakPolarHBondContact CB-OD1 3.24Å; R166-D168 IonicContact CZ-OD2 2.73Å; R166-D168 IonicContact NE-OD1 2.6Å; R166-D168 PolarHBondContact NE-OD1 3.41Å; R166-D168 IonicContact NE-OD2 3.47Å; R166-D168 PolarHBondContact NE-OD2 3.07Å; R166-D168 IonicContact NH2-OD1 2.71Å; R166-D168 IonicContact NH2-OD2 3.36Å; R166-D168 PolarHBondContact NH2-OD2 3.34Å
169	D	70.8	Confident	84.4	Confident	81 Å²	81	63.2 Å²	63.2	43%	0.433	33%	0.328	S	S	.	.			trans	-116.1	113.7	177.9	-60.8	-49.9	0	0	0	110.5	R166 E171 D172	R166-D169 IonicContact CZ-OD2 3.26Å; R166-D169 IonicContact NH1-OD2 3.39Å; R166-D169 PolarHBondContact NH1-OD2 3.4Å; R166-D169 IonicContact NH2-OD2 3.12Å; R166-D169 PolarHBondContact NH2-OD2 2.94Å; D169-E171 PolarHBondContact O-N 2.98Å; D169-E171 VanDerWaalsContact O-N 3.14Å; D169-D172 HydrophobicContact CB-CB 4.23Å; D169-D172 PolarHBondContact O-N 3.09Å
170	E	64.9	Low	84.6	Confident	210 Å²	210	63.4 Å²	63.4	98%	0.981	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-4.1	-179.4	-66.2	-172.3	149.6	0	0	113.7
171	E	73.2	Confident	84.7	Confident	190 Å²	190	66.7 Å²	66.7	89%	0.888	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	-12.3	-177.4	-65.8	172.6	171.5	0	0	112.8	D169 T173	D169-E171 PolarHBondContact O-N 2.98Å; D169-E171 VanDerWaalsContact O-N 3.14Å; E171-T173 PolarHBondContact O-N 2.95Å
172	D	81.7	Confident	84.6	Confident	30 Å²	30	70.3 Å²	70.3	16%	0.16	37%	0.369	C	S	.	.			trans	-93	98.4	179.7	-173.5	17.5	0	0	0	112.1	R166 D169 G174 Y176 R197	R166-D172 IonicContact NH1-OD2 2.68Å; R166-D172 PolarHBondContact NH1-OD2 3.48Å; D169-D172 HydrophobicContact CB-CB 4.23Å; D169-D172 PolarHBondContact O-N 3.09Å; D172-G174 PolarHBondContact O-N 3.26Å; D172-G174 WeakPolarHBondContact OD1-CA 3.4Å; D172-G174 PolarHBondContact OD1-N 3.37Å; D172-Y176 PolarHBondContact OD2-OH 2.93Å; D172-R197 VanDerWaalsContact CG-NH1 3.31Å; D172-R197 IonicContact OD1-CZ 3.62Å; D172-R197 VanDerWaalsContact OD1-CZ 3.26Å; D172-R197 IonicContact OD1-NH1 3.16Å; D172-R197 PolarHBondContact OD1-NH1 2.87Å; D172-R197 IonicContact OD1-NH2 3.14Å; D172-R197 PolarHBondContact OD1-NH2 3.44Å; D172-R197 IonicContact OD2-NH1 3.74Å; D172-R197 PolarHBondContact OD2-NH1 3.21Å; D172-R197 VanDerWaalsContact OD2-NH1 3.16Å
173	T	82	Confident	84.4	Confident	78 Å²	78	74.9 Å²	74.9	48%	0.479	39%	0.391	S	S	.	.			trans	-78.5	10.5	172.4	52.1	0	0	0	0	113.6	E171 Q207	E171-T173 PolarHBondContact O-N 2.95Å; T173-Q207 VanDerWaalsContact O-O 3.12Å
174	G	87.7	Confident	84.3	Confident	3 Å²	3	75 Å²	75	3%	0.031	39%	0.393	C	S	.	.			trans	-57.6	139.2	-179.6	0	0	0	0	0	114.3	D172 Y176 R197	D172-G174 PolarHBondContact O-N 3.26Å; D172-G174 WeakPolarHBondContact OD1-CA 3.4Å; D172-G174 PolarHBondContact OD1-N 3.37Å; G174-Y176 VanDerWaalsContact O-CD2 3.26Å; G174-Y176 WeakPolarHBondContact O-CD2 3.08Å; G174-R197 VanDerWaalsContact CA-CZ 3.49Å; G174-R197 VanDerWaalsContact CA-NH2 3.26Å
175	I	91.6	Very high	84.4	Confident	2 Å²	2	74 Å²	74	1%	0.01	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	126	174.7	-55.8	-179.4	0	0	0	108.7	L163 Y165 R197 I198 V206 Q207 D208 A212	L163-I175 HydrophobicContact CB-CG2 4.18Å; L163-I175 HydrophobicContact CD1-CG2 3.91Å; L163-I175 HydrophobicContact CD2-CG2 4.14Å; L163-I175 HydrophobicContact CG-CG2 4.3Å; Y165-I175 HydrophobicContact CE1-CG1 4.27Å; I175-R197 CarbonylContact O-C 3.57Å; I175-R197 WeakPolarHBondContact O-CA 3.25Å; I175-I198 PolarHBondContact O-N 3.04Å; I175-V206 HydrophobicContact CD1-CB 4.34Å; I175-V206 HydrophobicContact CD1-CG1 3.76Å; I175-Q207 WeakPolarHBondContact CD1-O 3.31Å; I175-Q207 WeakPolarHBondContact CG1-O 3.26Å; I175-D208 WeakPolarHBondContact CD1-O 3.46Å; I175-A212 HydrophobicContact CD1-CB 3.65Å
176	Y	92.3	Very high	84.7	Confident	16 Å²	16	69.7 Å²	69.7	6%	0.063	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	144.2	-173.3	-72	-88.5	0	0	0	112	L163 C164 R166 D172 G174 S178 D196 R197 P231	L163-Y176 CarbonylContact C-O 3.59Å; L163-Y176 WeakPolarHBondContact CA-O 3.31Å; C164-Y176 PolarHBondContact N-O 2.97Å; C164-Y176 PolarHBondContact O-N 2.85Å; R166-Y176 HydrophobicContact CB-CE2 4.42Å; R166-Y176 HydrophobicContact CG-CD2 3.87Å; R166-Y176 HydrophobicContact CG-CE2 3.71Å; D172-Y176 PolarHBondContact OD2-OH 2.93Å; G174-Y176 VanDerWaalsContact O-CD2 3.26Å; G174-Y176 WeakPolarHBondContact O-CD2 3.08Å; Y176-S178 PolarHBondContact O-N 2.68Å; Y176-D196 WeakPolarHBondContact CA-O 3.38Å; Y176-R197 HydrophobicContact CD1-CB 3.96Å; Y176-R197 HydrophobicContact CD1-CG 4.39Å; Y176-R197 HydrophobicContact CE1-CB 3.59Å; Y176-R197 HydrophobicContact CE1-CG 3.91Å; Y176-R197 HydrophobicContact CE2-CG 4.37Å; Y176-R197 PolarHBondContact OH-NH1 3.16Å; Y176-P231 HydrophobicContact CE1-CG 4.2Å
177	V	92.9	Very high	85.2	Confident	2 Å²	2	68.3 Å²	68.3	1%	0.012	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	107.5	171	179.8	0	0	0	0	108.7	L161 V180 I192 K193 G195 D196 I198	L161-V177 HydrophobicContact CD2-CG1 4.05Å; L161-V177 HydrophobicContact CD2-CG2 4.44Å; V177-V180 HydrophobicContact CG1-CG2 3.84Å; V177-I192 HydrophobicContact CG1-CG2 4.25Å; V177-I192 HydrophobicContact CG2-CG2 3.93Å; V177-K193 WeakPolarHBondContact CB-O 3.38Å; V177-K193 WeakPolarHBondContact CG1-O 3.49Å; V177-G195 PolarHBondContact O-N 3.47Å; V177-D196 HydrophobicContact CB-CB 4.46Å; V177-D196 HydrophobicContact CG2-CB 4.26Å; V177-D196 PolarHBondContact N-O 3.01Å; V177-I198 HydrophobicContact CG2-CD1 4.08Å; V177-I198 HydrophobicContact CG2-CG1 4.08Å
178	S	91.6	Very high	86.4	Confident	52 Å²	52	71.7 Å²	71.7	36%	0.364	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-24.4	-177.6	78.4	0	0	0	0	113.8	T162 C164 Y176	T162-S178 VanDerWaalsContact CG2-OG 3.3Å; T162-S178 WeakPolarHBondContact CG2-OG 3.47Å; T162-S178 PolarHBondContact O-N 3.4Å; T162-S178 PolarHBondContact O-OG 2.95Å; C164-S178 VanDerWaalsContact SG-CB 3.59Å; Y176-S178 PolarHBondContact O-N 2.68Å
179	Q	91	Very high	87.3	Confident	105 Å²	105	69.2 Å²	69.2	49%	0.491	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	143.8	177.4	-170.1	172.2	16.8	0	0	110.5	T162 E194	T162-Q179 PolarHBondContact N-O 3.03Å; Q179-E194 VanDerWaalsContact CA-OE1 3.27Å; Q179-E194 WeakPolarHBondContact CA-OE1 3.43Å; Q179-E194 WeakPolarHBondContact CG-OE1 3.22Å
180	V	94.1	Very high	88.2	Confident	20 Å²	20	67.7 Å²	67.7	12%	0.121	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	119.1	169.1	-168	0	0	0	0	110.1	G160 L161 V177 A186 A187 E194	G160-V180 CarbonylContact O-C 3.57Å; G160-V180 WeakPolarHBondContact O-CA 3.48Å; L161-V180 HydrophobicContact CD2-CG1 4.48Å; L161-V180 HydrophobicContact CD2-CG2 4.28Å; V177-V180 HydrophobicContact CG1-CG2 3.84Å; V180-A186 HydrophobicContact CG1-CB 3.8Å; V180-A187 HydrophobicContact CG1-CB 3.92Å; V180-E194 HydrophobicContact CG2-CG 4.13Å; V180-E194 PolarHBondContact N-OE1 3.02Å
181	E	93	Very high	89.5	Confident	76 Å²	76	61.8 Å²	61.8	36%	0.355	33%	0.328	S	S	.	.			trans	-64.7	127.6	-179.8	-70.9	-173.8	147.8	0	0	110.7	G160 S184 A187	G160-E181 WeakPolarHBondContact CA-OE2 3.43Å; G160-E181 PolarHBondContact O-N 3.2Å; E181-S184 WeakPolarHBondContact O-CB 3.25Å; E181-S184 PolarHBondContact O-N 3.06Å; E181-S184 PolarHBondContact O-OG 3.3Å; E181-A187 VanDerWaalsContact O-CB 3.22Å; E181-A187 WeakPolarHBondContact O-CB 3.47Å
182	P	89.3	Confident	90.4	Very high	102 Å²	102	53.1 Å²	53.1	66%	0.662	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	139.4	-179.6	26.1	-34.4	0	0	0	111.9	S184	P182-S184 PolarHBondContact O-N 3.48Å
183	N	87.6	Confident	90.8	Very high	147 Å²	147	56.6 Å²	56.6	79%	0.786	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	3.6	-173	-42.8	-81.7	0	0	0	116
184	S	91.9	Very high	91.3	Very high	13 Å²	13	57.5 Å²	57.5	9%	0.091	30%	0.3	C	S	.	.	S	Bend	trans	-68.7	174.3	171.4	68	0	0	0	0	113.3	L159 E181 P182 A187 R188	L159-S184 WeakPolarHBondContact O-CB 3.45Å; L159-S184 PolarHBondContact O-OG 2.9Å; E181-S184 WeakPolarHBondContact O-CB 3.25Å; E181-S184 PolarHBondContact O-N 3.06Å; E181-S184 PolarHBondContact O-OG 3.3Å; P182-S184 PolarHBondContact O-N 3.48Å; S184-A187 PolarHBondContact O-N 2.78Å; S184-A187 WeakPolarHBondContact OG-CB 3.42Å; S184-A187 PolarHBondContact OG-N 3.32Å; S184-A187 VanDerWaalsContact OG-N 3.16Å; S184-R188 WeakPolarHBondContact O-CB 3.25Å; S184-R188 VanDerWaalsContact O-CG 3.23Å; S184-R188 WeakPolarHBondContact O-CG 3.38Å; S184-R188 PolarHBondContact O-N 2.65Å
185	I	91.3	Very high	91.4	Very high	22 Å²	22	58.8 Å²	58.8	11%	0.113	31%	0.312	C	S	.	.	H	α-helix	trans	-60.7	-46.8	175.1	-58.6	163.8	0	0	0	110.6	L150 C151 R152 D157 K158 L159 A187 R188 D189	L150-I185 HydrophobicContact CB-CG2 3.99Å; L150-I185 HydrophobicContact CD2-CG2 4.28Å; C151-I185 WeakPolarHBondContact O-CG2 3.48Å; R152-I185 HydrophobicContact CB-CD1 4.09Å; R152-I185 HydrophobicContact CG-CD1 3.77Å; D157-I185 HydrophobicContact CB-CD1 3.8Å; D157-I185 HydrophobicContact CB-CG1 4.3Å; K158-I185 WeakPolarHBondContact O-CG1 3.43Å; K158-I185 PolarHBondContact O-N 3.44Å; L159-I185 HydrophobicContact CD2-CD1 4.05Å; I185-A187 PolarHBondContact O-N 3.02Å; I185-R188 PolarHBondContact O-N 3.31Å; I185-D189 PolarHBondContact O-N 3.1Å
186	A	93.1	Very high	91.4	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-64.3	-41.2	179.1	0	0	0	0	0	112.5	L150 L159 L161 V180 R188 D189 G190 I192	L150-A186 HydrophobicContact CD1-CB 4.08Å; L150-A186 HydrophobicContact CD2-CB 4.5Å; L159-A186 WeakPolarHBondContact O-CB 3.43Å; L159-A186 PolarHBondContact O-N 3.15Å; L161-A186 HydrophobicContact CD2-CB 3.53Å; L161-A186 HydrophobicContact CG-CB 3.99Å; V180-A186 HydrophobicContact CG1-CB 3.8Å; A186-R188 PolarHBondContact O-N 3.4Å; A186-D189 PolarHBondContact O-N 3.44Å; A186-G190 PolarHBondContact O-N 2.9Å; A186-I192 HydrophobicContact CB-CD1 4.49Å
187	A	91.5	Very high	91.4	Very high	43 Å²	43	61.1 Å²	61.1	36%	0.355	32%	0.321	S	S	.	.	H	α-helix	trans	-67.6	-22.9	175.7	0	0	0	0	0	113.8	V180 E181 S184 I185	V180-A187 HydrophobicContact CG1-CB 3.92Å; E181-A187 VanDerWaalsContact O-CB 3.22Å; E181-A187 WeakPolarHBondContact O-CB 3.47Å; S184-A187 PolarHBondContact O-N 2.78Å; S184-A187 WeakPolarHBondContact OG-CB 3.42Å; S184-A187 PolarHBondContact OG-N 3.32Å; S184-A187 VanDerWaalsContact OG-N 3.16Å; I185-A187 PolarHBondContact O-N 3.02Å
188	R	90.6	Very high	91.4	Very high	208 Å²	208	61 Å²	61	79%	0.785	32%	0.321	S	S	*	.	H	α-helix	trans	-87.7	-25	176.3	-74.2	177.8	63.3	-162.4	-4.7	113.4	S184 I185 A186	S184-R188 WeakPolarHBondContact O-CB 3.25Å; S184-R188 VanDerWaalsContact O-CG 3.23Å; S184-R188 WeakPolarHBondContact O-CG 3.38Å; S184-R188 PolarHBondContact O-N 2.65Å; I185-R188 PolarHBondContact O-N 3.31Å; A186-R188 PolarHBondContact O-N 3.4Å
189	D	91.2	Very high	91.5	Very high	54 Å²	54	60.7 Å²	60.7	29%	0.289	32%	0.315	S	S	.	.	H	α-helix	trans	-78	-41.5	171	-177.1	-83.7	0	0	0	111.1	V148 L150 I185 A186 R191	V148-D189 WeakPolarHBondContact CG1-OD1 3.34Å; L150-D189 HydrophobicContact CD2-CB 3.76Å; I185-D189 PolarHBondContact O-N 3.1Å; A186-D189 PolarHBondContact O-N 3.44Å; D189-R191 PolarHBondContact O-N 2.99Å; D189-R191 VanDerWaalsContact OD1-CB 3.29Å; D189-R191 WeakPolarHBondContact OD1-CB 3.49Å; D189-R191 WeakPolarHBondContact OD1-CG 3.46Å; D189-R191 IonicContact OD1-CZ 3.61Å; D189-R191 PolarHBondContact OD1-N 3.34Å; D189-R191 IonicContact OD1-NE 3.3Å; D189-R191 PolarHBondContact OD1-NE 3.39Å; D189-R191 IonicContact OD1-NH2 2.75Å; D189-R191 IonicContact OD2-CZ 2.68Å; D189-R191 IonicContact OD2-NE 3.76Å; D189-R191 PolarHBondContact OD2-NE 3.03Å; D189-R191 IonicContact OD2-NH2 3.57Å; D189-R191 PolarHBondContact OD2-NH2 3.33Å
190	G	89.6	Confident	91.6	Very high	48 Å²	48	59.1 Å²	59.1	50%	0.495	31%	0.307	S	S	.	.			trans	77	-7.9	168.7	0	0	0	0	0	116	A186	A186-G190 PolarHBondContact O-N 2.9Å
191	R	91.8	Very high	91.6	Very high	87 Å²	87	58.1 Å²	58.1	33%	0.328	30%	0.302	S	S	.	.			trans	-70.5	-41.4	174.7	-69	179.4	-75.8	176.6	-7.7	112.4	E146 E147 V148 D189 R230	E146-R191 VanDerWaalsContact OE1-CB 3.27Å; E146-R191 WeakPolarHBondContact OE1-CB 3.3Å; E146-R191 WeakPolarHBondContact OE1-CD 3.5Å; E146-R191 WeakPolarHBondContact OE1-CG 3.41Å; E147-R191 PolarHBondContact O-NH1 3.41Å; V148-R191 HydrophobicContact CG1-CB 4.31Å; V148-R191 HydrophobicContact CG2-CB 3.64Å; D189-R191 PolarHBondContact O-N 2.99Å; D189-R191 VanDerWaalsContact OD1-CB 3.29Å; D189-R191 WeakPolarHBondContact OD1-CB 3.49Å; D189-R191 WeakPolarHBondContact OD1-CG 3.46Å; D189-R191 IonicContact OD1-CZ 3.61Å; D189-R191 PolarHBondContact OD1-N 3.34Å; D189-R191 IonicContact OD1-NE 3.3Å; D189-R191 PolarHBondContact OD1-NE 3.39Å; D189-R191 IonicContact OD1-NH2 2.75Å; D189-R191 IonicContact OD2-CZ 2.68Å; D189-R191 IonicContact OD2-NE 3.76Å; D189-R191 PolarHBondContact OD2-NE 3.03Å; D189-R191 IonicContact OD2-NH2 3.57Å; D189-R191 PolarHBondContact OD2-NH2 3.33Å; R191-R230 PolarHBondContact O-NH2 3.08Å
192	I	92.6	Very high	91.5	Very high	8 Å²	8	56.6 Å²	56.6	4%	0.041	30%	0.296	C	S	.	.			trans	-78.7	131.4	179.9	-58.8	163.9	0	0	0	110.2	V148 L150 L161 V177 A186 D196 L226	V148-I192 HydrophobicContact CB-CD1 4.15Å; V148-I192 HydrophobicContact CB-CG1 4.08Å; V148-I192 HydrophobicContact CG1-CD1 3.77Å; V148-I192 HydrophobicContact CG1-CG1 3.91Å; V148-I192 HydrophobicContact CG2-CG1 3.99Å; L150-I192 HydrophobicContact CD1-CD1 3.79Å; L150-I192 HydrophobicContact CD2-CD1 4.04Å; L150-I192 HydrophobicContact CG-CD1 4.11Å; L161-I192 HydrophobicContact CD1-CD1 4.3Å; L161-I192 HydrophobicContact CD2-CD1 4.5Å; L161-I192 HydrophobicContact CD2-CG2 3.76Å; V177-I192 HydrophobicContact CG1-CG2 4.25Å; V177-I192 HydrophobicContact CG2-CG2 3.93Å; A186-I192 HydrophobicContact CB-CD1 4.49Å; I192-D196 WeakPolarHBondContact CA-OD2 3.43Å; I192-L226 HydrophobicContact CD1-CD1 3.59Å
193	K	90.9	Very high	91.4	Very high	102 Å²	102	54 Å²	54	44%	0.443	29%	0.288	S	S	.	.			trans	-123.2	167.2	-175.2	-62	167.9	-165.5	161.9	0	111.1	V177 D196 R230	V177-K193 WeakPolarHBondContact CB-O 3.38Å; V177-K193 WeakPolarHBondContact CG1-O 3.49Å; K193-D196 PolarHBondContact N-OD2 3.19Å; K193-D196 PolarHBondContact O-N 2.99Å; K193-R230 VanDerWaalsContact NZ-CZ 3.33Å
194	E	91.9	Very high	91.4	Very high	98 Å²	98	53.1 Å²	53.1	46%	0.458	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	124.9	173.6	-58.2	-175.4	168.3	0	0	109.3	Q179 V180 Q234	Q179-E194 VanDerWaalsContact CA-OE1 3.27Å; Q179-E194 WeakPolarHBondContact CA-OE1 3.43Å; Q179-E194 WeakPolarHBondContact CG-OE1 3.22Å; V180-E194 HydrophobicContact CG2-CG 4.13Å; V180-E194 PolarHBondContact N-OE1 3.02Å; E194-Q234 PolarHBondContact O-NE2 3.26Å
195	G	89.1	Confident	91.4	Very high	29 Å²	29	57.9 Å²	57.9	30%	0.299	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	107.1	-15.7	-171.5	0	0	0	0	0	115	V177 R197	V177-G195 PolarHBondContact O-N 3.47Å; G195-R197 PolarHBondContact O-N 2.84Å
196	D	92.4	Very high	91.2	Very high	5 Å²	5	57.1 Å²	57.1	3%	0.027	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-61.4	132.9	178.6	-70.1	-2.8	0	0	0	111.3	Y176 V177 I192 K193 V228 R230	Y176-D196 WeakPolarHBondContact CA-O 3.38Å; V177-D196 HydrophobicContact CB-CB 4.46Å; V177-D196 HydrophobicContact CG2-CB 4.26Å; V177-D196 PolarHBondContact N-O 3.01Å; I192-D196 WeakPolarHBondContact CA-OD2 3.43Å; K193-D196 PolarHBondContact N-OD2 3.19Å; K193-D196 PolarHBondContact O-N 2.99Å; D196-V228 HydrophobicContact CB-CB 4.24Å; D196-V228 HydrophobicContact CB-CG1 4.4Å; D196-R230 IonicContact OD1-NE 3.59Å
197	R	92.2	Very high	90.7	Very high	62 Å²	62	61.8 Å²	61.8	23%	0.234	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	123.3	173.4	-172.1	-175.4	-179.4	113.5	-0.5	109.1	D172 G174 I175 Y176 G195 L199 V228 T229	D172-R197 VanDerWaalsContact CG-NH1 3.31Å; D172-R197 IonicContact OD1-CZ 3.62Å; D172-R197 VanDerWaalsContact OD1-CZ 3.26Å; D172-R197 IonicContact OD1-NH1 3.16Å; D172-R197 PolarHBondContact OD1-NH1 2.87Å; D172-R197 IonicContact OD1-NH2 3.14Å; D172-R197 PolarHBondContact OD1-NH2 3.44Å; D172-R197 IonicContact OD2-NH1 3.74Å; D172-R197 PolarHBondContact OD2-NH1 3.21Å; D172-R197 VanDerWaalsContact OD2-NH1 3.16Å; G174-R197 VanDerWaalsContact CA-CZ 3.49Å; G174-R197 VanDerWaalsContact CA-NH2 3.26Å; I175-R197 CarbonylContact O-C 3.57Å; I175-R197 WeakPolarHBondContact O-CA 3.25Å; Y176-R197 HydrophobicContact CD1-CB 3.96Å; Y176-R197 HydrophobicContact CD1-CG 4.39Å; Y176-R197 HydrophobicContact CE1-CB 3.59Å; Y176-R197 HydrophobicContact CE1-CG 3.91Å; Y176-R197 HydrophobicContact CE2-CG 4.37Å; Y176-R197 PolarHBondContact OH-NH1 3.16Å; G195-R197 PolarHBondContact O-N 2.84Å; R197-L199 HydrophobicContact CG-CD2 4.09Å; R197-V228 CarbonylContact O-C 3.59Å; R197-V228 WeakPolarHBondContact O-CA 3.44Å; R197-T229 PolarHBondContact N-O 3.22Å; R197-T229 PolarHBondContact O-N 3.31Å
198	I	93.4	Very high	90.5	Very high	1 Å²	1	64.2 Å²	64.2	1%	0.005	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	121.7	173.4	-54.4	-178.7	0	0	0	108.5	L163 I175 V177 I201 V228	L163-I198 HydrophobicContact CD2-CD1 3.55Å; I175-I198 PolarHBondContact O-N 3.04Å; V177-I198 HydrophobicContact CG2-CD1 4.08Å; V177-I198 HydrophobicContact CG2-CG1 4.08Å; I198-I201 HydrophobicContact CG2-CD1 4.1Å; I198-I201 HydrophobicContact CG2-CG1 3.74Å; I198-V228 HydrophobicContact CG1-CG1 4.25Å
199	L	92.1	Very high	90.3	Very high	45 Å²	45	58.5 Å²	58.5	24%	0.236	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	-43.2	175.3	-60.4	-174.1	0	0	0	112.2	Y145 R197 E205 V206 L227 T229	Y145-L199 HydrophobicContact CD1-CD1 4.02Å; Y145-L199 HydrophobicContact CE1-CD1 3.62Å; R197-L199 HydrophobicContact CG-CD2 4.09Å; L199-E205 WeakPolarHBondContact O-CA 3.41Å; L199-V206 PolarHBondContact O-N 3.31Å; L199-L227 HydrophobicContact CB-CD2 4.38Å; L199-L227 HydrophobicContact CB-CG 4.48Å; L199-L227 HydrophobicContact CD1-CD2 4.48Å; L199-L227 PolarHBondContact N-O 2.8Å; L199-T229 HydrophobicContact CD1-CG2 3.61Å; L199-T229 HydrophobicContact CG-CG2 4.36Å
200	Q	93.6	Very high	90.1	Very high	71 Å²	71	62.1 Å²	62.1	33%	0.332	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	148.2	-178.4	-52.4	-175.2	2.5	0	0	112.4	F204 L226 L227	Q200-F204 CarbonylContact C-O 3.51Å; Q200-F204 VanDerWaalsContact CA-O 3.22Å; Q200-F204 WeakPolarHBondContact CA-O 3.46Å; Q200-L226 WeakPolarHBondContact O-CA 3.08Å; Q200-L227 HydrophobicContact CB-CB 3.87Å; Q200-L227 HydrophobicContact CG-CB 4.2Å; Q200-L227 HydrophobicContact CG-CD2 4.03Å; Q200-L227 PolarHBondContact N-O 3.45Å; Q200-L227 PolarHBondContact O-N 3.31Å
201	I	93.9	Very high	90	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	119.8	172.7	-54.3	173.6	0	0	0	107.8	I198 G203 F204 V206 A212 L215 L216 I224 R225 L226	I198-I201 HydrophobicContact CG2-CD1 4.1Å; I198-I201 HydrophobicContact CG2-CG1 3.74Å; I201-G203 PolarHBondContact O-N 2.86Å; I201-F204 PolarHBondContact N-O 3.34Å; I201-F204 WeakPolarHBondContact O-CB 3.33Å; I201-F204 PolarHBondContact O-N 3.39Å; I201-V206 HydrophobicContact CB-CG2 3.99Å; I201-V206 HydrophobicContact CD1-CB 4.47Å; I201-V206 HydrophobicContact CD1-CG2 3.93Å; I201-V206 HydrophobicContact CG1-CG2 3.8Å; I201-A212 HydrophobicContact CD1-CB 3.78Å; I201-L215 HydrophobicContact CB-CB 4.11Å; I201-L215 HydrophobicContact CB-CD1 4.09Å; I201-L215 HydrophobicContact CG2-CB 3.67Å; I201-L216 HydrophobicContact CD1-CD1 4.23Å; I201-L216 HydrophobicContact CD1-CD2 4.08Å; I201-L216 HydrophobicContact CD1-CG 3.86Å; I201-L216 HydrophobicContact CG2-CD2 4.15Å; I201-I224 HydrophobicContact CG2-CG2 4Å; I201-R225 CarbonylContact C-O 3.59Å; I201-R225 WeakPolarHBondContact CA-O 3.38Å; I201-L226 HydrophobicContact CB-CD2 4.13Å; I201-L226 HydrophobicContact CD1-CD2 4.44Å; I201-L226 HydrophobicContact CG1-CD2 3.68Å; I201-L226 HydrophobicContact CG2-CD2 3.83Å
202	N	90.8	Very high	89.9	Confident	44 Å²	44	60 Å²	60	24%	0.235	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	32.5	-173.6	-65.4	-32.9	0	0	0	114.3	F204 I224 R225	N202-F204 VanDerWaalsContact C-N 3.29Å; N202-F204 HydrophobicContact CB-CD2 4.41Å; N202-F204 PolarHBondContact O-N 3.43Å; N202-I224 VanDerWaalsContact OD1-CA 3.31Å; N202-I224 WeakPolarHBondContact OD1-CA 3.32Å; N202-R225 PolarHBondContact N-O 2.83Å; N202-R225 PolarHBondContact OD1-N 3.23Å
203	G	87.1	Confident	89.7	Confident	48 Å²	48	62.7 Å²	62.7	50%	0.495	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	2.3	-176.7	0	0	0	0	0	114.9	I201	I201-G203 PolarHBondContact O-N 2.86Å
204	F	89.4	Confident	89.6	Confident	128 Å²	128	60.9 Å²	60.9	56%	0.561	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	125.5	169.2	-61.1	-80.6	0	0	0	109.6	Q200 I201 N202 V206 L215	Q200-F204 CarbonylContact C-O 3.51Å; Q200-F204 VanDerWaalsContact CA-O 3.22Å; Q200-F204 WeakPolarHBondContact CA-O 3.46Å; I201-F204 PolarHBondContact N-O 3.34Å; I201-F204 WeakPolarHBondContact O-CB 3.33Å; I201-F204 PolarHBondContact O-N 3.39Å; N202-F204 VanDerWaalsContact C-N 3.29Å; N202-F204 HydrophobicContact CB-CD2 4.41Å; N202-F204 PolarHBondContact O-N 3.43Å; F204-V206 WeakPolarHBondContact O-CG2 3.49Å; F204-L215 HydrophobicContact CB-CD1 4.17Å; F204-L215 HydrophobicContact CD2-CD2 4.32Å
205	E	90	Very high	89.4	Confident	113 Å²	113	58 Å²	58	53%	0.528	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	139.6	171.1	-165	-164.5	144.5	0	0	111.2	L199 Q207 K211	L199-E205 WeakPolarHBondContact O-CA 3.41Å; E205-Q207 PolarHBondContact OE1-NE2 3.1Å; E205-K211 WeakPolarHBondContact O-CE 3.24Å; E205-K211 PolarHBondContact O-NZ 2.96Å
206	V	87.7	Confident	89.4	Confident	5 Å²	5	57.5 Å²	57.5	3%	0.03	30%	0.295	C	S	.	.			trans	-134.7	121.2	-174.7	-159.2	0	0	0	0	112.2	I175 L199 I201 F204 D208 K211 A212 L215	I175-V206 HydrophobicContact CD1-CB 4.34Å; I175-V206 HydrophobicContact CD1-CG1 3.76Å; L199-V206 PolarHBondContact O-N 3.31Å; I201-V206 HydrophobicContact CB-CG2 3.99Å; I201-V206 HydrophobicContact CD1-CB 4.47Å; I201-V206 HydrophobicContact CD1-CG2 3.93Å; I201-V206 HydrophobicContact CG1-CG2 3.8Å; F204-V206 WeakPolarHBondContact O-CG2 3.49Å; V206-D208 WeakPolarHBondContact CG1-O 3.43Å; V206-K211 HydrophobicContact CG1-CB 3.94Å; V206-K211 HydrophobicContact CG1-CD 4.11Å; V206-K211 HydrophobicContact CG1-CG 3.99Å; V206-A212 HydrophobicContact CG1-CB 3.74Å; V206-L215 HydrophobicContact CG2-CD1 3.83Å
207	Q	83.8	Confident	89	Confident	99 Å²	99	60.8 Å²	60.8	46%	0.463	32%	0.318	S	S	.	.			trans	-116.8	-34	175.4	-57.2	179.1	10.3	0	0	110.7	T173 I175 E205	T173-Q207 VanDerWaalsContact O-O 3.12Å; I175-Q207 WeakPolarHBondContact CD1-O 3.31Å; I175-Q207 WeakPolarHBondContact CG1-O 3.26Å; E205-Q207 PolarHBondContact OE1-NE2 3.1Å
208	D	86.3	Confident	88.5	Confident	93 Å²	93	59.8 Å²	59.8	50%	0.497	32%	0.321	S	S	.	.			trans	-84.7	129	175.9	-42	-79.4	0	0	0	112.8	I175 V206 E210 K211 A212	I175-D208 WeakPolarHBondContact CD1-O 3.46Å; V206-D208 WeakPolarHBondContact CG1-O 3.43Å; D208-E210 PolarHBondContact O-N 2.93Å; D208-K211 HydrophobicContact CB-CB 4.08Å; D208-K211 WeakPolarHBondContact O-CB 3.34Å; D208-K211 PolarHBondContact O-N 3.36Å; D208-K211 VanDerWaalsContact O-N 3.09Å; D208-A212 PolarHBondContact O-N 2.68Å
209	R	85.8	Confident	87.3	Confident	88 Å²	88	65.8 Å²	65.8	33%	0.332	35%	0.349	S	S	.	.	H	α-helix	trans	-52	-40.8	172.1	179	-166.5	-171.6	85	8.4	112.2	L163 Y165 K211 A212 V213	L163-R209 PolarHBondContact O-NH1 3.33Å; L163-R209 PolarHBondContact O-NH2 2.97Å; Y165-R209 HydrophobicContact CE1-CB 4.32Å; Y165-R209 HydrophobicContact CE2-CB 3.86Å; Y165-R209 WeakPolarHBondContact OH-CB 3.35Å; Y165-R209 PolarHBondContact OH-N 3.42Å; R209-K211 VanDerWaalsContact C-N 3.32Å; R209-K211 PolarHBondContact O-N 3.28Å; R209-A212 PolarHBondContact O-N 3.21Å; R209-V213 HydrophobicContact CG-CG2 4.27Å; R209-V213 WeakPolarHBondContact O-CB 3.23Å; R209-V213 WeakPolarHBondContact O-CG2 3.23Å; R209-V213 PolarHBondContact O-N 3.17Å
210	E	86.9	Confident	86.1	Confident	131 Å²	131	72.3 Å²	72.3	61%	0.612	38%	0.378	S	S	*	.	H	α-helix	trans	-62.6	-41.5	-178.8	-70.2	61.2	-140.3	0	0	110.6	D208 A214	D208-E210 PolarHBondContact O-N 2.93Å; E210-A214 WeakPolarHBondContact O-CB 3.25Å; E210-A214 PolarHBondContact O-N 2.75Å
211	K	88.1	Confident	85	Confident	89 Å²	89	69.8 Å²	69.8	39%	0.387	37%	0.369	S	S	.	.	H	α-helix	trans	-68.2	-40.5	174.4	-173.1	-176.8	180	-169.6	0	111.3	E205 V206 D208 R209 A214 L215	E205-K211 WeakPolarHBondContact O-CE 3.24Å; E205-K211 PolarHBondContact O-NZ 2.96Å; V206-K211 HydrophobicContact CG1-CB 3.94Å; V206-K211 HydrophobicContact CG1-CD 4.11Å; V206-K211 HydrophobicContact CG1-CG 3.99Å; D208-K211 HydrophobicContact CB-CB 4.08Å; D208-K211 WeakPolarHBondContact O-CB 3.34Å; D208-K211 PolarHBondContact O-N 3.36Å; D208-K211 VanDerWaalsContact O-N 3.09Å; R209-K211 VanDerWaalsContact C-N 3.32Å; R209-K211 PolarHBondContact O-N 3.28Å; K211-A214 PolarHBondContact O-N 2.74Å; K211-L215 HydrophobicContact CG-CD1 4.12Å; K211-L215 WeakPolarHBondContact O-CG 3.39Å; K211-L215 PolarHBondContact O-N 3.38Å
212	A	89.4	Confident	84.5	Confident	0 Å²	0	78 Å²	78	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-62.1	-51.5	175.3	0	0	0	0	0	111.9	L163 I175 I201 V206 D208 R209 A214 L215 L216	L163-A212 HydrophobicContact CD1-CB 3.79Å; I175-A212 HydrophobicContact CD1-CB 3.65Å; I201-A212 HydrophobicContact CD1-CB 3.78Å; V206-A212 HydrophobicContact CG1-CB 3.74Å; D208-A212 PolarHBondContact O-N 2.68Å; R209-A212 PolarHBondContact O-N 3.21Å; A212-A214 VanDerWaalsContact C-N 3.29Å; A212-A214 PolarHBondContact O-N 2.83Å; A212-L215 PolarHBondContact O-N 3.46Å; A212-L216 WeakPolarHBondContact O-CB 3.39Å; A212-L216 WeakPolarHBondContact O-CG 3.48Å; A212-L216 PolarHBondContact O-N 2.81Å
213	V	88.3	Confident	84.4	Confident	65 Å²	65	78 Å²	78	39%	0.394	41%	0.409	S	S	.	.	H	α-helix	trans	-60.6	-39.9	179.5	172	0	0	0	0	110.7	L163 R209 S217	L163-V213 HydrophobicContact CD1-CG2 4.47Å; R209-V213 HydrophobicContact CG-CG2 4.27Å; R209-V213 WeakPolarHBondContact O-CB 3.23Å; R209-V213 WeakPolarHBondContact O-CG2 3.23Å; R209-V213 PolarHBondContact O-N 3.17Å; V213-S217 WeakPolarHBondContact O-CB 3.22Å; V213-S217 PolarHBondContact O-N 3.21Å; V213-S217 PolarHBondContact O-OG 2.84Å
214	A	88.6	Confident	84.6	Confident	64 Å²	64	75.8 Å²	75.8	53%	0.529	39%	0.385	S	S	.	.	H	α-helix	trans	-62.3	-45.6	175.1	0	0	0	0	0	113	E210 K211 A212 S217 S218	E210-A214 WeakPolarHBondContact O-CB 3.25Å; E210-A214 PolarHBondContact O-N 2.75Å; K211-A214 PolarHBondContact O-N 2.74Å; A212-A214 VanDerWaalsContact C-N 3.29Å; A212-A214 PolarHBondContact O-N 2.83Å; A214-S217 PolarHBondContact O-N 3.37Å; A214-S218 PolarHBondContact O-N 3.49Å
215	L	88.9	Confident	84.8	Confident	38 Å²	38	74.6 Å²	74.6	20%	0.199	38%	0.377	C	S	.	.	H	α-helix	trans	-69.3	-39.1	179.8	-69.4	168.8	0	0	0	112.5	I201 F204 V206 K211 A212	I201-L215 HydrophobicContact CB-CB 4.11Å; I201-L215 HydrophobicContact CB-CD1 4.09Å; I201-L215 HydrophobicContact CG2-CB 3.67Å; F204-L215 HydrophobicContact CB-CD1 4.17Å; F204-L215 HydrophobicContact CD2-CD2 4.32Å; V206-L215 HydrophobicContact CG2-CD1 3.83Å; K211-L215 HydrophobicContact CG-CD1 4.12Å; K211-L215 WeakPolarHBondContact O-CG 3.39Å; K211-L215 PolarHBondContact O-N 3.38Å; A212-L215 PolarHBondContact O-N 3.46Å
216	L	87.9	Confident	85	Confident	18 Å²	18	69.2 Å²	69.2	9%	0.094	35%	0.352	C	S	.	.	H	α-helix	trans	-71.6	-28.8	176.4	-66.9	172	0	0	0	113.4	L159 L163 I201 A212 I224 L226	L159-L216 HydrophobicContact CD1-CB 4.02Å; L159-L216 HydrophobicContact CD1-CD2 3.67Å; L159-L216 HydrophobicContact CD1-CG 4.4Å; L163-L216 HydrophobicContact CD1-CD1 3.78Å; L163-L216 HydrophobicContact CG-CD1 4.48Å; I201-L216 HydrophobicContact CD1-CD1 4.23Å; I201-L216 HydrophobicContact CD1-CD2 4.08Å; I201-L216 HydrophobicContact CD1-CG 3.86Å; I201-L216 HydrophobicContact CG2-CD2 4.15Å; A212-L216 WeakPolarHBondContact O-CB 3.39Å; A212-L216 WeakPolarHBondContact O-CG 3.48Å; A212-L216 PolarHBondContact O-N 2.81Å; L216-I224 HydrophobicContact CD2-CG2 4.1Å; L216-L226 HydrophobicContact CD2-CD2 3.78Å
217	S	84.4	Confident	85.3	Confident	75 Å²	75	70.9 Å²	70.9	52%	0.524	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	3	-178.2	-51.3	0	0	0	0	113.6	V213 A214 E219	V213-S217 WeakPolarHBondContact O-CB 3.22Å; V213-S217 PolarHBondContact O-N 3.21Å; V213-S217 PolarHBondContact O-OG 2.84Å; A214-S217 PolarHBondContact O-N 3.37Å; S217-E219 PolarHBondContact O-N 3.37Å
218	S	82.2	Confident	85.9	Confident	40 Å²	40	66.2 Å²	66.2	28%	0.28	34%	0.339	S	S	.	.			trans	-61.4	120.7	179.2	-177.8	0	0	0	0	111.3	R152 A214 E220	R152-S218 PolarHBondContact NH1-O 2.85Å; A214-S218 PolarHBondContact O-N 3.49Å; S218-E220 PolarHBondContact O-N 3.2Å; S218-E220 PolarHBondContact OG-N 3.12Å
219	E	68.1	Low	86.2	Confident	128 Å²	128	62 Å²	62	60%	0.598	32%	0.316	S	S	*	.	S	Bend	trans	-73.5	-15.5	175.2	-70.8	-165.1	-161.2	0	0	113.5	R155 S217	R155-E219 IonicContact NH1-OE2 3.19Å; R155-E219 PolarHBondContact NH1-OE2 3.4Å; S217-E219 PolarHBondContact O-N 3.37Å
220	E	66.1	Low	86.1	Confident	182 Å²	182	59.7 Å²	59.7	85%	0.85	31%	0.308	S	S	*	.	S	Bend	trans	-82.3	-25.8	-179.6	-58.6	-174.8	168.5	0	0	111.7	S218 K222	S218-E220 PolarHBondContact O-N 3.2Å; S218-E220 PolarHBondContact OG-N 3.12Å; E220-K222 PolarHBondContact O-N 2.82Å
221	A	71	Confident	85.2	Confident	18 Å²	18	54.8 Å²	54.8	15%	0.149	29%	0.287	C	S	.	.			trans	-81.7	99.9	179.6	0	0	0	0	0	111.5	I224	A221-I224 HydrophobicContact CB-CD1 4.15Å; A221-I224 HydrophobicContact CB-CG1 3.72Å
222	K	83.2	Confident	83.8	Confident	173 Å²	173	58 Å²	58	75%	0.752	30%	0.303	S	S	*	.	S	Bend	trans	-70.3	-35.3	170.9	-72.7	-173.7	178	-178.4	0	112.9	R152 E220	R152-K222 PolarHBondContact N-O 2.77Å; E220-K222 PolarHBondContact O-N 2.82Å
223	S	88.6	Confident	82.2	Confident	44 Å²	44	62.3 Å²	62.3	31%	0.308	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	147.2	167.9	67.3	0	0	0	0	109.7	E149 L150 C151	E149-S223 WeakPolarHBondContact OE1-CB 3.19Å; E149-S223 PolarHBondContact OE1-OG 3.34Å; L150-S223 CarbonylContact O-C 3.54Å; L150-S223 WeakPolarHBondContact O-CA 3.44Å; C151-S223 VanDerWaalsContact SG-CB 3.6Å
224	I	92.1	Very high	80	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	113.8	-177.4	-68.4	173.8	0	0	0	107.5	L150 L159 I201 N202 L216 A221 L226	L150-I224 PolarHBondContact N-O 3.33Å; L150-I224 PolarHBondContact O-N 2.8Å; L159-I224 HydrophobicContact CD1-CD1 3.83Å; L159-I224 HydrophobicContact CD2-CD1 4.3Å; I201-I224 HydrophobicContact CG2-CG2 4Å; N202-I224 VanDerWaalsContact OD1-CA 3.31Å; N202-I224 WeakPolarHBondContact OD1-CA 3.32Å; L216-I224 HydrophobicContact CD2-CG2 4.1Å; A221-I224 HydrophobicContact CB-CD1 4.15Å; A221-I224 HydrophobicContact CB-CG1 3.72Å; I224-L226 HydrophobicContact CG2-CD2 3.94Å; I224-L226 HydrophobicContact CG2-CG 4.28Å
225	R	93.3	Very high	77.9	Confident	103 Å²	103	67.9 Å²	67.9	39%	0.389	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	129.6	179.2	-65.9	-172.6	-64.6	123.5	-3.6	110.2	E147 V148 E149 I201 N202	E147-R225 WeakPolarHBondContact OE1-CD 3.23Å; E147-R225 IonicContact OE1-CZ 3.64Å; E147-R225 IonicContact OE1-NE 2.62Å; E147-R225 IonicContact OE1-NH1 3.17Å; E147-R225 PolarHBondContact OE1-NH1 3.1Å; V148-R225 CarbonylContact O-C 3.57Å; V148-R225 WeakPolarHBondContact O-CA 3.27Å; E149-R225 HydrophobicContact CB-CG 3.88Å; E149-R225 HydrophobicContact CG-CG 3.72Å; I201-R225 CarbonylContact C-O 3.59Å; I201-R225 WeakPolarHBondContact CA-O 3.38Å; N202-R225 PolarHBondContact N-O 2.83Å; N202-R225 PolarHBondContact OD1-N 3.23Å
226	L	94.9	Very high	75.7	Confident	1 Å²	1	74 Å²	74	1%	0.005	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	121.4	-176.7	-59.3	176.1	0	0	0	108.4	E147 V148 L150 L161 I192 Q200 I201 L216 I224 V228	E147-L226 WeakPolarHBondContact CA-O 3.33Å; V148-L226 PolarHBondContact N-O 3.3Å; V148-L226 PolarHBondContact O-N 3.19Å; L150-L226 HydrophobicContact CD1-CD1 3.72Å; L150-L226 HydrophobicContact CG-CD1 4.26Å; L161-L226 HydrophobicContact CD1-CD1 3.71Å; I192-L226 HydrophobicContact CD1-CD1 3.59Å; Q200-L226 WeakPolarHBondContact O-CA 3.08Å; I201-L226 HydrophobicContact CB-CD2 4.13Å; I201-L226 HydrophobicContact CD1-CD2 4.44Å; I201-L226 HydrophobicContact CG1-CD2 3.68Å; I201-L226 HydrophobicContact CG2-CD2 3.83Å; L216-L226 HydrophobicContact CD2-CD2 3.78Å; I224-L226 HydrophobicContact CG2-CD2 3.94Å; I224-L226 HydrophobicContact CG2-CG 4.28Å; L226-V228 HydrophobicContact CB-CG1 4.49Å
227	L	94.5	Very high	73.8	Confident	40 Å²	40	79.3 Å²	79.3	21%	0.209	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	112.8	165.1	-175.5	66.4	0	0	0	107.3	Y145 L199 Q200	Y145-L227 HydrophobicContact CD1-CD1 4.44Å; Y145-L227 HydrophobicContact CD1-CD2 4.47Å; L199-L227 HydrophobicContact CB-CD2 4.38Å; L199-L227 HydrophobicContact CB-CG 4.48Å; L199-L227 HydrophobicContact CD1-CD2 4.48Å; L199-L227 PolarHBondContact N-O 2.8Å; Q200-L227 HydrophobicContact CB-CB 3.87Å; Q200-L227 HydrophobicContact CG-CB 4.2Å; Q200-L227 HydrophobicContact CG-CD2 4.03Å; Q200-L227 PolarHBondContact N-O 3.45Å; Q200-L227 PolarHBondContact O-N 3.31Å
228	V	94.4	Very high	71.8	Confident	1 Å²	1	81.9 Å²	81.9	1%	0.006	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	152.7	174.8	-62.9	0	0	0	0	111	Y145 E146 D196 R197 I198 L226	Y145-V228 WeakPolarHBondContact CA-O 3.5Å; E146-V228 HydrophobicContact CB-CG2 4.07Å; E146-V228 PolarHBondContact N-O 2.92Å; E146-V228 WeakPolarHBondContact O-CG2 3.49Å; E146-V228 PolarHBondContact O-N 3.37Å; D196-V228 HydrophobicContact CB-CB 4.24Å; D196-V228 HydrophobicContact CB-CG1 4.4Å; R197-V228 CarbonylContact O-C 3.59Å; R197-V228 WeakPolarHBondContact O-CA 3.44Å; I198-V228 HydrophobicContact CG1-CG1 4.25Å; L226-V228 HydrophobicContact CB-CG1 4.49Å
229	T	92.8	Very high	70.1	Confident	3 Å²	3	82.9 Å²	82.9	2%	0.018	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	143.7	160.5	50	0	0	0	0	111	Y143 E144 Y145 R197 L199 P231	Y143-T229 HydrophobicContact CG-CG2 4.44Å; E144-T229 WeakPolarHBondContact O-CA 3.43Å; Y145-T229 HydrophobicContact CD1-CG2 3.22Å; Y145-T229 HydrophobicContact CD2-CG2 4.41Å; Y145-T229 HydrophobicContact CE1-CG2 3.35Å; Y145-T229 HydrophobicContact CE2-CG2 4.5Å; Y145-T229 HydrophobicContact CG-CG2 3.79Å; R197-T229 PolarHBondContact N-O 3.22Å; R197-T229 PolarHBondContact O-N 3.31Å; L199-T229 HydrophobicContact CD1-CG2 3.61Å; L199-T229 HydrophobicContact CG-CG2 4.36Å; T229-P231 VanDerWaalsContact O-CD 3.22Å; T229-P231 WeakPolarHBondContact O-CD 3.32Å
230	R	85.5	Confident	69.2	Low	41 Å²	41	81.8 Å²	81.8	16%	0.155	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	106.3	168.8	-57.3	-154.5	175.9	92.7	10.2	109.5	E144 E146 R191 K193 D196	E144-R230 HydrophobicContact CB-CB 4.45Å; E144-R230 VanDerWaalsContact CD-NH1 3.28Å; E144-R230 PolarHBondContact O-N 3.41Å; E144-R230 VanDerWaalsContact O-N 3.17Å; E144-R230 IonicContact OE1-NH1 3.3Å; E144-R230 VanDerWaalsContact OE2-CD 3.29Å; E144-R230 WeakPolarHBondContact OE2-CD 3.36Å; E144-R230 IonicContact OE2-CZ 2.74Å; E144-R230 IonicContact OE2-NE 2.63Å; E144-R230 IonicContact OE2-NH1 3.84Å; E144-R230 PolarHBondContact OE2-NH1 3.19Å; E146-R230 IonicContact OE2-CZ 3.44Å; E146-R230 IonicContact OE2-NH1 2.74Å; E146-R230 PolarHBondContact OE2-NH1 3.1Å; E146-R230 IonicContact OE2-NH2 3.9Å; E146-R230 PolarHBondContact OE2-NH2 2.96Å; R191-R230 PolarHBondContact O-NH2 3.08Å; K193-R230 VanDerWaalsContact NZ-CZ 3.33Å; D196-R230 IonicContact OD1-NE 3.59Å
231	P	67	Low	68.2	Low	27 Å²	27	81.8 Å²	81.8	18%	0.175	40%	0.4	C	S	.	.			trans	-73	133.8	169.3	33.7	-36.6	0	0	0	109	Y176 T229 I233	Y176-P231 HydrophobicContact CE1-CG 4.2Å; T229-P231 VanDerWaalsContact O-CD 3.22Å; T229-P231 WeakPolarHBondContact O-CD 3.32Å; P231-I233 HydrophobicContact CB-CD1 3.81Å; P231-I233 HydrophobicContact CB-CG1 4.06Å; P231-I233 HydrophobicContact CG-CD1 4.09Å; P231-I233 PolarHBondContact O-N 3.41Å
232	E	57.9	Low	67	Low	156 Å²	156	86 Å²	86	73%	0.729	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	18.6	-169.9	-151.2	174.2	-176.3	0	0	115	Q234 L235	E232-Q234 PolarHBondContact O-N 2.91Å; E232-Q234 VanDerWaalsContact O-N 3.1Å; E232-L235 HydrophobicContact CG-CD1 3.95Å; E232-L235 HydrophobicContact CG-CG 4.41Å; E232-L235 PolarHBondContact O-N 3.43Å; E232-L235 WeakPolarHBondContact OE1-CD1 3.42Å
233	I	55.8	Low	65.7	Low	91 Å²	91	82.3 Å²	82.3	47%	0.467	41%	0.408	S	S	.	.	H	α-helix	trans	-63.4	-21.4	-170.8	-61	168.5	0	0	0	112.6	P231	P231-I233 HydrophobicContact CB-CD1 3.81Å; P231-I233 HydrophobicContact CB-CG1 4.06Å; P231-I233 HydrophobicContact CG-CD1 4.09Å; P231-I233 PolarHBondContact O-N 3.41Å
234	Q	42.8	Very low	64.2	Low	131 Å²	131	84.2 Å²	84.2	61%	0.612	41%	0.414	S	S	*	.	H	α-helix	trans	-74.8	-23.6	-179.2	-70.2	177.7	-2.8	0	0	113.6	E194 E232 E238	E194-Q234 PolarHBondContact O-NE2 3.26Å; E232-Q234 PolarHBondContact O-N 2.91Å; E232-Q234 VanDerWaalsContact O-N 3.1Å; Q234-E238 PolarHBondContact O-N 2.82Å
235	L	43.6	Very low	62.8	Low	115 Å²	115	90.2 Å²	90.2	60%	0.602	44%	0.442	S	S	*	.	H	α-helix	trans	-77.6	-32.3	-179.7	-68.8	-176.9	0	0	0	113.7	E232 A239	E232-L235 HydrophobicContact CG-CD1 3.95Å; E232-L235 HydrophobicContact CG-CG 4.41Å; E232-L235 PolarHBondContact O-N 3.43Å; E232-L235 WeakPolarHBondContact OE1-CD1 3.42Å; L235-A239 WeakPolarHBondContact O-CB 3.25Å; L235-A239 PolarHBondContact O-N 3.39Å
236	E	43.4	Very low	61.1	Low	166 Å²	166	91.6 Å²	91.6	78%	0.776	45%	0.453	S	S	*	.	H	α-helix	trans	-80	-31.5	-178.2	-71.2	-155.8	140.8	0	0	114.1	V240	E236-V240 VanDerWaalsContact O-CG2 3.25Å; E236-V240 WeakPolarHBondContact O-CG2 3.29Å
237	E	47.9	Very low	59.4	Low	130 Å²	130	96.1 Å²	96.1	61%	0.607	47%	0.474	S	S	*	.	H	α-helix	trans	-79.9	-47.7	174.5	-73.2	-146	127.3	0	0	112.4	A239 V240 W241	E237-A239 PolarHBondContact O-N 3.41Å; E237-V240 PolarHBondContact O-N 3.05Å; E237-V240 VanDerWaalsContact O-N 3.12Å; E237-W241 PolarHBondContact O-N 3.49Å
238	E	43.1	Very low	58.2	Low	130 Å²	130	101 Å²	101	61%	0.607	49%	0.49	S	S	*	.	H	α-helix	trans	-68.3	-35.8	-173	-166.6	163.9	-139.5	0	0	112.6	Q234 V240 W241 L242	Q234-E238 PolarHBondContact O-N 2.82Å; E238-V240 PolarHBondContact O-N 3.46Å; E238-W241 PolarHBondContact O-N 2.82Å; E238-L242 HydrophobicContact CG-CD1 3.98Å; E238-L242 HydrophobicContact CG-CG 4.29Å; E238-L242 WeakPolarHBondContact O-CG 3.24Å; E238-L242 PolarHBondContact O-N 3.22Å
239	A	46.3	Very low	57.1	Low	60 Å²	60	106 Å²	106	50%	0.496	52%	0.516	S	S	.	.	H	α-helix	trans	-60.4	-32.2	172.8	0	0	0	0	0	113.1	L235 E237 D243	L235-A239 WeakPolarHBondContact O-CB 3.25Å; L235-A239 PolarHBondContact O-N 3.39Å; E237-A239 PolarHBondContact O-N 3.41Å; A239-D243 PolarHBondContact O-N 3.06Å
240	V	49.6	Very low	56.1	Low	105 Å²	105	109.5 Å²	109.5	64%	0.636	54%	0.537	S	S	*	.	H	α-helix	trans	-76.9	-28.1	178.8	170.9	0	0	0	0	112.2	E236 E237 E238	E236-V240 VanDerWaalsContact O-CG2 3.25Å; E236-V240 WeakPolarHBondContact O-CG2 3.29Å; E237-V240 PolarHBondContact O-N 3.05Å; E237-V240 VanDerWaalsContact O-N 3.12Å; E238-V240 PolarHBondContact O-N 3.46Å
241	W	44.2	Very low	55.4	Low	183 Å²	183	113 Å²	113	69%	0.693	56%	0.555	S	S	*	*	H	α-helix	trans	-80.3	-37.4	173.8	-69.2	103.7	0	0	0	112.6	E237 E238 D244 E245	E237-W241 PolarHBondContact O-N 3.49Å; E238-W241 PolarHBondContact O-N 2.82Å; W241-D244 PolarHBondContact O-N 3.48Å; W241-E245 PolarHBondContact O-N 3.27Å
242	L	47	Very low	56	Low	107 Å²	107	118.2 Å²	118.2	56%	0.56	58%	0.577	S	S	*	*	H	α-helix	trans	-69.4	-40.2	-178.6	-71.4	171.7	0	0	0	113.1	E238 D244 Q246	E238-L242 HydrophobicContact CG-CD1 3.98Å; E238-L242 HydrophobicContact CG-CG 4.29Å; E238-L242 WeakPolarHBondContact O-CG 3.24Å; E238-L242 PolarHBondContact O-N 3.22Å; L242-D244 VanDerWaalsContact C-N 3.3Å; L242-D244 PolarHBondContact O-N 2.99Å; L242-Q246 VanDerWaalsContact O-CB 3.32Å; L242-Q246 WeakPolarHBondContact O-CB 3.18Å; L242-Q246 PolarHBondContact O-N 3.49Å
243	D	55.6	Low	56.7	Low	95 Å²	95	115.6 Å²	115.6	51%	0.508	57%	0.568	S	S	.	*	H	α-helix	trans	-62.2	-39.8	176.8	-165	50	0	0	0	111	A239 E245 Q246 Q247	A239-D243 PolarHBondContact O-N 3.06Å; D243-E245 PolarHBondContact O-N 2.94Å; D243-Q246 PolarHBondContact O-N 3.46Å; D243-Q247 VanDerWaalsContact O-CB 3.23Å; D243-Q247 WeakPolarHBondContact O-CB 3.39Å; D243-Q247 PolarHBondContact O-N 3.26Å
244	D	56.5	Low	57.6	Low	83 Å²	83	117.3 Å²	117.3	44%	0.444	57%	0.572	S	S	.	*	H	α-helix	trans	-71.6	-26.5	-174.6	-150.6	59.8	0	0	0	113.7	W241 L242 R248	W241-D244 PolarHBondContact O-N 3.48Å; L242-D244 VanDerWaalsContact C-N 3.3Å; L242-D244 PolarHBondContact O-N 2.99Å; D244-R248 WeakPolarHBondContact O-CD 3.48Å; D244-R248 VanDerWaalsContact O-CG 3.27Å; D244-R248 WeakPolarHBondContact O-CG 3.22Å; D244-R248 PolarHBondContact O-NE 2.63Å; D244-R248 IonicContact OD2-CZ 2.85Å; D244-R248 IonicContact OD2-NE 2.75Å; D244-R248 IonicContact OD2-NH2 3.25Å; D244-R248 PolarHBondContact OD2-NH2 2.95Å
245	E	62	Low	58.9	Low	126 Å²	126	117 Å²	117	59%	0.589	57%	0.572	S	S	*	*	H	α-helix	trans	-86	-39.8	171	-175.5	158.6	-139	0	0	112.2	W241 D243 Q247 R248 L249	W241-E245 PolarHBondContact O-N 3.27Å; D243-E245 PolarHBondContact O-N 2.94Å; E245-Q247 VanDerWaalsContact C-N 3.31Å; E245-Q247 PolarHBondContact O-N 3.4Å; E245-R248 PolarHBondContact O-N 2.94Å; E245-L249 PolarHBondContact O-N 3.21Å; E245-L249 VanDerWaalsContact O-N 3.08Å
246	Q	58.3	Low	60.6	Low	132 Å²	132	115.9 Å²	115.9	62%	0.617	56%	0.564	S	S	*	*	H	α-helix	trans	-62.6	-38.1	175.3	-171.7	168.9	-60.8	0	0	111.7	L242 D243 R248 L249 V250	L242-Q246 VanDerWaalsContact O-CB 3.32Å; L242-Q246 WeakPolarHBondContact O-CB 3.18Å; L242-Q246 PolarHBondContact O-N 3.49Å; D243-Q246 PolarHBondContact O-N 3.46Å; Q246-R248 PolarHBondContact O-N 2.83Å; Q246-L249 PolarHBondContact O-N 3.42Å; Q246-V250 WeakPolarHBondContact O-CG2 3.41Å; Q246-V250 PolarHBondContact O-N 2.86Å
247	Q	60.1	Low	62.4	Low	96 Å²	96	112.8 Å²	112.8	45%	0.449	55%	0.551	S	S	.	*	H	α-helix	trans	-60.7	-43.5	174.5	-155.8	80.4	-94.8	0	0	111.4	D243 E245 V250 E251	D243-Q247 VanDerWaalsContact O-CB 3.23Å; D243-Q247 WeakPolarHBondContact O-CB 3.39Å; D243-Q247 PolarHBondContact O-N 3.26Å; E245-Q247 VanDerWaalsContact C-N 3.31Å; E245-Q247 PolarHBondContact O-N 3.4Å; Q247-V250 PolarHBondContact O-N 2.96Å; Q247-E251 WeakPolarHBondContact O-CG 3.45Å; Q247-E251 PolarHBondContact O-N 3.19Å
248	R	69.6	Low	63.6	Low	144 Å²	144	111.3 Å²	111.3	54%	0.543	55%	0.547	S	S	.	.	H	α-helix	trans	-64.2	-42.9	178.2	-67.4	169.4	-154.7	168.2	6.1	112	D244 E245 Q246 V250 E251 E252	D244-R248 WeakPolarHBondContact O-CD 3.48Å; D244-R248 VanDerWaalsContact O-CG 3.27Å; D244-R248 WeakPolarHBondContact O-CG 3.22Å; D244-R248 PolarHBondContact O-NE 2.63Å; D244-R248 IonicContact OD2-CZ 2.85Å; D244-R248 IonicContact OD2-NE 2.75Å; D244-R248 IonicContact OD2-NH2 3.25Å; D244-R248 PolarHBondContact OD2-NH2 2.95Å; E245-R248 PolarHBondContact O-N 2.94Å; Q246-R248 PolarHBondContact O-N 2.83Å; R248-V250 VanDerWaalsContact C-N 3.31Å; R248-V250 PolarHBondContact O-N 2.97Å; R248-E251 PolarHBondContact O-N 3.02Å; R248-E252 WeakPolarHBondContact O-CB 3.41Å; R248-E252 PolarHBondContact O-N 2.82Å
249	L	69.6	Low	65.1	Low	104 Å²	104	111.8 Å²	111.8	55%	0.545	55%	0.549	S	S	.	.	H	α-helix	trans	-63.2	-37.9	175.4	-72	168.5	0	0	0	111.9	E245 Q246 L253	E245-L249 PolarHBondContact O-N 3.21Å; E245-L249 VanDerWaalsContact O-N 3.08Å; Q246-L249 PolarHBondContact O-N 3.42Å; L249-L253 VanDerWaalsContact O-CB 3.31Å; L249-L253 WeakPolarHBondContact O-CB 3.45Å; L249-L253 PolarHBondContact O-N 2.84Å
250	V	72.4	Confident	66.4	Low	78 Å²	78	112.5 Å²	112.5	47%	0.473	54%	0.542	S	S	.	.	H	α-helix	trans	-67.2	-38.5	173.7	168.8	0	0	0	0	111.6	Q246 Q247 R248 K254	Q246-V250 WeakPolarHBondContact O-CG2 3.41Å; Q246-V250 PolarHBondContact O-N 2.86Å; Q247-V250 PolarHBondContact O-N 2.96Å; R248-V250 VanDerWaalsContact C-N 3.31Å; R248-V250 PolarHBondContact O-N 2.97Å; V250-K254 WeakPolarHBondContact O-CB 3.12Å; V250-K254 PolarHBondContact O-N 3.11Å
251	E	70.1	Confident	67.3	Low	113 Å²	113	113.2 Å²	113.2	53%	0.528	54%	0.537	S	S	.	.	H	α-helix	trans	-69.1	-40.6	174.8	-71.9	-162.6	144.3	0	0	113	Q247 R248 K254 M255	Q247-E251 WeakPolarHBondContact O-CG 3.45Å; Q247-E251 PolarHBondContact O-N 3.19Å; R248-E251 PolarHBondContact O-N 3.02Å; E251-K254 WeakPolarHBondContact O-CB 3.48Å; E251-K254 PolarHBondContact O-N 3.36Å; E251-M255 WeakPolarHBondContact O-CG 3.38Å; E251-M255 PolarHBondContact O-N 3.37Å
252	E	79.3	Confident	68.4	Low	137 Å²	137	111.8 Å²	111.8	64%	0.64	53%	0.531	S	S	*	.	H	α-helix	trans	-63.8	-49	176.3	-175.4	166.5	-149.5	0	0	111.3	R248 K254 M255 E256	R248-E252 WeakPolarHBondContact O-CB 3.41Å; R248-E252 PolarHBondContact O-N 2.82Å; E252-K254 VanDerWaalsContact C-N 3.29Å; E252-K254 PolarHBondContact O-N 3Å; E252-M255 WeakPolarHBondContact O-CB 3.26Å; E252-M255 PolarHBondContact O-N 2.92Å; E252-M255 VanDerWaalsContact O-N 3.07Å; E252-E256 PolarHBondContact O-N 2.96Å
253	L	74.6	Confident	69.6	Low	101 Å²	101	111.4 Å²	111.4	53%	0.529	53%	0.525	S	S	.	.	H	α-helix	trans	-59.9	-39.7	175.6	-167.1	80.5	0	0	0	111.8	L249 M255 E256 I257	L249-L253 VanDerWaalsContact O-CB 3.31Å; L249-L253 WeakPolarHBondContact O-CB 3.45Å; L249-L253 PolarHBondContact O-N 2.84Å; L253-M255 VanDerWaalsContact C-N 3.31Å; L253-M255 PolarHBondContact O-N 2.98Å; L253-E256 PolarHBondContact O-N 3.07Å; L253-I257 HydrophobicContact CD2-CD1 4.34Å; L253-I257 HydrophobicContact CG-CD1 4.06Å; L253-I257 WeakPolarHBondContact O-CB 3.46Å; L253-I257 WeakPolarHBondContact O-CD1 3.38Å; L253-I257 WeakPolarHBondContact O-CG1 3.41Å; L253-I257 PolarHBondContact O-N 3.35Å
254	K	74.2	Confident	70	Confident	127 Å²	127	111.6 Å²	111.6	55%	0.552	52%	0.523	S	S	*	.	H	α-helix	trans	-65.2	-33.4	176.1	175.7	-178.5	176	-169.8	0	112	V250 E251 E252 L258	V250-K254 WeakPolarHBondContact O-CB 3.12Å; V250-K254 PolarHBondContact O-N 3.11Å; E251-K254 WeakPolarHBondContact O-CB 3.48Å; E251-K254 PolarHBondContact O-N 3.36Å; E252-K254 VanDerWaalsContact C-N 3.29Å; E252-K254 PolarHBondContact O-N 3Å; K254-L258 WeakPolarHBondContact O-CD1 3.44Å; K254-L258 VanDerWaalsContact O-CG 3.25Å; K254-L258 WeakPolarHBondContact O-CG 3.46Å; K254-L258 PolarHBondContact O-N 3.47Å
255	M	69.1	Low	70.2	Confident	126 Å²	126	115.8 Å²	115.8	62%	0.621	53%	0.533	S	S	*	.	H	α-helix	trans	-72.3	-45.1	172.7	-73.3	-60.4	-60.9	0	0	112.3	E251 E252 L253 I257 L258 E259	E251-M255 WeakPolarHBondContact O-CG 3.38Å; E251-M255 PolarHBondContact O-N 3.37Å; E252-M255 WeakPolarHBondContact O-CB 3.26Å; E252-M255 PolarHBondContact O-N 2.92Å; E252-M255 VanDerWaalsContact O-N 3.07Å; L253-M255 VanDerWaalsContact C-N 3.31Å; L253-M255 PolarHBondContact O-N 2.98Å; M255-I257 VanDerWaalsContact C-N 3.33Å; M255-I257 PolarHBondContact O-N 2.87Å; M255-L258 PolarHBondContact O-N 2.99Å; M255-L258 VanDerWaalsContact O-N 3.09Å; M255-L258 HydrophobicContact SD-CD1 4.48Å; M255-E259 PolarHBondContact O-N 3.49Å
256	E	79.6	Confident	70.3	Confident	91 Å²	91	114 Å²	114	43%	0.425	52%	0.524	S	S	.	.	H	α-helix	trans	-60.4	-42.6	176.5	-168	-177	-156.8	0	0	111.2	E252 L253 L258 E259 E260 R325	E252-E256 PolarHBondContact O-N 2.96Å; L253-E256 PolarHBondContact O-N 3.07Å; E256-L258 VanDerWaalsContact C-N 3.28Å; E256-L258 PolarHBondContact O-N 2.8Å; E256-E259 PolarHBondContact O-N 2.92Å; E256-E260 WeakPolarHBondContact O-CB 3.36Å; E256-E260 PolarHBondContact O-N 3.39Å; E256-R325 IonicContact OE1-NH1 2.71Å; E256-R325 PolarHBondContact OE1-NH1 3.47Å
257	I	81.1	Confident	70.2	Confident	101 Å²	101	112.6 Å²	112.6	52%	0.518	52%	0.518	S	S	.	.	H	α-helix	trans	-60.7	-35.9	175.4	-71.1	165.9	0	0	0	111.9	L253 M255 K261	L253-I257 HydrophobicContact CD2-CD1 4.34Å; L253-I257 HydrophobicContact CG-CD1 4.06Å; L253-I257 WeakPolarHBondContact O-CB 3.46Å; L253-I257 WeakPolarHBondContact O-CD1 3.38Å; L253-I257 WeakPolarHBondContact O-CG1 3.41Å; L253-I257 PolarHBondContact O-N 3.35Å; M255-I257 VanDerWaalsContact C-N 3.33Å; M255-I257 PolarHBondContact O-N 2.87Å; I257-K261 WeakPolarHBondContact O-CB 3.44Å; I257-K261 PolarHBondContact O-N 3.46Å; I257-K261 VanDerWaalsContact O-N 3.16Å
258	L	74	Confident	69.9	Low	99 Å²	99	111.5 Å²	111.5	52%	0.518	52%	0.521	S	S	.	.	H	α-helix	trans	-74.7	-37.6	177.4	-74.8	169.4	0	0	0	112.3	K254 M255 E256 R262	K254-L258 WeakPolarHBondContact O-CD1 3.44Å; K254-L258 VanDerWaalsContact O-CG 3.25Å; K254-L258 WeakPolarHBondContact O-CG 3.46Å; K254-L258 PolarHBondContact O-N 3.47Å; M255-L258 PolarHBondContact O-N 2.99Å; M255-L258 VanDerWaalsContact O-N 3.09Å; M255-L258 HydrophobicContact SD-CD1 4.48Å; E256-L258 VanDerWaalsContact C-N 3.28Å; E256-L258 PolarHBondContact O-N 2.8Å; L258-R262 WeakPolarHBondContact O-CB 3.22Å; L258-R262 PolarHBondContact O-N 2.93Å
259	E	74.8	Confident	69.1	Low	140 Å²	140	112.2 Å²	112.2	65%	0.654	53%	0.528	S	S	*	.	H	α-helix	trans	-70.9	-45.2	178.2	-174.4	160	-138.8	0	0	112.2	M255 E256 K261 R262 K263	M255-E259 PolarHBondContact O-N 3.49Å; E256-E259 PolarHBondContact O-N 2.92Å; E259-K261 VanDerWaalsContact C-N 3.31Å; E259-K261 PolarHBondContact O-N 3Å; E259-R262 WeakPolarHBondContact O-CB 3.41Å; E259-R262 PolarHBondContact O-N 2.62Å; E259-R262 VanDerWaalsContact O-N 3.1Å; E259-K263 WeakPolarHBondContact O-CB 3.46Å; E259-K263 PolarHBondContact O-N 3.33Å
260	E	72	Confident	68.4	Low	74 Å²	74	113.1 Å²	113.1	35%	0.346	53%	0.529	S	S	.	.	H	α-helix	trans	-64.8	-36.1	174.7	179.5	53.7	-145.5	0	0	111.2	E256 R262 K263 Q264	E256-E260 WeakPolarHBondContact O-CB 3.36Å; E256-E260 PolarHBondContact O-N 3.39Å; E260-R262 VanDerWaalsContact C-N 3.32Å; E260-R262 PolarHBondContact O-N 2.94Å; E260-K263 PolarHBondContact O-N 3.11Å; E260-K263 IonicContact OE2-NZ 2.92Å; E260-K263 PolarHBondContact OE2-NZ 3.2Å; E260-K263 VanDerWaalsContact OE2-NZ 3.14Å; E260-Q264 WeakPolarHBondContact O-CB 3.41Å; E260-Q264 VanDerWaalsContact O-CG 3.31Å; E260-Q264 WeakPolarHBondContact O-CG 3.22Å; E260-Q264 PolarHBondContact O-N 3.27Å; E260-Q264 PolarHBondContact OE1-NE2 3.47Å
261	K	69	Low	67.6	Low	121 Å²	121	116.2 Å²	116.2	53%	0.526	54%	0.54	S	S	.	.	H	α-helix	trans	-69.2	-26.4	172.9	-171.4	171	-172.5	171.6	0	113.5	I257 E259 R265	I257-K261 WeakPolarHBondContact O-CB 3.44Å; I257-K261 PolarHBondContact O-N 3.46Å; I257-K261 VanDerWaalsContact O-N 3.16Å; E259-K261 VanDerWaalsContact C-N 3.31Å; E259-K261 PolarHBondContact O-N 3Å; K261-R265 WeakPolarHBondContact O-CG 3.25Å
262	R	66.9	Low	66.9	Low	152 Å²	152	113.3 Å²	113.3	57%	0.574	54%	0.536	S	S	*	.	H	α-helix	trans	-72.2	-49.7	170.2	173.5	-175.5	169.9	-179.1	-4.3	110.5	L258 E259 E260 Q264 R265 E266	L258-R262 WeakPolarHBondContact O-CB 3.22Å; L258-R262 PolarHBondContact O-N 2.93Å; E259-R262 WeakPolarHBondContact O-CB 3.41Å; E259-R262 PolarHBondContact O-N 2.62Å; E259-R262 VanDerWaalsContact O-N 3.1Å; E260-R262 VanDerWaalsContact C-N 3.32Å; E260-R262 PolarHBondContact O-N 2.94Å; R262-Q264 VanDerWaalsContact C-N 3.29Å; R262-Q264 PolarHBondContact O-N 3.27Å; R262-R265 WeakPolarHBondContact O-CA 3.46Å; R262-R265 VanDerWaalsContact O-CB 3.31Å; R262-R265 WeakPolarHBondContact O-CB 3.5Å; R262-R265 PolarHBondContact O-N 3.22Å; R262-E266 IonicContact CZ-OE1 3.25Å; R262-E266 VanDerWaalsContact CZ-OE1 3.25Å; R262-E266 IonicContact NE-OE1 2.7Å; R262-E266 PolarHBondContact NE-OE1 2.93Å; R262-E266 IonicContact NE-OE2 3.37Å; R262-E266 IonicContact NH2-OE1 2.71Å; R262-E266 PolarHBondContact NH2-OE1 3.28Å; R262-E266 PolarHBondContact O-N 3.32Å
263	K	73.4	Confident	65.6	Low	100 Å²	100	112.4 Å²	112.4	44%	0.435	54%	0.536	S	S	.	.	H	α-helix	trans	-58.4	-38.2	178.3	-175.6	176.5	164.3	-154.6	0	112.8	E259 E260 R265 E266 Q267	E259-K263 WeakPolarHBondContact O-CB 3.46Å; E259-K263 PolarHBondContact O-N 3.33Å; E260-K263 PolarHBondContact O-N 3.11Å; E260-K263 IonicContact OE2-NZ 2.92Å; E260-K263 PolarHBondContact OE2-NZ 3.2Å; E260-K263 VanDerWaalsContact OE2-NZ 3.14Å; K263-R265 VanDerWaalsContact C-N 3.32Å; K263-R265 PolarHBondContact O-N 2.97Å; K263-E266 PolarHBondContact O-N 3.34Å; K263-Q267 WeakPolarHBondContact O-CB 3.48Å; K263-Q267 WeakPolarHBondContact O-CG 3.39Å; K263-Q267 PolarHBondContact O-N 2.86Å
264	Q	64.1	Low	64.5	Low	98 Å²	98	115.7 Å²	115.7	46%	0.458	55%	0.546	S	S	.	.	H	α-helix	trans	-65.3	-30.8	172	-73.9	173.3	23.4	0	0	113.4	E260 R262 S268	E260-Q264 WeakPolarHBondContact O-CB 3.41Å; E260-Q264 VanDerWaalsContact O-CG 3.31Å; E260-Q264 WeakPolarHBondContact O-CG 3.22Å; E260-Q264 PolarHBondContact O-N 3.27Å; E260-Q264 PolarHBondContact OE1-NE2 3.47Å; R262-Q264 VanDerWaalsContact C-N 3.29Å; R262-Q264 PolarHBondContact O-N 3.27Å; Q264-S268 WeakPolarHBondContact O-CB 3.15Å; Q264-S268 PolarHBondContact O-N 3.31Å; Q264-S268 PolarHBondContact O-OG 3.04Å
265	R	60.2	Low	63.5	Low	171 Å²	171	116.7 Å²	116.7	65%	0.645	56%	0.556	S	S	*	*	H	α-helix	trans	-71.3	-46	171.6	-70.3	171.3	175.6	171.8	-2.7	111.2	K261 R262 K263 Q267 S268 F269	K261-R265 WeakPolarHBondContact O-CG 3.25Å; R262-R265 WeakPolarHBondContact O-CA 3.46Å; R262-R265 VanDerWaalsContact O-CB 3.31Å; R262-R265 WeakPolarHBondContact O-CB 3.5Å; R262-R265 PolarHBondContact O-N 3.22Å; K263-R265 VanDerWaalsContact C-N 3.32Å; K263-R265 PolarHBondContact O-N 2.97Å; R265-Q267 PolarHBondContact O-N 2.86Å; R265-S268 WeakPolarHBondContact CA-OG 3.43Å; R265-S268 PolarHBondContact O-N 3Å; R265-S268 VanDerWaalsContact O-N 3.11Å; R265-S268 PolarHBondContact O-OG 2.94Å; R265-F269 PolarHBondContact O-N 2.96Å
266	E	64.3	Low	62.6	Low	89 Å²	89	117.7 Å²	117.7	42%	0.416	56%	0.559	S	S	.	*	H	α-helix	trans	-59	-46.9	178.5	-69.7	167.3	164.1	0	0	110.3	R262 K263 S268 F269 E270	R262-E266 IonicContact CZ-OE1 3.25Å; R262-E266 VanDerWaalsContact CZ-OE1 3.25Å; R262-E266 IonicContact NE-OE1 2.7Å; R262-E266 PolarHBondContact NE-OE1 2.93Å; R262-E266 IonicContact NE-OE2 3.37Å; R262-E266 IonicContact NH2-OE1 2.71Å; R262-E266 PolarHBondContact NH2-OE1 3.28Å; R262-E266 PolarHBondContact O-N 3.32Å; K263-E266 PolarHBondContact O-N 3.34Å; E266-S268 PolarHBondContact O-N 3.18Å; E266-F269 WeakPolarHBondContact O-CB 3.42Å; E266-F269 PolarHBondContact O-N 3.49Å; E266-F269 VanDerWaalsContact O-N 3.1Å; E266-E270 PolarHBondContact O-N 3.29Å
267	Q	55.4	Low	60.8	Low	103 Å²	103	116.5 Å²	116.5	48%	0.481	57%	0.571	S	S	.	*	H	α-helix	trans	-62.5	-36.9	172.3	-71.6	177.8	-5.9	0	0	113.7	K263 R265 F269 M271	K263-Q267 WeakPolarHBondContact O-CB 3.48Å; K263-Q267 WeakPolarHBondContact O-CG 3.39Å; K263-Q267 PolarHBondContact O-N 2.86Å; R265-Q267 PolarHBondContact O-N 2.86Å; Q267-F269 PolarHBondContact O-N 3.32Å; Q267-M271 WeakPolarHBondContact O-CB 3.49Å; Q267-M271 PolarHBondContact O-N 3.44Å
268	S	53.7	Low	59.2	Low	73 Å²	73	120 Å²	120	51%	0.51	59%	0.591	S	S	.	*	H	α-helix	trans	-68	-25.5	174.7	73.3	0	0	0	0	113	Q264 R265 E266 A272	Q264-S268 WeakPolarHBondContact O-CB 3.15Å; Q264-S268 PolarHBondContact O-N 3.31Å; Q264-S268 PolarHBondContact O-OG 3.04Å; R265-S268 WeakPolarHBondContact CA-OG 3.43Å; R265-S268 PolarHBondContact O-N 3Å; R265-S268 VanDerWaalsContact O-N 3.11Å; R265-S268 PolarHBondContact O-OG 2.94Å; E266-S268 PolarHBondContact O-N 3.18Å; S268-A272 PolarHBondContact O-N 3.16Å
269	F	54.3	Low	57.7	Low	158 Å²	158	122.7 Å²	122.7	69%	0.693	60%	0.601	S	S	*	*	H	α-helix	trans	-78.7	-45.5	176.3	-148	-90.3	0	0	0	110.8	R265 E266 Q267 M271 A272 D273	R265-F269 PolarHBondContact O-N 2.96Å; E266-F269 WeakPolarHBondContact O-CB 3.42Å; E266-F269 PolarHBondContact O-N 3.49Å; E266-F269 VanDerWaalsContact O-N 3.1Å; Q267-F269 PolarHBondContact O-N 3.32Å; F269-M271 PolarHBondContact O-N 2.62Å; F269-A272 PolarHBondContact O-N 3.02Å; F269-D273 PolarHBondContact O-N 3.44Å
270	E	54.5	Low	56	Low	123 Å²	123	123.2 Å²	123.2	58%	0.575	61%	0.608	S	S	*	*	H	α-helix	trans	-59	-30	171.8	-68.7	-174.7	152.5	0	0	113.1	E266 K274	E266-E270 PolarHBondContact O-N 3.29Å; E270-K274 WeakPolarHBondContact O-CG 3.32Å; E270-K274 PolarHBondContact O-N 2.91Å
271	M	54.1	Low	54.6	Low	143 Å²	143	125.3 Å²	125.3	70%	0.704	63%	0.626	S	S	*	*	H	α-helix	trans	-79.9	-24.6	176.6	-162.3	169.5	-153.4	0	0	113.2	Q267 F269	Q267-M271 WeakPolarHBondContact O-CB 3.49Å; Q267-M271 PolarHBondContact O-N 3.44Å; F269-M271 PolarHBondContact O-N 2.62Å
272	A	55.7	Low	53.2	Low	52 Å²	52	126 Å²	126	43%	0.43	64%	0.64	S	S	.	*	H	α-helix	trans	-78.7	-43.5	173.3	0	0	0	0	0	111.6	S268 F269 K274 L275	S268-A272 PolarHBondContact O-N 3.16Å; F269-A272 PolarHBondContact O-N 3.02Å; A272-K274 VanDerWaalsContact C-N 3.25Å; A272-K274 PolarHBondContact O-N 3.34Å; A272-L275 PolarHBondContact O-N 3.17Å
273	D	51.8	Low	52	Low	119 Å²	119	124 Å²	124	64%	0.636	65%	0.645	S	S	*	*	H	α-helix	trans	-56.6	-39.7	177.9	-161.4	57.7	0	0	0	111.6	F269 L275 Q276	F269-D273 PolarHBondContact O-N 3.44Å; D273-L275 PolarHBondContact O-N 3.01Å; D273-Q276 PolarHBondContact O-N 3.48Å
274	K	52.2	Low	50.2	Low	170 Å²	170	126 Å²	126	74%	0.739	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	-7	175.3	-74.2	176.7	-179.7	170.9	0	115.8	E270 A272	E270-K274 WeakPolarHBondContact O-CG 3.32Å; E270-K274 PolarHBondContact O-N 2.91Å; A272-K274 VanDerWaalsContact C-N 3.25Å; A272-K274 PolarHBondContact O-N 3.34Å
275	L	53.7	Low	48.8	Very low	148 Å²	148	128.3 Å²	128.3	78%	0.775	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	2.2	174.3	-74.4	168.6	0	0	0	112.6	A272 D273	A272-L275 PolarHBondContact O-N 3.17Å; D273-L275 PolarHBondContact O-N 3.01Å
276	Q	49.3	Very low	47.6	Very low	147 Å²	147	124.1 Å²	124.1	69%	0.687	68%	0.684	S	S	*	*	S	Bend	trans	-127.9	17.6	-171.2	-163.8	140.2	54.8	0	0	113.1	D273	D273-Q276 PolarHBondContact O-N 3.48Å
277	G	43.4	Very low	46.1	Very low	66 Å²	66	125.9 Å²	125.9	68%	0.68	70%	0.701	S	S	*	*	S	Bend	trans	-104.5	-2.7	-176	0	0	0	0	0	116.5
278	D	47	Very low	44.9	Very low	175 Å²	175	126.5 Å²	126.5	94%	0.936	72%	0.715	S	S	*	*	S	Bend	trans	-109.4	8.7	-169.4	-90.3	3.1	0	0	0	114.2
279	E	41.1	Very low	43.6	Very low	154 Å²	154	128.9 Å²	128.9	72%	0.72	73%	0.732	S	S	*	*			trans	-109.9	106.6	176	51.6	-158.1	150	0	0	111.8
280	D	39	Very low	42.6	Very low	151 Å²	151	126.1 Å²	126.1	81%	0.807	73%	0.732	S	S	*	*			trans	-89	166.4	-159.8	-159.8	6.8	0	0	0	114.4
281	V	44.2	Very low	41.6	Very low	119 Å²	119	126.7 Å²	126.7	72%	0.721	74%	0.739	S	S	*	*			trans	-27.7	124	171.8	170.2	0	0	0	0	115.6
282	T	38.9	Very low	40.7	Very low	134 Å²	134	126.2 Å²	126.2	82%	0.822	74%	0.739	S	S	*	*				-166.9	157.7	127.5	12.4	0	0	0	0	115.1
283	T	42	Very low	39.7	Very low	110 Å²	110	132.5 Å²	132.5	68%	0.675	76%	0.76	S	S	*	*			trans	-49.8	142.5	-175.6	47	0	0	0	0	119.4
284	D	35.6	Very low	38.9	Very low	142 Å²	142	134.4 Å²	134.4	76%	0.759	77%	0.77	S	S	*	*				37.4	122.1	128	-42.6	-32.3	0	0	0	121
285	T	34.7	Very low	38.1	Very low	148 Å²	148	131.7 Å²	131.7	91%	0.908	77%	0.772	S	S	*	*				-178.6	152.3	120.6	-76.8	0	0	0	0	111.4
286	A	34.3	Very low	37.2	Very low	83 Å²	83	128.3 Å²	128.3	69%	0.686	77%	0.774	S	S	*	*			trans	-90.7	-177.7	-169.7	0	0	0	0	0	115.6
287	T	34.4	Very low	36.3	Very low	125 Å²	125	132 Å²	132	77%	0.767	79%	0.788	S	S	*	*			trans	96.6	95.9	148.8	-52.1	0	0	0	0	119.3
288	C	29.3	Very low	35.8	Very low	117 Å²	117	132.6 Å²	132.6	79%	0.791	79%	0.793	S	S	*	*			trans	62.1	115.1	130.9	-60.6	0	0	0	0	123.5
289	S	27.4	Very low	35.1	Very low	123 Å²	123	135.6 Å²	135.6	86%	0.86	79%	0.792	S	S	*	*				79.2	171.7	118.2	-156.4	0	0	0	0	120.7
290	S	32.2	Very low	34.6	Very low	100 Å²	100	133.3 Å²	133.3	70%	0.699	79%	0.793	S	S	*	*			trans	83.6	87.6	156.9	-170	0	0	0	0	121
291	N	33.5	Very low	34.3	Very low	135 Å²	135	132.2 Å²	132.2	72%	0.722	79%	0.792	S	S	*	*				82	153.4	115.8	-158.7	31.6	0	0	0	120.9
292	N	35.5	Very low	33.5	Very low	132 Å²	132	133.2 Å²	133.2	71%	0.706	79%	0.793	S	S	*	*			trans	-44.1	154.3	173.7	-51.7	-37	0	0	0	113.5
293	Q	35.3	Very low	33.2	Very low	185 Å²	185	131 Å²	131	86%	0.864	78%	0.783	S	S	*	*				-157.9	164.1	62.1	-82.7	-176.4	-11	0	0	116.9
294	D	33.4	Very low	32.7	Very low	158 Å²	158	131.6 Å²	131.6	85%	0.845	79%	0.787	S	S	*	*			trans	-48.5	143.1	165.1	175.8	27.5	0	0	0	115.1
295	S	36.8	Very low	32.5	Very low	113 Å²	113	132.7 Å²	132.7	79%	0.79	79%	0.787	S	S	*	*			trans	-177.6	159.5	152.1	48.2	0	0	0	0	112
296	G	33.8	Very low	32.3	Very low	78 Å²	78	134.9 Å²	134.9	80%	0.804	79%	0.787	S	S	*	*			trans	120.7	53.8	151.4	0	0	0	0	0	119.1
297	F	30.3	Very low	32.2	Very low	225 Å²	225	140 Å²	140	99%	0.987	80%	0.797	S	S	*	*			trans	-39.7	134.5	159.8	-135.2	-106.1	0	0	0	113.8
298	G	32.9	Very low	32.3	Very low	77 Å²	77	139.5 Å²	139.5	79%	0.794	80%	0.796	S	S	*	*			trans	-172.3	114.4	173.1	0	0	0	0	0	115.2
299	R	32.3	Very low	32.5	Very low	239 Å²	239	141.8 Å²	141.8	90%	0.902	80%	0.799	S	S	*	*			trans	-104.7	145.2	167.4	-74.6	-178.7	167.3	-139.7	-1.4	109.6
300	S	30.7	Very low	32.9	Very low	105 Å²	105	144.2 Å²	144.2	73%	0.734	80%	0.801	S	S	*	*				169.5	164.6	111.4	-69.8	0	0	0	0	112.1
301	T	32.9	Very low	32.9	Very low	129 Å²	129	143.8 Å²	143.8	79%	0.791	80%	0.804	S	S	*	*			trans	15	146.1	143.7	57.5	0	0	0	0	119.8
302	D	28.1	Very low	32.9	Very low	139 Å²	139	147.6 Å²	147.6	74%	0.743	81%	0.808	S	S	*	*			cis	178.6	170.8	-3.5	-172.5	-21	0	0	0	104.8
303	S	32.6	Very low	32.6	Very low	88 Å²	88	149.5 Å²	149.5	62%	0.615	82%	0.817	S	S	*	*			trans	69.8	97.9	148.5	-71.4	0	0	0	0	120.6
304	T	30.9	Very low	32.3	Very low	123 Å²	123	150 Å²	150	76%	0.755	81%	0.813	S	S	*	*				80.5	148.3	126.1	-9.2	0	0	0	0	121.8
305	E	30.6	Very low	32.4	Very low	164 Å²	164	154.2 Å²	154.2	77%	0.766	82%	0.817	S	S	*	*			trans	56.3	92.2	160.4	-48	-157.1	152.4	0	0	119.8
306	H	31.4	Very low	32.5	Very low	194 Å²	194	155.5 Å²	155.5	90%	0.898	81%	0.805	S	S	*	*				-171.3	112.4	117.9	-95.6	-60.4	0	0	0	110.4
307	Q	31.2	Very low	32.8	Very low	191 Å²	191	154.9 Å²	154.9	89%	0.893	79%	0.788	S	S	*	*			trans	-128.3	88.8	179.1	-171.3	176.7	51.7	0	0	112	L309	Q307-L309 PolarHBondContact O-N 3.44Å
308	P	36.4	Very low	33.5	Very low	115 Å²	115	148.4 Å²	148.4	75%	0.747	77%	0.768	S	S	*	*			trans	-78.3	101.9	173.6	30.6	-32.2	0	0	0	111.5	L310	P308-L310 PolarHBondContact O-N 2.96Å
309	L	34.7	Very low	33.8	Very low	164 Å²	164	147.9 Å²	147.9	86%	0.859	76%	0.756	S	S	*	*			trans	9.2	91.4	151.8	-58.6	174.9	0	0	0	118.1	Q307	Q307-L309 PolarHBondContact O-N 3.44Å
310	L	35.1	Very low	34.3	Very low	174 Å²	174	140.8 Å²	140.8	91%	0.911	73%	0.734	S	S	*	*			trans	-112.4	96.1	143.4	-77.1	-179.4	0	0	0	109	P308	P308-L310 PolarHBondContact O-N 2.96Å
311	A	32.6	Very low	35	Very low	92 Å²	92	139 Å²	139	76%	0.76	72%	0.72	S	S	*	*			trans	-63.3	144.6	179.2	0	0	0	0	0	111.2	L313	A311-L313 PolarHBondContact O-N 3.28Å
312	R	32.3	Very low	35.5	Very low	215 Å²	215	137.9 Å²	137.9	81%	0.811	71%	0.709	S	S	*	*			trans	-65.1	88.6	-177.1	-68.3	174.2	174.5	156.6	-4.1	112.2	Y314	R312-Y314 VanDerWaalsContact C-N 3.27Å; R312-Y314 HydrophobicContact CB-CD2 4.2Å; R312-Y314 HydrophobicContact CB-CE2 4.24Å; R312-Y314 PolarHBondContact O-N 2.8Å
313	L	29.6	Very low	36.3	Very low	171 Å²	171	139.3 Å²	139.3	90%	0.895	70%	0.704	S	S	*	*			trans	-68.3	90.8	155.6	-69.9	-178.8	0	0	0	108.4	A311 R315	A311-L313 PolarHBondContact O-N 3.28Å; L313-R315 PolarHBondContact O-N 3.11Å; L313-R315 VanDerWaalsContact O-N 3.15Å
314	Y	29.9	Very low	36.8	Very low	196 Å²	196	137.6 Å²	137.6	77%	0.769	69%	0.688	S	S	*	*			trans	-55.5	117.6	166.2	-87.8	-97.9	0	0	0	108.7	R312 R316	R312-Y314 VanDerWaalsContact C-N 3.27Å; R312-Y314 HydrophobicContact CB-CD2 4.2Å; R312-Y314 HydrophobicContact CB-CE2 4.24Å; R312-Y314 PolarHBondContact O-N 2.8Å; Y314-R316 PolarHBondContact O-N 2.91Å
315	R	35.3	Very low	37.4	Very low	247 Å²	247	138.3 Å²	138.3	93%	0.932	68%	0.677	S	S	*	*			trans	-61.1	104.8	166	-80.4	-162	-175.2	-140.1	7.6	108.1	L313	L313-R315 PolarHBondContact O-N 3.11Å; L313-R315 VanDerWaalsContact O-N 3.15Å
316	R	38.1	Very low	37.8	Very low	140 Å²	140	139.5 Å²	139.5	53%	0.528	67%	0.674	S	S	.	*			trans	-59.8	135.9	170.4	-158.7	177.7	179	101.3	-8.9	108.1	Y314 Q320 D324	Y314-R316 PolarHBondContact O-N 2.91Å; R316-Q320 HydrophobicContact CG-CB 3.85Å; R316-Q320 VanDerWaalsContact CG-OE1 3.22Å; R316-D324 IonicContact CZ-OD2 3.36Å; R316-D324 IonicContact NE-OD2 2.76Å; R316-D324 PolarHBondContact NE-OD2 3.45Å; R316-D324 IonicContact NH2-OD1 3.22Å; R316-D324 PolarHBondContact NH2-OD1 3.28Å; R316-D324 IonicContact NH2-OD2 3.37Å; R316-D324 PolarHBondContact NH2-OD2 3.46Å
317	S	41.7	Very low	38.2	Very low	64 Å²	64	136.7 Å²	136.7	45%	0.448	66%	0.661	S	S	.	*			trans	-65.2	142.9	-178.5	177.6	0	0	0	0	110.6	A319 Q320 C321	S317-A319 PolarHBondContact O-N 3.45Å; S317-A319 VanDerWaalsContact O-N 3.13Å; S317-Q320 WeakPolarHBondContact O-CA 3.48Å; S317-Q320 WeakPolarHBondContact O-CB 3.31Å; S317-Q320 PolarHBondContact O-N 2.86Å; S317-C321 PolarHBondContact O-N 2.84Å
318	P	44	Very low	38.6	Very low	89 Å²	89	131.7 Å²	131.7	58%	0.578	65%	0.648	S	S	*	*	H	α-helix	trans	-53	-34.3	175	-27.9	35.8	0	0	0	113.5	Q320 C321 L322	P318-Q320 PolarHBondContact O-N 3.11Å; P318-C321 PolarHBondContact O-N 3.39Å; P318-L322 WeakPolarHBondContact O-CG 3.4Å; P318-L322 PolarHBondContact O-N 3.48Å
319	A	40	Very low	38.6	Very low	66 Å²	66	132 Å²	132	55%	0.545	64%	0.639	S	S	.	*	H	α-helix	trans	-64.9	-19.6	175.8	0	0	0	0	0	114.1	S317	S317-A319 PolarHBondContact O-N 3.45Å; S317-A319 VanDerWaalsContact O-N 3.13Å
320	Q	42.4	Very low	38.7	Very low	91 Å²	91	129.9 Å²	129.9	43%	0.425	63%	0.625	S	S	.	*	H	α-helix	trans	-81.9	-44.9	171	-111.6	172	-13	0	0	111.2	R316 S317 P318 L322 R323 D324	R316-Q320 HydrophobicContact CG-CB 3.85Å; R316-Q320 VanDerWaalsContact CG-OE1 3.22Å; S317-Q320 WeakPolarHBondContact O-CA 3.48Å; S317-Q320 WeakPolarHBondContact O-CB 3.31Å; S317-Q320 PolarHBondContact O-N 2.86Å; P318-Q320 PolarHBondContact O-N 3.11Å; Q320-L322 VanDerWaalsContact C-N 3.3Å; Q320-L322 PolarHBondContact O-N 3.46Å; Q320-R323 WeakPolarHBondContact O-CB 3.27Å; Q320-R323 PolarHBondContact O-N 3.03Å; Q320-R323 VanDerWaalsContact O-N 3.1Å; Q320-D324 PolarHBondContact O-N 3.22Å
321	C	45.2	Very low	39	Very low	68 Å²	68	126.7 Å²	126.7	46%	0.459	61%	0.614	S	S	.	*	H	α-helix	trans	-61	-37.6	177.2	-63.5	0	0	0	0	112.5	S317 P318 D324 R325	S317-C321 PolarHBondContact O-N 2.84Å; P318-C321 PolarHBondContact O-N 3.39Å; C321-D324 PolarHBondContact O-N 3.37Å; C321-R325 WeakPolarHBondContact O-CB 3.31Å; C321-R325 PolarHBondContact O-N 2.93Å
322	L	43.6	Very low	38.9	Very low	105 Å²	105	131.4 Å²	131.4	55%	0.55	62%	0.62	S	S	.	*	H	α-helix	trans	-63.5	-41.6	173.6	-69.9	170.4	0	0	0	112	P318 Q320 R325 W326	P318-L322 WeakPolarHBondContact O-CG 3.4Å; P318-L322 PolarHBondContact O-N 3.48Å; Q320-L322 VanDerWaalsContact C-N 3.3Å; Q320-L322 PolarHBondContact O-N 3.46Å; L322-R325 PolarHBondContact O-N 3.22Å; L322-W326 PolarHBondContact O-N 2.82Å
323	R	45.5	Very low	38.8	Very low	168 Å²	168	128.5 Å²	128.5	63%	0.634	62%	0.621	S	S	*	*	H	α-helix	trans	-63.5	-44.3	175.3	-175.6	-177.8	-62.1	-107.2	-1.6	112	Q320 R325 W326 Q327	Q320-R323 WeakPolarHBondContact O-CB 3.27Å; Q320-R323 PolarHBondContact O-N 3.03Å; Q320-R323 VanDerWaalsContact O-N 3.1Å; R323-R325 VanDerWaalsContact C-N 3.32Å; R323-W326 PolarHBondContact O-N 2.88Å; R323-Q327 WeakPolarHBondContact O-CG 3.44Å; R323-Q327 PolarHBondContact O-N 3.44Å
324	D	43.3	Very low	38.7	Very low	52 Å²	52	132 Å²	132	28%	0.278	62%	0.622	S	S	.	*	H	α-helix	trans	-66.9	-33.6	178.6	-59.9	-34	0	0	0	111.3	R316 Q320 C321 S328	R316-D324 IonicContact CZ-OD2 3.36Å; R316-D324 IonicContact NE-OD2 2.76Å; R316-D324 PolarHBondContact NE-OD2 3.45Å; R316-D324 IonicContact NH2-OD1 3.22Å; R316-D324 PolarHBondContact NH2-OD1 3.28Å; R316-D324 IonicContact NH2-OD2 3.37Å; R316-D324 PolarHBondContact NH2-OD2 3.46Å; Q320-D324 PolarHBondContact O-N 3.22Å; C321-D324 PolarHBondContact O-N 3.37Å; D324-S328 PolarHBondContact O-N 3.01Å; D324-S328 PolarHBondContact O-OG 2.94Å
325	R	42.4	Very low	38.7	Very low	138 Å²	138	133.1 Å²	133.1	52%	0.521	63%	0.625	S	S	.	*	H	α-helix	trans	-69.5	-47.1	173.2	-170.9	179.2	-179.7	-157	-1.6	112.3	E256 C321 L322 R323 Q327 S328 E329	E256-R325 IonicContact OE1-NH1 2.71Å; E256-R325 PolarHBondContact OE1-NH1 3.47Å; C321-R325 WeakPolarHBondContact O-CB 3.31Å; C321-R325 PolarHBondContact O-N 2.93Å; L322-R325 PolarHBondContact O-N 3.22Å; R323-R325 VanDerWaalsContact C-N 3.32Å; R325-Q327 PolarHBondContact O-N 3.43Å; R325-S328 WeakPolarHBondContact O-CA 3.28Å; R325-S328 WeakPolarHBondContact O-CB 3.45Å; R325-S328 PolarHBondContact O-N 3.3Å; R325-E329 IonicContact NE-OE1 3.45Å; R325-E329 IonicContact NH2-OE1 3.5Å; R325-E329 PolarHBondContact O-N 3.48Å
326	W	38.6	Very low	38.3	Very low	190 Å²	190	125 Å²	125	72%	0.72	62%	0.618	S	S	*	*	H	α-helix	trans	-60.6	-30.3	-179.6	-135.6	87.6	0	0	0	113	L322 R323 H330	L322-W326 PolarHBondContact O-N 2.82Å; R323-W326 PolarHBondContact O-N 2.88Å; W326-H330 AromaticContact CE3-CE1 3.79Å; W326-H330 AromaticContact CE3-ND1 3.81Å; W326-H330 AromaticContact CH2-CE1 3.89Å; W326-H330 AromaticContact CZ3-CE1 3.65Å; W326-H330 AromaticContact CZ3-ND1 3.96Å; W326-H330 PolarHBondContact O-ND1 3.29Å
327	Q	41.3	Very low	37.7	Very low	134 Å²	134	124.5 Å²	124.5	63%	0.626	63%	0.63	S	S	*	*	H	α-helix	trans	-74.6	-20.9	172	-69.6	176.8	14.9	0	0	113.8	R323 R325	R323-Q327 WeakPolarHBondContact O-CG 3.44Å; R323-Q327 PolarHBondContact O-N 3.44Å; R325-Q327 PolarHBondContact O-N 3.43Å
328	S	39.1	Very low	37	Very low	87 Å²	87	127.3 Å²	127.3	61%	0.608	65%	0.645	S	S	*	*	H	α-helix	trans	-85.1	-31.1	-179.7	-59.1	0	0	0	0	112.7	D324 R325 H330	D324-S328 PolarHBondContact O-N 3.01Å; D324-S328 PolarHBondContact O-OG 2.94Å; R325-S328 WeakPolarHBondContact O-CA 3.28Å; R325-S328 WeakPolarHBondContact O-CB 3.45Å; R325-S328 PolarHBondContact O-N 3.3Å; S328-H330 VanDerWaalsContact C-N 3.26Å; S328-H330 PolarHBondContact O-N 3.42Å
329	E	35.9	Very low	36.2	Very low	122 Å²	122	129.2 Å²	129.2	57%	0.57	65%	0.654	S	S	*	*	S	Bend	trans	-73.9	-11.3	178.5	-56.2	-74.5	162.4	0	0	113.1	R325 P331	R325-E329 IonicContact NE-OE1 3.45Å; R325-E329 IonicContact NH2-OE1 3.5Å; R325-E329 PolarHBondContact O-N 3.48Å; E329-P331 VanDerWaalsContact C-CD 3.47Å; E329-P331 VanDerWaalsContact O-CD 3.27Å; E329-P331 WeakPolarHBondContact O-CD 3.35Å
330	H	37.9	Very low	36.2	Very low	119 Å²	119	131.6 Å²	131.6	55%	0.551	66%	0.664	S	S	*	*			trans	-120.2	70.8	-174.8	-65.9	98.5	0	0	0	114.2	W326 S328 H332	W326-H330 AromaticContact CE3-CE1 3.79Å; W326-H330 AromaticContact CE3-ND1 3.81Å; W326-H330 AromaticContact CH2-CE1 3.89Å; W326-H330 AromaticContact CZ3-CE1 3.65Å; W326-H330 AromaticContact CZ3-ND1 3.96Å; W326-H330 PolarHBondContact O-ND1 3.29Å; S328-H330 VanDerWaalsContact C-N 3.26Å; S328-H330 PolarHBondContact O-N 3.42Å; H330-H332 PolarHBondContact O-N 3.19Å
331	P	39.8	Very low	35.3	Very low	106 Å²	106	136.7 Å²	136.7	69%	0.688	69%	0.688	S	S	*	*			trans	-90.5	91.4	-168.6	35.5	-37.2	0	0	0	114.8	E329	E329-P331 VanDerWaalsContact C-CD 3.47Å; E329-P331 VanDerWaalsContact O-CD 3.27Å; E329-P331 WeakPolarHBondContact O-CD 3.35Å
332	H	31.8	Very low	34.3	Very low	191 Å²	191	142.1 Å²	142.1	88%	0.884	71%	0.707	S	S	*	*			trans	-122.8	112.4	167.9	-81.1	-37.2	0	0	0	115.7	H330	H330-H332 PolarHBondContact O-N 3.19Å
333	N	30	Very low	33.7	Very low	154 Å²	154	140.3 Å²	140.3	82%	0.824	71%	0.706	S	S	*	*			trans	61.7	76.4	156.2	-106.5	-11.9	0	0	0	119.8
334	R	27.6	Very low	32.8	Very low	244 Å²	244	141.3 Å²	141.3	92%	0.921	72%	0.718	S	S	*	*			trans	-127.3	103.4	133.4	-79.9	-167.3	172	-158.6	-2.2	111
335	R	30.1	Very low	31.9	Very low	221 Å²	221	143.2 Å²	143.2	83%	0.834	74%	0.736	S	S	*	*			trans	-118.4	102.5	162.9	-173.1	-178.6	-64.7	-120.3	2	108.4
336	G	25.7	Very low	31.1	Very low	76 Å²	76	142.8 Å²	142.8	78%	0.784	75%	0.749	S	S	*	*			trans	-79.1	138.8	168.1	0	0	0	0	0	110.3
337	T	26.5	Very low	30.6	Very low	129 Å²	129	142.3 Å²	142.3	79%	0.791	75%	0.751	S	S	*	*			trans	-128.2	142.7	169	-53.1	0	0	0	0	107.7
338	V	27.2	Very low	29.8	Very low	124 Å²	124	141.4 Å²	141.4	75%	0.752	76%	0.756	S	S	*	*			trans	-118.2	166.2	-168.2	-168.2	0	0	0	0	109.4
339	V	26.5	Very low	29.1	Very low	128 Å²	128	145.2 Å²	145.2	78%	0.776	76%	0.763	S	S	*	*			trans	78.7	140.8	165.8	-163.6	0	0	0	0	114.8
340	P	38.9	Very low	28.6	Very low	116 Å²	116	143.6 Å²	143.6	75%	0.753	77%	0.765	S	S	*	*			cis	-128	-172.5	-34.6	39.2	-23.7	0	0	0	112.1
341	Q	24.7	Very low	28	Very low	198 Å²	198	144.2 Å²	144.2	93%	0.925	78%	0.778	S	S	*	*			trans	-150.5	153.3	147.8	-130.6	180	21.4	0	0	112.6
342	H	25	Very low	27.4	Very low	183 Å²	183	144.4 Å²	144.4	85%	0.847	78%	0.781	S	S	*	*			trans	-146.3	123.9	-173.6	-149.9	-74.6	0	0	0	111.2
343	A	29.1	Very low	27.3	Very low	66 Å²	66	144.7 Å²	144.7	55%	0.545	78%	0.783	S	S	.	*			trans	59	133.9	154.3	0	0	0	0	0	122.9
344	Q	28.1	Very low	26.9	Very low	190 Å²	190	140.5 Å²	140.5	89%	0.888	78%	0.776	S	S	*	*			trans	73	154.3	143.3	-70.7	176.1	53.9	0	0	119.9
345	S	23.5	Very low	26.8	Very low	92 Å²	92	136.5 Å²	136.5	64%	0.643	77%	0.773	S	S	*	*			cis	-168.5	163.1	-27.7	-161.6	0	0	0	0	111.6
346	T	26.8	Very low	26.7	Very low	129 Å²	129	135 Å²	135	79%	0.791	78%	0.776	S	S	*	*			trans	63.2	166.4	162.5	61.8	0	0	0	0	121
347	K	26.3	Very low	26.6	Very low	179 Å²	179	135.9 Å²	135.9	78%	0.778	77%	0.77	S	S	*	*				-174.7	155.5	-50.5	-151.8	179.6	-175.1	-178	0	109.2
348	T	24.7	Very low	26.8	Very low	116 Å²	116	136 Å²	136	71%	0.712	77%	0.77	S	S	*	*			trans	70.8	149.6	164	78.4	0	0	0	0	117.2
349	H	24.6	Very low	26.7	Very low	167 Å²	167	135.2 Å²	135.2	77%	0.773	77%	0.766	S	S	*	*			cis	-157	162.4	-19.8	-130.3	-96.6	0	0	0	111.3
350	S	26.2	Very low	26.6	Very low	87 Å²	87	134.3 Å²	134.3	61%	0.608	77%	0.765	S	S	*	*			trans	7.3	140.2	154.1	52.3	0	0	0	0	120.5
351	T	25.8	Very low	26.1	Very low	133 Å²	133	136.4 Å²	136.4	82%	0.816	77%	0.768	S	S	*	*			cis	-150.1	-159.6	17.9	-8.5	0	0	0	0	109.8
352	S	25.4	Very low	26.1	Very low	109 Å²	109	137.7 Å²	137.7	76%	0.762	76%	0.764	S	S	*	*			cis	-155	-170.6	22.9	-35.6	0	0	0	0	112.4
353	Q	30	Very low	26.2	Very low	198 Å²	198	137 Å²	137	93%	0.925	77%	0.767	S	S	*	*			trans	-69.9	154.1	172	-66.9	155.2	-31.9	0	0	113
354	G	23.2	Very low	26.5	Very low	66 Å²	66	139.7 Å²	139.7	68%	0.68	78%	0.782	S	S	*	*			cis	179.2	-162.8	-0.8	0	0	0	0	0	114.8
355	N	25.2	Very low	26.4	Very low	160 Å²	160	134.3 Å²	134.3	86%	0.856	78%	0.777	S	S	*	*			trans	83.4	110.7	-178.1	-64.1	12.2	0	0	0	117.6
356	E	28.1	Very low	26.6	Very low	189 Å²	189	135.8 Å²	135.8	88%	0.883	79%	0.786	S	S	*	*			trans	73.5	80.4	148	-53.4	-166.7	168.8	0	0	120.4
357	S	23.5	Very low	26.6	Very low	95 Å²	95	133 Å²	133	66%	0.664	78%	0.783	S	S	*	*			trans	-63.8	156	143	54.1	0	0	0	0	110.8
358	V	29.4	Very low	27.3	Very low	132 Å²	132	131.6 Å²	131.6	80%	0.8	79%	0.789	S	S	*	*			cis	-142.1	120.3	45.2	166.8	0	0	0	0	108.7
359	V	26.7	Very low	28	Very low	107 Å²	107	136.3 Å²	136.3	65%	0.648	79%	0.794	S	S	*	*				73.6	83.1	61.7	-177.3	0	0	0	0	113.8
360	S	22.9	Very low	28.6	Very low	109 Å²	109	131 Å²	131	76%	0.762	78%	0.784	S	S	*	*				73.1	168.1	127.4	-56.2	0	0	0	0	117.4
361	I	28.4	Very low	29.3	Very low	160 Å²	160	134.1 Å²	134.1	82%	0.821	79%	0.793	S	S	*	*			cis	-132.7	154.8	22.9	-65.4	169.7	0	0	0	112.6
362	R	26.1	Very low	30.1	Very low	225 Å²	225	135.4 Å²	135.4	85%	0.849	79%	0.79	S	S	*	*			trans	-50.5	151.9	172.5	-56.5	167.8	175.6	167.7	-3.7	112.9
363	N	25.5	Very low	31.4	Very low	167 Å²	167	133.6 Å²	133.6	89%	0.893	77%	0.772	S	S	*	*				-153.7	133	121.2	-117.3	-5.8	0	0	0	111.9
364	S	36.6	Very low	32.1	Very low	124 Å²	124	128.2 Å²	128.2	87%	0.867	76%	0.755	S	S	*	*			trans	-132	112.5	176.1	-54.9	0	0	0	0	109
365	G	26	Very low	32.8	Very low	77 Å²	77	132 Å²	132	79%	0.794	75%	0.753	S	S	*	*			trans	135.6	134.6	165.1	0	0	0	0	0	116.4
366	C	26.6	Very low	33.9	Very low	123 Å²	123	130 Å²	130	83%	0.831	74%	0.739	S	S	*	*			trans	64.2	103.7	159.1	-167.4	0	0	0	0	118.3
367	G	26.9	Very low	34.9	Very low	70 Å²	70	126.4 Å²	126.4	72%	0.722	72%	0.722	S	S	*	*			trans	-167.4	61.7	171.2	0	0	0	0	0	113.2	R369	G367-R369 PolarHBondContact O-N 2.98Å
368	V	41.4	Very low	36.2	Very low	149 Å²	149	127.3 Å²	127.3	90%	0.903	72%	0.718	S	S	*	*			trans	-68.5	97.4	179.2	179.5	0	0	0	0	110.5
369	R	39.5	Very low	36.9	Very low	215 Å²	215	124.6 Å²	124.6	81%	0.811	70%	0.699	S	S	*	*			trans	-139.6	90.4	163.5	-81.1	-171.7	168.4	-127	2.1	107.9	G367	G367-R369 PolarHBondContact O-N 2.98Å
370	G	37.2	Very low	38.2	Very low	55 Å²	55	124.4 Å²	124.4	57%	0.567	69%	0.691	S	S	*	*			trans	-157.3	44.3	-170.1	0	0	0	0	0	112.9
371	L	40.5	Very low	39.3	Very low	154 Å²	154	123.6 Å²	123.6	81%	0.806	68%	0.678	S	S	*	*	S	Bend	trans	-140.6	8.7	174.3	-119.2	168.1	0	0	0	113.7
372	E	43.6	Very low	40	Very low	160 Å²	160	123.3 Å²	123.3	75%	0.748	67%	0.671	S	S	*	*	S	Bend	trans	-99.8	-14.3	162.4	-67.6	168.1	149.5	0	0	110.3	C374	E372-C374 PolarHBondContact O-N 3.13Å
373	N	52.3	Low	40.6	Very low	71 Å²	71	115 Å²	115	38%	0.38	65%	0.646	S	S	.	*	H	α-helix	trans	-85.1	-3.4	-170.2	-63.4	2.7	0	0	0	114.4	F375 Q376 Q377	N373-F375 VanDerWaalsContact C-N 3.31Å; N373-F375 PolarHBondContact O-N 2.85Å; N373-Q376 PolarHBondContact O-N 3.49Å; N373-Q377 HydrophobicContact CB-CG 4.43Å; N373-Q377 VanDerWaalsContact O-CB 3.31Å; N373-Q377 WeakPolarHBondContact O-CB 3.29Å; N373-Q377 WeakPolarHBondContact O-CG 3.49Å; N373-Q377 PolarHBondContact O-N 3.29Å
374	C	44.8	Very low	41.4	Very low	84 Å²	84	112.4 Å²	112.4	57%	0.568	63%	0.629	S	S	*	*	H	α-helix	trans	-62.2	-40.3	-179.5	-54.6	0	0	0	0	111.7	E372 L378	E372-C374 PolarHBondContact O-N 3.13Å; C374-L378 VanDerWaalsContact O-CB 3.3Å; C374-L378 WeakPolarHBondContact O-CB 3.33Å; C374-L378 PolarHBondContact O-N 3.19Å
375	F	37.3	Very low	41.9	Very low	146 Å²	146	112.8 Å²	112.8	64%	0.64	62%	0.62	S	S	*	*	H	α-helix	trans	-73.9	-37.2	175.2	-166.4	-108.1	0	0	0	111.7	N373 L378 L379	N373-F375 VanDerWaalsContact C-N 3.31Å; N373-F375 PolarHBondContact O-N 2.85Å; F375-L378 PolarHBondContact O-N 3.48Å; F375-L379 HydrophobicContact CD1-CD1 3.75Å; F375-L379 HydrophobicContact CE1-CD1 3.6Å; F375-L379 HydrophobicContact CE1-CG 4.35Å; F375-L379 HydrophobicContact CZ-CD1 4.37Å; F375-L379 WeakPolarHBondContact O-CB 3.45Å; F375-L379 PolarHBondContact O-N 3.19Å
376	Q	48.8	Very low	42.9	Very low	118 Å²	118	117.2 Å²	117.2	55%	0.551	61%	0.612	S	S	*	*	H	α-helix	trans	-64.5	-44.2	176.2	-163.5	67.9	24	0	0	111.8	N373 L379 E380	N373-Q376 PolarHBondContact O-N 3.49Å; Q376-L379 WeakPolarHBondContact O-CB 3.38Å; Q376-L379 PolarHBondContact O-N 2.98Å; Q376-E380 VanDerWaalsContact O-CB 3.25Å; Q376-E380 WeakPolarHBondContact O-CB 3.42Å; Q376-E380 PolarHBondContact O-N 2.88Å
377	Q	49.7	Very low	43.8	Very low	114 Å²	114	117.7 Å²	117.7	53%	0.533	61%	0.607	S	S	.	*	H	α-helix	trans	-70.6	-30.8	175.8	-72.2	-177.7	-59.3	0	0	112	N373 E380 L381	N373-Q377 HydrophobicContact CB-CG 4.43Å; N373-Q377 VanDerWaalsContact O-CB 3.31Å; N373-Q377 WeakPolarHBondContact O-CB 3.29Å; N373-Q377 WeakPolarHBondContact O-CG 3.49Å; N373-Q377 PolarHBondContact O-N 3.29Å; Q377-E380 PolarHBondContact O-N 3.21Å; Q377-L381 WeakPolarHBondContact O-CB 3.35Å; Q377-L381 WeakPolarHBondContact O-CD1 3.2Å; Q377-L381 PolarHBondContact O-N 3.02Å
378	L	49.5	Very low	44.6	Very low	113 Å²	113	117.6 Å²	117.6	59%	0.592	61%	0.606	S	S	*	*	H	α-helix	trans	-69.6	-38	171.9	-166.8	68.8	0	0	0	111.5	C374 F375 K382	C374-L378 VanDerWaalsContact O-CB 3.3Å; C374-L378 WeakPolarHBondContact O-CB 3.33Å; C374-L378 PolarHBondContact O-N 3.19Å; F375-L378 PolarHBondContact O-N 3.48Å; L378-K382 WeakPolarHBondContact O-CB 3.34Å; L378-K382 PolarHBondContact O-N 3.32Å
379	L	44.3	Very low	44.4	Very low	76 Å²	76	112.7 Å²	112.7	40%	0.398	59%	0.585	S	S	.	*	H	α-helix	trans	-66.2	-40	170.3	-82.3	165.9	0	0	0	112.3	F375 Q376 K382 C383	F375-L379 HydrophobicContact CD1-CD1 3.75Å; F375-L379 HydrophobicContact CE1-CD1 3.6Å; F375-L379 HydrophobicContact CE1-CG 4.35Å; F375-L379 HydrophobicContact CZ-CD1 4.37Å; F375-L379 WeakPolarHBondContact O-CB 3.45Å; F375-L379 PolarHBondContact O-N 3.19Å; Q376-L379 WeakPolarHBondContact O-CB 3.38Å; Q376-L379 PolarHBondContact O-N 2.98Å; L379-K382 PolarHBondContact O-N 3.31Å; L379-C383 WeakPolarHBondContact O-CB 3.38Å; L379-C383 PolarHBondContact O-N 3.34Å; L379-C383 PolarHBondContact O-SG 2.87Å
380	E	53.6	Low	44.4	Very low	102 Å²	102	111.9 Å²	111.9	48%	0.477	59%	0.591	S	S	.	*	H	α-helix	trans	-69.6	-42.8	179.1	-168.3	168.2	-160.1	0	0	111.3	Q376 Q377 C383 Q384	Q376-E380 VanDerWaalsContact O-CB 3.25Å; Q376-E380 WeakPolarHBondContact O-CB 3.42Å; Q376-E380 PolarHBondContact O-N 2.88Å; Q377-E380 PolarHBondContact O-N 3.21Å; E380-C383 PolarHBondContact O-N 2.61Å; E380-Q384 WeakPolarHBondContact O-CB 3.48Å; E380-Q384 VanDerWaalsContact O-CG 3.25Å; E380-Q384 WeakPolarHBondContact O-CG 3.43Å; E380-Q384 PolarHBondContact O-N 2.86Å
381	L	47	Very low	44.3	Very low	93 Å²	93	114.7 Å²	114.7	49%	0.487	60%	0.6	S	S	.	*	H	α-helix	trans	-59.4	-45.8	167	-101.9	72.8	0	0	0	111.1	Q377 C383 Q384 I385	Q377-L381 WeakPolarHBondContact O-CB 3.35Å; Q377-L381 WeakPolarHBondContact O-CD1 3.2Å; Q377-L381 PolarHBondContact O-N 3.02Å; L381-C383 VanDerWaalsContact C-N 3.26Å; L381-C383 PolarHBondContact O-N 3.46Å; L381-Q384 CarbonylContact O-C 3.55Å; L381-Q384 PolarHBondContact O-N 3.19Å; L381-Q384 VanDerWaalsContact O-N 3.12Å; L381-I385 WeakPolarHBondContact O-CB 3.44Å; L381-I385 WeakPolarHBondContact O-CD1 3.37Å; L381-I385 VanDerWaalsContact O-CG1 3.22Å; L381-I385 WeakPolarHBondContact O-CG1 3.39Å; L381-I385 PolarHBondContact O-N 2.84Å
382	K	41.8	Very low	44.2	Very low	154 Å²	154	110.2 Å²	110.2	67%	0.67	59%	0.592	S	S	*	*	H	α-helix	trans	-65.6	-29.9	-179.4	-165.5	172	-176	-179.5	0	112.2	L378 L379 R386	L378-K382 WeakPolarHBondContact O-CB 3.34Å; L378-K382 PolarHBondContact O-N 3.32Å; L379-K382 PolarHBondContact O-N 3.31Å; K382-R386 WeakPolarHBondContact O-CB 3.36Å; K382-R386 PolarHBondContact O-N 3.43Å
383	C	39.3	Very low	44	Very low	50 Å²	50	107.7 Å²	107.7	34%	0.338	59%	0.587	S	S	.	*	H	α-helix	trans	-76.2	-36.8	170	-68.7	0	0	0	0	112.7	L379 E380 L381 R386 N387	L379-C383 WeakPolarHBondContact O-CB 3.38Å; L379-C383 PolarHBondContact O-N 3.34Å; L379-C383 PolarHBondContact O-SG 2.87Å; E380-C383 PolarHBondContact O-N 2.61Å; L381-C383 VanDerWaalsContact C-N 3.26Å; L381-C383 PolarHBondContact O-N 3.46Å; C383-R386 PolarHBondContact O-N 2.92Å; C383-N387 VanDerWaalsContact O-CB 3.26Å; C383-N387 WeakPolarHBondContact O-CB 3.28Å; C383-N387 PolarHBondContact O-N 3.49Å; C383-N387 PolarHBondContact O-OD1 2.91Å
384	Q	43.6	Very low	43.2	Very low	113 Å²	113	113.3 Å²	113.3	53%	0.528	60%	0.604	S	S	.	*	H	α-helix	trans	-68.8	-37.1	175.4	-74.1	168.6	3.7	0	0	112.1	E380 L381 N387 G388	E380-Q384 WeakPolarHBondContact O-CB 3.48Å; E380-Q384 VanDerWaalsContact O-CG 3.25Å; E380-Q384 WeakPolarHBondContact O-CG 3.43Å; E380-Q384 PolarHBondContact O-N 2.86Å; L381-Q384 CarbonylContact O-C 3.55Å; L381-Q384 PolarHBondContact O-N 3.19Å; L381-Q384 VanDerWaalsContact O-N 3.12Å; Q384-N387 CarbonylContact O-C 3.55Å; Q384-N387 PolarHBondContact O-N 2.88Å; Q384-G388 WeakPolarHBondContact O-CA 3.48Å; Q384-G388 PolarHBondContact O-N 3.42Å
385	I	46.7	Very low	42.7	Very low	131 Å²	131	114.9 Å²	114.9	67%	0.672	62%	0.616	S	S	*	*	H	α-helix	trans	-64.8	-39.7	172	-68.7	162.6	0	0	0	110.5	L381	L381-I385 WeakPolarHBondContact O-CB 3.44Å; L381-I385 WeakPolarHBondContact O-CD1 3.37Å; L381-I385 VanDerWaalsContact O-CG1 3.22Å; L381-I385 WeakPolarHBondContact O-CG1 3.39Å; L381-I385 PolarHBondContact O-N 2.84Å
386	R	46	Very low	42.7	Very low	170 Å²	170	115.1 Å²	115.1	64%	0.642	62%	0.623	S	S	*	*	H	α-helix	trans	-74.2	-25.1	175.8	-169.3	172.9	64.9	-171.2	-0.5	114	K382 C383	K382-R386 WeakPolarHBondContact O-CB 3.36Å; K382-R386 PolarHBondContact O-N 3.43Å; C383-R386 PolarHBondContact O-N 2.92Å
387	N	46	Very low	41.8	Very low	133 Å²	133	118.1 Å²	118.1	71%	0.711	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	6.9	179.1	-64.2	4.1	0	0	0	112.8	C383 Q384	C383-N387 VanDerWaalsContact O-CB 3.26Å; C383-N387 WeakPolarHBondContact O-CB 3.28Å; C383-N387 PolarHBondContact O-N 3.49Å; C383-N387 PolarHBondContact O-OD1 2.91Å; Q384-N387 CarbonylContact O-C 3.55Å; Q384-N387 PolarHBondContact O-N 2.88Å
388	G	44.2	Very low	40.9	Very low	69 Å²	69	121.8 Å²	121.8	71%	0.711	65%	0.646	S	S	*	*	S	Bend	trans	-115.3	15.7	-175.7	0	0	0	0	0	114.3	Q384	Q384-G388 WeakPolarHBondContact O-CA 3.48Å; Q384-G388 PolarHBondContact O-N 3.42Å
389	G	37.3	Very low	40.2	Very low	45 Å²	45	122.3 Å²	122.3	46%	0.464	66%	0.659	S	S	.	*	S	Bend	trans	-151.3	144.9	177.4	0	0	0	0	0	110.4	C391	G389-C391 PolarHBondContact O-N 3.27Å
390	E	38.7	Very low	39.9	Very low	198 Å²	198	126.3 Å²	126.3	93%	0.925	68%	0.679	S	S	*	*			trans	-72.4	87.8	-164.2	-62.8	-178.8	136.1	0	0	113.6	G392	E390-G392 PolarHBondContact O-N 2.84Å
391	C	34.8	Very low	38.9	Very low	114 Å²	114	130.4 Å²	130.4	77%	0.77	70%	0.698	S	S	*	*			trans	-77.4	53.2	171.2	-63.8	0	0	0	0	113.4	G389	G389-C391 PolarHBondContact O-N 3.27Å
392	G	39	Very low	38.1	Very low	61 Å²	61	131.9 Å²	131.9	63%	0.629	72%	0.715	S	S	*	*			trans	-103.7	140	157.6	0	0	0	0	0	108.7	E390	E390-G392 PolarHBondContact O-N 2.84Å
393	V	38.7	Very low	37.7	Very low	107 Å²	107	129.9 Å²	129.9	65%	0.648	72%	0.72	S	S	*	*	S	Bend	cis	-129.1	-10.5	37	172.2	0	0	0	0	113.5	S395	V393-S395 PolarHBondContact O-N 3.33Å
394	Y	36.2	Very low	37.3	Very low	189 Å²	189	135.2 Å²	135.2	74%	0.741	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	42.5	-159.1	-69.6	-77.1	0	0	0	117
395	S	34.2	Very low	36.8	Very low	117 Å²	117	137.1 Å²	137.1	82%	0.818	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.9	4	170.2	-69	0	0	0	0	116.1	V393	V393-S395 PolarHBondContact O-N 3.33Å
396	I	36.8	Very low	36.2	Very low	151 Å²	151	133.6 Å²	133.6	77%	0.774	76%	0.76	S	S	*	*			trans	-105.8	78.1	176.1	-51.9	177.3	0	0	0	110
397	R	30.5	Very low	35.8	Very low	181 Å²	181	134.8 Å²	134.8	68%	0.683	77%	0.773	S	S	*	*	S	Bend	trans	-154.1	-7.6	165.4	-124.5	-178.8	-166.6	-131.3	2.6	119.5	H117	H117-R397 PolarHBondContact CE1-NH1 3.44Å; H117-R397 PolarHBondContact CE1-NH2 3.16Å; H117-R397 PolarHBondContact NE2-NH2 3.09Å
398	H	31.2	Very low	35	Very low	191 Å²	191	132.6 Å²	132.6	88%	0.884	78%	0.782	S	S	*	*	S	Bend	trans	-119.8	53.8	178.9	-84	173.9	0	0	0	113.7
399	S	34.5	Very low	34.5	Very low	123 Å²	123	133 Å²	133	86%	0.86	79%	0.785	S	S	*	*	S	Bend	trans	-153.5	12.7	167	-74.6	0	0	0	0	114.7
400	I	36.7	Very low	34.4	Very low	161 Å²	161	134.2 Å²	134.2	83%	0.826	80%	0.798	S	S	*	*			trans	-121.7	58.5	177	-43.9	-178.7	0	0	0	110.5
401	E	34.5	Very low	34.5	Very low	188 Å²	188	133 Å²	133	88%	0.879	80%	0.798	S	S	*	*			trans	-149.5	69.4	156.5	-165.1	163.9	-140.2	0	0	111.5
402	C	28.3	Very low	34.5	Very low	124 Å²	124	131.5 Å²	131.5	84%	0.838	80%	0.802	S	S	*	*	S	Bend	trans	-156.2	137	157.2	-100.6	0	0	0	0	109.8
403	S	33.8	Very low	34.8	Very low	111 Å²	111	136.5 Å²	136.5	78%	0.776	81%	0.814	S	S	*	*			trans	60.6	91.7	166.8	-54.5	0	0	0	0	117.7
404	L	31.1	Very low	35.1	Very low	163 Å²	163	137.4 Å²	137.4	85%	0.853	83%	0.825	S	S	*	*				177.5	86.7	107.8	-93.8	164.4	0	0	0	113.5
405	T	34.4	Very low	35.6	Very low	152 Å²	152	138.2 Å²	138.2	93%	0.933	84%	0.836	S	S	*	*			trans	-78.5	104.9	144.9	45.4	0	0	0	0	107.7
406	G	33.3	Very low	35.8	Very low	57 Å²	57	136.3 Å²	136.3	59%	0.588	84%	0.835	S	S	*	*			trans	-174.5	50.5	-167.5	0	0	0	0	0	117.5
407	Q	37.4	Very low	36.3	Very low	195 Å²	195	136.5 Å²	136.5	91%	0.911	84%	0.838	S	S	*	*			trans	30.4	103.5	142.6	-171.5	165.1	62.7	0	0	118.9
408	G	28.8	Very low	37.2	Very low	88 Å²	88	134.3 Å²	134.3	91%	0.907	84%	0.844	S	S	*	*			trans	-95.3	115.9	165.9	0	0	0	0	0	112.6
409	G	34	Very low	37.7	Very low	76 Å²	76	128.2 Å²	128.2	78%	0.784	83%	0.833	S	S	*	*			trans	156.9	109.6	167.8	0	0	0	0	0	115.3
410	G	35.5	Very low	38.1	Very low	71 Å²	71	128.1 Å²	128.1	73%	0.732	84%	0.839	S	S	*	*			trans	118.2	103	165.7	0	0	0	0	0	115.8
411	D	40.3	Very low	38.6	Very low	174 Å²	174	122.5 Å²	122.5	93%	0.93	82%	0.821	S	S	*	*			trans	29.2	124.2	143.6	-47.4	-21.4	0	0	0	121.2
412	G	35.7	Very low	39.3	Very low	82 Å²	82	116 Å²	116	85%	0.845	81%	0.805	S	S	*	*			trans	169.5	114	161.8	0	0	0	0	0	114.6
413	D	45.9	Very low	40.9	Very low	166 Å²	166	112.5 Å²	112.5	89%	0.888	79%	0.789	S	S	*	*			trans	-73.2	135.1	175.6	-63.6	-65.9	0	0	0	112.9
414	S	44.1	Very low	42.5	Very low	126 Å²	126	112.1 Å²	112.1	88%	0.881	78%	0.782	S	S	*	*			trans	-172.9	154.6	145.3	-82.2	0	0	0	0	111.6
415	E	47.6	Very low	44.5	Very low	205 Å²	205	111.7 Å²	111.7	96%	0.958	78%	0.776	S	S	*	*			trans	-75.4	150.2	-174.6	-59.6	-175.6	125	0	0	114.2
416	G	36.8	Very low	46.2	Very low	78 Å²	78	109.8 Å²	109.8	80%	0.804	76%	0.757	S	S	*	*			trans	179.1	99.4	171.9	0	0	0	0	0	112.9
417	D	48.7	Very low	48.5	Very low	155 Å²	155	112.8 Å²	112.8	83%	0.829	76%	0.755	S	S	*	*			trans	-84.4	168	173.6	-177	32.8	0	0	0	112
418	V	47.7	Very low	50.5	Low	134 Å²	134	108.8 Å²	108.8	81%	0.812	74%	0.739	S	S	*	*			trans	76.6	130.2	173.2	-167.4	0	0	0	0	115.9
419	G	41.9	Very low	52.9	Low	63 Å²	63	111 Å²	111	65%	0.649	72%	0.724	S	S	*	*			trans	170.8	-29.3	164.8	0	0	0	0	0	118.1	G421	G419-G421 PolarHBondContact O-N 2.81Å
420	A	44.1	Very low	55.1	Low	121 Å²	121	112.4 Å²	112.4	100%	1	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	32.3	-167.2	0	0	0	0	0	116.5
421	G	46.3	Very low	57.4	Low	44 Å²	44	113.9 Å²	113.9	45%	0.454	70%	0.702	S	S	.	*	T	Hydrogen-bonded Turn	trans	-115.9	-10.4	179	0	0	0	0	0	115.7	G419 G423 E425	G419-G421 PolarHBondContact O-N 2.81Å; G421-G423 PolarHBondContact O-N 3.16Å; G421-E425 PolarHBondContact O-N 2.81Å
422	G	49.3	Very low	59.5	Low	52 Å²	52	109.5 Å²	109.5	54%	0.536	68%	0.678	S	S	.	*	H	α-helix	trans	-60	-34.9	-162.8	0	0	0	0	0	116.7	Q426	G422-Q426 WeakPolarHBondContact O-CB 3.22Å; G422-Q426 PolarHBondContact O-N 3.02Å
423	G	62.4	Low	61.8	Low	49 Å²	49	110.8 Å²	110.8	51%	0.505	66%	0.662	S	S	.	*	H	α-helix	trans	-64.7	-57.8	-175.8	0	0	0	0	0	113.3	G421 E425 Q426 E427	G421-G423 PolarHBondContact O-N 3.16Å; G423-E425 VanDerWaalsContact C-N 3.31Å; G423-E425 PolarHBondContact O-N 3.47Å; G423-Q426 WeakPolarHBondContact O-CB 3.28Å; G423-Q426 PolarHBondContact O-N 2.92Å; G423-E427 PolarHBondContact O-N 2.84Å
424	V	68.1	Low	63.7	Low	104 Å²	104	108.3 Å²	108.3	63%	0.63	65%	0.646	S	S	*	*	H	α-helix	trans	-64.2	-36.7	-177.8	-178.6	0	0	0	0	111.4	E427 L428	V424-E427 PolarHBondContact O-N 2.73Å; V424-L428 VanDerWaalsContact O-CB 3.24Å; V424-L428 WeakPolarHBondContact O-CB 3.46Å; V424-L428 PolarHBondContact O-N 2.86Å
425	E	72.1	Confident	65.7	Low	153 Å²	153	107.7 Å²	107.7	72%	0.715	63%	0.632	S	S	*	*	H	α-helix	trans	-73	-31.1	177.8	-167.8	160.6	-165.9	0	0	112.5	G421 G423 K429	G421-E425 PolarHBondContact O-N 2.81Å; G423-E425 VanDerWaalsContact C-N 3.31Å; G423-E425 PolarHBondContact O-N 3.47Å; E425-K429 WeakPolarHBondContact O-CB 3.4Å; E425-K429 PolarHBondContact O-N 2.8Å
426	Q	71.1	Confident	67.2	Low	113 Å²	113	103.4 Å²	103.4	53%	0.528	61%	0.607	S	S	.	*	H	α-helix	trans	-67.1	-44.8	170.6	-172.8	84.6	-10.9	0	0	111.5	G422 G423 K429 M430	G422-Q426 WeakPolarHBondContact O-CB 3.22Å; G422-Q426 PolarHBondContact O-N 3.02Å; G423-Q426 WeakPolarHBondContact O-CB 3.28Å; G423-Q426 PolarHBondContact O-N 2.92Å; Q426-K429 PolarHBondContact O-N 2.73Å; Q426-M430 WeakPolarHBondContact O-CG 3.22Å; Q426-M430 PolarHBondContact O-N 3.1Å
427	E	81.8	Confident	69.6	Low	120 Å²	120	102.9 Å²	102.9	56%	0.561	59%	0.591	S	S	*	*	H	α-helix	trans	-61.5	-48.1	175.5	-73	173.8	-171.3	0	0	112.1	G423 V424 K429 M430 L431	G423-E427 PolarHBondContact O-N 2.84Å; V424-E427 PolarHBondContact O-N 2.73Å; E427-K429 VanDerWaalsContact C-N 3.26Å; E427-K429 PolarHBondContact O-N 3.36Å; E427-M430 HydrophobicContact CG-CE 4.4Å; E427-M430 PolarHBondContact O-N 2.81Å; E427-M430 VanDerWaalsContact O-N 3.11Å; E427-L431 PolarHBondContact O-N 3.37Å
428	L	78.8	Confident	71.2	Confident	110 Å²	110	99.9 Å²	99.9	58%	0.576	57%	0.574	S	S	*	*	H	α-helix	trans	-64.9	-33.2	179.4	-160.3	153.4	0	0	0	111.1	V424 N432	V424-L428 VanDerWaalsContact O-CB 3.24Å; V424-L428 WeakPolarHBondContact O-CB 3.46Å; V424-L428 PolarHBondContact O-N 2.86Å; L428-N432 VanDerWaalsContact O-CB 3.23Å; L428-N432 WeakPolarHBondContact O-CB 3.15Å; L428-N432 PolarHBondContact O-N 2.9Å
429	K	78.9	Confident	73.1	Confident	135 Å²	135	98.6 Å²	98.6	59%	0.587	56%	0.559	S	S	*	*	H	α-helix	trans	-67.7	-37.9	171.6	-179.5	179.8	176.7	-174.8	0	113.1	E425 Q426 E427 N432 E433	E425-K429 WeakPolarHBondContact O-CB 3.4Å; E425-K429 PolarHBondContact O-N 2.8Å; Q426-K429 PolarHBondContact O-N 2.73Å; E427-K429 VanDerWaalsContact C-N 3.26Å; E427-K429 PolarHBondContact O-N 3.36Å; K429-N432 PolarHBondContact O-N 2.82Å; K429-E433 PolarHBondContact O-N 2.88Å; K429-E433 VanDerWaalsContact O-N 3.11Å
430	M	80.4	Confident	75.3	Confident	106 Å²	106	101 Å²	101	52%	0.522	56%	0.557	S	S	.	*	H	α-helix	trans	-66.9	-47.5	174.4	-70	-174.5	-61.6	0	0	111.2	Q426 E427 N432 E433 E434	Q426-M430 WeakPolarHBondContact O-CG 3.22Å; Q426-M430 PolarHBondContact O-N 3.1Å; E427-M430 HydrophobicContact CG-CE 4.4Å; E427-M430 PolarHBondContact O-N 2.81Å; E427-M430 VanDerWaalsContact O-N 3.11Å; M430-N432 PolarHBondContact O-N 3.3Å; M430-E433 WeakPolarHBondContact O-CA 3.45Å; M430-E433 WeakPolarHBondContact O-CB 3.5Å; M430-E433 PolarHBondContact O-N 3.47Å; M430-E434 PolarHBondContact O-N 2.85Å
431	L	82.6	Confident	77.1	Confident	102 Å²	102	101.1 Å²	101.1	53%	0.534	54%	0.536	S	S	.	.	H	α-helix	trans	-57.6	-36.3	174.1	-78.4	163.3	0	0	0	112.8	E427 E433 L435	E427-L431 PolarHBondContact O-N 3.37Å; L431-E433 VanDerWaalsContact C-N 3.3Å; L431-L435 WeakPolarHBondContact O-CB 3.2Å; L431-L435 WeakPolarHBondContact O-CG 3.27Å; L431-L435 PolarHBondContact O-N 3.1Å
432	N	84.3	Confident	78.7	Confident	81 Å²	81	102.1 Å²	102.1	43%	0.433	54%	0.536	S	S	.	.	H	α-helix	trans	-79.2	-10.2	176.7	-160	18.9	0	0	0	113.4	L428 K429 M430 R436	L428-N432 VanDerWaalsContact O-CB 3.23Å; L428-N432 WeakPolarHBondContact O-CB 3.15Å; L428-N432 PolarHBondContact O-N 2.9Å; K429-N432 PolarHBondContact O-N 2.82Å; M430-N432 PolarHBondContact O-N 3.3Å; N432-R436 PolarHBondContact O-NE 3.31Å
433	E	84.8	Confident	80.4	Confident	109 Å²	109	103.4 Å²	103.4	51%	0.509	53%	0.528	S	S	.	.	H	α-helix	trans	-88.7	-41.5	167.3	-159.9	65.6	-156.3	0	0	110.5	K429 M430 L431 L435 R436 S437	K429-E433 PolarHBondContact O-N 2.88Å; K429-E433 VanDerWaalsContact O-N 3.11Å; M430-E433 WeakPolarHBondContact O-CA 3.45Å; M430-E433 WeakPolarHBondContact O-CB 3.5Å; M430-E433 PolarHBondContact O-N 3.47Å; L431-E433 VanDerWaalsContact C-N 3.3Å; E433-L435 PolarHBondContact O-N 2.9Å; E433-R436 CarbonylContact O-C 3.6Å; E433-R436 WeakPolarHBondContact O-CA 3.21Å; E433-R436 PolarHBondContact O-N 2.92Å; E433-R436 IonicContact OE2-CZ 3.17Å; E433-R436 VanDerWaalsContact OE2-CZ 3.3Å; E433-R436 IonicContact OE2-NE 2.88Å; E433-R436 IonicContact OE2-NH2 2.65Å; E433-R436 PolarHBondContact OE2-NH2 3.27Å; E433-S437 PolarHBondContact O-N 3.07Å
434	E	85.2	Confident	81.6	Confident	114 Å²	114	104.5 Å²	104.5	53%	0.533	53%	0.528	S	S	.	.	H	α-helix	trans	-59.7	-42.6	171.9	-69.6	-175.3	162.6	0	0	112.2	M430 R436 S437 I438	M430-E434 PolarHBondContact O-N 2.85Å; E434-R436 PolarHBondContact O-N 3.4Å; E434-S437 WeakPolarHBondContact CA-OG 3.39Å; E434-S437 PolarHBondContact O-N 2.82Å; E434-S437 PolarHBondContact O-OG 3.24Å; E434-I438 WeakPolarHBondContact O-CB 3.41Å; E434-I438 WeakPolarHBondContact O-CD1 3.29Å; E434-I438 WeakPolarHBondContact O-CG1 3.43Å; E434-I438 PolarHBondContact O-N 3.44Å
435	L	86.3	Confident	82.6	Confident	114 Å²	114	104.4 Å²	104.4	60%	0.597	52%	0.523	S	S	*	.	H	α-helix	trans	-59.3	-33.6	173.4	-80.9	166	0	0	0	112.4	L431 E433 E439	L431-L435 WeakPolarHBondContact O-CB 3.2Å; L431-L435 WeakPolarHBondContact O-CG 3.27Å; L431-L435 PolarHBondContact O-N 3.1Å; E433-L435 PolarHBondContact O-N 2.9Å; L435-E439 WeakPolarHBondContact O-CB 3.38Å; L435-E439 PolarHBondContact O-N 2.88Å
436	R	80.1	Confident	83.2	Confident	115 Å²	115	102.8 Å²	102.8	43%	0.434	52%	0.516	S	S	.	.	H	α-helix	trans	-81	-32.9	177.9	-76.1	-176.2	-72.3	173.8	2.7	113	N432 E433 E434 E439 L440	N432-R436 PolarHBondContact O-NE 3.31Å; E433-R436 CarbonylContact O-C 3.6Å; E433-R436 WeakPolarHBondContact O-CA 3.21Å; E433-R436 PolarHBondContact O-N 2.92Å; E433-R436 IonicContact OE2-CZ 3.17Å; E433-R436 VanDerWaalsContact OE2-CZ 3.3Å; E433-R436 IonicContact OE2-NE 2.88Å; E433-R436 IonicContact OE2-NH2 2.65Å; E433-R436 PolarHBondContact OE2-NH2 3.27Å; E434-R436 PolarHBondContact O-N 3.4Å; R436-E439 PolarHBondContact O-N 3.46Å; R436-L440 WeakPolarHBondContact O-CB 3.35Å; R436-L440 VanDerWaalsContact O-CG 3.25Å; R436-L440 WeakPolarHBondContact O-CG 3.43Å; R436-L440 PolarHBondContact O-N 2.93Å
437	S	85.9	Confident	83.7	Confident	67 Å²	67	102.7 Å²	102.7	47%	0.469	52%	0.516	S	S	.	.	H	α-helix	trans	-67	-42.6	171.5	65.8	0	0	0	0	111.1	E433 E434 E439 L440 E441	E433-S437 PolarHBondContact O-N 3.07Å; E434-S437 WeakPolarHBondContact CA-OG 3.39Å; E434-S437 PolarHBondContact O-N 2.82Å; E434-S437 PolarHBondContact O-OG 3.24Å; S437-E439 PolarHBondContact O-N 2.89Å; S437-L440 PolarHBondContact O-N 3.07Å; S437-E441 WeakPolarHBondContact O-CB 3.45Å; S437-E441 PolarHBondContact O-N 3.12Å
438	I	84	Confident	83.7	Confident	91 Å²	91	99.4 Å²	99.4	47%	0.467	51%	0.509	S	S	.	.	H	α-helix	trans	-61.7	-41.8	173.4	-66.4	165.7	0	0	0	110.9	E434 E441 C442	E434-I438 WeakPolarHBondContact O-CB 3.41Å; E434-I438 WeakPolarHBondContact O-CD1 3.29Å; E434-I438 WeakPolarHBondContact O-CG1 3.43Å; E434-I438 PolarHBondContact O-N 3.44Å; I438-E441 PolarHBondContact O-N 3.39Å; I438-C442 WeakPolarHBondContact O-CB 3.4Å; I438-C442 PolarHBondContact O-N 3.22Å; I438-C442 PolarHBondContact O-SG 2.86Å
439	E	86.6	Confident	83.9	Confident	108 Å²	108	100.1 Å²	100.1	51%	0.505	51%	0.509	S	S	.	.	H	α-helix	trans	-62.9	-45.7	175.5	-162.5	-164.9	153.9	0	0	111.6	L435 R436 S437 E441 C442 Q443	L435-E439 WeakPolarHBondContact O-CB 3.38Å; L435-E439 PolarHBondContact O-N 2.88Å; R436-E439 PolarHBondContact O-N 3.46Å; S437-E439 PolarHBondContact O-N 2.89Å; E439-E441 PolarHBondContact O-N 2.89Å; E439-C442 PolarHBondContact O-N 2.87Å; E439-Q443 WeakPolarHBondContact O-CB 3.22Å; E439-Q443 VanDerWaalsContact O-CG 3.32Å; E439-Q443 WeakPolarHBondContact O-CG 3.31Å; E439-Q443 PolarHBondContact O-N 2.92Å; E439-Q443 PolarHBondContact OE1-NE2 3.29Å
440	L	87.4	Confident	84	Confident	114 Å²	114	99.1 Å²	99.1	60%	0.597	51%	0.507	S	S	*	.	H	α-helix	trans	-64.3	-38	178	-73	169	0	0	0	112.4	R436 S437 Q443 S444	R436-L440 WeakPolarHBondContact O-CB 3.35Å; R436-L440 VanDerWaalsContact O-CG 3.25Å; R436-L440 WeakPolarHBondContact O-CG 3.43Å; R436-L440 PolarHBondContact O-N 2.93Å; S437-L440 PolarHBondContact O-N 3.07Å; L440-Q443 PolarHBondContact O-N 3.3Å; L440-S444 VanDerWaalsContact O-CB 3.31Å; L440-S444 WeakPolarHBondContact O-CB 3.3Å; L440-S444 PolarHBondContact O-N 2.91Å
441	E	83.8	Confident	83.9	Confident	122 Å²	122	99.3 Å²	99.3	57%	0.57	51%	0.51	S	S	*	.	H	α-helix	trans	-64.4	-46.8	172.5	-172.7	178	-173.3	0	0	111.2	S437 I438 E439 Q443 S444 I445	S437-E441 WeakPolarHBondContact O-CB 3.45Å; S437-E441 PolarHBondContact O-N 3.12Å; I438-E441 PolarHBondContact O-N 3.39Å; E439-E441 PolarHBondContact O-N 2.89Å; E441-Q443 VanDerWaalsContact C-N 3.32Å; E441-Q443 PolarHBondContact O-N 3.31Å; E441-S444 WeakPolarHBondContact O-CB 3.36Å; E441-S444 PolarHBondContact O-N 3.42Å; E441-S444 VanDerWaalsContact O-N 3.11Å; E441-I445 HydrophobicContact CG-CD1 3.96Å; E441-I445 WeakPolarHBondContact O-CG1 3.49Å; E441-I445 PolarHBondContact O-N 2.95Å
442	C	78.3	Confident	83.4	Confident	65 Å²	65	103.6 Å²	103.6	44%	0.439	52%	0.519	S	S	.	.	H	α-helix	trans	-58.7	-43.6	175.1	-68.9	0	0	0	0	111.7	I438 E439 I445 M446	I438-C442 WeakPolarHBondContact O-CB 3.4Å; I438-C442 PolarHBondContact O-N 3.22Å; I438-C442 PolarHBondContact O-SG 2.86Å; E439-C442 PolarHBondContact O-N 2.87Å; C442-I445 PolarHBondContact O-N 3Å; C442-M446 WeakPolarHBondContact O-CB 3.48Å; C442-M446 VanDerWaalsContact O-CG 3.31Å; C442-M446 WeakPolarHBondContact O-CG 3.17Å; C442-M446 PolarHBondContact O-N 2.87Å
443	Q	84.8	Confident	82.9	Confident	80 Å²	80	106 Å²	106	37%	0.374	53%	0.525	S	S	.	.	H	α-helix	trans	-63.6	-40.6	174.9	-71.7	-175	29.1	0	0	111.7	E439 L440 E441 M446 Q447	E439-Q443 WeakPolarHBondContact O-CB 3.22Å; E439-Q443 VanDerWaalsContact O-CG 3.32Å; E439-Q443 WeakPolarHBondContact O-CG 3.31Å; E439-Q443 PolarHBondContact O-N 2.92Å; E439-Q443 PolarHBondContact OE1-NE2 3.29Å; L440-Q443 PolarHBondContact O-N 3.3Å; E441-Q443 VanDerWaalsContact C-N 3.32Å; E441-Q443 PolarHBondContact O-N 3.31Å; Q443-M446 PolarHBondContact O-N 3.46Å; Q443-Q447 WeakPolarHBondContact O-CB 3.25Å; Q443-Q447 VanDerWaalsContact O-CG 3.28Å; Q443-Q447 WeakPolarHBondContact O-CG 3.49Å; Q443-Q447 PolarHBondContact O-N 2.89Å
444	S	88.7	Confident	82	Confident	72 Å²	72	104 Å²	104	50%	0.503	52%	0.523	S	S	.	.	H	α-helix	trans	-62.4	-47.1	176	-175.4	0	0	0	0	111.8	L440 E441 M446 Q447 A448	L440-S444 VanDerWaalsContact O-CB 3.31Å; L440-S444 WeakPolarHBondContact O-CB 3.3Å; L440-S444 PolarHBondContact O-N 2.91Å; E441-S444 WeakPolarHBondContact O-CB 3.36Å; E441-S444 PolarHBondContact O-N 3.42Å; E441-S444 VanDerWaalsContact O-N 3.11Å; S444-M446 PolarHBondContact O-N 2.82Å; S444-Q447 PolarHBondContact O-N 3.36Å; S444-A448 WeakPolarHBondContact O-CB 3.47Å; S444-A448 PolarHBondContact O-N 2.85Å
445	I	88.1	Confident	81	Confident	102 Å²	102	104.2 Å²	104.2	52%	0.523	52%	0.524	S	S	.	.	H	α-helix	trans	-60.8	-43.8	175.3	-67.5	166.1	0	0	0	110.7	E441 C442 A448 H449	E441-I445 HydrophobicContact CG-CD1 3.96Å; E441-I445 WeakPolarHBondContact O-CG1 3.49Å; E441-I445 PolarHBondContact O-N 2.95Å; C442-I445 PolarHBondContact O-N 3Å; I445-A448 PolarHBondContact O-N 3.31Å; I445-H449 WeakPolarHBondContact O-CB 3.43Å; I445-H449 PolarHBondContact O-N 3.15Å
446	M	85.4	Confident	79.6	Confident	118 Å²	118	105.7 Å²	105.7	58%	0.581	53%	0.528	S	S	*	.	H	α-helix	trans	-63.1	-40.8	175.7	-75.4	179.6	67.3	0	0	112.5	C442 Q443 S444 H449 Q450	C442-M446 WeakPolarHBondContact O-CB 3.48Å; C442-M446 VanDerWaalsContact O-CG 3.31Å; C442-M446 WeakPolarHBondContact O-CG 3.17Å; C442-M446 PolarHBondContact O-N 2.87Å; Q443-M446 PolarHBondContact O-N 3.46Å; S444-M446 PolarHBondContact O-N 2.82Å; M446-H449 PolarHBondContact O-N 3.43Å; M446-Q450 WeakPolarHBondContact O-CB 3.44Å; M446-Q450 VanDerWaalsContact O-CG 3.29Å; M446-Q450 WeakPolarHBondContact O-CG 3.45Å; M446-Q450 PolarHBondContact O-N 2.8Å
447	Q	80.8	Confident	78.3	Confident	112 Å²	112	105.5 Å²	105.5	52%	0.523	54%	0.535	S	S	.	.	H	α-helix	trans	-67.1	-43.4	175.7	-73.5	175.4	44.4	0	0	111.6	Q443 S444 H449 Q450 L451	Q443-Q447 WeakPolarHBondContact O-CB 3.25Å; Q443-Q447 VanDerWaalsContact O-CG 3.28Å; Q443-Q447 WeakPolarHBondContact O-CG 3.49Å; Q443-Q447 PolarHBondContact O-N 2.89Å; S444-Q447 PolarHBondContact O-N 3.36Å; Q447-H449 VanDerWaalsContact C-N 3.33Å; Q447-H449 PolarHBondContact O-N 2.71Å; Q447-Q450 PolarHBondContact O-N 3.11Å; Q447-L451 WeakPolarHBondContact O-CB 3.46Å; Q447-L451 WeakPolarHBondContact O-CG 3.37Å; Q447-L451 PolarHBondContact O-N 3.21Å
448	A	83.1	Confident	76.5	Confident	51 Å²	51	109 Å²	109	42%	0.421	54%	0.544	S	S	.	.	H	α-helix	trans	-61.7	-39.5	175.2	0	0	0	0	0	112.2	S444 I445 L451 R452	S444-A448 WeakPolarHBondContact O-CB 3.47Å; S444-A448 PolarHBondContact O-N 2.85Å; I445-A448 PolarHBondContact O-N 3.31Å; A448-L451 PolarHBondContact O-N 3.05Å; A448-R452 PolarHBondContact O-N 3.46Å
449	H	83.3	Confident	74.7	Confident	124 Å²	124	113 Å²	113	57%	0.574	56%	0.561	S	S	*	*	H	α-helix	trans	-67.5	-40	174.1	-177.2	-104.4	0	0	0	112.3	I445 M446 Q447 K453	I445-H449 WeakPolarHBondContact O-CB 3.43Å; I445-H449 PolarHBondContact O-N 3.15Å; M446-H449 PolarHBondContact O-N 3.43Å; Q447-H449 VanDerWaalsContact C-N 3.33Å; Q447-H449 PolarHBondContact O-N 2.71Å; H449-K453 WeakPolarHBondContact O-CB 3.43Å; H449-K453 PolarHBondContact O-N 3.25Å
450	Q	80.3	Confident	72.7	Confident	115 Å²	115	111.9 Å²	111.9	54%	0.537	57%	0.565	S	S	.	*	H	α-helix	trans	-63.1	-44.1	172.1	-74	176	30	0	0	111.8	M446 Q447 K453 S454	M446-Q450 WeakPolarHBondContact O-CB 3.44Å; M446-Q450 VanDerWaalsContact O-CG 3.29Å; M446-Q450 WeakPolarHBondContact O-CG 3.45Å; M446-Q450 PolarHBondContact O-N 2.8Å; Q447-Q450 PolarHBondContact O-N 3.11Å; Q450-K453 PolarHBondContact O-N 3.4Å; Q450-S454 PolarHBondContact O-N 2.61Å; Q450-S454 PolarHBondContact O-OG 2.85Å; Q450-S454 VanDerWaalsContact O-OG 3.13Å
451	L	77.9	Confident	70.7	Confident	110 Å²	110	114.3 Å²	114.3	58%	0.576	57%	0.573	S	S	*	*	H	α-helix	trans	-62.7	-43.5	176.8	-73.2	169.1	0	0	0	112	Q447 A448 K453 S454 Q455	Q447-L451 WeakPolarHBondContact O-CB 3.46Å; Q447-L451 WeakPolarHBondContact O-CG 3.37Å; Q447-L451 PolarHBondContact O-N 3.21Å; A448-L451 PolarHBondContact O-N 3.05Å; L451-K453 VanDerWaalsContact C-N 3.33Å; L451-K453 PolarHBondContact O-N 2.8Å; L451-S454 PolarHBondContact O-N 2.93Å; L451-Q455 WeakPolarHBondContact O-CB 3.32Å; L451-Q455 WeakPolarHBondContact O-CG 3.22Å; L451-Q455 PolarHBondContact O-N 2.89Å
452	R	73.6	Confident	68.4	Low	192 Å²	192	113.5 Å²	113.5	73%	0.725	58%	0.58	S	S	*	*	H	α-helix	trans	-59.4	-43.1	171.9	-78.7	-172.8	176.3	-166	1.3	111.7	A448 S454 Q455 Q456	A448-R452 PolarHBondContact O-N 3.46Å; R452-S454 PolarHBondContact O-N 3.44Å; R452-Q455 PolarHBondContact O-N 3.4Å; R452-Q456 VanDerWaalsContact O-CB 3.31Å; R452-Q456 WeakPolarHBondContact O-CB 3.31Å; R452-Q456 PolarHBondContact O-N 3.28Å
453	K	72.9	Confident	66.6	Low	132 Å²	132	115.5 Å²	115.5	57%	0.574	60%	0.602	S	S	*	*	H	α-helix	trans	-65.9	-35.2	178.2	-168.7	172.5	-176.9	175.2	0	112.8	H449 Q450 L451 L457	H449-K453 WeakPolarHBondContact O-CB 3.43Å; H449-K453 PolarHBondContact O-N 3.25Å; Q450-K453 PolarHBondContact O-N 3.4Å; L451-K453 VanDerWaalsContact C-N 3.33Å; L451-K453 PolarHBondContact O-N 2.8Å; K453-L457 PolarHBondContact O-N 2.93Å
454	S	66.1	Low	64.5	Low	66 Å²	66	117.4 Å²	117.4	46%	0.462	62%	0.621	S	S	.	*	H	α-helix	trans	-68.5	-47.9	172.3	-63	0	0	0	0	111.7	Q450 L451 R452 Q456 L457 E458	Q450-S454 PolarHBondContact O-N 2.61Å; Q450-S454 PolarHBondContact O-OG 2.85Å; Q450-S454 VanDerWaalsContact O-OG 3.13Å; L451-S454 PolarHBondContact O-N 2.93Å; R452-S454 PolarHBondContact O-N 3.44Å; S454-Q456 VanDerWaalsContact C-N 3.26Å; S454-Q456 PolarHBondContact O-N 3.46Å; S454-L457 CarbonylContact O-C 3.52Å; S454-L457 WeakPolarHBondContact O-CA 3.5Å; S454-L457 WeakPolarHBondContact O-CB 3.32Å; S454-L457 PolarHBondContact O-N 2.88Å; S454-E458 PolarHBondContact O-N 3.23Å
455	Q	63.8	Low	61.6	Low	119 Å²	119	120.2 Å²	120.2	56%	0.556	64%	0.639	S	S	*	*	H	α-helix	trans	-60.1	-36	175.8	-73.1	175	-0.5	0	0	112.2	L451 R452 L457 E458 Q459	L451-Q455 WeakPolarHBondContact O-CB 3.32Å; L451-Q455 WeakPolarHBondContact O-CG 3.22Å; L451-Q455 PolarHBondContact O-N 2.89Å; R452-Q455 PolarHBondContact O-N 3.4Å; Q455-L457 VanDerWaalsContact C-N 3.3Å; Q455-L457 PolarHBondContact O-N 2.81Å; Q455-E458 PolarHBondContact O-N 3.35Å; Q455-Q459 WeakPolarHBondContact O-CB 3.28Å; Q455-Q459 WeakPolarHBondContact O-CG 3.42Å; Q455-Q459 PolarHBondContact O-N 3.48Å
456	Q	56.4	Low	59	Low	145 Å²	145	120.9 Å²	120.9	68%	0.678	65%	0.653	S	S	*	*	H	α-helix	trans	-69.5	-26	175	-164.9	173.7	28	0	0	112.7	R452 S454	R452-Q456 VanDerWaalsContact O-CB 3.31Å; R452-Q456 WeakPolarHBondContact O-CB 3.31Å; R452-Q456 PolarHBondContact O-N 3.28Å; S454-Q456 VanDerWaalsContact C-N 3.26Å; S454-Q456 PolarHBondContact O-N 3.46Å
457	L	52.9	Low	56.8	Low	111 Å²	111	121.4 Å²	121.4	58%	0.581	67%	0.665	S	S	*	*	H	α-helix	trans	-75	-45.5	166.7	-106.2	74.3	0	0	0	111.6	K453 S454 Q455 Q459 S460	K453-L457 PolarHBondContact O-N 2.93Å; S454-L457 CarbonylContact O-C 3.52Å; S454-L457 WeakPolarHBondContact O-CA 3.5Å; S454-L457 WeakPolarHBondContact O-CB 3.32Å; S454-L457 PolarHBondContact O-N 2.88Å; Q455-L457 VanDerWaalsContact C-N 3.3Å; Q455-L457 PolarHBondContact O-N 2.81Å; L457-Q459 PolarHBondContact O-N 2.85Å; L457-S460 WeakPolarHBondContact O-CB 3.08Å; L457-S460 PolarHBondContact O-N 2.67Å; L457-S460 PolarHBondContact O-OG 2.66Å
458	E	49	Very low	54.3	Low	141 Å²	141	119.2 Å²	119.2	66%	0.659	67%	0.673	S	S	*	*	H	α-helix	trans	-66	-36.4	-177.7	-69.9	-173.5	136	0	0	112.7	S454 Q455 S460 Q461	S454-E458 PolarHBondContact O-N 3.23Å; Q455-E458 PolarHBondContact O-N 3.35Å; E458-S460 PolarHBondContact O-N 2.82Å; E458-S460 VanDerWaalsContact O-N 3.07Å; E458-Q461 PolarHBondContact O-N 2.71Å
459	Q	46.5	Very low	51.8	Low	175 Å²	175	123.3 Å²	123.3	82%	0.818	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.7	-15.9	171.3	-78.7	-173	-9.2	0	0	113.8	Q455 L457	Q455-Q459 WeakPolarHBondContact O-CB 3.28Å; Q455-Q459 WeakPolarHBondContact O-CG 3.42Å; Q455-Q459 PolarHBondContact O-N 3.48Å; L457-Q459 PolarHBondContact O-N 2.85Å
460	S	44.6	Very low	49.2	Very low	84 Å²	84	124 Å²	124	59%	0.587	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-7.5	172.6	77.2	0	0	0	0	114.4	L457 E458	L457-S460 WeakPolarHBondContact O-CB 3.08Å; L457-S460 PolarHBondContact O-N 2.67Å; L457-S460 PolarHBondContact O-OG 2.66Å; E458-S460 PolarHBondContact O-N 2.82Å; E458-S460 VanDerWaalsContact O-N 3.07Å
461	Q	45.3	Very low	46.9	Very low	165 Å²	165	127.5 Å²	127.5	77%	0.771	72%	0.717	S	S	*	*	S	Bend	trans	-138.9	35.2	-168.4	-71.5	-169.6	59.6	0	0	116.3	E458	E458-Q461 PolarHBondContact O-N 2.71Å
462	S	35.3	Very low	44.7	Very low	104 Å²	104	131.2 Å²	131.2	73%	0.727	73%	0.728	S	S	*	*			trans	-147.3	98.9	161.5	70.5	0	0	0	0	115.4
463	A	40.6	Very low	42.6	Very low	107 Å²	107	129.3 Å²	129.3	88%	0.884	74%	0.739	S	S	*	*			trans	-149.9	95.8	158	0	0	0	0	0	112
464	P	40.9	Very low	40.6	Very low	120 Å²	120	126.3 Å²	126.3	78%	0.779	75%	0.745	S	S	*	*			trans	-122.7	150.6	164.1	33.3	-18.7	0	0	0	113.3
465	C	26.7	Very low	39	Very low	131 Å²	131	132.2 Å²	132.2	89%	0.885	77%	0.765	S	S	*	*			trans	-81.2	160.8	179	-68.3	0	0	0	0	114.1
466	S	34	Very low	37.5	Very low	117 Å²	117	135.9 Å²	135.9	82%	0.818	78%	0.779	S	S	*	*			trans	-56.3	155	167.8	-35.5	0	0	0	0	113
467	P	38.7	Very low	36.4	Very low	129 Å²	129	139.4 Å²	139.4	84%	0.838	79%	0.787	S	S	*	*				-134.8	176.7	73.4	37.8	-23.8	0	0	0	113.2
468	G	29.2	Very low	35.4	Very low	66 Å²	66	142.3 Å²	142.3	68%	0.68	80%	0.797	S	S	*	*			cis	127.2	107.7	-4.5	0	0	0	0	0	114
469	T	30.5	Very low	34.5	Very low	137 Å²	137	137.7 Å²	137.7	84%	0.84	79%	0.787	S	S	*	*			trans	-177	140	150.3	-79.1	0	0	0	0	112.8
470	N	28.3	Very low	33.8	Very low	138 Å²	138	140.2 Å²	140.2	74%	0.738	79%	0.789	S	S	*	*			trans	-30.3	151.9	171.1	-64.7	-78.6	0	0	0	118.4
471	Q	31.3	Very low	33.3	Very low	189 Å²	189	143.4 Å²	143.4	88%	0.883	80%	0.799	S	S	*	*				-160.4	161.4	75.5	-87.2	-174.4	60.7	0	0	117.5
472	K	32.5	Very low	32.6	Very low	187 Å²	187	139 Å²	139	81%	0.813	79%	0.79	S	S	*	*			trans	-60.5	135	-164.8	-57.7	156.7	176.9	172.1	0	118.1
473	T	30	Very low	32.4	Very low	153 Å²	153	140.6 Å²	140.6	94%	0.939	79%	0.791	S	S	*	*			trans	166.4	167.6	130.8	31.5	0	0	0	0	111.3
474	G	29.5	Very low	32.1	Very low	69 Å²	69	142 Å²	142	71%	0.711	78%	0.782	S	S	*	*			cis	178.7	156.8	-9.9	0	0	0	0	0	115.6
475	Q	32.1	Very low	31.6	Very low	189 Å²	189	144.1 Å²	144.1	88%	0.883	78%	0.781	S	S	*	*			trans	38	109.4	161.5	-60.4	-163.8	3.7	0	0	124.3
476	K	33.6	Very low	31.8	Very low	196 Å²	196	145.7 Å²	145.7	85%	0.852	78%	0.775	S	S	*	*				21	133.1	129.5	-55.7	177.1	179.8	179.3	0	121.1
477	R	33	Very low	31.8	Very low	220 Å²	220	150.3 Å²	150.3	83%	0.83	78%	0.777	S	S	*	*				-175.9	174.4	100.4	-102	-168.8	-172.8	-114.2	3.1	115.5
478	H	31.8	Very low	32.1	Very low	172 Å²	172	149.1 Å²	149.1	80%	0.796	77%	0.769	S	S	*	*			trans	-80.8	171.3	-173.5	-56.2	-103	0	0	0	114.6
479	G	31.1	Very low	32.1	Very low	44 Å²	44	152.8 Å²	152.8	45%	0.454	77%	0.768	S	S	.	*			trans	176.1	104	163.8	0	0	0	0	0	111.4	R605	G479-R605 VanDerWaalsContact O-CZ 3.32Å; G479-R605 PolarHBondContact O-NH1 3.4Å; G479-R605 PolarHBondContact O-NH2 2.89Å
480	R	30.4	Very low	32.1	Very low	228 Å²	228	155.6 Å²	155.6	86%	0.86	76%	0.763	S	S	*	*			trans	-111.8	166.8	-173.1	-166.6	-167.8	-168.1	-170.4	4.7	109.2
481	L	34	Very low	32.2	Very low	151 Å²	151	154.5 Å²	154.5	79%	0.791	77%	0.766	S	S	*	*			trans	81.6	150.3	169.6	-52.3	175.5	0	0	0	114.7
482	A	30.6	Very low	32.1	Very low	72 Å²	72	152.8 Å²	152.8	60%	0.595	76%	0.763	S	S	*	*			cis	-166.2	-168.8	-20	0	0	0	0	0	110.6
483	D	32.2	Very low	31.9	Very low	137 Å²	137	149.4 Å²	149.4	73%	0.733	76%	0.763	S	S	*	*			trans	91.7	104.6	162.2	-50.4	-15.3	0	0	0	115.1
484	I	32.9	Very low	32.1	Very low	138 Å²	138	149.3 Å²	149.3	71%	0.708	76%	0.757	S	S	*	*				76.5	127.9	76.3	-67.4	160.2	0	0	0	109.6
485	H	31.9	Very low	32.2	Very low	164 Å²	164	156.6 Å²	156.6	76%	0.759	76%	0.763	S	S	*	*			cis	-125.5	137.9	27.7	-117.4	-94.1	0	0	0	109.8
486	E	29.9	Very low	32.4	Very low	163 Å²	163	153.4 Å²	153.4	76%	0.762	76%	0.756	S	S	*	*			cis	85.5	125.3	45.9	-168.2	161	-118.1	0	0	115
487	Y	34.3	Very low	32.5	Very low	215 Å²	215	154.3 Å²	154.3	84%	0.843	75%	0.754	S	S	*	*			trans	-78.9	176.9	-178	-79.7	-108.4	0	0	0	112.4
488	P	43.9	Very low	32.5	Very low	104 Å²	104	151 Å²	151	68%	0.675	75%	0.748	S	S	*	*				-142.7	137.4	103.2	34.8	-18.6	0	0	0	114.7
489	E	29.4	Very low	32.9	Very low	142 Å²	142	151.4 Å²	151.4	66%	0.664	75%	0.747	S	S	*	*				71	154.6	99.9	-55.6	178.6	143.5	0	0	115.4
490	R	31.1	Very low	32.8	Very low	197 Å²	197	156.2 Å²	156.2	74%	0.743	76%	0.763	S	S	*	*			cis	-131.4	179	6.3	-84.5	95.2	-163.7	-76.5	-9.5	108.8
491	S	31.5	Very low	33	Very low	114 Å²	114	150.2 Å²	150.2	80%	0.797	76%	0.756	S	S	*	*			cis	-152.8	159.1	22.1	-37.1	0	0	0	0	113.4
492	D	28.5	Very low	32.9	Very low	154 Å²	154	148.8 Å²	148.8	82%	0.824	76%	0.758	S	S	*	*			trans	-89.3	-176.7	-178.6	-66	-86.7	0	0	0	116
493	S	28.8	Very low	33.2	Very low	115 Å²	115	149.6 Å²	149.6	80%	0.804	76%	0.76	S	S	*	*			trans	98.8	135.1	167.8	71.6	0	0	0	0	116.5
494	D	32.9	Very low	33.3	Very low	152 Å²	152	147 Å²	147	81%	0.813	76%	0.758	S	S	*	*			cis	-134.6	174.5	8.7	-138.8	-32.2	0	0	0	115.1
495	R	32.2	Very low	33.2	Very low	222 Å²	222	146.5 Å²	146.5	84%	0.838	75%	0.748	S	S	*	*			trans	-88.6	161.2	-163.8	-61.5	166.3	168.7	176.5	-2.9	114.4
496	V	36.1	Very low	33.5	Very low	121 Å²	121	143 Å²	143	73%	0.733	73%	0.734	S	S	*	*				167.4	126.7	110.4	156.6	0	0	0	0	113.7
497	R	35.7	Very low	33.7	Very low	216 Å²	216	138.7 Å²	138.7	82%	0.815	72%	0.719	S	S	*	*			trans	71.3	101.3	152.3	-164.9	164.7	59.3	-147	-0.5	120.7
498	E	33.3	Very low	33.8	Very low	150 Å²	150	132.8 Å²	132.8	70%	0.701	72%	0.715	S	S	*	*				30.8	136.1	117.8	-56.8	-174.9	-165.7	0	0	119.7
499	K	39.9	Very low	33.3	Very low	180 Å²	180	136 Å²	136	78%	0.783	72%	0.721	S	S	*	*				-166.3	149.7	68.6	-151.8	72.9	170.5	-171.7	0	113
500	D	29.7	Very low	33.7	Very low	145 Å²	145	133.9 Å²	133.9	78%	0.775	72%	0.722	S	S	*	*			trans	-93.4	147.4	-177.7	-97.6	-63.1	0	0	0	116.3
501	S	33.5	Very low	34	Very low	102 Å²	102	128.8 Å²	128.8	71%	0.713	72%	0.722	S	S	*	*			trans	42.4	127.4	136.9	-61.6	0	0	0	0	122.6
502	S	33.5	Very low	33.9	Very low	121 Å²	121	134.5 Å²	134.5	85%	0.846	73%	0.726	S	S	*	*			trans	172.9	172.9	132.6	-86.2	0	0	0	0	115
503	S	36.4	Very low	34.2	Very low	90 Å²	90	131.8 Å²	131.8	63%	0.629	72%	0.719	S	S	*	*				-172.4	112.2	-88	56.5	0	0	0	0	114.8	K597	S503-K597 PolarHBondContact O-NZ 2.74Å
504	A	33.5	Very low	34.4	Very low	83 Å²	83	132.6 Å²	132.6	69%	0.686	72%	0.719	S	S	*	*			trans	59.3	152.9	152.7	0	0	0	0	0	122.6	K597	A504-K597 WeakPolarHBondContact O-CE 3.36Å; A504-K597 PolarHBondContact O-NZ 2.81Å
505	Y	30.5	Very low	35.1	Very low	127 Å²	127	130.3 Å²	130.3	50%	0.498	71%	0.713	S	S	.	*			trans	-166.6	-177.8	136.8	-109.3	-58.9	0	0	0	111.2	C595 D596 K597	Y505-C595 WeakPolarHBondContact CD1-SG 3.31Å; Y505-C595 HydrophobicContact CE1-CB 4.16Å; Y505-C595 WeakPolarHBondContact CE1-SG 3.11Å; Y505-D596 PolarHBondContact OH-OD1 2.95Å; Y505-K597 HydrophobicContact CD1-CD 4.14Å; Y505-K597 HydrophobicContact CD1-CG 3.97Å; Y505-K597 HydrophobicContact CD2-CD 4.18Å; Y505-K597 VanDerWaalsContact CD2-CE 3.46Å; Y505-K597 VanDerWaalsContact CD2-NZ 3.27Å; Y505-K597 HydrophobicContact CE1-CB 3.79Å; Y505-K597 HydrophobicContact CE1-CD 3.67Å; Y505-K597 HydrophobicContact CE1-CG 3.42Å; Y505-K597 VanDerWaalsContact CE1-CG 3.42Å; Y505-K597 HydrophobicContact CE2-CD 3.69Å; Y505-K597 HydrophobicContact CE2-CG 4.4Å; Y505-K597 HydrophobicContact CG-CD 4.4Å; Y505-K597 VanDerWaalsContact CZ-CD 3.44Å
506	N	39.4	Very low	35	Very low	89 Å²	89	128.3 Å²	128.3	48%	0.476	72%	0.718	S	S	.	*			trans	-121.4	-179.4	-148	-50.1	-21.2	0	0	0	114.1	D596	N506-D596 PolarHBondContact ND2-O 3.26Å; N506-D596 VanDerWaalsContact ND2-O 3.1Å
507	T	33.6	Very low	34.6	Very low	73 Å²	73	126.4 Å²	126.4	45%	0.448	72%	0.723	S	S	.	*				177.6	167.2	88.1	-63.9	0	0	0	0	112	R594	T507-R594 WeakPolarHBondContact CG2-O 3.22Å
508	A	36.3	Very low	34.3	Very low	92 Å²	92	124.6 Å²	124.6	76%	0.76	73%	0.726	S	S	*	*			trans	-148.5	-175	-178.8	0	0	0	0	0	111.7
509	E	34.3	Very low	33.9	Very low	170 Å²	170	123.9 Å²	123.9	79%	0.794	72%	0.723	S	S	*	*			cis	-159.5	171	14.1	62.6	157.7	66.8	0	0	114.8
510	S	37.8	Very low	33.3	Very low	98 Å²	98	125.2 Å²	125.2	69%	0.685	72%	0.723	S	S	*	*			trans	69.5	133.3	137.4	-162.4	0	0	0	0	124.3
511	A	35.9	Very low	33.4	Very low	90 Å²	90	123.7 Å²	123.7	74%	0.744	72%	0.723	S	S	*	*				164.5	123.9	121.3	0	0	0	0	0	119
512	R	30.6	Very low	34	Very low	235 Å²	235	123.9 Å²	123.9	89%	0.887	72%	0.722	S	S	*	*			trans	44.3	92.6	132.5	-57.8	-173.5	-179.1	-159.1	-0.2	125.6
513	S	33.4	Very low	33.7	Very low	97 Å²	97	124.7 Å²	124.7	68%	0.678	72%	0.717	S	S	*	*				48.6	136.6	109.8	66.4	0	0	0	0	126.6
514	T	33	Very low	33.3	Very low	131 Å²	131	128.6 Å²	128.6	80%	0.804	73%	0.725	S	S	*	*			trans	75.2	164.6	143.5	27.4	0	0	0	0	121.3
515	P	48.4	Very low	33.1	Very low	104 Å²	104	129.3 Å²	129.3	68%	0.675	73%	0.725	S	S	*	*			cis	-142.7	-173.6	-5.8	33.9	-10.1	0	0	0	118.6
516	L	29.1	Very low	33.1	Very low	180 Å²	180	130.4 Å²	130.4	94%	0.942	74%	0.738	S	S	*	*			trans	78.3	145.5	154.7	-57.1	-170	0	0	0	122.2
517	G	27.9	Very low	32.5	Very low	82 Å²	82	132.3 Å²	132.3	85%	0.845	75%	0.745	S	S	*	*			trans	153.1	106.6	164.5	0	0	0	0	0	114
518	M	29.6	Very low	32.2	Very low	177 Å²	177	138.4 Å²	138.4	87%	0.872	76%	0.759	S	S	*	*			trans	-137.1	137.5	177.7	174.2	155.1	64.7	0	0	110.1
519	E	26	Very low	31.6	Very low	135 Å²	135	140.9 Å²	140.9	63%	0.631	76%	0.755	S	S	*	*			trans	163.7	148.4	146	-97.3	-76.4	76.1	0	0	115.4
520	R	27.3	Very low	31.2	Very low	209 Å²	209	139.5 Å²	139.5	79%	0.789	75%	0.752	S	S	*	*			trans	81.6	127.6	152.1	-51	-107.2	155.5	142.7	6.9	123
521	S	30.4	Very low	30.6	Very low	112 Å²	112	139.3 Å²	139.3	78%	0.783	75%	0.751	S	S	*	*			trans	-121.8	-168.4	146.5	-49.2	0	0	0	0	106.8
522	P	47.3	Very low	30.4	Very low	106 Å²	106	142 Å²	142	69%	0.688	75%	0.751	S	S	*	*			cis	-143.2	-178	-1.2	42.6	-22.5	0	0	0	117.4
523	D	27.9	Very low	30.4	Very low	138 Å²	138	137.7 Å²	137.7	74%	0.738	75%	0.751	S	S	*	*			trans	77.1	160.8	138.3	-89.2	-49.6	0	0	0	127.1
524	H	28	Very low	30.2	Very low	173 Å²	173	139.4 Å²	139.4	80%	0.801	75%	0.752	S	S	*	*			trans	80.8	119.2	177.2	-52.5	-73.6	0	0	0	117
525	S	28.9	Very low	30.5	Very low	98 Å²	98	140.4 Å²	140.4	69%	0.685	75%	0.748	S	S	*	*			cis	83.5	136.8	27.4	-154.8	0	0	0	0	113.8
526	L	30.6	Very low	29.7	Very low	149 Å²	149	144.8 Å²	144.8	78%	0.78	76%	0.756	S	S	*	*			cis	-123.2	-134.8	24.4	-63.2	144.3	0	0	0	111.6
527	Q	26.2	Very low	30	Very low	130 Å²	130	142 Å²	142	61%	0.607	74%	0.743	S	S	*	*			cis	-167.8	131.8	2.8	-145.1	-174	116.6	0	0	114.6
528	R	26.9	Very low	30.2	Very low	200 Å²	200	145.5 Å²	145.5	76%	0.755	74%	0.741	S	S	*	*			trans	56.8	161	149.9	-78.7	-165.3	-91.6	-132.3	0.7	121.3
529	Q	24	Very low	30.3	Very low	144 Å²	144	147.1 Å²	147.1	67%	0.673	74%	0.738	S	S	*	*			cis	-170.2	126.5	-21.2	172.4	170.7	-40.1	0	0	113.5
530	I	25.9	Very low	30.4	Very low	142 Å²	142	147.9 Å²	147.9	73%	0.728	75%	0.745	S	S	*	*			trans	45.8	138.1	144.5	-50.3	165.6	0	0	0	122.4
531	S	26.1	Very low	30.5	Very low	94 Å²	94	141.9 Å²	141.9	66%	0.657	74%	0.74	S	S	*	*			trans	98.6	116.6	139.6	52.7	0	0	0	0	125.9
532	I	30.3	Very low	30.4	Very low	145 Å²	145	141.4 Å²	141.4	74%	0.744	74%	0.737	S	S	*	*				64.3	123.1	119.3	-57.1	163.9	0	0	0	119.9
533	T	32.2	Very low	29.5	Very low	145 Å²	145	142.1 Å²	142.1	89%	0.89	74%	0.744	S	S	*	*				-163	162	115.9	13.9	0	0	0	0	111.9
534	N	28.3	Very low	29.5	Very low	133 Å²	133	139.9 Å²	139.9	71%	0.711	75%	0.745	S	S	*	*			trans	-111	153	-161.6	-107.6	-57.3	0	0	0	115.2
535	Q	38.8	Very low	30.4	Very low	153 Å²	153	137 Å²	137	72%	0.715	74%	0.742	S	S	*	*			trans	-26.8	147.4	149.4	-51.6	168.7	6.2	0	0	116.9
536	K	32.9	Very low	30.4	Very low	195 Å²	195	136.7 Å²	136.7	85%	0.848	74%	0.74	S	S	*	*			trans	-140.3	137.2	140.5	-58.9	-176.2	-176.6	172.6	0	107.1
537	N	34.1	Very low	30.5	Very low	122 Å²	122	136.8 Å²	136.8	65%	0.652	74%	0.741	S	S	*	*			cis	67.7	126.4	43.6	-70.4	-55.9	0	0	0	112.8
538	L	32.4	Very low	31.3	Very low	156 Å²	156	135.3 Å²	135.3	82%	0.817	74%	0.743	S	S	*	*			cis	-140.8	-137.3	-1.2	-94.4	161.2	0	0	0	108.4
539	R	31.6	Very low	31.5	Very low	211 Å²	211	133.4 Å²	133.4	80%	0.796	75%	0.746	S	S	*	*			cis	-168.4	127.5	5.1	-157.9	-174.3	-173.7	-167	1.8	114.5
540	L	28.1	Very low	32.4	Very low	150 Å²	150	131.6 Å²	131.6	79%	0.785	75%	0.746	S	S	*	*			trans	61.5	141.9	149.7	-76.1	169.9	0	0	0	124.3
541	A	29.2	Very low	32.6	Very low	83 Å²	83	132.1 Å²	132.1	69%	0.686	75%	0.749	S	S	*	*			trans	95.5	121.5	135.4	0	0	0	0	0	124.1
542	S	27.9	Very low	33.3	Very low	103 Å²	103	133.6 Å²	133.6	72%	0.72	76%	0.757	S	S	*	*			trans	64.8	140.2	135.8	57	0	0	0	0	124.8
543	S	30	Very low	33.4	Very low	120 Å²	120	136 Å²	136	84%	0.839	76%	0.761	S	S	*	*			trans	70.7	154	151.1	48	0	0	0	0	120.9
544	A	27.2	Very low	33.5	Very low	92 Å²	92	135.1 Å²	135.1	76%	0.76	76%	0.758	S	S	*	*			trans	-136.7	-178.2	173.5	0	0	0	0	0	107.6
545	P	47.7	Very low	33.5	Very low	113 Å²	113	138.4 Å²	138.4	73%	0.734	77%	0.77	S	S	*	*			cis	-132.9	-171.2	-8.3	40.3	-22.4	0	0	0	114.5
546	S	28.4	Very low	33	Very low	91 Å²	91	135.1 Å²	135.1	64%	0.636	78%	0.777	S	S	*	*			trans	77.3	124.5	147.3	67.2	0	0	0	0	123.6
547	N	32	Very low	32.8	Very low	150 Å²	150	132 Å²	132	80%	0.802	77%	0.774	S	S	*	*			trans	75.8	162.2	138.1	-60.5	-5.3	0	0	0	120.4
548	P	44.1	Very low	32.6	Very low	100 Å²	100	135.6 Å²	135.6	65%	0.649	79%	0.787	S	S	*	*				-144.9	152.4	-59.9	40.8	-24.2	0	0	0	117.2
549	I	30.8	Very low	32.4	Very low	160 Å²	160	138.6 Å²	138.6	82%	0.821	79%	0.787	S	S	*	*			trans	66.3	166.7	145.3	-67.8	169.7	0	0	0	116.5
550	P	41.7	Very low	33	Very low	105 Å²	105	133.9 Å²	133.9	68%	0.682	78%	0.784	S	S	*	*			cis	-122.7	158.5	-13.8	24.7	-2.5	0	0	0	118.1
551	I	31	Very low	32.9	Very low	153 Å²	153	132.5 Å²	132.5	79%	0.785	79%	0.786	S	S	*	*				15.3	128.7	124.3	-62.3	170.6	0	0	0	117.6
552	P	41.4	Very low	32.8	Very low	126 Å²	126	136.5 Å²	136.5	82%	0.818	78%	0.783	S	S	*	*				-148.5	-179.6	81.5	40.5	-20.8	0	0	0	119.3
553	K	30.9	Very low	33.4	Very low	194 Å²	194	137.4 Å²	137.4	84%	0.843	79%	0.786	S	S	*	*			trans	-84.8	158	-172.1	-52.2	168	-177	174.2	0	113.5
554	P	36.3	Very low	33.4	Very low	127 Å²	127	135.6 Å²	135.6	83%	0.825	78%	0.778	S	S	*	*			trans	-91.5	144.8	167.7	35.4	-32.7	0	0	0	114
555	Q	27.8	Very low	33.4	Very low	203 Å²	203	135.1 Å²	135.1	95%	0.949	76%	0.763	S	S	*	*			trans	-140.7	147.8	156.1	-78.7	-174.3	-24.8	0	0	107.4
556	G	28.2	Very low	32.5	Very low	84 Å²	84	137.9 Å²	137.9	87%	0.866	77%	0.766	S	S	*	*			trans	150.9	78.2	178.4	0	0	0	0	0	114.5
557	T	28.9	Very low	32.3	Very low	129 Å²	129	136.7 Å²	136.7	79%	0.791	77%	0.768	S	S	*	*			trans	-77.3	145.6	169.1	48.1	0	0	0	0	111.6
558	H	29.1	Very low	33.2	Very low	198 Å²	198	135 Å²	135	92%	0.917	77%	0.766	S	S	*	*			trans	-155.6	150.9	136.6	-98.3	-71.1	0	0	0	111.7
559	R	29.2	Very low	32.4	Very low	218 Å²	218	136.2 Å²	136.2	82%	0.823	77%	0.771	S	S	*	*			trans	-105	-178.8	176.7	-104	-177.3	176.8	-176.2	1.4	109.1
560	P	44.1	Very low	32.2	Very low	113 Å²	113	135.5 Å²	135.5	73%	0.734	77%	0.767	S	S	*	*			cis	-122.7	-169.8	11.4	27.5	-1.1	0	0	0	111.8
561	C	25.2	Very low	31.5	Very low	121 Å²	121	135.2 Å²	135.2	82%	0.818	77%	0.767	S	S	*	*			cis	-142.8	169.2	32.3	-74.8	0	0	0	0	115.7
562	R	28.1	Very low	31.3	Very low	167 Å²	167	132.7 Å²	132.7	63%	0.63	76%	0.763	S	S	*	*			trans	-109	-174.2	172.3	-112.3	179.1	169	-141.4	-18.1	108.9	D565	R562-D565 IonicContact CZ-OD1 2.78Å; R562-D565 VanDerWaalsContact CZ-OD1 3.26Å; R562-D565 IonicContact CZ-OD2 2.68Å; R562-D565 IonicContact NH1-OD1 2.79Å; R562-D565 PolarHBondContact NH1-OD1 2.88Å; R562-D565 VanDerWaalsContact NH1-OD1 3.12Å; R562-D565 IonicContact NH1-OD2 3.64Å; R562-D565 PolarHBondContact NH1-OD2 2.9Å; R562-D565 IonicContact NH2-OD1 3.89Å; R562-D565 PolarHBondContact NH2-OD1 3.47Å; R562-D565 IonicContact NH2-OD2 3.91Å
563	P	39.3	Very low	30.7	Very low	121 Å²	121	131.9 Å²	131.9	79%	0.786	76%	0.761	S	S	*	*			cis	-118.1	-170.6	13	44.7	-31.2	0	0	0	112.6
564	A	29.4	Very low	31.4	Very low	82 Å²	82	128.4 Å²	128.4	68%	0.678	76%	0.758	S	S	*	*			cis	-133.6	152.7	-2.5	0	0	0	0	0	107.3
565	D	28.3	Very low	30.9	Very low	83 Å²	83	129.4 Å²	129.4	44%	0.444	76%	0.757	S	S	.	*				52.7	135.8	59.1	-69.2	-28.7	0	0	0	113.7	R562	R562-D565 IonicContact CZ-OD1 2.78Å; R562-D565 VanDerWaalsContact CZ-OD1 3.26Å; R562-D565 IonicContact CZ-OD2 2.68Å; R562-D565 IonicContact NH1-OD1 2.79Å; R562-D565 PolarHBondContact NH1-OD1 2.88Å; R562-D565 VanDerWaalsContact NH1-OD1 3.12Å; R562-D565 IonicContact NH1-OD2 3.64Å; R562-D565 PolarHBondContact NH1-OD2 2.9Å; R562-D565 IonicContact NH2-OD1 3.89Å; R562-D565 PolarHBondContact NH2-OD1 3.47Å; R562-D565 IonicContact NH2-OD2 3.91Å
566	Q	27.9	Very low	30.9	Very low	171 Å²	171	127.9 Å²	127.9	80%	0.799	75%	0.749	S	S	*	*			cis	-160.5	175.6	-9.4	-118.4	165.9	55.6	0	0	106.2
567	G	24.6	Very low	30.8	Very low	65 Å²	65	129.5 Å²	129.5	67%	0.67	75%	0.747	S	S	*	*			cis	169.5	179.2	9.3	0	0	0	0	0	110.3
568	P	52.1	Low	30.6	Very low	116 Å²	116	130.5 Å²	130.5	75%	0.753	75%	0.748	S	S	*	*			trans	-125.1	-143.5	-159.1	39.8	-23.2	0	0	0	113.5
569	V	25.6	Very low	31.2	Very low	124 Å²	124	127 Å²	127	75%	0.752	74%	0.743	S	S	*	*			trans	77.1	147.7	172.5	-142.8	0	0	0	0	111.4
570	I	27.5	Very low	31	Very low	146 Å²	146	121.9 Å²	121.9	75%	0.749	74%	0.74	S	S	*	*			cis	-144.4	166.6	25.9	-24.1	-178.6	0	0	0	113.3
571	S	27	Very low	30.1	Very low	98 Å²	98	127.7 Å²	127.7	69%	0.685	75%	0.747	S	S	*	*			trans	-32.6	162.9	162.5	62.9	0	0	0	0	117
572	S	27.4	Very low	30.3	Very low	100 Å²	100	126.9 Å²	126.9	70%	0.699	74%	0.743	S	S	*	*				-178.8	173.4	63.2	53.3	0	0	0	0	116.6
573	S	28.7	Very low	30.1	Very low	110 Å²	110	128.2 Å²	128.2	77%	0.769	76%	0.757	S	S	*	*			trans	79.2	156.6	151.6	-67.3	0	0	0	0	119.5
574	P	44.3	Very low	29.7	Very low	121 Å²	121	128.1 Å²	128.1	79%	0.786	76%	0.759	S	S	*	*			trans	-137.8	-164.9	-141.6	45.5	-27.6	0	0	0	116.3
575	D	26.1	Very low	30.1	Very low	148 Å²	148	131.9 Å²	131.9	79%	0.791	77%	0.768	S	S	*	*			trans	110.6	164	151.1	-136.2	-10.6	0	0	0	117.5
576	Q	27.8	Very low	30.8	Very low	170 Å²	170	133.6 Å²	133.6	79%	0.794	78%	0.783	S	S	*	*			trans	-103.9	163.1	-152.7	-61.3	175.9	58.5	0	0	115.2
577	S	27	Very low	30.8	Very low	118 Å²	118	129.2 Å²	129.2	83%	0.825	78%	0.777	S	S	*	*			trans	126.5	170.6	139	77.4	0	0	0	0	117.4
578	N	25	Very low	31.1	Very low	151 Å²	151	133.5 Å²	133.5	81%	0.807	78%	0.783	S	S	*	*			trans	-79.5	179.2	-170.1	-60.9	-51.3	0	0	0	111.5
579	P	39.8	Very low	30.6	Very low	125 Å²	125	133.4 Å²	133.4	81%	0.812	78%	0.782	S	S	*	*			cis	-139.6	-160.5	12.6	44.5	-24.1	0	0	0	116.2
580	S	26.7	Very low	30.9	Very low	109 Å²	109	131 Å²	131	76%	0.762	78%	0.776	S	S	*	*			trans	-79.4	159	-167.7	-40.9	0	0	0	0	116.8
581	R	25.2	Very low	31	Very low	235 Å²	235	131.8 Å²	131.8	89%	0.887	78%	0.782	S	S	*	*			trans	75.6	134.6	140.1	-108.3	-178.9	171.6	-125.7	0.9	119.8
582	S	28.7	Very low	31.1	Very low	105 Å²	105	134.6 Å²	134.6	73%	0.734	79%	0.789	S	S	*	*			trans	99.1	166.1	154.3	-36.3	0	0	0	0	117
583	E	24.5	Very low	31.4	Very low	195 Å²	195	136.5 Å²	136.5	91%	0.911	79%	0.787	S	S	*	*			trans	79.1	156.6	174.9	-48.4	-159.3	114	0	0	116.9
584	S	29.7	Very low	31.5	Very low	119 Å²	119	141.4 Å²	141.4	83%	0.832	79%	0.789	S	S	*	*			trans	-137.7	172.8	-149.4	-54.8	0	0	0	0	113.8
585	D	38	Very low	30.7	Very low	160 Å²	160	138.4 Å²	138.4	86%	0.856	77%	0.769	S	S	*	*			trans	-48	147	175.7	-72.8	-55.6	0	0	0	115.4
586	P	42.6	Very low	30.8	Very low	119 Å²	119	137 Å²	137	77%	0.773	76%	0.762	S	S	*	*				-125.7	165.2	122.2	8.3	13.8	0	0	0	111.4
587	A	29.2	Very low	30.8	Very low	80 Å²	80	132.1 Å²	132.1	66%	0.661	74%	0.738	S	S	*	*			cis	-164	136.4	45.9	0	0	0	0	0	115.5
588	L	30.8	Very low	30.9	Very low	155 Å²	155	136.4 Å²	136.4	81%	0.812	74%	0.742	S	S	*	*			trans	57.8	160.4	130.8	-56.7	173.4	0	0	0	121.7
589	P	40.4	Very low	31	Very low	113 Å²	113	133 Å²	133	73%	0.734	74%	0.742	S	S	*	*			cis	-111.1	162.2	-22.7	17.9	5.3	0	0	0	111
590	A	32.3	Very low	30.3	Very low	75 Å²	75	139.1 Å²	139.1	62%	0.62	75%	0.749	S	S	*	*			cis	71.6	145.2	43	0	0	0	0	0	113.7
591	D	29.5	Very low	30.2	Very low	161 Å²	161	139.1 Å²	139.1	86%	0.861	75%	0.749	S	S	*	*			cis	-101.4	-152.7	-4.3	-59.3	-66	0	0	0	110.1
592	D	29.4	Very low	30.3	Very low	157 Å²	157	138.3 Å²	138.3	84%	0.84	75%	0.746	S	S	*	*			cis	-151.6	174.2	3.7	-174.2	18.5	0	0	0	109.2
593	E	33.5	Very low	30.2	Very low	140 Å²	140	139.1 Å²	139.1	65%	0.654	74%	0.742	S	S	*	*			trans	-112.1	163.8	-168.1	-58.9	-160.9	105.7	0	0	116.4
594	R	30.7	Very low	30.3	Very low	214 Å²	214	134.5 Å²	134.5	81%	0.808	73%	0.732	S	S	*	*				-172.9	146	110.5	-104.2	170	-178.2	-104	-5.3	118.7	T507	T507-R594 WeakPolarHBondContact CG2-O 3.22Å
595	C	27.1	Very low	30.1	Very low	57 Å²	57	136.5 Å²	136.5	39%	0.385	72%	0.721	S	S	.	*			trans	-33.6	159.2	156.7	-84.2	0	0	0	0	116.4	Y505	Y505-C595 WeakPolarHBondContact CD1-SG 3.31Å; Y505-C595 HydrophobicContact CE1-CB 4.16Å; Y505-C595 WeakPolarHBondContact CE1-SG 3.11Å
596	D	28.1	Very low	29.6	Very low	119 Å²	119	140.8 Å²	140.8	64%	0.636	73%	0.725	S	S	*	*				-156.8	-173.7	61.2	-137.6	-28.4	0	0	0	118.7	Y505 N506	Y505-D596 PolarHBondContact OH-OD1 2.95Å; N506-D596 PolarHBondContact ND2-O 3.26Å; N506-D596 VanDerWaalsContact ND2-O 3.1Å
597	K	29.2	Very low	28.8	Very low	68 Å²	68	140 Å²	140	30%	0.296	73%	0.729	S	S	.	*			trans	-112.2	169.2	-173.1	-102.4	-178.6	-162.5	170.6	0	113.1	S503 A504 Y505	S503-K597 PolarHBondContact O-NZ 2.74Å; A504-K597 WeakPolarHBondContact O-CE 3.36Å; A504-K597 PolarHBondContact O-NZ 2.81Å; Y505-K597 HydrophobicContact CD1-CD 4.14Å; Y505-K597 HydrophobicContact CD1-CG 3.97Å; Y505-K597 HydrophobicContact CD2-CD 4.18Å; Y505-K597 VanDerWaalsContact CD2-CE 3.46Å; Y505-K597 VanDerWaalsContact CD2-NZ 3.27Å; Y505-K597 HydrophobicContact CE1-CB 3.79Å; Y505-K597 HydrophobicContact CE1-CD 3.67Å; Y505-K597 HydrophobicContact CE1-CG 3.42Å; Y505-K597 VanDerWaalsContact CE1-CG 3.42Å; Y505-K597 HydrophobicContact CE2-CD 3.69Å; Y505-K597 HydrophobicContact CE2-CG 4.4Å; Y505-K597 HydrophobicContact CG-CD 4.4Å; Y505-K597 VanDerWaalsContact CZ-CD 3.44Å
598	K	28.2	Very low	29	Very low	207 Å²	207	144.2 Å²	144.2	90%	0.9	74%	0.739	S	S	*	*			trans	66.8	144.5	156	-73.4	166.7	176	174.8	0	117.9
599	G	26.4	Very low	29.7	Very low	79 Å²	79	141.7 Å²	141.7	81%	0.814	73%	0.733	S	S	*	*			trans	166.4	72.2	163.6	0	0	0	0	0	116.7
600	R	26.2	Very low	28.9	Very low	255 Å²	255	147.2 Å²	147.2	96%	0.962	74%	0.74	S	S	*	*			trans	-55.4	143.4	179.7	-61.3	173.3	170.9	-165.1	-3.5	115.2
601	S	25.4	Very low	28.7	Very low	109 Å²	109	146.9 Å²	146.9	76%	0.762	74%	0.744	S	S	*	*				-179.2	139.9	120.6	-155.8	0	0	0	0	109
602	R	27.2	Very low	28.6	Very low	217 Å²	217	143.9 Å²	143.9	82%	0.819	74%	0.742	S	S	*	*				42	132.5	67.4	-90.7	-163.7	168.6	144.3	2.2	114.2
603	D	26.1	Very low	28.5	Very low	122 Å²	122	142 Å²	142	65%	0.652	74%	0.741	S	S	*	*			cis	-145.4	143.5	14.4	-93	-49.4	0	0	0	107.9
604	S	26.4	Very low	28.2	Very low	99 Å²	99	145.4 Å²	145.4	69%	0.692	75%	0.749	S	S	*	*				92.7	149	66.2	-163.2	0	0	0	0	114.9
605	R	25.9	Very low	28.2	Very low	160 Å²	160	144.3 Å²	144.3	60%	0.604	75%	0.753	S	S	*	*			trans	80.2	125.9	-173.4	-53.3	168.9	-152.2	-102.6	-22.4	114.1	G479	G479-R605 VanDerWaalsContact O-CZ 3.32Å; G479-R605 PolarHBondContact O-NH1 3.4Å; G479-R605 PolarHBondContact O-NH2 2.89Å
606	R	27.5	Very low	28.4	Very low	250 Å²	250	148.2 Å²	148.2	94%	0.943	78%	0.775	S	S	*	*				65.1	99.7	52.9	-82.5	-165.2	175.1	-178.6	0.2	114.2
607	A	25	Very low	28.4	Very low	104 Å²	104	145.8 Å²	145.8	86%	0.86	78%	0.779	S	S	*	*			trans	-159.6	109.5	144.4	0	0	0	0	0	111
608	L	32.9	Very low	28.5	Very low	167 Å²	167	148 Å²	148	87%	0.874	80%	0.798	S	S	*	*			trans	-72.5	170	144.8	-77	161.5	0	0	0	107.5
609	P	45.7	Very low	28.8	Very low	103 Å²	103	148.4 Å²	148.4	67%	0.669	80%	0.796	S	S	*	*			cis	-152.5	-168.8	26.4	43.5	-21.7	0	0	0	118.3
610	Y	24	Very low	29.3	Very low	229 Å²	229	153.2 Å²	153.2	90%	0.898	80%	0.796	S	S	*	*			trans	78.4	143.9	146.1	-101	-79.9	0	0	0	122.5
611	G	27.8	Very low	29.6	Very low	67 Å²	67	143.7 Å²	143.7	69%	0.691	78%	0.778	S	S	*	*			trans	85.8	97.3	171.5	0	0	0	0	0	113.9
612	A	27.3	Very low	30.1	Very low	99 Å²	99	148 Å²	148	82%	0.818	79%	0.786	S	S	*	*			cis	71	86.9	30.6	0	0	0	0	0	115.7
613	S	27.2	Very low	30.4	Very low	117 Å²	117	141.5 Å²	141.5	82%	0.818	79%	0.786	S	S	*	*			trans	-173.4	155.7	139.3	57.6	0	0	0	0	113.7
614	Y	28.9	Very low	31.3	Very low	211 Å²	211	138.4 Å²	138.4	83%	0.827	78%	0.783	S	S	*	*			trans	-71.6	151	-175.4	-42.7	-97.1	0	0	0	115
615	Q	30.6	Very low	32.2	Very low	192 Å²	192	138.7 Å²	138.7	90%	0.897	79%	0.785	S	S	*	*				-175	175.1	121.2	-102.6	157.6	107.6	0	0	114.4
616	T	31.2	Very low	33.1	Very low	138 Å²	138	140 Å²	140	85%	0.847	80%	0.795	S	S	*	*			trans	-126	145.8	-157.2	48.9	0	0	0	0	115.5
617	G	28.3	Very low	34.1	Very low	69 Å²	69	135.3 Å²	135.3	71%	0.711	78%	0.784	S	S	*	*			trans	90	171.6	151.7	0	0	0	0	0	117.8
618	T	31.1	Very low	35.1	Very low	114 Å²	114	136.3 Å²	136.3	70%	0.699	77%	0.774	S	S	*	*			cis	-168.4	132.1	-18.6	1.2	0	0	0	0	111.5
619	Y	32.9	Very low	35.9	Very low	216 Å²	216	135.6 Å²	135.6	85%	0.847	77%	0.767	S	S	*	*			trans	61	160.4	170.9	-49	-66.6	0	0	0	116
620	H	37.2	Very low	36.4	Very low	180 Å²	180	134 Å²	134	83%	0.833	76%	0.757	S	S	*	*			cis	-151.8	171.8	-1.2	-156.7	52.4	0	0	0	107.2
621	G	33.3	Very low	37.8	Very low	55 Å²	55	129.9 Å²	129.9	57%	0.567	74%	0.742	S	S	*	*			cis	164.9	-152.8	0.7	0	0	0	0	0	112.1
622	Q	35.1	Very low	39.2	Very low	199 Å²	199	132.6 Å²	132.6	93%	0.93	74%	0.738	S	S	*	*			trans	63.3	128	179.3	-66.5	-164.5	-2.2	0	0	119.4
623	G	34.9	Very low	40.6	Very low	81 Å²	81	134 Å²	134	84%	0.835	73%	0.727	S	S	*	*			trans	177.7	19.3	174	0	0	0	0	0	118.1
624	G	44	Very low	42	Very low	57 Å²	57	132.7 Å²	132.7	59%	0.588	71%	0.71	S	S	*	*			trans	-89.7	-6.1	-160.1	0	0	0	0	0	119.5
625	S	45.5	Very low	43.1	Very low	105 Å²	105	126.6 Å²	126.6	73%	0.734	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	-25.7	-162.8	56.6	0	0	0	0	116.5
626	K	44.8	Very low	44.3	Very low	186 Å²	186	124.4 Å²	124.4	81%	0.809	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	-15.6	-172.4	-66.9	-176.8	178.8	178.6	0	114.6
627	Q	48.7	Very low	45.3	Very low	152 Å²	152	123.4 Å²	123.4	71%	0.71	67%	0.667	S	S	*	*	H	α-helix	trans	-90.6	-27.3	-168.7	-148.5	165.9	7.6	0	0	113.4	Q629 S630 Y631	Q627-Q629 VanDerWaalsContact C-N 3.31Å; Q627-Q629 PolarHBondContact O-N 3.21Å; Q627-S630 PolarHBondContact O-OG 2.8Å; Q627-Y631 WeakPolarHBondContact O-CB 3.29Å; Q627-Y631 PolarHBondContact O-N 3.36Å
628	L	46.3	Very low	46.3	Very low	126 Å²	126	125 Å²	125	66%	0.66	66%	0.656	S	S	*	*	H	α-helix	trans	-65.2	-33.1	174.1	-97.8	73	0	0	0	112.8	Y631 M632	L628-Y631 PolarHBondContact O-N 3.48Å; L628-M632 PolarHBondContact O-N 2.83Å
629	Q	49.4	Very low	47	Very low	152 Å²	152	122.6 Å²	122.6	71%	0.71	64%	0.644	S	S	*	*	H	α-helix	trans	-73.3	-38.7	-172	-161.2	166.9	16.9	0	0	112.4	Q627 Q633	Q627-Q629 VanDerWaalsContact C-N 3.31Å; Q627-Q629 PolarHBondContact O-N 3.21Å; Q629-Q633 PolarHBondContact O-N 3.49Å
630	S	56.7	Low	47.7	Very low	68 Å²	68	115.9 Å²	115.9	48%	0.476	63%	0.628	S	S	.	*	H	α-helix	trans	-71.7	-33.5	171	57.6	0	0	0	0	112.4	Q627 Q633 L634	Q627-S630 PolarHBondContact O-OG 2.8Å; S630-Q633 WeakPolarHBondContact O-CB 3.36Å; S630-Q633 PolarHBondContact O-N 2.94Å; S630-L634 PolarHBondContact O-N 3.07Å
631	Y	53.3	Low	48.3	Very low	144 Å²	144	112.5 Å²	112.5	57%	0.565	62%	0.616	S	S	*	*	H	α-helix	trans	-63.4	-43.4	174.9	-177.2	-117.3	0	0	0	112.3	Q627 L628 L634 L635	Q627-Y631 WeakPolarHBondContact O-CB 3.29Å; Q627-Y631 PolarHBondContact O-N 3.36Å; L628-Y631 PolarHBondContact O-N 3.48Å; Y631-L634 PolarHBondContact O-N 3.46Å; Y631-L635 HydrophobicContact CD1-CD1 3.89Å; Y631-L635 HydrophobicContact CE1-CD1 3.55Å; Y631-L635 HydrophobicContact CE1-CG 4.49Å; Y631-L635 HydrophobicContact CE2-CD1 4.37Å; Y631-L635 HydrophobicContact CE2-CG 4.49Å; Y631-L635 HydrophobicContact CG-CD1 4.44Å; Y631-L635 PolarHBondContact O-N 3.34Å
632	M	57	Low	49	Very low	123 Å²	123	115.5 Å²	115.5	61%	0.606	62%	0.615	S	S	*	*	H	α-helix	trans	-62.5	-41.2	171.6	-82.4	-139.6	68.3	0	0	112.9	L628 L634 L635 Q636	L628-M632 PolarHBondContact O-N 2.83Å; M632-L634 VanDerWaalsContact C-N 3.31Å; M632-L634 PolarHBondContact O-N 2.81Å; M632-L635 PolarHBondContact O-N 3.25Å; M632-Q636 PolarHBondContact O-N 3.06Å; M632-Q636 VanDerWaalsContact O-N 3.1Å
633	Q	56.5	Low	49.3	Very low	130 Å²	130	114.2 Å²	114.2	61%	0.607	60%	0.603	S	S	*	*	H	α-helix	trans	-58.5	-43.7	175.6	-159.7	92.7	26.9	0	0	111.3	Q629 S630 Q636 Q637	Q629-Q633 PolarHBondContact O-N 3.49Å; S630-Q633 WeakPolarHBondContact O-CB 3.36Å; S630-Q633 PolarHBondContact O-N 2.94Å; Q633-Q636 PolarHBondContact O-N 3.24Å; Q633-Q637 PolarHBondContact O-N 2.9Å
634	L	55.4	Low	49.8	Very low	88 Å²	88	113.6 Å²	113.6	46%	0.461	59%	0.586	S	S	.	*	H	α-helix	trans	-66.7	-45.2	177.6	-90.2	158	0	0	0	112.9	S630 Y631 M632 Q636 Q637 H638	S630-L634 PolarHBondContact O-N 3.07Å; Y631-L634 PolarHBondContact O-N 3.46Å; M632-L634 VanDerWaalsContact C-N 3.31Å; M632-L634 PolarHBondContact O-N 2.81Å; L634-Q636 PolarHBondContact O-N 3.32Å; L634-Q637 PolarHBondContact O-N 3.47Å; L634-Q637 VanDerWaalsContact O-N 3.1Å; L634-H638 PolarHBondContact O-CD2 3.17Å; L634-H638 PolarHBondContact O-N 3.29Å
635	L	52.4	Low	49.7	Very low	84 Å²	84	117.6 Å²	117.6	44%	0.44	59%	0.589	S	S	.	*	H	α-helix	trans	-57.2	-38.6	175.2	-81.3	164.7	0	0	0	112.1	Y631 M632 Q637 S639	Y631-L635 HydrophobicContact CD1-CD1 3.89Å; Y631-L635 HydrophobicContact CE1-CD1 3.55Å; Y631-L635 HydrophobicContact CE1-CG 4.49Å; Y631-L635 HydrophobicContact CE2-CD1 4.37Å; Y631-L635 HydrophobicContact CE2-CG 4.49Å; Y631-L635 HydrophobicContact CG-CD1 4.44Å; Y631-L635 PolarHBondContact O-N 3.34Å; M632-L635 PolarHBondContact O-N 3.25Å; L635-Q637 VanDerWaalsContact C-N 3.34Å; L635-S639 WeakPolarHBondContact O-CB 3.33Å; L635-S639 PolarHBondContact O-N 3.1Å; L635-S639 PolarHBondContact O-OG 2.86Å
636	Q	56.9	Low	49.6	Very low	145 Å²	145	115.3 Å²	115.3	68%	0.678	57%	0.574	S	S	*	*	H	α-helix	trans	-75.7	-21.6	179.3	-160.4	162.5	13.7	0	0	113.2	M632 Q633 L634 S639	M632-Q636 PolarHBondContact O-N 3.06Å; M632-Q636 VanDerWaalsContact O-N 3.1Å; Q633-Q636 PolarHBondContact O-N 3.24Å; L634-Q636 PolarHBondContact O-N 3.32Å; Q636-S639 PolarHBondContact O-OG 2.88Å
637	Q	51.7	Low	49.3	Very low	118 Å²	118	111.9 Å²	111.9	55%	0.551	56%	0.56	S	S	*	*	H	α-helix	trans	-80.8	-45.4	168.8	-70.3	-173.1	-59.9	0	0	112.2	Q633 L634 L635 S639 S640 L641	Q633-Q637 PolarHBondContact O-N 2.9Å; L634-Q637 PolarHBondContact O-N 3.47Å; L634-Q637 VanDerWaalsContact O-N 3.1Å; L635-Q637 VanDerWaalsContact C-N 3.34Å; Q637-S639 PolarHBondContact O-N 3.3Å; Q637-S640 WeakPolarHBondContact O-CB 3.47Å; Q637-S640 PolarHBondContact O-N 3.04Å; Q637-S640 VanDerWaalsContact O-N 3.15Å; Q637-S640 PolarHBondContact O-OG 3.42Å; Q637-L641 PolarHBondContact O-N 2.9Å
638	H	48.7	Very low	49.1	Very low	102 Å²	102	111 Å²	111	47%	0.472	56%	0.56	S	S	.	*	H	α-helix	trans	-58.5	-48.6	178.4	-92.1	-98.2	0	0	0	112.4	L634 S640 L641 E642	L634-H638 PolarHBondContact O-CD2 3.17Å; L634-H638 PolarHBondContact O-N 3.29Å; H638-S640 PolarHBondContact O-N 3.05Å; H638-L641 PolarHBondContact O-N 3.34Å; H638-E642 PolarHBondContact O-N 3.01Å
639	S	46.3	Very low	49	Very low	63 Å²	63	108.6 Å²	108.6	44%	0.441	55%	0.554	S	S	.	*	H	α-helix	trans	-59	-30.7	177.1	50.7	0	0	0	0	113.1	L635 Q636 Q637 Y643	L635-S639 WeakPolarHBondContact O-CB 3.33Å; L635-S639 PolarHBondContact O-N 3.1Å; L635-S639 PolarHBondContact O-OG 2.86Å; Q636-S639 PolarHBondContact O-OG 2.88Å; Q637-S639 PolarHBondContact O-N 3.3Å; S639-Y643 VanDerWaalsContact O-CB 3.25Å; S639-Y643 WeakPolarHBondContact O-CB 3.22Å; S639-Y643 PolarHBondContact O-N 3.2Å
640	S	46.7	Very low	48.5	Very low	75 Å²	75	107.2 Å²	107.2	52%	0.524	55%	0.55	S	S	.	*	H	α-helix	trans	-69.4	-36.3	174.6	81.4	0	0	0	0	113.3	Q637 H638 S644	Q637-S640 WeakPolarHBondContact O-CB 3.47Å; Q637-S640 PolarHBondContact O-N 3.04Å; Q637-S640 VanDerWaalsContact O-N 3.15Å; Q637-S640 PolarHBondContact O-OG 3.42Å; H638-S640 PolarHBondContact O-N 3.05Å; S640-S644 PolarHBondContact O-N 3.04Å
641	L	50.9	Low	47.6	Very low	110 Å²	110	110.3 Å²	110.3	58%	0.576	56%	0.561	S	S	*	*	H	α-helix	trans	-73.4	-47.5	176.5	-77.9	163.7	0	0	0	110.9	Q637 H638 Y643 S644 Q645	Q637-L641 PolarHBondContact O-N 2.9Å; H638-L641 PolarHBondContact O-N 3.34Å; L641-Y643 VanDerWaalsContact C-N 3.33Å; L641-Y643 PolarHBondContact O-N 2.68Å; L641-S644 WeakPolarHBondContact O-CA 3.33Å; L641-S644 WeakPolarHBondContact O-CB 3.44Å; L641-S644 PolarHBondContact O-N 2.77Å; L641-S644 PolarHBondContact O-OG 2.88Å; L641-Q645 PolarHBondContact O-N 3.03Å
642	E	48.2	Very low	47	Very low	117 Å²	117	108.2 Å²	108.2	55%	0.547	57%	0.568	S	S	.	*	H	α-helix	trans	-62	-38.8	178.7	-70.5	174	177.7	0	0	111.9	H638 S644 Q645 S646	H638-E642 PolarHBondContact O-N 3.01Å; E642-S644 VanDerWaalsContact C-N 3.3Å; E642-S644 PolarHBondContact O-N 2.98Å; E642-Q645 PolarHBondContact O-N 2.94Å; E642-S646 VanDerWaalsContact O-CB 3.24Å; E642-S646 WeakPolarHBondContact O-CB 3.48Å; E642-S646 PolarHBondContact O-N 2.84Å
643	Y	40.3	Very low	46.1	Very low	172 Å²	172	107.8 Å²	107.8	68%	0.675	57%	0.572	S	S	*	*	H	α-helix	trans	-64.2	-35	173.7	-153.4	-93	0	0	0	112.2	S639 L641 Q647	S639-Y643 VanDerWaalsContact O-CB 3.25Å; S639-Y643 WeakPolarHBondContact O-CB 3.22Å; S639-Y643 PolarHBondContact O-N 3.2Å; L641-Y643 VanDerWaalsContact C-N 3.33Å; L641-Y643 PolarHBondContact O-N 2.68Å; Y643-Q647 WeakPolarHBondContact O-CG 3.41Å; Y643-Q647 PolarHBondContact O-N 2.97Å
644	S	45.1	Very low	45.3	Very low	69 Å²	69	107 Å²	107	48%	0.483	58%	0.579	S	S	.	*	H	α-helix	trans	-70.6	-35	175.5	82.7	0	0	0	0	112.9	S640 L641 E642	S640-S644 PolarHBondContact O-N 3.04Å; L641-S644 WeakPolarHBondContact O-CA 3.33Å; L641-S644 WeakPolarHBondContact O-CB 3.44Å; L641-S644 PolarHBondContact O-N 2.77Å; L641-S644 PolarHBondContact O-OG 2.88Å; E642-S644 VanDerWaalsContact C-N 3.3Å; E642-S644 PolarHBondContact O-N 2.98Å
645	Q	41.9	Very low	44.3	Very low	140 Å²	140	113.9 Å²	113.9	65%	0.654	60%	0.599	S	S	*	*	H	α-helix	trans	-79.2	-37.8	-179.1	-161.6	168.5	11.9	0	0	111.7	L641 E642 Q647 L648 S649	L641-Q645 PolarHBondContact O-N 3.03Å; E642-Q645 PolarHBondContact O-N 2.94Å; Q645-Q647 VanDerWaalsContact C-N 3.35Å; Q645-Q647 PolarHBondContact O-N 3.36Å; Q645-L648 PolarHBondContact O-N 3.46Å; Q645-L648 VanDerWaalsContact O-N 3.14Å; Q645-S649 PolarHBondContact O-N 2.86Å
646	S	43.4	Very low	43.2	Very low	58 Å²	58	117.2 Å²	117.2	41%	0.406	62%	0.617	S	S	.	*	H	α-helix	trans	-61.9	-37.8	176	-177.5	0	0	0	0	112.9	E642 L648 S649 L650	E642-S646 VanDerWaalsContact O-CB 3.24Å; E642-S646 WeakPolarHBondContact O-CB 3.48Å; E642-S646 PolarHBondContact O-N 2.84Å; S646-L648 PolarHBondContact O-N 3.23Å; S646-S649 PolarHBondContact O-N 3.32Å; S646-S649 VanDerWaalsContact O-N 3.1Å; S646-L650 PolarHBondContact O-N 2.9Å
647	Q	40.2	Very low	42.4	Very low	113 Å²	113	116 Å²	116	53%	0.528	62%	0.622	S	S	.	*	H	α-helix	trans	-59	-27.6	174.9	-65.8	-101.2	-23.6	0	0	113.2	Y643 Q645 L651	Y643-Q647 WeakPolarHBondContact O-CG 3.41Å; Y643-Q647 PolarHBondContact O-N 2.97Å; Q645-Q647 VanDerWaalsContact C-N 3.35Å; Q645-Q647 PolarHBondContact O-N 3.36Å; Q647-L651 WeakPolarHBondContact O-CD1 3.5Å; Q647-L651 WeakPolarHBondContact O-CG 3.43Å
648	L	43.3	Very low	41.7	Very low	135 Å²	135	117.8 Å²	117.8	71%	0.707	63%	0.632	S	S	*	*	H	α-helix	trans	-83.7	-34.7	175.9	-65.6	172.4	0	0	0	112.2	Q645 S646	Q645-L648 PolarHBondContact O-N 3.46Å; Q645-L648 VanDerWaalsContact O-N 3.14Å; S646-L648 PolarHBondContact O-N 3.23Å
649	S	44.9	Very low	41.1	Very low	75 Å²	75	121.3 Å²	121.3	52%	0.524	65%	0.649	S	S	.	*	H	α-helix	trans	-71.3	-48.9	-179.6	-170.6	0	0	0	0	112.6	Q645 S646 L651 S652	Q645-S649 PolarHBondContact O-N 2.86Å; S646-S649 PolarHBondContact O-N 3.32Å; S646-S649 VanDerWaalsContact O-N 3.1Å; S649-L651 PolarHBondContact O-N 2.95Å; S649-L651 VanDerWaalsContact O-N 3.12Å; S649-S652 VanDerWaalsContact O-CB 3.27Å; S649-S652 WeakPolarHBondContact O-CB 3.46Å; S649-S652 PolarHBondContact O-N 3.17Å
650	L	39.1	Very low	40.4	Very low	122 Å²	122	129.4 Å²	129.4	64%	0.639	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	-17.2	-177.3	-70.3	173	0	0	0	114	S646 S652	S646-L650 PolarHBondContact O-N 2.9Å; L650-S652 VanDerWaalsContact C-N 3.27Å; L650-S652 PolarHBondContact O-N 3.15Å
651	L	37	Very low	40.2	Very low	134 Å²	134	134.1 Å²	134.1	70%	0.702	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	-6.4	171.5	-72	176.1	0	0	0	113.9	Q647 S649	Q647-L651 WeakPolarHBondContact O-CD1 3.5Å; Q647-L651 WeakPolarHBondContact O-CG 3.43Å; S649-L651 PolarHBondContact O-N 2.95Å; S649-L651 VanDerWaalsContact O-N 3.12Å
652	S	40.6	Very low	39.3	Very low	100 Å²	100	132.2 Å²	132.2	70%	0.699	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	-23.3	-176.9	-154.6	0	0	0	0	114.1	S649 L650	S649-S652 VanDerWaalsContact O-CB 3.27Å; S649-S652 WeakPolarHBondContact O-CB 3.46Å; S649-S652 PolarHBondContact O-N 3.17Å; L650-S652 VanDerWaalsContact C-N 3.27Å; L650-S652 PolarHBondContact O-N 3.15Å
653	V	39.4	Very low	38.9	Very low	114 Å²	114	138 Å²	138	69%	0.691	71%	0.712	S	S	*	*	S	Bend	trans	-92.1	-13.6	-167.7	-157.2	0	0	0	0	113.7
654	C	39.9	Very low	38.9	Very low	114 Å²	114	137 Å²	137	77%	0.77	72%	0.724	S	S	*	*			trans	-111.5	70.1	-175.8	-68	0	0	0	0	113.3
655	R	34.1	Very low	39.3	Very low	232 Å²	232	137.4 Å²	137.4	88%	0.875	74%	0.739	S	S	*	*			trans	-146	91.3	162.8	-86.8	-159.7	163.8	-148.7	-9.2	112.7
656	D	28.2	Very low	39.7	Very low	153 Å²	153	138.1 Å²	138.1	82%	0.818	74%	0.743	S	S	*	*			trans	-59.8	139.5	163.8	-85.1	-63.7	0	0	0	111.9	M658	D656-M658 PolarHBondContact O-N 3.47Å
657	P	41.5	Very low	40.5	Very low	119 Å²	119	139.1 Å²	139.1	77%	0.773	75%	0.748	S	S	*	*	S	Bend	trans	-83.7	35	-172.4	35.2	-37.8	0	0	0	114
658	M	35.7	Very low	41.7	Very low	156 Å²	156	142.5 Å²	142.5	77%	0.768	76%	0.756	S	S	*	*			trans	-137	93.7	179.7	-83	-64	145.1	0	0	113.4	D656	D656-M658 PolarHBondContact O-N 3.47Å
659	H	36.1	Very low	43.5	Very low	177 Å²	177	139.2 Å²	139.2	82%	0.819	74%	0.738	S	S	*	*				179.4	125.6	129.4	-102	78.7	0	0	0	113.4
660	R	32.9	Very low	45.2	Very low	232 Å²	232	140.5 Å²	140.5	88%	0.875	74%	0.736	S	S	*	*			trans	54.5	122.4	157.6	-76.7	-174.4	167.4	-169.1	-3.6	121.6	G662	R660-G662 PolarHBondContact O-N 3.09Å
661	N	40.9	Very low	47.2	Very low	175 Å²	175	142.8 Å²	142.8	94%	0.936	74%	0.736	S	S	*	*			trans	-1.9	113	137	-60.8	-3.7	0	0	0	117.1
662	G	33	Very low	49.4	Very low	69 Å²	69	143 Å²	143	71%	0.711	73%	0.732	S	S	*	*			trans	-129	135.5	161.5	0	0	0	0	0	110.3	R660	R660-G662 PolarHBondContact O-N 3.09Å
663	R	39.4	Very low	51.6	Low	239 Å²	239	142.3 Å²	142.3	90%	0.902	72%	0.723	S	S	*	*			trans	-73.6	150.1	-179.7	-70.2	-176	175.3	-165.5	-1.8	111.3	G665	R663-G665 PolarHBondContact O-N 3.24Å
664	T	40.3	Very low	53.7	Low	152 Å²	152	142.5 Å²	142.5	93%	0.933	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58	107	172.5	46.4	0	0	0	0	111.3
665	G	54.2	Low	56.1	Low	77 Å²	77	140.6 Å²	140.6	79%	0.794	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	152.9	-19.3	173.3	0	0	0	0	0	116.3	R663	R663-G665 PolarHBondContact O-N 3.24Å
666	E	50.1	Low	58.6	Low	155 Å²	155	135.1 Å²	135.1	72%	0.724	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-76.8	128.6	-174.7	-153.8	179.4	-179.6	0	0	112.4	R668	E666-R668 PolarHBondContact O-N 2.92Å
667	P	59.4	Low	60.8	Low	79 Å²	79	133.5 Å²	133.5	51%	0.513	69%	0.686	S	S	.	*	P	Polyproline II helix	trans	-72.6	127	-178.5	28.2	-34.4	0	0	0	111.5	L669	P667-L669 WeakPolarHBondContact O-CG 3.4Å; P667-L669 PolarHBondContact O-N 2.85Å; P667-L669 VanDerWaalsContact O-N 3.08Å
668	R	65.6	Low	62.9	Low	184 Å²	184	133 Å²	133	69%	0.694	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-49.9	117.2	174.5	176.5	173.4	169.2	164.4	-4.6	110.4	E666 A688	E666-R668 PolarHBondContact O-N 2.92Å; R668-A688 VanDerWaalsContact O-CB 3.26Å; R668-A688 WeakPolarHBondContact O-CB 3.45Å; R668-A688 PolarHBondContact O-N 2.87Å
669	L	81	Confident	65	Low	65 Å²	65	127.7 Å²	127.7	34%	0.34	66%	0.663	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.1	146.6	179.2	-60.7	168.3	0	0	0	110.7	P667 R685 R686 P687	P667-L669 WeakPolarHBondContact O-CG 3.4Å; P667-L669 PolarHBondContact O-N 2.85Å; P667-L669 VanDerWaalsContact O-N 3.08Å; L669-R685 HydrophobicContact CB-CG 4.11Å; L669-R685 VanDerWaalsContact CD1-NE 3.31Å; L669-R685 VanDerWaalsContact CD1-NH2 3.26Å; L669-R686 CarbonylContact C-O 3.57Å; L669-R686 WeakPolarHBondContact CA-O 3.49Å; L669-P687 HydrophobicContact CD2-CB 4.38Å; L669-P687 HydrophobicContact CD2-CG 4.02Å
670	E	80.6	Confident	67.4	Low	103 Å²	103	122.4 Å²	122.4	48%	0.481	64%	0.643	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.8	146.4	178.7	-177.4	-176.4	-160.8	0	0	109.2	R685 R686 A688	E670-R685 CarbonylContact O-C 3.53Å; E670-R685 WeakPolarHBondContact O-CA 3.41Å; E670-R686 PolarHBondContact N-O 3.28Å; E670-R686 PolarHBondContact O-N 2.96Å; E670-A688 HydrophobicContact CB-CB 4.37Å
671	W	82	Confident	70.1	Confident	169 Å²	169	120.6 Å²	120.6	64%	0.64	64%	0.636	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-94.8	121.9	173.3	-68.2	110.1	0	0	0	109.9	V683 R685	W671-V683 HydrophobicContact CB-CG1 3.87Å; W671-V683 HydrophobicContact CD2-CG1 4.33Å; W671-V683 HydrophobicContact CE3-CG1 3.82Å; W671-V683 HydrophobicContact CG-CG1 4.42Å; W671-R685 HydrophobicContact CD2-CB 4.35Å; W671-R685 HydrophobicContact CD2-CG 3.65Å; W671-R685 HydrophobicContact CE3-CB 3.78Å; W671-R685 HydrophobicContact CE3-CG 3.6Å; W671-R685 HydrophobicContact CG-CG 4.32Å; W671-R685 HydrophobicContact CH2-CB 4.36Å; W671-R685 HydrophobicContact CH2-CG 4.1Å; W671-R685 HydrophobicContact CZ2-CG 4.1Å; W671-R685 HydrophobicContact CZ3-CB 3.79Å; W671-R685 HydrophobicContact CZ3-CG 3.84Å
672	K	81.6	Confident	72.3	Confident	139 Å²	139	116.1 Å²	116.1	60%	0.604	61%	0.606	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-120	125.1	175.5	-166.5	146.5	-169.2	144.1	0	111.3	A684	K672-A684 PolarHBondContact N-O 2.82Å; K672-A684 PolarHBondContact O-N 2.7Å
673	V	86.9	Confident	74.8	Confident	85 Å²	85	116.9 Å²	116.9	52%	0.515	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-70.5	132.4	170.5	-172.5	0	0	0	0	108.7	R681 Y682 V683	V673-R681 HydrophobicContact CG1-CB 3.92Å; V673-Y682 CarbonylContact C-O 3.59Å; V673-Y682 WeakPolarHBondContact CA-O 3.43Å; V673-V683 HydrophobicContact CG2-CG2 4.4Å
674	K	84.3	Confident	76.8	Confident	119 Å²	119	106.5 Å²	106.5	52%	0.517	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-129.8	137.3	177.1	-174	171.1	173.2	-169.6	0	109.4	Y682	K674-Y682 HydrophobicContact CB-CE1 4.21Å; K674-Y682 HydrophobicContact CB-CE2 4.39Å; K674-Y682 WeakPolarHBondContact CD-OH 3.33Å; K674-Y682 HydrophobicContact CG-CE1 4.28Å; K674-Y682 PolarHBondContact N-O 3.15Å; K674-Y682 VanDerWaalsContact O-CD1 3.26Å; K674-Y682 WeakPolarHBondContact O-CD1 3.38Å; K674-Y682 PolarHBondContact O-N 3.14Å
675	V	90.7	Very high	78.8	Confident	73 Å²	73	105.9 Å²	105.9	44%	0.442	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	142.5	178.7	-158.9	0	0	0	0	109.1	G679 T680 R681	V675-G679 VanDerWaalsContact CG1-O 3.3Å; V675-G679 WeakPolarHBondContact CG1-O 3.15Å; V675-T680 CarbonylContact C-O 3.58Å; V675-T680 WeakPolarHBondContact CA-O 3.37Å; V675-R681 HydrophobicContact CG1-CG 4.25Å; V675-R681 HydrophobicContact CG2-CG 4.17Å
676	R	85.6	Confident	79.7	Confident	118 Å²	118	109.9 Å²	109.9	45%	0.445	53%	0.534	S	S	.	.			trans	-86.7	170	168.3	-64.6	-173.9	-170.7	85.1	-2.1	110.3	D678 G679 T680 Y682	R676-D678 VanDerWaalsContact CB-OD1 3.28Å; R676-D678 WeakPolarHBondContact CB-OD1 3.43Å; R676-D678 WeakPolarHBondContact CB-OD2 3.34Å; R676-D678 WeakPolarHBondContact CD-OD2 3.32Å; R676-D678 PolarHBondContact O-N 3.16Å; R676-G679 PolarHBondContact O-N 2.72Å; R676-G679 VanDerWaalsContact O-N 3.07Å; R676-T680 WeakPolarHBondContact CD-OG1 3.4Å; R676-T680 PolarHBondContact N-O 3.5Å; R676-T680 PolarHBondContact NH1-OG1 3.37Å; R676-Y682 HydrophobicContact CG-CD1 3.92Å; R676-Y682 HydrophobicContact CG-CE1 3.67Å
677	A	75.3	Confident	80.8	Confident	119 Å²	119	106.4 Å²	106.4	98%	0.983	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-24.6	176.6	0	0	0	0	0	113	G679	A677-G679 PolarHBondContact O-N 3.17Å
678	D	85.8	Confident	81	Confident	107 Å²	107	104 Å²	104	57%	0.572	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	3	172.2	56.9	50.2	0	0	0	114.3	R676 T680	R676-D678 VanDerWaalsContact CB-OD1 3.28Å; R676-D678 WeakPolarHBondContact CB-OD1 3.43Å; R676-D678 WeakPolarHBondContact CB-OD2 3.34Å; R676-D678 WeakPolarHBondContact CD-OD2 3.32Å; R676-D678 PolarHBondContact O-N 3.16Å; D678-T680 VanDerWaalsContact C-N 3.27Å; D678-T680 PolarHBondContact O-N 3.36Å; D678-T680 WeakPolarHBondContact OD1-CA 3.3Å; D678-T680 WeakPolarHBondContact OD1-CB 3.45Å; D678-T680 WeakPolarHBondContact OD1-CG2 3.34Å; D678-T680 PolarHBondContact OD1-N 2.76Å; D678-T680 PolarHBondContact OD1-OG1 2.71Å
679	G	79.9	Confident	80.9	Confident	46 Å²	46	104.7 Å²	104.7	47%	0.474	52%	0.515	S	S	.	.	S	Bend	trans	81.7	-11.5	-178.7	0	0	0	0	0	115.4	V675 R676 A677	V675-G679 VanDerWaalsContact CG1-O 3.3Å; V675-G679 WeakPolarHBondContact CG1-O 3.15Å; R676-G679 PolarHBondContact O-N 2.72Å; R676-G679 VanDerWaalsContact O-N 3.07Å; A677-G679 PolarHBondContact O-N 3.17Å
680	T	86.6	Confident	80.1	Confident	65 Å²	65	104.9 Å²	104.9	40%	0.399	52%	0.516	S	S	.	.			trans	-69.1	141.1	178.8	66.3	0	0	0	0	111.6	V675 R676 D678	V675-T680 CarbonylContact C-O 3.58Å; V675-T680 WeakPolarHBondContact CA-O 3.37Å; R676-T680 WeakPolarHBondContact CD-OG1 3.4Å; R676-T680 PolarHBondContact N-O 3.5Å; R676-T680 PolarHBondContact NH1-OG1 3.37Å; D678-T680 VanDerWaalsContact C-N 3.27Å; D678-T680 PolarHBondContact O-N 3.36Å; D678-T680 WeakPolarHBondContact OD1-CA 3.3Å; D678-T680 WeakPolarHBondContact OD1-CB 3.45Å; D678-T680 WeakPolarHBondContact OD1-CG2 3.34Å; D678-T680 PolarHBondContact OD1-N 2.76Å; D678-T680 PolarHBondContact OD1-OG1 2.71Å
681	R	89.3	Confident	79.4	Confident	194 Å²	194	108.5 Å²	108.5	73%	0.732	53%	0.525	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.2	140.5	-178.4	-53.7	-167	-178.8	-159.9	1.3	110.4	V673 V675	V673-R681 HydrophobicContact CG1-CB 3.92Å; V675-R681 HydrophobicContact CG1-CG 4.25Å; V675-R681 HydrophobicContact CG2-CG 4.17Å
682	Y	86.7	Confident	78.5	Confident	81 Å²	81	106.2 Å²	106.2	32%	0.318	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	150.7	171.6	66.7	-82.2	0	0	0	110.8	V673 K674 R676 A684	V673-Y682 CarbonylContact C-O 3.59Å; V673-Y682 WeakPolarHBondContact CA-O 3.43Å; K674-Y682 HydrophobicContact CB-CE1 4.21Å; K674-Y682 HydrophobicContact CB-CE2 4.39Å; K674-Y682 WeakPolarHBondContact CD-OH 3.33Å; K674-Y682 HydrophobicContact CG-CE1 4.28Å; K674-Y682 PolarHBondContact N-O 3.15Å; K674-Y682 VanDerWaalsContact O-CD1 3.26Å; K674-Y682 WeakPolarHBondContact O-CD1 3.38Å; K674-Y682 PolarHBondContact O-N 3.14Å; R676-Y682 HydrophobicContact CG-CD1 3.92Å; R676-Y682 HydrophobicContact CG-CE1 3.67Å; Y682-A684 HydrophobicContact CE2-CB 4.35Å
683	V	84.6	Confident	77.8	Confident	85 Å²	85	104.1 Å²	104.1	52%	0.515	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	134.6	179.1	-158.3	0	0	0	0	109.6	W671 V673	W671-V683 HydrophobicContact CB-CG1 3.87Å; W671-V683 HydrophobicContact CD2-CG1 4.33Å; W671-V683 HydrophobicContact CE3-CG1 3.82Å; W671-V683 HydrophobicContact CG-CG1 4.42Å; V673-V683 HydrophobicContact CG2-CG2 4.4Å
684	A	82.4	Confident	77	Confident	22 Å²	22	106.7 Å²	106.7	18%	0.182	52%	0.52	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	132.5	176.5	0	0	0	0	0	111.2	K672 Y682	K672-A684 PolarHBondContact N-O 2.82Å; K672-A684 PolarHBondContact O-N 2.7Å; Y682-A684 HydrophobicContact CE2-CB 4.35Å
685	R	83	Confident	76.4	Confident	139 Å²	139	105.1 Å²	105.1	53%	0.525	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	134.4	175.1	-128.1	164.4	81.7	-176.1	3.7	110.3	L669 E670 W671	L669-R685 HydrophobicContact CB-CG 4.11Å; L669-R685 VanDerWaalsContact CD1-NE 3.31Å; L669-R685 VanDerWaalsContact CD1-NH2 3.26Å; E670-R685 CarbonylContact O-C 3.53Å; E670-R685 WeakPolarHBondContact O-CA 3.41Å; W671-R685 HydrophobicContact CD2-CB 4.35Å; W671-R685 HydrophobicContact CD2-CG 3.65Å; W671-R685 HydrophobicContact CE3-CB 3.78Å; W671-R685 HydrophobicContact CE3-CG 3.6Å; W671-R685 HydrophobicContact CG-CG 4.32Å; W671-R685 HydrophobicContact CH2-CB 4.36Å; W671-R685 HydrophobicContact CH2-CG 4.1Å; W671-R685 HydrophobicContact CZ2-CG 4.1Å; W671-R685 HydrophobicContact CZ3-CB 3.79Å; W671-R685 HydrophobicContact CZ3-CG 3.84Å
686	R	73.1	Confident	75.5	Confident	160 Å²	160	109.8 Å²	109.8	60%	0.604	52%	0.524	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.3	150.4	-179.4	-66.7	-66.1	175.1	171.9	-6.9	110.9	L669 E670 A688	L669-R686 CarbonylContact C-O 3.57Å; L669-R686 WeakPolarHBondContact CA-O 3.49Å; E670-R686 PolarHBondContact N-O 3.28Å; E670-R686 PolarHBondContact O-N 2.96Å; R686-A688 PolarHBondContact O-N 3.46Å
687	P	72.8	Confident	74.9	Confident	82 Å²	82	107 Å²	107	53%	0.532	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	129.9	168.3	-22.9	34.5	0	0	0	111.1	L669 R689	L669-P687 HydrophobicContact CD2-CB 4.38Å; L669-P687 HydrophobicContact CD2-CG 4.02Å; P687-R689 PolarHBondContact O-N 2.96Å
688	A	64.3	Low	74.6	Confident	29 Å²	29	106.2 Å²	106.2	24%	0.24	51%	0.505	C	S	.	.			trans	-64.2	116.3	176.2	0	0	0	0	0	109.3	R668 E670 R686 D690	R668-A688 VanDerWaalsContact O-CB 3.26Å; R668-A688 WeakPolarHBondContact O-CB 3.45Å; R668-A688 PolarHBondContact O-N 2.87Å; E670-A688 HydrophobicContact CB-CB 4.37Å; R686-A688 PolarHBondContact O-N 3.46Å; A688-D690 PolarHBondContact O-N 3.12Å
689	R	62.1	Low	73.9	Confident	198 Å²	198	108.1 Å²	108.1	75%	0.747	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-1	-178	-161	-179.2	178.4	-176.4	-0.1	113.5	P687	P687-R689 PolarHBondContact O-N 2.96Å
690	D	64.7	Low	73.6	Confident	69 Å²	69	108.6 Å²	108.6	37%	0.369	50%	0.495	S	S	.	.	H	α-helix	trans	-72.8	-32.2	-163.2	-164.7	17	0	0	0	113.3	A688 I692 L693 R694	A688-D690 PolarHBondContact O-N 3.12Å; D690-I692 PolarHBondContact O-N 3.25Å; D690-L693 PolarHBondContact O-N 2.86Å; D690-R694 VanDerWaalsContact CG-NE 3.26Å; D690-R694 WeakPolarHBondContact O-CB 3.41Å; D690-R694 WeakPolarHBondContact O-CG 3.44Å; D690-R694 PolarHBondContact O-N 3.23Å; D690-R694 WeakPolarHBondContact OD1-CG 3.35Å; D690-R694 IonicContact OD1-NE 3.38Å; D690-R694 PolarHBondContact OD1-NE 3.44Å; D690-R694 IonicContact OD2-CZ 3.34Å; D690-R694 IonicContact OD2-NE 3.61Å; D690-R694 PolarHBondContact OD2-NE 2.93Å; D690-R694 IonicContact OD2-NH2 3.81Å; D690-R694 PolarHBondContact OD2-NH2 3.43Å
691	R	65.3	Low	72.7	Confident	179 Å²	179	114 Å²	114	68%	0.675	51%	0.508	S	S	*	.	H	α-helix	trans	-57	-48.7	178	-179.6	176.5	170	-179.1	-2.6	112.4	L693 R694 E695	R691-L693 VanDerWaalsContact C-N 3.33Å; R691-L693 PolarHBondContact O-N 3.36Å; R691-R694 PolarHBondContact O-N 2.97Å; R691-E695 HydrophobicContact CG-CG 4.33Å; R691-E695 IonicContact CZ-OE1 3.14Å; R691-E695 IonicContact NE-OE1 3.26Å; R691-E695 PolarHBondContact NE-OE1 2.85Å; R691-E695 IonicContact NE-OE2 2.96Å; R691-E695 IonicContact NH2-OE1 3.83Å; R691-E695 PolarHBondContact NH2-OE1 3.43Å; R691-E695 WeakPolarHBondContact O-CB 3.43Å; R691-E695 WeakPolarHBondContact O-CG 3.33Å; R691-E695 PolarHBondContact O-N 3.12Å
692	I	63.6	Low	71.6	Confident	122 Å²	122	110.7 Å²	110.7	63%	0.626	50%	0.501	S	S	*	.	H	α-helix	trans	-68.5	-34.5	-178.8	-60.9	173.1	0	0	0	111	D690 R696	D690-I692 PolarHBondContact O-N 3.25Å; I692-R696 WeakPolarHBondContact O-CB 3.42Å; I692-R696 PolarHBondContact O-N 3.09Å
693	L	67.1	Low	70.8	Confident	94 Å²	94	112.7 Å²	112.7	49%	0.492	51%	0.513	S	S	.	.	H	α-helix	trans	-72	-38.9	177.3	-68.7	172.8	0	0	0	111.7	D690 R691 A697	D690-L693 PolarHBondContact O-N 2.86Å; R691-L693 VanDerWaalsContact C-N 3.33Å; R691-L693 PolarHBondContact O-N 3.36Å; L693-A697 VanDerWaalsContact O-CB 3.25Å; L693-A697 WeakPolarHBondContact O-CB 3.48Å; L693-A697 PolarHBondContact O-N 3.23Å
694	R	70.6	Confident	69.7	Low	139 Å²	139	117.8 Å²	117.8	53%	0.525	52%	0.523	S	S	.	.	H	α-helix	trans	-69.7	-43.8	173	-69.9	-165.4	-122.1	162.4	-7.2	112.9	D690 R691 R696 A697 L698	D690-R694 VanDerWaalsContact CG-NE 3.26Å; D690-R694 WeakPolarHBondContact O-CB 3.41Å; D690-R694 WeakPolarHBondContact O-CG 3.44Å; D690-R694 PolarHBondContact O-N 3.23Å; D690-R694 WeakPolarHBondContact OD1-CG 3.35Å; D690-R694 IonicContact OD1-NE 3.38Å; D690-R694 PolarHBondContact OD1-NE 3.44Å; D690-R694 IonicContact OD2-CZ 3.34Å; D690-R694 IonicContact OD2-NE 3.61Å; D690-R694 PolarHBondContact OD2-NE 2.93Å; D690-R694 IonicContact OD2-NH2 3.81Å; D690-R694 PolarHBondContact OD2-NH2 3.43Å; R691-R694 PolarHBondContact O-N 2.97Å; R694-R696 VanDerWaalsContact C-N 3.29Å; R694-R696 PolarHBondContact O-N 3Å; R694-A697 PolarHBondContact O-N 2.91Å; R694-L698 WeakPolarHBondContact O-CB 3.49Å; R694-L698 WeakPolarHBondContact O-CG 3.39Å; R694-L698 PolarHBondContact O-N 2.99Å
695	E	71.8	Confident	68.5	Low	87 Å²	87	121.3 Å²	121.3	41%	0.407	55%	0.546	S	S	.	.	H	α-helix	trans	-58.9	-42.5	173.2	-76.8	171.5	160	0	0	110.6	R691 R699	R691-E695 HydrophobicContact CG-CG 4.33Å; R691-E695 IonicContact CZ-OE1 3.14Å; R691-E695 IonicContact NE-OE1 3.26Å; R691-E695 PolarHBondContact NE-OE1 2.85Å; R691-E695 IonicContact NE-OE2 2.96Å; R691-E695 IonicContact NH2-OE1 3.83Å; R691-E695 PolarHBondContact NH2-OE1 3.43Å; R691-E695 WeakPolarHBondContact O-CB 3.43Å; R691-E695 WeakPolarHBondContact O-CG 3.33Å; R691-E695 PolarHBondContact O-N 3.12Å; E695-R699 VanDerWaalsContact O-CB 3.29Å; E695-R699 WeakPolarHBondContact O-CB 3.2Å; E695-R699 PolarHBondContact O-N 3.41Å
696	R	69.9	Low	67.2	Low	171 Å²	171	118.3 Å²	118.3	65%	0.645	56%	0.559	S	S	*	*	H	α-helix	trans	-67.9	-38.4	174.5	-168	178.8	-173.9	-162.6	1.9	113	I692 R694 R699 I700	I692-R696 WeakPolarHBondContact O-CB 3.42Å; I692-R696 PolarHBondContact O-N 3.09Å; R694-R696 VanDerWaalsContact C-N 3.29Å; R694-R696 PolarHBondContact O-N 3Å; R696-R699 PolarHBondContact O-N 3.5Å; R696-I700 HydrophobicContact CG-CD1 3.93Å; R696-I700 HydrophobicContact CG-CG1 4.47Å; R696-I700 WeakPolarHBondContact O-CB 3.34Å; R696-I700 VanDerWaalsContact O-CG1 3.24Å; R696-I700 WeakPolarHBondContact O-CG1 2.97Å; R696-I700 PolarHBondContact O-N 3.18Å
697	A	73.4	Confident	66.5	Low	59 Å²	59	112.8 Å²	112.8	49%	0.488	55%	0.552	S	S	.	*	H	α-helix	trans	-69.3	-39.1	177.9	0	0	0	0	0	112.3	L693 R694 R701	L693-A697 VanDerWaalsContact O-CB 3.25Å; L693-A697 WeakPolarHBondContact O-CB 3.48Å; L693-A697 PolarHBondContact O-N 3.23Å; R694-A697 PolarHBondContact O-N 2.91Å; A697-R701 WeakPolarHBondContact O-CB 3.42Å; A697-R701 PolarHBondContact O-N 3.28Å
698	L	69.4	Low	65.2	Low	102 Å²	102	116.9 Å²	116.9	53%	0.534	57%	0.566	S	S	.	*	H	α-helix	trans	-64.4	-43.3	171.5	-73.5	169	0	0	0	110.9	R694 R701 E702	R694-L698 WeakPolarHBondContact O-CB 3.49Å; R694-L698 WeakPolarHBondContact O-CG 3.39Å; R694-L698 PolarHBondContact O-N 2.99Å; L698-R701 WeakPolarHBondContact O-CB 3.43Å; L698-R701 PolarHBondContact O-N 2.7Å; L698-R701 VanDerWaalsContact O-N 3.16Å; L698-E702 WeakPolarHBondContact O-CB 3.2Å; L698-E702 PolarHBondContact O-N 3.04Å
699	R	72.1	Confident	64.2	Low	148 Å²	148	121 Å²	121	56%	0.558	59%	0.588	S	S	*	*	H	α-helix	trans	-66.1	-39.6	176.7	-160.5	-177.2	-175.7	84.3	-0.3	112.9	E695 R696 R701 E702 E703	E695-R699 VanDerWaalsContact O-CB 3.29Å; E695-R699 WeakPolarHBondContact O-CB 3.2Å; E695-R699 PolarHBondContact O-N 3.41Å; R696-R699 PolarHBondContact O-N 3.5Å; R699-R701 VanDerWaalsContact C-N 3.28Å; R699-R701 PolarHBondContact O-N 2.98Å; R699-E702 WeakPolarHBondContact O-CB 3.48Å; R699-E702 PolarHBondContact O-N 2.83Å; R699-E703 WeakPolarHBondContact CD-OE1 3.48Å; R699-E703 HydrophobicContact CG-CG 4.39Å; R699-E703 WeakPolarHBondContact CG-OE1 3.26Å; R699-E703 IonicContact NE-OE1 2.9Å; R699-E703 PolarHBondContact NE-OE1 3.02Å; R699-E703 VanDerWaalsContact NE-OE1 3.16Å; R699-E703 VanDerWaalsContact O-CB 3.28Å; R699-E703 WeakPolarHBondContact O-CB 3.47Å; R699-E703 WeakPolarHBondContact O-CG 3.18Å; R699-E703 PolarHBondContact O-N 3.49Å
700	I	72.6	Confident	63.7	Low	56 Å²	56	116.3 Å²	116.3	29%	0.287	58%	0.582	S	S	.	*	H	α-helix	trans	-65	-33.3	172.4	-72.6	167.4	0	0	0	111.3	R696 R704	R696-I700 HydrophobicContact CG-CD1 3.93Å; R696-I700 HydrophobicContact CG-CG1 4.47Å; R696-I700 WeakPolarHBondContact O-CB 3.34Å; R696-I700 VanDerWaalsContact O-CG1 3.24Å; R696-I700 WeakPolarHBondContact O-CG1 2.97Å; R696-I700 PolarHBondContact O-N 3.18Å; I700-R704 VanDerWaalsContact O-CB 3.28Å; I700-R704 WeakPolarHBondContact O-CB 3.39Å; I700-R704 WeakPolarHBondContact O-CD 3.48Å; I700-R704 VanDerWaalsContact O-CG 3.22Å; I700-R704 WeakPolarHBondContact O-CG 3.33Å; I700-R704 PolarHBondContact O-N 3.25Å; I700-R704 VanDerWaalsContact O-N 3.09Å
701	R	66.9	Low	62.7	Low	179 Å²	179	119 Å²	119	68%	0.675	60%	0.596	S	S	*	*	H	α-helix	trans	-67.7	-44.9	172.7	-174.9	-170.8	-64.3	-173.1	-3.9	111.1	A697 L698 R699 R704 S705	A697-R701 WeakPolarHBondContact O-CB 3.42Å; A697-R701 PolarHBondContact O-N 3.28Å; L698-R701 WeakPolarHBondContact O-CB 3.43Å; L698-R701 PolarHBondContact O-N 2.7Å; L698-R701 VanDerWaalsContact O-N 3.16Å; R699-R701 VanDerWaalsContact C-N 3.28Å; R699-R701 PolarHBondContact O-N 2.98Å; R701-R704 PolarHBondContact O-N 2.79Å; R701-S705 VanDerWaalsContact O-CB 3.32Å; R701-S705 WeakPolarHBondContact O-CB 3.38Å; R701-S705 PolarHBondContact O-N 3.47Å; R701-S705 PolarHBondContact O-OG 3.25Å
702	E	67.4	Low	61.9	Low	124 Å²	124	116.2 Å²	116.2	58%	0.579	59%	0.594	S	S	*	*	H	α-helix	trans	-60.5	-52.8	176	-176.7	175.3	-123	0	0	111	L698 R699 R704 S705	L698-E702 WeakPolarHBondContact O-CB 3.2Å; L698-E702 PolarHBondContact O-N 3.04Å; R699-E702 WeakPolarHBondContact O-CB 3.48Å; R699-E702 PolarHBondContact O-N 2.83Å; E702-R704 PolarHBondContact O-N 2.88Å; E702-S705 WeakPolarHBondContact CA-OG 3.22Å; E702-S705 PolarHBondContact O-N 3.41Å; E702-S705 VanDerWaalsContact O-N 3.11Å; E702-S705 PolarHBondContact O-OG 3.46Å
703	E	69.3	Low	61.2	Low	123 Å²	123	116.7 Å²	116.7	58%	0.575	60%	0.599	S	S	*	*	H	α-helix	trans	-58.5	-30.1	176.4	-72	165.2	-179	0	0	112.8	R699	R699-E703 WeakPolarHBondContact CD-OE1 3.48Å; R699-E703 HydrophobicContact CG-CG 4.39Å; R699-E703 WeakPolarHBondContact CG-OE1 3.26Å; R699-E703 IonicContact NE-OE1 2.9Å; R699-E703 PolarHBondContact NE-OE1 3.02Å; R699-E703 VanDerWaalsContact NE-OE1 3.16Å; R699-E703 VanDerWaalsContact O-CB 3.28Å; R699-E703 WeakPolarHBondContact O-CB 3.47Å; R699-E703 WeakPolarHBondContact O-CG 3.18Å; R699-E703 PolarHBondContact O-N 3.49Å
704	R	62.3	Low	60.3	Low	192 Å²	192	116 Å²	116	73%	0.725	61%	0.607	S	S	*	*	H	α-helix	trans	-88.8	-25.5	175.2	-71.9	173.6	174.9	173.7	-4.1	114.2	I700 R701 E702 G706 G707	I700-R704 VanDerWaalsContact O-CB 3.28Å; I700-R704 WeakPolarHBondContact O-CB 3.39Å; I700-R704 WeakPolarHBondContact O-CD 3.48Å; I700-R704 VanDerWaalsContact O-CG 3.22Å; I700-R704 WeakPolarHBondContact O-CG 3.33Å; I700-R704 PolarHBondContact O-N 3.25Å; I700-R704 VanDerWaalsContact O-N 3.09Å; R701-R704 PolarHBondContact O-N 2.79Å; E702-R704 PolarHBondContact O-N 2.88Å; R704-G706 PolarHBondContact O-N 2.8Å; R704-G706 VanDerWaalsContact O-N 3.15Å; R704-G707 PolarHBondContact O-N 2.63Å
705	S	56.5	Low	59.1	Low	95 Å²	95	117.4 Å²	117.4	66%	0.664	62%	0.621	S	S	*	*	H	α-helix	trans	-67.5	-10.4	176.5	69.3	0	0	0	0	113.7	R701 E702 G707	R701-S705 VanDerWaalsContact O-CB 3.32Å; R701-S705 WeakPolarHBondContact O-CB 3.38Å; R701-S705 PolarHBondContact O-N 3.47Å; R701-S705 PolarHBondContact O-OG 3.25Å; E702-S705 WeakPolarHBondContact CA-OG 3.22Å; E702-S705 PolarHBondContact O-N 3.41Å; E702-S705 VanDerWaalsContact O-N 3.11Å; E702-S705 PolarHBondContact O-OG 3.46Å; S705-G707 PolarHBondContact O-N 3.27Å
706	G	55.7	Low	58.1	Low	76 Å²	76	118.1 Å²	118.1	78%	0.784	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	-14.8	173.5	0	0	0	0	0	115.2	R704	R704-G706 PolarHBondContact O-N 2.8Å; R704-G706 VanDerWaalsContact O-N 3.15Å
707	G	58.5	Low	57.2	Low	45 Å²	45	114.9 Å²	114.9	46%	0.464	63%	0.628	S	S	.	*	S	Bend	trans	-176.4	135.3	173.3	0	0	0	0	0	116.2	R704 S705	R704-G707 PolarHBondContact O-N 2.63Å; S705-G707 PolarHBondContact O-N 3.27Å
708	M	44.9	Very low	55.8	Low	168 Å²	168	121.7 Å²	121.7	83%	0.828	65%	0.652	S	S	*	*			trans	64.8	95.8	162.4	-57.9	177	66.9	0	0	117.3	T710	M708-T710 HydrophobicContact CE-CG2 4.24Å
709	T	45	Very low	55	Low	115 Å²	115	125.2 Å²	125.2	71%	0.706	66%	0.663	S	S	*	*			trans	-103.6	113.4	145.8	42.4	0	0	0	0	107.8	D711	T709-D711 PolarHBondContact O-N 2.92Å
710	T	50.8	Low	53.5	Low	99 Å²	99	126.2 Å²	126.2	61%	0.607	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	27	-170.2	55.1	0	0	0	0	114.1	M708	M708-T710 HydrophobicContact CE-CG2 4.24Å
711	D	44.4	Very low	52.8	Low	127 Å²	127	127.8 Å²	127.8	68%	0.679	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104	-38.8	-169.1	-136.9	17.2	0	0	0	111.2	T709 D713 A714	T709-D711 PolarHBondContact O-N 2.92Å; D711-D713 PolarHBondContact O-N 3.28Å; D711-A714 WeakPolarHBondContact O-CB 3.31Å; D711-A714 PolarHBondContact O-N 2.86Å; D711-A714 VanDerWaalsContact O-N 3.1Å
712	D	47	Very low	53.2	Low	119 Å²	119	125.7 Å²	125.7	64%	0.636	70%	0.698	S	S	*	*	H	α-helix	trans	-58.4	-34.9	170.7	-80.2	-13.6	0	0	0	111.7	A714 M715	D712-A714 PolarHBondContact O-N 2.94Å; D712-M715 PolarHBondContact O-N 3.24Å
713	D	50.4	Low	53.3	Low	133 Å²	133	130 Å²	130	71%	0.711	71%	0.711	S	S	*	*	H	α-helix	trans	-62.3	-20.7	178.5	-73	-33.1	0	0	0	112.7	D711	D711-D713 PolarHBondContact O-N 3.28Å
714	A	47.7	Very low	53.6	Low	80 Å²	80	127.8 Å²	127.8	66%	0.661	70%	0.697	S	S	*	*	H	α-helix	trans	-86.9	-22.6	-177.3	0	0	0	0	0	113.9	D711 D712	D711-A714 WeakPolarHBondContact O-CB 3.31Å; D711-A714 PolarHBondContact O-N 2.86Å; D711-A714 VanDerWaalsContact O-N 3.1Å; D712-A714 PolarHBondContact O-N 2.94Å
715	M	44.4	Very low	54.6	Low	167 Å²	167	121.3 Å²	121.3	82%	0.823	68%	0.681	S	S	*	*	H	α-helix	trans	-102.7	-4.7	-175.1	-60.9	-156.3	-62.6	0	0	114.2	D712	D712-M715 PolarHBondContact O-N 3.24Å
716	S	51.3	Low	55	Low	102 Å²	102	125.9 Å²	125.9	71%	0.713	69%	0.689	S	S	*	*	S	Bend	trans	-107.9	14.1	-167.5	-167.8	0	0	0	0	116.5
717	E	50.8	Low	56	Low	103 Å²	103	127.4 Å²	127.4	48%	0.481	68%	0.676	S	S	.	*			trans	-149.3	26.5	176.7	-155.9	146.9	-115.5	0	0	117	K719 W724	E717-K719 PolarHBondContact O-N 3.22Å; E717-K719 VanDerWaalsContact O-N 3.15Å; E717-W724 PolarHBondContact OE1-NE1 3.49Å
718	M	45.3	Very low	56.9	Low	202 Å²	202	127.6 Å²	127.6	100%	0.995	67%	0.665	S	S	*	*			trans	-87	45	172.6	-151.6	172.9	-167.5	0	0	113.7
719	K	51.2	Low	58.3	Low	176 Å²	176	125.8 Å²	125.8	77%	0.765	65%	0.649	S	S	*	*	S	Bend	trans	-146.5	109.1	172.8	-155.2	172.8	-174.8	-178.4	0	111.6	E717	E717-K719 PolarHBondContact O-N 3.22Å; E717-K719 VanDerWaalsContact O-N 3.15Å
720	M	42.3	Very low	59.9	Low	169 Å²	169	126.1 Å²	126.1	83%	0.833	64%	0.64	S	S	*	*	S	Bend	trans	50.2	81.3	163.9	-73	64.8	171.8	0	0	118.9	R722	M720-R722 PolarHBondContact O-N 3.36Å
721	G	56.5	Low	61.2	Low	90 Å²	90	126 Å²	126	93%	0.928	63%	0.633	S	S	*	*	S	Bend		87.1	1.9	115.6	0	0	0	0	0	121
722	R	76.7	Confident	62.7	Low	135 Å²	135	124 Å²	124	51%	0.509	62%	0.619	S	S	.	*			trans	-120.5	116.7	172	-167	178.3	-170.4	-84.8	3	112.2	M720 W724 E728	M720-R722 PolarHBondContact O-N 3.36Å; R722-W724 PolarHBondContact O-N 3.49Å; R722-E728 IonicContact CZ-OE1 3.61Å; R722-E728 IonicContact NH1-OE1 2.71Å; R722-E728 PolarHBondContact NH1-OE1 3.04Å; R722-E728 IonicContact NH1-OE2 3.88Å; R722-E728 IonicContact NH2-OE1 3.4Å; R722-E728 PolarHBondContact NH2-OE1 2.88Å
723	Y	69.6	Low	64.1	Low	214 Å²	214	122.6 Å²	122.6	84%	0.839	61%	0.611	S	S	*	*			trans	-77.8	105.2	170.7	-76.5	-82.1	0	0	0	110.9
724	W	75.4	Confident	65.2	Low	76 Å²	76	118.9 Å²	118.9	29%	0.288	60%	0.599	S	S	.	*			trans	-64.2	137.6	170.1	-55.1	96.4	0	0	0	111.4	E717 R722 E728 R729 H732	E717-W724 PolarHBondContact OE1-NE1 3.49Å; R722-W724 PolarHBondContact O-N 3.49Å; W724-E728 HydrophobicContact CB-CB 4.13Å; W724-E728 HydrophobicContact CE3-CB 3.98Å; W724-E728 HydrophobicContact CE3-CG 4.23Å; W724-R729 HydrophobicContact CB-CG 3.64Å; W724-R729 VanDerWaalsContact O-CZ 3.3Å; W724-R729 PolarHBondContact O-NE 3.35Å; W724-R729 PolarHBondContact O-NH2 3.21Å; W724-H732 AromaticContact CE3-NE2 3.82Å; W724-H732 AromaticContact CZ3-NE2 3.66Å
725	S	81.8	Confident	66.7	Low	56 Å²	56	121.3 Å²	121.3	39%	0.392	59%	0.591	S	S	.	*			trans	-63.8	163.1	169.7	70.7	0	0	0	0	111.8	E727 E728 R729	S725-E727 PolarHBondContact O-N 3.42Å; S725-E728 WeakPolarHBondContact CA-OE2 3.34Å; S725-E728 WeakPolarHBondContact CB-OE2 3.49Å; S725-E728 PolarHBondContact N-OE2 3.17Å; S725-E728 PolarHBondContact O-N 3.47Å; S725-E728 WeakPolarHBondContact OG-CG 3.49Å; S725-E728 PolarHBondContact OG-N 3.34Å; S725-E728 PolarHBondContact OG-OE2 2.75Å; S725-R729 WeakPolarHBondContact O-CG 3.41Å; S725-R729 PolarHBondContact O-N 2.97Å
726	K	65.4	Low	68.2	Low	191 Å²	191	115.8 Å²	115.8	83%	0.83	57%	0.572	S	S	*	*	H	α-helix	trans	-59.7	-30.9	179.9	-172.7	176.2	-179.8	179	0	113	K730	K726-K730 WeakPolarHBondContact O-CB 3.21Å; K726-K730 PolarHBondContact O-N 3.4Å
727	E	76.7	Confident	69.6	Low	108 Å²	108	118 Å²	118	51%	0.505	57%	0.565	S	S	.	*	H	α-helix	trans	-83.5	-38.5	179.3	-167.9	55.8	-141.5	0	0	111.8	S725 R729 K730 Q731	S725-E727 PolarHBondContact O-N 3.42Å; E727-R729 PolarHBondContact O-N 2.68Å; E727-K730 WeakPolarHBondContact O-CB 3.36Å; E727-K730 PolarHBondContact O-N 3.41Å; E727-K730 IonicContact OE1-NZ 2.65Å; E727-K730 PolarHBondContact OE1-NZ 3.35Å; E727-K730 IonicContact OE2-NZ 3.54Å; E727-K730 PolarHBondContact OE2-NZ 2.74Å; E727-Q731 WeakPolarHBondContact O-CB 3.46Å; E727-Q731 PolarHBondContact O-N 2.77Å
728	E	76.4	Confident	71.1	Confident	50 Å²	50	117.6 Å²	117.6	23%	0.234	56%	0.563	C	S	.	*	H	α-helix	trans	-56.4	-51.4	170.3	-75.8	160.8	118	0	0	110.7	R722 W724 S725 K730 Q731 H732	R722-E728 IonicContact CZ-OE1 3.61Å; R722-E728 IonicContact NH1-OE1 2.71Å; R722-E728 PolarHBondContact NH1-OE1 3.04Å; R722-E728 IonicContact NH1-OE2 3.88Å; R722-E728 IonicContact NH2-OE1 3.4Å; R722-E728 PolarHBondContact NH2-OE1 2.88Å; W724-E728 HydrophobicContact CB-CB 4.13Å; W724-E728 HydrophobicContact CE3-CB 3.98Å; W724-E728 HydrophobicContact CE3-CG 4.23Å; S725-E728 WeakPolarHBondContact CA-OE2 3.34Å; S725-E728 WeakPolarHBondContact CB-OE2 3.49Å; S725-E728 PolarHBondContact N-OE2 3.17Å; S725-E728 PolarHBondContact O-N 3.47Å; S725-E728 WeakPolarHBondContact OG-CG 3.49Å; S725-E728 PolarHBondContact OG-N 3.34Å; S725-E728 PolarHBondContact OG-OE2 2.75Å; E728-K730 VanDerWaalsContact C-N 3.26Å; E728-K730 PolarHBondContact O-N 3.33Å; E728-Q731 CarbonylContact O-C 3.52Å; E728-Q731 WeakPolarHBondContact O-CA 3.41Å; E728-Q731 WeakPolarHBondContact O-CB 3.17Å; E728-Q731 PolarHBondContact O-N 2.6Å; E728-H732 PolarHBondContact O-CD2 2.85Å; E728-H732 VanDerWaalsContact O-CD2 3.25Å; E728-H732 PolarHBondContact O-N 2.6Å
729	R	75.8	Confident	72.3	Confident	130 Å²	130	113.7 Å²	113.7	49%	0.491	54%	0.542	S	S	.	.	H	α-helix	trans	-56.9	-39.9	177.7	-64.6	-177	-140.5	-164	-0.7	112.6	W724 S725 E727 Q731 H732 L733	W724-R729 HydrophobicContact CB-CG 3.64Å; W724-R729 VanDerWaalsContact O-CZ 3.3Å; W724-R729 PolarHBondContact O-NE 3.35Å; W724-R729 PolarHBondContact O-NH2 3.21Å; S725-R729 WeakPolarHBondContact O-CG 3.41Å; S725-R729 PolarHBondContact O-N 2.97Å; E727-R729 PolarHBondContact O-N 2.68Å; R729-Q731 VanDerWaalsContact C-N 3.34Å; R729-H732 PolarHBondContact O-N 3.26Å; R729-L733 WeakPolarHBondContact O-CB 3.36Å; R729-L733 PolarHBondContact O-N 2.85Å
730	K	78.3	Confident	73.3	Confident	121 Å²	121	113.5 Å²	113.5	53%	0.526	54%	0.537	S	S	.	.	H	α-helix	trans	-65.3	-35.3	175.1	168.7	163.9	158.8	-86.3	0	112	K726 E727 E728 A734	K726-K730 WeakPolarHBondContact O-CB 3.21Å; K726-K730 PolarHBondContact O-N 3.4Å; E727-K730 WeakPolarHBondContact O-CB 3.36Å; E727-K730 PolarHBondContact O-N 3.41Å; E727-K730 IonicContact OE1-NZ 2.65Å; E727-K730 PolarHBondContact OE1-NZ 3.35Å; E727-K730 IonicContact OE2-NZ 3.54Å; E727-K730 PolarHBondContact OE2-NZ 2.74Å; E728-K730 VanDerWaalsContact C-N 3.26Å; E728-K730 PolarHBondContact O-N 3.33Å; K730-A734 WeakPolarHBondContact O-CB 3.41Å; K730-A734 PolarHBondContact O-N 3.16Å
731	Q	78.1	Confident	75.1	Confident	97 Å²	97	112.1 Å²	112.1	45%	0.453	53%	0.526	S	S	.	.	H	α-helix	trans	-73.7	-41.2	174.5	-162.1	178.1	31.2	0	0	112.5	E727 E728 R729 A734 R735	E727-Q731 WeakPolarHBondContact O-CB 3.46Å; E727-Q731 PolarHBondContact O-N 2.77Å; E728-Q731 CarbonylContact O-C 3.52Å; E728-Q731 WeakPolarHBondContact O-CA 3.41Å; E728-Q731 WeakPolarHBondContact O-CB 3.17Å; E728-Q731 PolarHBondContact O-N 2.6Å; R729-Q731 VanDerWaalsContact C-N 3.34Å; Q731-A734 WeakPolarHBondContact O-CB 3.11Å; Q731-A734 PolarHBondContact O-N 2.71Å; Q731-R735 WeakPolarHBondContact O-CG 3.47Å; Q731-R735 PolarHBondContact O-N 3.28Å
732	H	76.5	Confident	75.9	Confident	84 Å²	84	115.3 Å²	115.3	39%	0.389	51%	0.51	S	S	.	.	H	α-helix	trans	-60.7	-47.1	172.1	-81.1	-92.9	0	0	0	111.1	W724 E728 R729 A734 R735 A736	W724-H732 AromaticContact CE3-NE2 3.82Å; W724-H732 AromaticContact CZ3-NE2 3.66Å; E728-H732 PolarHBondContact O-CD2 2.85Å; E728-H732 VanDerWaalsContact O-CD2 3.25Å; E728-H732 PolarHBondContact O-N 2.6Å; R729-H732 PolarHBondContact O-N 3.26Å; H732-A734 VanDerWaalsContact C-N 3.29Å; H732-A734 PolarHBondContact O-N 3.3Å; H732-R735 PolarHBondContact O-N 3.23Å; H732-A736 WeakPolarHBondContact O-CB 3.47Å; H732-A736 PolarHBondContact O-N 3.2Å
733	L	74.9	Confident	75.6	Confident	90 Å²	90	117.5 Å²	117.5	47%	0.471	52%	0.518	S	S	.	.	H	α-helix	trans	-61.9	-35.2	174.6	-178	61.2	0	0	0	112.4	R729 R737	R729-L733 WeakPolarHBondContact O-CB 3.36Å; R729-L733 PolarHBondContact O-N 2.85Å; L733-R737 HydrophobicContact CD1-CG 4.41Å; L733-R737 VanDerWaalsContact O-CB 3.3Å; L733-R737 WeakPolarHBondContact O-CB 3.29Å; L733-R737 WeakPolarHBondContact O-CD 3.49Å; L733-R737 WeakPolarHBondContact O-CG 3.43Å; L733-R737 PolarHBondContact O-N 3.38Å
734	A	73.5	Confident	75.9	Confident	55 Å²	55	112.3 Å²	112.3	46%	0.455	50%	0.502	S	S	.	.	H	α-helix	trans	-67.2	-47.2	173.8	0	0	0	0	0	112	K730 Q731 H732 R737 E738	K730-A734 WeakPolarHBondContact O-CB 3.41Å; K730-A734 PolarHBondContact O-N 3.16Å; Q731-A734 WeakPolarHBondContact O-CB 3.11Å; Q731-A734 PolarHBondContact O-N 2.71Å; H732-A734 VanDerWaalsContact C-N 3.29Å; H732-A734 PolarHBondContact O-N 3.3Å; A734-R737 PolarHBondContact O-N 3.18Å; A734-E738 PolarHBondContact O-N 3.47Å
735	R	79.3	Confident	76.1	Confident	132 Å²	132	115.4 Å²	115.4	50%	0.498	52%	0.517	S	S	.	.	H	α-helix	trans	-59.2	-47	176	-72.5	173.8	-179.9	169.5	0.7	111.5	Q731 H732 R737 E738 Q739	Q731-R735 WeakPolarHBondContact O-CG 3.47Å; Q731-R735 PolarHBondContact O-N 3.28Å; H732-R735 PolarHBondContact O-N 3.23Å; R735-R737 PolarHBondContact O-N 2.85Å; R735-E738 PolarHBondContact O-N 3.32Å; R735-E738 VanDerWaalsContact O-N 3.12Å; R735-Q739 WeakPolarHBondContact O-CG 3.35Å; R735-Q739 PolarHBondContact O-N 3.46Å
736	A	77.1	Confident	75.6	Confident	51 Å²	51	118.5 Å²	118.5	42%	0.421	53%	0.527	S	S	.	.	H	α-helix	trans	-62.5	-41.1	176.9	0	0	0	0	0	112.5	H732 E738 Q739 R740	H732-A736 WeakPolarHBondContact O-CB 3.47Å; H732-A736 PolarHBondContact O-N 3.2Å; A736-E738 VanDerWaalsContact C-N 3.31Å; A736-E738 PolarHBondContact O-N 3.07Å; A736-Q739 PolarHBondContact O-N 3.08Å; A736-R740 WeakPolarHBondContact O-CB 3.4Å; A736-R740 PolarHBondContact O-N 3.42Å
737	R	79.4	Confident	75.7	Confident	148 Å²	148	115.8 Å²	115.8	56%	0.558	52%	0.517	S	S	*	.	H	α-helix	trans	-65.4	-32.3	173.3	-75.7	170.3	176.6	-165.3	-2.1	112.7	L733 A734 R735 K741	L733-R737 HydrophobicContact CD1-CG 4.41Å; L733-R737 VanDerWaalsContact O-CB 3.3Å; L733-R737 WeakPolarHBondContact O-CB 3.29Å; L733-R737 WeakPolarHBondContact O-CD 3.49Å; L733-R737 WeakPolarHBondContact O-CG 3.43Å; L733-R737 PolarHBondContact O-N 3.38Å; A734-R737 PolarHBondContact O-N 3.18Å; R735-R737 PolarHBondContact O-N 2.85Å; R737-K741 VanDerWaalsContact O-CG 3.32Å; R737-K741 WeakPolarHBondContact O-CG 3.27Å; R737-K741 PolarHBondContact O-N 2.97Å
738	E	81.9	Confident	75.4	Confident	94 Å²	94	117.1 Å²	117.1	44%	0.439	52%	0.522	S	S	.	.	H	α-helix	trans	-74.1	-47.4	174.5	-165.9	-176.3	151.9	0	0	111.7	A734 R735 A736 R740 K741 R742	A734-E738 PolarHBondContact O-N 3.47Å; R735-E738 PolarHBondContact O-N 3.32Å; R735-E738 VanDerWaalsContact O-N 3.12Å; A736-E738 VanDerWaalsContact C-N 3.31Å; A736-E738 PolarHBondContact O-N 3.07Å; E738-R740 VanDerWaalsContact C-N 3.3Å; E738-R740 PolarHBondContact O-N 3.17Å; E738-K741 CarbonylContact O-C 3.58Å; E738-K741 WeakPolarHBondContact O-CA 3.45Å; E738-K741 WeakPolarHBondContact O-CB 3.48Å; E738-K741 PolarHBondContact O-N 3.1Å; E738-K741 VanDerWaalsContact O-N 3.07Å; E738-R742 HydrophobicContact CG-CG 4.46Å; E738-R742 WeakPolarHBondContact O-CG 3.28Å; E738-R742 PolarHBondContact O-N 3.11Å; E738-R742 IonicContact OE1-CZ 2.81Å; E738-R742 VanDerWaalsContact OE1-CZ 3.25Å; E738-R742 IonicContact OE1-NE 3.6Å; E738-R742 PolarHBondContact OE1-NE 3.48Å; E738-R742 IonicContact OE1-NH2 3.05Å; E738-R742 PolarHBondContact OE1-NH2 2.94Å
739	Q	70.9	Confident	74.9	Confident	121 Å²	121	117.3 Å²	117.3	57%	0.565	53%	0.528	S	S	*	.	H	α-helix	trans	-56	-43.5	174.6	-76.2	177.1	-24.1	0	0	111.6	R735 A736 K741 R742 R743	R735-Q739 WeakPolarHBondContact O-CG 3.35Å; R735-Q739 PolarHBondContact O-N 3.46Å; A736-Q739 PolarHBondContact O-N 3.08Å; Q739-K741 PolarHBondContact O-N 2.82Å; Q739-R742 PolarHBondContact O-N 3.43Å; Q739-R743 WeakPolarHBondContact O-CG 3.5Å; Q739-R743 PolarHBondContact O-N 3.3Å
740	R	72.4	Confident	74.5	Confident	172 Å²	172	120.4 Å²	120.4	65%	0.649	54%	0.54	S	S	*	.	H	α-helix	trans	-58.7	-46.7	173.7	-172.7	174.6	-69.6	166.8	-0.5	111.6	A736 E738 R742 R743 E744	A736-R740 WeakPolarHBondContact O-CB 3.4Å; A736-R740 PolarHBondContact O-N 3.42Å; E738-R740 VanDerWaalsContact C-N 3.3Å; E738-R740 PolarHBondContact O-N 3.17Å; R740-R742 PolarHBondContact O-N 3.45Å; R740-R743 PolarHBondContact O-N 3.17Å; R740-E744 WeakPolarHBondContact CG-OE1 3.39Å; R740-E744 WeakPolarHBondContact O-CB 3.47Å; R740-E744 VanDerWaalsContact O-CG 3.31Å; R740-E744 WeakPolarHBondContact O-CG 3.4Å; R740-E744 PolarHBondContact O-N 2.67Å
741	K	79.6	Confident	73.7	Confident	140 Å²	140	119.7 Å²	119.7	61%	0.609	54%	0.542	S	S	*	.	H	α-helix	trans	-63.6	-36.1	174.7	-73.9	172.7	-179.7	179.8	0	113.6	R737 E738 Q739 F745	R737-K741 VanDerWaalsContact O-CG 3.32Å; R737-K741 WeakPolarHBondContact O-CG 3.27Å; R737-K741 PolarHBondContact O-N 2.97Å; E738-K741 CarbonylContact O-C 3.58Å; E738-K741 WeakPolarHBondContact O-CA 3.45Å; E738-K741 WeakPolarHBondContact O-CB 3.48Å; E738-K741 PolarHBondContact O-N 3.1Å; E738-K741 VanDerWaalsContact O-N 3.07Å; Q739-K741 PolarHBondContact O-N 2.82Å; K741-F745 VanDerWaalsContact O-CB 3.22Å; K741-F745 WeakPolarHBondContact O-CB 3.13Å; K741-F745 PolarHBondContact O-N 2.96Å
742	R	73.9	Confident	72.8	Confident	157 Å²	157	119.4 Å²	119.4	59%	0.592	54%	0.543	S	S	*	.	H	α-helix	trans	-65.5	-46.1	174.5	-70.2	-179.3	-176.1	-156.6	6.1	110.4	E738 Q739 R740 F745 M746	E738-R742 HydrophobicContact CG-CG 4.46Å; E738-R742 WeakPolarHBondContact O-CG 3.28Å; E738-R742 PolarHBondContact O-N 3.11Å; E738-R742 IonicContact OE1-CZ 2.81Å; E738-R742 VanDerWaalsContact OE1-CZ 3.25Å; E738-R742 IonicContact OE1-NE 3.6Å; E738-R742 PolarHBondContact OE1-NE 3.48Å; E738-R742 IonicContact OE1-NH2 3.05Å; E738-R742 PolarHBondContact OE1-NH2 2.94Å; Q739-R742 PolarHBondContact O-N 3.43Å; R740-R742 PolarHBondContact O-N 3.45Å; R742-F745 PolarHBondContact O-N 3.15Å; R742-M746 WeakPolarHBondContact O-CG 3.46Å; R742-M746 PolarHBondContact O-N 2.94Å
743	R	69.6	Low	71.6	Confident	181 Å²	181	119.7 Å²	119.7	68%	0.683	55%	0.554	S	S	*	*	H	α-helix	trans	-61.5	-48.1	174.8	-71.8	-178.8	177	-169.3	-1.8	111.9	Q739 R740 F745 M746 Q747	Q739-R743 WeakPolarHBondContact O-CG 3.5Å; Q739-R743 PolarHBondContact O-N 3.3Å; R740-R743 PolarHBondContact O-N 3.17Å; R743-F745 VanDerWaalsContact C-N 3.34Å; R743-F745 PolarHBondContact O-N 3.42Å; R743-M746 PolarHBondContact O-N 2.93Å; R743-Q747 WeakPolarHBondContact O-CB 3.49Å; R743-Q747 PolarHBondContact O-N 3.13Å
744	E	75.9	Confident	70.5	Confident	104 Å²	104	121.9 Å²	121.9	49%	0.486	57%	0.565	S	S	.	*	H	α-helix	trans	-56.9	-43.8	173.5	-75	169.1	-167.3	0	0	112.1	R740 K748	R740-E744 WeakPolarHBondContact CG-OE1 3.39Å; R740-E744 WeakPolarHBondContact O-CB 3.47Å; R740-E744 VanDerWaalsContact O-CG 3.31Å; R740-E744 WeakPolarHBondContact O-CG 3.4Å; R740-E744 PolarHBondContact O-N 2.67Å; E744-K748 WeakPolarHBondContact O-CB 3.49Å; E744-K748 PolarHBondContact O-N 3.46Å
745	F	81.3	Confident	69.5	Low	141 Å²	141	127.6 Å²	127.6	62%	0.618	58%	0.58	S	S	*	*	H	α-helix	trans	-65.5	-43.8	178.1	-179.2	-96.7	0	0	0	112.1	K741 R742 R743 K748 S749	K741-F745 VanDerWaalsContact O-CB 3.22Å; K741-F745 WeakPolarHBondContact O-CB 3.13Å; K741-F745 PolarHBondContact O-N 2.96Å; R742-F745 PolarHBondContact O-N 3.15Å; R743-F745 VanDerWaalsContact C-N 3.34Å; R743-F745 PolarHBondContact O-N 3.42Å; F745-K748 PolarHBondContact O-N 3.17Å; F745-S749 WeakPolarHBondContact O-CB 3.32Å; F745-S749 PolarHBondContact O-N 2.94Å
746	M	70.8	Confident	68	Low	122 Å²	122	129.4 Å²	129.4	60%	0.601	59%	0.594	S	S	*	*	H	α-helix	trans	-65.4	-45.2	175.7	-70	-152.4	-63	0	0	112.2	R742 R743 K748 S749 R750	R742-M746 WeakPolarHBondContact O-CG 3.46Å; R742-M746 PolarHBondContact O-N 2.94Å; R743-M746 PolarHBondContact O-N 2.93Å; M746-K748 VanDerWaalsContact C-N 3.32Å; M746-K748 PolarHBondContact O-N 3.08Å; M746-S749 PolarHBondContact O-N 2.93Å; M746-R750 WeakPolarHBondContact O-CG 3.33Å; M746-R750 PolarHBondContact O-N 2.84Å
747	Q	68.3	Low	66.3	Low	133 Å²	133	129 Å²	129	62%	0.621	59%	0.594	S	S	*	*	H	α-helix	trans	-61	-42.9	177.4	-170.3	-178.1	45.1	0	0	111.2	R743 R750 L751	R743-Q747 WeakPolarHBondContact O-CB 3.49Å; R743-Q747 PolarHBondContact O-N 3.13Å; Q747-R750 PolarHBondContact O-N 2.84Å; Q747-L751 WeakPolarHBondContact O-CG 3.34Å; Q747-L751 PolarHBondContact O-N 3.49Å
748	K	69.1	Low	64.6	Low	136 Å²	136	129 Å²	129	59%	0.591	61%	0.614	S	S	*	*	H	α-helix	trans	-65	-40	174.5	-172.3	167.2	-176.1	171.6	0	112.4	E744 F745 M746 L751 D752	E744-K748 WeakPolarHBondContact O-CB 3.49Å; E744-K748 PolarHBondContact O-N 3.46Å; F745-K748 PolarHBondContact O-N 3.17Å; M746-K748 VanDerWaalsContact C-N 3.32Å; M746-K748 PolarHBondContact O-N 3.08Å; K748-L751 PolarHBondContact O-N 3.09Å; K748-D752 WeakPolarHBondContact O-CB 3.48Å; K748-D752 PolarHBondContact O-N 2.66Å
749	S	66.1	Low	62.7	Low	54 Å²	54	129.4 Å²	129.4	38%	0.378	63%	0.633	S	S	.	*	H	α-helix	trans	-64.9	-38.3	174.9	-162.5	0	0	0	0	112.2	F745 M746 D752 C753	F745-S749 WeakPolarHBondContact O-CB 3.32Å; F745-S749 PolarHBondContact O-N 2.94Å; M746-S749 PolarHBondContact O-N 2.93Å; S749-D752 PolarHBondContact O-N 3.17Å; S749-C753 WeakPolarHBondContact O-CB 3.39Å; S749-C753 PolarHBondContact O-N 2.93Å; S749-C753 PolarHBondContact O-SG 3.2Å
750	R	67.9	Low	61.2	Low	195 Å²	195	129.1 Å²	129.1	74%	0.736	64%	0.644	S	S	*	*	H	α-helix	trans	-63.4	-41	173.2	-69.8	175.5	86.3	170.9	4.9	111.2	M746 Q747 C753 L754	M746-R750 WeakPolarHBondContact O-CG 3.33Å; M746-R750 PolarHBondContact O-N 2.84Å; Q747-R750 PolarHBondContact O-N 2.84Å; R750-C753 PolarHBondContact O-N 2.7Å; R750-L754 WeakPolarHBondContact O-CB 3.17Å; R750-L754 WeakPolarHBondContact O-CG 3.2Å; R750-L754 PolarHBondContact O-N 2.8Å
751	L	61.1	Low	59.9	Low	107 Å²	107	123.8 Å²	123.8	56%	0.56	64%	0.643	S	S	*	*	H	α-helix	trans	-68.1	-40	175.9	-74	166.6	0	0	0	113.3	Q747 K748 L754 K755	Q747-L751 WeakPolarHBondContact O-CG 3.34Å; Q747-L751 PolarHBondContact O-N 3.49Å; K748-L751 PolarHBondContact O-N 3.09Å; L751-L754 PolarHBondContact O-N 3.2Å; L751-K755 PolarHBondContact O-N 3.2Å
752	D	58.7	Low	58.2	Low	90 Å²	90	123.9 Å²	123.9	48%	0.481	66%	0.656	S	S	.	*	H	α-helix	trans	-68.1	-38	175.2	-75.8	-33	0	0	0	110.9	K748 S749 K755	K748-D752 WeakPolarHBondContact O-CB 3.48Å; K748-D752 PolarHBondContact O-N 2.66Å; S749-D752 PolarHBondContact O-N 3.17Å; D752-K755 WeakPolarHBondContact O-CB 3.39Å; D752-K755 PolarHBondContact O-N 2.93Å; D752-K755 VanDerWaalsContact O-N 3.16Å
753	C	51.8	Low	56.7	Low	91 Å²	91	125.5 Å²	125.5	62%	0.615	67%	0.67	S	S	*	*	H	α-helix	trans	-63.3	-41.1	171.5	-70.3	0	0	0	0	112.9	S749 R750 K755 E756	S749-C753 WeakPolarHBondContact O-CB 3.39Å; S749-C753 PolarHBondContact O-N 2.93Å; S749-C753 PolarHBondContact O-SG 3.2Å; R750-C753 PolarHBondContact O-N 2.7Å; C753-K755 PolarHBondContact O-N 3.09Å; C753-E756 PolarHBondContact O-N 3.11Å
754	L	51.5	Low	55.1	Low	136 Å²	136	120.1 Å²	120.1	71%	0.712	67%	0.671	S	S	*	*	H	α-helix	trans	-63.5	-20.2	174.7	-81.5	162.6	0	0	0	113.1	R750 L751	R750-L754 WeakPolarHBondContact O-CB 3.17Å; R750-L754 WeakPolarHBondContact O-CG 3.2Å; R750-L754 PolarHBondContact O-N 2.8Å; L751-L754 PolarHBondContact O-N 3.2Å
755	K	52.6	Low	53.7	Low	174 Å²	174	124.6 Å²	124.6	76%	0.757	69%	0.689	S	S	*	*	H	α-helix	trans	-81.8	-16.9	180	-162.3	177.1	176.6	-173.7	0	113.7	L751 D752 C753	L751-K755 PolarHBondContact O-N 3.2Å; D752-K755 WeakPolarHBondContact O-CB 3.39Å; D752-K755 PolarHBondContact O-N 2.93Å; D752-K755 VanDerWaalsContact O-N 3.16Å; C753-K755 PolarHBondContact O-N 3.09Å
756	E	48.2	Very low	52.2	Low	170 Å²	170	127.3 Å²	127.3	79%	0.794	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	31.2	174.7	-59.8	-164.5	162.7	0	0	112.2	C753	C753-E756 PolarHBondContact O-N 3.11Å
757	G	40.7	Very low	51.1	Low	42 Å²	42	129.1 Å²	129.1	43%	0.433	71%	0.707	S	S	.	*	S	Bend	trans	-71.7	161.6	168.6	0	0	0	0	0	114	A759	G757-A759 VanDerWaalsContact C-N 3.34Å; G757-A759 PolarHBondContact O-N 2.88Å
758	P	44.3	Very low	50.5	Low	150 Å²	150	128.6 Å²	128.6	97%	0.974	71%	0.708	S	S	*	*	S	Bend	trans	-81.6	65.1	-159.7	33.8	-38.6	0	0	0	114.7
759	A	41.4	Very low	50.2	Low	101 Å²	101	126.1 Å²	126.1	84%	0.835	70%	0.701	S	S	*	*			trans	-118.4	12.7	-179.3	0	0	0	0	0	114.8	G757	G757-A759 VanDerWaalsContact C-N 3.34Å; G757-A759 PolarHBondContact O-N 2.88Å
760	S	40.1	Very low	49.9	Very low	115 Å²	115	130 Å²	130	80%	0.804	72%	0.716	S	S	*	*			trans	-126.5	81.3	177.8	-172.2	0	0	0	0	111.7
761	G	46	Very low	49.4	Very low	61 Å²	61	127 Å²	127	63%	0.629	71%	0.714	S	S	*	*			trans	-67.6	158	164.1	0	0	0	0	0	111.6
762	T	44	Very low	49.3	Very low	141 Å²	141	128.3 Å²	128.3	87%	0.865	72%	0.717	S	S	*	*	S	Bend	trans	48.5	85.1	173.9	60.3	0	0	0	0	114.3
763	E	40.8	Very low	49.3	Very low	191 Å²	191	128.4 Å²	128.4	89%	0.893	72%	0.717	S	S	*	*	S	Bend		-167.3	163.8	73.7	-83.6	-169.2	141.7	0	0	112.1
764	G	36.9	Very low	49.5	Very low	69 Å²	69	127.6 Å²	127.6	71%	0.711	71%	0.712	S	S	*	*			trans	64.6	81.2	154.7	0	0	0	0	0	117.3	K766	G764-K766 PolarHBondContact O-N 2.87Å
765	K	46.5	Very low	49.8	Very low	198 Å²	198	125.8 Å²	125.8	86%	0.861	70%	0.7	S	S	*	*			trans	-54.1	107.2	163.1	-73.7	-174.2	176.8	-173.9	0	110.4
766	K	50	Low	50.4	Low	197 Å²	197	124.5 Å²	124.5	86%	0.857	70%	0.695	S	S	*	*			trans	-107.9	93.6	158.5	-74.3	-176	178.6	177.4	0	107.6	G764	G764-K766 PolarHBondContact O-N 2.87Å
767	E	46.8	Very low	51.2	Low	160 Å²	160	124.3 Å²	124.3	75%	0.748	69%	0.691	S	S	*	*			trans	-55.5	136.8	171.3	-66.5	169.3	-178.3	0	0	109	N769	E767-N769 PolarHBondContact O-N 3.38Å
768	I	55.3	Low	51.6	Low	123 Å²	123	126.2 Å²	126.2	63%	0.631	69%	0.69	S	S	*	*			trans	-65.9	99.3	-174.1	-59.2	175.8	0	0	0	108.2	I770 L773	I768-I770 PolarHBondContact O-N 3.2Å; I768-L773 HydrophobicContact CG2-CD1 3.89Å; I768-L773 HydrophobicContact CG2-CD2 4.13Å; I768-L773 HydrophobicContact CG2-CG 3.97Å
769	N	63.1	Low	51.9	Low	83 Å²	83	122.3 Å²	122.3	44%	0.444	66%	0.659	S	S	.	*			trans	-68.3	126.9	-161.8	-172.9	-19.2	0	0	0	111	E767 L771 E772 L773	E767-N769 PolarHBondContact O-N 3.38Å; N769-L771 PolarHBondContact O-N 3.17Å; N769-L771 WeakPolarHBondContact OD1-CB 3.49Å; N769-L771 PolarHBondContact OD1-N 3.33Å; N769-E772 HydrophobicContact CB-CB 4.11Å; N769-E772 WeakPolarHBondContact O-CA 3.46Å; N769-E772 WeakPolarHBondContact O-CB 3.45Å; N769-E772 PolarHBondContact O-N 3.11Å; N769-L773 PolarHBondContact O-N 3.16Å
770	I	59.8	Low	52.6	Low	136 Å²	136	125.1 Å²	125.1	70%	0.697	65%	0.653	S	S	*	*	H	α-helix	trans	-60.3	-31.2	-179.7	-58.9	173.9	0	0	0	111	I768 E772 S774	I768-I770 PolarHBondContact O-N 3.2Å; I770-E772 VanDerWaalsContact C-N 3.34Å; I770-S774 WeakPolarHBondContact O-CB 3.22Å; I770-S774 PolarHBondContact O-N 3.26Å
771	L	57.1	Low	53.4	Low	133 Å²	133	127.8 Å²	127.8	70%	0.696	65%	0.65	S	S	*	*	H	α-helix	trans	-64	-37.2	170.6	-96.7	67.3	0	0	0	112.4	N769 S774 H775	N769-L771 PolarHBondContact O-N 3.17Å; N769-L771 WeakPolarHBondContact OD1-CB 3.49Å; N769-L771 PolarHBondContact OD1-N 3.33Å; L771-S774 PolarHBondContact O-N 3.06Å; L771-H775 WeakPolarHBondContact O-CB 3.45Å; L771-H775 PolarHBondContact O-N 2.77Å
772	E	60.6	Low	53.6	Low	134 Å²	134	132.4 Å²	132.4	63%	0.626	65%	0.648	S	S	*	*	H	α-helix	trans	-75.8	-39.9	-177.7	-163.7	167.9	-144.9	0	0	111	N769 I770 H775 K776	N769-E772 HydrophobicContact CB-CB 4.11Å; N769-E772 WeakPolarHBondContact O-CA 3.46Å; N769-E772 WeakPolarHBondContact O-CB 3.45Å; N769-E772 PolarHBondContact O-N 3.11Å; I770-E772 VanDerWaalsContact C-N 3.34Å; E772-H775 PolarHBondContact O-N 3.43Å; E772-K776 VanDerWaalsContact O-CB 3.28Å; E772-K776 WeakPolarHBondContact O-CB 3.43Å; E772-K776 PolarHBondContact O-N 2.98Å
773	L	58.9	Low	53.5	Low	91 Å²	91	131.9 Å²	131.9	48%	0.476	64%	0.64	S	S	.	*	H	α-helix	trans	-61.4	-42.5	167.7	-69.2	175.8	0	0	0	111.9	I768 N769 K776 K777	I768-L773 HydrophobicContact CG2-CD1 3.89Å; I768-L773 HydrophobicContact CG2-CD2 4.13Å; I768-L773 HydrophobicContact CG2-CG 3.97Å; N769-L773 PolarHBondContact O-N 3.16Å; L773-K776 PolarHBondContact O-N 3.12Å; L773-K777 WeakPolarHBondContact O-CB 3.17Å; L773-K777 PolarHBondContact O-N 3.26Å
774	S	55	Low	53.9	Low	74 Å²	74	131.1 Å²	131.1	52%	0.517	63%	0.634	S	S	.	*	H	α-helix	trans	-61.4	-45	174.6	-176.4	0	0	0	0	111.8	I770 L771 K776 K777 M778	I770-S774 WeakPolarHBondContact O-CB 3.22Å; I770-S774 PolarHBondContact O-N 3.26Å; L771-S774 PolarHBondContact O-N 3.06Å; S774-K776 PolarHBondContact O-N 2.65Å; S774-K777 PolarHBondContact O-N 3.1Å; S774-M778 WeakPolarHBondContact O-CB 3.36Å; S774-M778 PolarHBondContact O-N 2.85Å
775	H	57.7	Low	54.6	Low	99 Å²	99	134.2 Å²	134.2	46%	0.458	63%	0.628	S	S	.	*	H	α-helix	trans	-63.2	-41.6	175.9	-170	-101.4	0	0	0	112	L771 E772 M778 M779	L771-H775 WeakPolarHBondContact O-CB 3.45Å; L771-H775 PolarHBondContact O-N 2.77Å; E772-H775 PolarHBondContact O-N 3.43Å; H775-M778 WeakPolarHBondContact CD2-CE 3.4Å; H775-M778 PolarHBondContact O-N 2.89Å; H775-M779 WeakPolarHBondContact NE2-CE 3.44Å; H775-M779 WeakPolarHBondContact O-CG 3.46Å; H775-M779 PolarHBondContact O-N 2.68Å
776	K	65	Low	54.8	Low	147 Å²	147	131.7 Å²	131.7	64%	0.639	62%	0.622	S	S	*	*	H	α-helix	trans	-64.6	-38.2	175.3	-157	169.7	-173.4	175.6	0	111.7	E772 L773 S774 K780	E772-K776 VanDerWaalsContact O-CB 3.28Å; E772-K776 WeakPolarHBondContact O-CB 3.43Å; E772-K776 PolarHBondContact O-N 2.98Å; L773-K776 PolarHBondContact O-N 3.12Å; S774-K776 PolarHBondContact O-N 2.65Å; K776-K780 PolarHBondContact O-N 2.82Å
777	K	64.4	Low	54.6	Low	165 Å²	165	129.4 Å²	129.4	72%	0.717	62%	0.619	S	S	*	*	H	α-helix	trans	-67.2	-43.2	172.8	-169.8	172.3	-177.7	174.3	0	111.6	L773 S774 K780 K781	L773-K777 WeakPolarHBondContact O-CB 3.17Å; L773-K777 PolarHBondContact O-N 3.26Å; S774-K777 PolarHBondContact O-N 3.1Å; K777-K780 PolarHBondContact O-N 3.47Å; K777-K781 PolarHBondContact O-N 2.77Å
778	M	49.5	Very low	54.5	Low	82 Å²	82	126 Å²	126	40%	0.404	61%	0.606	S	S	.	*	H	α-helix	trans	-61.6	-44.4	174.3	175.7	174.8	56.5	0	0	112.1	S774 H775 K781 R782	S774-M778 WeakPolarHBondContact O-CB 3.36Å; S774-M778 PolarHBondContact O-N 2.85Å; H775-M778 WeakPolarHBondContact CD2-CE 3.4Å; H775-M778 PolarHBondContact O-N 2.89Å; M778-K781 CarbonylContact O-C 3.59Å; M778-K781 PolarHBondContact O-N 3.03Å; M778-K781 VanDerWaalsContact O-N 3.12Å; M778-R782 PolarHBondContact O-N 2.82Å
779	M	50.3	Low	54.1	Low	69 Å²	69	127.5 Å²	127.5	34%	0.34	62%	0.615	S	S	.	*	H	α-helix	trans	-70.7	-33.1	179.5	-69	-58	-178.4	0	0	112.7	H775 R782 N783	H775-M779 WeakPolarHBondContact NE2-CE 3.44Å; H775-M779 WeakPolarHBondContact O-CG 3.46Å; H775-M779 PolarHBondContact O-N 2.68Å; M779-R782 PolarHBondContact O-N 2.68Å; M779-N783 PolarHBondContact O-N 2.78Å; M779-N783 VanDerWaalsContact O-N 3.09Å; M779-N783 PolarHBondContact O-ND2 2.79Å
780	K	57.1	Low	53.2	Low	160 Å²	160	135 Å²	135	70%	0.696	64%	0.637	S	S	*	*	H	α-helix	trans	-61.5	-41.8	165.2	-80.6	-170.8	173.2	-173.5	0	111.8	K776 K777 R782 N783 K784	K776-K780 PolarHBondContact O-N 2.82Å; K777-K780 PolarHBondContact O-N 3.47Å; K780-R782 VanDerWaalsContact C-N 3.33Å; K780-R782 PolarHBondContact O-N 2.73Å; K780-N783 PolarHBondContact O-N 3.27Å; K780-K784 PolarHBondContact O-N 3.33Å
781	K	56.3	Low	52.9	Low	171 Å²	171	131.9 Å²	131.9	74%	0.743	62%	0.62	S	S	*	*	H	α-helix	trans	-68	-28	178.8	-158	171.9	-174.3	178	0	113.4	K777 M778	K777-K781 PolarHBondContact O-N 2.77Å; M778-K781 CarbonylContact O-C 3.59Å; M778-K781 PolarHBondContact O-N 3.03Å; M778-K781 VanDerWaalsContact O-N 3.12Å
782	R	51.1	Low	53.1	Low	157 Å²	157	128.9 Å²	128.9	59%	0.592	61%	0.608	S	S	*	*	H	α-helix	trans	-70.9	-45.8	168.6	-79.4	-176	170.2	135.6	-0.8	112.5	M778 M779 K780 K784 K785	M778-R782 PolarHBondContact O-N 2.82Å; M779-R782 PolarHBondContact O-N 2.68Å; K780-R782 VanDerWaalsContact C-N 3.33Å; K780-R782 PolarHBondContact O-N 2.73Å; R782-K784 PolarHBondContact O-N 3Å; R782-K785 PolarHBondContact O-N 3.49Å
783	N	40.8	Very low	52.7	Low	130 Å²	130	128.9 Å²	128.9	70%	0.695	61%	0.61	S	S	*	*	H	α-helix	trans	-69.6	-13.2	-178.8	-78.2	-83.9	0	0	0	114.3	M779 K780 K785	M779-N783 PolarHBondContact O-N 2.78Å; M779-N783 VanDerWaalsContact O-N 3.09Å; M779-N783 PolarHBondContact O-ND2 2.79Å; K780-N783 PolarHBondContact O-N 3.27Å; N783-K785 VanDerWaalsContact C-N 3.31Å
784	K	50.3	Low	52.2	Low	176 Å²	176	131.8 Å²	131.8	77%	0.765	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	-11.9	173.5	-136.3	-174.6	-178.4	-167.2	0	113.7	K780 R782 I786	K780-K784 PolarHBondContact O-N 3.33Å; R782-K784 PolarHBondContact O-N 3Å; K784-I786 PolarHBondContact O-N 3.44Å
785	K	51	Low	52.3	Low	133 Å²	133	132.2 Å²	132.2	58%	0.578	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	64.7	-175	-75.7	-156.9	164.6	-148.6	0	114.3	R782 N783	R782-K785 PolarHBondContact O-N 3.49Å; N783-K785 VanDerWaalsContact C-N 3.31Å
786	I	50.3	Low	52.3	Low	145 Å²	145	132.7 Å²	132.7	74%	0.744	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.8	-24.8	164.8	-56.4	-178.3	0	0	0	111.8	K784	K784-I786 PolarHBondContact O-N 3.44Å
787	L	45.9	Very low	51.7	Low	149 Å²	149	133.1 Å²	133.1	78%	0.78	63%	0.627	S	S	*	*			trans	-134.9	47.9	-176.2	-65.2	173.7	0	0	0	112.7
788	D	44.3	Very low	51.3	Low	89 Å²	89	129.1 Å²	129.1	48%	0.476	62%	0.62	S	S	.	*			trans	-81.9	112.8	156.4	-77.1	-42.8	0	0	0	107.4	W790 M791	D788-W790 PolarHBondContact O-N 3.39Å; D788-M791 PolarHBondContact O-N 3.42Å; D788-M791 VanDerWaalsContact O-N 3.16Å
789	N	47.6	Very low	51.3	Low	154 Å²	154	132.7 Å²	132.7	82%	0.824	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	8.6	-174.8	-79.2	-7.8	0	0	0	115.5
790	W	45.3	Very low	51.3	Low	242 Å²	242	132.2 Å²	132.2	92%	0.917	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.2	7.8	179.7	-69.3	92.3	0	0	0	113.4	D788 T792	D788-W790 PolarHBondContact O-N 3.39Å; W790-T792 PolarHBondContact O-N 3.5Å; W790-T792 VanDerWaalsContact O-N 3.15Å
791	M	53.1	Low	50.8	Low	70 Å²	70	128.6 Å²	128.6	35%	0.345	65%	0.648	S	S	.	*			trans	-61.5	114.1	172.2	-171	76.4	64.4	0	0	109.8	D788 E795 L796	D788-M791 PolarHBondContact O-N 3.42Å; D788-M791 VanDerWaalsContact O-N 3.16Å; M791-E795 HydrophobicContact CG-CB 4.42Å; M791-E795 HydrophobicContact SD-CB 3.85Å; M791-L796 HydrophobicContact CG-CB 4.47Å
792	T	61.7	Low	50.3	Low	70 Å²	70	132.4 Å²	132.4	43%	0.429	66%	0.658	S	S	.	*			trans	-69.8	151.8	179.9	62.6	0	0	0	0	111.3	W790 Q794 E795 L796	W790-T792 PolarHBondContact O-N 3.5Å; W790-T792 VanDerWaalsContact O-N 3.15Å; T792-Q794 PolarHBondContact O-N 3.07Å; T792-E795 WeakPolarHBondContact CB-OE2 3.33Å; T792-E795 WeakPolarHBondContact CG2-OE2 3.39Å; T792-E795 PolarHBondContact N-OE2 2.99Å; T792-E795 PolarHBondContact O-N 3.08Å; T792-E795 VanDerWaalsContact O-N 3.08Å; T792-E795 WeakPolarHBondContact OG1-CB 3.47Å; T792-E795 VanDerWaalsContact OG1-CG 3.27Å; T792-E795 WeakPolarHBondContact OG1-CG 3.43Å; T792-E795 PolarHBondContact OG1-N 3.07Å; T792-E795 VanDerWaalsContact OG1-N 3.17Å; T792-E795 PolarHBondContact OG1-OE2 3.22Å; T792-L796 PolarHBondContact O-N 2.97Å
793	I	51.8	Low	49.8	Very low	133 Å²	133	130.4 Å²	130.4	68%	0.682	66%	0.662	S	S	*	*	H	α-helix	trans	-56.1	-34.9	175.2	-60.9	173.5	0	0	0	110.4	L796 M797	I793-L796 PolarHBondContact O-N 3.47Å; I793-M797 HydrophobicContact CG2-SD 4.16Å; I793-M797 WeakPolarHBondContact O-CB 3.49Å; I793-M797 WeakPolarHBondContact O-CG 3.39Å; I793-M797 PolarHBondContact O-N 3.2Å
794	Q	48.2	Very low	49.8	Very low	153 Å²	153	129.5 Å²	129.5	72%	0.715	66%	0.664	S	S	*	*	H	α-helix	trans	-67.3	-41.6	176.9	-172.5	170.8	-15.2	0	0	112.7	T792 S798	T792-Q794 PolarHBondContact O-N 3.07Å; Q794-S798 VanDerWaalsContact O-CB 3.28Å; Q794-S798 WeakPolarHBondContact O-CB 3.36Å; Q794-S798 PolarHBondContact O-N 3.45Å; Q794-S798 PolarHBondContact O-OG 3.36Å
795	E	55.8	Low	49.6	Very low	82 Å²	82	131 Å²	131	38%	0.383	67%	0.673	S	S	.	*	H	α-helix	trans	-66.3	-40.7	172.3	-74.1	165.3	111.3	0	0	112.1	M791 T792 M797 S798 H799	M791-E795 HydrophobicContact CG-CB 4.42Å; M791-E795 HydrophobicContact SD-CB 3.85Å; T792-E795 WeakPolarHBondContact CB-OE2 3.33Å; T792-E795 WeakPolarHBondContact CG2-OE2 3.39Å; T792-E795 PolarHBondContact N-OE2 2.99Å; T792-E795 PolarHBondContact O-N 3.08Å; T792-E795 VanDerWaalsContact O-N 3.08Å; T792-E795 WeakPolarHBondContact OG1-CB 3.47Å; T792-E795 VanDerWaalsContact OG1-CG 3.27Å; T792-E795 WeakPolarHBondContact OG1-CG 3.43Å; T792-E795 PolarHBondContact OG1-N 3.07Å; T792-E795 VanDerWaalsContact OG1-N 3.17Å; T792-E795 PolarHBondContact OG1-OE2 3.22Å; E795-M797 VanDerWaalsContact C-N 3.34Å; E795-M797 PolarHBondContact O-N 3.41Å; E795-S798 PolarHBondContact O-N 2.91Å; E795-S798 VanDerWaalsContact O-N 3.13Å; E795-H799 PolarHBondContact O-N 2.87Å
796	L	58.5	Low	49.4	Very low	110 Å²	110	128.7 Å²	128.7	58%	0.576	69%	0.688	S	S	*	*	H	α-helix	trans	-61	-43.4	176.9	-175.9	64.4	0	0	0	111.2	M791 T792 I793 G800	M791-L796 HydrophobicContact CG-CB 4.47Å; T792-L796 PolarHBondContact O-N 2.97Å; I793-L796 PolarHBondContact O-N 3.47Å; L796-G800 VanDerWaalsContact O-CA 3.29Å; L796-G800 WeakPolarHBondContact O-CA 3.45Å; L796-G800 PolarHBondContact O-N 3.13Å
797	M	53	Low	49	Very low	155 Å²	155	125.7 Å²	125.7	76%	0.764	68%	0.679	S	S	*	*	H	α-helix	trans	-68.9	-32.8	173.4	-70.4	178.6	70.1	0	0	112.8	I793 E795	I793-M797 HydrophobicContact CG2-SD 4.16Å; I793-M797 WeakPolarHBondContact O-CB 3.49Å; I793-M797 WeakPolarHBondContact O-CG 3.39Å; I793-M797 PolarHBondContact O-N 3.2Å; E795-M797 VanDerWaalsContact C-N 3.34Å; E795-M797 PolarHBondContact O-N 3.41Å
798	S	56.5	Low	48.8	Very low	81 Å²	81	124.9 Å²	124.9	57%	0.566	68%	0.681	S	S	*	*	H	α-helix	trans	-74.6	-26.6	-179.8	-60.3	0	0	0	0	113.9	Q794 E795	Q794-S798 VanDerWaalsContact O-CB 3.28Å; Q794-S798 WeakPolarHBondContact O-CB 3.36Å; Q794-S798 PolarHBondContact O-N 3.45Å; Q794-S798 PolarHBondContact O-OG 3.36Å; E795-S798 PolarHBondContact O-N 2.91Å; E795-S798 VanDerWaalsContact O-N 3.13Å
799	H	49.3	Very low	48.6	Very low	158 Å²	158	126.4 Å²	126.4	73%	0.731	69%	0.693	S	S	*	*	H	α-helix	trans	-119.4	-13.3	-174.9	-65.7	-45.7	0	0	0	115	E795 A801	E795-H799 PolarHBondContact O-N 2.87Å; H799-A801 VanDerWaalsContact C-N 3.32Å; H799-A801 PolarHBondContact O-N 3.46Å
800	G	48.7	Very low	48.3	Very low	59 Å²	59	127 Å²	127	61%	0.608	69%	0.691	S	S	*	*	S	Bend	trans	-73.6	-8.6	-171.8	0	0	0	0	0	116.8	L796	L796-G800 VanDerWaalsContact O-CA 3.29Å; L796-G800 WeakPolarHBondContact O-CA 3.45Å; L796-G800 PolarHBondContact O-N 3.13Å
801	A	46.9	Very low	48.1	Very low	83 Å²	83	122.6 Å²	122.6	69%	0.686	69%	0.685	S	S	*	*			trans	-142.2	84.9	-172.8	0	0	0	0	0	114.5	H799	H799-A801 VanDerWaalsContact C-N 3.32Å; H799-A801 PolarHBondContact O-N 3.46Å
802	R	45.7	Very low	47.7	Very low	252 Å²	252	123.6 Å²	123.6	95%	0.951	70%	0.704	S	S	*	*			trans	-137.1	75	152.4	-77.2	-162.6	174.1	-171.6	-2	110.8
803	V	41.5	Very low	46.9	Very low	114 Å²	114	129.9 Å²	129.9	69%	0.691	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-89.9	144.6	163.2	-176.6	0	0	0	0	107.6
804	P	41	Very low	46.6	Very low	112 Å²	112	131.6 Å²	131.6	73%	0.727	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-58.4	156.5	171.8	-23.5	34.8	0	0	0	112.4	G806	P804-G806 PolarHBondContact O-N 2.98Å
805	E	46.4	Very low	46.5	Very low	206 Å²	206	129.9 Å²	129.9	96%	0.963	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.5	131.1	-176.5	-59.3	178.5	126.8	0	0	112.1
806	G	47	Very low	45.6	Very low	86 Å²	86	132.2 Å²	132.2	89%	0.887	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	148.6	-20.2	167.6	0	0	0	0	0	118.3	P804	P804-G806 PolarHBondContact O-N 2.98Å
807	S	41.4	Very low	44.7	Very low	81 Å²	81	133.5 Å²	133.5	57%	0.566	77%	0.773	S	S	*	*			trans	-129.5	119.5	-172.7	63.3	0	0	0	0	114.7	V809	S807-V809 PolarHBondContact O-N 3.32Å
808	T	40.9	Very low	44.2	Very low	132 Å²	132	132.2 Å²	132.2	81%	0.81	77%	0.774	S	S	*	*			trans	-85.7	93.9	177.9	40.8	0	0	0	0	112.8	H810	T808-H810 PolarHBondContact O-ND1 2.73Å
809	V	41	Very low	43.2	Very low	121 Å²	121	138.7 Å²	138.7	73%	0.733	81%	0.81	S	S	*	*			trans	-82.1	126.2	170.7	-176.7	0	0	0	0	109.8	S807	S807-V809 PolarHBondContact O-N 3.32Å
810	H	41.2	Very low	42.9	Very low	167 Å²	167	137.8 Å²	137.8	77%	0.773	81%	0.814	S	S	*	*			trans	-83.6	114.2	177.5	-69.2	57.4	0	0	0	109.8	T808 A812	T808-H810 PolarHBondContact O-ND1 2.73Å; H810-A812 PolarHBondContact O-N 3.48Å
811	N	39.7	Very low	42.6	Very low	149 Å²	149	141.9 Å²	141.9	80%	0.797	82%	0.824	S	S	*	*			trans	-73.4	114.7	175.8	-85.1	-27.3	0	0	0	110.9	F813	N811-F813 PolarHBondContact O-N 3.17Å
812	A	45	Very low	42.4	Very low	91 Å²	91	145.2 Å²	145.2	75%	0.752	83%	0.832	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	37.9	-169.9	0	0	0	0	0	115.3	H810	H810-A812 PolarHBondContact O-N 3.48Å
813	F	45	Very low	42.2	Very low	202 Å²	202	138.9 Å²	138.9	89%	0.886	83%	0.825	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.5	27.4	-178.7	-75.9	-67.3	0	0	0	114.8	N811	N811-F813 PolarHBondContact O-N 3.17Å
814	L	46.8	Very low	42.3	Very low	170 Å²	170	140.4 Å²	140.4	89%	0.89	83%	0.834	S	S	*	*			trans	-127.8	80.5	166.7	-74.9	176.7	0	0	0	111.2
815	S	46.3	Very low	42.3	Very low	117 Å²	117	142.3 Å²	142.3	82%	0.818	84%	0.841	S	S	*	*			trans	-129.3	55.4	167.4	66.8	0	0	0	0	110.7
816	V	36.6	Very low	42.1	Very low	130 Å²	130	137.8 Å²	137.8	79%	0.788	83%	0.832	S	S	*	*			trans	-102.9	107.9	165.4	179.5	0	0	0	0	107.3
817	T	39.8	Very low	41.7	Very low	138 Å²	138	141.8 Å²	141.8	85%	0.847	83%	0.828	S	S	*	*			trans	-74.7	122.5	172	47.2	0	0	0	0	110.1
818	T	40.9	Very low	41.7	Very low	128 Å²	128	146.8 Å²	146.8	79%	0.785	85%	0.85	S	S	*	*			trans	-99.8	154.3	156.5	54.6	0	0	0	0	109.4
819	V	37.3	Very low	41.8	Very low	217 Å²	217	148.2 Å²	148.2	100%	1.315	85%	0.853	S	S	*	*			trans	-64.9	0	177.9	-176.1	0	0	0	0	111.2

Retrieved 819 of 819 residues in 985.5 ms (Link to these results)

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