A0A5K4F3N9_SCHMA Loading...

Anion exchange protein

AlphaFold DB (A0A5K4F0U2), UniProt , Accession A0A5K4F3N9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,094 aa.

						>A0A5K4F3N9_SCHMA|A0A5K4F3N9
MNKDLYVVEEEHSGGSDNREGYKLSFHTGSYPTQMFIELQELVPRVDGGLQFNESIFKMPVAAHFRVLWLETARWVNFEENFNEVEQRFTEAHVPPMKFSCINSFRDKLQQNLKIIQTDALTLGQALDEVAKYALSQNCIQGNEQYDVLRAILFAERWHPEVKGHISDAAEFDQYWAGTLPEGINPAYENDEGKWTFKNFQSKLKPAFLQRASVAAIGAKKHISMTRASASTNDFKPKEQCSVKRSCVSYNDLGYKLSLGSREQGSSSLTKALSIHNECQHPYHRYNQPLTNCLSSGSEACTVICGLIEFLKSPILVLLRLNKTIQRSCISEVDIPVRFIFIYIGPQNDELNYAELARIFAVMMTNDTFRLCVYDSLSVDDIIKGIDNFMQDSFVMPLSRHYNANALAGMTRQIEAYRKETVCERDGDRRPKGSFAVRKLTEQSQNNLVNGSYVPSSLNLKQQTDNIIKPDSDKLPIPSNEIDTPKISKRKIFLRDFCPPFIELSRGIRPWIKRMPGDYKDAIRKENFSIVFGSVLFIYFVNLSPSITFAALLNTQVDPSYTVTLTLLAVGVFLIIFTVLSGQPLAIIGISAPMYIVESSLVSVSRSTGVDFKQLRFWSAFYCSIFGFIFVGCNISGIAKHIRRSVEEVYNSFIGFFFLLKALFTMFLLIPAKPKDNTPMSRMAYYQKLAVAGVTLFLAFIMLQFCLILAQLKRGNYFRRNIRKLLGALNVPLGMLLITGLERIFFRGYNLPTVNIPPSNQVNASTWVNPPDFSRLQDYSKAAPTLIHGTSIAIGVALAIIIFTEAALNGLTAMKNKAVKPNIFVMDLVLLQIIFPIISGITGWPFMSGTTVRTLSNLVALVKMDQSPAPGMPHKIVGTVEQRVSGVFVGILVALSIFLGSILSNIPLAALYGMFLYMGVMGLRDLTFVLRICSLMKRRKHWEDWECVRGLPSRHILVFSLIQAAVVLILVSLNIISDFTVANYVGLIFPIVILIYGLIREFALPKWEWLALYLHQLDRKYKLHPSVMRKPPSTVRNLSTIRKESVGSFASGGLTVTSQLKTNNFIEYIHDQETASYSDISEHEDGVVRRTWAT
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	22.8	Very low	28	Very low	242 Å²	242	129.9 Å²	129.9	100%	1.192	64%	0.638	S	S	*	*				0	84.2	0	-77.9	176.2	171	0	0	108.9
2	N	22.5	Very low	28.3	Very low	165 Å²	165	130.6 Å²	130.6	88%	0.882	64%	0.638	S	S	*	*			trans	168.7	80.9	170.8	-106.4	4.3	0	0	0	100.7
3	K	26.9	Very low	28.4	Very low	184 Å²	184	128.9 Å²	128.9	80%	0.8	65%	0.648	S	S	*	*			trans	-123.2	120.5	175.9	-83.5	-169.4	173.6	-173.5	0	106.4
4	D	26.7	Very low	28.5	Very low	115 Å²	115	125.3 Å²	125.3	62%	0.615	66%	0.659	S	S	*	*			trans	-61.3	130.2	-178.4	-61.4	-49.9	0	0	0	109.4	Y6	D4-Y6 HydrophobicContact CB-CD2 4.26Å; D4-Y6 HydrophobicContact CB-CE2 3.56Å; D4-Y6 WeakPolarHBondContact O-CD2 3.38Å; D4-Y6 PolarHBondContact O-N 2.8Å
5	L	26.6	Very low	28.5	Very low	62 Å²	62	121.9 Å²	121.9	33%	0.325	67%	0.666	S	S	.	*			trans	-80.6	107	177.4	-152.9	97.6	0	0	0	107.4	F78 V94 L407	L5-F78 HydrophobicContact CD1-CE1 3.86Å; L5-F78 HydrophobicContact CD1-CZ 3.93Å; L5-V94 HydrophobicContact CD1-CG2 4.31Å; L5-V94 HydrophobicContact CD2-CG2 3.88Å; L5-V94 HydrophobicContact CG-CG2 4.13Å; L5-L407 HydrophobicContact CD2-CD2 4.48Å
6	Y	28	Very low	28.6	Very low	116 Å²	116	121.1 Å²	121.1	46%	0.455	67%	0.672	S	S	.	*	B	Isolated β-bridge	trans	-96.2	129.5	174.4	-65.6	-81.5	0	0	0	109.9	D4 E91 H93	D4-Y6 HydrophobicContact CB-CD2 4.26Å; D4-Y6 HydrophobicContact CB-CE2 3.56Å; D4-Y6 WeakPolarHBondContact O-CD2 3.38Å; D4-Y6 PolarHBondContact O-N 2.8Å; Y6-E91 WeakPolarHBondContact CE2-OE2 3.39Å; Y6-H93 WeakPolarHBondContact O-CB 3.04Å
7	V	30.4	Very low	28.7	Very low	63 Å²	63	123.8 Å²	123.8	38%	0.382	69%	0.685	S	S	.	*	P	Polyproline II helix	trans	-93.5	121.7	164.3	177	0	0	0	0	106.7	E9 L407	V7-E9 PolarHBondContact O-N 2.87Å; V7-L407 HydrophobicContact CG2-CD2 3.29Å
8	V	30.9	Very low	29	Very low	86 Å²	86	125 Å²	125	52%	0.521	69%	0.69	S	S	.	*	P	Polyproline II helix	trans	-78.9	117.4	173.2	-178.1	0	0	0	0	107.8	H93	V8-H93 HydrophobicContact CG2-CB 4.47Å
9	E	30.5	Very low	29.3	Very low	115 Å²	115	131.9 Å²	131.9	54%	0.537	71%	0.705	S	S	.	*			trans	-78.2	113.4	172	-110.6	172.7	174.6	0	0	108.9	V7	V7-E9 PolarHBondContact O-N 2.87Å
10	E	30.5	Very low	29.8	Very low	123 Å²	123	130.4 Å²	130.4	58%	0.575	69%	0.694	S	S	*	*			trans	-87.5	98	160.7	-83.5	-171.4	154.5	0	0	108.9	H12	E10-H12 PolarHBondContact O-N 3.22Å
11	E	32.5	Very low	30.2	Very low	158 Å²	158	125.7 Å²	125.7	74%	0.738	68%	0.676	S	S	*	*			trans	-76.2	95.1	169.7	-81.9	-167.5	148.4	0	0	110.4	S13	E11-S13 PolarHBondContact O-N 3.47Å
12	H	30.9	Very low	30.9	Very low	138 Å²	138	116 Å²	116	64%	0.639	63%	0.626	S	S	*	*			trans	-73.2	107.2	159.8	-77.1	-36.6	0	0	0	109.5	E10 K98	E10-H12 PolarHBondContact O-N 3.22Å; H12-K98 PolarHBondContact NE2-NZ 2.99Å
13	S	30.1	Very low	31.8	Very low	109 Å²	109	108.9 Å²	108.9	76%	0.762	59%	0.587	S	S	*	*			trans	-97	107.3	170.4	52.6	0	0	0	0	110.1	E11	E11-S13 PolarHBondContact O-N 3.47Å
14	G	29.9	Very low	32.5	Very low	78 Å²	78	100.6 Å²	100.6	80%	0.804	55%	0.552	S	S	*	*			trans	145.1	114	164.3	0	0	0	0	0	115.3
15	G	28	Very low	33.1	Very low	74 Å²	74	95.5 Å²	95.5	76%	0.763	53%	0.525	S	S	*	.			trans	88.5	110.5	148.5	0	0	0	0	0	117.9
16	S	30.9	Very low	33.7	Very low	110 Å²	110	95.3 Å²	95.3	77%	0.769	52%	0.522	S	S	*	.	S	Bend	trans	49.7	107.2	154.6	68.7	0	0	0	0	120.2	N18	S16-N18 PolarHBondContact O-N 3.2Å
17	D	29	Very low	34.4	Very low	166 Å²	166	92 Å²	92	89%	0.888	51%	0.511	S	S	*	.				55.6	30.3	126.2	-93.9	-1.6	0	0	0	121.4
18	N	35.8	Very low	34.7	Very low	146 Å²	146	92.4 Å²	92.4	78%	0.781	51%	0.513	S	S	*	.			trans	-122.2	107.8	163.4	-81	-26	0	0	0	112	S16 E20	S16-N18 PolarHBondContact O-N 3.2Å; N18-E20 PolarHBondContact O-N 3.37Å
19	R	33.9	Very low	34.9	Very low	257 Å²	257	90.5 Å²	90.5	97%	0.97	51%	0.511	S	S	*	.			trans	-74.6	82.5	175.1	-67	178.3	-177.3	175.7	1.4	110
20	E	40	Very low	35.1	Very low	101 Å²	101	90.9 Å²	90.9	47%	0.472	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-90.3	128.3	171.6	-65.5	-162.3	158.3	0	0	111.2	N18 L398	N18-E20 PolarHBondContact O-N 3.37Å; E20-L398 WeakPolarHBondContact O-CD1 3.19Å
21	G	37.2	Very low	35.7	Very low	31 Å²	31	95 Å²	95	32%	0.32	54%	0.538	S	S	.	.	P	Polyproline II helix	trans	-94.6	145	176.8	0	0	0	0	0	112.2
22	Y	38.6	Very low	36.6	Very low	40 Å²	40	92.9 Å²	92.9	16%	0.157	54%	0.539	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	150	173.9	-70.6	-97.1	0	0	0	111	P96 K98 M396 L398	Y22-P96 HydrophobicContact CD1-CB 4.04Å; Y22-P96 HydrophobicContact CE1-CB 4.49Å; Y22-K98 HydrophobicContact CD1-CG 4.29Å; Y22-K98 HydrophobicContact CE1-CG 3.82Å; Y22-M396 PolarHBondContact O-N 3.45Å; Y22-L398 HydrophobicContact CD2-CD1 3.54Å; Y22-L398 HydrophobicContact CD2-CD2 3.74Å; Y22-L398 HydrophobicContact CD2-CG 3.82Å; Y22-L398 HydrophobicContact CE2-CD1 3.5Å; Y22-L398 VanDerWaalsContact CE2-CD1 3.5Å; Y22-L398 HydrophobicContact CE2-CD2 4.08Å; Y22-L398 HydrophobicContact CE2-CG 4.21Å
23	K	41.2	Very low	38.2	Very low	14 Å²	14	89.2 Å²	89.2	6%	0.061	53%	0.526	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135.7	178.2	-144.5	172.6	-164.7	-169	0	111.7	M97 M390 S393 F394 V395	K23-M97 PolarHBondContact N-O 3.45Å; K23-M390 HydrophobicContact CD-CE 4.18Å; K23-M390 HydrophobicContact CD-SD 3.89Å; K23-M390 VanDerWaalsContact NZ-C 3.29Å; K23-M390 PolarHBondContact NZ-O 3.47Å; K23-M390 PolarHBondContact NZ-SD 3.01Å; K23-S393 WeakPolarHBondContact CD-OG 3.12Å; K23-S393 WeakPolarHBondContact CE-O 3.11Å; K23-S393 WeakPolarHBondContact CE-OG 3.12Å; K23-S393 PolarHBondContact NZ-OG 3.1Å; K23-F394 WeakPolarHBondContact CA-O 3.39Å; K23-F394 VanDerWaalsContact CG-O 3.24Å; K23-F394 WeakPolarHBondContact CG-O 3.33Å; K23-V395 HydrophobicContact CD-CG2 4.18Å; K23-V395 HydrophobicContact CG-CG2 4.02Å
24	L	40.7	Very low	40.3	Very low	10 Å²	10	87.5 Å²	87.5	5%	0.052	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	127.5	174.1	-62.2	172.7	0	0	0	109	F26 V94 F394 M396	L24-F26 HydrophobicContact CB-CE2 3.83Å; L24-F26 HydrophobicContact CB-CZ 4.17Å; L24-F26 HydrophobicContact CD1-CE2 4.28Å; L24-F26 HydrophobicContact CD1-CZ 4.07Å; L24-V94 HydrophobicContact CB-CG1 4.3Å; L24-V94 HydrophobicContact CD2-CB 4.2Å; L24-V94 HydrophobicContact CD2-CG1 3.58Å; L24-V94 HydrophobicContact CG-CG1 4.47Å; L24-F394 PolarHBondContact N-O 3.06Å; L24-F394 PolarHBondContact O-N 3.02Å; L24-M396 HydrophobicContact CD1-CE 4.07Å; L24-M396 HydrophobicContact CD1-CG 3.67Å; L24-M396 HydrophobicContact CD1-SD 4.21Å; L24-M396 HydrophobicContact CG-CG 4.25Å
25	S	39.5	Very low	42.9	Very low	9 Å²	9	84.1 Å²	84.1	6%	0.063	47%	0.469	C	S	.	.			trans	-96.2	123.8	169.8	50.2	0	0	0	0	110
26	F	39.7	Very low	45.9	Very low	58 Å²	58	80.7 Å²	80.7	25%	0.254	43%	0.433	S	S	.	.			trans	-107.6	139.4	173.5	-67.4	-77.7	0	0	0	110.4	L24 V94 T411	L24-F26 HydrophobicContact CB-CE2 3.83Å; L24-F26 HydrophobicContact CB-CZ 4.17Å; L24-F26 HydrophobicContact CD1-CE2 4.28Å; L24-F26 HydrophobicContact CD1-CZ 4.07Å; F26-V94 HydrophobicContact CE1-CG2 4.48Å; F26-T411 HydrophobicContact CD1-CG2 3.93Å; F26-T411 HydrophobicContact CD2-CG2 4.44Å; F26-T411 HydrophobicContact CE1-CG2 3.25Å; F26-T411 HydrophobicContact CE2-CG2 3.83Å; F26-T411 HydrophobicContact CG-CG2 4.49Å; F26-T411 HydrophobicContact CZ-CG2 3.19Å
27	H	42.8	Very low	48.8	Very low	47 Å²	47	75.5 Å²	75.5	22%	0.218	40%	0.397	C	S	.	.			trans	-83.5	115.1	176.8	-71.9	-98.6	0	0	0	110.9	N77 T365	H27-N77 PolarHBondContact CD2-O 3.34Å; H27-N77 PolarHBondContact NE2-O 3.46Å; H27-T365 WeakPolarHBondContact CE1-CB 3.18Å; H27-T365 PolarHBondContact CE1-O 3.2Å; H27-T365 PolarHBondContact CE1-OG1 3.03Å; H27-T365 PolarHBondContact ND1-O 3.12Å; H27-T365 VanDerWaalsContact NE2-CB 3.32Å; H27-T365 WeakPolarHBondContact NE2-CB 3.13Å; H27-T365 PolarHBondContact NE2-OG1 3.34Å; H27-T365 VanDerWaalsContact NE2-OG1 3.12Å
28	T	36	Very low	51.8	Low	70 Å²	70	67.6 Å²	67.6	43%	0.429	35%	0.354	S	S	.	.			trans	-143.8	89.7	169.7	59.2	0	0	0	0	110.1	R418	T28-R418 PolarHBondContact OG1-NH1 3.05Å; T28-R418 VanDerWaalsContact OG1-NH1 3.09Å
29	G	35.2	Very low	54.6	Low	47 Å²	47	60.9 Å²	60.9	49%	0.485	32%	0.318	S	S	.	.			trans	-157.2	129.4	177.9	0	0	0	0	0	112.5	Y31 D367	G29-Y31 PolarHBondContact O-N 3.11Å; G29-D367 WeakPolarHBondContact CA-OD2 3.46Å
30	S	35.8	Very low	57.3	Low	123 Å²	123	48.7 Å²	48.7	86%	0.86	27%	0.272	S	S	*	.			trans	-93.9	75.6	-178.7	-175.4	0	0	0	0	110.2
31	Y	42.3	Very low	59.6	Low	208 Å²	208	45.9 Å²	45.9	82%	0.816	26%	0.26	S	S	*	.			trans	-140.7	154.4	171.7	-79.6	-79	0	0	0	111	G29 T33	G29-Y31 PolarHBondContact O-N 3.11Å; Y31-T33 PolarHBondContact O-N 3.34Å
32	P	51.9	Low	62	Low	115 Å²	115	44.8 Å²	44.8	75%	0.747	25%	0.246	S	C	*	.	S	Bend	trans	-89.9	8	-138.7	33.3	-35.2	0	0	0	117.5
33	T	63.4	Low	63.8	Low	60 Å²	60	43.5 Å²	43.5	37%	0.368	24%	0.242	S	C	.	.			trans	-138.2	125.1	-174.9	56.7	0	0	0	0	113.7	Y31 G297	Y31-T33 PolarHBondContact O-N 3.34Å; T33-G297 WeakPolarHBondContact CB-O 3.19Å; T33-G297 WeakPolarHBondContact CG2-O 3.5Å
34	Q	73.6	Confident	65	Low	73 Å²	73	44.4 Å²	44.4	34%	0.341	25%	0.25	S	C	.	.			trans	-74	140.9	171.3	-64.6	172.8	-20.7	0	0	109.9	S298 E299	Q34-S298 WeakPolarHBondContact O-CA 2.9Å; Q34-S298 WeakPolarHBondContact O-CB 3.28Å; Q34-S298 PolarHBondContact O-OG 2.84Å; Q34-E299 PolarHBondContact O-N 3.44Å
35	M	85.7	Confident	66.1	Low	7 Å²	7	46.6 Å²	46.6	3%	0.034	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	133.2	173.6	-176.9	168.6	-82.9	0	0	110.5	I37 E299 C301 F339 M364 R370 Y374	M35-I37 HydrophobicContact CG-CG1 4Å; M35-I37 HydrophobicContact SD-CG1 4.41Å; M35-E299 CarbonylContact C-O 3.59Å; M35-E299 VanDerWaalsContact CA-O 3.3Å; M35-E299 WeakPolarHBondContact CA-O 3.32Å; M35-E299 HydrophobicContact CE-CB 4.43Å; M35-E299 WeakPolarHBondContact CG-O 3.47Å; M35-C301 HydrophobicContact CG-CB 4.36Å; M35-C301 HydrophobicContact SD-CB 3.81Å; M35-F339 HydrophobicContact CE-CD2 3.89Å; M35-F339 HydrophobicContact CE-CE2 3.88Å; M35-M364 HydrophobicContact CE-CE 4.31Å; M35-M364 HydrophobicContact SD-CE 3.63Å; M35-R370 HydrophobicContact CE-CG 4.3Å; M35-R370 WeakPolarHBondContact SD-CD 3.45Å; M35-R370 HydrophobicContact SD-CG 4.35Å; M35-Y374 HydrophobicContact CE-CE2 4.31Å; M35-Y374 VanDerWaalsContact CE-OH 3.31Å; M35-Y374 WeakPolarHBondContact CE-OH 3.37Å
36	F	90.6	Very high	66.8	Low	2 Å²	2	49.9 Å²	49.9	1%	0.009	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	126.9	169.7	-177.7	-102.6	0	0	0	109.1	E38 R74 V76 L290 L294 E299 A300 C301 V333	F36-E38 HydrophobicContact CE1-CB 3.95Å; F36-E38 HydrophobicContact CE1-CG 4.4Å; F36-R74 HydrophobicContact CE2-CB 4.37Å; F36-R74 HydrophobicContact CZ-CB 4.21Å; F36-V76 HydrophobicContact CD2-CG2 3.94Å; F36-V76 HydrophobicContact CE2-CG2 4.47Å; F36-L290 HydrophobicContact CE2-CD2 3.88Å; F36-L290 HydrophobicContact CE2-CG 4.46Å; F36-L290 HydrophobicContact CZ-CD2 4.03Å; F36-L294 HydrophobicContact CB-CD1 4.21Å; F36-L294 HydrophobicContact CD2-CD1 4.09Å; F36-L294 HydrophobicContact CG-CD1 4.31Å; F36-E299 PolarHBondContact N-O 3.46Å; F36-A300 CarbonylContact O-C 3.56Å; F36-A300 VanDerWaalsContact O-CA 3.22Å; F36-A300 WeakPolarHBondContact O-CA 3.4Å; F36-C301 PolarHBondContact O-N 3.02Å; F36-V333 HydrophobicContact CD1-CB 4.27Å; F36-V333 HydrophobicContact CD1-CG2 3.85Å; F36-V333 HydrophobicContact CD2-CG2 4.19Å; F36-V333 HydrophobicContact CE1-CB 4.26Å; F36-V333 HydrophobicContact CE1-CG2 3.48Å; F36-V333 VanDerWaalsContact CE1-CG2 3.48Å; F36-V333 HydrophobicContact CE2-CG2 3.87Å; F36-V333 HydrophobicContact CG-CG2 4.19Å; F36-V333 HydrophobicContact CZ-CG2 3.5Å
37	I	92.5	Very high	66.8	Low	1 Å²	1	51.3 Å²	51.3	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	129.2	-178.2	-49.8	170.1	0	0	0	108.1	M35 R74 W75 C301 V303 A361 M364 T365	M35-I37 HydrophobicContact CG-CG1 4Å; M35-I37 HydrophobicContact SD-CG1 4.41Å; I37-R74 CarbonylContact O-C 3.57Å; I37-R74 VanDerWaalsContact O-CA 3.28Å; I37-R74 WeakPolarHBondContact O-CA 3.42Å; I37-W75 HydrophobicContact CB-CB 4.19Å; I37-W75 HydrophobicContact CB-CE3 4.25Å; I37-W75 HydrophobicContact CD1-CB 4.49Å; I37-W75 HydrophobicContact CG2-CE3 4.09Å; I37-W75 PolarHBondContact N-O 3.3Å; I37-W75 PolarHBondContact O-N 3.3Å; I37-C301 VanDerWaalsContact CA-O 3.32Å; I37-C301 WeakPolarHBondContact CA-O 3.32Å; I37-C301 HydrophobicContact CG1-CB 4.23Å; I37-C301 HydrophobicContact CG2-CB 4.41Å; I37-V303 HydrophobicContact CG2-CG2 4.14Å; I37-A361 WeakPolarHBondContact CD1-O 3.35Å; I37-A361 HydrophobicContact CG2-CB 3.86Å; I37-M364 HydrophobicContact CD1-CB 3.6Å; I37-T365 HydrophobicContact CD1-CG2 3.74Å
38	E	92.3	Very high	66.6	Low	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	134	-178.5	-162.7	-173.3	137.5	0	0	110.1	F36 Q40 E71 H159 C301 V303 S331 E332	F36-E38 HydrophobicContact CE1-CB 3.95Å; F36-E38 HydrophobicContact CE1-CG 4.4Å; E38-Q40 PolarHBondContact OE1-NE2 3.18Å; E38-E71 HydrophobicContact CG-CG 3.7Å; E38-E71 WeakPolarHBondContact OE1-CG 3.36Å; E38-H159 IonicContact OE1-CE1 3.36Å; E38-H159 PolarHBondContact OE1-CE1 3.36Å; E38-H159 IonicContact OE1-ND1 3.74Å; E38-H159 PolarHBondContact OE1-ND1 3.06Å; E38-H159 VanDerWaalsContact OE1-ND1 3.15Å; E38-H159 IonicContact OE2-CE1 3.56Å; E38-C301 PolarHBondContact N-O 3.36Å; E38-C301 VanDerWaalsContact N-O 3.08Å; E38-V303 PolarHBondContact O-N 3.32Å; E38-S331 WeakPolarHBondContact OE2-CA 3.45Å; E38-E332 PolarHBondContact OE2-N 3.26Å
39	L	93.2	Very high	66.8	Low	5 Å²	5	50.5 Å²	50.5	3%	0.026	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	121.1	174.6	177.5	65.8	0	0	0	110.1	T72 A73 W75 V303 A357 R358	L39-T72 PolarHBondContact O-N 3.27Å; L39-T72 PolarHBondContact O-OG1 2.68Å; L39-A73 HydrophobicContact CB-CB 4.33Å; L39-A73 HydrophobicContact CD2-CB 4.35Å; L39-A73 PolarHBondContact N-O 2.87Å; L39-W75 HydrophobicContact CB-CH2 4.04Å; L39-W75 HydrophobicContact CB-CZ3 3.71Å; L39-W75 HydrophobicContact CD2-CH2 4.15Å; L39-V303 CarbonylContact C-O 3.6Å; L39-V303 WeakPolarHBondContact CA-O 3.28Å; L39-V303 HydrophobicContact CD1-CB 3.94Å; L39-V303 HydrophobicContact CD1-CG1 3.64Å; L39-A357 HydrophobicContact CD1-CB 3.62Å; L39-R358 HydrophobicContact CD2-CB 4.14Å; L39-R358 HydrophobicContact CD2-CG 4.48Å
40	Q	91.6	Very high	67.2	Low	1 Å²	1	50.2 Å²	50.2	1%	0.005	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	132.3	177.5	-66.9	176.3	-6.8	0	0	111.1	E38 W69 L70 H159 V303 I304 C305 I330	E38-Q40 PolarHBondContact OE1-NE2 3.18Å; Q40-W69 HydrophobicContact CB-CB 4.42Å; Q40-L70 CarbonylContact C-O 3.58Å; Q40-L70 VanDerWaalsContact CA-O 3.26Å; Q40-L70 WeakPolarHBondContact CA-O 3.33Å; Q40-H159 PolarHBondContact NE2-CE1 3.31Å; Q40-V303 PolarHBondContact N-O 3.11Å; Q40-I304 HydrophobicContact CB-CG1 4.47Å; Q40-I304 WeakPolarHBondContact O-CA 3.29Å; Q40-C305 PolarHBondContact O-N 3.19Å; Q40-I330 PolarHBondContact NE2-O 2.96Å
41	E	88.5	Confident	67.5	Low	43 Å²	43	51.1 Å²	51.1	20%	0.201	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	140.4	175.9	-162.2	-169.2	131.3	0	0	111.4	V43 L70 T72 R211 C305	E41-V43 PolarHBondContact O-N 3.08Å; E41-L70 PolarHBondContact N-O 2.92Å; E41-L70 PolarHBondContact O-N 3.27Å; E41-T72 HydrophobicContact CB-CG2 3.72Å; E41-R211 IonicContact OE1-CZ 3.32Å; E41-R211 VanDerWaalsContact OE1-CZ 3.32Å; E41-R211 IonicContact OE1-NH1 2.76Å; E41-R211 PolarHBondContact OE1-NH1 3.38Å; E41-R211 IonicContact OE1-NH2 3.19Å; E41-R211 PolarHBondContact OE1-NH2 3.24Å; E41-R211 IonicContact OE2-NH1 3.82Å; E41-C305 CarbonylContact C-O 3.51Å; E41-C305 VanDerWaalsContact CA-O 3.25Å; E41-C305 WeakPolarHBondContact CA-O 3.38Å
42	L	86.3	Confident	67.7	Low	7 Å²	7	43.3 Å²	43.3	4%	0.037	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	120.7	172.8	-168.7	65.5	0	0	0	110.7	V67 W69 I152 C305 I308	L42-V67 HydrophobicContact CD1-CB 3.83Å; L42-V67 HydrophobicContact CD1-CG2 3.96Å; L42-V67 HydrophobicContact CG-CB 4.48Å; L42-W69 HydrophobicContact CB-CE3 3.95Å; L42-W69 HydrophobicContact CB-CH2 3.86Å; L42-W69 HydrophobicContact CB-CZ3 3.5Å; L42-W69 HydrophobicContact CD1-CD2 3.97Å; L42-W69 HydrophobicContact CD1-CE3 4.13Å; L42-W69 HydrophobicContact CD1-CH2 3.97Å; L42-W69 HydrophobicContact CD1-CZ2 3.8Å; L42-W69 HydrophobicContact CD1-CZ3 4.12Å; L42-W69 HydrophobicContact CD2-CH2 4.45Å; L42-W69 HydrophobicContact CG-CH2 4.31Å; L42-W69 HydrophobicContact CG-CZ3 4.34Å; L42-I152 HydrophobicContact CD1-CG2 3.99Å; L42-I152 HydrophobicContact CD2-CG2 3.93Å; L42-C305 PolarHBondContact N-O 3.16Å; L42-I308 HydrophobicContact CD2-CD1 4.26Å; L42-I308 HydrophobicContact CD2-CG1 3.82Å
43	V	76	Confident	67.4	Low	13 Å²	13	43.1 Å²	43.1	8%	0.079	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	134.9	-179.6	-174.9	0	0	0	0	110.4	E41 V67 L68 L70	E41-V43 PolarHBondContact O-N 3.08Å; V43-V67 WeakPolarHBondContact O-CA 3.38Å; V43-L68 HydrophobicContact CB-CD1 4.03Å; V43-L68 HydrophobicContact CB-CG 4.35Å; V43-L68 PolarHBondContact N-O 3.27Å; V43-L68 PolarHBondContact O-N 3.15Å; V43-L70 HydrophobicContact CG2-CB 3.73Å; V43-L70 HydrophobicContact CG2-CD2 3.96Å; V43-L70 HydrophobicContact CG2-CG 4.48Å
44	P	68.2	Low	66.6	Low	34 Å²	34	49.1 Å²	49.1	22%	0.221	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	143.3	172.8	29.7	-33.6	0	0	0	111.9	L50	P44-L50 HydrophobicContact CB-CD1 4.26Å; P44-L50 HydrophobicContact CB-CG 4.27Å
45	R	63	Low	65.5	Low	55 Å²	55	49.5 Å²	49.5	21%	0.208	28%	0.281	C	S	.	.	S	Bend	trans	-83.1	-10.3	176.8	-77.6	176.6	175.2	-164	-1.3	114.6	F65 R66 L68 E156	R45-F65 WeakPolarHBondContact CD-O 3.29Å; R45-R66 WeakPolarHBondContact CB-O 3.46Å; R45-R66 PolarHBondContact N-O 3.45Å; R45-L68 HydrophobicContact CG-CD2 3.84Å; R45-L68 HydrophobicContact CG-CG 4.43Å; R45-E156 IonicContact CZ-OE2 3.69Å; R45-E156 IonicContact NH1-OE2 3.85Å; R45-E156 IonicContact NH2-OE2 3.15Å; R45-E156 PolarHBondContact NH2-OE2 3.32Å
46	V	54.5	Low	63.7	Low	78 Å²	78	51.5 Å²	51.5	47%	0.473	29%	0.291	S	S	.	.	S	Bend	trans	-121.8	141.4	-171.4	-170.7	0	0	0	0	110.4
47	D	39	Very low	61.9	Low	88 Å²	88	52.8 Å²	52.8	47%	0.471	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	133.9	175.1	-71	-41.7	0	0	0	111.1
48	G	39.2	Very low	60	Low	50 Å²	50	60.2 Å²	60.2	52%	0.515	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	126.3	-3.8	178.5	0	0	0	0	0	115.5	Q51	G48-Q51 WeakPolarHBondContact O-CG 3.42Å
49	G	39.3	Very low	58.5	Low	50 Å²	50	65.2 Å²	65.2	52%	0.515	35%	0.354	S	S	.	.			trans	68.1	172.6	-166	0	0	0	0	0	110.3	Q51	G49-Q51 PolarHBondContact O-N 3.39Å
50	L	45.2	Very low	56.9	Low	42 Å²	42	66.2 Å²	66.2	22%	0.22	36%	0.361	C	S	.	.			trans	-69.4	78.7	161	-80	127.4	0	0	0	106.8	P44 F52 F57 V67	P44-L50 HydrophobicContact CB-CD1 4.26Å; P44-L50 HydrophobicContact CB-CG 4.27Å; L50-F52 HydrophobicContact CB-CD2 3.9Å; L50-F52 HydrophobicContact CB-CE2 3.53Å; L50-F52 HydrophobicContact CD2-CE2 3.84Å; L50-F52 HydrophobicContact CD2-CZ 4.1Å; L50-F52 HydrophobicContact CG-CE2 4.24Å; L50-F52 VanDerWaalsContact O-CD2 3.28Å; L50-F52 WeakPolarHBondContact O-CD2 3.25Å; L50-F52 PolarHBondContact O-N 3.01Å; L50-F57 HydrophobicContact CD2-CE2 4.37Å; L50-F57 HydrophobicContact CD2-CZ 3.66Å; L50-V67 HydrophobicContact CD2-CG1 4.41Å
51	Q	41.7	Very low	55.4	Low	141 Å²	141	68.1 Å²	68.1	66%	0.659	37%	0.372	S	S	*	.			trans	-75.2	105.1	163.7	-83.7	-176.8	4.8	0	0	106.9	G48 G49 N53	G48-Q51 WeakPolarHBondContact O-CG 3.42Å; G49-Q51 PolarHBondContact O-N 3.39Å; Q51-N53 VanDerWaalsContact C-N 3.29Å; Q51-N53 PolarHBondContact O-N 3.05Å
52	F	46.7	Very low	54.2	Low	44 Å²	44	67.7 Å²	67.7	19%	0.193	38%	0.376	C	S	.	.			trans	-71.4	83.7	-178.6	-78.7	-122.1	0	0	0	110.8	L50 F57 I308 E309 F310	L50-F52 HydrophobicContact CB-CD2 3.9Å; L50-F52 HydrophobicContact CB-CE2 3.53Å; L50-F52 HydrophobicContact CD2-CE2 3.84Å; L50-F52 HydrophobicContact CD2-CZ 4.1Å; L50-F52 HydrophobicContact CG-CE2 4.24Å; L50-F52 VanDerWaalsContact O-CD2 3.28Å; L50-F52 WeakPolarHBondContact O-CD2 3.25Å; L50-F52 PolarHBondContact O-N 3.01Å; F52-F57 AromaticContact CD1-CD2 3.91Å; F52-F57 HydrophobicContact CD1-CD2 3.91Å; F52-F57 AromaticContact CD1-CE2 3.42Å; F52-F57 HydrophobicContact CD1-CE2 3.42Å; F52-F57 VanDerWaalsContact CD1-CE2 3.42Å; F52-F57 HydrophobicContact CD1-CZ 4.44Å; F52-F57 HydrophobicContact CD2-CE2 4.4Å; F52-F57 AromaticContact CE1-CD2 3.88Å; F52-F57 HydrophobicContact CE1-CD2 3.88Å; F52-F57 AromaticContact CE1-CE2 3.16Å; F52-F57 HydrophobicContact CE1-CE2 3.16Å; F52-F57 AromaticContact CE1-CZ 3.82Å; F52-F57 HydrophobicContact CE1-CZ 3.82Å; F52-F57 HydrophobicContact CE2-CE2 4.26Å; F52-F57 HydrophobicContact CG-CE2 4.04Å; F52-F57 AromaticContact CZ-CE2 3.6Å; F52-F57 HydrophobicContact CZ-CE2 3.6Å; F52-F57 AromaticContact CZ-CZ 3.84Å; F52-F57 HydrophobicContact CZ-CZ 3.84Å; F52-I308 HydrophobicContact CZ-CG2 4.24Å; F52-E309 HydrophobicContact CB-CB 4.3Å; F52-E309 WeakPolarHBondContact CB-OE2 3.42Å; F52-E309 HydrophobicContact CD1-CB 3.65Å; F52-E309 HydrophobicContact CD2-CB 3.37Å; F52-E309 HydrophobicContact CD2-CG 3.29Å; F52-E309 WeakPolarHBondContact CD2-OE2 3.49Å; F52-E309 HydrophobicContact CE1-CB 3.68Å; F52-E309 HydrophobicContact CE1-CG 4.48Å; F52-E309 HydrophobicContact CE2-CB 3.36Å; F52-E309 VanDerWaalsContact CE2-CD 3.47Å; F52-E309 HydrophobicContact CE2-CG 3.24Å; F52-E309 VanDerWaalsContact CE2-N 3.32Å; F52-E309 HydrophobicContact CG-CB 3.52Å; F52-E309 HydrophobicContact CG-CG 3.97Å; F52-E309 WeakPolarHBondContact CG-OE2 3.39Å; F52-E309 HydrophobicContact CZ-CB 3.59Å; F52-E309 HydrophobicContact CZ-CG 3.95Å; F52-F310 HydrophobicContact CD1-CB 4.16Å; F52-F310 HydrophobicContact CE1-CB 3.81Å; F52-F310 AromaticContact CE1-CD1 3.63Å; F52-F310 HydrophobicContact CE1-CD1 3.63Å; F52-F310 HydrophobicContact CE1-CG 4.12Å; F52-F310 HydrophobicContact CZ-CD1 4.41Å
53	N	44.1	Very low	53.1	Low	111 Å²	111	67.4 Å²	67.4	59%	0.594	38%	0.375	S	S	*	.			trans	-79.1	131.1	152.9	-76.4	-19.2	0	0	0	108	Q51 S55 I56	Q51-N53 VanDerWaalsContact C-N 3.29Å; Q51-N53 PolarHBondContact O-N 3.05Å; N53-S55 PolarHBondContact O-N 2.91Å; N53-I56 PolarHBondContact O-N 2.86Å
54	E	48	Very low	52.6	Low	187 Å²	187	68.1 Å²	68.1	87%	0.874	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	-13.9	-179.7	-73.8	-172.2	149.7	0	0	114.6
55	S	49.1	Very low	52.3	Low	81 Å²	81	70.4 Å²	70.4	57%	0.566	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-28.2	176.8	56.2	0	0	0	0	114.4	N53 F57 K58	N53-S55 PolarHBondContact O-N 2.91Å; S55-F57 VanDerWaalsContact C-N 3.35Å; S55-F57 PolarHBondContact O-N 2.82Å; S55-K58 PolarHBondContact O-N 3.19Å
56	I	49	Very low	52.4	Low	49 Å²	49	73 Å²	73	25%	0.251	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-26.6	-166	-65	176.4	0	0	0	112.8	N53	N53-I56 PolarHBondContact O-N 2.86Å
57	F	52.2	Low	53.1	Low	29 Å²	29	69.3 Å²	69.3	13%	0.127	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	8.9	-177.7	-67.3	-67.6	0	0	0	114.4	L50 F52 S55 M59 A63 V148 I152 F310	L50-F57 HydrophobicContact CD2-CE2 4.37Å; L50-F57 HydrophobicContact CD2-CZ 3.66Å; F52-F57 AromaticContact CD1-CD2 3.91Å; F52-F57 HydrophobicContact CD1-CD2 3.91Å; F52-F57 AromaticContact CD1-CE2 3.42Å; F52-F57 HydrophobicContact CD1-CE2 3.42Å; F52-F57 VanDerWaalsContact CD1-CE2 3.42Å; F52-F57 HydrophobicContact CD1-CZ 4.44Å; F52-F57 HydrophobicContact CD2-CE2 4.4Å; F52-F57 AromaticContact CE1-CD2 3.88Å; F52-F57 HydrophobicContact CE1-CD2 3.88Å; F52-F57 AromaticContact CE1-CE2 3.16Å; F52-F57 HydrophobicContact CE1-CE2 3.16Å; F52-F57 AromaticContact CE1-CZ 3.82Å; F52-F57 HydrophobicContact CE1-CZ 3.82Å; F52-F57 HydrophobicContact CE2-CE2 4.26Å; F52-F57 HydrophobicContact CG-CE2 4.04Å; F52-F57 AromaticContact CZ-CE2 3.6Å; F52-F57 HydrophobicContact CZ-CE2 3.6Å; F52-F57 AromaticContact CZ-CZ 3.84Å; F52-F57 HydrophobicContact CZ-CZ 3.84Å; S55-F57 VanDerWaalsContact C-N 3.35Å; S55-F57 PolarHBondContact O-N 2.82Å; F57-M59 PolarHBondContact O-N 2.98Å; F57-A63 HydrophobicContact CD1-CB 3.83Å; F57-A63 HydrophobicContact CE1-CB 4.01Å; F57-V148 HydrophobicContact CB-CG1 4.11Å; F57-V148 HydrophobicContact CB-CG2 4.18Å; F57-V148 HydrophobicContact CD1-CG1 3.26Å; F57-V148 HydrophobicContact CE1-CG1 3.92Å; F57-V148 HydrophobicContact CG-CG1 3.97Å; F57-V148 WeakPolarHBondContact O-CG2 3.47Å; F57-I152 HydrophobicContact CE1-CD1 3.97Å; F57-F310 HydrophobicContact CD1-CD1 4.39Å; F57-F310 HydrophobicContact CD1-CE1 4.23Å; F57-F310 HydrophobicContact CD2-CD1 4.03Å; F57-F310 HydrophobicContact CE1-CD1 4.44Å; F57-F310 HydrophobicContact CE1-CE1 4.19Å; F57-F310 HydrophobicContact CE2-CD1 4.14Å; F57-F310 HydrophobicContact CG-CD1 4.15Å; F57-F310 HydrophobicContact CG-CE1 4.43Å; F57-F310 HydrophobicContact CZ-CD1 4.3Å; F57-F310 HydrophobicContact CZ-CE1 4.39Å
58	K	53.5	Low	55	Low	156 Å²	156	66.2 Å²	66.2	68%	0.678	35%	0.354	S	S	*	.	S	Bend	trans	-68	-13.5	176.8	-71.8	-172.1	177	-177.9	0	114.3	S55	S55-K58 PolarHBondContact O-N 3.19Å
59	M	60.2	Low	57.1	Low	106 Å²	106	63.9 Å²	63.9	52%	0.522	33%	0.33	S	S	.	.			trans	-131.1	114.9	177.4	-75.2	175.3	67.6	0	0	110.4	F57 V61 A62 A63	F57-M59 PolarHBondContact O-N 2.98Å; M59-V61 PolarHBondContact O-N 3.29Å; M59-A62 HydrophobicContact CB-CB 4.17Å; M59-A62 WeakPolarHBondContact O-CB 3.49Å; M59-A62 PolarHBondContact O-N 2.81Å; M59-A63 PolarHBondContact O-N 3.4Å
60	P	59.5	Low	59.3	Low	26 Å²	26	61.7 Å²	61.7	17%	0.169	31%	0.307	C	S	.	.	H	α-helix	trans	-64.6	-26.7	-176.2	-7.7	16.1	0	0	0	113	A62 A63 H64 D147 V148 A151 L269	P60-A62 PolarHBondContact O-N 3.49Å; P60-A63 PolarHBondContact O-N 2.9Å; P60-H64 PolarHBondContact O-N 3.34Å; P60-H64 VanDerWaalsContact O-N 3.12Å; P60-D147 HydrophobicContact CB-CB 4.02Å; P60-D147 HydrophobicContact CG-CB 3.57Å; P60-V148 HydrophobicContact CB-CG2 4.26Å; P60-V148 HydrophobicContact CG-CG2 4.4Å; P60-A151 HydrophobicContact CB-CB 4.02Å; P60-A151 WeakPolarHBondContact O-CB 3.35Å; P60-L269 HydrophobicContact CB-CD1 3.54Å; P60-L269 HydrophobicContact CB-CD2 4.07Å; P60-L269 HydrophobicContact CB-CG 4.46Å; P60-L269 HydrophobicContact CG-CD1 3.95Å; P60-L269 HydrophobicContact CG-CD2 4.33Å
61	V	61.1	Low	61.2	Low	40 Å²	40	59.7 Å²	59.7	24%	0.242	30%	0.296	C	S	.	.	H	α-helix	trans	-60.1	-44.2	171.2	-175.9	0	0	0	0	111.3	M59 A63 H64 F65 L269	M59-V61 PolarHBondContact O-N 3.29Å; V61-A63 VanDerWaalsContact C-N 3.33Å; V61-A63 PolarHBondContact O-N 2.8Å; V61-H64 PolarHBondContact O-N 2.85Å; V61-F65 HydrophobicContact CG1-CD2 3.86Å; V61-F65 HydrophobicContact CG1-CE2 3.58Å; V61-F65 WeakPolarHBondContact O-CD2 3.03Å; V61-F65 PolarHBondContact O-N 3.2Å; V61-L269 HydrophobicContact CG2-CD1 3.54Å
62	A	62.8	Low	63.4	Low	34 Å²	34	54.4 Å²	54.4	28%	0.281	27%	0.274	S	S	.	.	H	α-helix	trans	-67.3	-36.9	-179.5	0	0	0	0	0	111.7	M59 P60 F65 R66	M59-A62 HydrophobicContact CB-CB 4.17Å; M59-A62 WeakPolarHBondContact O-CB 3.49Å; M59-A62 PolarHBondContact O-N 2.81Å; P60-A62 PolarHBondContact O-N 3.49Å; A62-F65 PolarHBondContact O-N 2.98Å; A62-R66 WeakPolarHBondContact O-CB 3.48Å; A62-R66 VanDerWaalsContact O-CG 3.31Å; A62-R66 WeakPolarHBondContact O-CG 3.45Å; A62-R66 PolarHBondContact O-N 3.35Å
63	A	63	Low	65.5	Low	1 Å²	1	52.4 Å²	52.4	1%	0.008	27%	0.265	C	S	.	.	H	α-helix	trans	-61.6	-46.4	175.4	0	0	0	0	0	111.8	F57 M59 P60 V61 F65 R66 V148 I152	F57-A63 HydrophobicContact CD1-CB 3.83Å; F57-A63 HydrophobicContact CE1-CB 4.01Å; M59-A63 PolarHBondContact O-N 3.4Å; P60-A63 PolarHBondContact O-N 2.9Å; V61-A63 VanDerWaalsContact C-N 3.33Å; V61-A63 PolarHBondContact O-N 2.8Å; A63-F65 VanDerWaalsContact C-N 3.33Å; A63-F65 PolarHBondContact O-N 3.05Å; A63-R66 PolarHBondContact O-N 3.35Å; A63-V148 HydrophobicContact CB-CG1 4Å; A63-I152 HydrophobicContact CB-CG1 4.41Å
64	H	64.9	Low	67.7	Low	29 Å²	29	47.8 Å²	47.8	13%	0.134	24%	0.239	C	C	.	.	H	α-helix	trans	-55.4	-43.5	178.2	-179.1	75.8	0	0	0	113.1	P60 V61 A151 F154 H276	P60-H64 PolarHBondContact O-N 3.34Å; P60-H64 VanDerWaalsContact O-N 3.12Å; V61-H64 PolarHBondContact O-N 2.85Å; H64-A151 HydrophobicContact CB-CB 4.16Å; H64-A151 PolarHBondContact ND1-O 2.9Å; H64-F154 PolarHBondContact CE1-O 3.1Å; H64-F154 VanDerWaalsContact CE1-O 3.24Å; H64-H276 AromaticContact CE1-CD2 3.81Å; H64-H276 AromaticContact CE1-NE2 3.31Å; H64-H276 PolarHBondContact CE1-NE2 3.06Å; H64-H276 VanDerWaalsContact CE1-NE2 3.31Å; H64-H276 AromaticContact NE2-NE2 3.61Å
65	F	62.1	Low	69.7	Low	81 Å²	81	39 Å²	39	36%	0.355	20%	0.198	S	C	.	.	H	α-helix	trans	-83.4	-10.2	-176	-70.4	-65	0	0	0	114.8	R45 V61 A62 A63 W176	R45-F65 WeakPolarHBondContact CD-O 3.29Å; V61-F65 HydrophobicContact CG1-CD2 3.86Å; V61-F65 HydrophobicContact CG1-CE2 3.58Å; V61-F65 WeakPolarHBondContact O-CD2 3.03Å; V61-F65 PolarHBondContact O-N 3.2Å; A62-F65 PolarHBondContact O-N 2.98Å; A63-F65 VanDerWaalsContact C-N 3.33Å; A63-F65 PolarHBondContact O-N 3.05Å; F65-W176 HydrophobicContact CD1-CH2 4.31Å; F65-W176 HydrophobicContact CD1-CZ3 4.24Å; F65-W176 HydrophobicContact CE1-CZ3 4.42Å
66	R	64.9	Low	71.2	Confident	109 Å²	109	37 Å²	37	41%	0.411	18%	0.183	S	C	.	.	H	α-helix	trans	-97.7	-7.8	-177.6	-77.1	-176.4	176.4	-160	-0.4	114.2	R45 A62 A63	R45-R66 WeakPolarHBondContact CB-O 3.46Å; R45-R66 PolarHBondContact N-O 3.45Å; A62-R66 WeakPolarHBondContact O-CB 3.48Å; A62-R66 VanDerWaalsContact O-CG 3.31Å; A62-R66 WeakPolarHBondContact O-CG 3.45Å; A62-R66 PolarHBondContact O-N 3.35Å; A63-R66 PolarHBondContact O-N 3.35Å
67	V	70.1	Confident	72.4	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.012	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	158.9	179.7	-56.9	0	0	0	0	111	L42 V43 L50 I152 A155	L42-V67 HydrophobicContact CD1-CB 3.83Å; L42-V67 HydrophobicContact CD1-CG2 3.96Å; L42-V67 HydrophobicContact CG-CB 4.48Å; V43-V67 WeakPolarHBondContact O-CA 3.38Å; L50-V67 HydrophobicContact CD2-CG1 4.41Å; V67-I152 HydrophobicContact CG2-CG1 4.34Å; V67-I152 HydrophobicContact CG2-CG2 4.31Å; V67-A155 HydrophobicContact CG2-CB 3.64Å
68	L	78.5	Confident	73.7	Confident	22 Å²	22	39.9 Å²	39.9	12%	0.115	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	155.3	171.2	66.3	85.7	0	0	0	110.1	V43 R45 L70 E156 W158	V43-L68 HydrophobicContact CB-CD1 4.03Å; V43-L68 HydrophobicContact CB-CG 4.35Å; V43-L68 PolarHBondContact N-O 3.27Å; V43-L68 PolarHBondContact O-N 3.15Å; R45-L68 HydrophobicContact CG-CD2 3.84Å; R45-L68 HydrophobicContact CG-CG 4.43Å; L68-L70 HydrophobicContact CD1-CB 3.76Å; L68-E156 WeakPolarHBondContact CA-O 3.41Å; L68-W158 HydrophobicContact CD1-CB 4.29Å
69	W	84.1	Confident	75.1	Confident	1 Å²	1	32.5 Å²	32.5	0%	0.004	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	113.4	170.4	-67.5	104	0	0	0	109	Q40 L42 I152 E156 R157 W158 I304 C305 I344	Q40-W69 HydrophobicContact CB-CB 4.42Å; L42-W69 HydrophobicContact CB-CE3 3.95Å; L42-W69 HydrophobicContact CB-CH2 3.86Å; L42-W69 HydrophobicContact CB-CZ3 3.5Å; L42-W69 HydrophobicContact CD1-CD2 3.97Å; L42-W69 HydrophobicContact CD1-CE3 4.13Å; L42-W69 HydrophobicContact CD1-CH2 3.97Å; L42-W69 HydrophobicContact CD1-CZ2 3.8Å; L42-W69 HydrophobicContact CD1-CZ3 4.12Å; L42-W69 HydrophobicContact CD2-CH2 4.45Å; L42-W69 HydrophobicContact CG-CH2 4.31Å; L42-W69 HydrophobicContact CG-CZ3 4.34Å; W69-I152 HydrophobicContact CZ2-CG2 4.27Å; W69-I152 PolarHBondContact NE1-O 3.42Å; W69-E156 PolarHBondContact N-O 2.92Å; W69-R157 HydrophobicContact CB-CB 4.47Å; W69-R157 HydrophobicContact CB-CG 3.74Å; W69-R157 HydrophobicContact CG-CG 4.33Å; W69-R157 CarbonylContact O-C 3.54Å; W69-R157 WeakPolarHBondContact O-CA 3.09Å; W69-W158 PolarHBondContact O-N 3.12Å; W69-I304 HydrophobicContact CD2-CG2 3.97Å; W69-I304 HydrophobicContact CE3-CG2 3.42Å; W69-I304 VanDerWaalsContact CE3-CG2 3.42Å; W69-I304 HydrophobicContact CH2-CG2 3.2Å; W69-I304 HydrophobicContact CZ2-CG2 3.78Å; W69-I304 HydrophobicContact CZ3-CB 4.42Å; W69-I304 HydrophobicContact CZ3-CG2 3Å; W69-C305 WeakPolarHBondContact CZ3-O 3.35Å; W69-I344 HydrophobicContact CH2-CG2 4.04Å
70	L	83.7	Confident	76.4	Confident	5 Å²	5	29.5 Å²	29.5	3%	0.026	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	125.4	-178.9	171.9	59.3	0	0	0	109.9	Q40 E41 V43 L68 T72 W158 F208	Q40-L70 CarbonylContact C-O 3.58Å; Q40-L70 VanDerWaalsContact CA-O 3.26Å; Q40-L70 WeakPolarHBondContact CA-O 3.33Å; E41-L70 PolarHBondContact N-O 2.92Å; E41-L70 PolarHBondContact O-N 3.27Å; V43-L70 HydrophobicContact CG2-CB 3.73Å; V43-L70 HydrophobicContact CG2-CD2 3.96Å; V43-L70 HydrophobicContact CG2-CG 4.48Å; L68-L70 HydrophobicContact CD1-CB 3.76Å; L70-T72 HydrophobicContact CG-CG2 4.28Å; L70-T72 PolarHBondContact O-N 3.37Å; L70-W158 HydrophobicContact CD1-CD2 4.33Å; L70-W158 HydrophobicContact CD1-CE3 3.18Å; L70-W158 HydrophobicContact CD1-CZ3 3.43Å; L70-W158 VanDerWaalsContact CD1-CZ3 3.43Å; L70-F208 HydrophobicContact CD2-CE1 4.28Å
71	E	86.8	Confident	77.6	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	117	168.6	-173.7	-179.3	172.3	0	0	110.8	E38 R74 F89 W158 H159	E38-E71 HydrophobicContact CG-CG 3.7Å; E38-E71 WeakPolarHBondContact OE1-CG 3.36Å; E71-R74 WeakPolarHBondContact OE1-CD 3.31Å; E71-F89 HydrophobicContact CG-CZ 3.97Å; E71-F89 WeakPolarHBondContact OE1-CZ 3.41Å; E71-W158 PolarHBondContact N-O 3.03Å; E71-H159 IonicContact OE2-CG 2.65Å; E71-H159 IonicContact OE2-ND1 3.2Å; E71-H159 PolarHBondContact OE2-ND1 3.43Å
72	T	87.2	Confident	78.7	Confident	30 Å²	30	29.6 Å²	29.6	18%	0.184	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-28.7	-177	57.8	0	0	0	0	113.1	L39 E41 L70 F82	L39-T72 PolarHBondContact O-N 3.27Å; L39-T72 PolarHBondContact O-OG1 2.68Å; E41-T72 HydrophobicContact CB-CG2 3.72Å; L70-T72 HydrophobicContact CG-CG2 4.28Å; L70-T72 PolarHBondContact O-N 3.37Å; T72-F82 WeakPolarHBondContact O-CB 3.5Å; T72-F82 PolarHBondContact O-N 3.34Å
73	A	90.3	Very high	79.3	Confident	2 Å²	2	30.3 Å²	30.3	2%	0.017	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	154.3	179.3	0	0	0	0	0	111.5	L39 W75 E80 N81	L39-A73 HydrophobicContact CB-CB 4.33Å; L39-A73 HydrophobicContact CD2-CB 4.35Å; L39-A73 PolarHBondContact N-O 2.87Å; A73-W75 HydrophobicContact CB-CH2 3.43Å; A73-W75 VanDerWaalsContact CB-CH2 3.43Å; A73-W75 HydrophobicContact CB-CZ2 4.09Å; A73-W75 HydrophobicContact CB-CZ3 3.81Å; A73-E80 CarbonylContact C-O 3.57Å; A73-E80 VanDerWaalsContact CA-O 3.3Å; A73-E80 WeakPolarHBondContact CA-O 3.43Å; A73-N81 WeakPolarHBondContact CB-OD1 3.18Å
74	R	90.6	Very high	79.4	Confident	13 Å²	13	33 Å²	33	5%	0.049	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	154.1	178	65.2	-172.3	-175.3	-164.8	-6.7	112.3	F36 I37 E71 E80 F89 E161 E332	F36-R74 HydrophobicContact CE2-CB 4.37Å; F36-R74 HydrophobicContact CZ-CB 4.21Å; I37-R74 CarbonylContact O-C 3.57Å; I37-R74 VanDerWaalsContact O-CA 3.28Å; I37-R74 WeakPolarHBondContact O-CA 3.42Å; E71-R74 WeakPolarHBondContact OE1-CD 3.31Å; R74-E80 HydrophobicContact CG-CB 3.99Å; R74-E80 IonicContact CZ-OE2 2.94Å; R74-E80 PolarHBondContact N-O 3.07Å; R74-E80 IonicContact NE-OE2 3.79Å; R74-E80 PolarHBondContact NE-OE2 3.03Å; R74-E80 IonicContact NH2-OE2 3.3Å; R74-E80 PolarHBondContact NH2-OE2 3.49Å; R74-E80 PolarHBondContact O-N 3.16Å; R74-F89 HydrophobicContact CG-CD1 4.12Å; R74-F89 HydrophobicContact CG-CE1 3.9Å; R74-F89 HydrophobicContact CG-CZ 4.49Å; R74-F89 VanDerWaalsContact CZ-CD2 3.45Å; R74-E161 IonicContact CZ-OE2 2.7Å; R74-E161 IonicContact NH1-OE2 3.88Å; R74-E161 PolarHBondContact NH1-OE2 2.98Å; R74-E161 IonicContact NH2-OE1 3.14Å; R74-E161 PolarHBondContact NH2-OE1 3.47Å; R74-E161 IonicContact NH2-OE2 2.76Å; R74-E161 PolarHBondContact NH2-OE2 2.89Å; R74-E332 IonicContact NH1-OE2 2.8Å; R74-E332 PolarHBondContact NH1-OE2 3.11Å; R74-E332 VanDerWaalsContact NH1-OE2 3.09Å
75	W	90	Very high	79.4	Confident	2 Å²	2	38 Å²	38	1%	0.008	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	139.9	177.9	-56.9	-106.5	0	0	0	111.5	I37 L39 A73 F78 E79 R358 A361 V362 T365	I37-W75 HydrophobicContact CB-CB 4.19Å; I37-W75 HydrophobicContact CB-CE3 4.25Å; I37-W75 HydrophobicContact CD1-CB 4.49Å; I37-W75 HydrophobicContact CG2-CE3 4.09Å; I37-W75 PolarHBondContact N-O 3.3Å; I37-W75 PolarHBondContact O-N 3.3Å; L39-W75 HydrophobicContact CB-CH2 4.04Å; L39-W75 HydrophobicContact CB-CZ3 3.71Å; L39-W75 HydrophobicContact CD2-CH2 4.15Å; A73-W75 HydrophobicContact CB-CH2 3.43Å; A73-W75 VanDerWaalsContact CB-CH2 3.43Å; A73-W75 HydrophobicContact CB-CZ2 4.09Å; A73-W75 HydrophobicContact CB-CZ3 3.81Å; W75-F78 WeakPolarHBondContact CA-O 3.13Å; W75-E79 VanDerWaalsContact CD1-CA 3.47Å; W75-E79 HydrophobicContact CZ2-CG 3.77Å; W75-E79 WeakPolarHBondContact CZ2-OE1 3.2Å; W75-E79 VanDerWaalsContact NE1-CB 3.27Å; W75-R358 HydrophobicContact CH2-CG 4.05Å; W75-R358 HydrophobicContact CZ2-CG 3.88Å; W75-A361 HydrophobicContact CD2-CB 4.34Å; W75-A361 HydrophobicContact CE3-CB 3.85Å; W75-A361 HydrophobicContact CH2-CB 3.7Å; W75-A361 HydrophobicContact CZ2-CB 4.17Å; W75-A361 HydrophobicContact CZ3-CB 3.53Å; W75-V362 HydrophobicContact CZ2-CG2 4.08Å; W75-T365 HydrophobicContact CB-CG2 3.77Å; W75-T365 HydrophobicContact CG-CG2 3.87Å
76	V	81.6	Confident	79.6	Confident	41 Å²	41	38.7 Å²	38.7	25%	0.248	19%	0.194	C	C	.	.	S	Bend	trans	-113.2	-50.3	158.5	179.6	0	0	0	0	109.2	F36 L294	F36-V76 HydrophobicContact CD2-CG2 3.94Å; F36-V76 HydrophobicContact CE2-CG2 4.47Å; V76-L294 HydrophobicContact CG1-CD2 3.84Å; V76-L294 HydrophobicContact CG2-CD2 3.84Å
77	N	74.3	Confident	79.8	Confident	61 Å²	61	38.9 Å²	38.9	33%	0.326	20%	0.199	S	C	.	.	S	Bend	trans	-138.1	-18.5	168.5	-64.7	-47.9	0	0	0	112.1	H27	H27-N77 PolarHBondContact CD2-O 3.34Å; H27-N77 PolarHBondContact NE2-O 3.46Å
78	F	79.1	Confident	80.1	Confident	77 Å²	77	45.3 Å²	45.3	34%	0.338	22%	0.224	S	C	.	.	S	Bend	trans	-136	154.5	-175	-63.6	-68.5	0	0	0	107.9	L5 W75 A92 H93 V94	L5-F78 HydrophobicContact CD1-CE1 3.86Å; L5-F78 HydrophobicContact CD1-CZ 3.93Å; W75-F78 WeakPolarHBondContact CA-O 3.13Å; F78-A92 HydrophobicContact CB-CB 3.95Å; F78-H93 WeakPolarHBondContact CB-O 3.4Å; F78-V94 HydrophobicContact CD1-CG2 4.11Å; F78-V94 HydrophobicContact CE1-CG2 4.06Å
79	E	83.4	Confident	80.2	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	130.7	-179.1	-172.4	170.2	-153.9	0	0	110.1	W75 N81 A92 H93 P95 R358	W75-E79 VanDerWaalsContact CD1-CA 3.47Å; W75-E79 HydrophobicContact CZ2-CG 3.77Å; W75-E79 WeakPolarHBondContact CZ2-OE1 3.2Å; W75-E79 VanDerWaalsContact NE1-CB 3.27Å; E79-N81 WeakPolarHBondContact CG-OD1 3.25Å; E79-N81 PolarHBondContact OE1-OD1 3.29Å; E79-A92 WeakPolarHBondContact O-CA 3.46Å; E79-H93 PolarHBondContact N-O 3.33Å; E79-H93 PolarHBondContact O-CE1 3.15Å; E79-H93 PolarHBondContact O-N 2.94Å; E79-H93 PolarHBondContact O-ND1 3.17Å; E79-H93 VanDerWaalsContact O-ND1 3.11Å; E79-H93 IonicContact OE2-NE2 4Å; E79-P95 HydrophobicContact CB-CB 4.12Å; E79-P95 VanDerWaalsContact OE2-CA 3.25Å; E79-P95 WeakPolarHBondContact OE2-CA 3.42Å; E79-P95 WeakPolarHBondContact OE2-CB 3.22Å; E79-R358 VanDerWaalsContact CD-NH1 3.3Å; E79-R358 WeakPolarHBondContact OE1-CD 3.44Å; E79-R358 IonicContact OE1-CZ 3.9Å; E79-R358 IonicContact OE1-NE 3.91Å; E79-R358 IonicContact OE1-NH1 2.59Å; E79-R358 PolarHBondContact OE1-NH1 2.83Å; E79-R358 IonicContact OE2-NH1 3.15Å; E79-R358 PolarHBondContact OE2-NH1 3.07Å
80	E	85.9	Confident	80	Confident	43 Å²	43	47 Å²	47	20%	0.201	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	118.4	163.9	-68	-174.6	164	0	0	107.6	A73 R74 F89 A92	A73-E80 CarbonylContact C-O 3.57Å; A73-E80 VanDerWaalsContact CA-O 3.3Å; A73-E80 WeakPolarHBondContact CA-O 3.43Å; R74-E80 HydrophobicContact CG-CB 3.99Å; R74-E80 IonicContact CZ-OE2 2.94Å; R74-E80 PolarHBondContact N-O 3.07Å; R74-E80 IonicContact NE-OE2 3.79Å; R74-E80 PolarHBondContact NE-OE2 3.03Å; R74-E80 IonicContact NH2-OE2 3.3Å; R74-E80 PolarHBondContact NH2-OE2 3.49Å; R74-E80 PolarHBondContact O-N 3.16Å; E80-F89 HydrophobicContact CB-CB 4.27Å; E80-F89 HydrophobicContact CB-CD1 4.08Å; E80-A92 HydrophobicContact CG-CB 4.02Å
81	N	85	Confident	79.6	Confident	48 Å²	48	53.3 Å²	53.3	26%	0.257	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	139.9	179	-70.4	-37.8	0	0	0	109.6	A73 E79 N83 F89 T90 H93	A73-N81 WeakPolarHBondContact CB-OD1 3.18Å; E79-N81 WeakPolarHBondContact CG-OD1 3.25Å; E79-N81 PolarHBondContact OE1-OD1 3.29Å; N81-N83 PolarHBondContact O-N 3.47Å; N81-F89 CarbonylContact O-C 3.59Å; N81-F89 WeakPolarHBondContact O-CA 3.35Å; N81-T90 HydrophobicContact CB-CG2 4.35Å; N81-T90 PolarHBondContact N-OG1 2.65Å; N81-T90 WeakPolarHBondContact O-CG2 3.26Å; N81-T90 PolarHBondContact O-N 3.32Å; N81-T90 PolarHBondContact O-OG1 3.13Å; N81-H93 PolarHBondContact ND2-CE1 2.81Å; N81-H93 PolarHBondContact ND2-NE2 3.27Å
82	F	83.9	Confident	79	Confident	21 Å²	21	54.8 Å²	54.8	9%	0.092	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	114.1	174.4	-177.5	-115.8	0	0	0	109.7	T72 E84 F89 W158 P160	T72-F82 WeakPolarHBondContact O-CB 3.5Å; T72-F82 PolarHBondContact O-N 3.34Å; F82-E84 HydrophobicContact CD1-CG 4.11Å; F82-E84 HydrophobicContact CE1-CG 4.2Å; F82-E84 PolarHBondContact O-N 3.12Å; F82-F89 HydrophobicContact CB-CD1 4.17Å; F82-F89 HydrophobicContact CB-CE1 3.85Å; F82-F89 HydrophobicContact CB-CZ 4.15Å; F82-F89 HydrophobicContact CD2-CD2 4.2Å; F82-F89 HydrophobicContact CD2-CE2 4.1Å; F82-F89 HydrophobicContact CD2-CZ 4.31Å; F82-W158 HydrophobicContact CE1-CH2 4.48Å; F82-W158 HydrophobicContact CE1-CZ3 4.11Å; F82-W158 HydrophobicContact CZ-CH2 4.12Å; F82-W158 HydrophobicContact CZ-CZ3 4.09Å; F82-P160 HydrophobicContact CD1-CG 4.22Å; F82-P160 HydrophobicContact CD2-CB 3.81Å; F82-P160 HydrophobicContact CD2-CG 3.36Å; F82-P160 HydrophobicContact CE1-CB 4.45Å; F82-P160 HydrophobicContact CE1-CG 4.11Å; F82-P160 HydrophobicContact CE2-CB 3.18Å; F82-P160 HydrophobicContact CE2-CG 3.26Å; F82-P160 HydrophobicContact CG-CG 3.87Å; F82-P160 HydrophobicContact CZ-CB 3.56Å; F82-P160 HydrophobicContact CZ-CG 3.65Å
83	N	76.1	Confident	78.2	Confident	48 Å²	48	54 Å²	54	26%	0.257	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	100.7	173.9	-174.1	-15.8	0	0	0	109.2	N81 V85 E86 Q87 R88 T90	N81-N83 PolarHBondContact O-N 3.47Å; N83-V85 PolarHBondContact O-N 3.36Å; N83-V85 VanDerWaalsContact O-N 3.16Å; N83-V85 WeakPolarHBondContact OD1-CB 3.09Å; N83-V85 PolarHBondContact OD1-N 3.49Å; N83-E86 HydrophobicContact CB-CB 4.3Å; N83-E86 WeakPolarHBondContact ND2-CG 3.46Å; N83-E86 PolarHBondContact ND2-OE2 3.38Å; N83-E86 PolarHBondContact O-N 2.81Å; N83-E86 VanDerWaalsContact O-N 3.17Å; N83-E86 PolarHBondContact OD1-N 3.27Å; N83-Q87 PolarHBondContact O-N 2.89Å; N83-R88 WeakPolarHBondContact CB-O 3.26Å; N83-R88 PolarHBondContact N-O 3.37Å; N83-T90 HydrophobicContact CB-CG2 4.22Å
84	E	65.9	Low	77.2	Confident	58 Å²	58	54.1 Å²	54.1	27%	0.271	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-32	179.8	-60.6	178.9	167.9	0	0	113	F82 Q87 F208	F82-E84 HydrophobicContact CD1-CG 4.11Å; F82-E84 HydrophobicContact CE1-CG 4.2Å; F82-E84 PolarHBondContact O-N 3.12Å; E84-Q87 PolarHBondContact O-NE2 3.48Å; E84-F208 HydrophobicContact CG-CD1 4.34Å; E84-F208 HydrophobicContact CG-CE1 4.46Å; E84-F208 WeakPolarHBondContact OE2-CD1 3.45Å
85	V	63.5	Low	76.2	Confident	134 Å²	134	53.8 Å²	53.8	81%	0.812	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-41.8	-179	-177.3	0	0	0	0	111.2	N83	N83-V85 PolarHBondContact O-N 3.36Å; N83-V85 VanDerWaalsContact O-N 3.16Å; N83-V85 WeakPolarHBondContact OD1-CB 3.09Å; N83-V85 PolarHBondContact OD1-N 3.49Å
86	E	67.1	Low	75.3	Confident	96 Å²	96	55.2 Å²	55.2	45%	0.449	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-7.4	-178.2	-63	-174.4	147.4	0	0	113	N83 R88	N83-E86 HydrophobicContact CB-CB 4.3Å; N83-E86 WeakPolarHBondContact ND2-CG 3.46Å; N83-E86 PolarHBondContact ND2-OE2 3.38Å; N83-E86 PolarHBondContact O-N 2.81Å; N83-E86 VanDerWaalsContact O-N 3.17Å; N83-E86 PolarHBondContact OD1-N 3.27Å; E86-R88 HydrophobicContact CB-CG 3.71Å; E86-R88 PolarHBondContact O-N 3.4Å; E86-R88 IonicContact OE1-CZ 3.81Å; E86-R88 IonicContact OE1-NH2 2.88Å; E86-R88 PolarHBondContact OE1-NH2 3.02Å; E86-R88 IonicContact OE2-CZ 3.97Å; E86-R88 IonicContact OE2-NE 2.87Å; E86-R88 PolarHBondContact OE2-NE 3.03Å; E86-R88 IonicContact OE2-NH2 3.08Å; E86-R88 PolarHBondContact OE2-NH2 3.4Å
87	Q	69.1	Low	74.7	Confident	112 Å²	112	53.6 Å²	53.6	52%	0.523	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	38.5	-175.9	-65.4	-74.1	-56.5	0	0	112.2	N83 E84	N83-Q87 PolarHBondContact O-N 2.89Å; E84-Q87 PolarHBondContact O-NE2 3.48Å
88	R	76.5	Confident	74.5	Confident	138 Å²	138	53.2 Å²	53.2	52%	0.521	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	155.7	178.9	67.3	-178.5	-179.7	168.6	-1.1	109.8	N83 E86	N83-R88 WeakPolarHBondContact CB-O 3.26Å; N83-R88 PolarHBondContact N-O 3.37Å; E86-R88 HydrophobicContact CB-CG 3.71Å; E86-R88 PolarHBondContact O-N 3.4Å; E86-R88 IonicContact OE1-CZ 3.81Å; E86-R88 IonicContact OE1-NH2 2.88Å; E86-R88 PolarHBondContact OE1-NH2 3.02Å; E86-R88 IonicContact OE2-CZ 3.97Å; E86-R88 IonicContact OE2-NE 2.87Å; E86-R88 PolarHBondContact OE2-NE 3.03Å; E86-R88 IonicContact OE2-NH2 3.08Å; E86-R88 PolarHBondContact OE2-NH2 3.4Å
89	F	80.1	Confident	74	Confident	16 Å²	16	54.6 Å²	54.6	7%	0.07	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	145.3	168.3	-75	-90.3	0	0	0	111.3	E71 R74 E80 N81 F82 P160 E161	E71-F89 HydrophobicContact CG-CZ 3.97Å; E71-F89 WeakPolarHBondContact OE1-CZ 3.41Å; R74-F89 HydrophobicContact CG-CD1 4.12Å; R74-F89 HydrophobicContact CG-CE1 3.9Å; R74-F89 HydrophobicContact CG-CZ 4.49Å; R74-F89 VanDerWaalsContact CZ-CD2 3.45Å; E80-F89 HydrophobicContact CB-CB 4.27Å; E80-F89 HydrophobicContact CB-CD1 4.08Å; N81-F89 CarbonylContact O-C 3.59Å; N81-F89 WeakPolarHBondContact O-CA 3.35Å; F82-F89 HydrophobicContact CB-CD1 4.17Å; F82-F89 HydrophobicContact CB-CE1 3.85Å; F82-F89 HydrophobicContact CB-CZ 4.15Å; F82-F89 HydrophobicContact CD2-CD2 4.2Å; F82-F89 HydrophobicContact CD2-CE2 4.1Å; F82-F89 HydrophobicContact CD2-CZ 4.31Å; F89-P160 HydrophobicContact CE2-CG 3.91Å; F89-P160 HydrophobicContact CZ-CG 4.21Å; F89-E161 HydrophobicContact CD2-CG 4.08Å; F89-E161 HydrophobicContact CE2-CG 4.26Å
90	T	81	Confident	73.5	Confident	42 Å²	42	56.6 Å²	56.6	26%	0.258	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-65.5	164.8	172.5	60.5	0	0	0	0	110.8	N81 N83	N81-T90 HydrophobicContact CB-CG2 4.35Å; N81-T90 PolarHBondContact N-OG1 2.65Å; N81-T90 WeakPolarHBondContact O-CG2 3.26Å; N81-T90 PolarHBondContact O-N 3.32Å; N81-T90 PolarHBondContact O-OG1 3.13Å; N83-T90 HydrophobicContact CB-CG2 4.22Å
91	E	74	Confident	73.1	Confident	138 Å²	138	55.6 Å²	55.6	65%	0.645	28%	0.282	S	S	*	.	P	Polyproline II helix	trans	-61.3	144	167.8	-62.3	-171.9	173.4	0	0	110.7	Y6 H93	Y6-E91 WeakPolarHBondContact CE2-OE2 3.39Å; E91-H93 PolarHBondContact O-N 3.17Å; E91-H93 PolarHBondContact O-ND1 3.38Å
92	A	74.5	Confident	72.9	Confident	30 Å²	30	53.4 Å²	53.4	25%	0.248	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-57.8	123	178.1	0	0	0	0	0	111.1	F78 E79 E80	F78-A92 HydrophobicContact CB-CB 3.95Å; E79-A92 WeakPolarHBondContact O-CA 3.46Å; E80-A92 HydrophobicContact CG-CB 4.02Å
93	H	71.2	Confident	72.8	Confident	15 Å²	15	55.1 Å²	55.1	7%	0.069	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-134.3	165.8	-178.5	58.3	-77.2	0	0	0	111.6	Y6 V8 F78 E79 N81 E91	Y6-H93 WeakPolarHBondContact O-CB 3.04Å; V8-H93 HydrophobicContact CG2-CB 4.47Å; F78-H93 WeakPolarHBondContact CB-O 3.4Å; E79-H93 PolarHBondContact N-O 3.33Å; E79-H93 PolarHBondContact O-CE1 3.15Å; E79-H93 PolarHBondContact O-N 2.94Å; E79-H93 PolarHBondContact O-ND1 3.17Å; E79-H93 VanDerWaalsContact O-ND1 3.11Å; E79-H93 IonicContact OE2-NE2 4Å; N81-H93 PolarHBondContact ND2-CE1 2.81Å; N81-H93 PolarHBondContact ND2-NE2 3.27Å; E91-H93 PolarHBondContact O-N 3.17Å; E91-H93 PolarHBondContact O-ND1 3.38Å
94	V	67.8	Low	73	Confident	4 Å²	4	55.5 Å²	55.5	2%	0.024	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-78.9	124.8	177.1	-173.6	0	0	0	0	108.8	L5 L24 F26 F78 P96	L5-V94 HydrophobicContact CD1-CG2 4.31Å; L5-V94 HydrophobicContact CD2-CG2 3.88Å; L5-V94 HydrophobicContact CG-CG2 4.13Å; L24-V94 HydrophobicContact CB-CG1 4.3Å; L24-V94 HydrophobicContact CD2-CB 4.2Å; L24-V94 HydrophobicContact CD2-CG1 3.58Å; L24-V94 HydrophobicContact CG-CG1 4.47Å; F26-V94 HydrophobicContact CE1-CG2 4.48Å; F78-V94 HydrophobicContact CD1-CG2 4.11Å; F78-V94 HydrophobicContact CE1-CG2 4.06Å; V94-P96 VanDerWaalsContact O-CD 3.31Å; V94-P96 WeakPolarHBondContact O-CD 3.37Å
95	P	70.9	Confident	73.9	Confident	5 Å²	5	52.8 Å²	52.8	3%	0.032	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-66.9	120.2	-177.9	24.1	-32.8	0	0	0	111.3	E79 V362	E79-P95 HydrophobicContact CB-CB 4.12Å; E79-P95 VanDerWaalsContact OE2-CA 3.25Å; E79-P95 WeakPolarHBondContact OE2-CA 3.42Å; E79-P95 WeakPolarHBondContact OE2-CB 3.22Å; P95-V362 HydrophobicContact CB-CB 4.43Å; P95-V362 HydrophobicContact CB-CG1 3.91Å; P95-V362 HydrophobicContact CB-CG2 3.54Å; P95-V362 HydrophobicContact CG-CB 4.32Å; P95-V362 HydrophobicContact CG-CG1 3.47Å; P95-V362 VanDerWaalsContact CG-CG1 3.47Å; P95-V362 HydrophobicContact CG-CG2 3.86Å
96	P	69.5	Low	75	Confident	33 Å²	33	49.8 Å²	49.8	21%	0.214	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-78.7	135.9	171.8	31	-31.9	0	0	0	110.4	Y22 V94 R358	Y22-P96 HydrophobicContact CD1-CB 4.04Å; Y22-P96 HydrophobicContact CE1-CB 4.49Å; V94-P96 VanDerWaalsContact O-CD 3.31Å; V94-P96 WeakPolarHBondContact O-CD 3.37Å; P96-R358 PolarHBondContact O-NH2 3.16Å
97	M	70	Confident	75.9	Confident	6 Å²	6	49.2 Å²	49.2	3%	0.03	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	135.7	175.5	-67.5	174.4	58.7	0	0	111.7	K23 I102 I359 V362 M363 F389	K23-M97 PolarHBondContact N-O 3.45Å; M97-I102 HydrophobicContact CB-CD1 4.43Å; M97-I102 HydrophobicContact CE-CD1 3.74Å; M97-I102 HydrophobicContact CE-CG1 3.44Å; M97-I102 VanDerWaalsContact CE-CG1 3.44Å; M97-I359 HydrophobicContact CE-CB 4.34Å; M97-I359 HydrophobicContact CE-CG1 4.18Å; M97-I359 HydrophobicContact CE-CG2 3.76Å; M97-V362 HydrophobicContact CG-CG1 4.28Å; M97-V362 HydrophobicContact SD-CB 3.78Å; M97-V362 HydrophobicContact SD-CG1 3.31Å; M97-V362 WeakPolarHBondContact SD-CG1 3.38Å; M97-M363 HydrophobicContact CE-CG 4.35Å; M97-F389 HydrophobicContact CE-CE1 4.35Å; M97-F389 HydrophobicContact SD-CZ 4.3Å
98	K	69.1	Low	76.7	Confident	54 Å²	54	45.6 Å²	45.6	24%	0.235	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	136.8	172.7	-64.7	179.9	-178.8	177.2	0	110.1	H12 Y22 S100 C101 I102	H12-K98 PolarHBondContact NE2-NZ 2.99Å; Y22-K98 HydrophobicContact CD1-CG 4.29Å; Y22-K98 HydrophobicContact CE1-CG 3.82Å; K98-S100 VanDerWaalsContact C-N 3.31Å; K98-S100 PolarHBondContact O-N 3.22Å; K98-C101 HydrophobicContact CB-CB 4.4Å; K98-C101 PolarHBondContact O-N 3.03Å; K98-I102 PolarHBondContact O-N 2.74Å
99	F	69	Low	77.2	Confident	105 Å²	105	39.1 Å²	39.1	46%	0.461	21%	0.206	S	C	.	.	H	α-helix	trans	-63	-37.2	179.2	-173.2	-93.7	0	0	0	112.5	C101 I102 N103 M390	F99-C101 VanDerWaalsContact C-N 3.35Å; F99-C101 PolarHBondContact O-N 3.4Å; F99-I102 PolarHBondContact O-N 3.2Å; F99-N103 WeakPolarHBondContact CD1-ND2 3.49Å; F99-N103 WeakPolarHBondContact CE1-ND2 3.47Å; F99-N103 PolarHBondContact O-N 3.37Å; F99-M390 HydrophobicContact CD2-CE 3.35Å; F99-M390 HydrophobicContact CE2-CE 3.13Å; F99-M390 HydrophobicContact CZ-CE 4.18Å
100	S	74.2	Confident	77.5	Confident	43 Å²	43	43.9 Å²	43.9	30%	0.301	23%	0.228	S	C	.	.	H	α-helix	trans	-57.9	-45.7	175.7	44.3	0	0	0	0	111.7	K98 I102 N103 S104	K98-S100 VanDerWaalsContact C-N 3.31Å; K98-S100 PolarHBondContact O-N 3.22Å; S100-I102 PolarHBondContact O-N 3.3Å; S100-N103 PolarHBondContact O-N 2.89Å; S100-S104 PolarHBondContact O-N 3.28Å; S100-S104 PolarHBondContact O-OG 3.22Å
101	C	76.8	Confident	77.6	Confident	22 Å²	22	48.9 Å²	48.9	15%	0.149	25%	0.249	C	C	.	.	H	α-helix	trans	-66.8	-33.3	-179.8	-52.6	0	0	0	0	113	K98 F99 F105 E355 I359	K98-C101 HydrophobicContact CB-CB 4.4Å; K98-C101 PolarHBondContact O-N 3.03Å; F99-C101 VanDerWaalsContact C-N 3.35Å; F99-C101 PolarHBondContact O-N 3.4Å; C101-F105 VanDerWaalsContact O-CB 3.3Å; C101-F105 WeakPolarHBondContact O-CB 3.44Å; C101-F105 PolarHBondContact O-N 2.75Å; C101-E355 PolarHBondContact SG-OE1 2.75Å; C101-I359 HydrophobicContact CB-CD1 3.51Å
102	I	81.6	Confident	78.1	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-64.1	-42.7	174.4	-65.5	156.9	0	0	0	110.9	M97 K98 F99 S100 F105 R106 I386 M390	M97-I102 HydrophobicContact CB-CD1 4.43Å; M97-I102 HydrophobicContact CE-CD1 3.74Å; M97-I102 HydrophobicContact CE-CG1 3.44Å; M97-I102 VanDerWaalsContact CE-CG1 3.44Å; K98-I102 PolarHBondContact O-N 2.74Å; F99-I102 PolarHBondContact O-N 3.2Å; S100-I102 PolarHBondContact O-N 3.3Å; I102-F105 WeakPolarHBondContact O-CB 3.29Å; I102-F105 PolarHBondContact O-N 3.08Å; I102-R106 PolarHBondContact O-N 3.26Å; I102-I386 HydrophobicContact CG2-CG2 4.19Å; I102-M390 HydrophobicContact CD1-CE 4.02Å; I102-M390 HydrophobicContact CD1-SD 3.76Å; I102-M390 HydrophobicContact CG2-CE 4.24Å; I102-M390 HydrophobicContact CG2-CG 4.48Å; I102-M390 HydrophobicContact CG2-SD 4.01Å
103	N	80.8	Confident	78.7	Confident	57 Å²	57	44.5 Å²	44.5	31%	0.305	23%	0.226	S	C	.	.	H	α-helix	trans	-67.4	-44.5	178.2	-68.2	-23.1	0	0	0	111.3	F99 S100 F105 R106 D107	F99-N103 WeakPolarHBondContact CD1-ND2 3.49Å; F99-N103 WeakPolarHBondContact CE1-ND2 3.47Å; F99-N103 PolarHBondContact O-N 3.37Å; S100-N103 PolarHBondContact O-N 2.89Å; N103-F105 PolarHBondContact O-N 3.05Å; N103-R106 WeakPolarHBondContact O-CB 3.09Å; N103-R106 PolarHBondContact O-N 3.36Å; N103-R106 VanDerWaalsContact O-N 3.16Å; N103-D107 PolarHBondContact O-N 3.5Å
104	S	80.8	Confident	79.6	Confident	56 Å²	56	48.5 Å²	48.5	39%	0.392	24%	0.243	S	C	.	.	H	α-helix	trans	-60.6	-34.4	174	-58	0	0	0	0	112.5	S100 K108	S100-S104 PolarHBondContact O-N 3.28Å; S100-S104 PolarHBondContact O-OG 3.22Å; S104-K108 WeakPolarHBondContact O-CB 3.38Å; S104-K108 VanDerWaalsContact O-CG 3.28Å; S104-K108 WeakPolarHBondContact O-CG 3.36Å; S104-K108 PolarHBondContact O-N 2.71Å; S104-K108 VanDerWaalsContact O-N 3.14Å
105	F	85.3	Confident	80.6	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.009	25%	0.248	C	C	.	.	H	α-helix	trans	-68	-44.8	174	-175.9	-121.8	0	0	0	112.1	C101 I102 N103 D107 K108 L109 F341 L356 I359 F360 M363	C101-F105 VanDerWaalsContact O-CB 3.3Å; C101-F105 WeakPolarHBondContact O-CB 3.44Å; C101-F105 PolarHBondContact O-N 2.75Å; I102-F105 WeakPolarHBondContact O-CB 3.29Å; I102-F105 PolarHBondContact O-N 3.08Å; N103-F105 PolarHBondContact O-N 3.05Å; F105-D107 VanDerWaalsContact C-N 3.32Å; F105-D107 PolarHBondContact O-N 3.38Å; F105-K108 PolarHBondContact O-N 3.13Å; F105-L109 HydrophobicContact CD1-CD1 3.9Å; F105-L109 HydrophobicContact CD1-CG 4.3Å; F105-L109 HydrophobicContact CD2-CD2 4.47Å; F105-L109 HydrophobicContact CD2-CG 4.19Å; F105-L109 HydrophobicContact CE1-CD1 3.41Å; F105-L109 VanDerWaalsContact CE1-CD1 3.41Å; F105-L109 HydrophobicContact CE1-CD2 4.32Å; F105-L109 HydrophobicContact CE1-CG 3.96Å; F105-L109 HydrophobicContact CE2-CD1 4.21Å; F105-L109 HydrophobicContact CE2-CD2 3.68Å; F105-L109 HydrophobicContact CE2-CG 3.82Å; F105-L109 HydrophobicContact CG-CD1 4.49Å; F105-L109 HydrophobicContact CG-CG 4.42Å; F105-L109 HydrophobicContact CZ-CD1 3.57Å; F105-L109 HydrophobicContact CZ-CD2 3.58Å; F105-L109 HydrophobicContact CZ-CG 3.68Å; F105-L109 WeakPolarHBondContact O-CG 3.4Å; F105-L109 PolarHBondContact O-N 2.89Å; F105-F341 HydrophobicContact CE2-CZ 4.21Å; F105-F341 HydrophobicContact CZ-CZ 4.15Å; F105-L356 HydrophobicContact CB-CD2 3.67Å; F105-L356 HydrophobicContact CD2-CB 3.93Å; F105-L356 HydrophobicContact CD2-CD2 3.74Å; F105-L356 HydrophobicContact CD2-CG 4.37Å; F105-L356 HydrophobicContact CE2-CB 4.31Å; F105-L356 HydrophobicContact CG-CD2 4.13Å; F105-I359 HydrophobicContact CB-CG2 4.22Å; F105-I359 HydrophobicContact CD1-CG2 3.57Å; F105-I359 HydrophobicContact CE1-CG2 4.08Å; F105-I359 HydrophobicContact CG-CG2 3.95Å; F105-F360 HydrophobicContact CE1-CB 4.2Å; F105-F360 HydrophobicContact CE1-CD2 4.2Å; F105-F360 HydrophobicContact CE2-CB 4.49Å; F105-F360 HydrophobicContact CZ-CB 3.69Å; F105-F360 AromaticContact CZ-CD2 3.86Å; F105-F360 HydrophobicContact CZ-CD2 3.86Å; F105-F360 HydrophobicContact CZ-CG 4.21Å; F105-M363 HydrophobicContact CD1-SD 4.41Å; F105-M363 HydrophobicContact CE1-SD 4.37Å
106	R	86.8	Confident	81.6	Confident	71 Å²	71	50.5 Å²	50.5	27%	0.268	25%	0.253	S	S	.	.	H	α-helix	trans	-53	-49.3	173.9	178.6	-169.4	-176.9	137.3	14.4	111.3	I102 N103 K108 L109 Q110 I386 D387	I102-R106 PolarHBondContact O-N 3.26Å; N103-R106 WeakPolarHBondContact O-CB 3.09Å; N103-R106 PolarHBondContact O-N 3.36Å; N103-R106 VanDerWaalsContact O-N 3.16Å; R106-K108 PolarHBondContact O-N 2.94Å; R106-L109 PolarHBondContact O-N 3.04Å; R106-Q110 WeakPolarHBondContact O-CB 3.28Å; R106-Q110 PolarHBondContact O-N 3.22Å; R106-I386 HydrophobicContact CB-CD1 4.4Å; R106-D387 IonicContact CZ-OD1 3.05Å; R106-D387 IonicContact CZ-OD2 3.53Å; R106-D387 IonicContact NH1-OD1 3Å; R106-D387 PolarHBondContact NH1-OD1 2.89Å; R106-D387 IonicContact NH1-OD2 2.79Å; R106-D387 IonicContact NH2-OD1 3.45Å; R106-D387 IonicContact NH2-OD2 3.62Å; R106-D387 PolarHBondContact NH2-OD2 3.19Å; R106-D387 VanDerWaalsContact NH2-OD2 3.15Å
107	D	85.7	Confident	82.5	Confident	83 Å²	83	53.3 Å²	53.3	44%	0.444	26%	0.263	S	S	.	.	H	α-helix	trans	-63.8	-43	-178.7	-63.6	-21.2	0	0	0	111.5	N103 F105 Q110 Q111	N103-D107 PolarHBondContact O-N 3.5Å; F105-D107 VanDerWaalsContact C-N 3.32Å; F105-D107 PolarHBondContact O-N 3.38Å; D107-Q110 PolarHBondContact O-N 3.49Å; D107-Q111 WeakPolarHBondContact O-CG 3.46Å; D107-Q111 PolarHBondContact O-N 3.42Å; D107-Q111 VanDerWaalsContact O-N 3.11Å
108	K	84.5	Confident	83.3	Confident	37 Å²	37	53.1 Å²	53.1	16%	0.161	26%	0.262	C	S	.	.	H	α-helix	trans	-66.5	-38.6	178.3	-74.1	173.2	-178.3	-179.1	0	112.6	S104 F105 R106 N112 E350 L351 L356	S104-K108 WeakPolarHBondContact O-CB 3.38Å; S104-K108 VanDerWaalsContact O-CG 3.28Å; S104-K108 WeakPolarHBondContact O-CG 3.36Å; S104-K108 PolarHBondContact O-N 2.71Å; S104-K108 VanDerWaalsContact O-N 3.14Å; F105-K108 PolarHBondContact O-N 3.13Å; R106-K108 PolarHBondContact O-N 2.94Å; K108-N112 PolarHBondContact O-N 3.02Å; K108-E350 PolarHBondContact NZ-O 3.12Å; K108-L351 HydrophobicContact CD-CD2 3.71Å; K108-L351 VanDerWaalsContact NZ-CD2 3.26Å; K108-L356 HydrophobicContact CD-CD1 3.43Å; K108-L356 VanDerWaalsContact CD-CD1 3.43Å; K108-L356 HydrophobicContact CD-CD2 4.46Å
109	L	87.4	Confident	84.1	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-64.2	-45.1	173.7	-72.4	-177.6	0	0	0	111	F105 R106 Q111 L113 L316 F341 I382 I386	F105-L109 HydrophobicContact CD1-CD1 3.9Å; F105-L109 HydrophobicContact CD1-CG 4.3Å; F105-L109 HydrophobicContact CD2-CD2 4.47Å; F105-L109 HydrophobicContact CD2-CG 4.19Å; F105-L109 HydrophobicContact CE1-CD1 3.41Å; F105-L109 VanDerWaalsContact CE1-CD1 3.41Å; F105-L109 HydrophobicContact CE1-CD2 4.32Å; F105-L109 HydrophobicContact CE1-CG 3.96Å; F105-L109 HydrophobicContact CE2-CD1 4.21Å; F105-L109 HydrophobicContact CE2-CD2 3.68Å; F105-L109 HydrophobicContact CE2-CG 3.82Å; F105-L109 HydrophobicContact CG-CD1 4.49Å; F105-L109 HydrophobicContact CG-CG 4.42Å; F105-L109 HydrophobicContact CZ-CD1 3.57Å; F105-L109 HydrophobicContact CZ-CD2 3.58Å; F105-L109 HydrophobicContact CZ-CG 3.68Å; F105-L109 WeakPolarHBondContact O-CG 3.4Å; F105-L109 PolarHBondContact O-N 2.89Å; R106-L109 PolarHBondContact O-N 3.04Å; L109-Q111 PolarHBondContact O-N 3.24Å; L109-L113 HydrophobicContact CB-CB 4.36Å; L109-L113 HydrophobicContact CB-CD2 4.48Å; L109-L113 HydrophobicContact CD2-CB 4.18Å; L109-L113 HydrophobicContact CD2-CD1 4.11Å; L109-L113 HydrophobicContact CD2-CD2 3.96Å; L109-L113 HydrophobicContact CD2-CG 4.3Å; L109-L113 WeakPolarHBondContact O-CB 3.38Å; L109-L113 PolarHBondContact O-N 3.14Å; L109-L316 HydrophobicContact CD2-CD1 4.32Å; L109-L316 HydrophobicContact CD2-CD2 3.85Å; L109-L316 HydrophobicContact CD2-CG 4.44Å; L109-F341 HydrophobicContact CD2-CE2 4.25Å; L109-F341 HydrophobicContact CD2-CZ 4.3Å; L109-I382 HydrophobicContact CD1-CG2 4.31Å; L109-I386 HydrophobicContact CD1-CD1 3.76Å
110	Q	86.5	Confident	84.7	Confident	116 Å²	116	50.7 Å²	50.7	54%	0.542	26%	0.257	S	S	.	.	H	α-helix	trans	-62.3	-33.4	-179.3	-170.8	172.8	-18.7	0	0	112.4	R106 D107 I383	R106-Q110 WeakPolarHBondContact O-CB 3.28Å; R106-Q110 PolarHBondContact O-N 3.22Å; D107-Q110 PolarHBondContact O-N 3.49Å; Q110-I383 HydrophobicContact CB-CD1 3.89Å; Q110-I383 HydrophobicContact CG-CD1 3.84Å
111	Q	84.1	Confident	85	Confident	148 Å²	148	54.1 Å²	54.1	69%	0.692	27%	0.271	S	S	*	.	H	α-helix	trans	-82.3	-42.4	-179.7	-69.8	173.6	6.1	0	0	113.6	D107 L109	D107-Q111 WeakPolarHBondContact O-CG 3.46Å; D107-Q111 PolarHBondContact O-N 3.42Å; D107-Q111 VanDerWaalsContact O-N 3.11Å; L109-Q111 PolarHBondContact O-N 3.24Å
112	N	83.2	Confident	85.2	Confident	62 Å²	62	55.6 Å²	55.6	33%	0.332	28%	0.28	S	S	.	.	H	α-helix	trans	-121.5	-10.2	-163	-59.2	-56.7	0	0	0	114.8	K108 K114 L316	K108-N112 PolarHBondContact O-N 3.02Å; N112-K114 PolarHBondContact O-N 3.25Å; N112-L316 HydrophobicContact CB-CB 4.19Å; N112-L316 HydrophobicContact CB-CD2 3.99Å
113	L	87.7	Confident	85.2	Confident	14 Å²	14	56.7 Å²	56.7	7%	0.073	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	125.6	-173.7	-177.1	65.6	0	0	0	111.8	L109 I115 L316 L318 F341 V379 I382	L109-L113 HydrophobicContact CB-CB 4.36Å; L109-L113 HydrophobicContact CB-CD2 4.48Å; L109-L113 HydrophobicContact CD2-CB 4.18Å; L109-L113 HydrophobicContact CD2-CD1 4.11Å; L109-L113 HydrophobicContact CD2-CD2 3.96Å; L109-L113 HydrophobicContact CD2-CG 4.3Å; L109-L113 WeakPolarHBondContact O-CB 3.38Å; L109-L113 PolarHBondContact O-N 3.14Å; L113-I115 HydrophobicContact CD2-CG1 4.46Å; L113-L316 HydrophobicContact CB-CD2 4.09Å; L113-L316 HydrophobicContact CB-CG 4.28Å; L113-L316 HydrophobicContact CD1-CD1 4.28Å; L113-L316 HydrophobicContact CD1-CD2 4.43Å; L113-L316 HydrophobicContact CD1-CG 3.85Å; L113-L318 HydrophobicContact CD1-CB 4.05Å; L113-F341 HydrophobicContact CD1-CE2 4.18Å; L113-V379 HydrophobicContact CB-CG2 4.46Å; L113-V379 HydrophobicContact CD2-CG1 4.42Å; L113-V379 WeakPolarHBondContact O-CG2 3.3Å; L113-I382 HydrophobicContact CD2-CD1 3.65Å
114	K	89.3	Confident	85.2	Confident	99 Å²	99	54.4 Å²	54.4	43%	0.43	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	124	164.6	-173.9	69.9	177.2	178.7	0	111	N112 I116 Y133 L316 V317 L318	N112-K114 PolarHBondContact O-N 3.25Å; K114-I116 HydrophobicContact CG-CG1 3.92Å; K114-Y133 HydrophobicContact CB-CE1 4.09Å; K114-Y133 HydrophobicContact CB-CE2 3.89Å; K114-Y133 WeakPolarHBondContact CB-OH 2.84Å; K114-Y133 HydrophobicContact CD-CE2 4.04Å; K114-Y133 HydrophobicContact CG-CD2 4.13Å; K114-Y133 HydrophobicContact CG-CE1 4.49Å; K114-Y133 HydrophobicContact CG-CE2 3.56Å; K114-L316 PolarHBondContact N-O 3.23Å; K114-V317 WeakPolarHBondContact O-CA 3.49Å; K114-L318 PolarHBondContact O-N 3.49Å
115	I	90	Very high	85.3	Confident	25 Å²	25	56.6 Å²	56.6	13%	0.128	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	121.7	167.6	-52.2	172.8	0	0	0	107.6	L113 L318 S378 I382	L113-I115 HydrophobicContact CD2-CG1 4.46Å; I115-L318 WeakPolarHBondContact CA-O 3.3Å; I115-S378 WeakPolarHBondContact CD1-O 3.03Å; I115-I382 HydrophobicContact CD1-CD1 3.49Å; I115-I382 VanDerWaalsContact CD1-CD1 3.49Å; I115-I382 HydrophobicContact CD1-CG1 4.2Å; I115-I382 HydrophobicContact CG1-CD1 3.93Å
116	I	90.5	Very high	85.3	Confident	26 Å²	26	56.5 Å²	56.5	13%	0.133	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	116	174.2	-57.1	179.3	0	0	0	107.4	K114 Y133 V317 L318 L319 R320	K114-I116 HydrophobicContact CG-CG1 3.92Å; I116-Y133 HydrophobicContact CD1-CG 4.11Å; I116-V317 HydrophobicContact CB-CG1 4.5Å; I116-V317 HydrophobicContact CD1-CG1 3.61Å; I116-V317 HydrophobicContact CG1-CG1 3.93Å; I116-L318 PolarHBondContact N-O 2.85Å; I116-L319 HydrophobicContact CB-CD2 3.83Å; I116-L319 HydrophobicContact CD1-CD2 4.22Å; I116-L319 HydrophobicContact CG2-CD2 4.04Å; I116-R320 PolarHBondContact O-N 3.39Å
117	Q	89.2	Confident	85.3	Confident	91 Å²	91	53.1 Å²	53.1	43%	0.425	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	119.5	170.1	-68	-178.8	-4.7	0	0	108.3	R320	Q117-R320 WeakPolarHBondContact CA-O 3.37Å
118	T	86.2	Confident	85.4	Confident	2 Å²	2	50.4 Å²	50.4	1%	0.012	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	141.4	-177.3	-173.9	0	0	0	0	111.6	A120 E129 R320 L321 N322	T118-A120 VanDerWaalsContact C-N 3.31Å; T118-A120 HydrophobicContact CG2-CB 4.09Å; T118-A120 VanDerWaalsContact OG1-CB 3.26Å; T118-A120 WeakPolarHBondContact OG1-CB 3.46Å; T118-A120 PolarHBondContact OG1-N 3.32Å; T118-A120 VanDerWaalsContact OG1-N 3.12Å; T118-E129 WeakPolarHBondContact CB-OE2 3.49Å; T118-E129 PolarHBondContact OG1-OE1 3.34Å; T118-E129 PolarHBondContact OG1-OE2 3.42Å; T118-R320 PolarHBondContact N-O 2.87Å; T118-R320 VanDerWaalsContact N-O 3.11Å; T118-L321 HydrophobicContact CG2-CD2 3.34Å; T118-N322 PolarHBondContact O-N 3Å
119	D	86.1	Confident	85.5	Confident	104 Å²	104	51.7 Å²	51.7	56%	0.556	26%	0.259	S	S	*	.			trans	-94.8	12.3	170.6	-69.5	-39	0	0	0	111.7	L121 N322	D119-L121 PolarHBondContact O-N 3.3Å; D119-N322 WeakPolarHBondContact OD1-CB 3.45Å; D119-N322 PolarHBondContact OD1-ND2 3.38Å
120	A	82.4	Confident	85.6	Confident	5 Å²	5	51.6 Å²	51.6	4%	0.041	26%	0.258	C	S	.	.			trans	-51.8	125.1	178.4	0	0	0	0	0	111.8	T118 Q125 A126	T118-A120 VanDerWaalsContact C-N 3.31Å; T118-A120 HydrophobicContact CG2-CB 4.09Å; T118-A120 VanDerWaalsContact OG1-CB 3.26Å; T118-A120 WeakPolarHBondContact OG1-CB 3.46Å; T118-A120 PolarHBondContact OG1-N 3.32Å; T118-A120 VanDerWaalsContact OG1-N 3.12Å; A120-Q125 HydrophobicContact CB-CB 3.69Å; A120-A126 HydrophobicContact CB-CB 3.85Å
121	L	79.9	Confident	85.6	Confident	114 Å²	114	46.1 Å²	46.1	60%	0.597	23%	0.233	S	C	*	.	S	Bend	trans	-90.5	-15.2	178.4	-63	175.3	0	0	0	112.3	D119 Q125 K323	D119-L121 PolarHBondContact O-N 3.3Å; L121-Q125 VanDerWaalsContact N-OE1 3.13Å; L121-K323 HydrophobicContact CD2-CD 3.91Å
122	T	80.8	Confident	85.8	Confident	54 Å²	54	44.2 Å²	44.2	33%	0.331	22%	0.222	S	C	.	.	S	Bend	trans	-127.4	148.4	-177.5	57.9	0	0	0	0	109.8	G124 Q125 A126	T122-G124 PolarHBondContact O-N 3.38Å; T122-Q125 PolarHBondContact O-N 2.97Å; T122-Q125 VanDerWaalsContact OG1-CG 3.3Å; T122-Q125 WeakPolarHBondContact OG1-CG 3.4Å; T122-Q125 PolarHBondContact OG1-N 2.99Å; T122-Q125 PolarHBondContact OG1-OE1 2.91Å; T122-A126 PolarHBondContact O-N 2.92Å
123	L	83	Confident	86.1	Confident	23 Å²	23	43 Å²	43	12%	0.12	21%	0.213	C	C	.	.	H	α-helix	trans	-56.7	-36.2	173.8	-179.5	65.8	0	0	0	111.2	Q125 A126 L127 S328 I330 I340	L123-Q125 PolarHBondContact O-N 3.39Å; L123-A126 PolarHBondContact O-N 3.03Å; L123-L127 HydrophobicContact CD1-CD1 3.91Å; L123-L127 HydrophobicContact CD1-CD2 4.41Å; L123-L127 HydrophobicContact CD1-CG 3.9Å; L123-L127 HydrophobicContact CD2-CD1 4.18Å; L123-L127 HydrophobicContact CG-CD1 3.77Å; L123-L127 HydrophobicContact CG-CG 4.14Å; L123-L127 WeakPolarHBondContact O-CG 3.27Å; L123-L127 PolarHBondContact O-N 3.16Å; L123-S328 WeakPolarHBondContact CD2-O 3.46Å; L123-I330 HydrophobicContact CD1-CB 4.26Å; L123-I330 HydrophobicContact CD1-CD1 3.55Å; L123-I330 HydrophobicContact CD1-CG1 4.41Å; L123-I330 HydrophobicContact CD2-CB 3.98Å; L123-I330 HydrophobicContact CD2-CD1 4.41Å; L123-I340 HydrophobicContact CD1-CD1 3.94Å
124	G	79.6	Confident	86.1	Confident	10 Å²	10	42.4 Å²	42.4	10%	0.103	21%	0.21	C	C	.	.	H	α-helix	trans	-47.9	-54.1	173.2	0	0	0	0	0	113.8	T122 D128	T122-G124 PolarHBondContact O-N 3.38Å; G124-D128 VanDerWaalsContact O-CB 3.29Å; G124-D128 WeakPolarHBondContact O-CB 3.26Å; G124-D128 PolarHBondContact O-N 3.26Å; G124-D128 VanDerWaalsContact O-N 3.12Å
125	Q	84	Confident	85.9	Confident	101 Å²	101	40.5 Å²	40.5	47%	0.472	20%	0.204	S	C	.	.	H	α-helix	trans	-66.8	-42.4	-179.9	-72.4	167.7	-16.5	0	0	112	A120 L121 T122 L123 D128 E129	A120-Q125 HydrophobicContact CB-CB 3.69Å; L121-Q125 VanDerWaalsContact N-OE1 3.13Å; T122-Q125 PolarHBondContact O-N 2.97Å; T122-Q125 VanDerWaalsContact OG1-CG 3.3Å; T122-Q125 WeakPolarHBondContact OG1-CG 3.4Å; T122-Q125 PolarHBondContact OG1-N 2.99Å; T122-Q125 PolarHBondContact OG1-OE1 2.91Å; L123-Q125 PolarHBondContact O-N 3.39Å; Q125-D128 PolarHBondContact O-N 3.15Å; Q125-E129 PolarHBondContact O-N 3.19Å; Q125-E129 VanDerWaalsContact O-N 3.13Å
126	A	85.2	Confident	85.7	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.6	-43.4	-178.5	0	0	0	0	0	112.4	A120 T122 L123 L319 L321 I325	A120-A126 HydrophobicContact CB-CB 3.85Å; T122-A126 PolarHBondContact O-N 2.92Å; L123-A126 PolarHBondContact O-N 3.03Å; A126-L319 HydrophobicContact CB-CD1 4.25Å; A126-L321 HydrophobicContact CB-CD2 4.43Å; A126-I325 HydrophobicContact CB-CD1 4.09Å
127	L	86.7	Confident	85.4	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-73.9	-31.2	178	-64.9	178.2	0	0	0	112.6	L123 E129 V130 A131 L153 F154 I342	L123-L127 HydrophobicContact CD1-CD1 3.91Å; L123-L127 HydrophobicContact CD1-CD2 4.41Å; L123-L127 HydrophobicContact CD1-CG 3.9Å; L123-L127 HydrophobicContact CD2-CD1 4.18Å; L123-L127 HydrophobicContact CG-CD1 3.77Å; L123-L127 HydrophobicContact CG-CG 4.14Å; L123-L127 WeakPolarHBondContact O-CG 3.27Å; L123-L127 PolarHBondContact O-N 3.16Å; L127-E129 VanDerWaalsContact C-N 3.31Å; L127-E129 PolarHBondContact O-N 2.98Å; L127-V130 WeakPolarHBondContact O-CB 3.19Å; L127-V130 PolarHBondContact O-N 3.48Å; L127-A131 PolarHBondContact O-N 3.37Å; L127-L153 HydrophobicContact CB-CB 4.46Å; L127-L153 HydrophobicContact CD1-CB 4.28Å; L127-F154 HydrophobicContact CB-CE1 4.32Å; L127-F154 HydrophobicContact CB-CZ 3.95Å; L127-F154 HydrophobicContact CD1-CD1 4.14Å; L127-F154 HydrophobicContact CD1-CE1 3.85Å; L127-F154 HydrophobicContact CD1-CZ 4.29Å; L127-I342 HydrophobicContact CD2-CD1 4.05Å
128	D	86.2	Confident	85.2	Confident	25 Å²	25	48 Å²	48	13%	0.134	25%	0.25	C	C	.	.	H	α-helix	trans	-66.4	-33.3	175.3	-163.7	57.6	0	0	0	111.6	G124 Q125 V130 A131 K132 Y146 R150	G124-D128 VanDerWaalsContact O-CB 3.29Å; G124-D128 WeakPolarHBondContact O-CB 3.26Å; G124-D128 PolarHBondContact O-N 3.26Å; G124-D128 VanDerWaalsContact O-N 3.12Å; Q125-D128 PolarHBondContact O-N 3.15Å; D128-V130 VanDerWaalsContact C-N 3.33Å; D128-V130 PolarHBondContact O-N 3.14Å; D128-A131 PolarHBondContact O-N 3.43Å; D128-K132 WeakPolarHBondContact O-CB 3.26Å; D128-K132 VanDerWaalsContact O-CG 3.29Å; D128-K132 WeakPolarHBondContact O-CG 3.45Å; D128-K132 PolarHBondContact O-N 2.9Å; D128-K132 WeakPolarHBondContact OD2-CE 3.42Å; D128-K132 IonicContact OD2-NZ 2.71Å; D128-K132 PolarHBondContact OD2-NZ 3.24Å; D128-Y146 PolarHBondContact OD1-OH 3.37Å; D128-R150 IonicContact OD1-CZ 3.9Å; D128-R150 IonicContact OD1-NE 3.4Å; D128-R150 PolarHBondContact OD1-NE 3.12Å
129	E	87.7	Confident	85	Confident	64 Å²	64	48.1 Å²	48.1	30%	0.299	25%	0.251	S	S	.	.	H	α-helix	trans	-63.7	-36.4	170.8	-74.8	-177.1	-165.1	0	0	112.8	T118 Q125 L127 K132 Y133	T118-E129 WeakPolarHBondContact CB-OE2 3.49Å; T118-E129 PolarHBondContact OG1-OE1 3.34Å; T118-E129 PolarHBondContact OG1-OE2 3.42Å; Q125-E129 PolarHBondContact O-N 3.19Å; Q125-E129 VanDerWaalsContact O-N 3.13Å; L127-E129 VanDerWaalsContact C-N 3.31Å; L127-E129 PolarHBondContact O-N 2.98Å; E129-K132 PolarHBondContact O-N 3.31Å; E129-Y133 WeakPolarHBondContact O-CB 3.4Å; E129-Y133 PolarHBondContact O-N 3.18Å
130	V	88.9	Confident	84.9	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-67.7	-43.3	175.4	-179.2	0	0	0	0	110.7	L127 D128 Y133 A134 L153 I315 V317 L319 I342	L127-V130 WeakPolarHBondContact O-CB 3.19Å; L127-V130 PolarHBondContact O-N 3.48Å; D128-V130 VanDerWaalsContact C-N 3.33Å; D128-V130 PolarHBondContact O-N 3.14Å; V130-Y133 WeakPolarHBondContact O-CB 3.49Å; V130-Y133 PolarHBondContact O-N 3.42Å; V130-A134 WeakPolarHBondContact O-CB 3.35Å; V130-A134 PolarHBondContact O-N 3.23Å; V130-L153 HydrophobicContact CB-CD1 4.5Å; V130-L153 HydrophobicContact CG1-CD1 4.45Å; V130-I315 HydrophobicContact CG1-CG2 4.21Å; V130-V317 HydrophobicContact CG1-CG2 4.45Å; V130-V317 HydrophobicContact CG2-CG1 4.33Å; V130-L319 HydrophobicContact CG2-CD1 3.64Å; V130-L319 HydrophobicContact CG2-CD2 3.74Å; V130-L319 HydrophobicContact CG2-CG 3.91Å; V130-I342 HydrophobicContact CB-CD1 4.33Å; V130-I342 HydrophobicContact CG1-CD1 3.97Å; V130-I342 HydrophobicContact CG2-CD1 3.75Å
131	A	86.7	Confident	84.5	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.8	-41.2	175.8	0	0	0	0	0	111.7	L127 D128 A134 L135 Y146 L149	L127-A131 PolarHBondContact O-N 3.37Å; D128-A131 PolarHBondContact O-N 3.43Å; A131-A134 PolarHBondContact O-N 3.17Å; A131-L135 PolarHBondContact O-N 3.39Å; A131-Y146 HydrophobicContact CB-CD2 4.1Å; A131-Y146 HydrophobicContact CB-CE2 3.67Å; A131-L149 HydrophobicContact CB-CD2 4.43Å
132	K	88.4	Confident	84.1	Confident	109 Å²	109	45.4 Å²	45.4	47%	0.474	24%	0.239	S	C	.	.	H	α-helix	trans	-64.1	-40.5	173.4	-73.9	169.6	-171.5	156.8	0	112.2	D128 E129 L135 S136 Y146	D128-K132 WeakPolarHBondContact O-CB 3.26Å; D128-K132 VanDerWaalsContact O-CG 3.29Å; D128-K132 WeakPolarHBondContact O-CG 3.45Å; D128-K132 PolarHBondContact O-N 2.9Å; D128-K132 WeakPolarHBondContact OD2-CE 3.42Å; D128-K132 IonicContact OD2-NZ 2.71Å; D128-K132 PolarHBondContact OD2-NZ 3.24Å; E129-K132 PolarHBondContact O-N 3.31Å; K132-L135 PolarHBondContact O-N 2.98Å; K132-S136 WeakPolarHBondContact O-CB 3.41Å; K132-S136 PolarHBondContact O-N 3.15Å; K132-Y146 HydrophobicContact CG-CE2 4.12Å
133	Y	89.7	Confident	83.8	Confident	37 Å²	37	48.4 Å²	48.4	15%	0.145	25%	0.252	C	S	.	.	H	α-helix	trans	-61.6	-46.2	174.8	169.2	-103.3	0	0	0	111.2	K114 I116 E129 V130 L135 S136 Q137 V317	K114-Y133 HydrophobicContact CB-CE1 4.09Å; K114-Y133 HydrophobicContact CB-CE2 3.89Å; K114-Y133 WeakPolarHBondContact CB-OH 2.84Å; K114-Y133 HydrophobicContact CD-CE2 4.04Å; K114-Y133 HydrophobicContact CG-CD2 4.13Å; K114-Y133 HydrophobicContact CG-CE1 4.49Å; K114-Y133 HydrophobicContact CG-CE2 3.56Å; I116-Y133 HydrophobicContact CD1-CG 4.11Å; E129-Y133 WeakPolarHBondContact O-CB 3.4Å; E129-Y133 PolarHBondContact O-N 3.18Å; V130-Y133 WeakPolarHBondContact O-CB 3.49Å; V130-Y133 PolarHBondContact O-N 3.42Å; Y133-L135 VanDerWaalsContact C-N 3.29Å; Y133-L135 PolarHBondContact O-N 3.19Å; Y133-S136 WeakPolarHBondContact CA-OG 3.17Å; Y133-S136 PolarHBondContact O-N 3.31Å; Y133-S136 PolarHBondContact O-OG 2.76Å; Y133-Q137 HydrophobicContact CD2-CG 3.87Å; Y133-Q137 HydrophobicContact CE1-CG 4.19Å; Y133-Q137 HydrophobicContact CE2-CG 3.3Å; Y133-Q137 VanDerWaalsContact CZ-CG 3.49Å; Y133-Q137 PolarHBondContact O-N 3.41Å; Y133-V317 HydrophobicContact CD1-CG2 3.52Å; Y133-V317 HydrophobicContact CE1-CG2 3.52Å
134	A	87	Confident	83.3	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-59.9	-38.2	177.1	0	0	0	0	0	112.7	V130 A131 C139 I140 L149 I315	V130-A134 WeakPolarHBondContact O-CB 3.35Å; V130-A134 PolarHBondContact O-N 3.23Å; A131-A134 PolarHBondContact O-N 3.17Å; A134-C139 HydrophobicContact CB-CB 4.34Å; A134-C139 WeakPolarHBondContact O-CB 3.3Å; A134-C139 PolarHBondContact O-N 2.84Å; A134-C139 VanDerWaalsContact O-N 3.08Å; A134-I140 HydrophobicContact CB-CD1 3.8Å; A134-I140 HydrophobicContact CB-CG1 4.29Å; A134-L149 HydrophobicContact CB-CD2 3.84Å; A134-I315 HydrophobicContact CB-CD1 3.54Å; A134-I315 HydrophobicContact CB-CG1 4.16Å
135	L	86.5	Confident	83.2	Confident	60 Å²	60	56 Å²	56	31%	0.314	29%	0.285	S	S	.	.	H	α-helix	trans	-66.5	-42.1	172.6	-171	68.2	0	0	0	111.6	A131 K132 Y133 Q137 N138 Y146	A131-L135 PolarHBondContact O-N 3.39Å; K132-L135 PolarHBondContact O-N 2.98Å; Y133-L135 VanDerWaalsContact C-N 3.29Å; Y133-L135 PolarHBondContact O-N 3.19Å; L135-Q137 VanDerWaalsContact C-N 3.31Å; L135-Q137 PolarHBondContact O-N 3.25Å; L135-N138 PolarHBondContact O-N 3.19Å; L135-Y146 HydrophobicContact CB-CD2 4.3Å; L135-Y146 HydrophobicContact CD2-CD2 4.2Å
136	S	86	Confident	83.1	Confident	72 Å²	72	52.7 Å²	52.7	50%	0.503	27%	0.268	S	S	.	.	H	α-helix	trans	-66.5	-29.5	-178.9	78.2	0	0	0	0	114	K132 Y133	K132-S136 WeakPolarHBondContact O-CB 3.41Å; K132-S136 PolarHBondContact O-N 3.15Å; Y133-S136 WeakPolarHBondContact CA-OG 3.17Å; Y133-S136 PolarHBondContact O-N 3.31Å; Y133-S136 PolarHBondContact O-OG 2.76Å
137	Q	83.3	Confident	82.7	Confident	107 Å²	107	55.4 Å²	55.4	50%	0.5	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	8.9	-179.2	-64.4	-56.7	-61.3	0	0	113.2	Y133 L135 C139	Y133-Q137 HydrophobicContact CD2-CG 3.87Å; Y133-Q137 HydrophobicContact CE1-CG 4.19Å; Y133-Q137 HydrophobicContact CE2-CG 3.3Å; Y133-Q137 VanDerWaalsContact CZ-CG 3.49Å; Y133-Q137 PolarHBondContact O-N 3.41Å; L135-Q137 VanDerWaalsContact C-N 3.31Å; L135-Q137 PolarHBondContact O-N 3.25Å; Q137-C139 PolarHBondContact O-N 2.76Å; Q137-C139 VanDerWaalsContact O-N 3.15Å
138	N	84.7	Confident	82.4	Confident	120 Å²	120	55.5 Å²	55.5	64%	0.642	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	26.1	-175	-62.2	-51.5	0	0	0	114.1	L135 I140	L135-N138 PolarHBondContact O-N 3.19Å; N138-I140 PolarHBondContact O-N 3.45Å
139	C	82.5	Confident	82.3	Confident	5 Å²	5	54.3 Å²	54.3	3%	0.034	28%	0.277	C	S	.	.	S	Bend	trans	-64.6	-22.2	169.9	-54.1	0	0	0	0	110.9	A134 Q137 K312 S313 I315	A134-C139 HydrophobicContact CB-CB 4.34Å; A134-C139 WeakPolarHBondContact O-CB 3.3Å; A134-C139 PolarHBondContact O-N 2.84Å; A134-C139 VanDerWaalsContact O-N 3.08Å; Q137-C139 PolarHBondContact O-N 2.76Å; Q137-C139 VanDerWaalsContact O-N 3.15Å; C139-K312 PolarHBondContact O-N 3.15Å; C139-S313 PolarHBondContact SG-OG 2.92Å; C139-I315 HydrophobicContact CB-CD1 4.48Å; C139-I315 HydrophobicContact CB-CG1 4.12Å
140	I	83	Confident	82.1	Confident	5 Å²	5	54.1 Å²	54.1	3%	0.026	27%	0.273	C	S	.	.	S	Bend	trans	-127	141.3	-174.3	-62.9	-177.6	0	0	0	109.1	A134 N138 Q145 L149 L311	A134-I140 HydrophobicContact CB-CD1 3.8Å; A134-I140 HydrophobicContact CB-CG1 4.29Å; N138-I140 PolarHBondContact O-N 3.45Å; I140-Q145 HydrophobicContact CG2-CB 3.21Å; I140-Q145 HydrophobicContact CG2-CG 4.27Å; I140-Q145 VanDerWaalsContact CG2-OE1 3.3Å; I140-L149 HydrophobicContact CD1-CB 3.9Å; I140-L149 HydrophobicContact CD1-CD2 3.42Å; I140-L149 VanDerWaalsContact CD1-CD2 3.42Å; I140-L149 HydrophobicContact CD1-CG 4.22Å; I140-L311 HydrophobicContact CD1-CD2 4.09Å; I140-L311 HydrophobicContact CG1-CD2 3.66Å
141	Q	74	Confident	81.5	Confident	133 Å²	133	54.1 Å²	54.1	62%	0.621	27%	0.274	S	S	*	.	S	Bend	trans	-90.1	-15.5	-172.3	-54.8	-163.8	33.9	0	0	115.2	K312	Q141-K312 HydrophobicContact CG-CD 4.18Å; Q141-K312 HydrophobicContact CG-CG 4.45Å
142	G	72.7	Confident	81.3	Confident	28 Å²	28	54.2 Å²	54.2	29%	0.289	27%	0.274	S	S	.	.	S	Bend	trans	-171.5	172.1	-178	0	0	0	0	0	115	E144 Q145 Y146	G142-E144 VanDerWaalsContact C-N 3.27Å; G142-E144 PolarHBondContact O-N 3.27Å; G142-Q145 PolarHBondContact O-N 3.2Å; G142-Y146 PolarHBondContact O-N 2.85Å
143	N	74.4	Confident	81.1	Confident	116 Å²	116	49.1 Å²	49.1	62%	0.62	25%	0.252	S	S	*	.	H	α-helix	trans	-60.8	-30.9	-178.9	-81.5	-6.2	0	0	0	113.6	Q145 Y146 D147	N143-Q145 VanDerWaalsContact C-N 3.34Å; N143-Q145 PolarHBondContact O-N 2.92Å; N143-Y146 VanDerWaalsContact O-CB 3.32Å; N143-Y146 WeakPolarHBondContact O-CB 3.25Å; N143-Y146 PolarHBondContact O-N 2.84Å; N143-D147 PolarHBondContact O-N 2.99Å; N143-D147 VanDerWaalsContact O-N 3.11Å
144	E	72.6	Confident	80.7	Confident	148 Å²	148	48 Å²	48	69%	0.692	25%	0.248	S	C	*	.	H	α-helix	trans	-62.1	-44.3	176.5	-63.7	-175.3	171.3	0	0	111.4	G142 Y146 D147 V148	G142-E144 VanDerWaalsContact C-N 3.27Å; G142-E144 PolarHBondContact O-N 3.27Å; E144-Y146 VanDerWaalsContact C-N 3.3Å; E144-Y146 PolarHBondContact O-N 2.95Å; E144-D147 PolarHBondContact O-N 3.08Å; E144-V148 VanDerWaalsContact O-CG2 3.28Å; E144-V148 WeakPolarHBondContact O-CG2 3.38Å; E144-V148 PolarHBondContact O-N 2.93Å; E144-V148 VanDerWaalsContact O-N 3.11Å
145	Q	76.7	Confident	80.1	Confident	46 Å²	46	48 Å²	48	22%	0.215	25%	0.248	C	C	.	.	H	α-helix	trans	-71.1	-26.2	177.1	-66.9	-178.9	-14.9	0	0	112.2	I140 G142 N143 V148 L149 F310	I140-Q145 HydrophobicContact CG2-CB 3.21Å; I140-Q145 HydrophobicContact CG2-CG 4.27Å; I140-Q145 VanDerWaalsContact CG2-OE1 3.3Å; G142-Q145 PolarHBondContact O-N 3.2Å; N143-Q145 VanDerWaalsContact C-N 3.34Å; N143-Q145 PolarHBondContact O-N 2.92Å; Q145-V148 PolarHBondContact O-N 3.4Å; Q145-L149 WeakPolarHBondContact O-CB 3.44Å; Q145-L149 PolarHBondContact O-N 2.99Å; Q145-F310 HydrophobicContact CB-CD2 4.34Å; Q145-F310 HydrophobicContact CB-CE2 4.28Å; Q145-F310 HydrophobicContact CG-CD2 4.32Å
146	Y	81.8	Confident	79.4	Confident	31 Å²	31	47.7 Å²	47.7	12%	0.122	25%	0.245	C	C	.	.	H	α-helix	trans	-61.8	-49.3	170.5	172.4	-88.2	0	0	0	111	D128 A131 K132 L135 G142 N143 E144 V148 L149 R150	D128-Y146 PolarHBondContact OD1-OH 3.37Å; A131-Y146 HydrophobicContact CB-CD2 4.1Å; A131-Y146 HydrophobicContact CB-CE2 3.67Å; K132-Y146 HydrophobicContact CG-CE2 4.12Å; L135-Y146 HydrophobicContact CB-CD2 4.3Å; L135-Y146 HydrophobicContact CD2-CD2 4.2Å; G142-Y146 PolarHBondContact O-N 2.85Å; N143-Y146 VanDerWaalsContact O-CB 3.32Å; N143-Y146 WeakPolarHBondContact O-CB 3.25Å; N143-Y146 PolarHBondContact O-N 2.84Å; E144-Y146 VanDerWaalsContact C-N 3.3Å; E144-Y146 PolarHBondContact O-N 2.95Å; Y146-V148 VanDerWaalsContact C-N 3.28Å; Y146-V148 PolarHBondContact O-N 3.01Å; Y146-L149 PolarHBondContact O-N 2.86Å; Y146-R150 VanDerWaalsContact O-CB 3.25Å; Y146-R150 WeakPolarHBondContact O-CB 3.36Å; Y146-R150 PolarHBondContact O-N 3.07Å
147	D	78.2	Confident	79	Confident	57 Å²	57	45.5 Å²	45.5	31%	0.305	23%	0.226	S	C	.	.	H	α-helix	trans	-64.7	-35.7	179	-73.3	-32.4	0	0	0	111.8	P60 N143 E144 A151 L269	P60-D147 HydrophobicContact CB-CB 4.02Å; P60-D147 HydrophobicContact CG-CB 3.57Å; N143-D147 PolarHBondContact O-N 2.99Å; N143-D147 VanDerWaalsContact O-N 3.11Å; E144-D147 PolarHBondContact O-N 3.08Å; D147-A151 VanDerWaalsContact O-CB 3.29Å; D147-A151 WeakPolarHBondContact O-CB 3.34Å; D147-A151 PolarHBondContact O-N 3.26Å; D147-L269 HydrophobicContact CB-CD2 4.29Å
148	V	79.1	Confident	78.6	Confident	3 Å²	3	44.2 Å²	44.2	2%	0.018	22%	0.216	C	C	.	.	H	α-helix	trans	-66.4	-49.4	174.1	170.5	0	0	0	0	112	F57 P60 A63 E144 Q145 Y146 R150 A151 I152 F310	F57-V148 HydrophobicContact CB-CG1 4.11Å; F57-V148 HydrophobicContact CB-CG2 4.18Å; F57-V148 HydrophobicContact CD1-CG1 3.26Å; F57-V148 HydrophobicContact CE1-CG1 3.92Å; F57-V148 HydrophobicContact CG-CG1 3.97Å; F57-V148 WeakPolarHBondContact O-CG2 3.47Å; P60-V148 HydrophobicContact CB-CG2 4.26Å; P60-V148 HydrophobicContact CG-CG2 4.4Å; A63-V148 HydrophobicContact CB-CG1 4Å; E144-V148 VanDerWaalsContact O-CG2 3.28Å; E144-V148 WeakPolarHBondContact O-CG2 3.38Å; E144-V148 PolarHBondContact O-N 2.93Å; E144-V148 VanDerWaalsContact O-N 3.11Å; Q145-V148 PolarHBondContact O-N 3.4Å; Y146-V148 VanDerWaalsContact C-N 3.28Å; Y146-V148 PolarHBondContact O-N 3.01Å; V148-R150 VanDerWaalsContact C-N 3.25Å; V148-R150 PolarHBondContact O-N 2.9Å; V148-A151 WeakPolarHBondContact O-CB 3.27Å; V148-A151 PolarHBondContact O-N 3.45Å; V148-A151 VanDerWaalsContact O-N 3.15Å; V148-I152 HydrophobicContact CG1-CD1 3.93Å; V148-I152 WeakPolarHBondContact O-CG1 3.3Å; V148-I152 PolarHBondContact O-N 3.25Å; V148-F310 HydrophobicContact CB-CZ 4.49Å; V148-F310 HydrophobicContact CG1-CD1 4.39Å; V148-F310 HydrophobicContact CG1-CE1 3.51Å; V148-F310 HydrophobicContact CG1-CZ 3.82Å
149	L	83.8	Confident	78.1	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59	-44.1	177.2	176.3	65.6	0	0	0	109.8	A131 A134 I140 Q145 Y146 A151 I152 L153 I308 F310 I315 I344	A131-L149 HydrophobicContact CB-CD2 4.43Å; A134-L149 HydrophobicContact CB-CD2 3.84Å; I140-L149 HydrophobicContact CD1-CB 3.9Å; I140-L149 HydrophobicContact CD1-CD2 3.42Å; I140-L149 VanDerWaalsContact CD1-CD2 3.42Å; I140-L149 HydrophobicContact CD1-CG 4.22Å; Q145-L149 WeakPolarHBondContact O-CB 3.44Å; Q145-L149 PolarHBondContact O-N 2.99Å; Y146-L149 PolarHBondContact O-N 2.86Å; L149-A151 VanDerWaalsContact C-N 3.33Å; L149-A151 PolarHBondContact O-N 2.98Å; L149-I152 PolarHBondContact O-N 3.38Å; L149-I152 VanDerWaalsContact O-N 3.17Å; L149-L153 HydrophobicContact CD1-CD1 4.4Å; L149-L153 HydrophobicContact CD1-CG 4.21Å; L149-L153 HydrophobicContact CD2-CD1 4.38Å; L149-L153 HydrophobicContact CG-CD1 4.05Å; L149-L153 HydrophobicContact CG-CG 4.29Å; L149-L153 WeakPolarHBondContact O-CG 3.27Å; L149-L153 PolarHBondContact O-N 3.3Å; L149-I308 HydrophobicContact CD1-CD1 3.99Å; L149-F310 HydrophobicContact CB-CE2 4.49Å; L149-F310 HydrophobicContact CB-CZ 4.21Å; L149-I315 HydrophobicContact CD2-CD1 3.95Å; L149-I344 HydrophobicContact CD1-CD1 3.91Å
150	R	83.5	Confident	77.5	Confident	59 Å²	59	40.4 Å²	40.4	22%	0.223	20%	0.197	C	C	.	.	H	α-helix	trans	-56.5	-49.5	175.7	-168.9	177.3	178.9	-150.4	-1.2	110.4	D128 Y146 V148 I152 L153 F154	D128-R150 IonicContact OD1-CZ 3.9Å; D128-R150 IonicContact OD1-NE 3.4Å; D128-R150 PolarHBondContact OD1-NE 3.12Å; Y146-R150 VanDerWaalsContact O-CB 3.25Å; Y146-R150 WeakPolarHBondContact O-CB 3.36Å; Y146-R150 PolarHBondContact O-N 3.07Å; V148-R150 VanDerWaalsContact C-N 3.25Å; V148-R150 PolarHBondContact O-N 2.9Å; R150-I152 VanDerWaalsContact C-N 3.3Å; R150-I152 PolarHBondContact O-N 3.18Å; R150-L153 PolarHBondContact O-N 3.08Å; R150-F154 HydrophobicContact CG-CD2 3.74Å; R150-F154 HydrophobicContact CG-CE2 3.57Å; R150-F154 WeakPolarHBondContact O-CD2 3.47Å; R150-F154 PolarHBondContact O-N 3.36Å
151	A	76.5	Confident	76.8	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.008	21%	0.213	C	C	.	.	H	α-helix	trans	-58.5	-36.9	176.8	0	0	0	0	0	113.7	P60 H64 D147 V148 L149 F154 A155	P60-A151 HydrophobicContact CB-CB 4.02Å; P60-A151 WeakPolarHBondContact O-CB 3.35Å; H64-A151 HydrophobicContact CB-CB 4.16Å; H64-A151 PolarHBondContact ND1-O 2.9Å; D147-A151 VanDerWaalsContact O-CB 3.29Å; D147-A151 WeakPolarHBondContact O-CB 3.34Å; D147-A151 PolarHBondContact O-N 3.26Å; V148-A151 WeakPolarHBondContact O-CB 3.27Å; V148-A151 PolarHBondContact O-N 3.45Å; V148-A151 VanDerWaalsContact O-N 3.15Å; L149-A151 VanDerWaalsContact C-N 3.33Å; L149-A151 PolarHBondContact O-N 2.98Å; A151-F154 CarbonylContact O-C 3.6Å; A151-A155 PolarHBondContact O-N 3.25Å; A151-A155 VanDerWaalsContact O-N 3.17Å
152	I	82.4	Confident	76.2	Confident	2 Å²	2	38 Å²	38	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-70.7	-45.6	176.1	-66.9	166.8	0	0	0	111.6	L42 F57 A63 V67 W69 V148 L149 R150 F154 A155 I308 F310	L42-I152 HydrophobicContact CD1-CG2 3.99Å; L42-I152 HydrophobicContact CD2-CG2 3.93Å; F57-I152 HydrophobicContact CE1-CD1 3.97Å; A63-I152 HydrophobicContact CB-CG1 4.41Å; V67-I152 HydrophobicContact CG2-CG1 4.34Å; V67-I152 HydrophobicContact CG2-CG2 4.31Å; W69-I152 HydrophobicContact CZ2-CG2 4.27Å; W69-I152 PolarHBondContact NE1-O 3.42Å; V148-I152 HydrophobicContact CG1-CD1 3.93Å; V148-I152 WeakPolarHBondContact O-CG1 3.3Å; V148-I152 PolarHBondContact O-N 3.25Å; L149-I152 PolarHBondContact O-N 3.38Å; L149-I152 VanDerWaalsContact O-N 3.17Å; R150-I152 VanDerWaalsContact C-N 3.3Å; R150-I152 PolarHBondContact O-N 3.18Å; I152-F154 PolarHBondContact O-N 3.13Å; I152-A155 WeakPolarHBondContact O-CB 3.45Å; I152-A155 PolarHBondContact O-N 2.85Å; I152-I308 HydrophobicContact CD1-CD1 4.45Å; I152-I308 HydrophobicContact CD1-CG2 4.46Å; I152-I308 HydrophobicContact CG2-CD1 4.07Å; I152-F310 HydrophobicContact CD1-CE1 3.8Å; I152-F310 HydrophobicContact CD1-CZ 4.14Å
153	L	84.9	Confident	75	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-61.1	-32.1	176.9	-69.8	175.1	0	0	0	111.7	L127 V130 L149 R150 R157 I344	L127-L153 HydrophobicContact CB-CB 4.46Å; L127-L153 HydrophobicContact CD1-CB 4.28Å; V130-L153 HydrophobicContact CB-CD1 4.5Å; V130-L153 HydrophobicContact CG1-CD1 4.45Å; L149-L153 HydrophobicContact CD1-CD1 4.4Å; L149-L153 HydrophobicContact CD1-CG 4.21Å; L149-L153 HydrophobicContact CD2-CD1 4.38Å; L149-L153 HydrophobicContact CG-CD1 4.05Å; L149-L153 HydrophobicContact CG-CG 4.29Å; L149-L153 WeakPolarHBondContact O-CG 3.27Å; L149-L153 PolarHBondContact O-N 3.3Å; R150-L153 PolarHBondContact O-N 3.08Å; L153-R157 PolarHBondContact O-NH2 2.96Å; L153-I344 HydrophobicContact CD2-CD1 4.18Å
154	F	80.5	Confident	73.7	Confident	12 Å²	12	41.4 Å²	41.4	5%	0.053	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-0	174.1	-73.3	-62	0	0	0	114.8	H64 L127 R150 A151 I152 L273 H276	H64-F154 PolarHBondContact CE1-O 3.1Å; H64-F154 VanDerWaalsContact CE1-O 3.24Å; L127-F154 HydrophobicContact CB-CE1 4.32Å; L127-F154 HydrophobicContact CB-CZ 3.95Å; L127-F154 HydrophobicContact CD1-CD1 4.14Å; L127-F154 HydrophobicContact CD1-CE1 3.85Å; L127-F154 HydrophobicContact CD1-CZ 4.29Å; R150-F154 HydrophobicContact CG-CD2 3.74Å; R150-F154 HydrophobicContact CG-CE2 3.57Å; R150-F154 WeakPolarHBondContact O-CD2 3.47Å; R150-F154 PolarHBondContact O-N 3.36Å; A151-F154 CarbonylContact O-C 3.6Å; I152-F154 PolarHBondContact O-N 3.13Å; F154-L273 HydrophobicContact CB-CD2 3.85Å; F154-L273 HydrophobicContact CD2-CD2 3.74Å; F154-L273 HydrophobicContact CG-CD2 3.94Å; F154-H276 PolarHBondContact O-CD2 3.4Å; F154-H276 PolarHBondContact O-NE2 3.07Å
155	A	75.4	Confident	72.4	Confident	0 Å²	0	37 Å²	37	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	-56.4	157.6	179.9	0	0	0	0	0	113.2	V67 A151 I152 R157	V67-A155 HydrophobicContact CG2-CB 3.64Å; A151-A155 PolarHBondContact O-N 3.25Å; A151-A155 VanDerWaalsContact O-N 3.17Å; I152-A155 WeakPolarHBondContact O-CB 3.45Å; I152-A155 PolarHBondContact O-N 2.85Å; A155-R157 PolarHBondContact O-NH1 2.82Å
156	E	70.7	Confident	70.7	Confident	54 Å²	54	36.8 Å²	36.8	25%	0.252	17%	0.174	S	C	.	.	P	Polyproline II helix	trans	-60.2	139.7	-180	-169.2	-179.8	169.7	0	0	111.3	R45 L68 W69 H165	R45-E156 IonicContact CZ-OE2 3.69Å; R45-E156 IonicContact NH1-OE2 3.85Å; R45-E156 IonicContact NH2-OE2 3.15Å; R45-E156 PolarHBondContact NH2-OE2 3.32Å; L68-E156 WeakPolarHBondContact CA-O 3.41Å; W69-E156 PolarHBondContact N-O 2.92Å; E156-H165 IonicContact OE1-CE1 2.72Å; E156-H165 IonicContact OE1-ND1 3.54Å; E156-H165 PolarHBondContact OE1-ND1 2.85Å
157	R	77.5	Confident	68.7	Low	27 Å²	27	39.6 Å²	39.6	10%	0.102	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	131.7	175.3	-72.5	159.4	-176.6	74.8	2.7	109.5	W69 L153 A155 C329	W69-R157 HydrophobicContact CB-CB 4.47Å; W69-R157 HydrophobicContact CB-CG 3.74Å; W69-R157 HydrophobicContact CG-CG 4.33Å; W69-R157 CarbonylContact O-C 3.54Å; W69-R157 WeakPolarHBondContact O-CA 3.09Å; L153-R157 PolarHBondContact O-NH2 2.96Å; A155-R157 PolarHBondContact O-NH1 2.82Å; R157-C329 WeakPolarHBondContact CD-O 3.26Å
158	W	75.4	Confident	66.8	Low	79 Å²	79	41.7 Å²	41.7	30%	0.299	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	119.4	179.7	-171.4	86.3	0	0	0	110.2	L68 W69 L70 E71 F82 P160	L68-W158 HydrophobicContact CD1-CB 4.29Å; W69-W158 PolarHBondContact O-N 3.12Å; L70-W158 HydrophobicContact CD1-CD2 4.33Å; L70-W158 HydrophobicContact CD1-CE3 3.18Å; L70-W158 HydrophobicContact CD1-CZ3 3.43Å; L70-W158 VanDerWaalsContact CD1-CZ3 3.43Å; E71-W158 PolarHBondContact N-O 3.03Å; F82-W158 HydrophobicContact CE1-CH2 4.48Å; F82-W158 HydrophobicContact CE1-CZ3 4.11Å; F82-W158 HydrophobicContact CZ-CH2 4.12Å; F82-W158 HydrophobicContact CZ-CZ3 4.09Å; W158-P160 HydrophobicContact CE3-CB 4.4Å; W158-P160 HydrophobicContact CE3-CG 4.14Å; W158-P160 HydrophobicContact CH2-CB 3.65Å; W158-P160 HydrophobicContact CH2-CG 4.13Å; W158-P160 HydrophobicContact CZ3-CB 3.58Å; W158-P160 HydrophobicContact CZ3-CG 3.52Å
159	H	75.2	Confident	64.9	Low	13 Å²	13	44 Å²	44	6%	0.06	23%	0.229	C	C	.	.			trans	-113	119.2	177.5	-57.2	-79.8	0	0	0	109.7	E38 Q40 E71 E161 V162 E332	E38-H159 IonicContact OE1-CE1 3.36Å; E38-H159 PolarHBondContact OE1-CE1 3.36Å; E38-H159 IonicContact OE1-ND1 3.74Å; E38-H159 PolarHBondContact OE1-ND1 3.06Å; E38-H159 VanDerWaalsContact OE1-ND1 3.15Å; E38-H159 IonicContact OE2-CE1 3.56Å; Q40-H159 PolarHBondContact NE2-CE1 3.31Å; E71-H159 IonicContact OE2-CG 2.65Å; E71-H159 IonicContact OE2-ND1 3.2Å; E71-H159 PolarHBondContact OE2-ND1 3.43Å; H159-E161 VanDerWaalsContact C-N 3.34Å; H159-E161 PolarHBondContact O-N 3.47Å; H159-V162 HydrophobicContact CB-CB 4.23Å; H159-V162 HydrophobicContact CB-CG2 3.66Å; H159-V162 PolarHBondContact O-N 3.11Å; H159-E332 HydrophobicContact CB-CB 4.3Å; H159-E332 HydrophobicContact CB-CG 3.73Å; H159-E332 PolarHBondContact CE1-N 3.31Å; H159-E332 VanDerWaalsContact CE1-N 3.3Å; H159-E332 WeakPolarHBondContact ND1-CB 3.3Å
160	P	69.4	Low	63	Low	32 Å²	32	47.1 Å²	47.1	21%	0.208	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-31.8	-170.2	-6.3	5.2	0	0	0	115.5	F82 F89 W158	F82-P160 HydrophobicContact CD1-CG 4.22Å; F82-P160 HydrophobicContact CD2-CB 3.81Å; F82-P160 HydrophobicContact CD2-CG 3.36Å; F82-P160 HydrophobicContact CE1-CB 4.45Å; F82-P160 HydrophobicContact CE1-CG 4.11Å; F82-P160 HydrophobicContact CE2-CB 3.18Å; F82-P160 HydrophobicContact CE2-CG 3.26Å; F82-P160 HydrophobicContact CG-CG 3.87Å; F82-P160 HydrophobicContact CZ-CB 3.56Å; F82-P160 HydrophobicContact CZ-CG 3.65Å; F89-P160 HydrophobicContact CE2-CG 3.91Å; F89-P160 HydrophobicContact CZ-CG 4.21Å; W158-P160 HydrophobicContact CE3-CB 4.4Å; W158-P160 HydrophobicContact CE3-CG 4.14Å; W158-P160 HydrophobicContact CH2-CB 3.65Å; W158-P160 HydrophobicContact CH2-CG 4.13Å; W158-P160 HydrophobicContact CZ3-CB 3.58Å; W158-P160 HydrophobicContact CZ3-CG 3.52Å
161	E	67.8	Low	61.1	Low	78 Å²	78	49 Å²	49	36%	0.364	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-8.6	-175.3	-69.7	-175.7	164.6	0	0	113.9	R74 F89 H159 K163 E332	R74-E161 IonicContact CZ-OE2 2.7Å; R74-E161 IonicContact NH1-OE2 3.88Å; R74-E161 PolarHBondContact NH1-OE2 2.98Å; R74-E161 IonicContact NH2-OE1 3.14Å; R74-E161 PolarHBondContact NH2-OE1 3.47Å; R74-E161 IonicContact NH2-OE2 2.76Å; R74-E161 PolarHBondContact NH2-OE2 2.89Å; F89-E161 HydrophobicContact CD2-CG 4.08Å; F89-E161 HydrophobicContact CE2-CG 4.26Å; H159-E161 VanDerWaalsContact C-N 3.34Å; H159-E161 PolarHBondContact O-N 3.47Å; E161-K163 PolarHBondContact O-N 3.26Å; E161-E332 WeakPolarHBondContact CB-OE1 3.49Å
162	V	62.3	Low	59.7	Low	11 Å²	11	50.1 Å²	50.1	7%	0.067	27%	0.271	C	S	.	.			trans	-76.7	96.8	176.6	-179.1	0	0	0	0	110.2	H159 G164 R285 N287 E332	H159-V162 HydrophobicContact CB-CB 4.23Å; H159-V162 HydrophobicContact CB-CG2 3.66Å; H159-V162 PolarHBondContact O-N 3.11Å; V162-G164 PolarHBondContact O-N 2.9Å; V162-R285 HydrophobicContact CG1-CB 3.61Å; V162-R285 VanDerWaalsContact CG1-O 3.25Å; V162-R285 WeakPolarHBondContact CG1-O 3.48Å; V162-N287 HydrophobicContact CG2-CB 4.15Å; V162-E332 HydrophobicContact CG2-CG 3.44Å; V162-E332 VanDerWaalsContact CG2-CG 3.44Å; V162-E332 WeakPolarHBondContact CG2-OE1 3.16Å
163	K	48	Very low	57.9	Low	187 Å²	187	54.1 Å²	54.1	81%	0.813	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	103.2	174.7	-66.7	-174.8	-179.7	-179.6	0	111	E161 R285	E161-K163 PolarHBondContact O-N 3.26Å; K163-R285 PolarHBondContact O-NH1 2.79Å
164	G	45.6	Very low	56.1	Low	27 Å²	27	61.1 Å²	61.1	28%	0.278	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	161.4	-10.5	179.1	0	0	0	0	0	115.6	V162 I166	V162-G164 PolarHBondContact O-N 2.9Å; G164-I166 PolarHBondContact O-N 2.79Å
165	H	45.4	Very low	54.3	Low	55 Å²	55	63.8 Å²	63.8	26%	0.255	34%	0.336	S	S	.	.	S	Bend	trans	-81.1	104.4	167.9	-70.8	-86.3	0	0	0	109.5	E156 S167	E156-H165 IonicContact OE1-CE1 2.72Å; E156-H165 IonicContact OE1-ND1 3.54Å; E156-H165 PolarHBondContact OE1-ND1 2.85Å; H165-S167 PolarHBondContact O-N 3.15Å
166	I	41.9	Very low	52.8	Low	42 Å²	42	66.9 Å²	66.9	22%	0.215	35%	0.347	C	S	.	.			trans	28.6	75.6	167.8	-47.3	169.8	0	0	0	113.8	G164 E171 F172 Y175 F197	G164-I166 PolarHBondContact O-N 2.79Å; I166-E171 HydrophobicContact CG2-CB 4.47Å; I166-F172 HydrophobicContact CB-CD2 4.47Å; I166-F172 HydrophobicContact CD1-CD2 3.91Å; I166-F172 VanDerWaalsContact CG2-CA 3.44Å; I166-F172 HydrophobicContact CG2-CB 3.39Å; I166-F172 HydrophobicContact CG2-CD2 3.75Å; I166-F172 HydrophobicContact CG2-CG 4.05Å; I166-Y175 HydrophobicContact CD1-CD1 4.49Å; I166-F197 HydrophobicContact CG2-CD2 4.29Å; I166-F197 HydrophobicContact CG2-CE2 4.17Å; I166-F197 WeakPolarHBondContact O-CE2 3.47Å; I166-F197 WeakPolarHBondContact O-CZ 3.32Å
167	S	39	Very low	51.5	Low	90 Å²	90	68.4 Å²	68.4	63%	0.629	37%	0.369	S	S	*	.			trans	-88.8	-16.8	172.6	50.6	0	0	0	0	113.1	H165	H165-S167 PolarHBondContact O-N 3.15Å
168	D	37.8	Very low	49.8	Very low	101 Å²	101	70.4 Å²	70.4	54%	0.54	40%	0.398	S	S	.	.	S	Bend	trans	-106.6	129.5	178.7	-84.7	-30.5	0	0	0	111.4	A170 E171 F172	D168-A170 PolarHBondContact O-N 2.9Å; D168-A170 VanDerWaalsContact O-N 3.14Å; D168-E171 HydrophobicContact CB-CB 4.34Å; D168-E171 HydrophobicContact CB-CG 4.43Å; D168-E171 PolarHBondContact O-N 3.09Å; D168-F172 PolarHBondContact O-N 3.49Å
169	A	40.3	Very low	48.2	Very low	51 Å²	51	70.2 Å²	70.2	42%	0.421	41%	0.405	S	S	.	.	H	α-helix	trans	-56.7	-29.4	175.6	0	0	0	0	0	112.5	D173 F197	A169-D173 PolarHBondContact O-N 3.49Å; A169-F197 HydrophobicContact CB-CB 4.01Å; A169-F197 HydrophobicContact CB-CD1 4.4Å; A169-F197 HydrophobicContact CB-CG 4.41Å
170	A	43.4	Very low	46.6	Very low	67 Å²	67	72.7 Å²	72.7	55%	0.554	42%	0.419	S	S	*	.	H	α-helix	trans	-71.4	-36.4	176	0	0	0	0	0	113	D168 Q174	D168-A170 PolarHBondContact O-N 2.9Å; D168-A170 VanDerWaalsContact O-N 3.14Å; A170-Q174 WeakPolarHBondContact O-CB 3.47Å; A170-Q174 WeakPolarHBondContact O-CG 3.43Å; A170-Q174 PolarHBondContact O-N 3.02Å; A170-Q174 VanDerWaalsContact O-N 3.07Å
171	E	44.8	Very low	45.3	Very low	99 Å²	99	75.1 Å²	75.1	46%	0.463	44%	0.435	S	S	.	.	H	α-helix	trans	-71.9	-34.9	174.2	-82.3	-174	153.1	0	0	111.4	I166 D168 Y175	I166-E171 HydrophobicContact CG2-CB 4.47Å; D168-E171 HydrophobicContact CB-CB 4.34Å; D168-E171 HydrophobicContact CB-CG 4.43Å; D168-E171 PolarHBondContact O-N 3.09Å; E171-Y175 WeakPolarHBondContact O-CB 3.44Å; E171-Y175 PolarHBondContact O-N 3.38Å
172	F	45.3	Very low	43.8	Very low	23 Å²	23	81.2 Å²	81.2	10%	0.101	46%	0.463	C	S	.	.	H	α-helix	trans	-57.9	-54.8	173.2	-168.6	-93.7	0	0	0	110.6	I166 D168 Q174 Y175 W176 F197 F200	I166-F172 HydrophobicContact CB-CD2 4.47Å; I166-F172 HydrophobicContact CD1-CD2 3.91Å; I166-F172 VanDerWaalsContact CG2-CA 3.44Å; I166-F172 HydrophobicContact CG2-CB 3.39Å; I166-F172 HydrophobicContact CG2-CD2 3.75Å; I166-F172 HydrophobicContact CG2-CG 4.05Å; D168-F172 PolarHBondContact O-N 3.49Å; F172-Q174 PolarHBondContact O-N 3.1Å; F172-Y175 PolarHBondContact O-N 3.03Å; F172-W176 AromaticContact CD1-CD1 3.81Å; F172-W176 AromaticContact CD2-CD1 3.91Å; F172-W176 AromaticContact CD2-NE1 3.76Å; F172-W176 AromaticContact CE1-CD1 3.69Å; F172-W176 AromaticContact CE2-CD1 3.8Å; F172-W176 AromaticContact CE2-NE1 3.42Å; F172-W176 AromaticContact CG-CD1 3.91Å; F172-W176 AromaticContact CZ-CD1 3.69Å; F172-W176 AromaticContact CZ-NE1 3.61Å; F172-W176 PolarHBondContact O-N 3.28Å; F172-W176 VanDerWaalsContact O-N 3.15Å; F172-F197 HydrophobicContact CB-CB 4.27Å; F172-F197 HydrophobicContact CB-CD2 4.08Å; F172-F197 HydrophobicContact CD1-CB 4.38Å; F172-F197 AromaticContact CD2-CD2 3.79Å; F172-F197 HydrophobicContact CD2-CD2 3.79Å; F172-F197 HydrophobicContact CE2-CD2 4.48Å; F172-F197 HydrophobicContact CG-CB 4.22Å; F172-F197 HydrophobicContact CG-CD2 4Å; F172-F200 HydrophobicContact CE2-CD1 4.36Å; F172-F200 HydrophobicContact CE2-CG 4.37Å; F172-F200 HydrophobicContact CZ-CB 4.37Å; F172-F200 HydrophobicContact CZ-CG 4.41Å
173	D	46.1	Very low	42.8	Very low	87 Å²	87	84.7 Å²	84.7	47%	0.465	50%	0.501	S	S	.	.	H	α-helix	trans	-67.1	-35.6	-176.7	-72	-14.8	0	0	0	111.9	A169 A177	A169-D173 PolarHBondContact O-N 3.49Å; D173-A177 WeakPolarHBondContact O-CB 3.07Å; D173-A177 PolarHBondContact O-N 3.34Å
174	Q	46.6	Very low	42.5	Very low	149 Å²	149	79.9 Å²	79.9	70%	0.696	48%	0.483	S	S	*	.	H	α-helix	trans	-70.9	-41.5	176.3	-83.7	-177.7	-19.5	0	0	113.5	A170 F172 W176 G178	A170-Q174 WeakPolarHBondContact O-CB 3.47Å; A170-Q174 WeakPolarHBondContact O-CG 3.43Å; A170-Q174 PolarHBondContact O-N 3.02Å; A170-Q174 VanDerWaalsContact O-N 3.07Å; F172-Q174 PolarHBondContact O-N 3.1Å; Q174-W176 VanDerWaalsContact C-N 3.35Å; Q174-G178 PolarHBondContact O-N 3.25Å
175	Y	42.9	Very low	42.1	Very low	67 Å²	67	84 Å²	84	26%	0.263	50%	0.499	S	S	.	.	H	α-helix	trans	-62.2	-45.1	178.6	-178.4	-96.9	0	0	0	110.9	I166 E171 F172 T179 Y283	I166-Y175 HydrophobicContact CD1-CD1 4.49Å; E171-Y175 WeakPolarHBondContact O-CB 3.44Å; E171-Y175 PolarHBondContact O-N 3.38Å; F172-Y175 PolarHBondContact O-N 3.03Å; Y175-T179 PolarHBondContact O-OG1 3.4Å; Y175-Y283 HydrophobicContact CD2-CE1 4.18Å; Y175-Y283 HydrophobicContact CD2-CE2 4.16Å; Y175-Y283 AromaticContact CD2-CZ 3.78Å; Y175-Y283 HydrophobicContact CE2-CD2 4.22Å; Y175-Y283 HydrophobicContact CE2-CE1 4.33Å; Y175-Y283 AromaticContact CE2-CE2 3.86Å; Y175-Y283 HydrophobicContact CE2-CE2 3.86Å; Y175-Y283 AromaticContact CE2-CZ 3.92Å
176	W	44.2	Very low	41.9	Very low	66 Å²	66	85.9 Å²	85.9	25%	0.25	52%	0.516	C	S	.	.	H	α-helix	trans	-79.9	-23.5	-178.7	-67.8	115.4	0	0	0	114.1	F65 F172 Q174 G178	F65-W176 HydrophobicContact CD1-CH2 4.31Å; F65-W176 HydrophobicContact CD1-CZ3 4.24Å; F65-W176 HydrophobicContact CE1-CZ3 4.42Å; F172-W176 AromaticContact CD1-CD1 3.81Å; F172-W176 AromaticContact CD2-CD1 3.91Å; F172-W176 AromaticContact CD2-NE1 3.76Å; F172-W176 AromaticContact CE1-CD1 3.69Å; F172-W176 AromaticContact CE2-CD1 3.8Å; F172-W176 AromaticContact CE2-NE1 3.42Å; F172-W176 AromaticContact CG-CD1 3.91Å; F172-W176 AromaticContact CZ-CD1 3.69Å; F172-W176 AromaticContact CZ-NE1 3.61Å; F172-W176 PolarHBondContact O-N 3.28Å; F172-W176 VanDerWaalsContact O-N 3.15Å; Q174-W176 VanDerWaalsContact C-N 3.35Å; W176-G178 VanDerWaalsContact C-N 3.34Å
177	A	42.9	Very low	41.5	Very low	86 Å²	86	86.5 Å²	86.5	71%	0.711	53%	0.528	S	S	*	.	H	α-helix	trans	-74.4	-20.9	173.4	0	0	0	0	0	113.7	D173	D173-A177 WeakPolarHBondContact O-CB 3.07Å; D173-A177 PolarHBondContact O-N 3.34Å
178	G	41.7	Very low	41.2	Very low	68 Å²	68	92.1 Å²	92.1	70%	0.701	54%	0.537	S	S	*	.	H	α-helix	trans	-103.6	-11.2	-174.1	0	0	0	0	0	116.6	Q174 W176	Q174-G178 PolarHBondContact O-N 3.25Å; W176-G178 VanDerWaalsContact C-N 3.34Å
179	T	42.6	Very low	40.9	Very low	75 Å²	75	95.5 Å²	95.5	46%	0.46	55%	0.549	S	S	.	.	S	Bend	trans	-105.6	-7.2	-171.6	33.8	0	0	0	0	115.1	Y175	Y175-T179 PolarHBondContact O-OG1 3.4Å
180	L	41.6	Very low	40.7	Very low	65 Å²	65	100.6 Å²	100.6	34%	0.34	57%	0.57	S	S	.	*	S	Bend	trans	-93.2	131.2	-179.3	-73.3	162.9	0	0	0	111.3	I184 P186	L180-I184 HydrophobicContact CD2-CG2 4.29Å; L180-P186 HydrophobicContact CD1-CG 4.09Å
181	P	40.5	Very low	40.3	Very low	83 Å²	83	105.8 Å²	105.8	54%	0.539	59%	0.588	S	S	.	*	P	Polyproline II helix	trans	-56.9	139.2	167.8	-18.8	29.7	0	0	0	110.6	G183 I184	P181-G183 PolarHBondContact O-N 3.39Å; P181-G183 VanDerWaalsContact O-N 3.07Å; P181-I184 HydrophobicContact CG-CD1 4.24Å; P181-I184 PolarHBondContact O-N 2.73Å; P181-I184 VanDerWaalsContact O-N 3.16Å
182	E	37.1	Very low	40	Very low	207 Å²	207	109.7 Å²	109.7	97%	0.967	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.9	118.7	169.8	-76.1	-174.6	160.6	0	0	109.5
183	G	41.8	Very low	39.8	Very low	84 Å²	84	111.9 Å²	111.9	87%	0.866	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	114	-10.8	-179.1	0	0	0	0	0	116.1	P181	P181-G183 PolarHBondContact O-N 3.39Å; P181-G183 VanDerWaalsContact O-N 3.07Å
184	I	41.5	Very low	39.5	Very low	85 Å²	85	116.9 Å²	116.9	44%	0.436	65%	0.652	S	S	.	*			trans	-110.1	89.1	174	-54	178.2	0	0	0	109	L180 P181 P186	L180-I184 HydrophobicContact CD2-CG2 4.29Å; P181-I184 HydrophobicContact CG-CD1 4.24Å; P181-I184 PolarHBondContact O-N 2.73Å; P181-I184 VanDerWaalsContact O-N 3.16Å; I184-P186 WeakPolarHBondContact O-CD 3.47Å
185	N	37.9	Very low	39.4	Very low	113 Å²	113	115.2 Å²	115.2	60%	0.604	64%	0.64	S	S	*	*			trans	-98.9	108.7	172.7	-157.3	-3.9	0	0	0	108.1	A187	N185-A187 PolarHBondContact O-N 3.28Å; N185-A187 WeakPolarHBondContact OD1-CB 3.49Å
186	P	40.5	Very low	39.5	Very low	95 Å²	95	114.6 Å²	114.6	62%	0.617	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	18.8	179	28.5	-33.5	0	0	0	113.3	L180 I184	L180-P186 HydrophobicContact CD1-CG 4.09Å; I184-P186 WeakPolarHBondContact O-CD 3.47Å
187	A	34.1	Very low	39.5	Very low	56 Å²	56	113 Å²	113	46%	0.463	64%	0.638	S	S	.	*	T	Hydrogen-bonded Turn	trans	-109.1	14.7	-166.7	0	0	0	0	0	114.9	N185	N185-A187 PolarHBondContact O-N 3.28Å; N185-A187 WeakPolarHBondContact OD1-CB 3.49Å
188	Y	31.2	Very low	39.4	Very low	207 Å²	207	117 Å²	117	81%	0.812	64%	0.639	S	S	*	*			trans	-134.5	83.2	177.1	-84.7	-85.5	0	0	0	112.1
189	E	32.7	Very low	39.8	Very low	173 Å²	173	116.6 Å²	116.6	81%	0.808	62%	0.621	S	S	*	*	S	Bend	trans	-156.9	101.5	147.4	-116.7	173.3	176.9	0	0	106.4
190	N	36	Very low	40	Very low	158 Å²	158	116 Å²	116	85%	0.845	61%	0.612	S	S	*	*	S	Bend	trans	94.1	128.6	173	-44.5	-25.3	0	0	0	117	E192	N190-E192 VanDerWaalsContact C-N 3.3Å; N190-E192 PolarHBondContact O-N 3.49Å
191	D	35.2	Very low	40.3	Very low	175 Å²	175	118.3 Å²	118.3	94%	0.936	62%	0.621	S	S	*	*	S	Bend	trans	-64.3	30.3	-160.9	-71.4	-47.9	0	0	0	119.1
192	E	37	Very low	40.5	Very low	182 Å²	182	117.3 Å²	117.3	85%	0.85	62%	0.616	S	S	*	*	S	Bend	trans	-131.6	91.1	-179.6	-67.7	-167.5	169.9	0	0	114.6	N190	N190-E192 VanDerWaalsContact C-N 3.3Å; N190-E192 PolarHBondContact O-N 3.49Å
193	G	42.9	Very low	40.8	Very low	68 Å²	68	111.5 Å²	111.5	70%	0.701	59%	0.588	S	S	*	*			trans	80.2	129.9	145.2	0	0	0	0	0	119.2	W195	G193-W195 PolarHBondContact O-N 3.25Å
194	K	39.1	Very low	41	Very low	192 Å²	192	110.2 Å²	110.2	84%	0.835	56%	0.561	S	S	*	*			trans	-41.3	130.4	170.4	-119.6	178	177.8	-177	0	113	T196 N199	K194-T196 PolarHBondContact O-N 3.2Å; K194-N199 PolarHBondContact O-ND2 3.44Å; K194-N199 VanDerWaalsContact O-ND2 3.15Å
195	W	45.1	Very low	40.8	Very low	115 Å²	115	113.5 Å²	113.5	44%	0.436	57%	0.572	S	S	.	*			trans	-65.9	117.2	169.8	-78.1	90.6	0	0	0	110	G193 K203	G193-W195 PolarHBondContact O-N 3.25Å; W195-K203 HydrophobicContact CH2-CD 4.07Å; W195-K203 HydrophobicContact CZ3-CD 4.15Å
196	T	44.7	Very low	40.7	Very low	54 Å²	54	111.7 Å²	111.7	33%	0.331	57%	0.567	S	S	.	*			trans	-118.3	156.1	173.7	58.8	0	0	0	0	109.4	K194 K198 N199 F200	K194-T196 PolarHBondContact O-N 3.2Å; T196-K198 PolarHBondContact O-N 2.88Å; T196-K198 VanDerWaalsContact O-N 3.14Å; T196-N199 WeakPolarHBondContact O-CA 3.4Å; T196-N199 WeakPolarHBondContact O-CB 3.09Å; T196-N199 PolarHBondContact O-N 3.14Å; T196-N199 VanDerWaalsContact OG1-CG 3.28Å; T196-N199 PolarHBondContact OG1-N 2.96Å; T196-N199 PolarHBondContact OG1-ND2 2.98Å; T196-F200 PolarHBondContact O-N 3.12Å
197	F	42.9	Very low	40.5	Very low	33 Å²	33	109.4 Å²	109.4	15%	0.145	56%	0.555	C	S	.	*	H	α-helix	trans	-50.6	-37.7	175.4	-178.7	-105.6	0	0	0	113.3	I166 A169 F172 F200 Q201	I166-F197 HydrophobicContact CG2-CD2 4.29Å; I166-F197 HydrophobicContact CG2-CE2 4.17Å; I166-F197 WeakPolarHBondContact O-CE2 3.47Å; I166-F197 WeakPolarHBondContact O-CZ 3.32Å; A169-F197 HydrophobicContact CB-CB 4.01Å; A169-F197 HydrophobicContact CB-CD1 4.4Å; A169-F197 HydrophobicContact CB-CG 4.41Å; F172-F197 HydrophobicContact CB-CB 4.27Å; F172-F197 HydrophobicContact CB-CD2 4.08Å; F172-F197 HydrophobicContact CD1-CB 4.38Å; F172-F197 AromaticContact CD2-CD2 3.79Å; F172-F197 HydrophobicContact CD2-CD2 3.79Å; F172-F197 HydrophobicContact CE2-CD2 4.48Å; F172-F197 HydrophobicContact CG-CB 4.22Å; F172-F197 HydrophobicContact CG-CD2 4Å; F197-F200 PolarHBondContact O-N 3.35Å; F197-Q201 HydrophobicContact CZ-CG 4.49Å; F197-Q201 PolarHBondContact O-N 2.88Å
198	K	42.3	Very low	40.9	Very low	169 Å²	169	109 Å²	109	74%	0.735	54%	0.543	S	S	*	.	H	α-helix	trans	-64.5	-42.2	173.4	-85.4	-176.9	175.4	177.4	0	112.5	T196 S202	T196-K198 PolarHBondContact O-N 2.88Å; T196-K198 VanDerWaalsContact O-N 3.14Å; K198-S202 WeakPolarHBondContact O-CB 3.17Å; K198-S202 PolarHBondContact O-N 3.35Å; K198-S202 PolarHBondContact O-OG 2.86Å; K198-S202 VanDerWaalsContact O-OG 3.12Å
199	N	48.7	Very low	41	Very low	60 Å²	60	105 Å²	105	32%	0.321	54%	0.535	S	S	.	.	H	α-helix	trans	-63.8	-42.5	176.1	-71.9	-10.4	0	0	0	110.6	K194 T196 S202 K203	K194-N199 PolarHBondContact O-ND2 3.44Å; K194-N199 VanDerWaalsContact O-ND2 3.15Å; T196-N199 WeakPolarHBondContact O-CA 3.4Å; T196-N199 WeakPolarHBondContact O-CB 3.09Å; T196-N199 PolarHBondContact O-N 3.14Å; T196-N199 VanDerWaalsContact OG1-CG 3.28Å; T196-N199 PolarHBondContact OG1-N 2.96Å; T196-N199 PolarHBondContact OG1-ND2 2.98Å; N199-S202 WeakPolarHBondContact CA-OG 3.44Å; N199-S202 PolarHBondContact O-N 3.35Å; N199-S202 PolarHBondContact O-OG 3.34Å; N199-K203 VanDerWaalsContact O-CB 3.26Å; N199-K203 WeakPolarHBondContact O-CB 3.42Å; N199-K203 VanDerWaalsContact O-CG 3.27Å; N199-K203 WeakPolarHBondContact O-CG 2.94Å; N199-K203 PolarHBondContact O-N 3.38Å
200	F	46.5	Very low	41	Very low	62 Å²	62	103.7 Å²	103.7	27%	0.272	53%	0.529	S	S	.	.	H	α-helix	trans	-59.5	-52.7	175.2	-178.9	-103.3	0	0	0	112.6	F172 T196 F197 S202 K203 L204	F172-F200 HydrophobicContact CE2-CD1 4.36Å; F172-F200 HydrophobicContact CE2-CG 4.37Å; F172-F200 HydrophobicContact CZ-CB 4.37Å; F172-F200 HydrophobicContact CZ-CG 4.41Å; T196-F200 PolarHBondContact O-N 3.12Å; F197-F200 PolarHBondContact O-N 3.35Å; F200-S202 VanDerWaalsContact C-N 3.32Å; F200-S202 PolarHBondContact O-N 2.95Å; F200-K203 PolarHBondContact O-N 2.99Å; F200-L204 HydrophobicContact CD1-CD1 3.94Å; F200-L204 HydrophobicContact CE1-CD1 3.57Å; F200-L204 HydrophobicContact CE2-CD1 4.39Å; F200-L204 HydrophobicContact CG-CD1 4.49Å; F200-L204 HydrophobicContact CZ-CD1 3.82Å; F200-L204 PolarHBondContact O-N 3.03Å; F200-L204 VanDerWaalsContact O-N 3.09Å
201	Q	48.9	Very low	41	Very low	114 Å²	114	100.8 Å²	100.8	53%	0.533	51%	0.506	S	S	.	.	H	α-helix	trans	-62.6	-36.1	176	-100.8	-170.6	-17.5	0	0	113.3	F197	F197-Q201 HydrophobicContact CZ-CG 4.49Å; F197-Q201 PolarHBondContact O-N 2.88Å
202	S	44.7	Very low	40.8	Very low	62 Å²	62	94.6 Å²	94.6	43%	0.434	48%	0.48	S	S	.	.	H	α-helix	trans	-74.6	-31.6	-179.9	75.2	0	0	0	0	112.9	K198 N199 F200 P206	K198-S202 WeakPolarHBondContact O-CB 3.17Å; K198-S202 PolarHBondContact O-N 3.35Å; K198-S202 PolarHBondContact O-OG 2.86Å; K198-S202 VanDerWaalsContact O-OG 3.12Å; N199-S202 WeakPolarHBondContact CA-OG 3.44Å; N199-S202 PolarHBondContact O-N 3.35Å; N199-S202 PolarHBondContact O-OG 3.34Å; F200-S202 VanDerWaalsContact C-N 3.32Å; F200-S202 PolarHBondContact O-N 2.95Å; S202-P206 WeakPolarHBondContact O-CD 3.33Å
203	K	42.7	Very low	40.4	Very low	84 Å²	84	88.2 Å²	88.2	37%	0.365	46%	0.455	S	S	.	.	H	α-helix	trans	-85.2	-17.7	179.7	-73.1	-173.6	177.6	-168.9	0	113.6	W195 N199 F200 K205 P206	W195-K203 HydrophobicContact CH2-CD 4.07Å; W195-K203 HydrophobicContact CZ3-CD 4.15Å; N199-K203 VanDerWaalsContact O-CB 3.26Å; N199-K203 WeakPolarHBondContact O-CB 3.42Å; N199-K203 VanDerWaalsContact O-CG 3.27Å; N199-K203 WeakPolarHBondContact O-CG 2.94Å; N199-K203 PolarHBondContact O-N 3.38Å; F200-K203 PolarHBondContact O-N 2.99Å; K203-K205 VanDerWaalsContact C-N 3.32Å; K203-P206 VanDerWaalsContact O-CD 3.26Å; K203-P206 WeakPolarHBondContact O-CD 3.26Å
204	L	47	Very low	39.9	Very low	57 Å²	57	90.9 Å²	90.9	30%	0.298	46%	0.458	S	S	.	.	H	α-helix	trans	-63.5	-38.9	166.1	-83.9	157.5	0	0	0	111	F200 A207 F208	F200-L204 HydrophobicContact CD1-CD1 3.94Å; F200-L204 HydrophobicContact CE1-CD1 3.57Å; F200-L204 HydrophobicContact CE2-CD1 4.39Å; F200-L204 HydrophobicContact CG-CD1 4.49Å; F200-L204 HydrophobicContact CZ-CD1 3.82Å; F200-L204 PolarHBondContact O-N 3.03Å; F200-L204 VanDerWaalsContact O-N 3.09Å; L204-A207 PolarHBondContact O-N 2.7Å; L204-F208 HydrophobicContact CB-CD2 4.17Å; L204-F208 HydrophobicContact CB-CE2 3.88Å; L204-F208 HydrophobicContact CD2-CD2 4.45Å; L204-F208 HydrophobicContact CD2-CE2 3.5Å; L204-F208 VanDerWaalsContact CD2-CE2 3.5Å; L204-F208 HydrophobicContact CD2-CZ 4.09Å; L204-F208 HydrophobicContact CG-CE2 4.26Å; L204-F208 WeakPolarHBondContact O-CD2 3.16Å; L204-F208 PolarHBondContact O-N 3.09Å
205	K	37.4	Very low	39.5	Very low	154 Å²	154	86 Å²	86	67%	0.67	45%	0.453	S	S	*	.	H	α-helix	trans	-58.6	-38.5	-173.3	-72.2	-179.8	175.4	-178.8	0	116.4	K203 L209	K203-K205 VanDerWaalsContact C-N 3.32Å; K205-L209 WeakPolarHBondContact O-CG 3.48Å
206	P	36	Very low	38.8	Very low	76 Å²	76	82.6 Å²	82.6	49%	0.494	45%	0.449	S	S	.	.	H	α-helix	trans	-78.8	-34.8	179.6	-16.2	32	0	0	0	114.2	S202 K203 F208 L209 Q210	S202-P206 WeakPolarHBondContact O-CD 3.33Å; K203-P206 VanDerWaalsContact O-CD 3.26Å; K203-P206 WeakPolarHBondContact O-CD 3.26Å; P206-F208 VanDerWaalsContact C-N 3.27Å; P206-F208 PolarHBondContact O-N 3.41Å; P206-L209 WeakPolarHBondContact O-CB 3.41Å; P206-L209 PolarHBondContact O-N 3.15Å; P206-L209 VanDerWaalsContact O-N 3.14Å; P206-Q210 PolarHBondContact O-N 3.43Å
207	A	34.5	Very low	38.1	Very low	46 Å²	46	87 Å²	87	38%	0.38	47%	0.469	S	S	.	.	H	α-helix	trans	-64.8	-33.9	176.8	0	0	0	0	0	111.9	L204	L204-A207 PolarHBondContact O-N 2.7Å
208	F	43.7	Very low	37.5	Very low	48 Å²	48	88.4 Å²	88.4	21%	0.211	49%	0.493	C	S	.	.	H	α-helix	trans	-69.9	-30.9	172.7	-74.4	-63.9	0	0	0	113.4	L70 E84 L204 P206 Q210 R211 A212	L70-F208 HydrophobicContact CD2-CE1 4.28Å; E84-F208 HydrophobicContact CG-CD1 4.34Å; E84-F208 HydrophobicContact CG-CE1 4.46Å; E84-F208 WeakPolarHBondContact OE2-CD1 3.45Å; L204-F208 HydrophobicContact CB-CD2 4.17Å; L204-F208 HydrophobicContact CB-CE2 3.88Å; L204-F208 HydrophobicContact CD2-CD2 4.45Å; L204-F208 HydrophobicContact CD2-CE2 3.5Å; L204-F208 VanDerWaalsContact CD2-CE2 3.5Å; L204-F208 HydrophobicContact CD2-CZ 4.09Å; L204-F208 HydrophobicContact CG-CE2 4.26Å; L204-F208 WeakPolarHBondContact O-CD2 3.16Å; L204-F208 PolarHBondContact O-N 3.09Å; P206-F208 VanDerWaalsContact C-N 3.27Å; P206-F208 PolarHBondContact O-N 3.41Å; F208-Q210 VanDerWaalsContact C-N 3.3Å; F208-Q210 PolarHBondContact O-N 3.36Å; F208-R211 PolarHBondContact O-N 3.42Å; F208-A212 PolarHBondContact O-N 3.34Å
209	L	33.3	Very low	36.9	Very low	123 Å²	123	84.1 Å²	84.1	64%	0.644	49%	0.49	S	S	*	.	H	α-helix	trans	-69.8	-24	178.4	-78.2	165.1	0	0	0	113.4	K205 P206 S213	K205-L209 WeakPolarHBondContact O-CG 3.48Å; P206-L209 WeakPolarHBondContact O-CB 3.41Å; P206-L209 PolarHBondContact O-N 3.15Å; P206-L209 VanDerWaalsContact O-N 3.14Å; L209-S213 PolarHBondContact O-N 2.65Å
210	Q	32.9	Very low	35.9	Very low	146 Å²	146	90.8 Å²	90.8	68%	0.682	52%	0.516	S	S	*	.	H	α-helix	trans	-78.5	-34.1	178.1	-136.9	170.1	4.9	0	0	111.9	P206 F208 S213	P206-Q210 PolarHBondContact O-N 3.43Å; F208-Q210 VanDerWaalsContact C-N 3.3Å; F208-Q210 PolarHBondContact O-N 3.36Å; Q210-S213 WeakPolarHBondContact O-CB 3.37Å; Q210-S213 PolarHBondContact O-N 3.34Å; Q210-S213 VanDerWaalsContact O-N 3.13Å; Q210-S213 PolarHBondContact O-OG 2.92Å
211	R	35.6	Very low	34.8	Very low	96 Å²	96	97.3 Å²	97.3	36%	0.362	54%	0.544	S	S	.	.	H	α-helix	trans	-68.2	-38	170.2	-74.6	-178.9	176.7	-150.1	-8.5	112.2	E41 F208 S213 V214	E41-R211 IonicContact OE1-CZ 3.32Å; E41-R211 VanDerWaalsContact OE1-CZ 3.32Å; E41-R211 IonicContact OE1-NH1 2.76Å; E41-R211 PolarHBondContact OE1-NH1 3.38Å; E41-R211 IonicContact OE1-NH2 3.19Å; E41-R211 PolarHBondContact OE1-NH2 3.24Å; E41-R211 IonicContact OE2-NH1 3.82Å; F208-R211 PolarHBondContact O-N 3.42Å; R211-S213 PolarHBondContact O-N 2.8Å; R211-V214 PolarHBondContact O-N 3.06Å
212	A	30.9	Very low	33.8	Very low	46 Å²	46	100.6 Å²	100.6	38%	0.38	56%	0.559	S	S	.	*	H	α-helix	trans	-60.5	-29	170.1	0	0	0	0	0	111.8	F208 A215 A216	F208-A212 PolarHBondContact O-N 3.34Å; A212-A215 CarbonylContact O-C 3.6Å; A212-A216 WeakPolarHBondContact O-CA 3.36Å; A212-A216 WeakPolarHBondContact O-CB 3.36Å; A212-A216 PolarHBondContact O-N 3.04Å
213	S	28.9	Very low	33	Very low	47 Å²	47	106.3 Å²	106.3	33%	0.329	58%	0.583	S	S	.	*	H	α-helix	trans	-73.9	-31.2	-178	78.1	0	0	0	0	114.4	L209 Q210 R211 A216 I217	L209-S213 PolarHBondContact O-N 2.65Å; Q210-S213 WeakPolarHBondContact O-CB 3.37Å; Q210-S213 PolarHBondContact O-N 3.34Å; Q210-S213 VanDerWaalsContact O-N 3.13Å; Q210-S213 PolarHBondContact O-OG 2.92Å; R211-S213 PolarHBondContact O-N 2.8Å; S213-A216 PolarHBondContact O-N 3.28Å; S213-I217 VanDerWaalsContact O-CD1 3.26Å; S213-I217 WeakPolarHBondContact O-CD1 3.32Å; S213-I217 WeakPolarHBondContact O-CG1 3.44Å; S213-I217 PolarHBondContact O-N 2.83Å
214	V	31.4	Very low	32.2	Very low	125 Å²	125	106.5 Å²	106.5	76%	0.758	60%	0.595	S	S	*	*	H	α-helix	trans	-77.8	-28.1	176.2	-177.9	0	0	0	0	111.5	R211	R211-V214 PolarHBondContact O-N 3.06Å
215	A	31.3	Very low	31.2	Very low	88 Å²	88	112.1 Å²	112.1	73%	0.727	62%	0.621	S	S	*	*	H	α-helix	trans	-81.2	-21.8	166.9	0	0	0	0	0	113.5	A212	A212-A215 CarbonylContact O-C 3.6Å
216	A	29.9	Very low	30.7	Very low	44 Å²	44	111.8 Å²	111.8	36%	0.364	63%	0.633	S	S	.	*	H	α-helix	trans	-104.8	1	-174.6	0	0	0	0	0	115.8	A212 S213 G218 A219	A212-A216 WeakPolarHBondContact O-CA 3.36Å; A212-A216 WeakPolarHBondContact O-CB 3.36Å; A212-A216 PolarHBondContact O-N 3.04Å; S213-A216 PolarHBondContact O-N 3.28Å; A216-G218 PolarHBondContact O-N 3.43Å; A216-A219 PolarHBondContact O-N 3.37Å; A216-A219 VanDerWaalsContact O-N 3.15Å
217	I	31.5	Very low	30.2	Very low	146 Å²	146	119.9 Å²	119.9	75%	0.749	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	-11.3	171.9	-78.6	157.2	0	0	0	112.3	S213	S213-I217 VanDerWaalsContact O-CD1 3.26Å; S213-I217 WeakPolarHBondContact O-CD1 3.32Å; S213-I217 WeakPolarHBondContact O-CG1 3.44Å; S213-I217 PolarHBondContact O-N 2.83Å
218	G	29	Very low	29.8	Very low	63 Å²	63	122.2 Å²	122.2	65%	0.649	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	-9.6	169.3	0	0	0	0	0	116.9	A216	A216-G218 PolarHBondContact O-N 3.43Å
219	A	30.2	Very low	29	Very low	80 Å²	80	125 Å²	125	66%	0.661	70%	0.698	S	S	*	*			trans	-116	22.3	-159.9	0	0	0	0	0	116.2	A216	A216-A219 PolarHBondContact O-N 3.37Å; A216-A219 VanDerWaalsContact O-N 3.15Å
220	K	26.6	Very low	28.6	Very low	199 Å²	199	123.9 Å²	123.9	87%	0.865	71%	0.707	S	S	*	*			trans	-111.8	80.1	177.8	-93	-179.4	175.8	172.7	0	112.7
221	K	25.2	Very low	28.3	Very low	199 Å²	199	121.8 Å²	121.8	87%	0.865	71%	0.708	S	S	*	*	S	Bend	trans	174.9	82.6	149.1	-103.9	172.8	179.8	177.2	0	111.7
222	H	26.9	Very low	27.9	Very low	184 Å²	184	122.7 Å²	122.7	85%	0.852	72%	0.724	S	S	*	*			trans	175.2	58.5	142.6	-106.6	-83.1	0	0	0	111
223	I	27.2	Very low	27.6	Very low	181 Å²	181	127.4 Å²	127.4	93%	0.928	74%	0.743	S	S	*	*			trans	-104.3	89.4	160.7	-62.7	174.1	0	0	0	106.5
224	S	27.1	Very low	27.4	Very low	89 Å²	89	132.5 Å²	132.5	62%	0.622	77%	0.767	S	S	*	*			trans	-165.9	116	171.4	152.3	0	0	0	0	109.7
225	M	25.5	Very low	27.2	Very low	174 Å²	174	136.5 Å²	136.5	86%	0.857	77%	0.774	S	S	*	*			trans	91	67.5	168.9	-57.8	-163.8	-161.7	0	0	119.5
226	T	27.5	Very low	26.9	Very low	148 Å²	148	141.2 Å²	141.2	91%	0.908	78%	0.778	S	S	*	*				-139.2	86	125.6	-15.9	0	0	0	0	109.2	A228	T226-A228 PolarHBondContact O-N 3.3Å
227	R	24.3	Very low	26.7	Very low	246 Å²	246	145.5 Å²	145.5	93%	0.928	80%	0.803	S	S	*	*			trans	-76	98.5	174.9	-158.1	-179.9	-165.2	174.4	3.6	107.8
228	A	26.6	Very low	26.4	Very low	95 Å²	95	147.2 Å²	147.2	79%	0.785	80%	0.804	S	S	*	*			trans	-121.9	86.4	153.7	0	0	0	0	0	106.6	T226 A230	T226-A228 PolarHBondContact O-N 3.3Å; A228-A230 PolarHBondContact O-N 2.9Å
229	S	27.1	Very low	26.3	Very low	106 Å²	106	151.9 Å²	151.9	74%	0.741	81%	0.809	S	S	*	*			trans	-52.5	119.4	169.5	42.8	0	0	0	0	110.1
230	A	24.6	Very low	25.9	Very low	100 Å²	100	157.3 Å²	157.3	83%	0.826	82%	0.821	S	S	*	*			trans	-58.4	133.9	156.1	0	0	0	0	0	109.9	A228	A228-A230 PolarHBondContact O-N 2.9Å
231	S	27.7	Very low	25.8	Very low	102 Å²	102	154.1 Å²	154.1	71%	0.713	82%	0.823	S	S	*	*			trans	-137.3	97.6	146.4	70	0	0	0	0	106
232	T	25.8	Very low	25.6	Very low	114 Å²	114	150 Å²	150	70%	0.699	82%	0.818	S	S	*	*				82.7	116.8	105.7	54.4	0	0	0	0	113.7
233	N	24.9	Very low	25.5	Very low	146 Å²	146	148.1 Å²	148.1	78%	0.781	82%	0.82	S	S	*	*			trans	90.8	138.5	147.7	-55.9	-16	0	0	0	117.9
234	D	24.9	Very low	25.4	Very low	153 Å²	153	149 Å²	149	82%	0.818	82%	0.817	S	S	*	*			trans	85.5	71.6	170.5	-59	-22.6	0	0	0	118.7
235	F	26.5	Very low	25.1	Very low	209 Å²	209	156.2 Å²	156.2	92%	0.917	83%	0.83	S	S	*	*			trans	-143.8	102.1	137.6	-120	-89.1	0	0	0	111.4
236	K	25.1	Very low	25	Very low	188 Å²	188	153 Å²	153	82%	0.817	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-63.1	134.9	166	-73.9	175.5	173.9	176.5	0	109.9	K238	K236-K238 PolarHBondContact O-N 2.83Å
237	P	26.1	Very low	24.8	Very low	134 Å²	134	151.7 Å²	151.7	87%	0.87	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-78.8	117.6	163	31.3	-27.4	0	0	0	108.6
238	K	26.2	Very low	24.8	Very low	181 Å²	181	146.2 Å²	146.2	79%	0.787	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-84	136.8	170.1	-85.4	-173.1	172.2	-171.2	0	110.3	K236	K236-K238 PolarHBondContact O-N 2.83Å
239	E	26.2	Very low	24.7	Very low	161 Å²	161	146 Å²	146	75%	0.752	81%	0.807	S	S	*	*			trans	73.4	92	150.2	-67.4	164.9	-159	0	0	116.3
240	Q	22.7	Very low	24.7	Very low	194 Å²	194	151.5 Å²	151.5	91%	0.907	81%	0.813	S	S	*	*				50.3	99.6	81.9	-75.5	-177.1	-16	0	0	114.1
241	C	23.1	Very low	24.9	Very low	133 Å²	133	153.5 Å²	153.5	90%	0.899	81%	0.81	S	S	*	*			trans	-112.6	112	144.6	-149.6	0	0	0	0	107.2
242	S	21.7	Very low	25	Very low	111 Å²	111	155.8 Å²	155.8	78%	0.776	81%	0.814	S	S	*	*			trans	-75.2	124.7	-176.4	65.6	0	0	0	0	111.1
243	V	25.6	Very low	25.1	Very low	146 Å²	146	157.9 Å²	157.9	89%	0.885	82%	0.82	S	S	*	*			trans	-127.6	125.4	155.2	-176.6	0	0	0	0	107.5
244	K	23.3	Very low	25.1	Very low	198 Å²	198	154.3 Å²	154.3	86%	0.861	82%	0.818	S	S	*	*			trans	-55.5	133.7	-164.9	-72.8	169.4	171	176.7	0	113	S246	K244-S246 PolarHBondContact O-N 2.91Å
245	R	22.2	Very low	25.3	Very low	241 Å²	241	157.3 Å²	157.3	91%	0.909	82%	0.819	S	S	*	*			trans	-62.6	116.8	157.3	-72.3	175.8	174.9	161.7	-3.5	108.6
246	S	23.6	Very low	25.2	Very low	106 Å²	106	157.1 Å²	157.1	74%	0.741	82%	0.818	S	S	*	*			trans	-110.1	103.3	156.7	53.9	0	0	0	0	107.5	K244	K244-S246 PolarHBondContact O-N 2.91Å
247	C	22.3	Very low	25.4	Very low	122 Å²	122	156.4 Å²	156.4	82%	0.824	82%	0.822	S	S	*	*			trans	-71.3	124.2	164.2	-55.9	0	0	0	0	106.8
248	V	25.1	Very low	25.5	Very low	131 Å²	131	155.1 Å²	155.1	79%	0.794	82%	0.817	S	S	*	*			trans	-107.8	122.8	165.6	178.9	0	0	0	0	106.9
249	S	23.8	Very low	25.6	Very low	90 Å²	90	155.4 Å²	155.4	63%	0.629	83%	0.826	S	S	*	*			trans	-64.3	136	-178	-173.8	0	0	0	0	111.5	N251	S249-N251 VanDerWaalsContact C-N 3.25Å; S249-N251 PolarHBondContact O-N 3.24Å
250	Y	27.5	Very low	25.5	Very low	222 Å²	222	151 Å²	151	87%	0.871	82%	0.823	S	S	*	*	S	Bend	trans	-85.4	29.2	-172.5	-136.6	-88.1	0	0	0	114
251	N	29.2	Very low	25.8	Very low	142 Å²	142	147.7 Å²	147.7	76%	0.759	82%	0.821	S	S	*	*			trans	-98.8	2.3	-172.2	-79.2	0.7	0	0	0	115.7	S249	S249-N251 VanDerWaalsContact C-N 3.25Å; S249-N251 PolarHBondContact O-N 3.24Å
252	D	29.2	Very low	25.9	Very low	150 Å²	150	153 Å²	153	80%	0.802	82%	0.822	S	S	*	*	S	Bend	trans	-117.6	8.7	-165.6	-86.4	-20.1	0	0	0	118.2
253	L	28.8	Very low	26.2	Very low	158 Å²	158	157 Å²	157	83%	0.827	83%	0.829	S	S	*	*			trans	-137.2	97.3	171.4	-89.7	104.6	0	0	0	113.4
254	G	24.3	Very low	26.3	Very low	71 Å²	71	159.7 Å²	159.7	73%	0.732	83%	0.832	S	S	*	*			trans	-82.8	120.3	169.6	0	0	0	0	0	112.2
255	Y	28.5	Very low	26.5	Very low	216 Å²	216	154.2 Å²	154.2	85%	0.847	83%	0.832	S	S	*	*			trans	-136.6	93.9	153.4	-79.7	-80.5	0	0	0	108.5	L257	Y255-L257 PolarHBondContact O-N 3.17Å
256	K	25.7	Very low	27	Very low	205 Å²	205	146.1 Å²	146.1	89%	0.891	81%	0.812	S	S	*	*			trans	-71.4	110.5	160.3	-89.2	179.1	172.3	177.7	0	107.3	S258	K256-S258 VanDerWaalsContact C-N 3.29Å; K256-S258 PolarHBondContact O-N 2.79Å
257	L	28.6	Very low	27.8	Very low	173 Å²	173	144.4 Å²	144.4	91%	0.906	80%	0.8	S	S	*	*			trans	-73.2	87.2	162.3	-99.6	140.6	0	0	0	108.2	Y255 L259	Y255-L257 PolarHBondContact O-N 3.17Å; L257-L259 PolarHBondContact O-N 2.79Å
258	S	27.4	Very low	28.7	Very low	107 Å²	107	143 Å²	143	75%	0.748	79%	0.792	S	S	*	*			trans	-72	110.7	167	59.3	0	0	0	0	109.5	K256 G260	K256-S258 VanDerWaalsContact C-N 3.29Å; K256-S258 PolarHBondContact O-N 2.79Å; S258-G260 PolarHBondContact O-N 2.89Å
259	L	27.7	Very low	29.6	Very low	187 Å²	187	137.6 Å²	137.6	98%	0.979	76%	0.758	S	S	*	*			trans	-62.5	106.3	164	-87.3	141.3	0	0	0	109.1	L257	L257-L259 PolarHBondContact O-N 2.79Å
260	G	24.6	Very low	30.7	Very low	67 Å²	67	136.6 Å²	136.6	69%	0.691	75%	0.748	S	S	*	*			trans	179.8	57.7	180	0	0	0	0	0	115.6	S258	S258-G260 PolarHBondContact O-N 2.89Å
261	S	29.1	Very low	31.5	Very low	125 Å²	125	132.6 Å²	132.6	87%	0.874	74%	0.735	S	S	*	*			trans	-175.5	136.8	147.1	41.7	0	0	0	0	111.4	E263	S261-E263 PolarHBondContact O-N 3.38Å
262	R	25	Very low	32.3	Very low	245 Å²	245	127.6 Å²	127.6	93%	0.925	71%	0.714	S	S	*	*			trans	-83.8	101.7	-165.4	-179.5	176.6	168.7	175	-3.5	110.2
263	E	29	Very low	33.3	Very low	196 Å²	196	121.1 Å²	121.1	92%	0.916	68%	0.679	S	S	*	*			trans	-129.7	129.8	163.3	-78.6	-169.8	165.8	0	0	110.8	S261	S261-E263 PolarHBondContact O-N 3.38Å
264	Q	26.4	Very low	34.1	Very low	201 Å²	201	116 Å²	116	94%	0.939	66%	0.657	S	S	*	*			trans	-76.6	139.6	-170.5	-67	163.9	-34.2	0	0	111.1
265	G	28.5	Very low	35.3	Very low	84 Å²	84	116.1 Å²	116.1	87%	0.866	64%	0.64	S	S	*	*			trans	125.6	3.3	145.1	0	0	0	0	0	121.5
266	S	31.7	Very low	36.2	Very low	71 Å²	71	108.9 Å²	108.9	50%	0.497	61%	0.614	S	S	.	*			trans	-115.2	127.8	172.5	93.6	0	0	0	0	113.1
267	S	40.3	Very low	37	Very low	69 Å²	69	103.1 Å²	103.1	48%	0.483	59%	0.592	S	S	.	*			trans	-58.9	140.8	178.8	75.3	0	0	0	0	110.2	L269 T270	S267-L269 PolarHBondContact O-N 3.23Å; S267-T270 WeakPolarHBondContact O-CB 3.31Å; S267-T270 PolarHBondContact O-N 3.1Å; S267-T270 PolarHBondContact O-OG1 2.86Å; S267-T270 PolarHBondContact OG-OG1 3.49Å
268	S	41.3	Very low	37.8	Very low	93 Å²	93	100.9 Å²	100.9	65%	0.65	58%	0.578	S	S	*	*	H	α-helix	trans	-53.4	-27.3	178.1	57.7	0	0	0	0	112.8	K271 A272	S268-K271 PolarHBondContact O-N 2.92Å; S268-A272 PolarHBondContact O-N 3.48Å
269	L	44.7	Very low	38.4	Very low	17 Å²	17	99.7 Å²	99.7	9%	0.089	57%	0.568	C	S	.	*	H	α-helix	trans	-61.9	-41.6	174	-149.8	87.9	0	0	0	112.8	P60 V61 D147 S267 K271 A272 L273	P60-L269 HydrophobicContact CB-CD1 3.54Å; P60-L269 HydrophobicContact CB-CD2 4.07Å; P60-L269 HydrophobicContact CB-CG 4.46Å; P60-L269 HydrophobicContact CG-CD1 3.95Å; P60-L269 HydrophobicContact CG-CD2 4.33Å; V61-L269 HydrophobicContact CG2-CD1 3.54Å; D147-L269 HydrophobicContact CB-CD2 4.29Å; S267-L269 PolarHBondContact O-N 3.23Å; L269-K271 VanDerWaalsContact C-N 3.28Å; L269-K271 PolarHBondContact O-N 2.99Å; L269-A272 PolarHBondContact O-N 3.44Å; L269-L273 HydrophobicContact CD2-CD1 3.64Å; L269-L273 HydrophobicContact CG-CD1 3.88Å; L269-L273 HydrophobicContact CG-CG 4.35Å; L269-L273 VanDerWaalsContact O-CB 3.25Å; L269-L273 WeakPolarHBondContact O-CB 3.49Å; L269-L273 WeakPolarHBondContact O-CG 3.47Å; L269-L273 PolarHBondContact O-N 3.3Å
270	T	46.8	Very low	38.9	Very low	69 Å²	69	99.3 Å²	99.3	42%	0.423	56%	0.562	S	S	.	*	H	α-helix	trans	-67	-33	-178.1	-34.6	0	0	0	0	111.3	S267 S274	S267-T270 WeakPolarHBondContact O-CB 3.31Å; S267-T270 PolarHBondContact O-N 3.1Å; S267-T270 PolarHBondContact O-OG1 2.86Å; S267-T270 PolarHBondContact OG-OG1 3.49Å; T270-S274 VanDerWaalsContact O-CB 3.3Å; T270-S274 WeakPolarHBondContact O-CB 3.36Å; T270-S274 PolarHBondContact O-N 2.96Å; T270-S274 PolarHBondContact O-OG 3.24Å
271	K	44.1	Very low	39.8	Very low	138 Å²	138	99.1 Å²	99.1	60%	0.6	54%	0.543	S	S	*	.	H	α-helix	trans	-75.6	-36.3	173.8	-76.6	179.9	178.3	176.4	0	112.8	S268 L269 S274	S268-K271 PolarHBondContact O-N 2.92Å; L269-K271 VanDerWaalsContact C-N 3.28Å; L269-K271 PolarHBondContact O-N 2.99Å; K271-S274 WeakPolarHBondContact CA-OG 3.31Å; K271-S274 PolarHBondContact O-OG 3.28Å
272	A	47	Very low	40.2	Very low	38 Å²	38	97.8 Å²	97.8	31%	0.314	53%	0.531	S	S	.	.	H	α-helix	trans	-68.4	-39.8	173.2	0	0	0	0	0	111.6	S268 L269 I275	S268-A272 PolarHBondContact O-N 3.48Å; L269-A272 PolarHBondContact O-N 3.44Å; A272-I275 WeakPolarHBondContact O-CB 3.38Å
273	L	49.3	Very low	41.2	Very low	13 Å²	13	91.9 Å²	91.9	7%	0.068	51%	0.509	C	S	.	.	H	α-helix	trans	-73.8	-27.2	176.7	-68.9	169.9	0	0	0	112.7	F154 L269 I275 H276	F154-L273 HydrophobicContact CB-CD2 3.85Å; F154-L273 HydrophobicContact CD2-CD2 3.74Å; F154-L273 HydrophobicContact CG-CD2 3.94Å; L269-L273 HydrophobicContact CD2-CD1 3.64Å; L269-L273 HydrophobicContact CG-CD1 3.88Å; L269-L273 HydrophobicContact CG-CG 4.35Å; L269-L273 VanDerWaalsContact O-CB 3.25Å; L269-L273 WeakPolarHBondContact O-CB 3.49Å; L269-L273 WeakPolarHBondContact O-CG 3.47Å; L269-L273 PolarHBondContact O-N 3.3Å; L273-I275 PolarHBondContact O-N 3.5Å; L273-H276 PolarHBondContact O-N 3.03Å
274	S	46.8	Very low	42.4	Very low	50 Å²	50	86.3 Å²	86.3	35%	0.35	48%	0.483	S	S	.	.	H	α-helix	trans	-67.2	-26.1	176.3	63.6	0	0	0	0	112.8	T270 K271 H276 N277 E278	T270-S274 VanDerWaalsContact O-CB 3.3Å; T270-S274 WeakPolarHBondContact O-CB 3.36Å; T270-S274 PolarHBondContact O-N 2.96Å; T270-S274 PolarHBondContact O-OG 3.24Å; K271-S274 WeakPolarHBondContact CA-OG 3.31Å; K271-S274 PolarHBondContact O-OG 3.28Å; S274-H276 PolarHBondContact O-N 3.04Å; S274-N277 PolarHBondContact O-N 2.78Å; S274-E278 PolarHBondContact O-N 2.97Å
275	I	48.3	Very low	44	Very low	75 Å²	75	84 Å²	84	39%	0.385	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-33.7	173.7	-67.7	170.5	0	0	0	111	A272 L273	A272-I275 WeakPolarHBondContact O-CB 3.38Å; L273-I275 PolarHBondContact O-N 3.5Å
276	H	47.8	Very low	46.2	Very low	64 Å²	64	81.8 Å²	81.8	30%	0.296	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-10.2	177.6	-70.9	-6	0	0	0	114.2	H64 F154 L273 S274	H64-H276 AromaticContact CE1-CD2 3.81Å; H64-H276 AromaticContact CE1-NE2 3.31Å; H64-H276 PolarHBondContact CE1-NE2 3.06Å; H64-H276 VanDerWaalsContact CE1-NE2 3.31Å; H64-H276 AromaticContact NE2-NE2 3.61Å; F154-H276 PolarHBondContact O-CD2 3.4Å; F154-H276 PolarHBondContact O-NE2 3.07Å; L273-H276 PolarHBondContact O-N 3.03Å; S274-H276 PolarHBondContact O-N 3.04Å
277	N	43.3	Very low	48.4	Very low	83 Å²	83	79 Å²	79	44%	0.444	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-11.9	172.6	-77.2	-27.5	0	0	0	112.7	S274	S274-N277 PolarHBondContact O-N 2.78Å
278	E	45.4	Very low	50.2	Low	127 Å²	127	81.2 Å²	81.2	59%	0.593	41%	0.414	S	S	*	.			trans	-92.9	103.2	177.4	-71.1	-173.1	176	0	0	111.1	S274 Q280 H281	S274-E278 PolarHBondContact O-N 2.97Å; E278-Q280 PolarHBondContact O-N 3.19Å; E278-H281 PolarHBondContact O-N 2.81Å
279	C	39.2	Very low	51.9	Low	82 Å²	82	81.2 Å²	81.2	55%	0.554	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	7.3	179.3	-55.7	0	0	0	0	115.4
280	Q	37.5	Very low	53.7	Low	179 Å²	179	81.9 Å²	81.9	84%	0.836	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120	11.9	-174.4	-67.8	-172.1	-6	0	0	113.8	E278	E278-Q280 PolarHBondContact O-N 3.19Å
281	H	43.8	Very low	55.4	Low	63 Å²	63	79.8 Å²	79.8	29%	0.292	40%	0.402	S	S	.	.			trans	-64.8	128.4	177.8	-126.4	-77.7	0	0	0	111.1	E278 Y283 H284	E278-H281 PolarHBondContact O-N 2.81Å; H281-Y283 AromaticContact ND1-CD2 3.96Å; H281-Y283 PolarHBondContact O-N 2.78Å; H281-H284 PolarHBondContact O-N 3.44Å; H281-H284 VanDerWaalsContact O-N 3.12Å
282	P	38.2	Very low	57.2	Low	97 Å²	97	79.2 Å²	79.2	63%	0.63	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-5.3	-172.1	19.5	-32.1	0	0	0	115.8
283	Y	45.5	Very low	58.8	Low	120 Å²	120	82.3 Å²	82.3	47%	0.471	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-11.9	-179.9	-63.9	-74.2	0	0	0	114	Y175 H281 R285	Y175-Y283 HydrophobicContact CD2-CE1 4.18Å; Y175-Y283 HydrophobicContact CD2-CE2 4.16Å; Y175-Y283 AromaticContact CD2-CZ 3.78Å; Y175-Y283 HydrophobicContact CE2-CD2 4.22Å; Y175-Y283 HydrophobicContact CE2-CE1 4.33Å; Y175-Y283 AromaticContact CE2-CE2 3.86Å; Y175-Y283 HydrophobicContact CE2-CE2 3.86Å; Y175-Y283 AromaticContact CE2-CZ 3.92Å; H281-Y283 AromaticContact ND1-CD2 3.96Å; H281-Y283 PolarHBondContact O-N 2.78Å; Y283-R285 PolarHBondContact O-N 3.46Å
284	H	54	Low	60.3	Low	80 Å²	80	82.7 Å²	82.7	37%	0.37	43%	0.426	S	S	.	.			trans	-84.6	93.2	175.1	-76.2	-65.2	0	0	0	110.7	H281 C329	H281-H284 PolarHBondContact O-N 3.44Å; H281-H284 VanDerWaalsContact O-N 3.12Å; H284-C329 VanDerWaalsContact CG-SG 3.58Å; H284-C329 WeakPolarHBondContact ND1-CB 3.19Å
285	R	60.7	Low	61.8	Low	152 Å²	152	82.4 Å²	82.4	57%	0.574	42%	0.424	S	S	*	.			trans	-100.3	139.7	170.3	-73.9	-174	-174.8	168.3	5.3	110.2	V162 K163 Y283	V162-R285 HydrophobicContact CG1-CB 3.61Å; V162-R285 VanDerWaalsContact CG1-O 3.25Å; V162-R285 WeakPolarHBondContact CG1-O 3.48Å; K163-R285 PolarHBondContact O-NH1 2.79Å; Y283-R285 PolarHBondContact O-N 3.46Å
286	Y	73.6	Confident	63	Low	37 Å²	37	84.9 Å²	84.9	15%	0.145	45%	0.448	C	S	.	.			trans	-95.2	154.1	170	-63.8	-79.4	0	0	0	110.3	Q288 R327 C329 E332 D334	Y286-Q288 VanDerWaalsContact C-N 3.28Å; Y286-Q288 PolarHBondContact O-N 3.24Å; Y286-R327 WeakPolarHBondContact OH-CA 3.28Å; Y286-R327 PolarHBondContact OH-O 3.38Å; Y286-C329 PolarHBondContact OH-N 3.38Å; Y286-C329 PolarHBondContact OH-SG 2.8Å; Y286-E332 CarbonylContact C-O 3.26Å; Y286-E332 WeakPolarHBondContact CA-O 3.26Å; Y286-D334 HydrophobicContact CD1-CB 3.86Å; Y286-D334 HydrophobicContact CD2-CB 3.86Å; Y286-D334 HydrophobicContact CE1-CB 4.22Å; Y286-D334 HydrophobicContact CE2-CB 4.24Å; Y286-D334 HydrophobicContact CG-CB 3.66Å
287	N	78.1	Confident	64.5	Low	14 Å²	14	84.1 Å²	84.1	8%	0.075	46%	0.458	C	S	.	.			trans	-74.1	84.6	168.6	-171.9	-20.7	0	0	0	109.5	V162 P289 L290 T291 E332	V162-N287 HydrophobicContact CG2-CB 4.15Å; N287-P289 VanDerWaalsContact OD1-CD 3.23Å; N287-P289 WeakPolarHBondContact OD1-CD 3.14Å; N287-L290 HydrophobicContact CB-CB 4.06Å; N287-L290 PolarHBondContact O-N 2.61Å; N287-L290 PolarHBondContact OD1-N 2.89Å; N287-L290 VanDerWaalsContact OD1-N 3.13Å; N287-T291 WeakPolarHBondContact O-CB 3.43Å; N287-T291 PolarHBondContact O-N 3.05Å; N287-T291 PolarHBondContact O-OG1 3.23Å; N287-E332 HydrophobicContact CB-CG 3.64Å; N287-E332 VanDerWaalsContact CB-OE1 3.27Å; N287-E332 WeakPolarHBondContact CB-OE1 3.25Å; N287-E332 PolarHBondContact N-O 2.94Å; N287-E332 PolarHBondContact ND2-OE1 2.81Å
288	Q	77.9	Confident	66.4	Low	115 Å²	115	80.3 Å²	80.3	54%	0.537	44%	0.438	S	S	.	.	H	α-helix	trans	-53	-44.8	178.1	-126.6	95.7	27.8	0	0	113.1	Y286 L290 T291 N292	Y286-Q288 VanDerWaalsContact C-N 3.28Å; Y286-Q288 PolarHBondContact O-N 3.24Å; Q288-L290 VanDerWaalsContact C-N 3.33Å; Q288-L290 PolarHBondContact O-N 3.32Å; Q288-T291 PolarHBondContact O-N 3.24Å; Q288-N292 WeakPolarHBondContact O-CB 3.21Å; Q288-N292 PolarHBondContact O-N 3.28Å; Q288-N292 PolarHBondContact O-ND2 3.41Å
289	P	78.6	Confident	68.5	Low	93 Å²	93	75.8 Å²	75.8	60%	0.604	42%	0.416	S	S	*	.	H	α-helix	trans	-55.1	-45.1	176	-27.9	34	0	0	0	113.6	N287 C293	N287-P289 VanDerWaalsContact OD1-CD 3.23Å; N287-P289 WeakPolarHBondContact OD1-CD 3.14Å; P289-C293 PolarHBondContact O-SG 2.89Å
290	L	80.8	Confident	70.9	Confident	30 Å²	30	71.9 Å²	71.9	16%	0.157	39%	0.39	C	S	.	.	H	α-helix	trans	-70.2	-42.2	178.3	-172.4	59.6	0	0	0	111.5	F36 N287 Q288 N292 C293 E332 V333	F36-L290 HydrophobicContact CE2-CD2 3.88Å; F36-L290 HydrophobicContact CE2-CG 4.46Å; F36-L290 HydrophobicContact CZ-CD2 4.03Å; N287-L290 HydrophobicContact CB-CB 4.06Å; N287-L290 PolarHBondContact O-N 2.61Å; N287-L290 PolarHBondContact OD1-N 2.89Å; N287-L290 VanDerWaalsContact OD1-N 3.13Å; Q288-L290 VanDerWaalsContact C-N 3.33Å; Q288-L290 PolarHBondContact O-N 3.32Å; L290-N292 VanDerWaalsContact C-N 3.3Å; L290-N292 PolarHBondContact O-N 3.48Å; L290-C293 WeakPolarHBondContact O-CB 3.36Å; L290-C293 PolarHBondContact O-N 2.93Å; L290-E332 WeakPolarHBondContact CD2-OE2 3.4Å; L290-V333 HydrophobicContact CD2-CG2 3.69Å; L290-V333 HydrophobicContact CG-CG2 3.95Å
291	T	83.4	Confident	73.6	Confident	25 Å²	25	63.4 Å²	63.4	15%	0.153	35%	0.35	C	S	.	.	H	α-helix	trans	-56.5	-42.8	175.5	-51.5	0	0	0	0	111.9	N287 Q288 C293 L294 V333 D334	N287-T291 WeakPolarHBondContact O-CB 3.43Å; N287-T291 PolarHBondContact O-N 3.05Å; N287-T291 PolarHBondContact O-OG1 3.23Å; Q288-T291 PolarHBondContact O-N 3.24Å; T291-C293 PolarHBondContact O-N 2.91Å; T291-L294 PolarHBondContact O-N 3.04Å; T291-V333 VanDerWaalsContact CA-CG1 3.5Å; T291-V333 HydrophobicContact CG2-CG1 3.95Å; T291-V333 VanDerWaalsContact OG1-CG1 3.22Å; T291-V333 WeakPolarHBondContact OG1-CG1 3.49Å; T291-D334 HydrophobicContact CG2-CB 4.16Å; T291-D334 PolarHBondContact OG1-N 3.47Å
292	N	82	Confident	75.9	Confident	127 Å²	127	60.4 Å²	60.4	68%	0.679	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-14.4	-179.9	-69.7	-23	0	0	0	114	Q288 L290	Q288-N292 WeakPolarHBondContact O-CB 3.21Å; Q288-N292 PolarHBondContact O-N 3.28Å; Q288-N292 PolarHBondContact O-ND2 3.41Å; L290-N292 VanDerWaalsContact C-N 3.3Å; L290-N292 PolarHBondContact O-N 3.48Å
293	C	80.7	Confident	78.6	Confident	102 Å²	102	55.8 Å²	55.8	69%	0.689	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-11.7	179.7	-70.8	0	0	0	0	113.1	P289 L290 T291	P289-C293 PolarHBondContact O-SG 2.89Å; L290-C293 WeakPolarHBondContact O-CB 3.36Å; L290-C293 PolarHBondContact O-N 2.93Å; T291-C293 PolarHBondContact O-N 2.91Å
294	L	81.5	Confident	80.9	Confident	21 Å²	21	50.1 Å²	50.1	11%	0.11	28%	0.284	C	S	.	.	S	Bend	trans	-93.6	147.4	-177.3	-66	161.6	0	0	0	110.8	F36 V76 T291 V333 I335	F36-L294 HydrophobicContact CB-CD1 4.21Å; F36-L294 HydrophobicContact CD2-CD1 4.09Å; F36-L294 HydrophobicContact CG-CD1 4.31Å; V76-L294 HydrophobicContact CG1-CD2 3.84Å; V76-L294 HydrophobicContact CG2-CD2 3.84Å; T291-L294 PolarHBondContact O-N 3.04Å; L294-V333 HydrophobicContact CD1-CG1 3.68Å; L294-V333 HydrophobicContact CD1-CG2 4.47Å; L294-I335 HydrophobicContact CB-CD1 3.76Å; L294-I335 HydrophobicContact CD1-CD1 3.23Å; L294-I335 HydrophobicContact CG-CD1 4.06Å
295	S	78.5	Confident	82.7	Confident	44 Å²	44	46.4 Å²	46.4	31%	0.308	27%	0.267	S	S	.	.			trans	-66.2	146.5	-177.1	57	0	0	0	0	112.8	G297 S298	S295-G297 PolarHBondContact O-N 2.95Å; S295-S298 PolarHBondContact N-OG 3.14Å; S295-S298 WeakPolarHBondContact O-CB 3.45Å; S295-S298 PolarHBondContact O-N 3.34Å; S295-S298 PolarHBondContact O-OG 3.19Å; S295-S298 VanDerWaalsContact O-OG 3.1Å; S295-S298 PolarHBondContact OG-OG 3.07Å
296	S	73.6	Confident	83.9	Confident	128 Å²	128	39.4 Å²	39.4	90%	0.895	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	108.8	171.4	55.5	0	0	0	0	109.9
297	G	78.5	Confident	84.3	Confident	48 Å²	48	41.2 Å²	41.2	50%	0.495	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	115	-0.2	-173	0	0	0	0	0	114.5	T33 S295	T33-G297 WeakPolarHBondContact CB-O 3.19Å; T33-G297 WeakPolarHBondContact CG2-O 3.5Å; S295-G297 PolarHBondContact O-N 2.95Å
298	S	83.3	Confident	84.5	Confident	3 Å²	3	40.6 Å²	40.6	2%	0.021	25%	0.251	C	S	.	.			trans	-58.7	145.5	170.5	-73.2	0	0	0	0	112.1	Q34 S295 I335	Q34-S298 WeakPolarHBondContact O-CA 2.9Å; Q34-S298 WeakPolarHBondContact O-CB 3.28Å; Q34-S298 PolarHBondContact O-OG 2.84Å; S295-S298 PolarHBondContact N-OG 3.14Å; S295-S298 WeakPolarHBondContact O-CB 3.45Å; S295-S298 PolarHBondContact O-N 3.34Å; S295-S298 PolarHBondContact O-OG 3.19Å; S295-S298 VanDerWaalsContact O-OG 3.1Å; S295-S298 PolarHBondContact OG-OG 3.07Å; S298-I335 VanDerWaalsContact O-CG2 3.28Å; S298-I335 WeakPolarHBondContact O-CG2 3.32Å
299	E	88.7	Confident	84.3	Confident	32 Å²	32	38.6 Å²	38.6	15%	0.15	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	158.3	172.7	-65.7	-172.5	162	0	0	108.9	Q34 M35 F36 P336 R338 Y374	Q34-E299 PolarHBondContact O-N 3.44Å; M35-E299 CarbonylContact C-O 3.59Å; M35-E299 VanDerWaalsContact CA-O 3.3Å; M35-E299 WeakPolarHBondContact CA-O 3.32Å; M35-E299 HydrophobicContact CE-CB 4.43Å; M35-E299 WeakPolarHBondContact CG-O 3.47Å; F36-E299 PolarHBondContact N-O 3.46Å; E299-P336 CarbonylContact C-O 3.57Å; E299-P336 WeakPolarHBondContact CA-O 3.48Å; E299-R338 HydrophobicContact CB-CB 4.21Å; E299-R338 IonicContact OE1-CZ 2.92Å; E299-R338 IonicContact OE1-NE 3.67Å; E299-R338 PolarHBondContact OE1-NE 2.87Å; E299-R338 IonicContact OE1-NH2 3.12Å; E299-R338 PolarHBondContact OE1-NH2 2.99Å; E299-R338 WeakPolarHBondContact OE2-CB 3.07Å; E299-R338 VanDerWaalsContact OE2-CG 3.3Å; E299-R338 WeakPolarHBondContact OE2-CG 3.43Å; E299-R338 IonicContact OE2-NE 3.71Å; E299-R338 PolarHBondContact OE2-NE 3.06Å; E299-R338 VanDerWaalsContact OE2-NE 3.12Å; E299-Y374 PolarHBondContact OE2-OH 3.19Å
300	A	90.2	Very high	84.3	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	145.2	179.4	0	0	0	0	0	112.8	F36 I335 P336 V337 R338	F36-A300 CarbonylContact O-C 3.56Å; F36-A300 VanDerWaalsContact O-CA 3.22Å; F36-A300 WeakPolarHBondContact O-CA 3.4Å; A300-I335 HydrophobicContact CB-CB 4.42Å; A300-I335 HydrophobicContact CB-CG2 3.91Å; A300-P336 PolarHBondContact N-O 3.34Å; A300-V337 HydrophobicContact CB-CG2 4.08Å; A300-V337 WeakPolarHBondContact O-CA 3.21Å; A300-R338 PolarHBondContact O-N 2.83Å
301	C	93.3	Very high	84.3	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	117.2	170.9	-180	0	0	0	0	108.7	M35 F36 I37 E38 F339 M364	M35-C301 HydrophobicContact CG-CB 4.36Å; M35-C301 HydrophobicContact SD-CB 3.81Å; F36-C301 PolarHBondContact O-N 3.02Å; I37-C301 VanDerWaalsContact CA-O 3.32Å; I37-C301 WeakPolarHBondContact CA-O 3.32Å; I37-C301 HydrophobicContact CG1-CB 4.23Å; I37-C301 HydrophobicContact CG2-CB 4.41Å; E38-C301 PolarHBondContact N-O 3.36Å; E38-C301 VanDerWaalsContact N-O 3.08Å; C301-F339 WeakPolarHBondContact CA-O 3.45Å; C301-F339 HydrophobicContact CB-CB 4.27Å; C301-M364 HydrophobicContact CB-CE 4.36Å
302	T	92.9	Very high	84.2	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	124	178.5	-52.2	0	0	0	0	110.2	I304 I330 F339 I340 F341	T302-I304 HydrophobicContact CG2-CD1 4.23Å; T302-I304 HydrophobicContact CG2-CG1 3.9Å; T302-I330 HydrophobicContact CG2-CD1 4.13Å; T302-I330 HydrophobicContact CG2-CG1 3.74Å; T302-F339 PolarHBondContact N-O 3.06Å; T302-I340 CarbonylContact O-C 3.52Å; T302-I340 VanDerWaalsContact O-CA 3.32Å; T302-I340 WeakPolarHBondContact O-CA 3.46Å; T302-F341 PolarHBondContact O-N 2.9Å
303	V	94.6	Very high	84.3	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	121.4	179.7	-173.2	0	0	0	0	107.9	I37 E38 L39 Q40 F341 A357 F360 A361	I37-V303 HydrophobicContact CG2-CG2 4.14Å; E38-V303 PolarHBondContact O-N 3.32Å; L39-V303 CarbonylContact C-O 3.6Å; L39-V303 WeakPolarHBondContact CA-O 3.28Å; L39-V303 HydrophobicContact CD1-CB 3.94Å; L39-V303 HydrophobicContact CD1-CG1 3.64Å; Q40-V303 PolarHBondContact N-O 3.11Å; V303-F341 CarbonylContact C-O 3.6Å; V303-F341 WeakPolarHBondContact CA-O 3.46Å; V303-F341 HydrophobicContact CG1-CB 4.43Å; V303-F341 HydrophobicContact CG1-CD1 3.76Å; V303-F341 HydrophobicContact CG2-CB 4.43Å; V303-A357 HydrophobicContact CG1-CB 3.77Å; V303-F360 HydrophobicContact CG2-CD1 4.12Å; V303-A361 HydrophobicContact CG2-CB 4.13Å
304	I	93.1	Very high	84.6	Confident	2 Å²	2	31.4 Å²	31.4	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	128.5	-174	-61.1	179.6	0	0	0	108.6	Q40 W69 T302 I330 I340 F341 I342 Y343	Q40-I304 HydrophobicContact CB-CG1 4.47Å; Q40-I304 WeakPolarHBondContact O-CA 3.29Å; W69-I304 HydrophobicContact CD2-CG2 3.97Å; W69-I304 HydrophobicContact CE3-CG2 3.42Å; W69-I304 VanDerWaalsContact CE3-CG2 3.42Å; W69-I304 HydrophobicContact CH2-CG2 3.2Å; W69-I304 HydrophobicContact CZ2-CG2 3.78Å; W69-I304 HydrophobicContact CZ3-CB 4.42Å; W69-I304 HydrophobicContact CZ3-CG2 3Å; T302-I304 HydrophobicContact CG2-CD1 4.23Å; T302-I304 HydrophobicContact CG2-CG1 3.9Å; I304-I330 HydrophobicContact CD1-CD1 3.75Å; I304-I330 HydrophobicContact CD1-CG1 4.23Å; I304-I340 HydrophobicContact CD1-CG2 4.33Å; I304-F341 PolarHBondContact N-O 3.05Å; I304-I342 WeakPolarHBondContact O-CA 3.44Å; I304-Y343 PolarHBondContact O-N 3.46Å
305	C	92.1	Very high	85	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.007	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	151.6	-179.6	68.4	0	0	0	0	113.2	Q40 E41 L42 W69 Y343 A357	Q40-C305 PolarHBondContact O-N 3.19Å; E41-C305 CarbonylContact C-O 3.51Å; E41-C305 VanDerWaalsContact CA-O 3.25Å; E41-C305 WeakPolarHBondContact CA-O 3.38Å; L42-C305 PolarHBondContact N-O 3.16Å; W69-C305 WeakPolarHBondContact CZ3-O 3.35Å; C305-Y343 WeakPolarHBondContact CA-O 3.3Å; C305-A357 HydrophobicContact CB-CB 3.65Å
306	G	86.4	Confident	85.6	Confident	5 Å²	5	28.5 Å²	28.5	5%	0.052	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.6	164.6	-178.8	0	0	0	0	0	115.2	Y343 I344 G345	G306-Y343 PolarHBondContact N-O 2.81Å; G306-I344 VanDerWaalsContact O-CA 3.26Å; G306-I344 WeakPolarHBondContact O-CA 3.09Å; G306-G345 PolarHBondContact O-N 3.36Å
307	L	83	Confident	86.5	Confident	75 Å²	75	22.4 Å²	22.4	39%	0.393	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	127.2	179.1	-67.8	170.2	0	0	0	110.8	G345 Q347 Y353	L307-G345 CarbonylContact C-O 3.56Å; L307-G345 WeakPolarHBondContact CA-O 3.36Å; L307-Q347 HydrophobicContact CD2-CB 4.46Å; L307-Y353 HydrophobicContact CD2-CD2 3.48Å; L307-Y353 VanDerWaalsContact CD2-CD2 3.48Å; L307-Y353 HydrophobicContact CD2-CE2 3.46Å; L307-Y353 VanDerWaalsContact CD2-CE2 3.46Å; L307-Y353 HydrophobicContact CG-CD2 4.41Å
308	I	82.2	Confident	87.2	Confident	2 Å²	2	20.1 Å²	20.1	1%	0.01	10%	0.103	C	C	.	.			trans	-137.8	96.4	174.6	-52.6	178.4	0	0	0	107.8	L42 F52 L149 I152 F310 L311 I344 G345	L42-I308 HydrophobicContact CD2-CD1 4.26Å; L42-I308 HydrophobicContact CD2-CG1 3.82Å; F52-I308 HydrophobicContact CZ-CG2 4.24Å; L149-I308 HydrophobicContact CD1-CD1 3.99Å; I152-I308 HydrophobicContact CD1-CD1 4.45Å; I152-I308 HydrophobicContact CD1-CG2 4.46Å; I152-I308 HydrophobicContact CG2-CD1 4.07Å; I308-F310 VanDerWaalsContact C-N 3.31Å; I308-F310 HydrophobicContact CG2-CD1 3.63Å; I308-F310 HydrophobicContact CG2-CD2 4.28Å; I308-F310 HydrophobicContact CG2-CE1 3.31Å; I308-F310 HydrophobicContact CG2-CE2 4.04Å; I308-F310 HydrophobicContact CG2-CG 4.06Å; I308-F310 HydrophobicContact CG2-CZ 3.53Å; I308-F310 PolarHBondContact O-N 2.92Å; I308-L311 HydrophobicContact CB-CD1 3.85Å; I308-L311 HydrophobicContact CB-CG 4.05Å; I308-L311 HydrophobicContact CD1-CD1 4.25Å; I308-L311 HydrophobicContact CG2-CD1 4.22Å; I308-L311 HydrophobicContact CG2-CG 3.93Å; I308-L311 WeakPolarHBondContact O-CB 3.17Å; I308-L311 PolarHBondContact O-N 3.24Å; I308-I344 HydrophobicContact CD1-CB 4.16Å; I308-I344 HydrophobicContact CD1-CD1 3.92Å; I308-I344 HydrophobicContact CD1-CG1 4.41Å; I308-G345 PolarHBondContact N-O 3.05Å; I308-G345 CarbonylContact O-C 3.51Å
309	E	73.7	Confident	87.6	Confident	73 Å²	73	20 Å²	20	34%	0.341	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-20.4	-173.9	-50.9	170.3	-170.3	0	0	115.2	F52 L311 Q347	F52-E309 HydrophobicContact CB-CB 4.3Å; F52-E309 WeakPolarHBondContact CB-OE2 3.42Å; F52-E309 HydrophobicContact CD1-CB 3.65Å; F52-E309 HydrophobicContact CD2-CB 3.37Å; F52-E309 HydrophobicContact CD2-CG 3.29Å; F52-E309 WeakPolarHBondContact CD2-OE2 3.49Å; F52-E309 HydrophobicContact CE1-CB 3.68Å; F52-E309 HydrophobicContact CE1-CG 4.48Å; F52-E309 HydrophobicContact CE2-CB 3.36Å; F52-E309 VanDerWaalsContact CE2-CD 3.47Å; F52-E309 HydrophobicContact CE2-CG 3.24Å; F52-E309 VanDerWaalsContact CE2-N 3.32Å; F52-E309 HydrophobicContact CG-CB 3.52Å; F52-E309 HydrophobicContact CG-CG 3.97Å; F52-E309 WeakPolarHBondContact CG-OE2 3.39Å; F52-E309 HydrophobicContact CZ-CB 3.59Å; F52-E309 HydrophobicContact CZ-CG 3.95Å; E309-L311 PolarHBondContact O-N 3.32Å; E309-Q347 HydrophobicContact CG-CB 4.49Å
310	F	77.2	Confident	87.8	Confident	26 Å²	26	20.9 Å²	20.9	11%	0.114	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-13.2	177.8	71.3	-113.8	0	0	0	112.9	F52 F57 Q145 V148 L149 I152 I308	F52-F310 HydrophobicContact CD1-CB 4.16Å; F52-F310 HydrophobicContact CE1-CB 3.81Å; F52-F310 AromaticContact CE1-CD1 3.63Å; F52-F310 HydrophobicContact CE1-CD1 3.63Å; F52-F310 HydrophobicContact CE1-CG 4.12Å; F52-F310 HydrophobicContact CZ-CD1 4.41Å; F57-F310 HydrophobicContact CD1-CD1 4.39Å; F57-F310 HydrophobicContact CD1-CE1 4.23Å; F57-F310 HydrophobicContact CD2-CD1 4.03Å; F57-F310 HydrophobicContact CE1-CD1 4.44Å; F57-F310 HydrophobicContact CE1-CE1 4.19Å; F57-F310 HydrophobicContact CE2-CD1 4.14Å; F57-F310 HydrophobicContact CG-CD1 4.15Å; F57-F310 HydrophobicContact CG-CE1 4.43Å; F57-F310 HydrophobicContact CZ-CD1 4.3Å; F57-F310 HydrophobicContact CZ-CE1 4.39Å; Q145-F310 HydrophobicContact CB-CD2 4.34Å; Q145-F310 HydrophobicContact CB-CE2 4.28Å; Q145-F310 HydrophobicContact CG-CD2 4.32Å; V148-F310 HydrophobicContact CB-CZ 4.49Å; V148-F310 HydrophobicContact CG1-CD1 4.39Å; V148-F310 HydrophobicContact CG1-CE1 3.51Å; V148-F310 HydrophobicContact CG1-CZ 3.82Å; L149-F310 HydrophobicContact CB-CE2 4.49Å; L149-F310 HydrophobicContact CB-CZ 4.21Å; I152-F310 HydrophobicContact CD1-CE1 3.8Å; I152-F310 HydrophobicContact CD1-CZ 4.14Å; I308-F310 VanDerWaalsContact C-N 3.31Å; I308-F310 HydrophobicContact CG2-CD1 3.63Å; I308-F310 HydrophobicContact CG2-CD2 4.28Å; I308-F310 HydrophobicContact CG2-CE1 3.31Å; I308-F310 HydrophobicContact CG2-CE2 4.04Å; I308-F310 HydrophobicContact CG2-CG 4.06Å; I308-F310 HydrophobicContact CG2-CZ 3.53Å; I308-F310 PolarHBondContact O-N 2.92Å
311	L	81.5	Confident	87.8	Confident	3 Å²	3	20.9 Å²	20.9	2%	0.016	10%	0.104	C	C	.	.			trans	-73.3	127.8	176.1	-66.2	179.4	0	0	0	109.8	I140 I308 E309 S313 I315 I344 P346	I140-L311 HydrophobicContact CD1-CD2 4.09Å; I140-L311 HydrophobicContact CG1-CD2 3.66Å; I308-L311 HydrophobicContact CB-CD1 3.85Å; I308-L311 HydrophobicContact CB-CG 4.05Å; I308-L311 HydrophobicContact CD1-CD1 4.25Å; I308-L311 HydrophobicContact CG2-CD1 4.22Å; I308-L311 HydrophobicContact CG2-CG 3.93Å; I308-L311 WeakPolarHBondContact O-CB 3.17Å; I308-L311 PolarHBondContact O-N 3.24Å; E309-L311 PolarHBondContact O-N 3.32Å; L311-S313 VanDerWaalsContact C-N 3.32Å; L311-I315 HydrophobicContact CD1-CD1 3.72Å; L311-I315 HydrophobicContact CD1-CG1 4.22Å; L311-I315 HydrophobicContact CD2-CD1 3.76Å; L311-I315 HydrophobicContact CG-CD1 4.41Å; L311-I344 HydrophobicContact CD1-CD1 4.49Å; L311-I344 HydrophobicContact CD1-CG1 4.11Å; L311-P346 WeakPolarHBondContact O-CB 3.24Å; L311-P346 WeakPolarHBondContact O-CG 3.41Å
312	K	82.1	Confident	87.4	Confident	130 Å²	130	24.2 Å²	24.2	57%	0.565	12%	0.121	S	C	*	.	S	Bend	trans	-68.4	-33.7	175.8	-76.5	-174	172.8	168.5	0	112.9	C139 Q141	C139-K312 PolarHBondContact O-N 3.15Å; Q141-K312 HydrophobicContact CG-CD 4.18Å; Q141-K312 HydrophobicContact CG-CG 4.45Å
313	S	84.2	Confident	87.1	Confident	42 Å²	42	30.3 Å²	30.3	29%	0.294	15%	0.148	S	C	.	.	S	Bend	trans	-140.6	151.7	-175.2	52.3	0	0	0	0	109.6	C139 L311	C139-S313 PolarHBondContact SG-OG 2.92Å; L311-S313 VanDerWaalsContact C-N 3.32Å
314	P	87.1	Confident	86.7	Confident	25 Å²	25	32.2 Å²	32.2	16%	0.162	16%	0.159	C	C	.	.			trans	-66.1	138.7	177.3	28.3	-34.6	0	0	0	111.1	Y343 I344 Y353	P314-Y343 HydrophobicContact CB-CE2 4.05Å; P314-I344 CarbonylContact C-O 3.52Å; P314-I344 WeakPolarHBondContact CA-O 3.34Å; P314-Y353 HydrophobicContact CB-CE1 4.07Å
315	I	89.3	Confident	86.3	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	111.9	172.3	-59.7	165.5	0	0	0	107.2	V130 A134 C139 L149 L311 V317 Y343 I344	V130-I315 HydrophobicContact CG1-CG2 4.21Å; A134-I315 HydrophobicContact CB-CD1 3.54Å; A134-I315 HydrophobicContact CB-CG1 4.16Å; C139-I315 HydrophobicContact CB-CD1 4.48Å; C139-I315 HydrophobicContact CB-CG1 4.12Å; L149-I315 HydrophobicContact CD2-CD1 3.95Å; L311-I315 HydrophobicContact CD1-CD1 3.72Å; L311-I315 HydrophobicContact CD1-CG1 4.22Å; L311-I315 HydrophobicContact CD2-CD1 3.76Å; L311-I315 HydrophobicContact CG-CD1 4.41Å; I315-V317 HydrophobicContact CG2-CG2 3.76Å; I315-Y343 WeakPolarHBondContact O-CA 3.39Å; I315-I344 HydrophobicContact CB-CD1 4.45Å; I315-I344 HydrophobicContact CB-CG1 3.84Å; I315-I344 HydrophobicContact CD1-CD1 4.09Å; I315-I344 HydrophobicContact CD1-CG1 4.16Å; I315-I344 HydrophobicContact CG1-CG1 4.47Å; I315-I344 HydrophobicContact CG2-CG1 4.49Å; I315-I344 PolarHBondContact N-O 2.97Å; I315-I344 PolarHBondContact O-N 3.24Å; I315-I344 VanDerWaalsContact O-N 3.08Å
316	L	90.8	Very high	85.8	Confident	2 Å²	2	39.1 Å²	39.1	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	99.3	177.6	178.4	61.2	0	0	0	109.5	L109 N112 L113 K114 F341 I342 Y343	L109-L316 HydrophobicContact CD2-CD1 4.32Å; L109-L316 HydrophobicContact CD2-CD2 3.85Å; L109-L316 HydrophobicContact CD2-CG 4.44Å; N112-L316 HydrophobicContact CB-CB 4.19Å; N112-L316 HydrophobicContact CB-CD2 3.99Å; L113-L316 HydrophobicContact CB-CD2 4.09Å; L113-L316 HydrophobicContact CB-CG 4.28Å; L113-L316 HydrophobicContact CD1-CD1 4.28Å; L113-L316 HydrophobicContact CD1-CD2 4.43Å; L113-L316 HydrophobicContact CD1-CG 3.85Å; K114-L316 PolarHBondContact N-O 3.23Å; L316-F341 HydrophobicContact CD1-CE1 4.04Å; L316-F341 HydrophobicContact CD1-CE2 3.84Å; L316-F341 HydrophobicContact CD1-CZ 3.38Å; L316-I342 WeakPolarHBondContact CA-O 3.48Å; L316-Y343 HydrophobicContact CB-CD2 3.84Å; L316-Y343 HydrophobicContact CB-CE2 4.07Å; L316-Y343 HydrophobicContact CD1-CD2 3.59Å; L316-Y343 HydrophobicContact CD1-CE2 4.16Å; L316-Y343 HydrophobicContact CD1-CG 3.83Å; L316-Y343 HydrophobicContact CD2-CE2 4.45Å; L316-Y343 HydrophobicContact CG-CD2 4.19Å; L316-Y343 HydrophobicContact CG-CE2 4.45Å
317	V	92.5	Very high	85.2	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	130.5	-172.3	177.7	0	0	0	0	110.6	K114 I116 V130 Y133 I315 L319 I342	K114-V317 WeakPolarHBondContact O-CA 3.49Å; I116-V317 HydrophobicContact CB-CG1 4.5Å; I116-V317 HydrophobicContact CD1-CG1 3.61Å; I116-V317 HydrophobicContact CG1-CG1 3.93Å; V130-V317 HydrophobicContact CG1-CG2 4.45Å; V130-V317 HydrophobicContact CG2-CG1 4.33Å; Y133-V317 HydrophobicContact CD1-CG2 3.52Å; Y133-V317 HydrophobicContact CE1-CG2 3.52Å; I315-V317 HydrophobicContact CG2-CG2 3.76Å; V317-L319 HydrophobicContact CG1-CD2 4Å; V317-L319 HydrophobicContact CG1-CG 4.16Å; V317-I342 PolarHBondContact N-O 2.78Å; V317-I342 PolarHBondContact O-N 3.22Å
318	L	93.6	Very high	84.8	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	106.3	165	176.9	64.8	0	0	0	108.7	L113 K114 I115 I116 R320 F341 F360 V373 I382	L113-L318 HydrophobicContact CD1-CB 4.05Å; K114-L318 PolarHBondContact O-N 3.49Å; I115-L318 WeakPolarHBondContact CA-O 3.3Å; I116-L318 PolarHBondContact N-O 2.85Å; L318-R320 PolarHBondContact O-N 3.4Å; L318-F341 HydrophobicContact CB-CD2 4.27Å; L318-F341 HydrophobicContact CD1-CB 4.29Å; L318-F341 HydrophobicContact CD1-CD2 4.15Å; L318-F360 HydrophobicContact CD1-CE1 4.37Å; L318-F360 HydrophobicContact CD1-CZ 3.89Å; L318-V373 HydrophobicContact CD2-CG1 4.07Å; L318-I382 HydrophobicContact CD2-CD1 3.69Å
319	L	92.2	Very high	84.4	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	113.8	170.3	-65.4	176.2	0	0	0	108.9	I116 A126 V130 V317 F339 I340 I342	I116-L319 HydrophobicContact CB-CD2 3.83Å; I116-L319 HydrophobicContact CD1-CD2 4.22Å; I116-L319 HydrophobicContact CG2-CD2 4.04Å; A126-L319 HydrophobicContact CB-CD1 4.25Å; V130-L319 HydrophobicContact CG2-CD1 3.64Å; V130-L319 HydrophobicContact CG2-CD2 3.74Å; V130-L319 HydrophobicContact CG2-CG 3.91Å; V317-L319 HydrophobicContact CG1-CD2 4Å; V317-L319 HydrophobicContact CG1-CG 4.16Å; L319-F339 WeakPolarHBondContact O-CA 3.24Å; L319-I340 HydrophobicContact CB-CB 4.09Å; L319-I340 WeakPolarHBondContact CB-O 3.49Å; L319-I340 HydrophobicContact CD1-CB 4.02Å; L319-I340 HydrophobicContact CD1-CD1 4.25Å; L319-I340 HydrophobicContact CD1-CG2 4.3Å; L319-I340 PolarHBondContact N-O 2.94Å; L319-I340 PolarHBondContact O-N 2.9Å; L319-I340 VanDerWaalsContact O-N 3.1Å; L319-I342 HydrophobicContact CD1-CD1 4.38Å
320	R	91.6	Very high	84.8	Confident	50 Å²	50	40.3 Å²	40.3	19%	0.189	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	110.4	172.1	176.5	175.7	161.4	-174.6	0.6	108.6	I116 Q117 T118 L318 N322 F339 Y374 S376	I116-R320 PolarHBondContact O-N 3.39Å; Q117-R320 WeakPolarHBondContact CA-O 3.37Å; T118-R320 PolarHBondContact N-O 2.87Å; T118-R320 VanDerWaalsContact N-O 3.11Å; L318-R320 PolarHBondContact O-N 3.4Å; R320-N322 PolarHBondContact O-N 3.22Å; R320-F339 HydrophobicContact CB-CD1 4.45Å; R320-F339 HydrophobicContact CB-CE1 4.41Å; R320-F339 HydrophobicContact CG-CD1 4.43Å; R320-F339 HydrophobicContact CG-CE1 3.96Å; R320-Y374 PolarHBondContact NH1-O 3.3Å; R320-Y374 PolarHBondContact NH2-O 2.74Å; R320-S376 PolarHBondContact NH1-O 2.87Å
321	L	90	Very high	85.1	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	115.8	-177.9	-54.8	172.2	0	0	0	109.9	T118 A126 K323 I325 V337 R338	T118-L321 HydrophobicContact CG2-CD2 3.34Å; A126-L321 HydrophobicContact CB-CD2 4.43Å; L321-K323 VanDerWaalsContact C-N 3.28Å; L321-K323 WeakPolarHBondContact CB-O 3.19Å; L321-K323 PolarHBondContact O-N 2.86Å; L321-I325 HydrophobicContact CD1-CB 4.45Å; L321-I325 HydrophobicContact CD1-CD1 3.82Å; L321-I325 HydrophobicContact CD1-CG1 3.93Å; L321-I325 HydrophobicContact CD2-CD1 3.88Å; L321-I325 HydrophobicContact CD2-CG1 4.42Å; L321-V337 HydrophobicContact CD1-CB 4.46Å; L321-V337 HydrophobicContact CD1-CG1 4.14Å; L321-V337 WeakPolarHBondContact CD1-O 3.16Å; L321-R338 VanDerWaalsContact CB-O 3.27Å; L321-R338 WeakPolarHBondContact CB-O 3.43Å; L321-R338 WeakPolarHBondContact CG-O 3.35Å; L321-R338 PolarHBondContact N-O 2.76Å; L321-R338 VanDerWaalsContact N-O 3.07Å; L321-R338 WeakPolarHBondContact O-CD 3.5Å; L321-R338 PolarHBondContact O-NH1 2.79Å
322	N	86	Confident	85.1	Confident	69 Å²	69	39 Å²	39	37%	0.369	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	-39.9	175.5	-76	-19.5	0	0	0	110.9	T118 D119 R320 R338	T118-N322 PolarHBondContact O-N 3Å; D119-N322 WeakPolarHBondContact OD1-CB 3.45Å; D119-N322 PolarHBondContact OD1-ND2 3.38Å; R320-N322 PolarHBondContact O-N 3.22Å; N322-R338 PolarHBondContact O-NH1 3.08Å
323	K	86.6	Confident	85.2	Confident	128 Å²	128	33 Å²	33	56%	0.557	16%	0.16	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-113	133	169.8	-66.6	177.9	-178.1	172.3	0	108.8	L121 L321	L121-K323 HydrophobicContact CD2-CD 3.91Å; L321-K323 VanDerWaalsContact C-N 3.28Å; L321-K323 WeakPolarHBondContact CB-O 3.19Å; L321-K323 PolarHBondContact O-N 2.86Å
324	T	85.9	Confident	85.3	Confident	40 Å²	40	33.5 Å²	33.5	25%	0.245	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	141.2	178.6	52.7	0	0	0	0	111.1	P336 V337 R338	T324-P336 HydrophobicContact CG2-CB 4.08Å; T324-P336 WeakPolarHBondContact OG1-CB 3.39Å; T324-V337 WeakPolarHBondContact CA-O 3.32Å; T324-V337 WeakPolarHBondContact CB-O 3.27Å; T324-R338 HydrophobicContact CG2-CB 4.05Å
325	I	85.1	Confident	85.2	Confident	4 Å²	4	33 Å²	33	2%	0.021	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	115.5	175.1	-59.4	167.5	0	0	0	107.2	A126 L321 V337	A126-I325 HydrophobicContact CB-CD1 4.09Å; L321-I325 HydrophobicContact CD1-CB 4.45Å; L321-I325 HydrophobicContact CD1-CD1 3.82Å; L321-I325 HydrophobicContact CD1-CG1 3.93Å; L321-I325 HydrophobicContact CD2-CD1 3.88Å; L321-I325 HydrophobicContact CD2-CG1 4.42Å; I325-V337 PolarHBondContact N-O 3Å; I325-V337 PolarHBondContact O-N 3.15Å
326	Q	81.6	Confident	85.1	Confident	144 Å²	144	34.8 Å²	34.8	67%	0.673	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.3	147.5	173.9	-63.4	-174.9	-4.6	0	0	110	S328 P336	Q326-S328 PolarHBondContact O-N 3.19Å; Q326-S328 VanDerWaalsContact O-N 3.15Å; Q326-P336 HydrophobicContact CG-CB 4.42Å
327	R	73.3	Confident	85.1	Confident	145 Å²	145	34.7 Å²	34.7	55%	0.547	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	39.4	177.6	-61.9	179.1	179.3	171.2	2.7	113.7	Y286 C329 D334	Y286-R327 WeakPolarHBondContact OH-CA 3.28Å; Y286-R327 PolarHBondContact OH-O 3.38Å; R327-C329 PolarHBondContact O-N 3.41Å; R327-D334 WeakPolarHBondContact CG-OD1 3.28Å
328	S	73.5	Confident	85	Confident	15 Å²	15	37.3 Å²	37.3	11%	0.105	18%	0.176	C	C	.	.			trans	-65.8	-17.8	-177.3	49.9	0	0	0	0	113.4	L123 Q326 I330 V337	L123-S328 WeakPolarHBondContact CD2-O 3.46Å; Q326-S328 PolarHBondContact O-N 3.19Å; Q326-S328 VanDerWaalsContact O-N 3.15Å; S328-I330 PolarHBondContact O-N 2.84Å; S328-I330 WeakPolarHBondContact OG-CG2 3.31Å; S328-V337 VanDerWaalsContact OG-CG2 3.28Å; S328-V337 WeakPolarHBondContact OG-CG2 3.35Å
329	C	74.5	Confident	85	Confident	20 Å²	20	37.3 Å²	37.3	14%	0.135	18%	0.176	C	C	.	.	S	Bend	trans	56.4	11.4	-172.2	-53.9	0	0	0	0	114.3	R157 H284 Y286 R327	R157-C329 WeakPolarHBondContact CD-O 3.26Å; H284-C329 VanDerWaalsContact CG-SG 3.58Å; H284-C329 WeakPolarHBondContact ND1-CB 3.19Å; Y286-C329 PolarHBondContact OH-N 3.38Å; Y286-C329 PolarHBondContact OH-SG 2.8Å; R327-C329 PolarHBondContact O-N 3.41Å
330	I	82.8	Confident	85.1	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	-84	-21.8	175.7	-167.6	166	0	0	0	112.1	Q40 L123 T302 I304 S328 V337 I340	Q40-I330 PolarHBondContact NE2-O 2.96Å; L123-I330 HydrophobicContact CD1-CB 4.26Å; L123-I330 HydrophobicContact CD1-CD1 3.55Å; L123-I330 HydrophobicContact CD1-CG1 4.41Å; L123-I330 HydrophobicContact CD2-CB 3.98Å; L123-I330 HydrophobicContact CD2-CD1 4.41Å; T302-I330 HydrophobicContact CG2-CD1 4.13Å; T302-I330 HydrophobicContact CG2-CG1 3.74Å; I304-I330 HydrophobicContact CD1-CD1 3.75Å; I304-I330 HydrophobicContact CD1-CG1 4.23Å; S328-I330 PolarHBondContact O-N 2.84Å; S328-I330 WeakPolarHBondContact OG-CG2 3.31Å; I330-V337 HydrophobicContact CG2-CG1 4.46Å; I330-V337 HydrophobicContact CG2-CG2 3.69Å; I330-I340 HydrophobicContact CD1-CD1 3.93Å; I330-I340 HydrophobicContact CD1-CG1 4.27Å; I330-I340 HydrophobicContact CD1-CG2 4.16Å
331	S	82.8	Confident	85.2	Confident	3 Å²	3	35 Å²	35	2%	0.021	17%	0.167	C	C	.	.	S	Bend	trans	-117.5	147.4	-177.5	164.8	0	0	0	0	109.4	E38 V333	E38-S331 WeakPolarHBondContact OE2-CA 3.45Å; S331-V333 PolarHBondContact O-N 3.08Å; S331-V333 VanDerWaalsContact O-N 3.15Å; S331-V333 PolarHBondContact OG-N 3.03Å; S331-V333 PolarHBondContact OG-O 2.96Å
332	E	81.9	Confident	85.3	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-58.9	-27.5	177	-164.8	-172.1	-175.5	0	0	112	E38 R74 H159 E161 V162 Y286 N287 L290	E38-E332 PolarHBondContact OE2-N 3.26Å; R74-E332 IonicContact NH1-OE2 2.8Å; R74-E332 PolarHBondContact NH1-OE2 3.11Å; R74-E332 VanDerWaalsContact NH1-OE2 3.09Å; H159-E332 HydrophobicContact CB-CB 4.3Å; H159-E332 HydrophobicContact CB-CG 3.73Å; H159-E332 PolarHBondContact CE1-N 3.31Å; H159-E332 VanDerWaalsContact CE1-N 3.3Å; H159-E332 WeakPolarHBondContact ND1-CB 3.3Å; E161-E332 WeakPolarHBondContact CB-OE1 3.49Å; V162-E332 HydrophobicContact CG2-CG 3.44Å; V162-E332 VanDerWaalsContact CG2-CG 3.44Å; V162-E332 WeakPolarHBondContact CG2-OE1 3.16Å; Y286-E332 CarbonylContact C-O 3.26Å; Y286-E332 WeakPolarHBondContact CA-O 3.26Å; N287-E332 HydrophobicContact CB-CG 3.64Å; N287-E332 VanDerWaalsContact CB-OE1 3.27Å; N287-E332 WeakPolarHBondContact CB-OE1 3.25Å; N287-E332 PolarHBondContact N-O 2.94Å; N287-E332 PolarHBondContact ND2-OE1 2.81Å; L290-E332 WeakPolarHBondContact CD2-OE2 3.4Å
333	V	84.5	Confident	85.6	Confident	2 Å²	2	31.7 Å²	31.7	1%	0.012	15%	0.15	C	C	.	.	S	Bend	trans	-105.6	138.2	-169.7	-167.7	0	0	0	0	111	F36 L290 T291 L294 S331 I335	F36-V333 HydrophobicContact CD1-CB 4.27Å; F36-V333 HydrophobicContact CD1-CG2 3.85Å; F36-V333 HydrophobicContact CD2-CG2 4.19Å; F36-V333 HydrophobicContact CE1-CB 4.26Å; F36-V333 HydrophobicContact CE1-CG2 3.48Å; F36-V333 VanDerWaalsContact CE1-CG2 3.48Å; F36-V333 HydrophobicContact CE2-CG2 3.87Å; F36-V333 HydrophobicContact CG-CG2 4.19Å; F36-V333 HydrophobicContact CZ-CG2 3.5Å; L290-V333 HydrophobicContact CD2-CG2 3.69Å; L290-V333 HydrophobicContact CG-CG2 3.95Å; T291-V333 VanDerWaalsContact CA-CG1 3.5Å; T291-V333 HydrophobicContact CG2-CG1 3.95Å; T291-V333 VanDerWaalsContact OG1-CG1 3.22Å; T291-V333 WeakPolarHBondContact OG1-CG1 3.49Å; L294-V333 HydrophobicContact CD1-CG1 3.68Å; L294-V333 HydrophobicContact CD1-CG2 4.47Å; S331-V333 PolarHBondContact O-N 3.08Å; S331-V333 VanDerWaalsContact O-N 3.15Å; S331-V333 PolarHBondContact OG-N 3.03Å; S331-V333 PolarHBondContact OG-O 2.96Å; V333-I335 HydrophobicContact CG1-CB 4.39Å; V333-I335 HydrophobicContact CG1-CD1 3.62Å; V333-I335 HydrophobicContact CG1-CG1 3.77Å; V333-I335 PolarHBondContact O-N 3.33Å
334	D	85.4	Confident	85.8	Confident	54 Å²	54	25.6 Å²	25.6	29%	0.289	12%	0.123	S	C	.	.			trans	-77.7	69.1	177	-169.2	17.4	0	0	0	111.4	Y286 T291 R327	Y286-D334 HydrophobicContact CD1-CB 3.86Å; Y286-D334 HydrophobicContact CD2-CB 3.86Å; Y286-D334 HydrophobicContact CE1-CB 4.22Å; Y286-D334 HydrophobicContact CE2-CB 4.24Å; Y286-D334 HydrophobicContact CG-CB 3.66Å; T291-D334 HydrophobicContact CG2-CB 4.16Å; T291-D334 PolarHBondContact OG1-N 3.47Å; R327-D334 WeakPolarHBondContact CG-OD1 3.28Å
335	I	84.9	Confident	85.8	Confident	13 Å²	13	23.7 Å²	23.7	7%	0.067	11%	0.112	C	C	.	.	S	Bend	trans	-127.4	143.4	-179.6	-75.9	178.5	0	0	0	109.9	L294 S298 A300 V333 V337	L294-I335 HydrophobicContact CB-CD1 3.76Å; L294-I335 HydrophobicContact CD1-CD1 3.23Å; L294-I335 HydrophobicContact CG-CD1 4.06Å; S298-I335 VanDerWaalsContact O-CG2 3.28Å; S298-I335 WeakPolarHBondContact O-CG2 3.32Å; A300-I335 HydrophobicContact CB-CB 4.42Å; A300-I335 HydrophobicContact CB-CG2 3.91Å; V333-I335 HydrophobicContact CG1-CB 4.39Å; V333-I335 HydrophobicContact CG1-CD1 3.62Å; V333-I335 HydrophobicContact CG1-CG1 3.77Å; V333-I335 PolarHBondContact O-N 3.33Å; I335-V337 PolarHBondContact O-N 3.43Å
336	P	88.9	Confident	85.7	Confident	39 Å²	39	24.4 Å²	24.4	25%	0.253	12%	0.117	S	C	.	.			trans	-56.2	119.2	175.4	20.5	-33.1	0	0	0	112.4	E299 A300 T324 Q326	E299-P336 CarbonylContact C-O 3.57Å; E299-P336 WeakPolarHBondContact CA-O 3.48Å; A300-P336 PolarHBondContact N-O 3.34Å; T324-P336 HydrophobicContact CG2-CB 4.08Å; T324-P336 WeakPolarHBondContact OG1-CB 3.39Å; Q326-P336 HydrophobicContact CG-CB 4.42Å
337	V	90.1	Very high	85.4	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	130.1	176	179.8	0	0	0	0	109.2	A300 L321 T324 I325 S328 I330 I335 I340	A300-V337 HydrophobicContact CB-CG2 4.08Å; A300-V337 WeakPolarHBondContact O-CA 3.21Å; L321-V337 HydrophobicContact CD1-CB 4.46Å; L321-V337 HydrophobicContact CD1-CG1 4.14Å; L321-V337 WeakPolarHBondContact CD1-O 3.16Å; T324-V337 WeakPolarHBondContact CA-O 3.32Å; T324-V337 WeakPolarHBondContact CB-O 3.27Å; I325-V337 PolarHBondContact N-O 3Å; I325-V337 PolarHBondContact O-N 3.15Å; S328-V337 VanDerWaalsContact OG-CG2 3.28Å; S328-V337 WeakPolarHBondContact OG-CG2 3.35Å; I330-V337 HydrophobicContact CG2-CG1 4.46Å; I330-V337 HydrophobicContact CG2-CG2 3.69Å; I335-V337 PolarHBondContact O-N 3.43Å; V337-I340 HydrophobicContact CG1-CD1 4.39Å; V337-I340 HydrophobicContact CG1-CG1 3.82Å
338	R	90.7	Very high	85.3	Confident	56 Å²	56	20.4 Å²	20.4	21%	0.211	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	-36.3	-180	175.9	65.9	85.3	174.2	8.4	113	E299 A300 L321 N322 T324 Y374	E299-R338 HydrophobicContact CB-CB 4.21Å; E299-R338 IonicContact OE1-CZ 2.92Å; E299-R338 IonicContact OE1-NE 3.67Å; E299-R338 PolarHBondContact OE1-NE 2.87Å; E299-R338 IonicContact OE1-NH2 3.12Å; E299-R338 PolarHBondContact OE1-NH2 2.99Å; E299-R338 WeakPolarHBondContact OE2-CB 3.07Å; E299-R338 VanDerWaalsContact OE2-CG 3.3Å; E299-R338 WeakPolarHBondContact OE2-CG 3.43Å; E299-R338 IonicContact OE2-NE 3.71Å; E299-R338 PolarHBondContact OE2-NE 3.06Å; E299-R338 VanDerWaalsContact OE2-NE 3.12Å; A300-R338 PolarHBondContact O-N 2.83Å; L321-R338 VanDerWaalsContact CB-O 3.27Å; L321-R338 WeakPolarHBondContact CB-O 3.43Å; L321-R338 WeakPolarHBondContact CG-O 3.35Å; L321-R338 PolarHBondContact N-O 2.76Å; L321-R338 VanDerWaalsContact N-O 3.07Å; L321-R338 WeakPolarHBondContact O-CD 3.5Å; L321-R338 PolarHBondContact O-NH1 2.79Å; N322-R338 PolarHBondContact O-NH1 3.08Å; T324-R338 HydrophobicContact CG2-CB 4.05Å; R338-Y374 HydrophobicContact CG-CE1 3.83Å
339	F	93.1	Very high	84.8	Confident	1 Å²	1	27.7 Å²	27.7	0%	0.004	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	137.2	-176.8	-59.1	-72.7	0	0	0	110	M35 C301 T302 L319 R320 M364 V373 Y374	M35-F339 HydrophobicContact CE-CD2 3.89Å; M35-F339 HydrophobicContact CE-CE2 3.88Å; C301-F339 WeakPolarHBondContact CA-O 3.45Å; C301-F339 HydrophobicContact CB-CB 4.27Å; T302-F339 PolarHBondContact N-O 3.06Å; L319-F339 WeakPolarHBondContact O-CA 3.24Å; R320-F339 HydrophobicContact CB-CD1 4.45Å; R320-F339 HydrophobicContact CB-CE1 4.41Å; R320-F339 HydrophobicContact CG-CD1 4.43Å; R320-F339 HydrophobicContact CG-CE1 3.96Å; F339-M364 HydrophobicContact CD2-CE 3.75Å; F339-M364 HydrophobicContact CE2-CE 4.08Å; F339-M364 HydrophobicContact CG-CE 4.36Å; F339-V373 HydrophobicContact CD1-CG1 4.07Å; F339-V373 HydrophobicContact CE1-CG1 3.72Å; F339-V373 HydrophobicContact CZ-CG1 3.97Å; F339-Y374 HydrophobicContact CE2-CD1 4.14Å; F339-Y374 HydrophobicContact CE2-CD2 4.32Å; F339-Y374 AromaticContact CE2-CE1 3.75Å; F339-Y374 HydrophobicContact CE2-CE1 3.75Å; F339-Y374 AromaticContact CE2-CE2 3.94Å; F339-Y374 HydrophobicContact CE2-CE2 3.94Å; F339-Y374 HydrophobicContact CE2-CG 4.4Å; F339-Y374 AromaticContact CE2-CZ 3.62Å; F339-Y374 AromaticContact CZ-CD1 3.63Å; F339-Y374 HydrophobicContact CZ-CD1 3.63Å; F339-Y374 HydrophobicContact CZ-CD2 4.21Å; F339-Y374 AromaticContact CZ-CE1 3.69Å; F339-Y374 HydrophobicContact CZ-CE1 3.69Å; F339-Y374 HydrophobicContact CZ-CE2 4.25Å; F339-Y374 AromaticContact CZ-CG 3.89Å; F339-Y374 HydrophobicContact CZ-CG 3.89Å; F339-Y374 AromaticContact CZ-CZ 3.99Å
340	I	93.2	Very high	84.3	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	117.1	169.2	-55.2	168.9	0	0	0	107.2	L123 T302 I304 L319 I330 V337 I342	L123-I340 HydrophobicContact CD1-CD1 3.94Å; T302-I340 CarbonylContact O-C 3.52Å; T302-I340 VanDerWaalsContact O-CA 3.32Å; T302-I340 WeakPolarHBondContact O-CA 3.46Å; I304-I340 HydrophobicContact CD1-CG2 4.33Å; L319-I340 HydrophobicContact CB-CB 4.09Å; L319-I340 WeakPolarHBondContact CB-O 3.49Å; L319-I340 HydrophobicContact CD1-CB 4.02Å; L319-I340 HydrophobicContact CD1-CD1 4.25Å; L319-I340 HydrophobicContact CD1-CG2 4.3Å; L319-I340 PolarHBondContact N-O 2.94Å; L319-I340 PolarHBondContact O-N 2.9Å; L319-I340 VanDerWaalsContact O-N 3.1Å; I330-I340 HydrophobicContact CD1-CD1 3.93Å; I330-I340 HydrophobicContact CD1-CG1 4.27Å; I330-I340 HydrophobicContact CD1-CG2 4.16Å; V337-I340 HydrophobicContact CG1-CD1 4.39Å; V337-I340 HydrophobicContact CG1-CG1 3.82Å; I340-I342 HydrophobicContact CG2-CD1 4.2Å; I340-I342 HydrophobicContact CG2-CG1 3.92Å
341	F	94.2	Very high	83.4	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	123.9	177	-178	-91.3	0	0	0	109	F105 L109 L113 T302 V303 I304 L316 L318 F360	F105-F341 HydrophobicContact CE2-CZ 4.21Å; F105-F341 HydrophobicContact CZ-CZ 4.15Å; L109-F341 HydrophobicContact CD2-CE2 4.25Å; L109-F341 HydrophobicContact CD2-CZ 4.3Å; L113-F341 HydrophobicContact CD1-CE2 4.18Å; T302-F341 PolarHBondContact O-N 2.9Å; V303-F341 CarbonylContact C-O 3.6Å; V303-F341 WeakPolarHBondContact CA-O 3.46Å; V303-F341 HydrophobicContact CG1-CB 4.43Å; V303-F341 HydrophobicContact CG1-CD1 3.76Å; V303-F341 HydrophobicContact CG2-CB 4.43Å; I304-F341 PolarHBondContact N-O 3.05Å; L316-F341 HydrophobicContact CD1-CE1 4.04Å; L316-F341 HydrophobicContact CD1-CE2 3.84Å; L316-F341 HydrophobicContact CD1-CZ 3.38Å; L318-F341 HydrophobicContact CB-CD2 4.27Å; L318-F341 HydrophobicContact CD1-CB 4.29Å; L318-F341 HydrophobicContact CD1-CD2 4.15Å; F341-F360 HydrophobicContact CB-CD1 3.83Å; F341-F360 HydrophobicContact CB-CE1 3.59Å; F341-F360 HydrophobicContact CB-CZ 4.38Å; F341-F360 AromaticContact CD1-CD1 3.95Å; F341-F360 HydrophobicContact CD1-CD1 3.95Å; F341-F360 HydrophobicContact CD1-CE1 4.49Å; F341-F360 HydrophobicContact CD1-CG 4.26Å; F341-F360 AromaticContact CD2-CD1 3.76Å; F341-F360 HydrophobicContact CD2-CD1 3.76Å; F341-F360 HydrophobicContact CD2-CD2 4.07Å; F341-F360 AromaticContact CD2-CE1 3.63Å; F341-F360 HydrophobicContact CD2-CE1 3.63Å; F341-F360 AromaticContact CD2-CE2 3.94Å; F341-F360 HydrophobicContact CD2-CE2 3.94Å; F341-F360 AromaticContact CD2-CG 3.97Å; F341-F360 HydrophobicContact CD2-CG 3.97Å; F341-F360 AromaticContact CD2-CZ 3.73Å; F341-F360 HydrophobicContact CD2-CZ 3.73Å; F341-F360 HydrophobicContact CE1-CB 4.17Å; F341-F360 HydrophobicContact CE1-CD1 4.36Å; F341-F360 HydrophobicContact CE1-CG 4.21Å; F341-F360 HydrophobicContact CE2-CD1 4.21Å; F341-F360 AromaticContact CE2-CD2 3.84Å; F341-F360 HydrophobicContact CE2-CD2 3.84Å; F341-F360 HydrophobicContact CE2-CE1 4.37Å; F341-F360 HydrophobicContact CE2-CE2 4Å; F341-F360 AromaticContact CE2-CG 3.94Å; F341-F360 HydrophobicContact CE2-CG 3.94Å; F341-F360 HydrophobicContact CE2-CZ 4.27Å; F341-F360 AromaticContact CG-CD1 3.57Å; F341-F360 HydrophobicContact CG-CD1 3.57Å; F341-F360 AromaticContact CG-CE1 3.66Å; F341-F360 HydrophobicContact CG-CE1 3.66Å; F341-F360 HydrophobicContact CG-CG 4.1Å; F341-F360 HydrophobicContact CG-CZ 4.25Å; F341-F360 HydrophobicContact CZ-CB 4.19Å; F341-F360 HydrophobicContact CZ-CD1 4.46Å; F341-F360 HydrophobicContact CZ-CD2 4.21Å; F341-F360 HydrophobicContact CZ-CG 4.02Å
342	I	93	Very high	83.1	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	124	-176.3	-57.3	174.6	0	0	0	108.4	L127 V130 I304 L316 V317 L319 I340 I344	L127-I342 HydrophobicContact CD2-CD1 4.05Å; V130-I342 HydrophobicContact CB-CD1 4.33Å; V130-I342 HydrophobicContact CG1-CD1 3.97Å; V130-I342 HydrophobicContact CG2-CD1 3.75Å; I304-I342 WeakPolarHBondContact O-CA 3.44Å; L316-I342 WeakPolarHBondContact CA-O 3.48Å; V317-I342 PolarHBondContact N-O 2.78Å; V317-I342 PolarHBondContact O-N 3.22Å; L319-I342 HydrophobicContact CD1-CD1 4.38Å; I340-I342 HydrophobicContact CG2-CD1 4.2Å; I340-I342 HydrophobicContact CG2-CG1 3.92Å; I342-I344 HydrophobicContact CG2-CD1 3.97Å; I342-I344 HydrophobicContact CG2-CG1 4.05Å; I342-I344 HydrophobicContact CG2-CG2 4.17Å
343	Y	91.6	Very high	83.3	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.008	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	92.4	173.3	-169	-146.7	0	0	0	112.3	I304 C305 G306 P314 I315 L316 L351 Y353 L356	I304-Y343 PolarHBondContact O-N 3.46Å; C305-Y343 WeakPolarHBondContact CA-O 3.3Å; G306-Y343 PolarHBondContact N-O 2.81Å; P314-Y343 HydrophobicContact CB-CE2 4.05Å; I315-Y343 WeakPolarHBondContact O-CA 3.39Å; L316-Y343 HydrophobicContact CB-CD2 3.84Å; L316-Y343 HydrophobicContact CB-CE2 4.07Å; L316-Y343 HydrophobicContact CD1-CD2 3.59Å; L316-Y343 HydrophobicContact CD1-CE2 4.16Å; L316-Y343 HydrophobicContact CD1-CG 3.83Å; L316-Y343 HydrophobicContact CD2-CE2 4.45Å; L316-Y343 HydrophobicContact CG-CD2 4.19Å; L316-Y343 HydrophobicContact CG-CE2 4.45Å; Y343-L351 WeakPolarHBondContact OH-CD2 3.21Å; Y343-Y353 AromaticContact CD1-CD1 3.63Å; Y343-Y353 HydrophobicContact CD1-CD1 3.63Å; Y343-Y353 HydrophobicContact CD1-CE1 4.49Å; Y343-Y353 HydrophobicContact CD1-CG 4.42Å; Y343-Y353 AromaticContact CD2-CD1 3.95Å; Y343-Y353 HydrophobicContact CD2-CD1 3.95Å; Y343-Y353 HydrophobicContact CD2-CE1 4.15Å; Y343-Y353 AromaticContact CE1-CD1 3.52Å; Y343-Y353 HydrophobicContact CE1-CD1 3.52Å; Y343-Y353 HydrophobicContact CE1-CE1 4.12Å; Y343-Y353 HydrophobicContact CE1-CG 4.33Å; Y343-Y353 AromaticContact CE2-CD1 3.88Å; Y343-Y353 HydrophobicContact CE2-CD1 3.88Å; Y343-Y353 AromaticContact CE2-CE1 3.77Å; Y343-Y353 HydrophobicContact CE2-CE1 3.77Å; Y343-Y353 AromaticContact CG-CD1 3.86Å; Y343-Y353 HydrophobicContact CG-CD1 3.86Å; Y343-Y353 AromaticContact CZ-CD1 3.67Å; Y343-Y353 AromaticContact CZ-CE1 3.77Å; Y343-L356 HydrophobicContact CD1-CB 4.18Å; Y343-L356 HydrophobicContact CE1-CB 3.86Å; Y343-L356 HydrophobicContact CE1-CD1 3.6Å; Y343-L356 HydrophobicContact CE1-CG 4.37Å
344	I	90	Very high	83.3	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	146	-176.6	58.9	-174.4	0	0	0	110.2	W69 L149 L153 G306 I308 L311 P314 I315 I342	W69-I344 HydrophobicContact CH2-CG2 4.04Å; L149-I344 HydrophobicContact CD1-CD1 3.91Å; L153-I344 HydrophobicContact CD2-CD1 4.18Å; G306-I344 VanDerWaalsContact O-CA 3.26Å; G306-I344 WeakPolarHBondContact O-CA 3.09Å; I308-I344 HydrophobicContact CD1-CB 4.16Å; I308-I344 HydrophobicContact CD1-CD1 3.92Å; I308-I344 HydrophobicContact CD1-CG1 4.41Å; L311-I344 HydrophobicContact CD1-CD1 4.49Å; L311-I344 HydrophobicContact CD1-CG1 4.11Å; P314-I344 CarbonylContact C-O 3.52Å; P314-I344 WeakPolarHBondContact CA-O 3.34Å; I315-I344 HydrophobicContact CB-CD1 4.45Å; I315-I344 HydrophobicContact CB-CG1 3.84Å; I315-I344 HydrophobicContact CD1-CD1 4.09Å; I315-I344 HydrophobicContact CD1-CG1 4.16Å; I315-I344 HydrophobicContact CG1-CG1 4.47Å; I315-I344 HydrophobicContact CG2-CG1 4.49Å; I315-I344 PolarHBondContact N-O 2.97Å; I315-I344 PolarHBondContact O-N 3.24Å; I315-I344 VanDerWaalsContact O-N 3.08Å; I342-I344 HydrophobicContact CG2-CD1 3.97Å; I342-I344 HydrophobicContact CG2-CG1 4.05Å; I342-I344 HydrophobicContact CG2-CG2 4.17Å
345	G	86.4	Confident	83.2	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.2	179.6	-178.9	0	0	0	0	0	114.1	G306 L307 I308 Y353	G306-G345 PolarHBondContact O-N 3.36Å; L307-G345 CarbonylContact C-O 3.56Å; L307-G345 WeakPolarHBondContact CA-O 3.36Å; I308-G345 PolarHBondContact N-O 3.05Å; I308-G345 CarbonylContact O-C 3.51Å; G345-Y353 WeakPolarHBondContact CA-OH 3.2Å
346	P	83.2	Confident	83.3	Confident	19 Å²	19	42.5 Å²	42.5	12%	0.123	22%	0.218	C	C	.	.			trans	-69.4	161.8	178.9	29.7	-34.8	0	0	0	112.1	L311 N348 Y353	L311-P346 WeakPolarHBondContact O-CB 3.24Å; L311-P346 WeakPolarHBondContact O-CG 3.41Å; P346-N348 PolarHBondContact O-N 3.04Å; P346-Y353 WeakPolarHBondContact O-CE2 3.47Å; P346-Y353 PolarHBondContact O-OH 2.61Å
347	Q	75.5	Confident	83.3	Confident	121 Å²	121	40.6 Å²	40.6	57%	0.565	21%	0.206	S	C	*	.			trans	-64.7	118.8	173.3	-170.9	172.2	2.4	0	0	110.2	L307 E309	L307-Q347 HydrophobicContact CD2-CB 4.46Å; E309-Q347 HydrophobicContact CG-CB 4.49Å
348	N	70.7	Confident	83.3	Confident	83 Å²	83	43.4 Å²	43.4	44%	0.444	22%	0.216	S	C	.	.			trans	-138.1	128.1	176.5	-94.5	-25.6	0	0	0	108.8	P346 E350 L351	P346-N348 PolarHBondContact O-N 3.04Å; N348-E350 PolarHBondContact O-N 3.23Å; N348-E350 VanDerWaalsContact O-N 3.1Å; N348-L351 HydrophobicContact CB-CB 4.02Å; N348-L351 HydrophobicContact CB-CD1 3.68Å; N348-L351 HydrophobicContact CB-CG 4.36Å; N348-L351 WeakPolarHBondContact ND2-CD1 2.91Å; N348-L351 PolarHBondContact O-N 2.99Å
349	D	62.9	Low	83.2	Confident	169 Å²	169	40.9 Å²	40.9	90%	0.904	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-23.2	-176.8	-68.3	-25.3	0	0	0	113.3
350	E	64	Low	83.1	Confident	174 Å²	174	40.9 Å²	40.9	81%	0.813	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-9.4	179.3	-61.2	-173.5	169.8	0	0	114.5	K108 N348	K108-E350 PolarHBondContact NZ-O 3.12Å; N348-E350 PolarHBondContact O-N 3.23Å; N348-E350 VanDerWaalsContact O-N 3.1Å
351	L	64.7	Low	83	Confident	30 Å²	30	40.9 Å²	40.9	16%	0.157	21%	0.207	C	C	.	.			trans	-119.6	92.5	-167.1	-78.3	149.7	0	0	0	111.2	K108 Y343 N348 Y353	K108-L351 HydrophobicContact CD-CD2 3.71Å; K108-L351 VanDerWaalsContact NZ-CD2 3.26Å; Y343-L351 WeakPolarHBondContact OH-CD2 3.21Å; N348-L351 HydrophobicContact CB-CB 4.02Å; N348-L351 HydrophobicContact CB-CD1 3.68Å; N348-L351 HydrophobicContact CB-CG 4.36Å; N348-L351 WeakPolarHBondContact ND2-CD1 2.91Å; N348-L351 PolarHBondContact O-N 2.99Å; L351-Y353 HydrophobicContact CB-CE2 4.1Å; L351-Y353 WeakPolarHBondContact O-CD2 3.48Å; L351-Y353 PolarHBondContact O-N 2.98Å
352	N	77.4	Confident	82.7	Confident	85 Å²	85	40.9 Å²	40.9	46%	0.455	21%	0.207	S	C	.	.			trans	-82.7	89.7	168.5	-166.1	-6.4	0	0	0	110.7	A354 E355 L356	N352-A354 VanDerWaalsContact C-N 3.3Å; N352-A354 PolarHBondContact O-N 3.46Å; N352-E355 HydrophobicContact CB-CB 4Å; N352-E355 WeakPolarHBondContact ND2-CB 3.18Å; N352-E355 PolarHBondContact ND2-OE2 2.88Å; N352-E355 PolarHBondContact O-N 3.28Å; N352-L356 WeakPolarHBondContact O-CG 3.36Å; N352-L356 PolarHBondContact O-N 2.93Å
353	Y	85.1	Confident	82.5	Confident	8 Å²	8	40.9 Å²	40.9	3%	0.031	21%	0.207	C	C	.	.	H	α-helix	trans	-56.6	-41.7	-178.4	-65.5	-83.2	0	0	0	112.8	L307 P314 Y343 G345 P346 L351 A357	L307-Y353 HydrophobicContact CD2-CD2 3.48Å; L307-Y353 VanDerWaalsContact CD2-CD2 3.48Å; L307-Y353 HydrophobicContact CD2-CE2 3.46Å; L307-Y353 VanDerWaalsContact CD2-CE2 3.46Å; L307-Y353 HydrophobicContact CG-CD2 4.41Å; P314-Y353 HydrophobicContact CB-CE1 4.07Å; Y343-Y353 AromaticContact CD1-CD1 3.63Å; Y343-Y353 HydrophobicContact CD1-CD1 3.63Å; Y343-Y353 HydrophobicContact CD1-CE1 4.49Å; Y343-Y353 HydrophobicContact CD1-CG 4.42Å; Y343-Y353 AromaticContact CD2-CD1 3.95Å; Y343-Y353 HydrophobicContact CD2-CD1 3.95Å; Y343-Y353 HydrophobicContact CD2-CE1 4.15Å; Y343-Y353 AromaticContact CE1-CD1 3.52Å; Y343-Y353 HydrophobicContact CE1-CD1 3.52Å; Y343-Y353 HydrophobicContact CE1-CE1 4.12Å; Y343-Y353 HydrophobicContact CE1-CG 4.33Å; Y343-Y353 AromaticContact CE2-CD1 3.88Å; Y343-Y353 HydrophobicContact CE2-CD1 3.88Å; Y343-Y353 AromaticContact CE2-CE1 3.77Å; Y343-Y353 HydrophobicContact CE2-CE1 3.77Å; Y343-Y353 AromaticContact CG-CD1 3.86Å; Y343-Y353 HydrophobicContact CG-CD1 3.86Å; Y343-Y353 AromaticContact CZ-CD1 3.67Å; Y343-Y353 AromaticContact CZ-CE1 3.77Å; G345-Y353 WeakPolarHBondContact CA-OH 3.2Å; P346-Y353 WeakPolarHBondContact O-CE2 3.47Å; P346-Y353 PolarHBondContact O-OH 2.61Å; L351-Y353 HydrophobicContact CB-CE2 4.1Å; L351-Y353 WeakPolarHBondContact O-CD2 3.48Å; L351-Y353 PolarHBondContact O-N 2.98Å; Y353-A357 VanDerWaalsContact O-CB 3.27Å; Y353-A357 WeakPolarHBondContact O-CB 3.43Å; Y353-A357 PolarHBondContact O-N 2.81Å
354	A	84.9	Confident	82.4	Confident	31 Å²	31	40.8 Å²	40.8	26%	0.256	21%	0.207	S	C	.	.	H	α-helix	trans	-66.9	-42.7	-178.4	0	0	0	0	0	112.3	N352 A357 R358	N352-A354 VanDerWaalsContact C-N 3.3Å; N352-A354 PolarHBondContact O-N 3.46Å; A354-A357 PolarHBondContact O-N 2.95Å; A354-R358 WeakPolarHBondContact O-CB 3.26Å; A354-R358 PolarHBondContact O-N 2.95Å
355	E	83.2	Confident	82.1	Confident	66 Å²	66	41 Å²	41	31%	0.308	21%	0.208	S	C	.	.	H	α-helix	trans	-66	-39.7	179	-175.6	174	-171.9	0	0	112.1	C101 N352 R358 I359	C101-E355 PolarHBondContact SG-OE1 2.75Å; N352-E355 HydrophobicContact CB-CB 4Å; N352-E355 WeakPolarHBondContact ND2-CB 3.18Å; N352-E355 PolarHBondContact ND2-OE2 2.88Å; N352-E355 PolarHBondContact O-N 3.28Å; E355-R358 PolarHBondContact O-N 3.49Å; E355-I359 HydrophobicContact CG-CD1 4.41Å; E355-I359 VanDerWaalsContact O-CG1 3.27Å; E355-I359 WeakPolarHBondContact O-CG1 3.5Å; E355-I359 PolarHBondContact O-N 2.89Å
356	L	85.6	Confident	81.8	Confident	8 Å²	8	41.7 Å²	41.7	4%	0.042	21%	0.211	C	C	.	.	H	α-helix	trans	-70.9	-38.9	177.9	-65.4	168.5	0	0	0	112.1	F105 K108 Y343 N352 R358 I359 F360	F105-L356 HydrophobicContact CB-CD2 3.67Å; F105-L356 HydrophobicContact CD2-CB 3.93Å; F105-L356 HydrophobicContact CD2-CD2 3.74Å; F105-L356 HydrophobicContact CD2-CG 4.37Å; F105-L356 HydrophobicContact CE2-CB 4.31Å; F105-L356 HydrophobicContact CG-CD2 4.13Å; K108-L356 HydrophobicContact CD-CD1 3.43Å; K108-L356 VanDerWaalsContact CD-CD1 3.43Å; K108-L356 HydrophobicContact CD-CD2 4.46Å; Y343-L356 HydrophobicContact CD1-CB 4.18Å; Y343-L356 HydrophobicContact CE1-CB 3.86Å; Y343-L356 HydrophobicContact CE1-CD1 3.6Å; Y343-L356 HydrophobicContact CE1-CG 4.37Å; N352-L356 WeakPolarHBondContact O-CG 3.36Å; N352-L356 PolarHBondContact O-N 2.93Å; L356-R358 VanDerWaalsContact C-N 3.35Å; L356-I359 HydrophobicContact CD2-CD1 4.32Å; L356-I359 PolarHBondContact O-N 3.16Å; L356-F360 PolarHBondContact O-N 3Å; L356-F360 VanDerWaalsContact O-N 3.08Å
357	A	89.7	Confident	81.6	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.9	-41.4	172.4	0	0	0	0	0	111.7	L39 V303 C305 Y353 A354 I359 F360 A361	L39-A357 HydrophobicContact CD1-CB 3.62Å; V303-A357 HydrophobicContact CG1-CB 3.77Å; C305-A357 HydrophobicContact CB-CB 3.65Å; Y353-A357 VanDerWaalsContact O-CB 3.27Å; Y353-A357 WeakPolarHBondContact O-CB 3.43Å; Y353-A357 PolarHBondContact O-N 2.81Å; A354-A357 PolarHBondContact O-N 2.95Å; A357-I359 PolarHBondContact O-N 3.05Å; A357-F360 PolarHBondContact O-N 3.32Å; A357-A361 PolarHBondContact O-N 3.04Å
358	R	90.5	Very high	81.7	Confident	58 Å²	58	39.2 Å²	39.2	22%	0.219	20%	0.203	C	C	.	.	H	α-helix	trans	-61.2	-42.1	173.3	-165.1	-178.1	83.2	100.7	0.3	111.9	L39 W75 E79 P96 A354 E355 L356 F360 A361 V362	L39-R358 HydrophobicContact CD2-CB 4.14Å; L39-R358 HydrophobicContact CD2-CG 4.48Å; W75-R358 HydrophobicContact CH2-CG 4.05Å; W75-R358 HydrophobicContact CZ2-CG 3.88Å; E79-R358 VanDerWaalsContact CD-NH1 3.3Å; E79-R358 WeakPolarHBondContact OE1-CD 3.44Å; E79-R358 IonicContact OE1-CZ 3.9Å; E79-R358 IonicContact OE1-NE 3.91Å; E79-R358 IonicContact OE1-NH1 2.59Å; E79-R358 PolarHBondContact OE1-NH1 2.83Å; E79-R358 IonicContact OE2-NH1 3.15Å; E79-R358 PolarHBondContact OE2-NH1 3.07Å; P96-R358 PolarHBondContact O-NH2 3.16Å; A354-R358 WeakPolarHBondContact O-CB 3.26Å; A354-R358 PolarHBondContact O-N 2.95Å; E355-R358 PolarHBondContact O-N 3.49Å; L356-R358 VanDerWaalsContact C-N 3.35Å; R358-F360 PolarHBondContact O-N 3.36Å; R358-A361 WeakPolarHBondContact O-CB 3.37Å; R358-A361 PolarHBondContact O-N 3.03Å; R358-V362 VanDerWaalsContact O-CG2 3.31Å; R358-V362 WeakPolarHBondContact O-CG2 3.49Å; R358-V362 PolarHBondContact O-N 3Å
359	I	88.4	Confident	82.5	Confident	4 Å²	4	35.3 Å²	35.3	2%	0.021	18%	0.182	C	C	.	.	H	α-helix	trans	-58.7	-47.5	175.5	-72.6	164.7	0	0	0	110.7	M97 C101 F105 E355 L356 A357 A361 V362 M363	M97-I359 HydrophobicContact CE-CB 4.34Å; M97-I359 HydrophobicContact CE-CG1 4.18Å; M97-I359 HydrophobicContact CE-CG2 3.76Å; C101-I359 HydrophobicContact CB-CD1 3.51Å; F105-I359 HydrophobicContact CB-CG2 4.22Å; F105-I359 HydrophobicContact CD1-CG2 3.57Å; F105-I359 HydrophobicContact CE1-CG2 4.08Å; F105-I359 HydrophobicContact CG-CG2 3.95Å; E355-I359 HydrophobicContact CG-CD1 4.41Å; E355-I359 VanDerWaalsContact O-CG1 3.27Å; E355-I359 WeakPolarHBondContact O-CG1 3.5Å; E355-I359 PolarHBondContact O-N 2.89Å; L356-I359 HydrophobicContact CD2-CD1 4.32Å; L356-I359 PolarHBondContact O-N 3.16Å; A357-I359 PolarHBondContact O-N 3.05Å; I359-A361 VanDerWaalsContact C-N 3.34Å; I359-A361 PolarHBondContact O-N 2.76Å; I359-V362 PolarHBondContact O-N 3.01Å; I359-M363 HydrophobicContact CG2-CG 4.49Å; I359-M363 HydrophobicContact CG2-SD 4.05Å; I359-M363 VanDerWaalsContact O-CG 3.26Å; I359-M363 WeakPolarHBondContact O-CG 3.45Å; I359-M363 PolarHBondContact O-N 3.49Å
360	F	91.5	Very high	83.6	Confident	1 Å²	1	28.7 Å²	28.7	0%	0.004	14%	0.144	C	C	.	.	H	α-helix	trans	-59.6	-44.4	175.9	-173.3	-100.6	0	0	0	112.2	F105 V303 L318 F341 L356 A357 R358 V362 M363 M364 F369	F105-F360 HydrophobicContact CE1-CB 4.2Å; F105-F360 HydrophobicContact CE1-CD2 4.2Å; F105-F360 HydrophobicContact CE2-CB 4.49Å; F105-F360 HydrophobicContact CZ-CB 3.69Å; F105-F360 AromaticContact CZ-CD2 3.86Å; F105-F360 HydrophobicContact CZ-CD2 3.86Å; F105-F360 HydrophobicContact CZ-CG 4.21Å; V303-F360 HydrophobicContact CG2-CD1 4.12Å; L318-F360 HydrophobicContact CD1-CE1 4.37Å; L318-F360 HydrophobicContact CD1-CZ 3.89Å; F341-F360 HydrophobicContact CB-CD1 3.83Å; F341-F360 HydrophobicContact CB-CE1 3.59Å; F341-F360 HydrophobicContact CB-CZ 4.38Å; F341-F360 AromaticContact CD1-CD1 3.95Å; F341-F360 HydrophobicContact CD1-CD1 3.95Å; F341-F360 HydrophobicContact CD1-CE1 4.49Å; F341-F360 HydrophobicContact CD1-CG 4.26Å; F341-F360 AromaticContact CD2-CD1 3.76Å; F341-F360 HydrophobicContact CD2-CD1 3.76Å; F341-F360 HydrophobicContact CD2-CD2 4.07Å; F341-F360 AromaticContact CD2-CE1 3.63Å; F341-F360 HydrophobicContact CD2-CE1 3.63Å; F341-F360 AromaticContact CD2-CE2 3.94Å; F341-F360 HydrophobicContact CD2-CE2 3.94Å; F341-F360 AromaticContact CD2-CG 3.97Å; F341-F360 HydrophobicContact CD2-CG 3.97Å; F341-F360 AromaticContact CD2-CZ 3.73Å; F341-F360 HydrophobicContact CD2-CZ 3.73Å; F341-F360 HydrophobicContact CE1-CB 4.17Å; F341-F360 HydrophobicContact CE1-CD1 4.36Å; F341-F360 HydrophobicContact CE1-CG 4.21Å; F341-F360 HydrophobicContact CE2-CD1 4.21Å; F341-F360 AromaticContact CE2-CD2 3.84Å; F341-F360 HydrophobicContact CE2-CD2 3.84Å; F341-F360 HydrophobicContact CE2-CE1 4.37Å; F341-F360 HydrophobicContact CE2-CE2 4Å; F341-F360 AromaticContact CE2-CG 3.94Å; F341-F360 HydrophobicContact CE2-CG 3.94Å; F341-F360 HydrophobicContact CE2-CZ 4.27Å; F341-F360 AromaticContact CG-CD1 3.57Å; F341-F360 HydrophobicContact CG-CD1 3.57Å; F341-F360 AromaticContact CG-CE1 3.66Å; F341-F360 HydrophobicContact CG-CE1 3.66Å; F341-F360 HydrophobicContact CG-CG 4.1Å; F341-F360 HydrophobicContact CG-CZ 4.25Å; F341-F360 HydrophobicContact CZ-CB 4.19Å; F341-F360 HydrophobicContact CZ-CD1 4.46Å; F341-F360 HydrophobicContact CZ-CD2 4.21Å; F341-F360 HydrophobicContact CZ-CG 4.02Å; L356-F360 PolarHBondContact O-N 3Å; L356-F360 VanDerWaalsContact O-N 3.08Å; A357-F360 PolarHBondContact O-N 3.32Å; R358-F360 PolarHBondContact O-N 3.36Å; F360-V362 PolarHBondContact O-N 3.24Å; F360-M363 PolarHBondContact O-N 3.04Å; F360-M364 HydrophobicContact CD1-CG 4.09Å; F360-M364 HydrophobicContact CE1-CG 3.64Å; F360-M364 HydrophobicContact CE1-SD 4.34Å; F360-M364 HydrophobicContact CE2-CG 4.46Å; F360-M364 HydrophobicContact CZ-CG 3.85Å; F360-M364 HydrophobicContact CZ-SD 4.04Å; F360-M364 WeakPolarHBondContact O-CG 3.25Å; F360-M364 PolarHBondContact O-N 3.33Å; F360-F369 HydrophobicContact CD2-CE1 4.48Å; F360-F369 HydrophobicContact CD2-CZ 4.48Å; F360-F369 HydrophobicContact CE2-CE1 4.14Å; F360-F369 HydrophobicContact CE2-CZ 4.19Å
361	A	91.5	Very high	84.6	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-59.6	-45	178.1	0	0	0	0	0	112.1	I37 W75 V303 A357 R358 I359 M364 T365	I37-A361 WeakPolarHBondContact CD1-O 3.35Å; I37-A361 HydrophobicContact CG2-CB 3.86Å; W75-A361 HydrophobicContact CD2-CB 4.34Å; W75-A361 HydrophobicContact CE3-CB 3.85Å; W75-A361 HydrophobicContact CH2-CB 3.7Å; W75-A361 HydrophobicContact CZ2-CB 4.17Å; W75-A361 HydrophobicContact CZ3-CB 3.53Å; V303-A361 HydrophobicContact CG2-CB 4.13Å; A357-A361 PolarHBondContact O-N 3.04Å; R358-A361 WeakPolarHBondContact O-CB 3.37Å; R358-A361 PolarHBondContact O-N 3.03Å; I359-A361 VanDerWaalsContact C-N 3.34Å; I359-A361 PolarHBondContact O-N 2.76Å; A361-M364 PolarHBondContact O-N 3.37Å; A361-T365 PolarHBondContact O-N 3.23Å
362	V	87.5	Confident	85.7	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65.2	-39.7	176.4	176.9	0	0	0	0	111.6	W75 P95 M97 R358 I359 F360 M364 T365	W75-V362 HydrophobicContact CZ2-CG2 4.08Å; P95-V362 HydrophobicContact CB-CB 4.43Å; P95-V362 HydrophobicContact CB-CG1 3.91Å; P95-V362 HydrophobicContact CB-CG2 3.54Å; P95-V362 HydrophobicContact CG-CB 4.32Å; P95-V362 HydrophobicContact CG-CG1 3.47Å; P95-V362 VanDerWaalsContact CG-CG1 3.47Å; P95-V362 HydrophobicContact CG-CG2 3.86Å; M97-V362 HydrophobicContact CG-CG1 4.28Å; M97-V362 HydrophobicContact SD-CB 3.78Å; M97-V362 HydrophobicContact SD-CG1 3.31Å; M97-V362 WeakPolarHBondContact SD-CG1 3.38Å; R358-V362 VanDerWaalsContact O-CG2 3.31Å; R358-V362 WeakPolarHBondContact O-CG2 3.49Å; R358-V362 PolarHBondContact O-N 3Å; I359-V362 PolarHBondContact O-N 3.01Å; F360-V362 PolarHBondContact O-N 3.24Å; V362-M364 VanDerWaalsContact C-N 3.33Å; V362-M364 PolarHBondContact O-N 2.86Å; V362-T365 WeakPolarHBondContact O-CB 3.46Å; V362-T365 PolarHBondContact O-N 3.25Å; V362-T365 PolarHBondContact O-OG1 3.42Å
363	M	87.9	Confident	86.3	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-65.9	-36.8	177.5	-67.9	-175.8	72.1	0	0	112.2	M97 F105 I359 F360 T365 N366 F369 I386 F389	M97-M363 HydrophobicContact CE-CG 4.35Å; F105-M363 HydrophobicContact CD1-SD 4.41Å; F105-M363 HydrophobicContact CE1-SD 4.37Å; I359-M363 HydrophobicContact CG2-CG 4.49Å; I359-M363 HydrophobicContact CG2-SD 4.05Å; I359-M363 VanDerWaalsContact O-CG 3.26Å; I359-M363 WeakPolarHBondContact O-CG 3.45Å; I359-M363 PolarHBondContact O-N 3.49Å; F360-M363 PolarHBondContact O-N 3.04Å; M363-T365 PolarHBondContact O-N 3.21Å; M363-N366 WeakPolarHBondContact O-CB 3.42Å; M363-N366 PolarHBondContact O-N 3.17Å; M363-F369 HydrophobicContact CB-CD1 3.66Å; M363-F369 HydrophobicContact CB-CD2 4.47Å; M363-F369 HydrophobicContact CB-CE1 3.71Å; M363-F369 HydrophobicContact CB-CG 4.04Å; M363-F369 HydrophobicContact CB-CZ 4.18Å; M363-F369 HydrophobicContact CE-CD2 3.65Å; M363-F369 HydrophobicContact CE-CE2 3.63Å; M363-F369 HydrophobicContact CE-CG 4.25Å; M363-F369 HydrophobicContact CE-CZ 4.17Å; M363-F369 WeakPolarHBondContact O-CB 3.27Å; M363-F369 VanDerWaalsContact O-CD1 3.24Å; M363-F369 WeakPolarHBondContact O-CD1 3.32Å; M363-I386 HydrophobicContact CE-CB 3.91Å; M363-I386 HydrophobicContact CE-CG1 3.59Å; M363-I386 HydrophobicContact CE-CG2 3.98Å; M363-I386 HydrophobicContact SD-CG1 4.45Å; M363-F389 HydrophobicContact CE-CB 3.88Å; M363-F389 HydrophobicContact CE-CD1 3.68Å; M363-F389 HydrophobicContact CE-CE1 4.36Å; M363-F389 HydrophobicContact CE-CG 3.79Å; M363-F389 HydrophobicContact CG-CD1 4.21Å; M363-F389 HydrophobicContact CG-CD2 4.5Å; M363-F389 HydrophobicContact CG-CE1 4.03Å; M363-F389 HydrophobicContact CG-CE2 4.32Å; M363-F389 HydrophobicContact CG-CG 4.44Å; M363-F389 HydrophobicContact CG-CZ 4.09Å
364	M	89.2	Confident	86.4	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-64.4	-19.8	175.9	-77.9	-63.9	-67.4	0	0	113.8	M35 I37 C301 F339 F360 A361 V362 N366 F369 R370 V373	M35-M364 HydrophobicContact CE-CE 4.31Å; M35-M364 HydrophobicContact SD-CE 3.63Å; I37-M364 HydrophobicContact CD1-CB 3.6Å; C301-M364 HydrophobicContact CB-CE 4.36Å; F339-M364 HydrophobicContact CD2-CE 3.75Å; F339-M364 HydrophobicContact CE2-CE 4.08Å; F339-M364 HydrophobicContact CG-CE 4.36Å; F360-M364 HydrophobicContact CD1-CG 4.09Å; F360-M364 HydrophobicContact CE1-CG 3.64Å; F360-M364 HydrophobicContact CE1-SD 4.34Å; F360-M364 HydrophobicContact CE2-CG 4.46Å; F360-M364 HydrophobicContact CZ-CG 3.85Å; F360-M364 HydrophobicContact CZ-SD 4.04Å; F360-M364 WeakPolarHBondContact O-CG 3.25Å; F360-M364 PolarHBondContact O-N 3.33Å; A361-M364 PolarHBondContact O-N 3.37Å; V362-M364 VanDerWaalsContact C-N 3.33Å; V362-M364 PolarHBondContact O-N 2.86Å; M364-N366 VanDerWaalsContact C-N 3.3Å; M364-F369 HydrophobicContact CG-CD1 4.47Å; M364-F369 HydrophobicContact CG-CE1 4.17Å; M364-F369 HydrophobicContact SD-CD1 4.08Å; M364-F369 HydrophobicContact SD-CE1 3.89Å; M364-R370 HydrophobicContact CE-CG 4.11Å; M364-R370 PolarHBondContact O-NH1 3.03Å; M364-V373 HydrophobicContact CE-CG1 4.41Å; M364-V373 HydrophobicContact SD-CB 4.08Å; M364-V373 HydrophobicContact SD-CG1 4.1Å; M364-V373 HydrophobicContact SD-CG2 3.8Å
365	T	84	Confident	86.4	Confident	3 Å²	3	27.1 Å²	27.1	2%	0.018	14%	0.136	C	C	.	.	H	α-helix	trans	-67.5	-35.6	172.3	82.7	0	0	0	0	110.4	H27 I37 W75 A361 V362 M363 D367 R370	H27-T365 WeakPolarHBondContact CE1-CB 3.18Å; H27-T365 PolarHBondContact CE1-O 3.2Å; H27-T365 PolarHBondContact CE1-OG1 3.03Å; H27-T365 PolarHBondContact ND1-O 3.12Å; H27-T365 VanDerWaalsContact NE2-CB 3.32Å; H27-T365 WeakPolarHBondContact NE2-CB 3.13Å; H27-T365 PolarHBondContact NE2-OG1 3.34Å; H27-T365 VanDerWaalsContact NE2-OG1 3.12Å; I37-T365 HydrophobicContact CD1-CG2 3.74Å; W75-T365 HydrophobicContact CB-CG2 3.77Å; W75-T365 HydrophobicContact CG-CG2 3.87Å; A361-T365 PolarHBondContact O-N 3.23Å; V362-T365 WeakPolarHBondContact O-CB 3.46Å; V362-T365 PolarHBondContact O-N 3.25Å; V362-T365 PolarHBondContact O-OG1 3.42Å; M363-T365 PolarHBondContact O-N 3.21Å; T365-D367 PolarHBondContact O-N 2.86Å; T365-R370 PolarHBondContact O-NH1 2.88Å
366	N	80.5	Confident	86.5	Confident	15 Å²	15	24 Å²	24	8%	0.08	12%	0.122	C	C	.	.	S	Bend	trans	-69.4	128.7	-179.9	175.9	-71.6	0	0	0	112.1	M363 M364 T368 F369 R370 F389	M363-N366 WeakPolarHBondContact O-CB 3.42Å; M363-N366 PolarHBondContact O-N 3.17Å; M364-N366 VanDerWaalsContact C-N 3.3Å; N366-T368 PolarHBondContact O-N 3.27Å; N366-T368 WeakPolarHBondContact OD1-CA 3.43Å; N366-T368 PolarHBondContact OD1-N 2.71Å; N366-T368 PolarHBondContact OD1-OG1 2.8Å; N366-F369 HydrophobicContact CB-CB 4.33Å; N366-F369 PolarHBondContact O-N 3.03Å; N366-F369 PolarHBondContact OD1-N 2.8Å; N366-R370 VanDerWaalsContact O-CB 3.26Å; N366-R370 WeakPolarHBondContact O-CB 3.34Å; N366-R370 PolarHBondContact O-N 3.09Å; N366-F389 HydrophobicContact CB-CD2 3.52Å; N366-F389 HydrophobicContact CB-CE2 3.69Å
367	D	78.2	Confident	86.4	Confident	40 Å²	40	29.6 Å²	29.6	21%	0.214	15%	0.151	C	C	.	.	H	α-helix	trans	-64.3	-37.4	-174.8	-57.6	-23.3	0	0	0	112.8	G29 T365 R370 L371	G29-D367 WeakPolarHBondContact CA-OD2 3.46Å; T365-D367 PolarHBondContact O-N 2.86Å; D367-R370 IonicContact OD1-CZ 3.52Å; D367-R370 IonicContact OD1-NH1 2.96Å; D367-R370 PolarHBondContact OD1-NH1 3.42Å; D367-R370 IonicContact OD1-NH2 3.23Å; D367-R370 PolarHBondContact OD1-NH2 3.15Å; D367-L371 VanDerWaalsContact O-CG 3.28Å; D367-L371 WeakPolarHBondContact O-CG 3.43Å; D367-L371 PolarHBondContact O-N 3.35Å
368	T	78.6	Confident	86.3	Confident	49 Å²	49	31.7 Å²	31.7	30%	0.301	17%	0.166	S	C	.	.	H	α-helix	trans	-72.1	-42.2	-178.3	58.9	0	0	0	0	111.5	N366 C372 D392	N366-T368 PolarHBondContact O-N 3.27Å; N366-T368 WeakPolarHBondContact OD1-CA 3.43Å; N366-T368 PolarHBondContact OD1-N 2.71Å; N366-T368 PolarHBondContact OD1-OG1 2.8Å; T368-C372 PolarHBondContact O-N 2.76Å; T368-C372 PolarHBondContact O-SG 3.37Å; T368-C372 VanDerWaalsContact O-SG 3.37Å; T368-D392 WeakPolarHBondContact CB-OD2 3.22Å; T368-D392 WeakPolarHBondContact CG2-OD2 3.41Å; T368-D392 PolarHBondContact OG1-OD2 3.38Å
369	F	86.9	Confident	86.2	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62.6	-46.5	172	-177.3	-102.5	0	0	0	111.9	F360 M363 M364 N366 L371 C372 V373 I382 G385 I386 F389	F360-F369 HydrophobicContact CD2-CE1 4.48Å; F360-F369 HydrophobicContact CD2-CZ 4.48Å; F360-F369 HydrophobicContact CE2-CE1 4.14Å; F360-F369 HydrophobicContact CE2-CZ 4.19Å; M363-F369 HydrophobicContact CB-CD1 3.66Å; M363-F369 HydrophobicContact CB-CD2 4.47Å; M363-F369 HydrophobicContact CB-CE1 3.71Å; M363-F369 HydrophobicContact CB-CG 4.04Å; M363-F369 HydrophobicContact CB-CZ 4.18Å; M363-F369 HydrophobicContact CE-CD2 3.65Å; M363-F369 HydrophobicContact CE-CE2 3.63Å; M363-F369 HydrophobicContact CE-CG 4.25Å; M363-F369 HydrophobicContact CE-CZ 4.17Å; M363-F369 WeakPolarHBondContact O-CB 3.27Å; M363-F369 VanDerWaalsContact O-CD1 3.24Å; M363-F369 WeakPolarHBondContact O-CD1 3.32Å; M364-F369 HydrophobicContact CG-CD1 4.47Å; M364-F369 HydrophobicContact CG-CE1 4.17Å; M364-F369 HydrophobicContact SD-CD1 4.08Å; M364-F369 HydrophobicContact SD-CE1 3.89Å; N366-F369 HydrophobicContact CB-CB 4.33Å; N366-F369 PolarHBondContact O-N 3.03Å; N366-F369 PolarHBondContact OD1-N 2.8Å; F369-L371 VanDerWaalsContact C-N 3.32Å; F369-L371 PolarHBondContact O-N 3.5Å; F369-C372 WeakPolarHBondContact O-CA 3.16Å; F369-C372 WeakPolarHBondContact O-CB 3.39Å; F369-C372 PolarHBondContact O-N 2.94Å; F369-C372 VanDerWaalsContact O-N 3.07Å; F369-V373 HydrophobicContact CD1-CG2 4.02Å; F369-V373 HydrophobicContact CE1-CG2 3.59Å; F369-V373 HydrophobicContact CE2-CG2 4.45Å; F369-V373 HydrophobicContact CZ-CG2 3.83Å; F369-V373 PolarHBondContact O-N 3.28Å; F369-I382 HydrophobicContact CE2-CG2 4.27Å; F369-I382 HydrophobicContact CZ-CG2 4.2Å; F369-G385 VanDerWaalsContact CD2-C 3.49Å; F369-I386 HydrophobicContact CE2-CG1 3.85Å; F369-F389 HydrophobicContact CB-CB 4.28Å; F369-F389 HydrophobicContact CB-CD2 4.49Å
370	R	87.3	Confident	86.3	Confident	30 Å²	30	35.2 Å²	35.2	11%	0.113	19%	0.19	C	C	.	.	H	α-helix	trans	-59.6	-41.2	-179.4	-178	168.1	65.5	-107.9	1.8	112	M35 M364 T365 N366 D367 V373 Y374	M35-R370 HydrophobicContact CE-CG 4.3Å; M35-R370 WeakPolarHBondContact SD-CD 3.45Å; M35-R370 HydrophobicContact SD-CG 4.35Å; M364-R370 HydrophobicContact CE-CG 4.11Å; M364-R370 PolarHBondContact O-NH1 3.03Å; T365-R370 PolarHBondContact O-NH1 2.88Å; N366-R370 VanDerWaalsContact O-CB 3.26Å; N366-R370 WeakPolarHBondContact O-CB 3.34Å; N366-R370 PolarHBondContact O-N 3.09Å; D367-R370 IonicContact OD1-CZ 3.52Å; D367-R370 IonicContact OD1-NH1 2.96Å; D367-R370 PolarHBondContact OD1-NH1 3.42Å; D367-R370 IonicContact OD1-NH2 3.23Å; D367-R370 PolarHBondContact OD1-NH2 3.15Å; R370-V373 WeakPolarHBondContact O-CB 3.46Å; R370-V373 PolarHBondContact O-N 2.99Å; R370-V373 VanDerWaalsContact O-N 3.16Å; R370-Y374 HydrophobicContact CG-CD2 4.01Å; R370-Y374 HydrophobicContact CG-CE2 3.68Å; R370-Y374 WeakPolarHBondContact O-CD2 3.41Å; R370-Y374 PolarHBondContact O-N 2.87Å
371	L	83.9	Confident	86.1	Confident	96 Å²	96	37.4 Å²	37.4	50%	0.503	20%	0.202	S	C	.	.	H	α-helix	trans	-60.9	-43.2	173.4	-74.1	170.7	0	0	0	112.1	D367 F369 V373 Y374 D375	D367-L371 VanDerWaalsContact O-CG 3.28Å; D367-L371 WeakPolarHBondContact O-CG 3.43Å; D367-L371 PolarHBondContact O-N 3.35Å; F369-L371 VanDerWaalsContact C-N 3.32Å; F369-L371 PolarHBondContact O-N 3.5Å; L371-V373 VanDerWaalsContact C-N 3.25Å; L371-V373 PolarHBondContact O-N 2.93Å; L371-Y374 WeakPolarHBondContact O-CB 3.22Å; L371-Y374 PolarHBondContact O-N 2.94Å; L371-Y374 VanDerWaalsContact O-N 3.16Å; L371-D375 PolarHBondContact O-N 3.4Å
372	C	87	Confident	86	Confident	27 Å²	27	37.4 Å²	37.4	18%	0.182	20%	0.202	C	C	.	.	H	α-helix	trans	-59.6	-36.8	173.8	-65.2	0	0	0	0	112.1	T368 F369 D375 S376	T368-C372 PolarHBondContact O-N 2.76Å; T368-C372 PolarHBondContact O-SG 3.37Å; T368-C372 VanDerWaalsContact O-SG 3.37Å; F369-C372 WeakPolarHBondContact O-CA 3.16Å; F369-C372 WeakPolarHBondContact O-CB 3.39Å; F369-C372 PolarHBondContact O-N 2.94Å; F369-C372 VanDerWaalsContact O-N 3.07Å; C372-D375 PolarHBondContact O-N 3.01Å; C372-S376 WeakPolarHBondContact O-CA 3.28Å; C372-S376 WeakPolarHBondContact O-CB 3.49Å; C372-S376 PolarHBondContact O-N 3.11Å
373	V	89.8	Confident	86.2	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-67.6	-39.9	175.6	176.2	0	0	0	0	111.8	L318 F339 M364 F369 R370 L371 D375 S376	L318-V373 HydrophobicContact CD2-CG1 4.07Å; F339-V373 HydrophobicContact CD1-CG1 4.07Å; F339-V373 HydrophobicContact CE1-CG1 3.72Å; F339-V373 HydrophobicContact CZ-CG1 3.97Å; M364-V373 HydrophobicContact CE-CG1 4.41Å; M364-V373 HydrophobicContact SD-CB 4.08Å; M364-V373 HydrophobicContact SD-CG1 4.1Å; M364-V373 HydrophobicContact SD-CG2 3.8Å; F369-V373 HydrophobicContact CD1-CG2 4.02Å; F369-V373 HydrophobicContact CE1-CG2 3.59Å; F369-V373 HydrophobicContact CE2-CG2 4.45Å; F369-V373 HydrophobicContact CZ-CG2 3.83Å; F369-V373 PolarHBondContact O-N 3.28Å; R370-V373 WeakPolarHBondContact O-CB 3.46Å; R370-V373 PolarHBondContact O-N 2.99Å; R370-V373 VanDerWaalsContact O-N 3.16Å; L371-V373 VanDerWaalsContact C-N 3.25Å; L371-V373 PolarHBondContact O-N 2.93Å; V373-D375 VanDerWaalsContact C-N 3.31Å; V373-D375 PolarHBondContact O-N 3.19Å; V373-S376 PolarHBondContact O-N 2.91Å; V373-S376 PolarHBondContact O-OG 2.95Å
374	Y	88.2	Confident	86.1	Confident	49 Å²	49	43.6 Å²	43.6	19%	0.192	23%	0.229	C	C	.	.	H	α-helix	trans	-61.2	-37.2	172.2	-82.5	-76.9	0	0	0	112.9	M35 E299 R320 R338 F339 R370 L371	M35-Y374 HydrophobicContact CE-CE2 4.31Å; M35-Y374 VanDerWaalsContact CE-OH 3.31Å; M35-Y374 WeakPolarHBondContact CE-OH 3.37Å; E299-Y374 PolarHBondContact OE2-OH 3.19Å; R320-Y374 PolarHBondContact NH1-O 3.3Å; R320-Y374 PolarHBondContact NH2-O 2.74Å; R338-Y374 HydrophobicContact CG-CE1 3.83Å; F339-Y374 HydrophobicContact CE2-CD1 4.14Å; F339-Y374 HydrophobicContact CE2-CD2 4.32Å; F339-Y374 AromaticContact CE2-CE1 3.75Å; F339-Y374 HydrophobicContact CE2-CE1 3.75Å; F339-Y374 AromaticContact CE2-CE2 3.94Å; F339-Y374 HydrophobicContact CE2-CE2 3.94Å; F339-Y374 HydrophobicContact CE2-CG 4.4Å; F339-Y374 AromaticContact CE2-CZ 3.62Å; F339-Y374 AromaticContact CZ-CD1 3.63Å; F339-Y374 HydrophobicContact CZ-CD1 3.63Å; F339-Y374 HydrophobicContact CZ-CD2 4.21Å; F339-Y374 AromaticContact CZ-CE1 3.69Å; F339-Y374 HydrophobicContact CZ-CE1 3.69Å; F339-Y374 HydrophobicContact CZ-CE2 4.25Å; F339-Y374 AromaticContact CZ-CG 3.89Å; F339-Y374 HydrophobicContact CZ-CG 3.89Å; F339-Y374 AromaticContact CZ-CZ 3.99Å; R370-Y374 HydrophobicContact CG-CD2 4.01Å; R370-Y374 HydrophobicContact CG-CE2 3.68Å; R370-Y374 WeakPolarHBondContact O-CD2 3.41Å; R370-Y374 PolarHBondContact O-N 2.87Å; L371-Y374 WeakPolarHBondContact O-CB 3.22Å; L371-Y374 PolarHBondContact O-N 2.94Å; L371-Y374 VanDerWaalsContact O-N 3.16Å
375	D	85.7	Confident	86	Confident	124 Å²	124	43.6 Å²	43.6	66%	0.663	23%	0.229	S	C	*	.	H	α-helix	trans	-89.7	-16.8	-177.1	-67.7	-24.3	0	0	0	112.9	L371 C372 V373 L377	L371-D375 PolarHBondContact O-N 3.4Å; C372-D375 PolarHBondContact O-N 3.01Å; V373-D375 VanDerWaalsContact C-N 3.31Å; V373-D375 PolarHBondContact O-N 3.19Å; D375-L377 PolarHBondContact O-N 2.89Å
376	S	84.4	Confident	86.2	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.229	C	C	.	.			trans	-59.8	122.1	-173.1	62.9	0	0	0	0	113.3	R320 C372 V373	R320-S376 PolarHBondContact NH1-O 2.87Å; C372-S376 WeakPolarHBondContact O-CA 3.28Å; C372-S376 WeakPolarHBondContact O-CB 3.49Å; C372-S376 PolarHBondContact O-N 3.11Å; V373-S376 PolarHBondContact O-N 2.91Å; V373-S376 PolarHBondContact O-OG 2.95Å
377	L	83.7	Confident	86.4	Confident	126 Å²	126	45.4 Å²	45.4	66%	0.66	24%	0.239	S	C	*	.	S	Bend	trans	-107.2	-21.3	168.2	-61	179.6	0	0	0	111.2	D375 D381	D375-L377 PolarHBondContact O-N 2.89Å; L377-D381 PolarHBondContact N-OD2 2.79Å
378	S	87.4	Confident	86.6	Confident	44 Å²	44	46.7 Å²	46.7	31%	0.308	25%	0.246	S	C	.	.	S	Bend	trans	-127.2	159.4	-178.3	71.5	0	0	0	0	111.3	I115 D380 D381	I115-S378 WeakPolarHBondContact CD1-O 3.03Å; S378-D380 PolarHBondContact O-N 3.47Å; S378-D381 PolarHBondContact N-OD2 2.85Å; S378-D381 PolarHBondContact O-N 2.65Å; S378-D381 PolarHBondContact OG-N 3.12Å; S378-D381 PolarHBondContact OG-OD2 3.5Å
379	V	88.5	Confident	86.8	Confident	37 Å²	37	44.5 Å²	44.5	22%	0.224	23%	0.232	C	C	.	.	H	α-helix	trans	-62.5	-33.3	174.2	178.8	0	0	0	0	110.8	L113 D381 I382 I383	L113-V379 HydrophobicContact CB-CG2 4.46Å; L113-V379 HydrophobicContact CD2-CG1 4.42Å; L113-V379 WeakPolarHBondContact O-CG2 3.3Å; V379-D381 PolarHBondContact O-N 3.44Å; V379-I382 WeakPolarHBondContact O-CB 3.39Å; V379-I382 PolarHBondContact O-N 3.43Å; V379-I382 VanDerWaalsContact O-N 3.1Å; V379-I383 HydrophobicContact CG1-CD1 4.19Å; V379-I383 HydrophobicContact CG1-CG1 4.49Å; V379-I383 WeakPolarHBondContact O-CG1 3.32Å; V379-I383 PolarHBondContact O-N 3.19Å
380	D	89.9	Confident	86.4	Confident	98 Å²	98	46 Å²	46	52%	0.524	24%	0.239	S	C	.	.	H	α-helix	trans	-61.5	-31.5	177.9	-67.4	-26.2	0	0	0	112.8	S378 I383 K384	S378-D380 PolarHBondContact O-N 3.47Å; D380-I383 PolarHBondContact O-N 2.66Å; D380-K384 WeakPolarHBondContact O-CG 3.42Å; D380-K384 PolarHBondContact O-N 3.39Å
381	D	88.5	Confident	85.7	Confident	47 Å²	47	52.1 Å²	52.1	25%	0.251	27%	0.269	S	S	.	.	H	α-helix	trans	-71.3	-34.4	177.3	-58.5	-40.1	0	0	0	111.7	L377 S378 V379 K384 G385	L377-D381 PolarHBondContact N-OD2 2.79Å; S378-D381 PolarHBondContact N-OD2 2.85Å; S378-D381 PolarHBondContact O-N 2.65Å; S378-D381 PolarHBondContact OG-N 3.12Å; S378-D381 PolarHBondContact OG-OD2 3.5Å; V379-D381 PolarHBondContact O-N 3.44Å; D381-K384 PolarHBondContact O-N 3.18Å; D381-K384 IonicContact OD1-NZ 3.82Å; D381-K384 PolarHBondContact OD1-NZ 3.21Å; D381-G385 PolarHBondContact O-N 3.06Å
382	I	89.5	Confident	84.9	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-67.4	-41.8	171.9	-61.8	179.7	0	0	0	109.8	L109 L113 I115 L318 F369 V379 K384 G385 I386	L109-I382 HydrophobicContact CD1-CG2 4.31Å; L113-I382 HydrophobicContact CD2-CD1 3.65Å; I115-I382 HydrophobicContact CD1-CD1 3.49Å; I115-I382 VanDerWaalsContact CD1-CD1 3.49Å; I115-I382 HydrophobicContact CD1-CG1 4.2Å; I115-I382 HydrophobicContact CG1-CD1 3.93Å; L318-I382 HydrophobicContact CD2-CD1 3.69Å; F369-I382 HydrophobicContact CE2-CG2 4.27Å; F369-I382 HydrophobicContact CZ-CG2 4.2Å; V379-I382 WeakPolarHBondContact O-CB 3.39Å; V379-I382 PolarHBondContact O-N 3.43Å; V379-I382 VanDerWaalsContact O-N 3.1Å; I382-K384 PolarHBondContact O-N 2.92Å; I382-G385 CarbonylContact O-C 3.6Å; I382-G385 WeakPolarHBondContact O-CA 3.31Å; I382-G385 PolarHBondContact O-N 3.4Å; I382-I386 WeakPolarHBondContact O-CG1 3.31Å; I382-I386 PolarHBondContact O-N 2.85Å
383	I	90.2	Very high	83.8	Confident	12 Å²	12	49.8 Å²	49.8	6%	0.062	26%	0.256	C	S	.	.	H	α-helix	trans	-61.8	-43.5	176.2	-64.6	171.1	0	0	0	111.1	Q110 V379 D380 G385 I386 D387	Q110-I383 HydrophobicContact CB-CD1 3.89Å; Q110-I383 HydrophobicContact CG-CD1 3.84Å; V379-I383 HydrophobicContact CG1-CD1 4.19Å; V379-I383 HydrophobicContact CG1-CG1 4.49Å; V379-I383 WeakPolarHBondContact O-CG1 3.32Å; V379-I383 PolarHBondContact O-N 3.19Å; D380-I383 PolarHBondContact O-N 2.66Å; I383-G385 VanDerWaalsContact C-N 3.25Å; I383-G385 PolarHBondContact O-N 2.53Å; I383-I386 WeakPolarHBondContact O-CB 3.41Å; I383-I386 PolarHBondContact O-N 3Å; I383-I386 VanDerWaalsContact O-N 3.09Å; I383-D387 PolarHBondContact O-N 3.41Å
384	K	87.1	Confident	82.4	Confident	118 Å²	118	53.8 Å²	53.8	51%	0.513	27%	0.274	S	S	.	.	H	α-helix	trans	-59.8	-38.5	171.5	-70.3	169.4	-164	157	0	111.5	D380 D381 I382 I386 D387 N388	D380-K384 WeakPolarHBondContact O-CG 3.42Å; D380-K384 PolarHBondContact O-N 3.39Å; D381-K384 PolarHBondContact O-N 3.18Å; D381-K384 IonicContact OD1-NZ 3.82Å; D381-K384 PolarHBondContact OD1-NZ 3.21Å; I382-K384 PolarHBondContact O-N 2.92Å; K384-I386 VanDerWaalsContact C-N 3.33Å; K384-I386 PolarHBondContact O-N 3.13Å; K384-D387 PolarHBondContact O-N 2.87Å; K384-N388 PolarHBondContact O-N 3.32Å
385	G	86.4	Confident	80.7	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-58.3	-42.5	172.2	0	0	0	0	0	112.6	F369 D381 I382 I383 N388 F389	F369-G385 VanDerWaalsContact CD2-C 3.49Å; D381-G385 PolarHBondContact O-N 3.06Å; I382-G385 CarbonylContact O-C 3.6Å; I382-G385 WeakPolarHBondContact O-CA 3.31Å; I382-G385 PolarHBondContact O-N 3.4Å; I383-G385 VanDerWaalsContact C-N 3.25Å; I383-G385 PolarHBondContact O-N 2.53Å; G385-N388 PolarHBondContact O-N 3.19Å; G385-F389 WeakPolarHBondContact O-CB 3.2Å; G385-F389 PolarHBondContact O-N 2.96Å
386	I	87.9	Confident	79	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-61	-46.3	174.7	-61.9	170.6	0	0	0	110.1	I102 R106 L109 M363 F369 I382 I383 K384 N388 F389 M390	I102-I386 HydrophobicContact CG2-CG2 4.19Å; R106-I386 HydrophobicContact CB-CD1 4.4Å; L109-I386 HydrophobicContact CD1-CD1 3.76Å; M363-I386 HydrophobicContact CE-CB 3.91Å; M363-I386 HydrophobicContact CE-CG1 3.59Å; M363-I386 HydrophobicContact CE-CG2 3.98Å; M363-I386 HydrophobicContact SD-CG1 4.45Å; F369-I386 HydrophobicContact CE2-CG1 3.85Å; I382-I386 WeakPolarHBondContact O-CG1 3.31Å; I382-I386 PolarHBondContact O-N 2.85Å; I383-I386 WeakPolarHBondContact O-CB 3.41Å; I383-I386 PolarHBondContact O-N 3Å; I383-I386 VanDerWaalsContact O-N 3.09Å; K384-I386 VanDerWaalsContact C-N 3.33Å; K384-I386 PolarHBondContact O-N 3.13Å; I386-N388 VanDerWaalsContact C-N 3.32Å; I386-N388 PolarHBondContact O-N 2.8Å; I386-F389 WeakPolarHBondContact O-CB 3.49Å; I386-F389 PolarHBondContact O-N 2.91Å; I386-M390 HydrophobicContact CG2-CG 4.37Å; I386-M390 WeakPolarHBondContact O-CB 3.23Å; I386-M390 WeakPolarHBondContact O-CG 3.49Å; I386-M390 PolarHBondContact O-N 3.38Å
387	D	85.7	Confident	77.1	Confident	55 Å²	55	55 Å²	55	29%	0.294	29%	0.291	S	S	.	.	H	α-helix	trans	-62.5	-38.9	178.9	-69.8	-31.8	0	0	0	111.6	R106 I383 K384 M390 Q391	R106-D387 IonicContact CZ-OD1 3.05Å; R106-D387 IonicContact CZ-OD2 3.53Å; R106-D387 IonicContact NH1-OD1 3Å; R106-D387 PolarHBondContact NH1-OD1 2.89Å; R106-D387 IonicContact NH1-OD2 2.79Å; R106-D387 IonicContact NH2-OD1 3.45Å; R106-D387 IonicContact NH2-OD2 3.62Å; R106-D387 PolarHBondContact NH2-OD2 3.19Å; R106-D387 VanDerWaalsContact NH2-OD2 3.15Å; I383-D387 PolarHBondContact O-N 3.41Å; K384-D387 PolarHBondContact O-N 2.87Å; D387-M390 WeakPolarHBondContact O-CB 3.33Å; D387-M390 PolarHBondContact O-N 3.05Å; D387-Q391 WeakPolarHBondContact O-CG 3.28Å; D387-Q391 PolarHBondContact O-N 3.05Å
388	N	82	Confident	75.2	Confident	67 Å²	67	54.3 Å²	54.3	36%	0.358	29%	0.287	S	S	.	.	H	α-helix	trans	-64.6	-46.8	173.9	-71.6	-20.2	0	0	0	112.2	K384 G385 I386 M390 Q391 D392	K384-N388 PolarHBondContact O-N 3.32Å; G385-N388 PolarHBondContact O-N 3.19Å; I386-N388 VanDerWaalsContact C-N 3.32Å; I386-N388 PolarHBondContact O-N 2.8Å; N388-M390 PolarHBondContact O-N 3.08Å; N388-Q391 PolarHBondContact O-N 3.16Å; N388-D392 PolarHBondContact O-N 2.93Å
389	F	83	Confident	73.1	Confident	3 Å²	3	55.7 Å²	55.7	1%	0.013	30%	0.297	C	S	.	.	H	α-helix	trans	-55	-39.4	172.9	173	-96.5	0	0	0	111	M97 M363 N366 F369 G385 I386 Q391 D392 S393	M97-F389 HydrophobicContact CE-CE1 4.35Å; M97-F389 HydrophobicContact SD-CZ 4.3Å; M363-F389 HydrophobicContact CE-CB 3.88Å; M363-F389 HydrophobicContact CE-CD1 3.68Å; M363-F389 HydrophobicContact CE-CE1 4.36Å; M363-F389 HydrophobicContact CE-CG 3.79Å; M363-F389 HydrophobicContact CG-CD1 4.21Å; M363-F389 HydrophobicContact CG-CD2 4.5Å; M363-F389 HydrophobicContact CG-CE1 4.03Å; M363-F389 HydrophobicContact CG-CE2 4.32Å; M363-F389 HydrophobicContact CG-CG 4.44Å; M363-F389 HydrophobicContact CG-CZ 4.09Å; N366-F389 HydrophobicContact CB-CD2 3.52Å; N366-F389 HydrophobicContact CB-CE2 3.69Å; F369-F389 HydrophobicContact CB-CB 4.28Å; F369-F389 HydrophobicContact CB-CD2 4.49Å; G385-F389 WeakPolarHBondContact O-CB 3.2Å; G385-F389 PolarHBondContact O-N 2.96Å; I386-F389 WeakPolarHBondContact O-CB 3.49Å; I386-F389 PolarHBondContact O-N 2.91Å; F389-Q391 VanDerWaalsContact C-N 3.33Å; F389-Q391 PolarHBondContact O-N 3.44Å; F389-D392 PolarHBondContact O-N 2.91Å; F389-S393 WeakPolarHBondContact O-CB 3.42Å; F389-S393 PolarHBondContact O-N 3.44Å; F389-S393 PolarHBondContact O-OG 2.99Å
390	M	78	Confident	70.9	Confident	32 Å²	32	64.8 Å²	64.8	16%	0.158	33%	0.327	C	S	.	.	H	α-helix	trans	-71.2	-25.8	179.3	-69.8	-61.8	-84.2	0	0	113.5	K23 F99 I102 I386 D387 N388	K23-M390 HydrophobicContact CD-CE 4.18Å; K23-M390 HydrophobicContact CD-SD 3.89Å; K23-M390 VanDerWaalsContact NZ-C 3.29Å; K23-M390 PolarHBondContact NZ-O 3.47Å; K23-M390 PolarHBondContact NZ-SD 3.01Å; F99-M390 HydrophobicContact CD2-CE 3.35Å; F99-M390 HydrophobicContact CE2-CE 3.13Å; F99-M390 HydrophobicContact CZ-CE 4.18Å; I102-M390 HydrophobicContact CD1-CE 4.02Å; I102-M390 HydrophobicContact CD1-SD 3.76Å; I102-M390 HydrophobicContact CG2-CE 4.24Å; I102-M390 HydrophobicContact CG2-CG 4.48Å; I102-M390 HydrophobicContact CG2-SD 4.01Å; I386-M390 HydrophobicContact CG2-CG 4.37Å; I386-M390 WeakPolarHBondContact O-CB 3.23Å; I386-M390 WeakPolarHBondContact O-CG 3.49Å; I386-M390 PolarHBondContact O-N 3.38Å; D387-M390 WeakPolarHBondContact O-CB 3.33Å; D387-M390 PolarHBondContact O-N 3.05Å; N388-M390 PolarHBondContact O-N 3.08Å
391	Q	73	Confident	68.8	Low	157 Å²	157	67.3 Å²	67.3	73%	0.734	34%	0.336	S	S	*	.	H	α-helix	trans	-78.7	-33	172.1	-68.4	174.2	17	0	0	111.9	D387 N388 F389	D387-Q391 WeakPolarHBondContact O-CG 3.28Å; D387-Q391 PolarHBondContact O-N 3.05Å; N388-Q391 PolarHBondContact O-N 3.16Å; F389-Q391 VanDerWaalsContact C-N 3.33Å; F389-Q391 PolarHBondContact O-N 3.44Å
392	D	66.2	Low	66.8	Low	61 Å²	61	68.8 Å²	68.8	33%	0.326	34%	0.338	S	S	.	.	H	α-helix	trans	-81.7	-20.4	-178	-84	-32.1	0	0	0	115	T368 N388 F389 R418	T368-D392 WeakPolarHBondContact CB-OD2 3.22Å; T368-D392 WeakPolarHBondContact CG2-OD2 3.41Å; T368-D392 PolarHBondContact OG1-OD2 3.38Å; N388-D392 PolarHBondContact O-N 2.93Å; F389-D392 PolarHBondContact O-N 2.91Å; D392-R418 IonicContact OD1-NH2 3.03Å; D392-R418 PolarHBondContact OD1-NH2 2.73Å
393	S	64.4	Low	64.7	Low	13 Å²	13	70.4 Å²	70.4	9%	0.091	35%	0.347	C	S	.	.	S	Bend	trans	-90.8	145.6	-175.9	44.8	0	0	0	0	112.9	K23 F389	K23-S393 WeakPolarHBondContact CD-OG 3.12Å; K23-S393 WeakPolarHBondContact CE-O 3.11Å; K23-S393 WeakPolarHBondContact CE-OG 3.12Å; K23-S393 PolarHBondContact NZ-OG 3.1Å; F389-S393 WeakPolarHBondContact O-CB 3.42Å; F389-S393 PolarHBondContact O-N 3.44Å; F389-S393 PolarHBondContact O-OG 2.99Å
394	F	60.5	Low	62.5	Low	85 Å²	85	72.1 Å²	72.1	37%	0.373	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	131.1	-174.5	-173.5	-99.2	0	0	0	111.4	K23 L24 M396 I414	K23-F394 WeakPolarHBondContact CA-O 3.39Å; K23-F394 VanDerWaalsContact CG-O 3.24Å; K23-F394 WeakPolarHBondContact CG-O 3.33Å; L24-F394 PolarHBondContact N-O 3.06Å; L24-F394 PolarHBondContact O-N 3.02Å; F394-M396 HydrophobicContact CD1-CG 3.86Å; F394-M396 HydrophobicContact CE1-CG 3.89Å; F394-M396 HydrophobicContact CE1-SD 4.18Å; F394-I414 HydrophobicContact CE2-CD1 4.34Å
395	V	53.4	Low	60.4	Low	76 Å²	76	70.3 Å²	70.3	46%	0.461	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	122.2	175.5	-177.1	0	0	0	0	109.4	K23	K23-V395 HydrophobicContact CD-CG2 4.18Å; K23-V395 HydrophobicContact CG-CG2 4.02Å
396	M	49.6	Very low	58.4	Low	23 Å²	23	71.5 Å²	71.5	11%	0.113	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	116.6	175.1	-78.5	-104.3	-68	0	0	110.4	Y22 L24 F394 L398 Y402 L407	Y22-M396 PolarHBondContact O-N 3.45Å; L24-M396 HydrophobicContact CD1-CE 4.07Å; L24-M396 HydrophobicContact CD1-CG 3.67Å; L24-M396 HydrophobicContact CD1-SD 4.21Å; L24-M396 HydrophobicContact CG-CG 4.25Å; F394-M396 HydrophobicContact CD1-CG 3.86Å; F394-M396 HydrophobicContact CE1-CG 3.89Å; F394-M396 HydrophobicContact CE1-SD 4.18Å; M396-L398 PolarHBondContact O-N 2.82Å; M396-Y402 HydrophobicContact CE-CD1 4.43Å; M396-Y402 HydrophobicContact CE-CE1 4.07Å; M396-L407 HydrophobicContact CE-CD1 3.06Å; M396-L407 HydrophobicContact SD-CD1 3.53Å; M396-L407 VanDerWaalsContact SD-CD1 3.53Å
397	P	44	Very low	56.3	Low	98 Å²	98	72 Å²	72	64%	0.636	37%	0.371	S	S	*	.			trans	-76.3	109.4	174	28.3	-30.4	0	0	0	109.8	S399 Y402	P397-S399 PolarHBondContact O-N 3.35Å; P397-Y402 PolarHBondContact O-OH 2.66Å
398	L	44.6	Very low	54.6	Low	112 Å²	112	70.7 Å²	70.7	59%	0.586	37%	0.368	S	S	*	.			trans	-54.1	106.7	-179.8	-66.2	163.4	0	0	0	111.7	E20 Y22 M396	E20-L398 WeakPolarHBondContact O-CD1 3.19Å; Y22-L398 HydrophobicContact CD2-CD1 3.54Å; Y22-L398 HydrophobicContact CD2-CD2 3.74Å; Y22-L398 HydrophobicContact CD2-CG 3.82Å; Y22-L398 HydrophobicContact CE2-CD1 3.5Å; Y22-L398 VanDerWaalsContact CE2-CD1 3.5Å; Y22-L398 HydrophobicContact CE2-CD2 4.08Å; Y22-L398 HydrophobicContact CE2-CG 4.21Å; M396-L398 PolarHBondContact O-N 2.82Å
399	S	42.6	Very low	52.9	Low	73 Å²	73	69.1 Å²	69.1	51%	0.51	37%	0.367	S	S	.	.			trans	-105.6	140.6	161.3	70.4	0	0	0	0	109.4	P397 H401 Y402	P397-S399 PolarHBondContact O-N 3.35Å; S399-H401 PolarHBondContact O-N 2.9Å; S399-Y402 PolarHBondContact N-OH 3.23Å; S399-Y402 VanDerWaalsContact N-OH 3.08Å; S399-Y402 WeakPolarHBondContact O-CD2 3.43Å; S399-Y402 WeakPolarHBondContact O-CE2 3.27Å
400	R	42.3	Very low	51.2	Low	228 Å²	228	73 Å²	73	86%	0.86	39%	0.387	S	S	*	.	S	Bend	trans	-53.2	-6.8	-159.9	-116.5	174.8	-178	165.7	0.4	119
401	H	45.4	Very low	49.6	Very low	151 Å²	151	72.5 Å²	72.5	70%	0.699	39%	0.386	S	S	*	.			trans	-151.1	96.9	-174.8	-63.5	-54.8	0	0	0	111.3	S399	S399-H401 PolarHBondContact O-N 2.9Å
402	Y	46.8	Very low	48.5	Very low	79 Å²	79	73 Å²	73	31%	0.31	38%	0.381	S	S	.	.			trans	-91.7	141	171.9	-72.9	-79.3	0	0	0	112.1	M396 P397 S399	M396-Y402 HydrophobicContact CE-CD1 4.43Å; M396-Y402 HydrophobicContact CE-CE1 4.07Å; P397-Y402 PolarHBondContact O-OH 2.66Å; S399-Y402 PolarHBondContact N-OH 3.23Å; S399-Y402 VanDerWaalsContact N-OH 3.08Å; S399-Y402 WeakPolarHBondContact O-CD2 3.43Å; S399-Y402 WeakPolarHBondContact O-CE2 3.27Å
403	N	45.7	Very low	47.6	Very low	34 Å²	34	73.9 Å²	73.9	18%	0.182	38%	0.383	C	S	.	.			trans	-107.1	120.8	168	-176.5	13.5	0	0	0	106.2	N405 A406 R1090 T1091	N403-N405 PolarHBondContact O-N 3.22Å; N403-N405 PolarHBondContact OD1-ND2 3.44Å; N403-A406 HydrophobicContact CB-CB 4.42Å; N403-A406 WeakPolarHBondContact O-CB 3.15Å; N403-A406 PolarHBondContact O-N 3.22Å; N403-R1090 WeakPolarHBondContact ND2-CB 3.37Å; N403-R1090 PolarHBondContact ND2-O 2.97Å; N403-T1091 HydrophobicContact CB-CG2 3.88Å
404	A	43.6	Very low	46.8	Very low	47 Å²	47	77 Å²	77	39%	0.388	40%	0.398	S	S	.	.	H	α-helix	trans	-49.2	-32.4	-177.8	0	0	0	0	0	113	L407 A408	A404-L407 PolarHBondContact O-N 3.24Å; A404-A408 PolarHBondContact O-N 3.27Å; A404-A408 VanDerWaalsContact O-N 3.16Å
405	N	43	Very low	46.3	Very low	81 Å²	81	77.3 Å²	77.3	43%	0.433	40%	0.4	S	S	.	.	H	α-helix	trans	-69.6	-30.7	177.8	-60.1	-60.2	0	0	0	114.7	N403 A408 G409 V1088	N403-N405 PolarHBondContact O-N 3.22Å; N403-N405 PolarHBondContact OD1-ND2 3.44Å; N405-A408 PolarHBondContact O-N 2.93Å; N405-G409 PolarHBondContact O-N 3.41Å; N405-V1088 HydrophobicContact CB-CB 4.3Å; N405-V1088 HydrophobicContact CB-CG1 3.36Å; N405-V1088 HydrophobicContact CB-CG2 3.91Å
406	A	44.5	Very low	46.1	Very low	24 Å²	24	75.1 Å²	75.1	20%	0.198	39%	0.39	C	S	.	.	H	α-helix	trans	-71.7	-36.1	177.6	0	0	0	0	0	111.1	N403 G409 M410 T1091	N403-A406 HydrophobicContact CB-CB 4.42Å; N403-A406 WeakPolarHBondContact O-CB 3.15Å; N403-A406 PolarHBondContact O-N 3.22Å; A406-G409 PolarHBondContact O-N 2.92Å; A406-M410 PolarHBondContact O-N 3.39Å; A406-T1091 WeakPolarHBondContact CB-OG1 3.34Å
407	L	44.9	Very low	46	Very low	12 Å²	12	80.8 Å²	80.8	6%	0.063	41%	0.412	C	S	.	.	H	α-helix	trans	-64.5	-43.4	172.9	-159.1	93	0	0	0	111.9	L5 V7 M396 A404 G409 M410 T411	L5-L407 HydrophobicContact CD2-CD2 4.48Å; V7-L407 HydrophobicContact CG2-CD2 3.29Å; M396-L407 HydrophobicContact CE-CD1 3.06Å; M396-L407 HydrophobicContact SD-CD1 3.53Å; M396-L407 VanDerWaalsContact SD-CD1 3.53Å; A404-L407 PolarHBondContact O-N 3.24Å; L407-G409 PolarHBondContact O-N 3.09Å; L407-M410 PolarHBondContact O-N 3.22Å; L407-T411 PolarHBondContact O-N 3.25Å; L407-T411 PolarHBondContact O-OG1 3.22Å
408	A	48.3	Very low	45.9	Very low	29 Å²	29	81 Å²	81	24%	0.24	40%	0.399	C	S	.	.	H	α-helix	trans	-60.9	-32.6	174.1	0	0	0	0	0	112.3	A404 N405 T411 R412	A404-A408 PolarHBondContact O-N 3.27Å; A404-A408 VanDerWaalsContact O-N 3.16Å; N405-A408 PolarHBondContact O-N 2.93Å; A408-T411 VanDerWaalsContact CA-OG1 3.27Å; A408-T411 WeakPolarHBondContact CA-OG1 3.42Å; A408-T411 PolarHBondContact O-OG1 3.02Å; A408-R412 WeakPolarHBondContact O-CB 3.42Å; A408-R412 WeakPolarHBondContact O-CG 3.26Å; A408-R412 PolarHBondContact O-N 3.33Å
409	G	46.7	Very low	46	Very low	33 Å²	33	82.5 Å²	82.5	34%	0.34	40%	0.401	S	S	.	.	H	α-helix	trans	-67.8	-47.8	172.7	0	0	0	0	0	112.7	N405 A406 L407 R412 Q413	N405-G409 PolarHBondContact O-N 3.41Å; A406-G409 PolarHBondContact O-N 2.92Å; L407-G409 PolarHBondContact O-N 3.09Å; G409-R412 PolarHBondContact O-N 3.23Å; G409-Q413 PolarHBondContact O-N 3.38Å
410	M	47.7	Very low	46	Very low	85 Å²	85	83.2 Å²	83.2	42%	0.419	40%	0.397	S	S	.	.	H	α-helix	trans	-65.7	-43.1	179.1	-72.6	178.1	108.3	0	0	112.3	A406 L407 R412 Q413 I414	A406-M410 PolarHBondContact O-N 3.39Å; L407-M410 PolarHBondContact O-N 3.22Å; M410-R412 PolarHBondContact O-N 3.33Å; M410-Q413 PolarHBondContact O-N 3.25Å; M410-I414 VanDerWaalsContact O-CG1 3.26Å; M410-I414 WeakPolarHBondContact O-CG1 3.47Å; M410-I414 PolarHBondContact O-N 3.45Å
411	T	45.7	Very low	46	Very low	22 Å²	22	74.7 Å²	74.7	14%	0.135	37%	0.37	C	S	.	.	H	α-helix	trans	-59.6	-44.3	175.9	26.8	0	0	0	0	111.9	F26 L407 A408 Q413 I414 E415	F26-T411 HydrophobicContact CD1-CG2 3.93Å; F26-T411 HydrophobicContact CD2-CG2 4.44Å; F26-T411 HydrophobicContact CE1-CG2 3.25Å; F26-T411 HydrophobicContact CE2-CG2 3.83Å; F26-T411 HydrophobicContact CG-CG2 4.49Å; F26-T411 HydrophobicContact CZ-CG2 3.19Å; L407-T411 PolarHBondContact O-N 3.25Å; L407-T411 PolarHBondContact O-OG1 3.22Å; A408-T411 VanDerWaalsContact CA-OG1 3.27Å; A408-T411 WeakPolarHBondContact CA-OG1 3.42Å; A408-T411 PolarHBondContact O-OG1 3.02Å; T411-Q413 PolarHBondContact O-N 2.94Å; T411-I414 PolarHBondContact O-N 3.2Å; T411-E415 WeakPolarHBondContact O-CB 3.48Å; T411-E415 WeakPolarHBondContact O-CG 3.38Å; T411-E415 PolarHBondContact O-N 3.33Å
412	R	48.3	Very low	45.8	Very low	166 Å²	166	70.6 Å²	70.6	63%	0.626	36%	0.355	S	S	*	.	H	α-helix	trans	-64.6	-38.4	175.6	-76.4	179	-176.7	157.8	4.6	113.1	A408 G409 M410 A416	A408-R412 WeakPolarHBondContact O-CB 3.42Å; A408-R412 WeakPolarHBondContact O-CG 3.26Å; A408-R412 PolarHBondContact O-N 3.33Å; G409-R412 PolarHBondContact O-N 3.23Å; M410-R412 PolarHBondContact O-N 3.33Å; R412-A416 WeakPolarHBondContact O-CB 3.24Å; R412-A416 PolarHBondContact O-N 3.37Å
413	Q	48.8	Very low	45.2	Very low	80 Å²	80	71.1 Å²	71.1	37%	0.374	37%	0.37	S	S	.	.	H	α-helix	trans	-64.4	-42	175.4	-82.6	-178.6	-23.8	0	0	111.7	G409 M410 T411 A416 Y417 I1080	G409-Q413 PolarHBondContact O-N 3.38Å; M410-Q413 PolarHBondContact O-N 3.25Å; T411-Q413 PolarHBondContact O-N 2.94Å; Q413-A416 PolarHBondContact O-N 3.17Å; Q413-Y417 PolarHBondContact O-N 3.03Å; Q413-I1080 HydrophobicContact CG-CG2 4.08Å
414	I	47.7	Very low	44.8	Very low	78 Å²	78	76.5 Å²	76.5	40%	0.4	39%	0.394	S	S	.	.	H	α-helix	trans	-69	-41.8	178.9	-66.2	165	0	0	0	110.7	F394 M410 T411 A416 Y417 R418	F394-I414 HydrophobicContact CE2-CD1 4.34Å; M410-I414 VanDerWaalsContact O-CG1 3.26Å; M410-I414 WeakPolarHBondContact O-CG1 3.47Å; M410-I414 PolarHBondContact O-N 3.45Å; T411-I414 PolarHBondContact O-N 3.2Å; I414-A416 VanDerWaalsContact C-N 3.3Å; I414-A416 PolarHBondContact O-N 3.37Å; I414-Y417 PolarHBondContact O-N 3.15Å; I414-R418 WeakPolarHBondContact O-CB 3.49Å; I414-R418 PolarHBondContact O-N 3.24Å
415	E	48.8	Very low	44.4	Very low	92 Å²	92	82.8 Å²	82.8	43%	0.43	41%	0.408	S	S	.	.	H	α-helix	trans	-59.7	-39.4	172.7	-80.7	-178.8	-179.9	0	0	112.3	T411 K419	T411-E415 WeakPolarHBondContact O-CB 3.48Å; T411-E415 WeakPolarHBondContact O-CG 3.38Å; T411-E415 PolarHBondContact O-N 3.33Å; E415-K419 WeakPolarHBondContact O-CB 3.3Å; E415-K419 WeakPolarHBondContact O-CG 3.32Å; E415-K419 PolarHBondContact O-N 3.02Å
416	A	49	Very low	44.1	Very low	31 Å²	31	84.2 Å²	84.2	26%	0.256	42%	0.415	S	S	.	.	H	α-helix	trans	-64.9	-49.3	175.4	0	0	0	0	0	111.3	R412 Q413 I414 R418 K419 E420	R412-A416 WeakPolarHBondContact O-CB 3.24Å; R412-A416 PolarHBondContact O-N 3.37Å; Q413-A416 PolarHBondContact O-N 3.17Å; I414-A416 VanDerWaalsContact C-N 3.3Å; I414-A416 PolarHBondContact O-N 3.37Å; A416-R418 VanDerWaalsContact C-N 3.29Å; A416-R418 PolarHBondContact O-N 2.98Å; A416-K419 PolarHBondContact O-N 3.31Å; A416-E420 WeakPolarHBondContact O-CG 3.48Å; A416-E420 PolarHBondContact O-N 3.49Å
417	Y	47.4	Very low	43.6	Very low	142 Å²	142	85.1 Å²	85.1	56%	0.557	43%	0.427	S	S	*	.	H	α-helix	trans	-59.8	-39.8	177.7	-132.6	-89.7	0	0	0	112	Q413 I414 E420 T421	Q413-Y417 PolarHBondContact O-N 3.03Å; I414-Y417 PolarHBondContact O-N 3.15Å; Y417-E420 PolarHBondContact O-N 3.27Å; Y417-T421 PolarHBondContact O-N 3.36Å; Y417-T421 PolarHBondContact O-OG1 3.44Å
418	R	43.2	Very low	43.1	Very low	101 Å²	101	91.9 Å²	91.9	38%	0.381	46%	0.463	S	S	.	.	H	α-helix	trans	-71.2	-37.7	179	-147.5	176.2	-166.4	177	7.3	111.3	T28 D392 I414 A416 E420 T421 V422	T28-R418 PolarHBondContact OG1-NH1 3.05Å; T28-R418 VanDerWaalsContact OG1-NH1 3.09Å; D392-R418 IonicContact OD1-NH2 3.03Å; D392-R418 PolarHBondContact OD1-NH2 2.73Å; I414-R418 WeakPolarHBondContact O-CB 3.49Å; I414-R418 PolarHBondContact O-N 3.24Å; A416-R418 VanDerWaalsContact C-N 3.29Å; A416-R418 PolarHBondContact O-N 2.98Å; R418-E420 VanDerWaalsContact C-N 3.31Å; R418-E420 PolarHBondContact O-N 3.29Å; R418-T421 WeakPolarHBondContact CA-OG1 3.36Å; R418-T421 PolarHBondContact O-N 3.02Å; R418-T421 PolarHBondContact O-OG1 3.49Å; R418-V422 VanDerWaalsContact O-CG2 3.3Å; R418-V422 WeakPolarHBondContact O-CG2 3.5Å; R418-V422 PolarHBondContact O-N 3.04Å
419	K	46.1	Very low	42.3	Very low	144 Å²	144	100.6 Å²	100.6	63%	0.626	49%	0.49	S	S	*	.	H	α-helix	trans	-61.5	-38.8	171.5	-81.3	176.8	179.5	171.2	0	112.2	E415 A416 V422 C423	E415-K419 WeakPolarHBondContact O-CB 3.3Å; E415-K419 WeakPolarHBondContact O-CG 3.32Å; E415-K419 PolarHBondContact O-N 3.02Å; A416-K419 PolarHBondContact O-N 3.31Å; K419-V422 PolarHBondContact O-N 2.89Å; K419-C423 WeakPolarHBondContact O-CB 3.13Å; K419-C423 PolarHBondContact O-N 2.66Å; K419-C423 PolarHBondContact O-SG 3.05Å
420	E	43.5	Very low	41.3	Very low	88 Å²	88	108.4 Å²	108.4	41%	0.411	51%	0.509	S	S	.	.	H	α-helix	trans	-62.9	-49	174.7	-72.9	173.7	175	0	0	111.4	A416 Y417 R418 V422 C423 E424	A416-E420 WeakPolarHBondContact O-CG 3.48Å; A416-E420 PolarHBondContact O-N 3.49Å; Y417-E420 PolarHBondContact O-N 3.27Å; R418-E420 VanDerWaalsContact C-N 3.31Å; R418-E420 PolarHBondContact O-N 3.29Å; E420-V422 VanDerWaalsContact C-N 3.27Å; E420-V422 PolarHBondContact O-N 3.32Å; E420-C423 PolarHBondContact O-N 3.35Å; E420-E424 WeakPolarHBondContact O-CG 3.39Å; E420-E424 PolarHBondContact O-N 3.4Å
421	T	41.3	Very low	40.3	Very low	49 Å²	49	110.4 Å²	110.4	30%	0.301	53%	0.529	S	S	.	.	H	α-helix	trans	-67.7	-20.4	178.3	58.9	0	0	0	0	115	Y417 R418 R425	Y417-T421 PolarHBondContact O-N 3.36Å; Y417-T421 PolarHBondContact O-OG1 3.44Å; R418-T421 WeakPolarHBondContact CA-OG1 3.36Å; R418-T421 PolarHBondContact O-N 3.02Å; R418-T421 PolarHBondContact O-OG1 3.49Å; T421-R425 PolarHBondContact O-N 3.37Å; T421-R425 PolarHBondContact O-NE 3.45Å
422	V	40.2	Very low	39.4	Very low	65 Å²	65	119.4 Å²	119.4	39%	0.394	57%	0.566	S	S	.	*	H	α-helix	trans	-84.2	-41.2	173.3	173.5	0	0	0	0	110.3	R418 K419 E420 E424 R425 D426	R418-V422 VanDerWaalsContact O-CG2 3.3Å; R418-V422 WeakPolarHBondContact O-CG2 3.5Å; R418-V422 PolarHBondContact O-N 3.04Å; K419-V422 PolarHBondContact O-N 2.89Å; E420-V422 VanDerWaalsContact C-N 3.27Å; E420-V422 PolarHBondContact O-N 3.32Å; V422-E424 VanDerWaalsContact C-N 3.28Å; V422-E424 PolarHBondContact O-N 3.23Å; V422-R425 PolarHBondContact O-N 3.47Å; V422-R425 VanDerWaalsContact O-N 3.17Å; V422-D426 PolarHBondContact O-N 3.01Å
423	C	35.3	Very low	38.3	Very low	91 Å²	91	114.9 Å²	114.9	62%	0.615	57%	0.571	S	S	*	*	H	α-helix	trans	-64.5	-30	172.5	-77.4	0	0	0	0	113.1	K419 E420 G427	K419-C423 WeakPolarHBondContact O-CB 3.13Å; K419-C423 PolarHBondContact O-N 2.66Å; K419-C423 PolarHBondContact O-SG 3.05Å; E420-C423 PolarHBondContact O-N 3.35Å; C423-G427 WeakPolarHBondContact O-CA 3.43Å; C423-G427 PolarHBondContact O-N 3.34Å
424	E	37.8	Very low	37.1	Very low	146 Å²	146	116.4 Å²	116.4	68%	0.682	59%	0.591	S	S	*	*	H	α-helix	trans	-70.8	-35.4	171.7	-77	-178.5	158.5	0	0	112.5	E420 V422	E420-E424 WeakPolarHBondContact O-CG 3.39Å; E420-E424 PolarHBondContact O-N 3.4Å; V422-E424 VanDerWaalsContact C-N 3.28Å; V422-E424 PolarHBondContact O-N 3.23Å
425	R	35	Very low	36.1	Very low	180 Å²	180	122.1 Å²	122.1	68%	0.679	61%	0.613	S	S	*	*	H	α-helix	trans	-75.3	-30.1	176.6	-80.7	-173.9	-80.7	-179.5	-5.5	113.8	T421 V422	T421-R425 PolarHBondContact O-N 3.37Å; T421-R425 PolarHBondContact O-NE 3.45Å; V422-R425 PolarHBondContact O-N 3.47Å; V422-R425 VanDerWaalsContact O-N 3.17Å
426	D	36.3	Very low	35	Very low	110 Å²	110	121.9 Å²	121.9	59%	0.588	63%	0.626	S	S	*	*	H	α-helix	trans	-89.1	-18.3	174.1	-77.5	-32.7	0	0	0	113.2	V422 D428 R429	V422-D426 PolarHBondContact O-N 3.01Å; D426-D428 PolarHBondContact O-N 3.18Å; D426-R429 PolarHBondContact O-N 3.41Å
427	G	34.7	Very low	34	Very low	43 Å²	43	127.2 Å²	127.2	44%	0.443	66%	0.656	S	S	.	*	H	α-helix	trans	-72.9	-21.3	179.9	0	0	0	0	0	115.1	C423 R429	C423-G427 WeakPolarHBondContact O-CA 3.43Å; C423-G427 PolarHBondContact O-N 3.34Å; G427-R429 VanDerWaalsContact C-N 3.3Å
428	D	34.3	Very low	32.8	Very low	155 Å²	155	131 Å²	131	83%	0.829	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	-1.5	175.7	-109.2	-6.7	0	0	0	113.7	D426	D426-D428 PolarHBondContact O-N 3.18Å
429	R	29.9	Very low	31.9	Very low	211 Å²	211	135.4 Å²	135.4	80%	0.796	69%	0.691	S	S	*	*			trans	-105.7	64.4	167.7	-71.7	-176.4	178.3	174	0.3	110.7	D426 G427	D426-R429 PolarHBondContact O-N 3.41Å; G427-R429 VanDerWaalsContact C-N 3.3Å
430	R	26.2	Very low	31	Very low	197 Å²	197	136.9 Å²	136.9	74%	0.743	70%	0.704	S	S	*	*			trans	-62.8	134.2	162.2	-71.4	-170.7	-170.3	-178.8	5.2	109.4	K432	R430-K432 PolarHBondContact O-N 3Å
431	P	26.8	Very low	29.9	Very low	128 Å²	128	138.1 Å²	138.1	83%	0.831	72%	0.718	S	S	*	*			trans	-74.1	99.2	-173.4	31	-32.4	0	0	0	109
432	K	26.2	Very low	29.1	Very low	210 Å²	210	143.8 Å²	143.8	91%	0.913	74%	0.741	S	S	*	*			trans	-78.6	115.8	161.4	-75.5	-176.9	177.3	176.8	0	107.6	R430	R430-K432 PolarHBondContact O-N 3Å
433	G	27	Very low	28.4	Very low	72 Å²	72	149.5 Å²	149.5	74%	0.742	76%	0.764	S	S	*	*			trans	106.1	90.4	161.4	0	0	0	0	0	114.7	F435	G433-F435 PolarHBondContact O-N 3.32Å
434	S	22.9	Very low	27.9	Very low	112 Å²	112	149.3 Å²	149.3	78%	0.783	76%	0.764	S	S	*	*			trans	-36.1	124	143.8	163	0	0	0	0	111.7
435	F	27.3	Very low	27.2	Very low	197 Å²	197	149.9 Å²	149.9	86%	0.864	77%	0.766	S	S	*	*				-160.3	121	128.8	-124.7	-90.3	0	0	0	110.4	G433	G433-F435 PolarHBondContact O-N 3.32Å
436	A	24.5	Very low	26.7	Very low	87 Å²	87	147.2 Å²	147.2	72%	0.719	77%	0.765	S	S	*	*			trans	-68.1	138	175.2	0	0	0	0	0	111.1
437	V	27.4	Very low	26.2	Very low	143 Å²	143	148.9 Å²	148.9	87%	0.867	78%	0.775	S	S	*	*			trans	-141.8	117.7	146.8	-177.5	0	0	0	0	110.1
438	R	22.9	Very low	25.7	Very low	223 Å²	223	153.9 Å²	153.9	84%	0.842	79%	0.79	S	S	*	*			trans	-62.3	151.5	170.8	-118.5	166.2	173.2	175.8	-3.1	110.8
439	K	24.5	Very low	25.3	Very low	192 Å²	192	152.1 Å²	152.1	84%	0.835	79%	0.785	S	S	*	*			trans	19.4	121.4	146	-74.3	-177.1	172.2	-173.7	0	116.4
440	L	26.3	Very low	24.9	Very low	175 Å²	175	149.9 Å²	149.9	92%	0.916	79%	0.789	S	S	*	*			trans	-159.4	103.2	136.8	-100.8	154.8	0	0	0	109.1
441	T	21.7	Very low	24.9	Very low	114 Å²	114	143.8 Å²	143.8	70%	0.699	79%	0.787	S	S	*	*			trans	-61	154.2	152.9	-28.1	0	0	0	0	108.6
442	E	23.7	Very low	24.7	Very low	168 Å²	168	142.8 Å²	142.8	79%	0.785	78%	0.784	S	S	*	*			trans	67	102.6	162.9	-65.6	167.8	-168.8	0	0	116.2
443	Q	26.1	Very low	24.7	Very low	185 Å²	185	144 Å²	144	86%	0.864	78%	0.784	S	S	*	*				175.9	120.3	112.1	-94.6	173.2	-0.7	0	0	110.6
444	S	23.6	Very low	24.7	Very low	88 Å²	88	146.3 Å²	146.3	62%	0.615	78%	0.784	S	S	*	*				60.2	107.6	124.4	-148.4	0	0	0	0	119.4
445	Q	24.3	Very low	25.2	Very low	157 Å²	157	146.2 Å²	146.2	73%	0.734	78%	0.78	S	S	*	*				71.9	124.8	121.5	-72.2	179.9	-13.1	0	0	119.6
446	N	23.4	Very low	25.1	Very low	124 Å²	124	142 Å²	142	66%	0.663	78%	0.776	S	S	*	*			trans	63.4	104.3	133.9	-56.3	-12	0	0	0	115.6
447	N	25.8	Very low	25.6	Very low	146 Å²	146	143.2 Å²	143.2	78%	0.781	78%	0.779	S	S	*	*				176	140.3	104	-90.4	-29.1	0	0	0	112.9
448	L	25.7	Very low	25.6	Very low	147 Å²	147	143.4 Å²	143.4	77%	0.77	77%	0.774	S	S	*	*			trans	70.2	95	147.6	-86	83.4	0	0	0	119.9
449	V	24.5	Very low	25.8	Very low	118 Å²	118	139 Å²	139	72%	0.715	77%	0.767	S	S	*	*				43	123	96.6	-177.3	0	0	0	0	117.9
450	N	23.4	Very low	26	Very low	164 Å²	164	137 Å²	137	88%	0.877	76%	0.764	S	S	*	*			trans	76.1	109.4	159.1	-65.6	-12.7	0	0	0	118.9
451	G	25.2	Very low	26	Very low	70 Å²	70	137.7 Å²	137.7	72%	0.722	76%	0.76	S	S	*	*			trans	-178.4	88.5	166.4	0	0	0	0	0	113.2
452	S	23.1	Very low	26.3	Very low	107 Å²	107	140.8 Å²	140.8	75%	0.748	77%	0.767	S	S	*	*			trans	-47.8	135.5	171	-174.3	0	0	0	0	113.4
453	Y	25	Very low	26.5	Very low	234 Å²	234	140.8 Å²	140.8	92%	0.918	77%	0.767	S	S	*	*			trans	-131.3	96.5	157.1	-94	-83.3	0	0	0	109.7
454	V	27.1	Very low	26.6	Very low	122 Å²	122	137.9 Å²	137.9	74%	0.739	76%	0.762	S	S	*	*			trans	-148.6	156.9	167.5	-174.8	0	0	0	0	104.4
455	P	33.6	Very low	26.7	Very low	109 Å²	109	140.7 Å²	140.7	71%	0.708	77%	0.77	S	S	*	*			cis	-130	179.8	-40.1	38.2	-22.7	0	0	0	112
456	S	25.5	Very low	26.8	Very low	110 Å²	110	140 Å²	140	77%	0.769	77%	0.771	S	S	*	*			trans	162.6	129.4	143.9	39.1	0	0	0	0	111.6
457	S	35.7	Very low	27	Very low	112 Å²	112	140.7 Å²	140.7	78%	0.783	77%	0.773	S	S	*	*				-167.1	125	65.1	37.4	0	0	0	0	108.1
458	L	26.7	Very low	27	Very low	147 Å²	147	140.4 Å²	140.4	77%	0.77	77%	0.771	S	S	*	*				43	122.7	52.7	-86.8	100.8	0	0	0	111.3
459	N	27.2	Very low	27	Very low	131 Å²	131	142.7 Å²	142.7	70%	0.701	77%	0.774	S	S	*	*			cis	-170.1	147.3	25.9	-86.8	-45.9	0	0	0	107.5
460	L	28.6	Very low	27.2	Very low	148 Å²	148	142.3 Å²	142.3	78%	0.775	77%	0.774	S	S	*	*				-179.8	85.7	124.5	-120.5	76.7	0	0	0	111.2
461	K	26.1	Very low	27.4	Very low	191 Å²	191	142.2 Å²	142.2	83%	0.83	77%	0.774	S	S	*	*	S	Bend	trans	-89.1	139.8	141.3	-118.9	176.2	178.2	177.8	0	105.2
462	Q	28.3	Very low	27.4	Very low	178 Å²	178	143.4 Å²	143.4	83%	0.832	77%	0.771	S	S	*	*			trans	71.1	90.8	159	-61.9	168.5	-41.5	0	0	118.8
463	Q	27.5	Very low	27.7	Very low	168 Å²	168	145.9 Å²	145.9	79%	0.785	78%	0.776	S	S	*	*			trans	173.9	119.4	148.5	-107.1	177.1	-19.9	0	0	104.6
464	T	29.3	Very low	27.8	Very low	124 Å²	124	144 Å²	144	76%	0.761	77%	0.773	S	S	*	*			cis	-161.9	137.4	26.4	33.8	0	0	0	0	107.7	N466	T464-N466 PolarHBondContact O-N 2.87Å
465	D	23.9	Very low	27.7	Very low	148 Å²	148	146.2 Å²	146.2	79%	0.791	78%	0.779	S	S	*	*			trans	-48	131.1	154.7	-65.6	-54.2	0	0	0	109.8
466	N	26.6	Very low	27.4	Very low	141 Å²	141	146.2 Å²	146.2	75%	0.754	78%	0.78	S	S	*	*			trans	154.3	123.9	132.3	-82	-37.1	0	0	0	112	T464	T464-N466 PolarHBondContact O-N 2.87Å
467	I	27.6	Very low	27.5	Very low	139 Å²	139	148.7 Å²	148.7	71%	0.713	78%	0.782	S	S	*	*			trans	95.3	96.5	136.6	-65.5	165.2	0	0	0	118
468	I	27.4	Very low	27.1	Very low	141 Å²	141	149.1 Å²	149.1	72%	0.723	78%	0.782	S	S	*	*				75.5	105.7	123	-59.5	179.1	0	0	0	119.2
469	K	25.3	Very low	27.1	Very low	194 Å²	194	146.9 Å²	146.9	84%	0.843	78%	0.779	S	S	*	*			trans	70.4	147.5	134.3	-76.4	-177.1	179	178.4	0	121.4
470	P	28.5	Very low	27.1	Very low	111 Å²	111	148.7 Å²	148.7	72%	0.721	79%	0.789	S	S	*	*			trans	-89.1	136.3	-165.6	35.8	-28.4	0	0	0	110.3
471	D	26.8	Very low	27	Very low	161 Å²	161	147.6 Å²	147.6	86%	0.861	78%	0.78	S	S	*	*			trans	-154.1	142.4	154.3	-100.1	-30.6	0	0	0	110.9
472	S	25.2	Very low	27.3	Very low	96 Å²	96	144.8 Å²	144.8	67%	0.671	77%	0.772	S	S	*	*			trans	-46.2	130.8	171.2	48.2	0	0	0	0	112.6
473	D	30	Very low	27.2	Very low	159 Å²	159	143.9 Å²	143.9	85%	0.85	77%	0.773	S	S	*	*				-171.9	141.1	126.4	-92.4	-29.6	0	0	0	112.1
474	K	27.7	Very low	27.2	Very low	195 Å²	195	138.8 Å²	138.8	85%	0.848	75%	0.753	S	S	*	*			trans	-53.7	147.4	177	-65	164	176	172.8	0	111.3
475	L	25.4	Very low	27.2	Very low	167 Å²	167	137.7 Å²	137.7	87%	0.874	75%	0.748	S	S	*	*			trans	178.9	157.1	142.5	-96.4	160.8	0	0	0	110.3
476	P	27.3	Very low	27.6	Very low	110 Å²	110	139.4 Å²	139.4	71%	0.714	75%	0.749	S	S	*	*				-119.2	153	-106.9	38.5	-25.4	0	0	0	114.2
477	I	26.4	Very low	28.1	Very low	162 Å²	162	136.1 Å²	136.1	83%	0.831	73%	0.731	S	S	*	*			trans	-89.8	136.9	171.5	-59	169	0	0	0	108.4	S479	I477-S479 PolarHBondContact O-N 2.94Å
478	P	27.4	Very low	28.6	Very low	120 Å²	120	132.5 Å²	132.5	78%	0.779	72%	0.718	S	S	*	*			trans	-77.4	125.2	-168.4	7.4	8.4	0	0	0	111.5
479	S	25.9	Very low	29.3	Very low	100 Å²	100	134.9 Å²	134.9	70%	0.699	72%	0.723	S	S	*	*			trans	-90.3	105.4	173.2	54	0	0	0	0	110.8	I477 E481	I477-S479 PolarHBondContact O-N 2.94Å; S479-E481 VanDerWaalsContact C-N 3.32Å; S479-E481 PolarHBondContact O-N 2.98Å
480	N	27.2	Very low	30.2	Very low	169 Å²	169	135.4 Å²	135.4	90%	0.904	72%	0.719	S	S	*	*			trans	-92.3	72.9	157.9	-83.9	-16.7	0	0	0	108.5
481	E	27.4	Very low	31	Very low	126 Å²	126	137.4 Å²	137.4	59%	0.589	72%	0.717	S	S	*	*			trans	-78.6	118.3	168	-127.9	173.8	-159.8	0	0	107	S479 D483 K486	S479-E481 VanDerWaalsContact C-N 3.32Å; S479-E481 PolarHBondContact O-N 2.98Å; E481-D483 PolarHBondContact O-N 3.02Å; E481-D483 VanDerWaalsContact O-N 3.11Å; E481-K486 IonicContact OE2-NZ 3.09Å
482	I	32.1	Very low	32.2	Very low	132 Å²	132	132.4 Å²	132.4	68%	0.677	69%	0.689	S	S	*	*			trans	-62.7	113.6	170.6	-66.7	168.4	0	0	0	106.6	T484	I482-T484 VanDerWaalsContact C-N 3.34Å; I482-T484 PolarHBondContact O-N 3.19Å
483	D	27.1	Very low	33.4	Very low	158 Å²	158	134.5 Å²	134.5	85%	0.845	69%	0.687	S	S	*	*			trans	-49.7	88.8	179.4	-75.3	-47.8	0	0	0	112.4	E481	E481-D483 PolarHBondContact O-N 3.02Å; E481-D483 VanDerWaalsContact O-N 3.11Å
484	T	27.9	Very low	34.4	Very low	61 Å²	61	132.3 Å²	132.3	37%	0.374	67%	0.674	S	S	.	*			trans	-78.7	128.3	150.9	56.7	0	0	0	0	106.1	I482 K486 I1069	I482-T484 VanDerWaalsContact C-N 3.34Å; I482-T484 PolarHBondContact O-N 3.19Å; T484-K486 PolarHBondContact O-N 3.38Å; T484-I1069 HydrophobicContact CG2-CG2 4.48Å
485	P	29.1	Very low	35.7	Very low	101 Å²	101	128.4 Å²	128.4	66%	0.656	65%	0.654	S	S	*	*			trans	-61.5	117	-179.4	24.9	-31.3	0	0	0	107.3	I487	P485-I487 PolarHBondContact O-N 3.29Å
486	K	32.1	Very low	37.2	Very low	185 Å²	185	123.8 Å²	123.8	80%	0.804	63%	0.631	S	S	*	*			trans	-60.3	81.7	170.5	-76.2	175.7	179.4	163.8	0	108.5	E481 T484 S488	E481-K486 IonicContact OE2-NZ 3.09Å; T484-K486 PolarHBondContact O-N 3.38Å; K486-S488 PolarHBondContact O-N 2.91Å; K486-S488 VanDerWaalsContact O-N 3.11Å
487	I	37.1	Very low	38.7	Very low	71 Å²	71	123.3 Å²	123.3	36%	0.364	62%	0.618	S	S	.	*			trans	-62.9	116.3	172.3	-61	174	0	0	0	105.3	P485 K489 K491 I492	P485-I487 PolarHBondContact O-N 3.29Å; I487-K489 PolarHBondContact O-N 3.47Å; I487-K491 HydrophobicContact CG2-CB 3.69Å; I487-I492 HydrophobicContact CB-CD1 4.34Å; I487-I492 HydrophobicContact CB-CG1 4.32Å; I487-I492 HydrophobicContact CG2-CD1 4.22Å; I487-I492 HydrophobicContact CG2-CG1 3.68Å
488	S	36.8	Very low	40.3	Very low	63 Å²	63	119 Å²	119	44%	0.441	60%	0.601	S	S	.	*			trans	-55.8	139.8	-178.2	89.5	0	0	0	0	109.9	K486 R490 K491 I492	K486-S488 PolarHBondContact O-N 2.91Å; K486-S488 VanDerWaalsContact O-N 3.11Å; S488-R490 PolarHBondContact O-N 3.42Å; S488-K491 PolarHBondContact O-N 3.35Å; S488-K491 PolarHBondContact OG-N 2.99Å; S488-I492 PolarHBondContact O-N 3.06Å
489	K	43.6	Very low	42.4	Very low	191 Å²	191	117.2 Å²	117.2	83%	0.83	59%	0.589	S	S	*	*	H	α-helix	trans	-49.8	-26.9	177.3	-66.2	-176.3	178.7	179.3	0	112.3	I487 F493	I487-K489 PolarHBondContact O-N 3.47Å; K489-F493 VanDerWaalsContact O-CB 3.28Å; K489-F493 WeakPolarHBondContact O-CB 3.44Å; K489-F493 PolarHBondContact O-N 3.42Å
490	R	44.3	Very low	44.8	Very low	205 Å²	205	116.1 Å²	116.1	77%	0.774	58%	0.58	S	S	*	*	H	α-helix	trans	-68.2	-41.6	173.2	-73.4	-173.2	178.3	-174.1	0	113.7	S488 F493 L494	S488-R490 PolarHBondContact O-N 3.42Å; R490-F493 PolarHBondContact O-N 3.26Å; R490-L494 WeakPolarHBondContact O-CB 3.34Å; R490-L494 PolarHBondContact O-N 3.35Å
491	K	44.9	Very low	47.5	Very low	153 Å²	153	110.9 Å²	110.9	67%	0.665	55%	0.549	S	S	*	.	H	α-helix	trans	-68.4	-34	177.7	-85.6	-174.3	176.9	-179.5	0	112.2	I487 S488 R495	I487-K491 HydrophobicContact CG2-CB 3.69Å; S488-K491 PolarHBondContact O-N 3.35Å; S488-K491 PolarHBondContact OG-N 2.99Å; K491-R495 WeakPolarHBondContact O-CB 3.43Å; K491-R495 PolarHBondContact O-N 3.45Å; K491-R495 VanDerWaalsContact O-N 3.15Å
492	I	52	Low	50.1	Low	56 Å²	56	105.9 Å²	105.9	29%	0.287	53%	0.526	S	S	.	.	H	α-helix	trans	-68.1	-47.9	172.7	-62.6	168.4	0	0	0	109.9	I487 S488 L494 R495 D496	I487-I492 HydrophobicContact CB-CD1 4.34Å; I487-I492 HydrophobicContact CB-CG1 4.32Å; I487-I492 HydrophobicContact CG2-CD1 4.22Å; I487-I492 HydrophobicContact CG2-CG1 3.68Å; S488-I492 PolarHBondContact O-N 3.06Å; I492-L494 PolarHBondContact O-N 3.2Å; I492-R495 PolarHBondContact O-N 3.03Å; I492-R495 VanDerWaalsContact O-N 3.15Å; I492-D496 PolarHBondContact O-N 3.35Å
493	F	49.1	Very low	52.5	Low	141 Å²	141	101.5 Å²	101.5	62%	0.618	50%	0.503	S	S	*	.	H	α-helix	trans	-59	-43.9	177.7	-175.3	-96.9	0	0	0	113.1	K489 R490 R495 D496 F497	K489-F493 VanDerWaalsContact O-CB 3.28Å; K489-F493 WeakPolarHBondContact O-CB 3.44Å; K489-F493 PolarHBondContact O-N 3.42Å; R490-F493 PolarHBondContact O-N 3.26Å; F493-R495 VanDerWaalsContact C-N 3.34Å; F493-R495 PolarHBondContact O-N 3.07Å; F493-D496 PolarHBondContact O-N 2.9Å; F493-F497 PolarHBondContact O-N 3.17Å; F493-F497 VanDerWaalsContact O-N 3.13Å
494	L	51.4	Low	55.3	Low	112 Å²	112	95.8 Å²	95.8	59%	0.586	47%	0.472	S	S	*	.	H	α-helix	trans	-65.9	-34.4	176.4	-92.1	147.7	0	0	0	112.9	R490 I492 C498	R490-L494 WeakPolarHBondContact O-CB 3.34Å; R490-L494 PolarHBondContact O-N 3.35Å; I492-L494 PolarHBondContact O-N 3.2Å; L494-C498 PolarHBondContact O-N 3.48Å
495	R	56.1	Low	58	Low	113 Å²	113	96.3 Å²	96.3	43%	0.426	48%	0.478	S	S	.	.	H	α-helix	trans	-73.5	-27.6	177.6	-165.7	-174.4	72.6	152	6	113	K491 I492 F493 E1067	K491-R495 WeakPolarHBondContact O-CB 3.43Å; K491-R495 PolarHBondContact O-N 3.45Å; K491-R495 VanDerWaalsContact O-N 3.15Å; I492-R495 PolarHBondContact O-N 3.03Å; I492-R495 VanDerWaalsContact O-N 3.15Å; F493-R495 VanDerWaalsContact C-N 3.34Å; F493-R495 PolarHBondContact O-N 3.07Å; R495-E1067 IonicContact CZ-OE1 3.71Å; R495-E1067 VanDerWaalsContact CZ-OE1 3.22Å; R495-E1067 IonicContact NH1-OE1 2.85Å; R495-E1067 PolarHBondContact NH1-OE1 3.41Å; R495-E1067 IonicContact NH2-OE1 3.39Å; R495-E1067 PolarHBondContact NH2-OE1 3.46Å
496	D	57.1	Low	60.6	Low	71 Å²	71	96.8 Å²	96.8	38%	0.38	47%	0.467	S	S	.	.	H	α-helix	trans	-86.7	-24.8	179.9	-66.7	-19.2	0	0	0	112.2	I492 F493 N634	I492-D496 PolarHBondContact O-N 3.35Å; F493-D496 PolarHBondContact O-N 2.9Å; D496-N634 PolarHBondContact O-ND2 2.97Å
497	F	58.8	Low	63.1	Low	100 Å²	100	88.3 Å²	88.3	44%	0.439	43%	0.433	S	S	.	.	H	α-helix	trans	-94	-27.6	178.6	-143.1	-98.6	0	0	0	113.9	F493 C633	F493-F497 PolarHBondContact O-N 3.17Å; F493-F497 VanDerWaalsContact O-N 3.13Å; F497-C633 HydrophobicContact CE2-CB 4.5Å; F497-C633 WeakPolarHBondContact CE2-O 3.2Å; F497-C633 HydrophobicContact CZ-CB 3.97Å
498	C	59.4	Low	65.5	Low	72 Å²	72	88 Å²	88	49%	0.486	43%	0.431	S	S	.	.	S	Bend	trans	-130.6	134.2	177.1	-68.2	0	0	0	0	110.9	L494	L494-C498 PolarHBondContact O-N 3.48Å
499	P	71	Confident	67.9	Low	81 Å²	81	95.2 Å²	95.2	53%	0.526	45%	0.448	S	S	.	.	S	Bend	cis	-74.2	154.7	5.9	28.5	-36.9	0	0	0	114.7	I502	P499-I502 HydrophobicContact CG-CB 4.38Å; P499-I502 HydrophobicContact CG-CD1 4.39Å; P499-I502 WeakPolarHBondContact O-CB 3.47Å; P499-I502 PolarHBondContact O-N 2.97Å
500	P	77.4	Confident	69.9	Low	78 Å²	78	89 Å²	89	51%	0.506	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	150.8	170.8	27.8	-35.2	0	0	0	110.4	I502 G632	P500-I502 PolarHBondContact O-N 3.47Å; P500-G632 WeakPolarHBondContact CA-O 3.29Å; P500-G632 WeakPolarHBondContact CB-O 3.36Å
501	F	82.4	Confident	72	Confident	59 Å²	59	81.1 Å²	81.1	26%	0.259	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.3	14.7	-178	-53	-82.6	0	0	0	115.9	E503 L504 S505 F628 V631 G632	F501-E503 VanDerWaalsContact C-N 3.3Å; F501-E503 PolarHBondContact O-N 3Å; F501-L504 HydrophobicContact CB-CB 4.35Å; F501-L504 HydrophobicContact CD1-CD2 4.01Å; F501-L504 PolarHBondContact O-N 3.24Å; F501-S505 PolarHBondContact O-N 3.36Å; F501-S505 PolarHBondContact O-OG 3.4Å; F501-F628 HydrophobicContact CE1-CD2 4.2Å; F501-F628 HydrophobicContact CE1-CE1 4.5Å; F501-F628 AromaticContact CE1-CE2 3.86Å; F501-F628 HydrophobicContact CE1-CE2 3.86Å; F501-F628 HydrophobicContact CE1-CZ 4.04Å; F501-F628 HydrophobicContact CE2-CE1 4.22Å; F501-F628 AromaticContact CE2-CZ 3.96Å; F501-F628 HydrophobicContact CE2-CZ 3.96Å; F501-F628 HydrophobicContact CZ-CD1 4.06Å; F501-F628 HydrophobicContact CZ-CD2 4.12Å; F501-F628 AromaticContact CZ-CE1 3.53Å; F501-F628 HydrophobicContact CZ-CE1 3.53Å; F501-F628 AromaticContact CZ-CE2 3.59Å; F501-F628 HydrophobicContact CZ-CE2 3.59Å; F501-F628 HydrophobicContact CZ-CG 4.34Å; F501-F628 AromaticContact CZ-CZ 3.27Å; F501-F628 HydrophobicContact CZ-CZ 3.27Å; F501-V631 HydrophobicContact CD1-CG1 3.83Å; F501-V631 HydrophobicContact CE1-CB 4.34Å; F501-V631 HydrophobicContact CE1-CG1 3.99Å; F501-G632 PolarHBondContact N-O 3.27Å
502	I	82.7	Confident	74.2	Confident	21 Å²	21	78.5 Å²	78.5	11%	0.108	39%	0.39	C	S	.	.	H	α-helix	trans	-61.9	-38.4	177.9	-160.6	175.8	0	0	0	111.9	P499 P500 L504 S505 R506 N634	P499-I502 HydrophobicContact CG-CB 4.38Å; P499-I502 HydrophobicContact CG-CD1 4.39Å; P499-I502 WeakPolarHBondContact O-CB 3.47Å; P499-I502 PolarHBondContact O-N 2.97Å; P500-I502 PolarHBondContact O-N 3.47Å; I502-L504 VanDerWaalsContact C-N 3.33Å; I502-L504 PolarHBondContact O-N 3.03Å; I502-S505 PolarHBondContact O-N 3.41Å; I502-S505 PolarHBondContact O-OG 3.37Å; I502-R506 VanDerWaalsContact CD1-CZ 3.47Å; I502-R506 HydrophobicContact CG1-CG 4.48Å; I502-R506 WeakPolarHBondContact O-CB 3.3Å; I502-R506 VanDerWaalsContact O-CG 3.27Å; I502-R506 WeakPolarHBondContact O-CG 3.48Å; I502-R506 PolarHBondContact O-N 2.85Å; I502-N634 WeakPolarHBondContact CG2-ND2 3.34Å; I502-N634 PolarHBondContact N-OD1 3.24Å
503	E	82.1	Confident	75.9	Confident	40 Å²	40	84.6 Å²	84.6	19%	0.187	42%	0.415	C	S	.	.	H	α-helix	trans	-69.1	-34	177.9	-69.8	-164	137.5	0	0	111.8	F501 G507 N634 S636 G637 V825	F501-E503 VanDerWaalsContact C-N 3.3Å; F501-E503 PolarHBondContact O-N 3Å; E503-G507 PolarHBondContact O-N 3.19Å; E503-N634 HydrophobicContact CG-CB 3.93Å; E503-N634 PolarHBondContact N-OD1 3.44Å; E503-S636 WeakPolarHBondContact OE2-CB 3.35Å; E503-S636 PolarHBondContact OE2-OG 3.29Å; E503-G637 PolarHBondContact OE2-N 2.85Å; E503-V825 HydrophobicContact CB-CG2 3.75Å
504	L	86	Confident	77.8	Confident	38 Å²	38	78.9 Å²	78.9	20%	0.199	39%	0.389	C	S	.	.	H	α-helix	trans	-65.5	-49.8	174.7	179.8	61.6	0	0	0	111	F501 I502 R506 G507 I508 V631 V825 M826 V829	F501-L504 HydrophobicContact CB-CB 4.35Å; F501-L504 HydrophobicContact CD1-CD2 4.01Å; F501-L504 PolarHBondContact O-N 3.24Å; I502-L504 VanDerWaalsContact C-N 3.33Å; I502-L504 PolarHBondContact O-N 3.03Å; L504-R506 VanDerWaalsContact C-N 3.34Å; L504-R506 PolarHBondContact O-N 2.87Å; L504-G507 PolarHBondContact O-N 3.48Å; L504-G507 VanDerWaalsContact O-N 3.09Å; L504-I508 HydrophobicContact CD1-CD1 4.21Å; L504-I508 HydrophobicContact CD1-CG1 4.27Å; L504-I508 HydrophobicContact CG-CD1 4.05Å; L504-I508 VanDerWaalsContact O-CG1 3.29Å; L504-I508 WeakPolarHBondContact O-CG1 3.15Å; L504-I508 PolarHBondContact O-N 3.17Å; L504-V631 HydrophobicContact CB-CG1 4.29Å; L504-V631 HydrophobicContact CD2-CG1 4.24Å; L504-V825 HydrophobicContact CB-CG1 3.93Å; L504-V825 HydrophobicContact CD1-CG1 3.92Å; L504-M826 HydrophobicContact CD1-SD 3.97Å; L504-V829 HydrophobicContact CD1-CG2 3.94Å
505	S	84.7	Confident	79.5	Confident	72 Å²	72	75.6 Å²	75.6	50%	0.503	37%	0.371	S	S	.	.	H	α-helix	trans	-62.3	-40.3	178.4	61.5	0	0	0	0	112.3	F501 I502 G507	F501-S505 PolarHBondContact O-N 3.36Å; F501-S505 PolarHBondContact O-OG 3.4Å; I502-S505 PolarHBondContact O-N 3.41Å; I502-S505 PolarHBondContact O-OG 3.37Å; S505-G507 VanDerWaalsContact C-N 3.33Å; S505-G507 PolarHBondContact O-N 3.39Å
506	R	83.7	Confident	81.1	Confident	110 Å²	110	73.8 Å²	73.8	42%	0.415	37%	0.374	S	S	.	.	H	α-helix	trans	-66.5	-32.5	173	-73.6	174.5	172.3	165.9	-4.6	112.6	I502 L504 P510 E1067	I502-R506 VanDerWaalsContact CD1-CZ 3.47Å; I502-R506 HydrophobicContact CG1-CG 4.48Å; I502-R506 WeakPolarHBondContact O-CB 3.3Å; I502-R506 VanDerWaalsContact O-CG 3.27Å; I502-R506 WeakPolarHBondContact O-CG 3.48Å; I502-R506 PolarHBondContact O-N 2.85Å; L504-R506 VanDerWaalsContact C-N 3.34Å; L504-R506 PolarHBondContact O-N 2.87Å; R506-P510 WeakPolarHBondContact O-CD 3.48Å; R506-P510 WeakPolarHBondContact O-CG 3.5Å; R506-E1067 IonicContact NH2-OE1 3.4Å
507	G	83.5	Confident	82.6	Confident	8 Å²	8	71.6 Å²	71.6	8%	0.082	37%	0.368	C	S	.	.	H	α-helix	trans	-77.6	-33.3	-178.8	0	0	0	0	0	114.6	E503 L504 S505 R509 P510 W511	E503-G507 PolarHBondContact O-N 3.19Å; L504-G507 PolarHBondContact O-N 3.48Å; L504-G507 VanDerWaalsContact O-N 3.09Å; S505-G507 VanDerWaalsContact C-N 3.33Å; S505-G507 PolarHBondContact O-N 3.39Å; G507-R509 PolarHBondContact O-N 2.86Å; G507-P510 WeakPolarHBondContact O-CD 3.48Å; G507-W511 VanDerWaalsContact O-CB 3.22Å; G507-W511 WeakPolarHBondContact O-CB 3.34Å; G507-W511 PolarHBondContact O-N 3.29Å; G507-W511 VanDerWaalsContact O-N 3.11Å
508	I	87.9	Confident	84.2	Confident	65 Å²	65	66.8 Å²	66.8	33%	0.333	35%	0.347	S	S	.	.	H	α-helix	trans	-61.4	-43.7	-177.7	-73.3	163.1	0	0	0	112	L504 W511 I512 M826	L504-I508 HydrophobicContact CD1-CD1 4.21Å; L504-I508 HydrophobicContact CD1-CG1 4.27Å; L504-I508 HydrophobicContact CG-CD1 4.05Å; L504-I508 VanDerWaalsContact O-CG1 3.29Å; L504-I508 WeakPolarHBondContact O-CG1 3.15Å; L504-I508 PolarHBondContact O-N 3.17Å; I508-W511 WeakPolarHBondContact O-CB 3.21Å; I508-W511 PolarHBondContact O-N 3.39Å; I508-I512 HydrophobicContact CG2-CD1 3.72Å; I508-I512 HydrophobicContact CG2-CG1 4.38Å; I508-I512 WeakPolarHBondContact O-CG1 3.29Å; I508-I512 PolarHBondContact O-N 2.84Å; I508-M826 HydrophobicContact CG1-SD 4.16Å
509	R	87.2	Confident	85.7	Confident	213 Å²	213	67.5 Å²	67.5	80%	0.804	34%	0.34	S	S	*	.	H	α-helix	trans	-65.5	-49.2	-175.9	-178.4	-178.5	-173.9	-173.1	3.3	113	G507 W511 K513	G507-R509 PolarHBondContact O-N 2.86Å; R509-W511 VanDerWaalsContact C-N 3.29Å; R509-W511 PolarHBondContact O-N 2.72Å; R509-K513 WeakPolarHBondContact O-CB 3.4Å; R509-K513 PolarHBondContact O-N 3.24Å
510	P	86	Confident	86.7	Confident	62 Å²	62	71 Å²	71	40%	0.403	35%	0.347	S	S	.	.	H	α-helix	trans	-60.9	-35.6	171.1	-23.8	33.9	0	0	0	113.3	R506 G507 K513 R514 I823	R506-P510 WeakPolarHBondContact O-CD 3.48Å; R506-P510 WeakPolarHBondContact O-CG 3.5Å; G507-P510 WeakPolarHBondContact O-CD 3.48Å; P510-K513 PolarHBondContact O-N 3.23Å; P510-R514 WeakPolarHBondContact O-CB 3.29Å; P510-R514 PolarHBondContact O-N 3.4Å; P510-I823 HydrophobicContact CB-CD1 3.9Å
511	W	89.7	Confident	87.3	Confident	38 Å²	38	69.3 Å²	69.3	14%	0.144	33%	0.334	C	S	.	.	H	α-helix	trans	-63.2	-50.4	-179.9	170.7	70.1	0	0	0	112	G507 I508 R509 K513 R514 M515 L580 S581 I823 M826	G507-W511 VanDerWaalsContact O-CB 3.22Å; G507-W511 WeakPolarHBondContact O-CB 3.34Å; G507-W511 PolarHBondContact O-N 3.29Å; G507-W511 VanDerWaalsContact O-N 3.11Å; I508-W511 WeakPolarHBondContact O-CB 3.21Å; I508-W511 PolarHBondContact O-N 3.39Å; R509-W511 VanDerWaalsContact C-N 3.29Å; R509-W511 PolarHBondContact O-N 2.72Å; W511-K513 VanDerWaalsContact C-N 3.33Å; W511-K513 PolarHBondContact O-N 2.59Å; W511-R514 PolarHBondContact O-N 2.74Å; W511-M515 HydrophobicContact CD2-CE 3.95Å; W511-M515 HydrophobicContact CH2-CE 3.78Å; W511-M515 HydrophobicContact CZ2-CE 3.08Å; W511-M515 HydrophobicContact CZ3-CE 4.45Å; W511-M515 PolarHBondContact O-N 3.01Å; W511-L580 VanDerWaalsContact CE2-O 3.27Å; W511-L580 HydrophobicContact CZ2-CB 4.46Å; W511-L580 HydrophobicContact CZ2-CD2 4.28Å; W511-L580 VanDerWaalsContact CZ2-O 3.23Å; W511-L580 WeakPolarHBondContact CZ2-O 2.97Å; W511-L580 PolarHBondContact NE1-O 2.98Å; W511-S581 PolarHBondContact NE1-O 3.08Å; W511-I823 HydrophobicContact CB-CD1 3.68Å; W511-I823 VanDerWaalsContact N-CD1 3.33Å; W511-M826 HydrophobicContact CB-CG 4.21Å; W511-M826 HydrophobicContact CD2-CE 3.83Å; W511-M826 HydrophobicContact CD2-CG 4.24Å; W511-M826 HydrophobicContact CD2-SD 4.32Å; W511-M826 HydrophobicContact CE3-CE 3.88Å; W511-M826 HydrophobicContact CE3-SD 4.39Å; W511-M826 HydrophobicContact CG-CG 3.94Å; W511-M826 HydrophobicContact CH2-CE 3.91Å; W511-M826 HydrophobicContact CZ2-CE 3.81Å; W511-M826 HydrophobicContact CZ3-CE 3.94Å
512	I	89.9	Confident	87.6	Confident	99 Å²	99	66.5 Å²	66.5	51%	0.508	32%	0.322	S	S	.	.	H	α-helix	trans	-61.7	-42.2	176.3	-65.6	171	0	0	0	110.8	I508 R514 M515 P516	I508-I512 HydrophobicContact CG2-CD1 3.72Å; I508-I512 HydrophobicContact CG2-CG1 4.38Å; I508-I512 WeakPolarHBondContact O-CG1 3.29Å; I508-I512 PolarHBondContact O-N 2.84Å; I512-R514 VanDerWaalsContact C-N 3.28Å; I512-R514 PolarHBondContact O-N 3.42Å; I512-M515 PolarHBondContact O-N 3.04Å; I512-P516 WeakPolarHBondContact O-CD 3.47Å
513	K	88.5	Confident	88	Confident	183 Å²	183	71.2 Å²	71.2	80%	0.796	35%	0.346	S	S	*	.	H	α-helix	trans	-65.2	-30.6	179.4	-170.2	177.1	179.2	-178.6	0	112.7	R509 P510 W511	R509-K513 WeakPolarHBondContact O-CB 3.4Å; R509-K513 PolarHBondContact O-N 3.24Å; P510-K513 PolarHBondContact O-N 3.23Å; W511-K513 VanDerWaalsContact C-N 3.33Å; W511-K513 PolarHBondContact O-N 2.59Å
514	R	87.4	Confident	88.3	Confident	22 Å²	22	76.3 Å²	76.3	8%	0.083	36%	0.363	C	S	.	.	H	α-helix	trans	-73.1	-39.1	-179.2	-178.4	178.3	179.2	177.9	8.4	112.6	P510 W511 I512 G517 D518 G582 K820 P821 E881	P510-R514 WeakPolarHBondContact O-CB 3.29Å; P510-R514 PolarHBondContact O-N 3.4Å; W511-R514 PolarHBondContact O-N 2.74Å; I512-R514 VanDerWaalsContact C-N 3.28Å; I512-R514 PolarHBondContact O-N 3.42Å; R514-G517 PolarHBondContact O-N 3.27Å; R514-D518 IonicContact NE-OD1 3.18Å; R514-D518 PolarHBondContact NE-OD1 3.13Å; R514-D518 IonicContact NE-OD2 3.52Å; R514-D518 PolarHBondContact O-N 3.48Å; R514-G582 PolarHBondContact NH1-O 2.94Å; R514-K820 HydrophobicContact CG-CD 3.95Å; R514-P821 PolarHBondContact NH1-O 3.02Å; R514-E881 IonicContact CZ-OE2 2.64Å; R514-E881 IonicContact NH2-OE2 2.7Å; R514-E881 PolarHBondContact NH2-OE2 3.38Å
515	M	87.7	Confident	88.1	Confident	42 Å²	42	84 Å²	84	21%	0.207	40%	0.395	C	S	.	.	H	α-helix	trans	-52	-50.6	-168.9	-74.8	-165.8	-174.7	0	0	115.2	W511 I512 G517 D518 Y519	W511-M515 HydrophobicContact CD2-CE 3.95Å; W511-M515 HydrophobicContact CH2-CE 3.78Å; W511-M515 HydrophobicContact CZ2-CE 3.08Å; W511-M515 HydrophobicContact CZ3-CE 4.45Å; W511-M515 PolarHBondContact O-N 3.01Å; I512-M515 PolarHBondContact O-N 3.04Å; M515-G517 PolarHBondContact O-N 3.29Å; M515-D518 PolarHBondContact O-N 3.23Å; M515-D518 VanDerWaalsContact O-N 3.14Å; M515-Y519 VanDerWaalsContact O-CD2 3.31Å; M515-Y519 WeakPolarHBondContact O-CD2 3.31Å
516	P	89.2	Confident	88	Confident	75 Å²	75	86.9 Å²	86.9	49%	0.487	40%	0.401	S	S	.	.	H	α-helix	trans	-63.8	-28	-178	-21.3	34.2	0	0	0	112.7	I512 K520	I512-P516 WeakPolarHBondContact O-CD 3.47Å; P516-K520 VanDerWaalsContact O-CG 3.32Å; P516-K520 WeakPolarHBondContact O-CG 3.34Å; P516-K520 PolarHBondContact O-N 3.24Å
517	G	89.5	Confident	88.2	Confident	25 Å²	25	81.9 Å²	81.9	26%	0.258	38%	0.382	S	S	.	.	H	α-helix	trans	-68.1	-39.1	176.1	0	0	0	0	0	112.6	R514 M515 Y519 K520 D521	R514-G517 PolarHBondContact O-N 3.27Å; M515-G517 PolarHBondContact O-N 3.29Å; G517-Y519 PolarHBondContact O-N 3.08Å; G517-K520 PolarHBondContact O-N 2.85Å; G517-D521 WeakPolarHBondContact O-CB 3.39Å; G517-D521 VanDerWaalsContact O-CG 3.24Å; G517-D521 PolarHBondContact O-N 3.25Å
518	D	91.5	Very high	88.4	Confident	0 Å²	0	86.3 Å²	86.3	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-65.6	-36.6	-178.1	-61.4	-23.3	0	0	0	112.4	R514 M515 A522 K820 R883	R514-D518 IonicContact NE-OD1 3.18Å; R514-D518 PolarHBondContact NE-OD1 3.13Å; R514-D518 IonicContact NE-OD2 3.52Å; R514-D518 PolarHBondContact O-N 3.48Å; M515-D518 PolarHBondContact O-N 3.23Å; M515-D518 VanDerWaalsContact O-N 3.14Å; D518-A522 PolarHBondContact O-N 3.48Å; D518-K820 IonicContact OD1-NZ 2.96Å; D518-K820 PolarHBondContact OD1-NZ 3.5Å; D518-R883 HydrophobicContact CB-CG 3.96Å; D518-R883 IonicContact OD2-CZ 3.49Å; D518-R883 IonicContact OD2-NE 3.38Å; D518-R883 PolarHBondContact OD2-NE 3.49Å; D518-R883 IonicContact OD2-NH2 3.32Å; D518-R883 PolarHBondContact OD2-NH2 2.93Å
519	Y	92.7	Very high	88.2	Confident	86 Å²	86	87.6 Å²	87.6	34%	0.337	41%	0.414	S	S	.	.	H	α-helix	trans	-73.2	-39	175	-67.2	-74.7	0	0	0	112.3	M515 G517 D521 A522 I523 R883 V884	M515-Y519 VanDerWaalsContact O-CD2 3.31Å; M515-Y519 WeakPolarHBondContact O-CD2 3.31Å; G517-Y519 PolarHBondContact O-N 3.08Å; Y519-D521 VanDerWaalsContact C-N 3.32Å; Y519-D521 PolarHBondContact O-N 2.93Å; Y519-A522 WeakPolarHBondContact O-CB 3.37Å; Y519-A522 PolarHBondContact O-N 3.11Å; Y519-I523 PolarHBondContact O-N 3.43Å; Y519-R883 HydrophobicContact CE1-CB 4Å; Y519-V884 HydrophobicContact CD1-CG2 3.76Å; Y519-V884 HydrophobicContact CE1-CG2 4.24Å
520	K	91.6	Very high	88.2	Confident	156 Å²	156	79.7 Å²	79.7	68%	0.678	39%	0.388	S	S	*	.	H	α-helix	trans	-63.8	-38.8	174.1	-73.2	177.5	-178.2	-176.1	0	111.7	P516 G517 A522 I523 R524	P516-K520 VanDerWaalsContact O-CG 3.32Å; P516-K520 WeakPolarHBondContact O-CG 3.34Å; P516-K520 PolarHBondContact O-N 3.24Å; G517-K520 PolarHBondContact O-N 2.85Å; K520-A522 VanDerWaalsContact C-N 3.31Å; K520-A522 PolarHBondContact O-N 3.44Å; K520-I523 PolarHBondContact O-N 3.45Å; K520-R524 PolarHBondContact O-N 3.2Å
521	D	89.7	Confident	88.2	Confident	42 Å²	42	76.8 Å²	76.8	23%	0.225	37%	0.368	C	S	.	.	H	α-helix	trans	-66	-32.7	177.3	-75.6	-23.9	0	0	0	112	G517 Y519 I523 N527 K820 E881	G517-D521 WeakPolarHBondContact O-CB 3.39Å; G517-D521 VanDerWaalsContact O-CG 3.24Å; G517-D521 PolarHBondContact O-N 3.25Å; Y519-D521 VanDerWaalsContact C-N 3.32Å; Y519-D521 PolarHBondContact O-N 2.93Å; D521-I523 PolarHBondContact O-N 2.88Å; D521-N527 WeakPolarHBondContact O-CB 3.42Å; D521-N527 PolarHBondContact O-ND2 2.93Å; D521-K820 WeakPolarHBondContact OD2-CE 3.36Å; D521-K820 IonicContact OD2-NZ 2.79Å; D521-K820 PolarHBondContact OD2-NZ 3.38Å; D521-E881 WeakPolarHBondContact CB-O 3.36Å
522	A	89.5	Confident	88.1	Confident	0 Å²	0	79 Å²	79	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-65.6	-36.4	175.9	0	0	0	0	0	113.4	D518 Y519 K520 Q882 V884	D518-A522 PolarHBondContact O-N 3.48Å; Y519-A522 WeakPolarHBondContact O-CB 3.37Å; Y519-A522 PolarHBondContact O-N 3.11Å; K520-A522 VanDerWaalsContact C-N 3.31Å; K520-A522 PolarHBondContact O-N 3.44Å; A522-Q882 HydrophobicContact CB-CB 3.95Å; A522-V884 HydrophobicContact CB-CB 3.99Å; A522-V884 HydrophobicContact CB-CG2 3.54Å
523	I	90.4	Very high	87.8	Confident	119 Å²	119	77 Å²	77	61%	0.61	38%	0.383	S	S	*	.	H	α-helix	trans	-91.5	-12.9	-172.5	-59.9	170.9	0	0	0	112.3	Y519 K520 D521 K525	Y519-I523 PolarHBondContact O-N 3.43Å; K520-I523 PolarHBondContact O-N 3.45Å; D521-I523 PolarHBondContact O-N 2.88Å; I523-K525 PolarHBondContact O-N 3.29Å
524	R	88.5	Confident	87.6	Confident	147 Å²	147	68.5 Å²	68.5	56%	0.555	35%	0.347	S	S	*	.	S	Bend	trans	-55.2	135.3	177.2	-175.4	179.9	-86.2	-145.6	-0.6	110.8	K520 E526 N527 F528	K520-R524 PolarHBondContact O-N 3.2Å; R524-E526 VanDerWaalsContact C-N 3.25Å; R524-E526 PolarHBondContact O-N 3.2Å; R524-E526 VanDerWaalsContact O-N 3.08Å; R524-N527 HydrophobicContact CB-CB 4.42Å; R524-N527 WeakPolarHBondContact O-CA 3.46Å; R524-N527 PolarHBondContact O-N 3.4Å; R524-F528 PolarHBondContact O-N 2.81Å
525	K	82.2	Confident	87.7	Confident	200 Å²	200	68.1 Å²	68.1	87%	0.87	35%	0.347	S	S	*	.	H	α-helix	trans	-48.8	-40.7	-174.1	-169.7	178.7	-179	180	0	114.3	I523 N527	I523-K525 PolarHBondContact O-N 3.29Å; K525-N527 VanDerWaalsContact C-N 3.34Å
526	E	82.8	Confident	87.5	Confident	132 Å²	132	70.5 Å²	70.5	62%	0.617	36%	0.36	S	S	*	.	H	α-helix	trans	-69.7	-28.6	178.2	-64.5	171.1	-166.4	0	0	113.8	R524 K863	R524-E526 VanDerWaalsContact C-N 3.25Å; R524-E526 PolarHBondContact O-N 3.2Å; R524-E526 VanDerWaalsContact O-N 3.08Å; E526-K863 IonicContact OE2-NZ 3.69Å
527	N	87.6	Confident	87.1	Confident	6 Å²	6	68.7 Å²	68.7	3%	0.032	34%	0.344	C	S	.	.	H	α-helix	trans	-96.7	-32.3	-172.3	-64.4	-4.2	0	0	0	111.9	D521 R524 K525 S529 I530 V531 K863 V880	D521-N527 WeakPolarHBondContact O-CB 3.42Å; D521-N527 PolarHBondContact O-ND2 2.93Å; R524-N527 HydrophobicContact CB-CB 4.42Å; R524-N527 WeakPolarHBondContact O-CA 3.46Å; R524-N527 PolarHBondContact O-N 3.4Å; K525-N527 VanDerWaalsContact C-N 3.34Å; N527-S529 VanDerWaalsContact C-N 3.31Å; N527-S529 PolarHBondContact O-N 3.07Å; N527-I530 WeakPolarHBondContact O-CA 3.37Å; N527-I530 WeakPolarHBondContact O-CB 3.46Å; N527-I530 PolarHBondContact O-N 2.78Å; N527-V531 WeakPolarHBondContact O-CG2 3.35Å; N527-V531 PolarHBondContact O-N 2.89Å; N527-K863 WeakPolarHBondContact OD1-CE 3.43Å; N527-K863 PolarHBondContact OD1-NZ 3.27Å; N527-V880 HydrophobicContact CB-CG1 3.92Å; N527-V880 HydrophobicContact CB-CG2 4.3Å
528	F	87.7	Confident	86.9	Confident	100 Å²	100	67.6 Å²	67.6	44%	0.439	33%	0.333	S	S	.	.	H	α-helix	trans	-50.4	-48.5	-173.1	-177.7	-92.7	0	0	0	112.6	R524 I530 V531 F532	R524-F528 PolarHBondContact O-N 2.81Å; F528-I530 VanDerWaalsContact C-N 3.3Å; F528-I530 PolarHBondContact O-N 3.46Å; F528-V531 PolarHBondContact O-N 3.29Å; F528-F532 HydrophobicContact CD1-CD2 4.36Å; F528-F532 AromaticContact CD2-CD2 3.68Å; F528-F532 HydrophobicContact CD2-CD2 3.68Å; F528-F532 AromaticContact CD2-CE2 3.63Å; F528-F532 HydrophobicContact CD2-CE2 3.63Å; F528-F532 HydrophobicContact CE1-CD2 4.13Å; F528-F532 AromaticContact CE2-CD2 3.43Å; F528-F532 HydrophobicContact CE2-CD2 3.43Å; F528-F532 VanDerWaalsContact CE2-CD2 3.43Å; F528-F532 AromaticContact CE2-CE2 3.19Å; F528-F532 HydrophobicContact CE2-CE2 3.19Å; F528-F532 HydrophobicContact CE2-CZ 4.11Å; F528-F532 HydrophobicContact CG-CD2 4.15Å; F528-F532 AromaticContact CZ-CD2 3.67Å; F528-F532 HydrophobicContact CZ-CD2 3.67Å; F528-F532 AromaticContact CZ-CE2 3.78Å; F528-F532 HydrophobicContact CZ-CE2 3.78Å; F528-F532 HydrophobicContact CZ-CG 4.37Å; F528-F532 PolarHBondContact O-N 3.33Å
529	S	84	Confident	86.9	Confident	93 Å²	93	68.6 Å²	68.6	65%	0.65	34%	0.337	S	S	*	.	H	α-helix	trans	-64.6	-32	178.7	180	0	0	0	0	113.3	N527 G533	N527-S529 VanDerWaalsContact C-N 3.31Å; N527-S529 PolarHBondContact O-N 3.07Å; S529-G533 WeakPolarHBondContact O-CA 3.4Å; S529-G533 PolarHBondContact O-N 3.3Å; S529-G533 VanDerWaalsContact O-N 3.12Å
530	I	85.5	Confident	86.4	Confident	47 Å²	47	67.2 Å²	67.2	24%	0.241	33%	0.332	C	S	.	.	H	α-helix	trans	-74.5	-46.7	179.3	-58.4	173.9	0	0	0	109.3	N527 F528 S534 K863 V880	N527-I530 WeakPolarHBondContact O-CA 3.37Å; N527-I530 WeakPolarHBondContact O-CB 3.46Å; N527-I530 PolarHBondContact O-N 2.78Å; F528-I530 VanDerWaalsContact C-N 3.3Å; F528-I530 PolarHBondContact O-N 3.46Å; I530-S534 VanDerWaalsContact O-CB 3.31Å; I530-S534 WeakPolarHBondContact O-CB 3.43Å; I530-S534 PolarHBondContact O-N 3.43Å; I530-S534 PolarHBondContact O-OG 3.03Å; I530-K863 HydrophobicContact CD1-CG 4Å; I530-V880 HydrophobicContact CD1-CG2 4.33Å; I530-V880 HydrophobicContact CG2-CG2 4.39Å
531	V	87.7	Confident	85.9	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-62.8	-57.5	-178.5	178.5	0	0	0	0	110.7	N527 F528 G533 S534 V535 L861 V880 Q882	N527-V531 WeakPolarHBondContact O-CG2 3.35Å; N527-V531 PolarHBondContact O-N 2.89Å; F528-V531 PolarHBondContact O-N 3.29Å; V531-G533 VanDerWaalsContact C-N 3.32Å; V531-G533 PolarHBondContact O-N 3.17Å; V531-S534 PolarHBondContact O-N 2.98Å; V531-S534 VanDerWaalsContact O-N 3.07Å; V531-S534 PolarHBondContact O-OG 3.47Å; V531-V535 PolarHBondContact O-N 2.97Å; V531-L861 HydrophobicContact CG2-CD2 4.34Å; V531-V880 HydrophobicContact CG2-CG1 3.77Å; V531-Q882 HydrophobicContact CG1-CG 4.42Å; V531-Q882 HydrophobicContact CG2-CG 4.03Å
532	F	87.5	Confident	85.8	Confident	84 Å²	84	59.4 Å²	59.4	37%	0.368	30%	0.299	S	S	.	.	H	α-helix	trans	-68.2	-32.2	-178.7	-79	-83.1	0	0	0	112.7	F528 S534 V535 F888	F528-F532 HydrophobicContact CD1-CD2 4.36Å; F528-F532 AromaticContact CD2-CD2 3.68Å; F528-F532 HydrophobicContact CD2-CD2 3.68Å; F528-F532 AromaticContact CD2-CE2 3.63Å; F528-F532 HydrophobicContact CD2-CE2 3.63Å; F528-F532 HydrophobicContact CE1-CD2 4.13Å; F528-F532 AromaticContact CE2-CD2 3.43Å; F528-F532 HydrophobicContact CE2-CD2 3.43Å; F528-F532 VanDerWaalsContact CE2-CD2 3.43Å; F528-F532 AromaticContact CE2-CE2 3.19Å; F528-F532 HydrophobicContact CE2-CE2 3.19Å; F528-F532 HydrophobicContact CE2-CZ 4.11Å; F528-F532 HydrophobicContact CG-CD2 4.15Å; F528-F532 AromaticContact CZ-CD2 3.67Å; F528-F532 HydrophobicContact CZ-CD2 3.67Å; F528-F532 AromaticContact CZ-CE2 3.78Å; F528-F532 HydrophobicContact CZ-CE2 3.78Å; F528-F532 HydrophobicContact CZ-CG 4.37Å; F528-F532 PolarHBondContact O-N 3.33Å; F532-S534 PolarHBondContact O-N 3.39Å; F532-V535 PolarHBondContact O-N 3.44Å; F532-F888 HydrophobicContact CE1-CD2 4.34Å; F532-F888 AromaticContact CE1-CE2 3.71Å; F532-F888 HydrophobicContact CE1-CE2 3.71Å; F532-F888 HydrophobicContact CE1-CZ 4.05Å; F532-F888 AromaticContact CZ-CE2 3.96Å; F532-F888 HydrophobicContact CZ-CE2 3.96Å; F532-F888 HydrophobicContact CZ-CZ 4.45Å
533	G	82.2	Confident	85.7	Confident	57 Å²	57	59.9 Å²	59.9	59%	0.588	30%	0.302	S	S	*	.	H	α-helix	trans	-64.8	-25.9	171.9	0	0	0	0	0	113.7	S529 V531	S529-G533 WeakPolarHBondContact O-CA 3.4Å; S529-G533 PolarHBondContact O-N 3.3Å; S529-G533 VanDerWaalsContact O-N 3.12Å; V531-G533 VanDerWaalsContact C-N 3.32Å; V531-G533 PolarHBondContact O-N 3.17Å
534	S	84.8	Confident	85.3	Confident	5 Å²	5	54.5 Å²	54.5	4%	0.035	28%	0.275	C	S	.	.	H	α-helix	trans	-84.5	-25	179.7	73.2	0	0	0	0	114.3	I530 V531 F532 L536 F537 I538	I530-S534 VanDerWaalsContact O-CB 3.31Å; I530-S534 WeakPolarHBondContact O-CB 3.43Å; I530-S534 PolarHBondContact O-N 3.43Å; I530-S534 PolarHBondContact O-OG 3.03Å; V531-S534 PolarHBondContact O-N 2.98Å; V531-S534 VanDerWaalsContact O-N 3.07Å; V531-S534 PolarHBondContact O-OG 3.47Å; F532-S534 PolarHBondContact O-N 3.39Å; S534-L536 PolarHBondContact O-N 3.28Å; S534-F537 WeakPolarHBondContact O-CB 3.37Å; S534-F537 PolarHBondContact O-N 3.38Å; S534-F537 VanDerWaalsContact O-N 3.13Å; S534-I538 WeakPolarHBondContact O-CD1 3.49Å; S534-I538 VanDerWaalsContact O-CG1 3.25Å; S534-I538 WeakPolarHBondContact O-CG1 3.32Å; S534-I538 PolarHBondContact O-N 3.37Å; S534-I538 WeakPolarHBondContact OG-CD1 3.1Å
535	V	90.1	Very high	85.1	Confident	15 Å²	15	47.7 Å²	47.7	9%	0.091	25%	0.249	C	C	.	.	H	α-helix	trans	-55.1	-49.5	-172.5	172.2	0	0	0	0	111.8	V531 F532 F537 I538 Y539 F888 V889 L892	V531-V535 PolarHBondContact O-N 2.97Å; F532-V535 PolarHBondContact O-N 3.44Å; V535-F537 VanDerWaalsContact C-N 3.32Å; V535-F537 PolarHBondContact O-N 3.48Å; V535-I538 PolarHBondContact O-N 3.19Å; V535-Y539 WeakPolarHBondContact O-CB 3.49Å; V535-Y539 PolarHBondContact O-N 3.17Å; V535-F888 HydrophobicContact CG1-CB 3.83Å; V535-F888 HydrophobicContact CG2-CB 4.3Å; V535-V889 HydrophobicContact CG1-CG2 4.31Å; V535-L892 HydrophobicContact CG1-CD1 3.86Å
536	L	83.3	Confident	85.5	Confident	92 Å²	92	38.3 Å²	38.3	48%	0.482	21%	0.209	S	C	.	.	H	α-helix	trans	-65.8	-36	-177.5	-171.7	135.4	0	0	0	112.2	S534 F540 L729	S534-L536 PolarHBondContact O-N 3.28Å; L536-F540 HydrophobicContact CD2-CD2 4.08Å; L536-F540 HydrophobicContact CD2-CE2 3.86Å; L536-F540 HydrophobicContact CG-CD2 4.32Å; L536-F540 HydrophobicContact CG-CE2 4.01Å; L536-F540 WeakPolarHBondContact O-CD2 3.4Å; L536-F540 PolarHBondContact O-N 3.31Å; L536-L729 HydrophobicContact CD2-CD2 3.46Å; L536-L729 VanDerWaalsContact CD2-CD2 3.46Å
537	F	80.6	Confident	85.7	Confident	36 Å²	36	32.1 Å²	32.1	16%	0.158	18%	0.18	C	C	.	.	H	α-helix	trans	-65.1	-50.2	173.8	171.8	-111.5	0	0	0	111.5	S534 V535 Y539 F540 V541 A728 A860	S534-F537 WeakPolarHBondContact O-CB 3.37Å; S534-F537 PolarHBondContact O-N 3.38Å; S534-F537 VanDerWaalsContact O-N 3.13Å; V535-F537 VanDerWaalsContact C-N 3.32Å; V535-F537 PolarHBondContact O-N 3.48Å; F537-Y539 VanDerWaalsContact C-N 3.26Å; F537-Y539 PolarHBondContact O-N 3.25Å; F537-F540 PolarHBondContact O-N 3.07Å; F537-V541 HydrophobicContact CD2-CG2 4.14Å; F537-V541 HydrophobicContact CE1-CG2 4.13Å; F537-V541 HydrophobicContact CE2-CG2 3.73Å; F537-V541 HydrophobicContact CZ-CG2 3.73Å; F537-V541 WeakPolarHBondContact O-CG2 3.34Å; F537-V541 PolarHBondContact O-N 3Å; F537-V541 VanDerWaalsContact O-N 3.08Å; F537-A728 HydrophobicContact CB-CB 4.24Å; F537-A728 HydrophobicContact CD2-CB 3.55Å; F537-A728 WeakPolarHBondContact CD2-O 3.1Å; F537-A728 HydrophobicContact CE2-CB 4.25Å; F537-A728 HydrophobicContact CG-CB 4.16Å; F537-A860 HydrophobicContact CD1-CB 3.67Å; F537-A860 HydrophobicContact CE1-CB 4Å
538	I	85.8	Confident	85.5	Confident	2 Å²	2	32 Å²	32	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-64.7	-34.1	-178.4	-58.9	155.4	0	0	0	110.9	S534 V535 V541 N542 I587 N857 A860 V889	S534-I538 WeakPolarHBondContact O-CD1 3.49Å; S534-I538 VanDerWaalsContact O-CG1 3.25Å; S534-I538 WeakPolarHBondContact O-CG1 3.32Å; S534-I538 PolarHBondContact O-N 3.37Å; S534-I538 WeakPolarHBondContact OG-CD1 3.1Å; V535-I538 PolarHBondContact O-N 3.19Å; I538-V541 PolarHBondContact O-N 3.18Å; I538-N542 WeakPolarHBondContact CG2-ND2 3.35Å; I538-N542 WeakPolarHBondContact O-CB 3.02Å; I538-N542 PolarHBondContact O-N 3.23Å; I538-N542 VanDerWaalsContact O-N 3.09Å; I538-N542 PolarHBondContact O-ND2 3.43Å; I538-I587 HydrophobicContact CG2-CD1 3.96Å; I538-N857 WeakPolarHBondContact CD1-OD1 3.42Å; I538-N857 HydrophobicContact CG1-CB 4.46Å; I538-N857 WeakPolarHBondContact CG1-OD1 3.47Å; I538-A860 HydrophobicContact CG1-CB 4.42Å; I538-V889 HydrophobicContact CB-CG2 3.76Å; I538-V889 HydrophobicContact CG2-CB 4.41Å; I538-V889 HydrophobicContact CG2-CG1 4.17Å; I538-V889 HydrophobicContact CG2-CG2 3.68Å
539	Y	90.1	Very high	85.5	Confident	21 Å²	21	27.3 Å²	27.3	8%	0.082	16%	0.159	C	C	.	.	H	α-helix	trans	-56.5	-53.7	173.9	165.6	-110.1	0	0	0	111.8	V535 F537 V541 N542 L543 L892 V893 S896	V535-Y539 WeakPolarHBondContact O-CB 3.49Å; V535-Y539 PolarHBondContact O-N 3.17Å; F537-Y539 VanDerWaalsContact C-N 3.26Å; F537-Y539 PolarHBondContact O-N 3.25Å; Y539-V541 PolarHBondContact O-N 2.96Å; Y539-N542 PolarHBondContact O-N 2.96Å; Y539-N542 VanDerWaalsContact O-N 3.14Å; Y539-L543 HydrophobicContact CE1-CD2 4.11Å; Y539-L543 HydrophobicContact CE2-CB 4.31Å; Y539-L543 HydrophobicContact CE2-CD1 4.39Å; Y539-L543 HydrophobicContact CE2-CD2 4.26Å; Y539-L543 WeakPolarHBondContact O-CB 3.5Å; Y539-L543 PolarHBondContact O-N 3.38Å; Y539-L543 WeakPolarHBondContact OH-CD2 3.32Å; Y539-L892 HydrophobicContact CD2-CB 3.49Å; Y539-L892 VanDerWaalsContact CD2-CB 3.49Å; Y539-L892 HydrophobicContact CD2-CD1 4.4Å; Y539-L892 HydrophobicContact CE2-CB 3.72Å; Y539-L892 HydrophobicContact CG-CB 4.22Å; Y539-L892 HydrophobicContact CG-CD1 4.33Å; Y539-V893 HydrophobicContact CD2-CG2 3.92Å; Y539-V893 HydrophobicContact CE2-CG2 4.15Å; Y539-S896 VanDerWaalsContact CE2-OG 3.27Å; Y539-S896 WeakPolarHBondContact CE2-OG 3.16Å; Y539-S896 PolarHBondContact OH-OG 3.11Å
540	F	83.7	Confident	85.8	Confident	57 Å²	57	22.9 Å²	22.9	25%	0.25	13%	0.128	C	C	.	.	H	α-helix	trans	-69.7	-33.4	-179	-73.8	-62.5	0	0	0	113.5	L536 F537 N542 L543 S544 L729 P732	L536-F540 HydrophobicContact CD2-CD2 4.08Å; L536-F540 HydrophobicContact CD2-CE2 3.86Å; L536-F540 HydrophobicContact CG-CD2 4.32Å; L536-F540 HydrophobicContact CG-CE2 4.01Å; L536-F540 WeakPolarHBondContact O-CD2 3.4Å; L536-F540 PolarHBondContact O-N 3.31Å; F537-F540 PolarHBondContact O-N 3.07Å; F540-N542 PolarHBondContact O-N 2.93Å; F540-L543 HydrophobicContact CD1-CD2 4.34Å; F540-S544 VanDerWaalsContact O-CB 3.23Å; F540-S544 WeakPolarHBondContact O-CB 3.25Å; F540-S544 PolarHBondContact O-N 3.32Å; F540-L729 HydrophobicContact CD2-CD2 4.24Å; F540-L729 HydrophobicContact CE2-CD2 4.21Å; F540-P732 HydrophobicContact CB-CG 3.6Å; F540-P732 HydrophobicContact CD1-CB 4.12Å; F540-P732 HydrophobicContact CD1-CG 3.35Å; F540-P732 HydrophobicContact CD2-CG 3.55Å; F540-P732 HydrophobicContact CE1-CB 4.08Å; F540-P732 HydrophobicContact CE1-CG 3.79Å; F540-P732 HydrophobicContact CE2-CB 4.48Å; F540-P732 HydrophobicContact CE2-CG 3.98Å; F540-P732 HydrophobicContact CG-CB 4.32Å; F540-P732 HydrophobicContact CG-CG 3.21Å; F540-P732 HydrophobicContact CZ-CB 4.27Å; F540-P732 HydrophobicContact CZ-CG 4.08Å
541	V	80.4	Confident	85.7	Confident	34 Å²	34	21.3 Å²	21.3	21%	0.206	12%	0.122	C	C	.	.	H	α-helix	trans	-61.7	-29	172.7	169.9	0	0	0	0	111.8	F537 I538 Y539 P545 R853	F537-V541 HydrophobicContact CD2-CG2 4.14Å; F537-V541 HydrophobicContact CE1-CG2 4.13Å; F537-V541 HydrophobicContact CE2-CG2 3.73Å; F537-V541 HydrophobicContact CZ-CG2 3.73Å; F537-V541 WeakPolarHBondContact O-CG2 3.34Å; F537-V541 PolarHBondContact O-N 3Å; F537-V541 VanDerWaalsContact O-N 3.08Å; I538-V541 PolarHBondContact O-N 3.18Å; Y539-V541 PolarHBondContact O-N 2.96Å; V541-P545 WeakPolarHBondContact O-CD 3.44Å; V541-P545 VanDerWaalsContact O-CG 3.32Å; V541-P545 WeakPolarHBondContact O-CG 3.3Å; V541-R853 HydrophobicContact CG1-CB 4.49Å; V541-R853 HydrophobicContact CG1-CG 4.36Å
542	N	88	Confident	85.6	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-90.8	-44.4	177.8	-82.6	-65.4	0	0	0	113.9	I538 Y539 F540 S544 S546 I587 R853 V889 V893	I538-N542 WeakPolarHBondContact CG2-ND2 3.35Å; I538-N542 WeakPolarHBondContact O-CB 3.02Å; I538-N542 PolarHBondContact O-N 3.23Å; I538-N542 VanDerWaalsContact O-N 3.09Å; I538-N542 PolarHBondContact O-ND2 3.43Å; Y539-N542 PolarHBondContact O-N 2.96Å; Y539-N542 VanDerWaalsContact O-N 3.14Å; F540-N542 PolarHBondContact O-N 2.93Å; N542-S544 VanDerWaalsContact C-N 3.3Å; N542-S544 PolarHBondContact O-N 2.9Å; N542-S546 WeakPolarHBondContact O-CB 3.3Å; N542-S546 PolarHBondContact O-N 3.17Å; N542-S546 PolarHBondContact O-OG 2.92Å; N542-I587 WeakPolarHBondContact OD1-CG2 3.4Å; N542-R853 WeakPolarHBondContact OD1-CD 3.35Å; N542-R853 PolarHBondContact OD1-NH1 2.74Å; N542-V889 HydrophobicContact CB-CG1 4.28Å; N542-V893 HydrophobicContact CB-CG2 4.32Å
543	L	87.8	Confident	85.7	Confident	10 Å²	10	17.7 Å²	17.7	5%	0.052	11%	0.107	C	C	.	.	H	α-helix	trans	-58.8	-45.3	-176.8	-179	71.3	0	0	0	111.1	Y539 F540 S546 I547 L567	Y539-L543 HydrophobicContact CE1-CD2 4.11Å; Y539-L543 HydrophobicContact CE2-CB 4.31Å; Y539-L543 HydrophobicContact CE2-CD1 4.39Å; Y539-L543 HydrophobicContact CE2-CD2 4.26Å; Y539-L543 WeakPolarHBondContact O-CB 3.5Å; Y539-L543 PolarHBondContact O-N 3.38Å; Y539-L543 WeakPolarHBondContact OH-CD2 3.32Å; F540-L543 HydrophobicContact CD1-CD2 4.34Å; L543-S546 WeakPolarHBondContact O-CB 3.43Å; L543-S546 PolarHBondContact O-N 3.43Å; L543-S546 VanDerWaalsContact O-N 3.17Å; L543-I547 HydrophobicContact CD1-CD1 4.02Å; L543-I547 HydrophobicContact CD1-CG1 4.29Å; L543-I547 HydrophobicContact CD2-CD1 4.22Å; L543-I547 HydrophobicContact CG-CD1 3.74Å; L543-I547 HydrophobicContact CG-CG1 4.33Å; L543-I547 WeakPolarHBondContact O-CG1 3.17Å; L543-I547 PolarHBondContact O-N 2.86Å; L543-L567 HydrophobicContact CD1-CD2 4.02Å
544	S	81.6	Confident	86	Confident	6 Å²	6	17.2 Å²	17.2	4%	0.042	9%	0.091	C	C	.	.	H	α-helix	trans	-62.6	-55.8	-171.4	-177.3	0	0	0	0	112.9	F540 N542 S546 I547 T548 V731 M735 M914	F540-S544 VanDerWaalsContact O-CB 3.23Å; F540-S544 WeakPolarHBondContact O-CB 3.25Å; F540-S544 PolarHBondContact O-N 3.32Å; N542-S544 VanDerWaalsContact C-N 3.3Å; N542-S544 PolarHBondContact O-N 2.9Å; S544-S546 VanDerWaalsContact C-N 3.25Å; S544-S546 PolarHBondContact O-N 2.97Å; S544-I547 PolarHBondContact O-N 3.32Å; S544-T548 PolarHBondContact O-N 2.88Å; S544-T548 PolarHBondContact O-OG1 3.44Å; S544-V731 WeakPolarHBondContact OG-CG1 3.08Å; S544-M735 WeakPolarHBondContact OG-CE 3.46Å; S544-M914 WeakPolarHBondContact O-CE 3.39Å; S544-M914 WeakPolarHBondContact OG-CE 3.39Å; S544-M914 VanDerWaalsContact OG-CG 3.25Å; S544-M914 WeakPolarHBondContact OG-CG 3.48Å; S544-M914 PolarHBondContact OG-SD 3.14Å
545	P	84.5	Confident	86	Confident	4 Å²	4	21.8 Å²	21.8	3%	0.026	12%	0.118	C	C	.	.	H	α-helix	trans	-56.8	-37.5	170.8	-22	28.7	0	0	0	113.7	V541 T548 F549 M918	V541-P545 WeakPolarHBondContact O-CD 3.44Å; V541-P545 VanDerWaalsContact O-CG 3.32Å; V541-P545 WeakPolarHBondContact O-CG 3.3Å; P545-T548 PolarHBondContact O-N 2.52Å; P545-F549 HydrophobicContact CB-CD2 4.46Å; P545-F549 VanDerWaalsContact O-CD2 3.32Å; P545-F549 WeakPolarHBondContact O-CD2 3.35Å; P545-F549 PolarHBondContact O-N 3.27Å; P545-M918 HydrophobicContact CB-CE 4.34Å; P545-M918 HydrophobicContact CB-SD 4.45Å; P545-M918 HydrophobicContact CG-CE 4.1Å; P545-M918 HydrophobicContact CG-SD 3.62Å
546	S	89.3	Confident	85.6	Confident	3 Å²	3	24.6 Å²	24.6	2%	0.021	13%	0.13	C	C	.	.	H	α-helix	trans	-64.8	-44.7	-176.7	-56.8	0	0	0	0	111.7	N542 L543 S544 T548 A550	N542-S546 WeakPolarHBondContact O-CB 3.3Å; N542-S546 PolarHBondContact O-N 3.17Å; N542-S546 PolarHBondContact O-OG 2.92Å; L543-S546 WeakPolarHBondContact O-CB 3.43Å; L543-S546 PolarHBondContact O-N 3.43Å; L543-S546 VanDerWaalsContact O-N 3.17Å; S544-S546 VanDerWaalsContact C-N 3.25Å; S544-S546 PolarHBondContact O-N 2.97Å; S546-T548 VanDerWaalsContact C-N 3.25Å; S546-T548 PolarHBondContact O-N 2.72Å; S546-A550 WeakPolarHBondContact O-CB 3.42Å; S546-A550 PolarHBondContact O-N 3.19Å
547	I	87.5	Confident	85.9	Confident	2 Å²	2	20.4 Å²	20.4	1%	0.01	11%	0.109	C	C	.	.	H	α-helix	trans	-60.3	-38.6	174.5	-66.8	170.6	0	0	0	110.9	L543 S544 A550 A551 L567 V754 L903 L911	L543-I547 HydrophobicContact CD1-CD1 4.02Å; L543-I547 HydrophobicContact CD1-CG1 4.29Å; L543-I547 HydrophobicContact CD2-CD1 4.22Å; L543-I547 HydrophobicContact CG-CD1 3.74Å; L543-I547 HydrophobicContact CG-CG1 4.33Å; L543-I547 WeakPolarHBondContact O-CG1 3.17Å; L543-I547 PolarHBondContact O-N 2.86Å; S544-I547 PolarHBondContact O-N 3.32Å; I547-A550 WeakPolarHBondContact O-CB 3.41Å; I547-A550 PolarHBondContact O-N 3.29Å; I547-A551 PolarHBondContact O-N 3.32Å; I547-L567 HydrophobicContact CG1-CD1 4.38Å; I547-L567 HydrophobicContact CG1-CD2 4.06Å; I547-V754 HydrophobicContact CG2-CG1 4.04Å; I547-V754 HydrophobicContact CG2-CG2 4.21Å; I547-L903 HydrophobicContact CD1-CD1 4.31Å; I547-L903 HydrophobicContact CD1-CD2 3.87Å; I547-L911 HydrophobicContact CG2-CD1 4.01Å; I547-L911 HydrophobicContact CG2-CD2 4.14Å
548	T	83.1	Confident	86.3	Confident	3 Å²	3	21 Å²	21	2%	0.018	11%	0.113	C	C	.	.	H	α-helix	trans	-74	-45.1	-176.2	-44.8	0	0	0	0	111.9	S544 P545 S546 A550 A551 L552 L911 M914 F915	S544-T548 PolarHBondContact O-N 2.88Å; S544-T548 PolarHBondContact O-OG1 3.44Å; P545-T548 PolarHBondContact O-N 2.52Å; S546-T548 VanDerWaalsContact C-N 3.25Å; S546-T548 PolarHBondContact O-N 2.72Å; T548-A550 VanDerWaalsContact C-N 3.28Å; T548-A550 PolarHBondContact O-N 3.29Å; T548-A551 PolarHBondContact O-N 2.87Å; T548-L552 WeakPolarHBondContact O-CG 3.29Å; T548-L552 PolarHBondContact O-N 2.86Å; T548-L911 HydrophobicContact CG2-CB 4Å; T548-M914 WeakPolarHBondContact OG1-CE 3.44Å; T548-F915 HydrophobicContact CG2-CD1 3.61Å; T548-F915 HydrophobicContact CG2-CD2 4.04Å; T548-F915 HydrophobicContact CG2-CE1 3.21Å; T548-F915 HydrophobicContact CG2-CE2 3.64Å; T548-F915 HydrophobicContact CG2-CG 4.05Å; T548-F915 HydrophobicContact CG2-CZ 3.22Å
549	F	88.9	Confident	86.4	Confident	3 Å²	3	25.5 Å²	25.5	1%	0.013	14%	0.143	C	C	.	.	H	α-helix	trans	-64.2	-35.8	173.4	-81	-61.9	0	0	0	112	P545 L552 L553 I590 A592 Y595 F657 F658 F915	P545-F549 HydrophobicContact CB-CD2 4.46Å; P545-F549 VanDerWaalsContact O-CD2 3.32Å; P545-F549 WeakPolarHBondContact O-CD2 3.35Å; P545-F549 PolarHBondContact O-N 3.27Å; F549-L552 PolarHBondContact O-N 3.36Å; F549-L553 WeakPolarHBondContact O-CB 3.33Å; F549-L553 VanDerWaalsContact O-CG 3.3Å; F549-L553 WeakPolarHBondContact O-CG 3.38Å; F549-L553 PolarHBondContact O-N 2.87Å; F549-I590 HydrophobicContact CB-CB 4.02Å; F549-I590 HydrophobicContact CB-CD1 4.06Å; F549-I590 HydrophobicContact CB-CG2 3.76Å; F549-I590 HydrophobicContact CD1-CG2 4.07Å; F549-I590 HydrophobicContact CD2-CB 4.19Å; F549-I590 HydrophobicContact CD2-CG2 4.13Å; F549-I590 HydrophobicContact CG-CB 4.17Å; F549-I590 HydrophobicContact CG-CG2 3.74Å; F549-A592 HydrophobicContact CZ-CB 4.39Å; F549-Y595 HydrophobicContact CD1-CD2 4.45Å; F549-Y595 HydrophobicContact CD1-CG 4.47Å; F549-Y595 HydrophobicContact CE1-CG 4.49Å; F549-F657 HydrophobicContact CE1-CE1 4.44Å; F549-F658 HydrophobicContact CE1-CE1 4.5Å; F549-F658 AromaticContact CE2-CE1 3.76Å; F549-F658 HydrophobicContact CE2-CE1 3.76Å; F549-F658 AromaticContact CE2-CZ 4Å; F549-F658 HydrophobicContact CE2-CZ 4Å; F549-F658 AromaticContact CZ-CE1 3.47Å; F549-F658 HydrophobicContact CZ-CE1 3.47Å; F549-F658 VanDerWaalsContact CZ-CE1 3.47Å; F549-F658 AromaticContact CZ-CZ 3.95Å; F549-F658 HydrophobicContact CZ-CZ 3.95Å; F549-F915 HydrophobicContact CD1-CZ 4.5Å; F549-F915 HydrophobicContact CE1-CZ 4.38Å; F549-F915 HydrophobicContact CE2-CZ 4.41Å; F549-F915 HydrophobicContact CZ-CZ 4.35Å
550	A	89.3	Confident	86.2	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-58.4	-47.4	172.8	0	0	0	0	0	112.3	S546 I547 T548 L552 L553 N554 V563 T566	S546-A550 WeakPolarHBondContact O-CB 3.42Å; S546-A550 PolarHBondContact O-N 3.19Å; I547-A550 WeakPolarHBondContact O-CB 3.41Å; I547-A550 PolarHBondContact O-N 3.29Å; T548-A550 VanDerWaalsContact C-N 3.28Å; T548-A550 PolarHBondContact O-N 3.29Å; A550-L552 VanDerWaalsContact C-N 3.34Å; A550-L552 PolarHBondContact O-N 3.01Å; A550-L553 PolarHBondContact O-N 3.41Å; A550-N554 WeakPolarHBondContact O-CB 3.48Å; A550-N554 PolarHBondContact O-N 3.49Å; A550-V563 HydrophobicContact CB-CB 4.2Å; A550-V563 HydrophobicContact CB-CG1 3.89Å; A550-V563 HydrophobicContact CB-CG2 4.07Å; A550-T566 HydrophobicContact CB-CG2 4.29Å; A550-T566 WeakPolarHBondContact CB-OG1 3.48Å
551	A	84.5	Confident	86.5	Confident	14 Å²	14	23.2 Å²	23.2	12%	0.116	14%	0.137	C	C	.	.	H	α-helix	trans	-63.1	-39.1	176.3	0	0	0	0	0	112.1	I547 T548 T555 L908	I547-A551 PolarHBondContact O-N 3.32Å; T548-A551 PolarHBondContact O-N 2.87Å; A551-T555 WeakPolarHBondContact O-CB 3.41Å; A551-T555 VanDerWaalsContact O-CG2 3.29Å; A551-T555 WeakPolarHBondContact O-CG2 3.47Å; A551-T555 PolarHBondContact O-N 3.05Å; A551-T555 VanDerWaalsContact O-N 3.07Å; A551-T555 PolarHBondContact O-OG1 3.31Å; A551-L908 HydrophobicContact CB-CD2 4.41Å
552	L	84	Confident	86.9	Confident	7 Å²	7	23.2 Å²	23.2	4%	0.037	14%	0.137	C	C	.	.	H	α-helix	trans	-68.6	-42	176.9	-70.3	175.6	0	0	0	112.7	T548 F549 A550 N554 T555 Q556 Y595 F915	T548-L552 WeakPolarHBondContact O-CG 3.29Å; T548-L552 PolarHBondContact O-N 2.86Å; F549-L552 PolarHBondContact O-N 3.36Å; A550-L552 VanDerWaalsContact C-N 3.34Å; A550-L552 PolarHBondContact O-N 3.01Å; L552-N554 VanDerWaalsContact C-N 3.34Å; L552-T555 PolarHBondContact O-N 3.44Å; L552-T555 PolarHBondContact O-OG1 3.29Å; L552-Q556 WeakPolarHBondContact O-CB 3.32Å; L552-Q556 PolarHBondContact O-N 3.08Å; L552-Y595 HydrophobicContact CB-CD2 4.37Å; L552-Y595 HydrophobicContact CB-CE2 3.78Å; L552-F915 HydrophobicContact CD1-CE2 3.67Å; L552-F915 HydrophobicContact CD1-CZ 4.16Å
553	L	89.7	Confident	86.8	Confident	1 Å²	1	23.6 Å²	23.6	1%	0.005	14%	0.14	C	C	.	.	I	π-helix	trans	-62.5	-42.7	175.1	-73.1	171.5	0	0	0	111.2	F549 A550 T555 V557 D558 Y561 T566 I590 Y595 E598 P845	F549-L553 WeakPolarHBondContact O-CB 3.33Å; F549-L553 VanDerWaalsContact O-CG 3.3Å; F549-L553 WeakPolarHBondContact O-CG 3.38Å; F549-L553 PolarHBondContact O-N 2.87Å; A550-L553 PolarHBondContact O-N 3.41Å; L553-T555 VanDerWaalsContact C-N 3.34Å; L553-T555 PolarHBondContact O-N 2.96Å; L553-V557 HydrophobicContact CD2-CB 4.28Å; L553-V557 HydrophobicContact CD2-CG2 3.79Å; L553-V557 WeakPolarHBondContact O-CB 3.03Å; L553-V557 PolarHBondContact O-N 3.21Å; L553-V557 VanDerWaalsContact O-N 3.17Å; L553-D558 PolarHBondContact O-N 3.45Å; L553-D558 VanDerWaalsContact O-N 3.08Å; L553-Y561 HydrophobicContact CB-CD2 4.14Å; L553-Y561 HydrophobicContact CB-CG 4.06Å; L553-T566 HydrophobicContact CD1-CG2 4.27Å; L553-I590 HydrophobicContact CD1-CD1 3.9Å; L553-Y595 HydrophobicContact CD2-CD2 3.89Å; L553-Y595 HydrophobicContact CD2-CE2 4.35Å; L553-Y595 HydrophobicContact CG-CD2 4.3Å; L553-E598 HydrophobicContact CD2-CB 4.07Å; L553-E598 HydrophobicContact CD2-CG 4.34Å; L553-P845 HydrophobicContact CD1-CB 3.91Å; L553-P845 HydrophobicContact CD1-CG 4.42Å
554	N	89	Confident	86.9	Confident	47 Å²	47	23.3 Å²	23.3	25%	0.251	14%	0.138	S	C	.	.	I	π-helix	trans	-62.5	-39.9	177.8	-170.3	-102.1	0	0	0	112.8	A550 L552 P559 Y561	A550-N554 WeakPolarHBondContact O-CB 3.48Å; A550-N554 PolarHBondContact O-N 3.49Å; L552-N554 VanDerWaalsContact C-N 3.34Å; N554-P559 PolarHBondContact ND2-O 3.27Å; N554-Y561 VanDerWaalsContact CB-O 3.23Å; N554-Y561 WeakPolarHBondContact CB-O 3.29Å; N554-Y561 PolarHBondContact ND2-O 3.47Å
555	T	83.9	Confident	87.4	Confident	100 Å²	100	23 Å²	23	61%	0.613	14%	0.136	S	C	*	.	I	π-helix	trans	-91	-36.2	-172.2	52.9	0	0	0	0	114	A551 L552 L553	A551-T555 WeakPolarHBondContact O-CB 3.41Å; A551-T555 VanDerWaalsContact O-CG2 3.29Å; A551-T555 WeakPolarHBondContact O-CG2 3.47Å; A551-T555 PolarHBondContact O-N 3.05Å; A551-T555 VanDerWaalsContact O-N 3.07Å; A551-T555 PolarHBondContact O-OG1 3.31Å; L552-T555 PolarHBondContact O-N 3.44Å; L552-T555 PolarHBondContact O-OG1 3.29Å; L553-T555 VanDerWaalsContact C-N 3.34Å; L553-T555 PolarHBondContact O-N 2.96Å
556	Q	83.6	Confident	87.7	Confident	74 Å²	74	22.9 Å²	22.9	35%	0.346	14%	0.135	S	C	.	.	I	π-helix	trans	-105.2	-26.8	-172.6	-58.8	-166.8	7.1	0	0	113.7	L552 Y595	L552-Q556 WeakPolarHBondContact O-CB 3.32Å; L552-Q556 PolarHBondContact O-N 3.08Å; Q556-Y595 VanDerWaalsContact CB-OH 3.3Å; Q556-Y595 WeakPolarHBondContact CB-OH 3.5Å; Q556-Y595 PolarHBondContact OE1-OH 3.16Å
557	V	87.8	Confident	87.9	Confident	4 Å²	4	22.9 Å²	22.9	2%	0.024	14%	0.135	C	C	.	.	I	π-helix	trans	-98.7	-75	-176.4	-179.1	0	0	0	0	110.1	L553 Y561 Y595 E598 V602 F612	L553-V557 HydrophobicContact CD2-CB 4.28Å; L553-V557 HydrophobicContact CD2-CG2 3.79Å; L553-V557 WeakPolarHBondContact O-CB 3.03Å; L553-V557 PolarHBondContact O-N 3.21Å; L553-V557 VanDerWaalsContact O-N 3.17Å; V557-Y561 HydrophobicContact CB-CD2 4.47Å; V557-Y561 HydrophobicContact CG1-CD2 4.21Å; V557-Y561 HydrophobicContact CG1-CE2 3.81Å; V557-Y595 HydrophobicContact CG2-CE2 4.14Å; V557-E598 HydrophobicContact CG1-CB 4.18Å; V557-E598 HydrophobicContact CG2-CB 4.44Å; V557-V602 HydrophobicContact CB-CG2 4.42Å; V557-V602 HydrophobicContact CG1-CB 4.45Å; V557-V602 HydrophobicContact CG1-CG2 3.39Å; V557-F612 HydrophobicContact CG1-CZ 4.19Å
558	D	89.6	Confident	88.2	Confident	48 Å²	48	24.2 Å²	24.2	26%	0.257	14%	0.142	S	C	.	.			trans	-155.1	135.7	-178.7	-171.2	75.8	0	0	0	111.1	L553 S560 Y561 F612	L553-D558 PolarHBondContact O-N 3.45Å; L553-D558 VanDerWaalsContact O-N 3.08Å; D558-S560 PolarHBondContact O-N 3Å; D558-S560 VanDerWaalsContact O-N 3.07Å; D558-S560 WeakPolarHBondContact OD2-CB 3.15Å; D558-S560 PolarHBondContact OD2-N 2.76Å; D558-S560 PolarHBondContact OD2-OG 2.58Å; D558-Y561 HydrophobicContact CB-CD2 4.25Å; D558-Y561 PolarHBondContact O-N 3.36Å; D558-Y561 VanDerWaalsContact O-N 3.1Å; D558-F612 HydrophobicContact CB-CD1 4.41Å; D558-F612 HydrophobicContact CB-CE1 4.33Å
559	P	88.2	Confident	88.7	Confident	97 Å²	97	24 Å²	24	63%	0.63	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-14.3	-179.3	25.6	-36	0	0	0	113.8	N554 Y561	N554-P559 PolarHBondContact ND2-O 3.27Å; P559-Y561 PolarHBondContact O-N 3.01Å
560	S	86.7	Confident	89	Confident	29 Å²	29	23.9 Å²	23.9	20%	0.203	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-22.6	173.4	69.6	0	0	0	0	113.3	D558 T562 N769	D558-S560 PolarHBondContact O-N 3Å; D558-S560 VanDerWaalsContact O-N 3.07Å; D558-S560 WeakPolarHBondContact OD2-CB 3.15Å; D558-S560 PolarHBondContact OD2-N 2.76Å; D558-S560 PolarHBondContact OD2-OG 2.58Å; S560-T562 VanDerWaalsContact C-N 3.26Å; S560-T562 PolarHBondContact O-N 3.4Å; S560-N769 PolarHBondContact O-ND2 2.7Å
561	Y	88.7	Confident	89.3	Confident	1 Å²	1	23.9 Å²	23.9	0%	0.004	14%	0.14	C	C	.	.	S	Bend	trans	-75	79	172.1	-71.3	-65	0	0	0	110.9	L553 N554 V557 D558 P559 L565 T566 E598 F612 R616 P845	L553-Y561 HydrophobicContact CB-CD2 4.14Å; L553-Y561 HydrophobicContact CB-CG 4.06Å; N554-Y561 VanDerWaalsContact CB-O 3.23Å; N554-Y561 WeakPolarHBondContact CB-O 3.29Å; N554-Y561 PolarHBondContact ND2-O 3.47Å; V557-Y561 HydrophobicContact CB-CD2 4.47Å; V557-Y561 HydrophobicContact CG1-CD2 4.21Å; V557-Y561 HydrophobicContact CG1-CE2 3.81Å; D558-Y561 HydrophobicContact CB-CD2 4.25Å; D558-Y561 PolarHBondContact O-N 3.36Å; D558-Y561 VanDerWaalsContact O-N 3.1Å; P559-Y561 PolarHBondContact O-N 3.01Å; Y561-L565 HydrophobicContact CD1-CD2 4.08Å; Y561-T566 HydrophobicContact CD1-CG2 4.34Å; Y561-E598 PolarHBondContact OH-OE1 2.93Å; Y561-E598 PolarHBondContact OH-OE2 2.9Å; Y561-F612 AromaticContact CE2-CE1 3.88Å; Y561-F612 HydrophobicContact CE2-CE1 3.88Å; Y561-F612 AromaticContact CE2-CZ 3.95Å; Y561-F612 HydrophobicContact CE2-CZ 3.95Å; Y561-R616 PolarHBondContact OH-NE 3.5Å; Y561-R616 PolarHBondContact OH-NH1 3.19Å; Y561-R616 PolarHBondContact OH-NH2 2.9Å; Y561-R616 VanDerWaalsContact OH-NH2 3.11Å; Y561-P845 HydrophobicContact CE1-CB 4.08Å
562	T	88.4	Confident	89.8	Confident	34 Å²	34	25.2 Å²	25.2	21%	0.209	15%	0.147	C	C	.	.			trans	-67.7	148.2	173.6	63.6	0	0	0	0	110.7	S560 T564 L565 T566	S560-T562 VanDerWaalsContact C-N 3.26Å; S560-T562 PolarHBondContact O-N 3.4Å; T562-T564 PolarHBondContact O-N 3.46Å; T562-T564 PolarHBondContact OG1-OG1 3.36Å; T562-L565 PolarHBondContact O-N 2.86Å; T562-L565 WeakPolarHBondContact OG1-CB 3.21Å; T562-L565 PolarHBondContact OG1-N 3.42Å; T562-T566 WeakPolarHBondContact O-CG2 3.31Å; T562-T566 PolarHBondContact O-N 3.33Å; T562-T566 VanDerWaalsContact O-N 3.09Å; T562-T566 PolarHBondContact O-OG1 2.89Å; T562-T566 VanDerWaalsContact O-OG1 3.12Å
563	V	87.3	Confident	90.4	Very high	9 Å²	9	25 Å²	25	6%	0.055	15%	0.145	C	C	.	.	H	α-helix	trans	-61.3	-31.7	177.5	-179.3	0	0	0	0	111.3	A550 T566 L567 V754 I756	A550-V563 HydrophobicContact CB-CB 4.2Å; A550-V563 HydrophobicContact CB-CG1 3.89Å; A550-V563 HydrophobicContact CB-CG2 4.07Å; V563-T566 WeakPolarHBondContact CA-OG1 3.36Å; V563-T566 PolarHBondContact O-OG1 2.87Å; V563-L567 HydrophobicContact CG1-CD1 4.14Å; V563-L567 HydrophobicContact CG1-CG 4.4Å; V563-L567 WeakPolarHBondContact O-CB 3.35Å; V563-L567 VanDerWaalsContact O-CG 3.27Å; V563-L567 WeakPolarHBondContact O-CG 3.46Å; V563-L567 PolarHBondContact O-N 3.44Å; V563-L567 VanDerWaalsContact O-N 3.08Å; V563-V754 HydrophobicContact CG1-CG1 4.44Å; V563-V754 HydrophobicContact CG2-CG1 4.33Å; V563-I756 HydrophobicContact CB-CG1 3.9Å; V563-I756 HydrophobicContact CG1-CD1 3.86Å; V563-I756 HydrophobicContact CG1-CG1 3.71Å; V563-I756 HydrophobicContact CG2-CG1 4.5Å
564	T	90	Very high	90.6	Very high	4 Å²	4	24.9 Å²	24.9	3%	0.025	15%	0.145	C	C	.	.	H	α-helix	trans	-67.6	-43.8	175.4	51.1	0	0	0	0	112.6	T562 L568 I756 P757 V762 I897	T562-T564 PolarHBondContact O-N 3.46Å; T562-T564 PolarHBondContact OG1-OG1 3.36Å; T564-L568 WeakPolarHBondContact O-CB 3.34Å; T564-L568 PolarHBondContact O-N 2.75Å; T564-I756 HydrophobicContact CG2-CG2 4.12Å; T564-P757 HydrophobicContact CG2-CG 4.36Å; T564-V762 HydrophobicContact CG2-CG1 4.4Å; T564-I897 HydrophobicContact CG2-CG2 3.94Å
565	L	91.5	Very high	91	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.4	-45.2	177.4	170.6	145.6	0	0	0	111.3	Y561 T562 L568 A569 T766 W767	Y561-L565 HydrophobicContact CD1-CD2 4.08Å; T562-L565 PolarHBondContact O-N 2.86Å; T562-L565 WeakPolarHBondContact OG1-CB 3.21Å; T562-L565 PolarHBondContact OG1-N 3.42Å; L565-L568 PolarHBondContact O-N 2.95Å; L565-A569 WeakPolarHBondContact O-CB 3.42Å; L565-A569 PolarHBondContact O-N 2.88Å; L565-T766 WeakPolarHBondContact CD1-O 3.34Å; L565-W767 WeakPolarHBondContact CD1-O 3.42Å
566	T	91.7	Very high	91.6	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.006	13%	0.128	C	C	.	.	H	α-helix	trans	-67.6	-39.9	-178.3	52.2	0	0	0	0	112.2	A550 L553 Y561 T562 V563 A569 V570 P845	A550-T566 HydrophobicContact CB-CG2 4.29Å; A550-T566 WeakPolarHBondContact CB-OG1 3.48Å; L553-T566 HydrophobicContact CD1-CG2 4.27Å; Y561-T566 HydrophobicContact CD1-CG2 4.34Å; T562-T566 WeakPolarHBondContact O-CG2 3.31Å; T562-T566 PolarHBondContact O-N 3.33Å; T562-T566 VanDerWaalsContact O-N 3.09Å; T562-T566 PolarHBondContact O-OG1 2.89Å; T562-T566 VanDerWaalsContact O-OG1 3.12Å; V563-T566 WeakPolarHBondContact CA-OG1 3.36Å; V563-T566 PolarHBondContact O-OG1 2.87Å; T566-A569 PolarHBondContact O-N 3.06Å; T566-V570 VanDerWaalsContact O-CG2 3.31Å; T566-V570 WeakPolarHBondContact O-CG2 3.41Å; T566-V570 PolarHBondContact O-N 3.21Å; T566-P845 HydrophobicContact CG2-CG 4.04Å
567	L	92.3	Very high	92.2	Very high	2 Å²	2	19 Å²	19	1%	0.01	11%	0.111	C	C	.	.	H	α-helix	trans	-64.4	-42.1	173.5	-73.1	177.4	0	0	0	112.4	L543 I547 V563 V570 G571 V893 I897	L543-L567 HydrophobicContact CD1-CD2 4.02Å; I547-L567 HydrophobicContact CG1-CD1 4.38Å; I547-L567 HydrophobicContact CG1-CD2 4.06Å; V563-L567 HydrophobicContact CG1-CD1 4.14Å; V563-L567 HydrophobicContact CG1-CG 4.4Å; V563-L567 WeakPolarHBondContact O-CB 3.35Å; V563-L567 VanDerWaalsContact O-CG 3.27Å; V563-L567 WeakPolarHBondContact O-CG 3.46Å; V563-L567 PolarHBondContact O-N 3.44Å; V563-L567 VanDerWaalsContact O-N 3.08Å; L567-V570 PolarHBondContact O-N 3.49Å; L567-G571 PolarHBondContact O-N 2.87Å; L567-V893 HydrophobicContact CD2-CG1 4.45Å; L567-I897 HydrophobicContact CB-CG1 4.19Å
568	L	93.1	Very high	92.5	Very high	30 Å²	30	18.9 Å²	18.9	16%	0.157	11%	0.11	C	C	.	.	H	α-helix	trans	-59.1	-50.6	174.6	-172.1	66.2	0	0	0	110.7	T564 L565 V570 G571 V572 W767 W844 A894 I897	T564-L568 WeakPolarHBondContact O-CB 3.34Å; T564-L568 PolarHBondContact O-N 2.75Å; L565-L568 PolarHBondContact O-N 2.95Å; L568-V570 PolarHBondContact O-N 2.83Å; L568-G571 PolarHBondContact O-N 3.09Å; L568-V572 HydrophobicContact CD1-CG2 4.35Å; L568-V572 HydrophobicContact CG-CG2 4.4Å; L568-V572 WeakPolarHBondContact O-CG2 3.39Å; L568-V572 PolarHBondContact O-N 3.02Å; L568-W767 HydrophobicContact CD2-CB 3.95Å; L568-W767 HydrophobicContact CD2-CD2 3.85Å; L568-W767 HydrophobicContact CD2-CE3 3.64Å; L568-W767 HydrophobicContact CD2-CG 4.04Å; L568-W767 HydrophobicContact CD2-CZ3 4.36Å; L568-W844 HydrophobicContact CD2-CZ2 4.38Å; L568-A894 HydrophobicContact CD1-CB 4.43Å; L568-I897 HydrophobicContact CB-CD1 3.6Å; L568-I897 HydrophobicContact CD1-CD1 3.74Å; L568-I897 HydrophobicContact CG-CD1 4.21Å
569	A	94.4	Very high	92.7	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-57.8	-48.4	-179.9	0	0	0	0	0	111.4	L565 T566 G571 V572 F573 W844 M847	L565-A569 WeakPolarHBondContact O-CB 3.42Å; L565-A569 PolarHBondContact O-N 2.88Å; T566-A569 PolarHBondContact O-N 3.06Å; A569-G571 VanDerWaalsContact C-N 3.34Å; A569-G571 PolarHBondContact O-N 3.34Å; A569-V572 PolarHBondContact O-N 3.06Å; A569-F573 HydrophobicContact CB-CD2 4.27Å; A569-F573 HydrophobicContact CB-CE2 4.34Å; A569-F573 WeakPolarHBondContact O-CB 3.4Å; A569-F573 WeakPolarHBondContact O-CD2 3Å; A569-F573 PolarHBondContact O-N 2.96Å; A569-W844 HydrophobicContact CB-CB 3.79Å; A569-W844 HydrophobicContact CB-CD2 3.69Å; A569-W844 HydrophobicContact CB-CE3 3.96Å; A569-W844 HydrophobicContact CB-CG 3.64Å; A569-M847 HydrophobicContact CB-CE 3.81Å
570	V	94.9	Very high	93	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-59.5	-45.2	178.2	172.8	0	0	0	0	111.1	T566 L567 L568 L574 I590 M847 V893	T566-V570 VanDerWaalsContact O-CG2 3.31Å; T566-V570 WeakPolarHBondContact O-CG2 3.41Å; T566-V570 PolarHBondContact O-N 3.21Å; L567-V570 PolarHBondContact O-N 3.49Å; L568-V570 PolarHBondContact O-N 2.83Å; V570-L574 WeakPolarHBondContact O-CB 3.08Å; V570-L574 PolarHBondContact O-N 3.43Å; V570-I590 HydrophobicContact CG2-CD1 4.24Å; V570-I590 HydrophobicContact CG2-CG1 4.1Å; V570-M847 HydrophobicContact CB-CE 4.28Å; V570-M847 HydrophobicContact CG2-CE 3.44Å; V570-M847 VanDerWaalsContact CG2-CE 3.44Å; V570-M847 HydrophobicContact CG2-SD 3.99Å; V570-V893 HydrophobicContact CB-CG1 4.4Å; V570-V893 HydrophobicContact CG1-CG1 4.16Å
571	G	95.1	Very high	93.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-61.7	-48.3	178.9	0	0	0	0	0	112.6	L567 L568 A569 L574 I575 G890	L567-G571 PolarHBondContact O-N 2.87Å; L568-G571 PolarHBondContact O-N 3.09Å; A569-G571 VanDerWaalsContact C-N 3.34Å; A569-G571 PolarHBondContact O-N 3.34Å; G571-L574 PolarHBondContact O-N 3.41Å; G571-I575 WeakPolarHBondContact O-CD1 3.29Å; G571-I575 VanDerWaalsContact O-CG1 3.28Å; G571-I575 WeakPolarHBondContact O-CG1 3.43Å; G571-I575 PolarHBondContact O-N 2.89Å; G571-I575 VanDerWaalsContact O-N 3.08Å; G571-G890 VanDerWaalsContact CA-O 3.3Å; G571-G890 WeakPolarHBondContact CA-O 3.43Å
572	V	95.7	Very high	93.3	Very high	42 Å²	42	16 Å²	16	26%	0.255	9%	0.089	S	C	.	.	H	α-helix	trans	-66.4	-47.9	-179.4	174.5	0	0	0	0	111.6	L568 A569 L574 I575 I576 W844	L568-V572 HydrophobicContact CD1-CG2 4.35Å; L568-V572 HydrophobicContact CG-CG2 4.4Å; L568-V572 WeakPolarHBondContact O-CG2 3.39Å; L568-V572 PolarHBondContact O-N 3.02Å; A569-V572 PolarHBondContact O-N 3.06Å; V572-L574 VanDerWaalsContact C-N 3.27Å; V572-L574 PolarHBondContact O-N 2.85Å; V572-I575 PolarHBondContact O-N 3.24Å; V572-I576 HydrophobicContact CG1-CD1 3.77Å; V572-I576 HydrophobicContact CG1-CG1 4.4Å; V572-I576 WeakPolarHBondContact O-CG1 3.41Å; V572-I576 PolarHBondContact O-N 3.24Å; V572-W844 HydrophobicContact CB-CH2 4.08Å; V572-W844 HydrophobicContact CB-CZ3 4.06Å; V572-W844 HydrophobicContact CG1-CH2 3.92Å; V572-W844 HydrophobicContact CG1-CZ3 3.84Å; V572-W844 HydrophobicContact CG2-CH2 4.23Å
573	F	96.2	Very high	93.4	Very high	1 Å²	1	14.4 Å²	14.4	0%	0.004	8%	0.079	C	C	.	.	H	α-helix	trans	-60.4	-38.2	177.2	-79.7	-58.4	0	0	0	112	A569 I576 F577 F835 I838 W844 M847	A569-F573 HydrophobicContact CB-CD2 4.27Å; A569-F573 HydrophobicContact CB-CE2 4.34Å; A569-F573 WeakPolarHBondContact O-CB 3.4Å; A569-F573 WeakPolarHBondContact O-CD2 3Å; A569-F573 PolarHBondContact O-N 2.96Å; F573-I576 PolarHBondContact O-N 3.17Å; F573-F577 VanDerWaalsContact O-CB 3.31Å; F573-F577 WeakPolarHBondContact O-CB 3.47Å; F573-F577 PolarHBondContact O-N 3.01Å; F573-F835 HydrophobicContact CB-CE2 4.08Å; F573-F835 HydrophobicContact CB-CZ 4.34Å; F573-F835 HydrophobicContact CD1-CB 4.4Å; F573-F835 AromaticContact CD1-CD1 3.75Å; F573-F835 HydrophobicContact CD1-CD1 3.75Å; F573-F835 AromaticContact CD1-CD2 3.7Å; F573-F835 HydrophobicContact CD1-CD2 3.7Å; F573-F835 AromaticContact CD1-CE1 3.83Å; F573-F835 HydrophobicContact CD1-CE1 3.83Å; F573-F835 AromaticContact CD1-CE2 3.76Å; F573-F835 HydrophobicContact CD1-CE2 3.76Å; F573-F835 AromaticContact CD1-CG 3.68Å; F573-F835 HydrophobicContact CD1-CG 3.68Å; F573-F835 AromaticContact CD1-CZ 3.82Å; F573-F835 HydrophobicContact CD1-CZ 3.82Å; F573-F835 HydrophobicContact CE1-CB 3.99Å; F573-F835 AromaticContact CE1-CD1 3.86Å; F573-F835 HydrophobicContact CE1-CD1 3.86Å; F573-F835 HydrophobicContact CE1-CD2 4.15Å; F573-F835 HydrophobicContact CE1-CE1 4.36Å; F573-F835 AromaticContact CE1-CG 3.74Å; F573-F835 HydrophobicContact CE1-CG 3.74Å; F573-F835 HydrophobicContact CG-CD2 4.36Å; F573-F835 HydrophobicContact CG-CE2 4.27Å; F573-F835 WeakPolarHBondContact O-CZ 3.12Å; F573-I838 HydrophobicContact CE1-CB 4.04Å; F573-I838 HydrophobicContact CE1-CD1 4.34Å; F573-I838 HydrophobicContact CE1-CG2 3.84Å; F573-I838 HydrophobicContact CZ-CB 4.16Å; F573-I838 HydrophobicContact CZ-CG2 3.77Å; F573-W844 HydrophobicContact CD2-CE3 4.15Å; F573-W844 HydrophobicContact CE2-CB 4.03Å; F573-W844 HydrophobicContact CE2-CD2 4.42Å; F573-W844 AromaticContact CE2-CE3 3.58Å; F573-W844 HydrophobicContact CE2-CE3 3.58Å; F573-W844 HydrophobicContact CE2-CZ3 4.42Å; F573-W844 AromaticContact CZ-CE3 3.83Å; F573-W844 HydrophobicContact CZ-CE3 3.83Å; F573-M847 HydrophobicContact CB-CG 4.22Å; F573-M847 HydrophobicContact CD2-CB 4.31Å; F573-M847 HydrophobicContact CD2-CE 3.88Å; F573-M847 HydrophobicContact CD2-CG 3.32Å; F573-M847 HydrophobicContact CD2-SD 4.47Å; F573-M847 HydrophobicContact CE2-CE 4.32Å; F573-M847 HydrophobicContact CE2-CG 3.74Å; F573-M847 HydrophobicContact CG-CB 4.5Å; F573-M847 HydrophobicContact CG-CG 3.9Å
574	L	95.4	Very high	93.6	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-66.1	-39.6	177.1	-174.9	61.4	0	0	0	112.2	V570 G571 V572 T578 I587 V889	V570-L574 WeakPolarHBondContact O-CB 3.08Å; V570-L574 PolarHBondContact O-N 3.43Å; G571-L574 PolarHBondContact O-N 3.41Å; V572-L574 VanDerWaalsContact C-N 3.27Å; V572-L574 PolarHBondContact O-N 2.85Å; L574-T578 WeakPolarHBondContact O-CB 3.36Å; L574-T578 PolarHBondContact O-N 3.45Å; L574-T578 PolarHBondContact O-OG1 3.28Å; L574-I587 HydrophobicContact CD1-CD1 4.27Å; L574-I587 HydrophobicContact CD1-CG2 4.47Å; L574-V889 HydrophobicContact CD2-CB 4.32Å; L574-V889 HydrophobicContact CD2-CG1 3.74Å
575	I	96.6	Very high	93.7	Very high	48 Å²	48	13.9 Å²	13.9	25%	0.246	8%	0.076	C	C	.	.	H	α-helix	trans	-61.9	-53	174.8	-66.9	161.2	0	0	0	110	G571 V572 F577 T578 V579 I891	G571-I575 WeakPolarHBondContact O-CD1 3.29Å; G571-I575 VanDerWaalsContact O-CG1 3.28Å; G571-I575 WeakPolarHBondContact O-CG1 3.43Å; G571-I575 PolarHBondContact O-N 2.89Å; G571-I575 VanDerWaalsContact O-N 3.08Å; V572-I575 PolarHBondContact O-N 3.24Å; I575-F577 VanDerWaalsContact C-N 3.3Å; I575-F577 PolarHBondContact O-N 3.28Å; I575-T578 PolarHBondContact O-N 2.99Å; I575-V579 WeakPolarHBondContact O-CG2 3.22Å; I575-V579 PolarHBondContact O-N 3.23Å; I575-I891 HydrophobicContact CD1-CG1 3.91Å; I575-I891 HydrophobicContact CG1-CG1 4.4Å
576	I	96.3	Very high	93.7	Very high	49 Å²	49	13.9 Å²	13.9	25%	0.251	8%	0.076	S	C	.	.	H	α-helix	trans	-58.1	-46.2	-178.6	-65.1	170.5	0	0	0	110.2	V572 F573 V579 L580 F835	V572-I576 HydrophobicContact CG1-CD1 3.77Å; V572-I576 HydrophobicContact CG1-CG1 4.4Å; V572-I576 WeakPolarHBondContact O-CG1 3.41Å; V572-I576 PolarHBondContact O-N 3.24Å; F573-I576 PolarHBondContact O-N 3.17Å; I576-V579 PolarHBondContact O-N 2.86Å; I576-L580 HydrophobicContact CG2-CD1 4.03Å; I576-L580 WeakPolarHBondContact O-CB 3.19Å; I576-L580 PolarHBondContact O-N 3.44Å; I576-F835 HydrophobicContact CB-CE1 4.37Å; I576-F835 HydrophobicContact CB-CZ 4.45Å; I576-F835 HydrophobicContact CG2-CE1 3.84Å; I576-F835 HydrophobicContact CG2-CZ 4.3Å
577	F	96	Very high	93.8	Very high	1 Å²	1	13.9 Å²	13.9	0%	0.004	8%	0.076	C	C	.	.	H	α-helix	trans	-64.1	-46.6	178.6	-175.2	-106.1	0	0	0	112.5	F573 I575 V579 L580 S581 A586 I588 D827 L830 L831 F835	F573-F577 VanDerWaalsContact O-CB 3.31Å; F573-F577 WeakPolarHBondContact O-CB 3.47Å; F573-F577 PolarHBondContact O-N 3.01Å; I575-F577 VanDerWaalsContact C-N 3.3Å; I575-F577 PolarHBondContact O-N 3.28Å; F577-V579 PolarHBondContact O-N 3.22Å; F577-L580 PolarHBondContact O-N 2.93Å; F577-S581 WeakPolarHBondContact O-CA 3.3Å; F577-S581 WeakPolarHBondContact O-CB 3.22Å; F577-S581 PolarHBondContact O-N 2.99Å; F577-S581 PolarHBondContact O-OG 3.38Å; F577-A586 HydrophobicContact CE1-CB 3.78Å; F577-A586 WeakPolarHBondContact CE1-O 3.45Å; F577-A586 HydrophobicContact CZ-CB 4.14Å; F577-I588 HydrophobicContact CB-CD1 3.57Å; F577-I588 HydrophobicContact CB-CG1 4.43Å; F577-I588 HydrophobicContact CD1-CD1 3.48Å; F577-I588 VanDerWaalsContact CD1-CD1 3.48Å; F577-I588 HydrophobicContact CD1-CG1 3.78Å; F577-I588 HydrophobicContact CD2-CD1 3.12Å; F577-I588 HydrophobicContact CD2-CG1 4.25Å; F577-I588 HydrophobicContact CE1-CD1 3.86Å; F577-I588 HydrophobicContact CE1-CG1 4Å; F577-I588 HydrophobicContact CE2-CD1 3.52Å; F577-I588 HydrophobicContact CE2-CG1 4.42Å; F577-I588 HydrophobicContact CG-CD1 3.08Å; F577-I588 HydrophobicContact CG-CG1 3.91Å; F577-I588 HydrophobicContact CZ-CD1 3.87Å; F577-I588 HydrophobicContact CZ-CG1 4.31Å; F577-D827 HydrophobicContact CE2-CB 4.23Å; F577-D827 HydrophobicContact CZ-CB 4.45Å; F577-L830 HydrophobicContact CD2-CB 4.43Å; F577-L830 HydrophobicContact CD2-CD1 4.09Å; F577-L831 HydrophobicContact CE2-CD1 4.2Å; F577-L831 HydrophobicContact CE2-CG 4.25Å; F577-F835 HydrophobicContact CB-CE2 4.27Å; F577-F835 HydrophobicContact CB-CZ 3.91Å
578	T	94	Very high	93.9	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-63	-35.6	-177.1	-53	0	0	0	0	111.5	L574 I575 P584 R883 V887	L574-T578 WeakPolarHBondContact O-CB 3.36Å; L574-T578 PolarHBondContact O-N 3.45Å; L574-T578 PolarHBondContact O-OG1 3.28Å; I575-T578 PolarHBondContact O-N 2.99Å; T578-P584 HydrophobicContact CG2-CB 4.27Å; T578-R883 HydrophobicContact CG2-CB 4.28Å; T578-R883 WeakPolarHBondContact CG2-O 3Å; T578-R883 PolarHBondContact O-NH1 3.29Å; T578-V887 HydrophobicContact CG2-CG2 4.11Å
579	V	94.4	Very high	93.9	Very high	50 Å²	50	12.4 Å²	12.4	30%	0.303	7%	0.068	S	C	.	.	H	α-helix	trans	-72.1	-44.1	178	175.1	0	0	0	0	111.6	I575 I576 F577 R883 V887	I575-V579 WeakPolarHBondContact O-CG2 3.22Å; I575-V579 PolarHBondContact O-N 3.23Å; I576-V579 PolarHBondContact O-N 2.86Å; F577-V579 PolarHBondContact O-N 3.22Å; V579-R883 PolarHBondContact O-NH1 3.45Å; V579-R883 VanDerWaalsContact O-NH1 3.08Å; V579-V887 HydrophobicContact CG2-CG2 3.88Å
580	L	93.8	Very high	93.8	Very high	66 Å²	66	12.6 Å²	12.6	35%	0.346	7%	0.069	S	C	.	.	H	α-helix	trans	-101.9	-14.3	-168.7	-60.8	178.4	0	0	0	115.3	W511 I576 F577 L830	W511-L580 VanDerWaalsContact CE2-O 3.27Å; W511-L580 HydrophobicContact CZ2-CB 4.46Å; W511-L580 HydrophobicContact CZ2-CD2 4.28Å; W511-L580 VanDerWaalsContact CZ2-O 3.23Å; W511-L580 WeakPolarHBondContact CZ2-O 2.97Å; W511-L580 PolarHBondContact NE1-O 2.98Å; I576-L580 HydrophobicContact CG2-CD1 4.03Å; I576-L580 WeakPolarHBondContact O-CB 3.19Å; I576-L580 PolarHBondContact O-N 3.44Å; F577-L580 PolarHBondContact O-N 2.93Å; L580-L830 HydrophobicContact CB-CD1 3.73Å; L580-L830 HydrophobicContact CB-CD2 3.89Å; L580-L830 HydrophobicContact CB-CG 4.43Å; L580-L830 HydrophobicContact CD1-CD2 4.02Å
581	S	92.5	Very high	93.6	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.071	C	C	.	.			trans	-64.3	155.2	-176.1	53.2	0	0	0	0	113.7	W511 F577 P584 D827 R883	W511-S581 PolarHBondContact NE1-O 3.08Å; F577-S581 WeakPolarHBondContact O-CA 3.3Å; F577-S581 WeakPolarHBondContact O-CB 3.22Å; F577-S581 PolarHBondContact O-N 2.99Å; F577-S581 PolarHBondContact O-OG 3.38Å; S581-P584 WeakPolarHBondContact OG-CA 3.46Å; S581-D827 VanDerWaalsContact CB-OD1 3.26Å; S581-D827 WeakPolarHBondContact CB-OD1 3.49Å; S581-R883 PolarHBondContact O-NH1 2.92Å; S581-R883 PolarHBondContact O-NH2 3.04Å
582	G	89.1	Confident	93.2	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.072	C	C	.	.	S	Bend	trans	-69.4	-37.3	166.7	0	0	0	0	0	111.9	R514 D827	R514-G582 PolarHBondContact NH1-O 2.94Å; G582-D827 WeakPolarHBondContact CA-OD1 3.37Å; G582-D827 PolarHBondContact N-OD1 3.45Å
583	Q	90.9	Very high	92.8	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.06	C	C	.	.			trans	-122.9	94.3	175.5	-174.9	65.1	-23.6	0	0	112.9	L585 A586 A813 M814 N822 D827	Q583-L585 PolarHBondContact O-N 3.23Å; Q583-A586 WeakPolarHBondContact O-CB 3.32Å; Q583-A586 PolarHBondContact O-N 3.11Å; Q583-A813 HydrophobicContact CG-CB 3.6Å; Q583-A813 PolarHBondContact NE2-O 3.43Å; Q583-M814 PolarHBondContact NE2-SD 3.09Å; Q583-N822 WeakPolarHBondContact CB-OD1 3.4Å; Q583-D827 PolarHBondContact N-OD1 2.64Å
584	P	92.3	Very high	92.6	Very high	2 Å²	2	11 Å²	11	1%	0.013	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-7.5	-174.1	30.8	-37.3	0	0	0	115.2	T578 S581 R883	T578-P584 HydrophobicContact CG2-CB 4.27Å; S581-P584 WeakPolarHBondContact OG-CA 3.46Å; P584-R883 HydrophobicContact CB-CB 4.4Å; P584-R883 HydrophobicContact CB-CG 3.48Å; P584-R883 VanDerWaalsContact CB-CG 3.48Å; P584-R883 HydrophobicContact CG-CG 3.62Å
585	L	91.6	Very high	92.3	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-17.4	173	-64.5	-178.3	0	0	0	112.6	Q583 A813 N857 L861 T879 E881	Q583-L585 PolarHBondContact O-N 3.23Å; L585-A813 HydrophobicContact CB-CB 4.28Å; L585-N857 PolarHBondContact O-ND2 3.27Å; L585-L861 HydrophobicContact CD2-CD1 3.51Å; L585-T879 HydrophobicContact CD1-CG2 3.91Å; L585-E881 HydrophobicContact CD1-CG 4.16Å
586	A	92.3	Very high	91.9	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.051	C	C	.	.			trans	-72.6	136.3	175.3	0	0	0	0	0	111.2	F577 Q583 N809 T854	F577-A586 HydrophobicContact CE1-CB 3.78Å; F577-A586 WeakPolarHBondContact CE1-O 3.45Å; F577-A586 HydrophobicContact CZ-CB 4.14Å; Q583-A586 WeakPolarHBondContact O-CB 3.32Å; Q583-A586 PolarHBondContact O-N 3.11Å; A586-N809 VanDerWaalsContact CB-ND2 3.33Å; A586-N809 WeakPolarHBondContact CB-ND2 3.37Å; A586-T854 HydrophobicContact CB-CG2 4.43Å
587	I	93.2	Very high	91.6	Very high	1 Å²	1	7 Å²	7	1%	0.005	4%	0.039	C	C	.	.			trans	-104.2	135.6	177.4	-64.2	-71	0	0	0	109.4	I538 N542 L574 N809 T850 R853 T854 N857	I538-I587 HydrophobicContact CG2-CD1 3.96Å; N542-I587 WeakPolarHBondContact OD1-CG2 3.4Å; L574-I587 HydrophobicContact CD1-CD1 4.27Å; L574-I587 HydrophobicContact CD1-CG2 4.47Å; I587-N809 PolarHBondContact O-ND2 3.36Å; I587-T850 PolarHBondContact O-N 3.11Å; I587-T850 PolarHBondContact O-OG1 3.2Å; I587-T850 VanDerWaalsContact O-OG1 3.13Å; I587-R853 HydrophobicContact CB-CB 4.18Å; I587-R853 HydrophobicContact CG2-CB 3.81Å; I587-T854 PolarHBondContact N-OG1 3.27Å; I587-N857 HydrophobicContact CD1-CB 4.29Å; I587-N857 HydrophobicContact CG1-CB 3.74Å
588	I	94.1	Very high	91.4	Very high	1 Å²	1	7 Å²	7	1%	0.005	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	152.3	178.5	-69.2	-174.5	0	0	0	111	F577 L831 F835 M847 S848 R853	F577-I588 HydrophobicContact CB-CD1 3.57Å; F577-I588 HydrophobicContact CB-CG1 4.43Å; F577-I588 HydrophobicContact CD1-CD1 3.48Å; F577-I588 VanDerWaalsContact CD1-CD1 3.48Å; F577-I588 HydrophobicContact CD1-CG1 3.78Å; F577-I588 HydrophobicContact CD2-CD1 3.12Å; F577-I588 HydrophobicContact CD2-CG1 4.25Å; F577-I588 HydrophobicContact CE1-CD1 3.86Å; F577-I588 HydrophobicContact CE1-CG1 4Å; F577-I588 HydrophobicContact CE2-CD1 3.52Å; F577-I588 HydrophobicContact CE2-CG1 4.42Å; F577-I588 HydrophobicContact CG-CD1 3.08Å; F577-I588 HydrophobicContact CG-CG1 3.91Å; F577-I588 HydrophobicContact CZ-CD1 3.87Å; F577-I588 HydrophobicContact CZ-CG1 4.31Å; I588-L831 HydrophobicContact CD1-CD1 4.38Å; I588-L831 HydrophobicContact CD1-CD2 3.39Å; I588-L831 HydrophobicContact CD1-CG 4.12Å; I588-L831 HydrophobicContact CG1-CD2 4.32Å; I588-F835 HydrophobicContact CD1-CE2 3.76Å; I588-F835 HydrophobicContact CG2-CE2 4.32Å; I588-M847 HydrophobicContact CG2-CB 3.8Å; I588-S848 WeakPolarHBondContact CA-O 3.33Å; I588-R853 PolarHBondContact O-NH1 2.89Å
589	G	92.7	Very high	91.1	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.2	-150.5	154.4	0	0	0	0	0	109.2	S591 S848 R853	G589-S591 PolarHBondContact O-N 3.49Å; G589-S848 PolarHBondContact N-O 3.24Å; G589-S848 VanDerWaalsContact N-O 3.11Å; G589-S848 PolarHBondContact O-N 3.29Å; G589-S848 VanDerWaalsContact O-N 3.1Å; G589-S848 VanDerWaalsContact O-O 3.06Å; G589-R853 VanDerWaalsContact N-NH2 3.11Å
590	I	92.6	Very high	90.7	Very high	3 Å²	3	6 Å²	6	2%	0.015	3%	0.034	C	C	.	.			trans	-68.9	128.4	177.8	-52.8	169	0	0	0	108.9	F549 L553 V570 P845 M847 R853	F549-I590 HydrophobicContact CB-CB 4.02Å; F549-I590 HydrophobicContact CB-CD1 4.06Å; F549-I590 HydrophobicContact CB-CG2 3.76Å; F549-I590 HydrophobicContact CD1-CG2 4.07Å; F549-I590 HydrophobicContact CD2-CB 4.19Å; F549-I590 HydrophobicContact CD2-CG2 4.13Å; F549-I590 HydrophobicContact CG-CB 4.17Å; F549-I590 HydrophobicContact CG-CG2 3.74Å; L553-I590 HydrophobicContact CD1-CD1 3.9Å; V570-I590 HydrophobicContact CG2-CD1 4.24Å; V570-I590 HydrophobicContact CG2-CG1 4.1Å; I590-P845 HydrophobicContact CD1-CB 4.39Å; I590-P845 HydrophobicContact CD1-CG 4.03Å; I590-P845 HydrophobicContact CG1-CG 4.34Å; I590-M847 HydrophobicContact CB-SD 4.45Å; I590-M847 HydrophobicContact CD1-CE 4.47Å; I590-M847 HydrophobicContact CG1-CE 3.9Å; I590-M847 HydrophobicContact CG1-SD 3.56Å; I590-M847 VanDerWaalsContact CG1-SD 3.56Å; I590-M847 PolarHBondContact N-SD 2.97Å; I590-M847 VanDerWaalsContact N-SD 3.43Å; I590-R853 PolarHBondContact O-NH2 3.39Å
591	S	90.2	Very high	90.6	Very high	6 Å²	6	2.8 Å²	2.8	4%	0.042	2%	0.018	C	C	.	.			trans	-110.8	162.2	174.7	76.6	0	0	0	0	110.2	G589 M594 Y595 E805	G589-S591 PolarHBondContact O-N 3.49Å; S591-M594 PolarHBondContact O-N 2.85Å; S591-M594 WeakPolarHBondContact OG-CG 3.44Å; S591-M594 PolarHBondContact OG-N 3.38Å; S591-Y595 PolarHBondContact O-N 3.47Å; S591-Y595 VanDerWaalsContact O-N 3.1Å; S591-E805 PolarHBondContact OG-OE1 2.91Å; S591-E805 VanDerWaalsContact OG-OE1 3.11Å; S591-E805 PolarHBondContact OG-OE2 3.27Å
592	A	86.9	Confident	90.4	Very high	3 Å²	3	3.3 Å²	3.3	3%	0.025	2%	0.021	C	C	.	.	H	α-helix	trans	-58.6	-45	176.5	0	0	0	0	0	112.5	F549 M594 Y595 I596 F657	F549-A592 HydrophobicContact CZ-CB 4.39Å; A592-M594 PolarHBondContact O-N 3.37Å; A592-Y595 WeakPolarHBondContact O-CB 3.46Å; A592-Y595 PolarHBondContact O-N 3.29Å; A592-I596 WeakPolarHBondContact O-CG1 3.42Å; A592-I596 PolarHBondContact O-N 2.95Å; A592-F657 HydrophobicContact CB-CB 4.5Å; A592-F657 HydrophobicContact CB-CD1 3.25Å; A592-F657 HydrophobicContact CB-CD2 3.94Å; A592-F657 HydrophobicContact CB-CE1 3.27Å; A592-F657 HydrophobicContact CB-CE2 3.99Å; A592-F657 HydrophobicContact CB-CG 3.63Å; A592-F657 HydrophobicContact CB-CZ 3.67Å
593	P	87.9	Confident	90.3	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-51.5	-46.6	167.4	-43.4	50	0	0	0	116.3	Y595 I596 V597 I801 E805 F989	P593-Y595 VanDerWaalsContact C-N 3.27Å; P593-Y595 PolarHBondContact O-N 2.99Å; P593-I596 PolarHBondContact O-N 2.72Å; P593-V597 WeakPolarHBondContact O-CG2 3.35Å; P593-V597 PolarHBondContact O-N 2.83Å; P593-I801 HydrophobicContact CB-CG2 3.71Å; P593-E805 VanDerWaalsContact CB-OE1 3.27Å; P593-E805 WeakPolarHBondContact CB-OE1 3.37Å; P593-E805 VanDerWaalsContact CD-OE1 3.32Å; P593-E805 WeakPolarHBondContact CD-OE1 3.46Å; P593-E805 WeakPolarHBondContact CG-OE1 3.49Å; P593-F989 HydrophobicContact CB-CE1 4.21Å; P593-F989 HydrophobicContact CB-CE2 4.23Å; P593-F989 HydrophobicContact CB-CZ 3.47Å; P593-F989 VanDerWaalsContact CB-CZ 3.47Å; P593-F989 HydrophobicContact CG-CE1 4.17Å; P593-F989 HydrophobicContact CG-CE2 3.68Å; P593-F989 HydrophobicContact CG-CZ 3.34Å
594	M	91.4	Very high	90.2	Very high	2 Å²	2	5.8 Å²	5.8	1%	0.01	4%	0.037	C	C	.	.	H	α-helix	trans	-62.6	-38.9	179	-64.6	-57.7	97.3	0	0	111.1	S591 A592 I596 V597 E598 L798 I801 I802 F846	S591-M594 PolarHBondContact O-N 2.85Å; S591-M594 WeakPolarHBondContact OG-CG 3.44Å; S591-M594 PolarHBondContact OG-N 3.38Å; A592-M594 PolarHBondContact O-N 3.37Å; M594-I596 PolarHBondContact O-N 3.44Å; M594-V597 PolarHBondContact O-N 2.75Å; M594-E598 VanDerWaalsContact O-CG 3.3Å; M594-E598 WeakPolarHBondContact O-CG 3.33Å; M594-E598 PolarHBondContact O-N 3.19Å; M594-L798 HydrophobicContact CE-CD1 3.76Å; M594-L798 HydrophobicContact SD-CD1 3.85Å; M594-I801 HydrophobicContact CE-CB 4.16Å; M594-I801 HydrophobicContact CE-CG2 3.24Å; M594-I802 HydrophobicContact CE-CG1 4.02Å; M594-I802 HydrophobicContact SD-CG1 4.23Å; M594-F846 HydrophobicContact CB-CB 4.36Å; M594-F846 WeakPolarHBondContact CB-O 3.32Å; M594-F846 HydrophobicContact CG-CB 4.24Å; M594-F846 WeakPolarHBondContact CG-O 3.27Å; M594-F846 HydrophobicContact SD-CB 3.59Å; M594-F846 VanDerWaalsContact SD-CB 3.59Å
595	Y	90.1	Very high	90	Very high	4 Å²	4	6.3 Å²	6.3	2%	0.016	4%	0.041	C	C	.	.	H	α-helix	trans	-60.9	-42.4	173.9	173.1	-91.1	0	0	0	113.1	F549 L552 L553 Q556 V557 S591 A592 P593 V597 E598 S599 F657	F549-Y595 HydrophobicContact CD1-CD2 4.45Å; F549-Y595 HydrophobicContact CD1-CG 4.47Å; F549-Y595 HydrophobicContact CE1-CG 4.49Å; L552-Y595 HydrophobicContact CB-CD2 4.37Å; L552-Y595 HydrophobicContact CB-CE2 3.78Å; L553-Y595 HydrophobicContact CD2-CD2 3.89Å; L553-Y595 HydrophobicContact CD2-CE2 4.35Å; L553-Y595 HydrophobicContact CG-CD2 4.3Å; Q556-Y595 VanDerWaalsContact CB-OH 3.3Å; Q556-Y595 WeakPolarHBondContact CB-OH 3.5Å; Q556-Y595 PolarHBondContact OE1-OH 3.16Å; V557-Y595 HydrophobicContact CG2-CE2 4.14Å; S591-Y595 PolarHBondContact O-N 3.47Å; S591-Y595 VanDerWaalsContact O-N 3.1Å; A592-Y595 WeakPolarHBondContact O-CB 3.46Å; A592-Y595 PolarHBondContact O-N 3.29Å; P593-Y595 VanDerWaalsContact C-N 3.27Å; P593-Y595 PolarHBondContact O-N 2.99Å; Y595-V597 VanDerWaalsContact C-N 3.34Å; Y595-E598 PolarHBondContact O-N 3.32Å; Y595-S599 WeakPolarHBondContact O-CB 3.29Å; Y595-S599 PolarHBondContact O-N 3.28Å; Y595-S599 PolarHBondContact O-OG 3.2Å; Y595-F657 HydrophobicContact CD1-CZ 4.14Å
596	I	88.2	Confident	89.8	Confident	7 Å²	7	15 Å²	15	4%	0.036	7%	0.073	C	C	.	.	H	α-helix	trans	-64	-40.5	177.6	-65.8	166.8	0	0	0	110.8	A592 P593 M594 S599 S600 F657 G986 F989	A592-I596 WeakPolarHBondContact O-CG1 3.42Å; A592-I596 PolarHBondContact O-N 2.95Å; P593-I596 PolarHBondContact O-N 2.72Å; M594-I596 PolarHBondContact O-N 3.44Å; I596-S599 PolarHBondContact O-N 3.37Å; I596-S600 WeakPolarHBondContact O-CB 3.44Å; I596-S600 PolarHBondContact O-N 3.03Å; I596-S600 PolarHBondContact O-OG 2.89Å; I596-F657 HydrophobicContact CD1-CD2 4.24Å; I596-F657 HydrophobicContact CD1-CE2 3.81Å; I596-F657 HydrophobicContact CG1-CE2 3.98Å; I596-G986 WeakPolarHBondContact CG2-O 3.48Å; I596-F989 HydrophobicContact CD1-CD1 4.32Å; I596-F989 HydrophobicContact CD1-CE1 4.13Å
597	V	90.2	Very high	89.5	Confident	1 Å²	1	19.5 Å²	19.5	1%	0.006	11%	0.105	C	C	.	.	H	α-helix	trans	-63.5	-47.8	177.3	174.4	0	0	0	0	111	P593 M594 Y595 S599 S600 L601 I794 L798 I801 L987	P593-V597 WeakPolarHBondContact O-CG2 3.35Å; P593-V597 PolarHBondContact O-N 2.83Å; M594-V597 PolarHBondContact O-N 2.75Å; Y595-V597 VanDerWaalsContact C-N 3.34Å; V597-S599 VanDerWaalsContact C-N 3.3Å; V597-S599 PolarHBondContact O-N 2.97Å; V597-S600 WeakPolarHBondContact O-CB 3.29Å; V597-S600 PolarHBondContact O-N 2.89Å; V597-S600 VanDerWaalsContact O-N 3.14Å; V597-L601 HydrophobicContact CG1-CD1 4.1Å; V597-L601 WeakPolarHBondContact O-CG 3.41Å; V597-L601 PolarHBondContact O-N 2.78Å; V597-I794 HydrophobicContact CG1-CG2 4.38Å; V597-L798 HydrophobicContact CG1-CD1 4.19Å; V597-L798 HydrophobicContact CG2-CD1 4.2Å; V597-I801 HydrophobicContact CG2-CD1 3.49Å; V597-I801 VanDerWaalsContact CG2-CD1 3.49Å; V597-L987 HydrophobicContact CB-CD2 4.35Å; V597-L987 HydrophobicContact CG2-CD2 3.73Å
598	E	91.2	Very high	89.1	Confident	2 Å²	2	21 Å²	21	1%	0.009	11%	0.114	C	C	.	.	H	α-helix	trans	-60.7	-40.8	177.9	-66.2	-75.6	-175.7	0	0	111.4	L553 V557 Y561 M594 Y595 S600 L601 V602 F612 R616 F846	L553-E598 HydrophobicContact CD2-CB 4.07Å; L553-E598 HydrophobicContact CD2-CG 4.34Å; V557-E598 HydrophobicContact CG1-CB 4.18Å; V557-E598 HydrophobicContact CG2-CB 4.44Å; Y561-E598 PolarHBondContact OH-OE1 2.93Å; Y561-E598 PolarHBondContact OH-OE2 2.9Å; M594-E598 VanDerWaalsContact O-CG 3.3Å; M594-E598 WeakPolarHBondContact O-CG 3.33Å; M594-E598 PolarHBondContact O-N 3.19Å; Y595-E598 PolarHBondContact O-N 3.32Å; E598-S600 VanDerWaalsContact C-N 3.35Å; E598-S600 PolarHBondContact O-N 3.29Å; E598-L601 PolarHBondContact O-N 3.19Å; E598-V602 PolarHBondContact O-N 2.6Å; E598-V602 VanDerWaalsContact O-N 3.16Å; E598-F612 WeakPolarHBondContact OE2-CZ 3.44Å; E598-R616 IonicContact OE1-CZ 2.74Å; E598-R616 VanDerWaalsContact OE1-CZ 3.32Å; E598-R616 IonicContact OE1-NE 3.79Å; E598-R616 PolarHBondContact OE1-NE 3.28Å; E598-R616 IonicContact OE1-NH2 3.15Å; E598-R616 PolarHBondContact OE1-NH2 3.39Å; E598-R616 IonicContact OE2-CZ 3.37Å; E598-R616 IonicContact OE2-NE 2.85Å; E598-R616 PolarHBondContact OE2-NE 2.84Å; E598-R616 VanDerWaalsContact OE2-NE 3.15Å; E598-R616 IonicContact OE2-NH2 3.94Å; E598-F846 HydrophobicContact CG-CD2 4.25Å; E598-F846 WeakPolarHBondContact OE1-CD2 3.39Å; E598-F846 WeakPolarHBondContact OE1-CE2 3.44Å; E598-F846 PolarHBondContact OE1-N 3.34Å
599	S	87.2	Confident	88.7	Confident	25 Å²	25	23.8 Å²	23.8	18%	0.175	14%	0.144	C	C	.	.	H	α-helix	trans	-64.5	-38.9	175	-56.3	0	0	0	0	112.2	Y595 I596 V597 S603	Y595-S599 WeakPolarHBondContact O-CB 3.29Å; Y595-S599 PolarHBondContact O-N 3.28Å; Y595-S599 PolarHBondContact O-OG 3.2Å; I596-S599 PolarHBondContact O-N 3.37Å; V597-S599 VanDerWaalsContact C-N 3.3Å; V597-S599 PolarHBondContact O-N 2.97Å; S599-S603 PolarHBondContact O-N 3.49Å; S599-S603 VanDerWaalsContact O-N 3.09Å
600	S	87.5	Confident	88.5	Confident	2 Å²	2	24 Å²	24	1%	0.014	15%	0.145	C	C	.	.	H	α-helix	trans	-67.2	-40.9	176.7	-59.5	0	0	0	0	111.6	I596 V597 E598 V602 S603 V604 N983	I596-S600 WeakPolarHBondContact O-CB 3.44Å; I596-S600 PolarHBondContact O-N 3.03Å; I596-S600 PolarHBondContact O-OG 2.89Å; V597-S600 WeakPolarHBondContact O-CB 3.29Å; V597-S600 PolarHBondContact O-N 2.89Å; V597-S600 VanDerWaalsContact O-N 3.14Å; E598-S600 VanDerWaalsContact C-N 3.35Å; E598-S600 PolarHBondContact O-N 3.29Å; S600-V602 PolarHBondContact O-N 3.09Å; S600-S603 WeakPolarHBondContact O-CB 3.48Å; S600-S603 PolarHBondContact O-N 3.04Å; S600-V604 WeakPolarHBondContact O-CG2 3.49Å; S600-V604 PolarHBondContact O-N 2.88Å; S600-N983 PolarHBondContact OG-O 3.36Å
601	L	90.3	Very high	88.3	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60.4	-44.3	176.6	-80.4	165.6	0	0	0	111.9	V597 E598 S603 V604 S605 F612 L615 R616 S619 I794 F846	V597-L601 HydrophobicContact CG1-CD1 4.1Å; V597-L601 WeakPolarHBondContact O-CG 3.41Å; V597-L601 PolarHBondContact O-N 2.78Å; E598-L601 PolarHBondContact O-N 3.19Å; L601-S603 VanDerWaalsContact C-N 3.34Å; L601-S603 PolarHBondContact O-N 2.9Å; L601-V604 PolarHBondContact O-N 3.22Å; L601-S605 VanDerWaalsContact O-CB 3.32Å; L601-S605 WeakPolarHBondContact O-CB 3.37Å; L601-S605 PolarHBondContact O-N 3.22Å; L601-F612 HydrophobicContact CB-CD2 4.27Å; L601-F612 HydrophobicContact CB-CE2 3.78Å; L601-L615 HydrophobicContact CD2-CD2 4.01Å; L601-L615 HydrophobicContact CD2-CG 3.98Å; L601-L615 WeakPolarHBondContact O-CD2 3.47Å; L601-R616 HydrophobicContact CD1-CG 4.35Å; L601-S619 WeakPolarHBondContact CD2-OG 3.44Å; L601-I794 HydrophobicContact CD2-CD1 3.89Å; L601-I794 HydrophobicContact CD2-CG2 3.97Å; L601-I794 HydrophobicContact CG-CG2 4.27Å; L601-F846 HydrophobicContact CD1-CE2 3.86Å
602	V	89.5	Confident	88.3	Confident	10 Å²	10	27.7 Å²	27.7	6%	0.061	16%	0.164	C	C	.	.	H	α-helix	trans	-62.9	-41.8	174.5	169.4	0	0	0	0	111.3	V557 E598 S600 V604 S605 R606 F612	V557-V602 HydrophobicContact CB-CG2 4.42Å; V557-V602 HydrophobicContact CG1-CB 4.45Å; V557-V602 HydrophobicContact CG1-CG2 3.39Å; E598-V602 PolarHBondContact O-N 2.6Å; E598-V602 VanDerWaalsContact O-N 3.16Å; S600-V602 PolarHBondContact O-N 3.09Å; V602-V604 VanDerWaalsContact C-N 3.32Å; V602-V604 PolarHBondContact O-N 2.98Å; V602-S605 PolarHBondContact O-N 3.29Å; V602-R606 HydrophobicContact CG1-CG 4.44Å; V602-R606 VanDerWaalsContact CG1-CZ 3.42Å; V602-R606 WeakPolarHBondContact O-CG 3.43Å; V602-R606 PolarHBondContact O-N 2.87Å; V602-F612 HydrophobicContact CB-CD2 4.41Å; V602-F612 HydrophobicContact CG2-CD2 3.46Å; V602-F612 VanDerWaalsContact CG2-CD2 3.46Å; V602-F612 HydrophobicContact CG2-CE2 3.44Å; V602-F612 VanDerWaalsContact CG2-CE2 3.44Å; V602-F612 HydrophobicContact CG2-CG 4.04Å; V602-F612 HydrophobicContact CG2-CZ 3.99Å
603	S	86.8	Confident	88.4	Confident	28 Å²	28	30.9 Å²	30.9	20%	0.196	18%	0.177	C	C	.	.	H	α-helix	trans	-60.4	-42.8	176.9	-162	0	0	0	0	112	S599 S600 L601 S607 N983	S599-S603 PolarHBondContact O-N 3.49Å; S599-S603 VanDerWaalsContact O-N 3.09Å; S600-S603 WeakPolarHBondContact O-CB 3.48Å; S600-S603 PolarHBondContact O-N 3.04Å; L601-S603 VanDerWaalsContact C-N 3.34Å; L601-S603 PolarHBondContact O-N 2.9Å; S603-S607 PolarHBondContact O-N 2.69Å; S603-S607 VanDerWaalsContact O-N 3.15Å; S603-N983 PolarHBondContact OG-ND2 3.45Å
604	V	87.6	Confident	88.6	Confident	24 Å²	24	31.5 Å²	31.5	15%	0.145	18%	0.18	C	C	.	.	H	α-helix	trans	-68.4	-45.3	177.4	174.1	0	0	0	0	110.8	S600 L601 V602 R606 S607 T608 L615 I794	S600-V604 WeakPolarHBondContact O-CG2 3.49Å; S600-V604 PolarHBondContact O-N 2.88Å; L601-V604 PolarHBondContact O-N 3.22Å; V602-V604 VanDerWaalsContact C-N 3.32Å; V602-V604 PolarHBondContact O-N 2.98Å; V604-R606 VanDerWaalsContact C-N 3.3Å; V604-R606 PolarHBondContact O-N 3.44Å; V604-S607 WeakPolarHBondContact CA-OG 3.5Å; V604-S607 PolarHBondContact O-N 3.02Å; V604-S607 PolarHBondContact O-OG 2.89Å; V604-T608 HydrophobicContact CG1-CG2 4.19Å; V604-T608 PolarHBondContact O-N 3.23Å; V604-T608 PolarHBondContact O-OG1 3.37Å; V604-T608 VanDerWaalsContact O-OG1 3.09Å; V604-L615 HydrophobicContact CB-CD2 3.98Å; V604-L615 HydrophobicContact CG1-CD2 3.77Å; V604-I794 HydrophobicContact CG2-CD1 4.19Å
605	S	88.5	Confident	88.5	Confident	14 Å²	14	31.4 Å²	31.4	10%	0.098	18%	0.179	C	C	.	.	H	α-helix	trans	-55	-43.6	175.1	161.9	0	0	0	0	112.1	L601 V602 S607 T608 G609 V610 F612	L601-S605 VanDerWaalsContact O-CB 3.32Å; L601-S605 WeakPolarHBondContact O-CB 3.37Å; L601-S605 PolarHBondContact O-N 3.22Å; V602-S605 PolarHBondContact O-N 3.29Å; S605-S607 VanDerWaalsContact C-N 3.33Å; S605-S607 PolarHBondContact O-N 3.4Å; S605-T608 PolarHBondContact O-N 3.49Å; S605-T608 PolarHBondContact O-OG1 3.45Å; S605-G609 WeakPolarHBondContact O-CA 3.24Å; S605-G609 PolarHBondContact O-N 3.41Å; S605-V610 WeakPolarHBondContact CB-O 3.25Å; S605-V610 PolarHBondContact O-N 2.87Å; S605-V610 PolarHBondContact OG-O 3.26Å; S605-F612 PolarHBondContact OG-N 3.47Å
606	R	87.7	Confident	88.6	Confident	181 Å²	181	31.7 Å²	31.7	68%	0.683	18%	0.18	S	C	*	.	H	α-helix	trans	-64.4	-35.2	175	-71.6	176.9	-172.9	159.6	6.6	112.8	V602 V604	V602-R606 HydrophobicContact CG1-CG 4.44Å; V602-R606 VanDerWaalsContact CG1-CZ 3.42Å; V602-R606 WeakPolarHBondContact O-CG 3.43Å; V602-R606 PolarHBondContact O-N 2.87Å; V604-R606 VanDerWaalsContact C-N 3.3Å; V604-R606 PolarHBondContact O-N 3.44Å
607	S	85.5	Confident	88.9	Confident	95 Å²	95	33 Å²	33	66%	0.664	19%	0.186	S	C	*	.	H	α-helix	trans	-75.5	-33.4	178.7	72.7	0	0	0	0	113.7	S603 V604 S605	S603-S607 PolarHBondContact O-N 2.69Å; S603-S607 VanDerWaalsContact O-N 3.15Å; V604-S607 WeakPolarHBondContact CA-OG 3.5Å; V604-S607 PolarHBondContact O-N 3.02Å; V604-S607 PolarHBondContact O-OG 2.89Å; S605-S607 VanDerWaalsContact C-N 3.33Å; S605-S607 PolarHBondContact O-N 3.4Å
608	T	85.6	Confident	89	Confident	33 Å²	33	34.7 Å²	34.7	20%	0.202	19%	0.192	C	C	.	.	H	α-helix	trans	-93	-18.1	-178.1	58.4	0	0	0	0	113.1	V604 S605 V610	V604-T608 HydrophobicContact CG1-CG2 4.19Å; V604-T608 PolarHBondContact O-N 3.23Å; V604-T608 PolarHBondContact O-OG1 3.37Å; V604-T608 VanDerWaalsContact O-OG1 3.09Å; S605-T608 PolarHBondContact O-N 3.49Å; S605-T608 PolarHBondContact O-OG1 3.45Å; T608-V610 VanDerWaalsContact C-N 3.26Å; T608-V610 PolarHBondContact O-N 3.38Å
609	G	86.2	Confident	89.1	Confident	60 Å²	60	34.6 Å²	34.6	62%	0.619	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.1	11.1	-175.3	0	0	0	0	0	114.2	S605	S605-G609 WeakPolarHBondContact O-CA 3.24Å; S605-G609 PolarHBondContact O-N 3.41Å
610	V	86.8	Confident	89.5	Confident	5 Å²	5	33.5 Å²	33.5	3%	0.03	18%	0.184	C	C	.	.			trans	-86	145.3	178.4	179.5	0	0	0	0	109.7	S605 T608 F612 Q614 Y779 A782 I787	S605-V610 WeakPolarHBondContact CB-O 3.25Å; S605-V610 PolarHBondContact O-N 2.87Å; S605-V610 PolarHBondContact OG-O 3.26Å; T608-V610 VanDerWaalsContact C-N 3.26Å; T608-V610 PolarHBondContact O-N 3.38Å; V610-F612 PolarHBondContact O-N 3.1Å; V610-Q614 HydrophobicContact CG1-CB 4.32Å; V610-Y779 HydrophobicContact CG1-CD1 4.44Å; V610-A782 HydrophobicContact CG2-CB 4.21Å; V610-I787 HydrophobicContact CG2-CD1 3.45Å; V610-I787 VanDerWaalsContact CG2-CD1 3.45Å; V610-I787 HydrophobicContact CG2-CG1 3.94Å
611	D	89.5	Confident	89.8	Confident	74 Å²	74	37.8 Å²	37.8	40%	0.396	20%	0.203	S	C	.	.			trans	-58.8	132.6	175.8	-176.8	24.9	0	0	0	111.2	K613 Q614 L615	D611-K613 PolarHBondContact O-N 3.19Å; D611-Q614 HydrophobicContact CB-CG 4.07Å; D611-Q614 PolarHBondContact O-N 3.47Å; D611-Q614 VanDerWaalsContact O-N 3.14Å; D611-L615 PolarHBondContact O-N 3.29Å
612	F	89.9	Confident	90.1	Very high	12 Å²	12	39.5 Å²	39.5	5%	0.053	21%	0.209	C	C	.	.	H	α-helix	trans	-56.2	-40.9	-176.8	164.7	-112.3	0	0	0	111.6	V557 D558 Y561 E598 L601 V602 S605 V610 Q614 L615 R616	V557-F612 HydrophobicContact CG1-CZ 4.19Å; D558-F612 HydrophobicContact CB-CD1 4.41Å; D558-F612 HydrophobicContact CB-CE1 4.33Å; Y561-F612 AromaticContact CE2-CE1 3.88Å; Y561-F612 HydrophobicContact CE2-CE1 3.88Å; Y561-F612 AromaticContact CE2-CZ 3.95Å; Y561-F612 HydrophobicContact CE2-CZ 3.95Å; E598-F612 WeakPolarHBondContact OE2-CZ 3.44Å; L601-F612 HydrophobicContact CB-CD2 4.27Å; L601-F612 HydrophobicContact CB-CE2 3.78Å; V602-F612 HydrophobicContact CB-CD2 4.41Å; V602-F612 HydrophobicContact CG2-CD2 3.46Å; V602-F612 VanDerWaalsContact CG2-CD2 3.46Å; V602-F612 HydrophobicContact CG2-CE2 3.44Å; V602-F612 VanDerWaalsContact CG2-CE2 3.44Å; V602-F612 HydrophobicContact CG2-CG 4.04Å; V602-F612 HydrophobicContact CG2-CZ 3.99Å; S605-F612 PolarHBondContact OG-N 3.47Å; V610-F612 PolarHBondContact O-N 3.1Å; F612-Q614 VanDerWaalsContact C-N 3.34Å; F612-Q614 PolarHBondContact O-N 3.25Å; F612-L615 PolarHBondContact O-N 3.02Å; F612-R616 WeakPolarHBondContact O-CB 3.48Å; F612-R616 PolarHBondContact O-N 3.38Å
613	K	89.9	Confident	90.3	Very high	70 Å²	70	39 Å²	39	30%	0.304	21%	0.206	S	C	.	.	H	α-helix	trans	-63.6	-38.3	-179.1	-62	179.2	-177.3	176.9	0	112.3	D611 F617 P771	D611-K613 PolarHBondContact O-N 3.19Å; K613-F617 WeakPolarHBondContact O-CB 3.46Å; K613-F617 PolarHBondContact O-N 2.92Å; K613-P771 HydrophobicContact CB-CB 4.29Å
614	Q	90.3	Very high	90.7	Very high	13 Å²	13	38.1 Å²	38.1	6%	0.061	20%	0.2	C	C	.	.	H	α-helix	trans	-68.7	-48.8	178.6	-63.2	175.9	-8.5	0	0	111.4	V610 D611 F612 R616 F617 W618 R775	V610-Q614 HydrophobicContact CG1-CB 4.32Å; D611-Q614 HydrophobicContact CB-CG 4.07Å; D611-Q614 PolarHBondContact O-N 3.47Å; D611-Q614 VanDerWaalsContact O-N 3.14Å; F612-Q614 VanDerWaalsContact C-N 3.34Å; F612-Q614 PolarHBondContact O-N 3.25Å; Q614-R616 PolarHBondContact O-N 3.29Å; Q614-F617 PolarHBondContact O-N 3.43Å; Q614-W618 VanDerWaalsContact O-CD1 3.27Å; Q614-W618 PolarHBondContact O-N 2.79Å; Q614-W618 VanDerWaalsContact O-N 3.14Å; Q614-R775 PolarHBondContact NE2-O 2.96Å
615	L	90.1	Very high	91.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.7	-39.3	178.1	-177.1	69.6	0	0	0	111.3	L601 V604 D611 F612 S619 I787 S791	L601-L615 HydrophobicContact CD2-CD2 4.01Å; L601-L615 HydrophobicContact CD2-CG 3.98Å; L601-L615 WeakPolarHBondContact O-CD2 3.47Å; V604-L615 HydrophobicContact CB-CD2 3.98Å; V604-L615 HydrophobicContact CG1-CD2 3.77Å; D611-L615 PolarHBondContact O-N 3.29Å; F612-L615 PolarHBondContact O-N 3.02Å; L615-S619 WeakPolarHBondContact O-CB 3.39Å; L615-S619 PolarHBondContact O-N 2.91Å; L615-S619 PolarHBondContact O-OG 3.33Å; L615-I787 HydrophobicContact CD1-CG2 4.31Å; L615-S791 WeakPolarHBondContact CD1-OG 3.3Å
616	R	92.9	Very high	91.4	Very high	10 Å²	10	42 Å²	42	4%	0.038	22%	0.216	C	C	.	.	H	α-helix	trans	-65.9	-44.2	177.3	-176	173	-171.1	-127.8	-12.9	112.9	Y561 E598 L601 F612 Q614 S619 A620 S839 G843 W844 F846	Y561-R616 PolarHBondContact OH-NE 3.5Å; Y561-R616 PolarHBondContact OH-NH1 3.19Å; Y561-R616 PolarHBondContact OH-NH2 2.9Å; Y561-R616 VanDerWaalsContact OH-NH2 3.11Å; E598-R616 IonicContact OE1-CZ 2.74Å; E598-R616 VanDerWaalsContact OE1-CZ 3.32Å; E598-R616 IonicContact OE1-NE 3.79Å; E598-R616 PolarHBondContact OE1-NE 3.28Å; E598-R616 IonicContact OE1-NH2 3.15Å; E598-R616 PolarHBondContact OE1-NH2 3.39Å; E598-R616 IonicContact OE2-CZ 3.37Å; E598-R616 IonicContact OE2-NE 2.85Å; E598-R616 PolarHBondContact OE2-NE 2.84Å; E598-R616 VanDerWaalsContact OE2-NE 3.15Å; E598-R616 IonicContact OE2-NH2 3.94Å; L601-R616 HydrophobicContact CD1-CG 4.35Å; F612-R616 WeakPolarHBondContact O-CB 3.48Å; F612-R616 PolarHBondContact O-N 3.38Å; Q614-R616 PolarHBondContact O-N 3.29Å; R616-S619 PolarHBondContact O-N 2.96Å; R616-A620 WeakPolarHBondContact O-CB 3.22Å; R616-A620 PolarHBondContact O-N 3.42Å; R616-S839 PolarHBondContact NH2-OG 2.89Å; R616-G843 PolarHBondContact NH1-O 2.99Å; R616-W844 VanDerWaalsContact NH2-C 3.28Å; R616-W844 PolarHBondContact NH2-O 2.73Å; R616-F846 HydrophobicContact CG-CE2 4.21Å; R616-F846 HydrophobicContact CG-CZ 4.05Å
617	F	93.6	Very high	91.6	Very high	33 Å²	33	33.4 Å²	33.4	15%	0.145	18%	0.183	C	C	.	.	H	α-helix	trans	-56.9	-49.8	175.4	173.4	-95.2	0	0	0	111.4	K613 Q614 A620 F621 P771 F773 L776 I841	K613-F617 WeakPolarHBondContact O-CB 3.46Å; K613-F617 PolarHBondContact O-N 2.92Å; Q614-F617 PolarHBondContact O-N 3.43Å; F617-A620 PolarHBondContact O-N 3.39Å; F617-F621 WeakPolarHBondContact O-CB 3.45Å; F617-F621 PolarHBondContact O-N 3.11Å; F617-P771 HydrophobicContact CB-CB 4.45Å; F617-P771 HydrophobicContact CB-CG 4.16Å; F617-P771 HydrophobicContact CD2-CG 3.94Å; F617-P771 HydrophobicContact CG-CG 4.2Å; F617-F773 HydrophobicContact CE2-CE1 4.24Å; F617-L776 HydrophobicContact CB-CD2 4.48Å; F617-L776 HydrophobicContact CD1-CD1 4.39Å; F617-L776 HydrophobicContact CD1-CD2 3.77Å; F617-L776 HydrophobicContact CE1-CD1 4.03Å; F617-L776 HydrophobicContact CE1-CD2 4.25Å; F617-L776 HydrophobicContact CG-CD2 4.15Å; F617-L776 HydrophobicContact CZ-CD1 4.36Å; F617-I841 HydrophobicContact CE2-CG1 4.44Å
618	W	93	Very high	91.9	Very high	38 Å²	38	34.5 Å²	34.5	14%	0.144	18%	0.176	C	C	.	.	H	α-helix	trans	-64.3	-42.1	178.7	-73.6	117.2	0	0	0	112.5	Q614 A620 F621 Y622 L776 Y779 H788	Q614-W618 VanDerWaalsContact O-CD1 3.27Å; Q614-W618 PolarHBondContact O-N 2.79Å; Q614-W618 VanDerWaalsContact O-N 3.14Å; W618-A620 VanDerWaalsContact C-N 3.33Å; W618-A620 PolarHBondContact O-N 3.33Å; W618-F621 HydrophobicContact CE3-CD1 4.27Å; W618-F621 HydrophobicContact CZ3-CD1 4.22Å; W618-F621 PolarHBondContact O-N 2.9Å; W618-Y622 HydrophobicContact CB-CD2 4.49Å; W618-Y622 HydrophobicContact CB-CE2 4.24Å; W618-Y622 HydrophobicContact CE3-CE2 4.3Å; W618-Y622 WeakPolarHBondContact O-CD2 3.46Å; W618-Y622 PolarHBondContact O-N 3.11Å; W618-L776 PolarHBondContact NE1-O 2.91Å; W618-Y779 AromaticContact NE1-CE1 3.97Å; W618-Y779 AromaticContact NE1-CZ 3.95Å; W618-Y779 PolarHBondContact NE1-OH 3.34Å; W618-H788 AromaticContact CD2-CE1 3.63Å; W618-H788 AromaticContact CD2-ND1 3.98Å; W618-H788 AromaticContact CE2-CE1 3.56Å; W618-H788 AromaticContact CE3-CE1 3.75Å; W618-H788 AromaticContact CE3-ND1 3.97Å; W618-H788 AromaticContact CH2-CE1 3.79Å; W618-H788 AromaticContact CZ2-CE1 3.65Å; W618-H788 AromaticContact CZ3-CE1 3.83Å
619	S	93.1	Very high	92.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-62.1	-40.1	176.7	-59	0	0	0	0	112.2	L601 L615 R616 C623	L601-S619 WeakPolarHBondContact CD2-OG 3.44Å; L615-S619 WeakPolarHBondContact O-CB 3.39Å; L615-S619 PolarHBondContact O-N 2.91Å; L615-S619 PolarHBondContact O-OG 3.33Å; R616-S619 PolarHBondContact O-N 2.96Å; S619-C623 WeakPolarHBondContact O-CB 3.41Å; S619-C623 PolarHBondContact O-N 3.08Å
620	A	94.8	Very high	92.5	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.008	16%	0.163	C	C	.	.	H	α-helix	trans	-65.6	-42.9	175.1	0	0	0	0	0	112.1	R616 F617 W618 C623 S624 P836 F846	R616-A620 WeakPolarHBondContact O-CB 3.22Å; R616-A620 PolarHBondContact O-N 3.42Å; F617-A620 PolarHBondContact O-N 3.39Å; W618-A620 VanDerWaalsContact C-N 3.33Å; W618-A620 PolarHBondContact O-N 3.33Å; A620-C623 WeakPolarHBondContact O-CB 3.39Å; A620-C623 PolarHBondContact O-N 3.49Å; A620-S624 PolarHBondContact O-N 2.8Å; A620-S624 PolarHBondContact O-OG 3.44Å; A620-P836 HydrophobicContact CB-CB 4.44Å; A620-P836 WeakPolarHBondContact CB-O 3.47Å; A620-F846 HydrophobicContact CB-CE1 3.69Å; A620-F846 HydrophobicContact CB-CZ 3.86Å
621	F	94.5	Very high	92.6	Very high	93 Å²	93	35.3 Å²	35.3	41%	0.408	16%	0.163	S	C	.	.	H	α-helix	trans	-62.2	-46.2	177.7	-175.9	-105.5	0	0	0	111.9	F617 W618 S624 I625	F617-F621 WeakPolarHBondContact O-CB 3.45Å; F617-F621 PolarHBondContact O-N 3.11Å; W618-F621 HydrophobicContact CE3-CD1 4.27Å; W618-F621 HydrophobicContact CZ3-CD1 4.22Å; W618-F621 PolarHBondContact O-N 2.9Å; F621-S624 PolarHBondContact O-N 3.33Å; F621-I625 HydrophobicContact CD1-CD1 3.8Å; F621-I625 HydrophobicContact CE1-CD1 3.44Å; F621-I625 VanDerWaalsContact CE1-CD1 3.44Å; F621-I625 HydrophobicContact CE1-CG1 4.37Å; F621-I625 HydrophobicContact CZ-CD1 4.04Å; F621-I625 PolarHBondContact O-N 3.49Å
622	Y	95.3	Very high	92.6	Very high	36 Å²	36	32.1 Å²	32.1	14%	0.141	15%	0.148	C	C	.	.	H	α-helix	trans	-64.8	-39.1	175.3	-69.7	-57	0	0	0	112.4	W618 S624 I625 F626 H788 I792	W618-Y622 HydrophobicContact CB-CD2 4.49Å; W618-Y622 HydrophobicContact CB-CE2 4.24Å; W618-Y622 HydrophobicContact CE3-CE2 4.3Å; W618-Y622 WeakPolarHBondContact O-CD2 3.46Å; W618-Y622 PolarHBondContact O-N 3.11Å; Y622-S624 VanDerWaalsContact C-N 3.27Å; Y622-S624 PolarHBondContact O-N 2.69Å; Y622-I625 HydrophobicContact CD1-CD1 4.07Å; Y622-I625 HydrophobicContact CE1-CD1 4.48Å; Y622-I625 PolarHBondContact O-N 2.82Å; Y622-I625 VanDerWaalsContact O-N 3.16Å; Y622-F626 VanDerWaalsContact O-CD2 3.22Å; Y622-F626 WeakPolarHBondContact O-CD2 3.05Å; Y622-F626 PolarHBondContact O-N 3.15Å; Y622-H788 AromaticContact CE2-ND1 3.92Å; Y622-H788 AromaticContact CZ-ND1 3.79Å; Y622-H788 PolarHBondContact OH-ND1 3Å; Y622-I792 HydrophobicContact CD1-CD1 4.43Å; Y622-I792 HydrophobicContact CD1-CG1 3.61Å; Y622-I792 HydrophobicContact CD2-CB 4.49Å; Y622-I792 HydrophobicContact CD2-CG1 3.7Å; Y622-I792 HydrophobicContact CE1-CD1 3.99Å; Y622-I792 HydrophobicContact CE1-CG1 3.59Å; Y622-I792 HydrophobicContact CE2-CD1 4.45Å; Y622-I792 HydrophobicContact CE2-CG1 3.69Å; Y622-I792 HydrophobicContact CG-CG1 3.68Å
623	C	95	Very high	92.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-54.6	-44.5	172.2	179.3	0	0	0	0	111.6	S619 A620 F626 G627 L798 P836	S619-C623 WeakPolarHBondContact O-CB 3.41Å; S619-C623 PolarHBondContact O-N 3.08Å; A620-C623 WeakPolarHBondContact O-CB 3.39Å; A620-C623 PolarHBondContact O-N 3.49Å; C623-F626 PolarHBondContact O-N 3.42Å; C623-G627 PolarHBondContact O-N 3.47Å; C623-L798 HydrophobicContact CB-CB 4.4Å; C623-L798 HydrophobicContact CB-CD2 3.99Å; C623-L798 HydrophobicContact CB-CG 4.26Å; C623-P836 HydrophobicContact CB-CB 4.43Å
624	S	95.6	Very high	92.3	Very high	8 Å²	8	30.8 Å²	30.8	6%	0.056	15%	0.147	C	C	.	.	H	α-helix	trans	-68.2	-33.6	178	-64.3	0	0	0	0	113.8	A620 F621 Y622 G627 F628 Q832 I833 I837	A620-S624 PolarHBondContact O-N 2.8Å; A620-S624 PolarHBondContact O-OG 3.44Å; F621-S624 PolarHBondContact O-N 3.33Å; Y622-S624 VanDerWaalsContact C-N 3.27Å; Y622-S624 PolarHBondContact O-N 2.69Å; S624-G627 PolarHBondContact O-N 2.98Å; S624-F628 PolarHBondContact O-N 3.27Å; S624-Q832 WeakPolarHBondContact CA-O 3.39Å; S624-Q832 PolarHBondContact OG-O 3.19Å; S624-I833 PolarHBondContact OG-O 2.94Å; S624-I837 WeakPolarHBondContact OG-CG1 3.24Å
625	I	95.6	Very high	92	Very high	67 Å²	67	32 Å²	32	34%	0.344	15%	0.153	S	C	.	.	H	α-helix	trans	-62.8	-49.2	172	-69.8	169.2	0	0	0	110.3	F621 Y622 G627 F628 I629	F621-I625 HydrophobicContact CD1-CD1 3.8Å; F621-I625 HydrophobicContact CE1-CD1 3.44Å; F621-I625 VanDerWaalsContact CE1-CD1 3.44Å; F621-I625 HydrophobicContact CE1-CG1 4.37Å; F621-I625 HydrophobicContact CZ-CD1 4.04Å; F621-I625 PolarHBondContact O-N 3.49Å; Y622-I625 HydrophobicContact CD1-CD1 4.07Å; Y622-I625 HydrophobicContact CE1-CD1 4.48Å; Y622-I625 PolarHBondContact O-N 2.82Å; Y622-I625 VanDerWaalsContact O-N 3.16Å; I625-G627 VanDerWaalsContact C-N 3.29Å; I625-G627 PolarHBondContact O-N 3.29Å; I625-F628 WeakPolarHBondContact O-CB 3.29Å; I625-F628 PolarHBondContact O-N 2.96Å; I625-F628 VanDerWaalsContact O-N 3.17Å; I625-I629 HydrophobicContact CG2-CD1 4.13Å; I625-I629 WeakPolarHBondContact O-CG1 3.41Å; I625-I629 PolarHBondContact O-N 2.92Å
626	F	93.8	Very high	91.5	Very high	54 Å²	54	32.4 Å²	32.4	24%	0.237	16%	0.156	C	C	.	.	H	α-helix	trans	-64.4	-34.7	176.5	-77.7	-74.3	0	0	0	112.1	Y622 C623 F628 I629 F630 I792 V796 A799	Y622-F626 VanDerWaalsContact O-CD2 3.22Å; Y622-F626 WeakPolarHBondContact O-CD2 3.05Å; Y622-F626 PolarHBondContact O-N 3.15Å; C623-F626 PolarHBondContact O-N 3.42Å; F626-F628 PolarHBondContact O-N 3.47Å; F626-I629 HydrophobicContact CD1-CD1 4.19Å; F626-I629 HydrophobicContact CE1-CD1 4.44Å; F626-I629 WeakPolarHBondContact O-CB 3.23Å; F626-I629 PolarHBondContact O-N 3.45Å; F626-F630 WeakPolarHBondContact O-CD1 3.31Å; F626-F630 WeakPolarHBondContact O-CG 3.17Å; F626-F630 PolarHBondContact O-N 3.12Å; F626-I792 HydrophobicContact CE2-CG2 4.2Å; F626-I792 HydrophobicContact CZ-CG2 4.42Å; F626-V796 HydrophobicContact CD1-CG2 4.13Å; F626-V796 HydrophobicContact CD2-CG2 3.56Å; F626-V796 HydrophobicContact CE1-CG2 3.76Å; F626-V796 HydrophobicContact CE2-CB 4.49Å; F626-V796 HydrophobicContact CE2-CG2 3.18Å; F626-V796 HydrophobicContact CG-CG2 4.05Å; F626-V796 HydrophobicContact CZ-CG2 3.28Å; F626-A799 HydrophobicContact CB-CB 3.83Å
627	G	92.4	Very high	90.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59.9	-43.2	171.1	0	0	0	0	0	112.8	C623 S624 I625 F630 V631	C623-G627 PolarHBondContact O-N 3.47Å; S624-G627 PolarHBondContact O-N 2.98Å; I625-G627 VanDerWaalsContact C-N 3.29Å; I625-G627 PolarHBondContact O-N 3.29Å; G627-F630 PolarHBondContact O-N 3.31Å; G627-V631 WeakPolarHBondContact O-CG2 3.33Å; G627-V631 PolarHBondContact O-N 3.21Å
628	F	93	Very high	90	Very high	118 Å²	118	35.2 Å²	35.2	52%	0.518	18%	0.177	S	C	.	.	H	α-helix	trans	-63.6	-40.8	174.6	-172.1	-97.5	0	0	0	111.8	F501 S624 I625 F626 V631 G632 I833	F501-F628 HydrophobicContact CE1-CD2 4.2Å; F501-F628 HydrophobicContact CE1-CE1 4.5Å; F501-F628 AromaticContact CE1-CE2 3.86Å; F501-F628 HydrophobicContact CE1-CE2 3.86Å; F501-F628 HydrophobicContact CE1-CZ 4.04Å; F501-F628 HydrophobicContact CE2-CE1 4.22Å; F501-F628 AromaticContact CE2-CZ 3.96Å; F501-F628 HydrophobicContact CE2-CZ 3.96Å; F501-F628 HydrophobicContact CZ-CD1 4.06Å; F501-F628 HydrophobicContact CZ-CD2 4.12Å; F501-F628 AromaticContact CZ-CE1 3.53Å; F501-F628 HydrophobicContact CZ-CE1 3.53Å; F501-F628 AromaticContact CZ-CE2 3.59Å; F501-F628 HydrophobicContact CZ-CE2 3.59Å; F501-F628 HydrophobicContact CZ-CG 4.34Å; F501-F628 AromaticContact CZ-CZ 3.27Å; F501-F628 HydrophobicContact CZ-CZ 3.27Å; S624-F628 PolarHBondContact O-N 3.27Å; I625-F628 WeakPolarHBondContact O-CB 3.29Å; I625-F628 PolarHBondContact O-N 2.96Å; I625-F628 VanDerWaalsContact O-N 3.17Å; F626-F628 PolarHBondContact O-N 3.47Å; F628-V631 PolarHBondContact O-N 3.04Å; F628-G632 PolarHBondContact O-N 2.94Å; F628-I833 HydrophobicContact CB-CD1 4.35Å; F628-I833 HydrophobicContact CD2-CD1 4.38Å
629	I	92.6	Very high	89.2	Confident	76 Å²	76	33.8 Å²	33.8	39%	0.39	17%	0.173	S	C	.	.	H	α-helix	trans	-62.3	-45.2	173.9	-65.4	167.5	0	0	0	110.6	I625 F626 V631 G632 C633	I625-I629 HydrophobicContact CG2-CD1 4.13Å; I625-I629 WeakPolarHBondContact O-CG1 3.41Å; I625-I629 PolarHBondContact O-N 2.92Å; F626-I629 HydrophobicContact CD1-CD1 4.19Å; F626-I629 HydrophobicContact CE1-CD1 4.44Å; F626-I629 WeakPolarHBondContact O-CB 3.23Å; F626-I629 PolarHBondContact O-N 3.45Å; I629-V631 PolarHBondContact O-N 2.78Å; I629-G632 PolarHBondContact O-N 3.37Å; I629-C633 WeakPolarHBondContact O-CB 3.46Å; I629-C633 PolarHBondContact O-N 3.34Å; I629-C633 PolarHBondContact O-SG 3.44Å; I629-C633 VanDerWaalsContact O-SG 3.36Å
630	F	90.7	Very high	88.2	Confident	34 Å²	34	39 Å²	39	15%	0.149	20%	0.195	C	C	.	.	H	α-helix	trans	-63.1	-41	-179.7	-73.4	3.2	0	0	0	112.5	F626 G627 N634 I635 A799 I800 F803 Q832	F626-F630 WeakPolarHBondContact O-CD1 3.31Å; F626-F630 WeakPolarHBondContact O-CG 3.17Å; F626-F630 PolarHBondContact O-N 3.12Å; G627-F630 PolarHBondContact O-N 3.31Å; F630-N634 PolarHBondContact O-N 3.5Å; F630-I635 HydrophobicContact CB-CB 4.37Å; F630-I635 HydrophobicContact CB-CD1 4.1Å; F630-I635 HydrophobicContact CD1-CD1 3.51Å; F630-I635 HydrophobicContact CE1-CD1 4.1Å; F630-I635 HydrophobicContact CG-CD1 3.89Å; F630-I635 WeakPolarHBondContact O-CB 3.45Å; F630-I635 PolarHBondContact O-N 3.49Å; F630-A799 HydrophobicContact CE2-CB 4.19Å; F630-I800 HydrophobicContact CE2-CG1 4.48Å; F630-I800 HydrophobicContact CZ-CG1 4.23Å; F630-F803 HydrophobicContact CD2-CB 4.42Å; F630-F803 HydrophobicContact CD2-CD2 4.49Å; F630-F803 HydrophobicContact CE2-CB 4.41Å; F630-Q832 VanDerWaalsContact CD2-OE1 3.25Å
631	V	89.7	Confident	87.3	Confident	4 Å²	4	44.2 Å²	44.2	2%	0.024	22%	0.219	C	C	.	.	H	α-helix	trans	-69.1	-40.6	174.6	177.8	0	0	0	0	110.8	F501 L504 G627 F628 I629 N634 V825 L828 V829 I833	F501-V631 HydrophobicContact CD1-CG1 3.83Å; F501-V631 HydrophobicContact CE1-CB 4.34Å; F501-V631 HydrophobicContact CE1-CG1 3.99Å; L504-V631 HydrophobicContact CB-CG1 4.29Å; L504-V631 HydrophobicContact CD2-CG1 4.24Å; G627-V631 WeakPolarHBondContact O-CG2 3.33Å; G627-V631 PolarHBondContact O-N 3.21Å; F628-V631 PolarHBondContact O-N 3.04Å; I629-V631 PolarHBondContact O-N 2.78Å; V631-N634 PolarHBondContact O-N 3.45Å; V631-V825 HydrophobicContact CG1-CG1 4.16Å; V631-L828 HydrophobicContact CG2-CB 4.36Å; V631-V829 HydrophobicContact CG1-CG2 4.2Å; V631-V829 HydrophobicContact CG2-CG2 4.11Å; V631-I833 HydrophobicContact CG2-CD1 4.25Å
632	G	88.6	Confident	86.5	Confident	8 Å²	8	41.1 Å²	41.1	8%	0.082	21%	0.207	C	C	.	.	H	α-helix	trans	-62.7	-40.2	176.4	0	0	0	0	0	113.1	P500 F501 F628 I629 N634	P500-G632 WeakPolarHBondContact CA-O 3.29Å; P500-G632 WeakPolarHBondContact CB-O 3.36Å; F501-G632 PolarHBondContact N-O 3.27Å; F628-G632 PolarHBondContact O-N 2.94Å; I629-G632 PolarHBondContact O-N 3.37Å; G632-N634 PolarHBondContact O-N 3.04Å
633	C	88.1	Confident	85.9	Confident	40 Å²	40	40.5 Å²	40.5	27%	0.27	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	7.4	176.8	-67.8	0	0	0	0	114.1	F497 I629 I635	F497-C633 HydrophobicContact CE2-CB 4.5Å; F497-C633 WeakPolarHBondContact CE2-O 3.2Å; F497-C633 HydrophobicContact CZ-CB 3.97Å; I629-C633 WeakPolarHBondContact O-CB 3.46Å; I629-C633 PolarHBondContact O-N 3.34Å; I629-C633 PolarHBondContact O-SG 3.44Å; I629-C633 VanDerWaalsContact O-SG 3.36Å; C633-I635 HydrophobicContact CB-CD1 4.18Å; C633-I635 HydrophobicContact CB-CG1 3.88Å; C633-I635 PolarHBondContact O-N 3.31Å; C633-I635 VanDerWaalsContact O-N 3.17Å
634	N	85.3	Confident	85.2	Confident	14 Å²	14	44.8 Å²	44.8	8%	0.075	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	36.5	179.6	-55.5	-48.1	0	0	0	113.5	D496 I502 E503 F630 V631 G632 S636 G637	D496-N634 PolarHBondContact O-ND2 2.97Å; I502-N634 WeakPolarHBondContact CG2-ND2 3.34Å; I502-N634 PolarHBondContact N-OD1 3.24Å; E503-N634 HydrophobicContact CG-CB 3.93Å; E503-N634 PolarHBondContact N-OD1 3.44Å; F630-N634 PolarHBondContact O-N 3.5Å; V631-N634 PolarHBondContact O-N 3.45Å; G632-N634 PolarHBondContact O-N 3.04Å; N634-S636 PolarHBondContact O-N 3.49Å; N634-S636 VanDerWaalsContact O-N 3.13Å; N634-G637 PolarHBondContact O-N 3.23Å
635	I	83.4	Confident	84.8	Confident	38 Å²	38	44.4 Å²	44.4	20%	0.195	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-66.5	-14.8	-179.8	-64.9	-174.4	0	0	0	111.3	F630 C633 G637 I638 F803	F630-I635 HydrophobicContact CB-CB 4.37Å; F630-I635 HydrophobicContact CB-CD1 4.1Å; F630-I635 HydrophobicContact CD1-CD1 3.51Å; F630-I635 HydrophobicContact CE1-CD1 4.1Å; F630-I635 HydrophobicContact CG-CD1 3.89Å; F630-I635 WeakPolarHBondContact O-CB 3.45Å; F630-I635 PolarHBondContact O-N 3.49Å; C633-I635 HydrophobicContact CB-CD1 4.18Å; C633-I635 HydrophobicContact CB-CG1 3.88Å; C633-I635 PolarHBondContact O-N 3.31Å; C633-I635 VanDerWaalsContact O-N 3.17Å; I635-G637 PolarHBondContact O-N 3.48Å; I635-G637 VanDerWaalsContact O-N 3.13Å; I635-I638 HydrophobicContact CB-CD1 4.49Å; I635-I638 HydrophobicContact CG2-CD1 3.79Å; I635-I638 VanDerWaalsContact O-CB 3.32Å; I635-I638 WeakPolarHBondContact O-CB 3.4Å; I635-I638 PolarHBondContact O-N 3.28Å; I635-F803 HydrophobicContact CG2-CD2 4.4Å; I635-F803 HydrophobicContact CG2-CE1 4.31Å; I635-F803 HydrophobicContact CG2-CE2 3.66Å; I635-F803 HydrophobicContact CG2-CZ 3.62Å
636	S	81.1	Confident	84.4	Confident	9 Å²	9	41.5 Å²	41.5	6%	0.063	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-57.2	-30	178	108.6	0	0	0	0	112.6	E503 N634 I638 A639 V825	E503-S636 WeakPolarHBondContact OE2-CB 3.35Å; E503-S636 PolarHBondContact OE2-OG 3.29Å; N634-S636 PolarHBondContact O-N 3.49Å; N634-S636 VanDerWaalsContact O-N 3.13Å; S636-I638 PolarHBondContact O-N 2.95Å; S636-A639 VanDerWaalsContact O-CB 3.27Å; S636-A639 WeakPolarHBondContact O-CB 3.31Å; S636-A639 PolarHBondContact O-N 3.28Å; S636-V825 WeakPolarHBondContact OG-CG2 3.39Å
637	G	74.6	Confident	84.1	Confident	16 Å²	16	39 Å²	39	17%	0.165	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-58.7	-26.1	173.1	0	0	0	0	0	114.7	E503 N634 I635 A639 K640 H641	E503-G637 PolarHBondContact OE2-N 2.85Å; N634-G637 PolarHBondContact O-N 3.23Å; I635-G637 PolarHBondContact O-N 3.48Å; I635-G637 VanDerWaalsContact O-N 3.13Å; G637-A639 PolarHBondContact O-N 3.48Å; G637-K640 WeakPolarHBondContact O-CB 3.37Å; G637-K640 PolarHBondContact O-N 2.91Å; G637-H641 PolarHBondContact O-ND1 2.98Å
638	I	79.7	Confident	83.8	Confident	86 Å²	86	39.1 Å²	39.1	44%	0.441	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-64.4	-29.6	176	-71.6	161.1	0	0	0	111.2	I635 S636 K640 H641 F803	I635-I638 HydrophobicContact CB-CD1 4.49Å; I635-I638 HydrophobicContact CG2-CD1 3.79Å; I635-I638 VanDerWaalsContact O-CB 3.32Å; I635-I638 WeakPolarHBondContact O-CB 3.4Å; I635-I638 PolarHBondContact O-N 3.28Å; S636-I638 PolarHBondContact O-N 2.95Å; I638-K640 PolarHBondContact O-N 3.36Å; I638-K640 VanDerWaalsContact O-N 3.11Å; I638-H641 WeakPolarHBondContact O-CB 3.32Å; I638-H641 PolarHBondContact O-N 2.87Å; I638-F803 HydrophobicContact CB-CZ 4.37Å; I638-F803 HydrophobicContact CG2-CZ 4.49Å
639	A	76.8	Confident	83.7	Confident	7 Å²	7	33.5 Å²	33.5	6%	0.058	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-59.2	-27.7	177.3	0	0	0	0	0	112.7	S636 G637 H641 I642 A807 F824	S636-A639 VanDerWaalsContact O-CB 3.27Å; S636-A639 WeakPolarHBondContact O-CB 3.31Å; S636-A639 PolarHBondContact O-N 3.28Å; G637-A639 PolarHBondContact O-N 3.48Å; A639-H641 PolarHBondContact O-N 3.02Å; A639-I642 PolarHBondContact O-N 3.21Å; A639-A807 HydrophobicContact CB-CB 4.07Å; A639-F824 HydrophobicContact CB-CD1 3.49Å; A639-F824 VanDerWaalsContact CB-CD1 3.49Å; A639-F824 HydrophobicContact CB-CE1 3.48Å; A639-F824 VanDerWaalsContact CB-CE1 3.48Å; A639-F824 HydrophobicContact CB-CG 4.1Å; A639-F824 HydrophobicContact CB-CZ 4.12Å
640	K	71.9	Confident	83.6	Confident	110 Å²	110	30 Å²	30	48%	0.478	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-67.1	-20.5	175.6	-60.3	176.7	-177.3	169.8	0	113.4	G637 I638 L1023	G637-K640 WeakPolarHBondContact O-CB 3.37Å; G637-K640 PolarHBondContact O-N 2.91Å; I638-K640 PolarHBondContact O-N 3.36Å; I638-K640 VanDerWaalsContact O-N 3.11Å; K640-L1023 HydrophobicContact CB-CD1 4.42Å
641	H	75.8	Confident	83.5	Confident	110 Å²	110	28.7 Å²	28.7	51%	0.509	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-91.4	-13.5	-179.4	-61.9	82.2	0	0	0	112.6	G637 I638 A639 R643	G637-H641 PolarHBondContact O-ND1 2.98Å; I638-H641 WeakPolarHBondContact O-CB 3.32Å; I638-H641 PolarHBondContact O-N 2.87Å; A639-H641 PolarHBondContact O-N 3.02Å; H641-R643 WeakPolarHBondContact O-CD 3.36Å; H641-R643 PolarHBondContact O-N 3.45Å
642	I	77.8	Confident	83.5	Confident	29 Å²	29	28.5 Å²	28.5	15%	0.149	14%	0.144	C	C	.	.			trans	-67.6	128.9	177	-60.2	178	0	0	0	109.1	A639 V646 A807 L808 L811	A639-I642 PolarHBondContact O-N 3.21Å; I642-V646 HydrophobicContact CG2-CB 4.16Å; I642-V646 HydrophobicContact CG2-CG1 4.31Å; I642-A807 HydrophobicContact CD1-CB 3.41Å; I642-A807 VanDerWaalsContact CD1-CB 3.41Å; I642-L808 HydrophobicContact CG2-CD2 3.7Å; I642-L811 HydrophobicContact CG2-CD2 4.1Å
643	R	82.4	Confident	83.6	Confident	22 Å²	22	28.2 Å²	28.2	8%	0.083	14%	0.14	C	C	.	.			trans	-110.5	166.7	-176.7	-108.8	74.3	103.3	64.1	-11.8	112.9	H641 S645 V646 E647 R1000 E1001	H641-R643 WeakPolarHBondContact O-CD 3.36Å; H641-R643 PolarHBondContact O-N 3.45Å; R643-S645 VanDerWaalsContact C-N 3.25Å; R643-S645 PolarHBondContact O-N 3.27Å; R643-V646 PolarHBondContact O-N 2.95Å; R643-V646 VanDerWaalsContact O-N 3.1Å; R643-E647 PolarHBondContact O-N 3.06Å; R643-R1000 VanDerWaalsContact CG-NH2 3.29Å; R643-E1001 IonicContact CZ-OE1 3.66Å; R643-E1001 IonicContact CZ-OE2 3.5Å; R643-E1001 VanDerWaalsContact CZ-OE2 3.3Å; R643-E1001 IonicContact NE-OE2 3.44Å; R643-E1001 PolarHBondContact NE-OE2 3.45Å; R643-E1001 VanDerWaalsContact NH2-CD 3.32Å; R643-E1001 IonicContact NH2-OE1 2.84Å; R643-E1001 PolarHBondContact NH2-OE1 2.96Å; R643-E1001 IonicContact NH2-OE2 3.05Å; R643-E1001 PolarHBondContact NH2-OE2 2.83Å
644	R	80.9	Confident	83.7	Confident	90 Å²	90	27 Å²	27	34%	0.34	13%	0.13	S	C	.	.	H	α-helix	trans	-58.6	-37.1	-175.3	174.4	175.1	179.8	166.6	5.8	112	V646 E647 E648 T927 D1018 Y1021	R644-V646 VanDerWaalsContact C-N 3.33Å; R644-V646 PolarHBondContact O-N 3.32Å; R644-E647 WeakPolarHBondContact O-CB 3.44Å; R644-E647 PolarHBondContact O-N 3.41Å; R644-E648 HydrophobicContact CG-CG 4.23Å; R644-E648 VanDerWaalsContact CG-OE1 3.3Å; R644-E648 WeakPolarHBondContact CG-OE1 3.45Å; R644-E648 IonicContact CZ-OE1 2.89Å; R644-E648 IonicContact NE-OE1 2.6Å; R644-E648 PolarHBondContact NE-OE1 2.92Å; R644-E648 IonicContact NH2-OE1 3.29Å; R644-E648 WeakPolarHBondContact O-CG 3.5Å; R644-E648 PolarHBondContact O-N 2.83Å; R644-T927 VanDerWaalsContact CZ-OG1 3.3Å; R644-T927 PolarHBondContact NE-OG1 3.43Å; R644-T927 PolarHBondContact NH2-OG1 3.33Å; R644-D1018 WeakPolarHBondContact CB-OD1 3.32Å; R644-D1018 PolarHBondContact N-OD1 3.14Å; R644-Y1021 HydrophobicContact CB-CD2 4.31Å; R644-Y1021 HydrophobicContact CB-CE2 3.53Å; R644-Y1021 HydrophobicContact CG-CE2 4.06Å; R644-Y1021 WeakPolarHBondContact CG-OH 3.26Å
645	S	86.5	Confident	83.8	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-57.1	-39.4	174.9	53.6	0	0	0	0	114.6	R643 E648 V649 Q963 R1000 D1018	R643-S645 VanDerWaalsContact C-N 3.25Å; R643-S645 PolarHBondContact O-N 3.27Å; S645-E648 PolarHBondContact O-N 3.18Å; S645-V649 WeakPolarHBondContact O-CG2 3.2Å; S645-V649 PolarHBondContact O-N 3.33Å; S645-Q963 PolarHBondContact O-NE2 3.47Å; S645-R1000 PolarHBondContact OG-NE 3.21Å; S645-D1018 VanDerWaalsContact CB-OD2 3.25Å; S645-D1018 WeakPolarHBondContact CB-OD2 3.14Å; S645-D1018 PolarHBondContact N-OD1 2.94Å; S645-D1018 PolarHBondContact OG-OD2 3.48Å
646	V	88.4	Confident	84.2	Confident	7 Å²	7	28 Å²	28	4%	0.042	13%	0.133	C	C	.	.	H	α-helix	trans	-67.2	-42.9	177.4	-176.8	0	0	0	0	110.4	I642 R643 R644 V649 Y650 L808 I993 Y996	I642-V646 HydrophobicContact CG2-CB 4.16Å; I642-V646 HydrophobicContact CG2-CG1 4.31Å; R643-V646 PolarHBondContact O-N 2.95Å; R643-V646 VanDerWaalsContact O-N 3.1Å; R644-V646 VanDerWaalsContact C-N 3.33Å; R644-V646 PolarHBondContact O-N 3.32Å; V646-V649 PolarHBondContact O-N 2.78Å; V646-Y650 PolarHBondContact O-N 2.85Å; V646-L808 HydrophobicContact CG1-CD2 4.46Å; V646-I993 HydrophobicContact CG1-CG2 3.83Å; V646-Y996 HydrophobicContact CG2-CD1 4.1Å; V646-Y996 HydrophobicContact CG2-CE1 4.08Å
647	E	85.6	Confident	84.6	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.7	-41.4	176.1	-161.6	-141.4	132.8	0	0	112.2	R643 R644 Y650 N651 L808 T812 K815 Y1021	R643-E647 PolarHBondContact O-N 3.06Å; R644-E647 WeakPolarHBondContact O-CB 3.44Å; R644-E647 PolarHBondContact O-N 3.41Å; E647-Y650 PolarHBondContact O-N 3.37Å; E647-N651 WeakPolarHBondContact O-CB 3.37Å; E647-N651 PolarHBondContact O-N 3.48Å; E647-N651 PolarHBondContact O-ND2 3.49Å; E647-N651 PolarHBondContact OE1-ND2 3.31Å; E647-L808 HydrophobicContact CB-CD2 3.93Å; E647-L808 HydrophobicContact CG-CD2 4.08Å; E647-T812 PolarHBondContact OE1-OG1 3.09Å; E647-K815 VanDerWaalsContact CD-NZ 3.32Å; E647-K815 WeakPolarHBondContact OE1-CE 3.32Å; E647-K815 IonicContact OE1-NZ 3Å; E647-K815 PolarHBondContact OE1-NZ 2.74Å; E647-K815 WeakPolarHBondContact OE2-CE 3.36Å; E647-K815 IonicContact OE2-NZ 2.66Å; E647-K815 PolarHBondContact OE2-NZ 3.27Å; E647-Y1021 WeakPolarHBondContact OE2-CE2 3.48Å; E647-Y1021 PolarHBondContact OE2-OH 3.26Å; E647-Y1021 VanDerWaalsContact OE2-OH 3.09Å
648	E	87.3	Confident	85.3	Confident	4 Å²	4	27.8 Å²	27.8	2%	0.019	13%	0.126	C	C	.	.	H	α-helix	trans	-65.4	-42.1	176.9	-74.1	174.7	-178.5	0	0	112.5	R644 S645 S652 T927 F928 R931	R644-E648 HydrophobicContact CG-CG 4.23Å; R644-E648 VanDerWaalsContact CG-OE1 3.3Å; R644-E648 WeakPolarHBondContact CG-OE1 3.45Å; R644-E648 IonicContact CZ-OE1 2.89Å; R644-E648 IonicContact NE-OE1 2.6Å; R644-E648 PolarHBondContact NE-OE1 2.92Å; R644-E648 IonicContact NH2-OE1 3.29Å; R644-E648 WeakPolarHBondContact O-CG 3.5Å; R644-E648 PolarHBondContact O-N 2.83Å; S645-E648 PolarHBondContact O-N 3.18Å; E648-S652 VanDerWaalsContact O-CB 3.3Å; E648-S652 WeakPolarHBondContact O-CB 3.43Å; E648-S652 PolarHBondContact O-N 3.19Å; E648-T927 WeakPolarHBondContact OE1-CB 3.44Å; E648-T927 PolarHBondContact OE1-OG1 2.92Å; E648-F928 HydrophobicContact CB-CB 4.22Å; E648-F928 PolarHBondContact OE2-N 3.15Å; E648-R931 IonicContact OE2-CZ 3.01Å; E648-R931 IonicContact OE2-NH2 2.88Å; E648-R931 PolarHBondContact OE2-NH2 2.85Å
649	V	91.3	Very high	85.8	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-62.5	-45.3	175.4	166.9	0	0	0	0	110.7	S645 V646 S652 F653 Q963 V966 V967 L970 Y996	S645-V649 WeakPolarHBondContact O-CG2 3.2Å; S645-V649 PolarHBondContact O-N 3.33Å; V646-V649 PolarHBondContact O-N 2.78Å; V649-S652 PolarHBondContact O-N 3.14Å; V649-F653 PolarHBondContact O-N 2.99Å; V649-Q963 HydrophobicContact CG2-CB 4.11Å; V649-Q963 HydrophobicContact CG2-CG 4.06Å; V649-V966 HydrophobicContact CG1-CB 4.4Å; V649-V966 HydrophobicContact CG1-CG1 3.76Å; V649-V967 HydrophobicContact CB-CG2 4.37Å; V649-V967 HydrophobicContact CG1-CG2 3.96Å; V649-V967 HydrophobicContact CG2-CG2 4.34Å; V649-L970 HydrophobicContact CG1-CD1 3.9Å; V649-Y996 HydrophobicContact CB-CD1 4.47Å; V649-Y996 HydrophobicContact CB-CE1 4.2Å; V649-Y996 HydrophobicContact CG2-CD1 4.32Å; V649-Y996 HydrophobicContact CG2-CE1 3.69Å
650	Y	89.7	Confident	86.4	Confident	2 Å²	2	26.3 Å²	26.3	1%	0.008	12%	0.118	C	C	.	.	H	α-helix	trans	-65.3	-45.2	178	173.7	-104.7	0	0	0	112.7	V646 E647 S652 F653 I654 E805 L808 T851 I993	V646-Y650 PolarHBondContact O-N 2.85Å; E647-Y650 PolarHBondContact O-N 3.37Å; Y650-S652 VanDerWaalsContact C-N 3.28Å; Y650-S652 PolarHBondContact O-N 3.44Å; Y650-F653 WeakPolarHBondContact O-CB 3.41Å; Y650-F653 PolarHBondContact O-N 3.23Å; Y650-I654 HydrophobicContact CD1-CD1 3.72Å; Y650-I654 HydrophobicContact CD2-CD1 4.39Å; Y650-I654 HydrophobicContact CE1-CD1 3.18Å; Y650-I654 HydrophobicContact CE1-CG1 4.3Å; Y650-I654 HydrophobicContact CE2-CD1 3.95Å; Y650-I654 HydrophobicContact CE2-CG1 4.29Å; Y650-I654 HydrophobicContact CG-CD1 4.32Å; Y650-I654 WeakPolarHBondContact O-CG1 2.99Å; Y650-I654 PolarHBondContact O-N 2.85Å; Y650-I654 WeakPolarHBondContact OH-CD1 3.26Å; Y650-E805 HydrophobicContact CE2-CG 4.32Å; Y650-E805 VanDerWaalsContact OH-CG 3.23Å; Y650-E805 WeakPolarHBondContact OH-CG 3.46Å; Y650-E805 PolarHBondContact OH-OE1 2.87Å; Y650-L808 HydrophobicContact CD1-CB 4.4Å; Y650-L808 HydrophobicContact CD1-CD1 3.4Å; Y650-L808 HydrophobicContact CD1-CG 4.49Å; Y650-L808 HydrophobicContact CD2-CD1 4Å; Y650-L808 HydrophobicContact CE1-CD1 3.94Å; Y650-L808 HydrophobicContact CE2-CD1 4.49Å; Y650-L808 HydrophobicContact CG-CD1 3.39Å; Y650-T851 HydrophobicContact CD1-CG2 4.11Å; Y650-T851 HydrophobicContact CE1-CG2 3.71Å; Y650-I993 HydrophobicContact CD2-CD1 3.68Å; Y650-I993 HydrophobicContact CE2-CD1 4.44Å
651	N	88.6	Confident	87.2	Confident	7 Å²	7	21.5 Å²	21.5	4%	0.037	10%	0.097	C	C	.	.	H	α-helix	trans	-63.5	-36.1	176	-70.2	-26.8	0	0	0	111.7	E647 I654 G655 T851 L926	E647-N651 WeakPolarHBondContact O-CB 3.37Å; E647-N651 PolarHBondContact O-N 3.48Å; E647-N651 PolarHBondContact O-ND2 3.49Å; E647-N651 PolarHBondContact OE1-ND2 3.31Å; N651-I654 PolarHBondContact O-N 2.87Å; N651-G655 PolarHBondContact O-N 3.44Å; N651-T851 WeakPolarHBondContact OD1-CB 3.32Å; N651-T851 PolarHBondContact OD1-OG1 3.36Å; N651-L926 HydrophobicContact CB-CD1 4.2Å; N651-L926 HydrophobicContact CB-CD2 3.7Å
652	S	90.5	Very high	87.7	Confident	0 Å²	0	16.3 Å²	16.3	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-64.5	-43.3	173.7	-168.6	0	0	0	0	111.6	E648 V649 Y650 G655 F656	E648-S652 VanDerWaalsContact O-CB 3.3Å; E648-S652 WeakPolarHBondContact O-CB 3.43Å; E648-S652 PolarHBondContact O-N 3.19Å; V649-S652 PolarHBondContact O-N 3.14Å; Y650-S652 VanDerWaalsContact C-N 3.28Å; Y650-S652 PolarHBondContact O-N 3.44Å; S652-G655 PolarHBondContact O-N 3.45Å; S652-F656 WeakPolarHBondContact O-CD2 3.35Å; S652-F656 PolarHBondContact O-N 3.44Å
653	F	91	Very high	88.2	Confident	2 Å²	2	17.2 Å²	17.2	1%	0.009	8%	0.078	C	C	.	.	H	α-helix	trans	-59.7	-46.9	175.7	168	-112.6	0	0	0	112	V649 Y650 G655 F656 F657 L970 N974 F989	V649-F653 PolarHBondContact O-N 2.99Å; Y650-F653 WeakPolarHBondContact O-CB 3.41Å; Y650-F653 PolarHBondContact O-N 3.23Å; F653-G655 VanDerWaalsContact C-N 3.32Å; F653-G655 PolarHBondContact O-N 3.34Å; F653-F656 PolarHBondContact O-N 3.27Å; F653-F657 WeakPolarHBondContact O-CB 3.44Å; F653-F657 PolarHBondContact O-N 3.44Å; F653-L970 HydrophobicContact CB-CB 4.45Å; F653-L970 HydrophobicContact CB-CD1 4.07Å; F653-L970 HydrophobicContact CD2-CB 3.51Å; F653-L970 HydrophobicContact CE2-CB 3.94Å; F653-L970 WeakPolarHBondContact CE2-O 3.36Å; F653-L970 HydrophobicContact CG-CB 4.1Å; F653-L970 HydrophobicContact CG-CD1 4.29Å; F653-N974 HydrophobicContact CE2-CB 4.11Å; F653-F989 AromaticContact CE1-CD2 3.83Å; F653-F989 HydrophobicContact CE1-CD2 3.83Å; F653-F989 HydrophobicContact CE1-CE2 4.28Å; F653-F989 HydrophobicContact CE1-CG 4.06Å; F653-F989 HydrophobicContact CZ-CB 4.38Å; F653-F989 HydrophobicContact CZ-CD1 4.39Å; F653-F989 HydrophobicContact CZ-CD2 4.33Å; F653-F989 HydrophobicContact CZ-CG 4.09Å
654	I	88.8	Confident	88.4	Confident	13 Å²	13	18 Å²	18	7%	0.067	8%	0.082	C	C	.	.	H	α-helix	trans	-61.6	-41.7	175.9	-65.7	163.3	0	0	0	111.3	Y650 N651 F656 F657 F658 V852	Y650-I654 HydrophobicContact CD1-CD1 3.72Å; Y650-I654 HydrophobicContact CD2-CD1 4.39Å; Y650-I654 HydrophobicContact CE1-CD1 3.18Å; Y650-I654 HydrophobicContact CE1-CG1 4.3Å; Y650-I654 HydrophobicContact CE2-CD1 3.95Å; Y650-I654 HydrophobicContact CE2-CG1 4.29Å; Y650-I654 HydrophobicContact CG-CD1 4.32Å; Y650-I654 WeakPolarHBondContact O-CG1 2.99Å; Y650-I654 PolarHBondContact O-N 2.85Å; Y650-I654 WeakPolarHBondContact OH-CD1 3.26Å; N651-I654 PolarHBondContact O-N 2.87Å; I654-F656 VanDerWaalsContact C-N 3.35Å; I654-F656 PolarHBondContact O-N 2.8Å; I654-F657 WeakPolarHBondContact O-CB 3.49Å; I654-F657 PolarHBondContact O-N 3.37Å; I654-F658 HydrophobicContact CG2-CD2 3.67Å; I654-F658 HydrophobicContact CG2-CE2 3.35Å; I654-F658 HydrophobicContact CG2-CZ 4.23Å; I654-F658 WeakPolarHBondContact O-CD2 3.37Å; I654-F658 PolarHBondContact O-N 2.98Å; I654-V852 HydrophobicContact CG2-CG2 4.45Å
655	G	88.8	Confident	88.5	Confident	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-57.3	-47.7	176.3	0	0	0	0	0	111.9	N651 S652 F653 F658 L659 G919	N651-G655 PolarHBondContact O-N 3.44Å; S652-G655 PolarHBondContact O-N 3.45Å; F653-G655 VanDerWaalsContact C-N 3.32Å; F653-G655 PolarHBondContact O-N 3.34Å; G655-F658 PolarHBondContact O-N 2.66Å; G655-L659 WeakPolarHBondContact O-CG 3.5Å; G655-L659 PolarHBondContact O-N 3.19Å; G655-G919 WeakPolarHBondContact O-CA 3.41Å
656	F	90.8	Very high	88.5	Confident	75 Å²	75	14.6 Å²	14.6	33%	0.329	7%	0.071	S	C	.	.	H	α-helix	trans	-67.1	-37.6	174.5	-77.2	-63.5	0	0	0	113.2	S652 F653 I654 F658 L659 L660 L923 V967 V971	S652-F656 WeakPolarHBondContact O-CD2 3.35Å; S652-F656 PolarHBondContact O-N 3.44Å; F653-F656 PolarHBondContact O-N 3.27Å; I654-F656 VanDerWaalsContact C-N 3.35Å; I654-F656 PolarHBondContact O-N 2.8Å; F656-F658 VanDerWaalsContact C-N 3.33Å; F656-F658 PolarHBondContact O-N 2.73Å; F656-L659 HydrophobicContact CD1-CD1 4.36Å; F656-L659 PolarHBondContact O-N 3Å; F656-L660 WeakPolarHBondContact O-CB 3.41Å; F656-L660 WeakPolarHBondContact O-CG 3.4Å; F656-L660 PolarHBondContact O-N 3.31Å; F656-L923 HydrophobicContact CD1-CD1 4.32Å; F656-L923 HydrophobicContact CD2-CD2 4.32Å; F656-L923 HydrophobicContact CE1-CD1 4.08Å; F656-L923 HydrophobicContact CE2-CD1 4.41Å; F656-L923 HydrophobicContact CE2-CD2 4.24Å; F656-L923 HydrophobicContact CZ-CD1 4.12Å; F656-V967 HydrophobicContact CD2-CG1 3.75Å; F656-V967 HydrophobicContact CE2-CG1 3.82Å; F656-V971 HydrophobicContact CB-CG2 3.7Å; F656-V971 HydrophobicContact CD2-CG2 4.06Å; F656-V971 HydrophobicContact CG-CG2 3.99Å
657	F	89.8	Confident	88.5	Confident	1 Å²	1	19.5 Å²	19.5	0%	0.004	9%	0.092	C	C	.	.	H	α-helix	trans	-55.9	-49	174.4	175.9	-79.8	0	0	0	110.7	F549 A592 Y595 I596 F653 I654 L659 L660 K661 N974	F549-F657 HydrophobicContact CE1-CE1 4.44Å; A592-F657 HydrophobicContact CB-CB 4.5Å; A592-F657 HydrophobicContact CB-CD1 3.25Å; A592-F657 HydrophobicContact CB-CD2 3.94Å; A592-F657 HydrophobicContact CB-CE1 3.27Å; A592-F657 HydrophobicContact CB-CE2 3.99Å; A592-F657 HydrophobicContact CB-CG 3.63Å; A592-F657 HydrophobicContact CB-CZ 3.67Å; Y595-F657 HydrophobicContact CD1-CZ 4.14Å; I596-F657 HydrophobicContact CD1-CD2 4.24Å; I596-F657 HydrophobicContact CD1-CE2 3.81Å; I596-F657 HydrophobicContact CG1-CE2 3.98Å; F653-F657 WeakPolarHBondContact O-CB 3.44Å; F653-F657 PolarHBondContact O-N 3.44Å; I654-F657 WeakPolarHBondContact O-CB 3.49Å; I654-F657 PolarHBondContact O-N 3.37Å; F657-L659 PolarHBondContact O-N 3.29Å; F657-L660 PolarHBondContact O-N 2.93Å; F657-K661 HydrophobicContact CE1-CB 4.23Å; F657-K661 HydrophobicContact CE1-CG 4.39Å; F657-K661 HydrophobicContact CZ-CD 4.49Å; F657-K661 HydrophobicContact CZ-CG 4.4Å; F657-K661 WeakPolarHBondContact O-CB 3.29Å; F657-K661 PolarHBondContact O-N 3.36Å; F657-N974 WeakPolarHBondContact CD2-ND2 3.34Å
658	F	88	Confident	88.4	Confident	18 Å²	18	25.7 Å²	25.7	8%	0.079	12%	0.124	C	C	.	.	H	α-helix	trans	-63.8	-42.2	179.5	-76.2	-52.2	0	0	0	112.8	F549 I654 G655 F656 A662 F915 M918	F549-F658 HydrophobicContact CE1-CE1 4.5Å; F549-F658 AromaticContact CE2-CE1 3.76Å; F549-F658 HydrophobicContact CE2-CE1 3.76Å; F549-F658 AromaticContact CE2-CZ 4Å; F549-F658 HydrophobicContact CE2-CZ 4Å; F549-F658 AromaticContact CZ-CE1 3.47Å; F549-F658 HydrophobicContact CZ-CE1 3.47Å; F549-F658 VanDerWaalsContact CZ-CE1 3.47Å; F549-F658 AromaticContact CZ-CZ 3.95Å; F549-F658 HydrophobicContact CZ-CZ 3.95Å; I654-F658 HydrophobicContact CG2-CD2 3.67Å; I654-F658 HydrophobicContact CG2-CE2 3.35Å; I654-F658 HydrophobicContact CG2-CZ 4.23Å; I654-F658 WeakPolarHBondContact O-CD2 3.37Å; I654-F658 PolarHBondContact O-N 2.98Å; G655-F658 PolarHBondContact O-N 2.66Å; F656-F658 VanDerWaalsContact C-N 3.33Å; F656-F658 PolarHBondContact O-N 2.73Å; F658-A662 VanDerWaalsContact O-CB 3.29Å; F658-A662 WeakPolarHBondContact O-CB 3.47Å; F658-A662 PolarHBondContact O-N 3.44Å; F658-A662 VanDerWaalsContact O-N 3.14Å; F658-F915 HydrophobicContact CD1-CD1 4.33Å; F658-F915 HydrophobicContact CD1-CD2 4.22Å; F658-F915 HydrophobicContact CD1-CE1 4.24Å; F658-F915 HydrophobicContact CD1-CE2 4.18Å; F658-F915 HydrophobicContact CD1-CG 4.28Å; F658-F915 HydrophobicContact CD1-CZ 4.17Å; F658-F915 HydrophobicContact CE1-CE1 4.1Å; F658-F915 HydrophobicContact CE1-CE2 4.45Å; F658-F915 HydrophobicContact CE1-CZ 4.03Å; F658-M918 HydrophobicContact CE1-CE 4.48Å
659	L	90.7	Very high	88.2	Confident	31 Å²	31	28 Å²	28	16%	0.162	14%	0.137	C	C	.	.	H	α-helix	trans	-61	-53.5	176.6	-70.9	173.4	0	0	0	111.3	G655 F656 F657 A662 L663 L916 V920 L923	G655-L659 WeakPolarHBondContact O-CG 3.5Å; G655-L659 PolarHBondContact O-N 3.19Å; F656-L659 HydrophobicContact CD1-CD1 4.36Å; F656-L659 PolarHBondContact O-N 3Å; F657-L659 PolarHBondContact O-N 3.29Å; L659-A662 PolarHBondContact O-N 3.09Å; L659-L663 WeakPolarHBondContact O-CB 3.41Å; L659-L663 VanDerWaalsContact O-CG 3.24Å; L659-L663 WeakPolarHBondContact O-CG 3.25Å; L659-L663 PolarHBondContact O-N 2.72Å; L659-L916 HydrophobicContact CD2-CD2 4.11Å; L659-V920 HydrophobicContact CD2-CG2 3.91Å; L659-L923 HydrophobicContact CD1-CD1 3.72Å
660	L	90.3	Very high	88	Confident	32 Å²	32	31.9 Å²	31.9	17%	0.168	16%	0.156	C	C	.	.	H	α-helix	trans	-66.7	-43.7	-176.2	-69	175.3	0	0	0	111.5	F656 F657 A662 L663 F664 V971 I975	F656-L660 WeakPolarHBondContact O-CB 3.41Å; F656-L660 WeakPolarHBondContact O-CG 3.4Å; F656-L660 PolarHBondContact O-N 3.31Å; F657-L660 PolarHBondContact O-N 2.93Å; L660-A662 VanDerWaalsContact C-N 3.31Å; L660-A662 PolarHBondContact O-N 3.34Å; L660-L663 PolarHBondContact O-N 2.95Å; L660-F664 HydrophobicContact CB-CD2 4.19Å; L660-F664 HydrophobicContact CB-CE2 3.79Å; L660-F664 HydrophobicContact CB-CZ 4.2Å; L660-F664 HydrophobicContact CD2-CE1 4.31Å; L660-F664 HydrophobicContact CD2-CE2 4.28Å; L660-F664 HydrophobicContact CD2-CZ 3.81Å; L660-F664 HydrophobicContact CG-CE2 4.43Å; L660-F664 HydrophobicContact CG-CZ 4.44Å; L660-F664 VanDerWaalsContact O-CB 3.31Å; L660-F664 WeakPolarHBondContact O-CB 3.44Å; L660-F664 VanDerWaalsContact O-CD2 3.29Å; L660-F664 WeakPolarHBondContact O-CD2 3.44Å; L660-F664 WeakPolarHBondContact O-CG 3.32Å; L660-F664 PolarHBondContact O-N 3.1Å; L660-V971 HydrophobicContact CD1-CG1 3.61Å; L660-I975 HydrophobicContact CD1-CD1 4.25Å; L660-I975 HydrophobicContact CD1-CG1 4.14Å
661	K	87.4	Confident	87.9	Confident	9 Å²	9	33.1 Å²	33.1	4%	0.039	17%	0.165	C	C	.	.	H	α-helix	trans	-61.9	-41.1	179.1	-164.4	67.5	175.7	176.2	0	111.6	F657 T665 D978	F657-K661 HydrophobicContact CE1-CB 4.23Å; F657-K661 HydrophobicContact CE1-CG 4.39Å; F657-K661 HydrophobicContact CZ-CD 4.49Å; F657-K661 HydrophobicContact CZ-CG 4.4Å; F657-K661 WeakPolarHBondContact O-CB 3.29Å; F657-K661 PolarHBondContact O-N 3.36Å; K661-T665 VanDerWaalsContact O-CB 3.28Å; K661-T665 WeakPolarHBondContact O-CB 3.4Å; K661-T665 PolarHBondContact O-N 3.22Å; K661-T665 PolarHBondContact O-OG1 3.39Å; K661-D978 WeakPolarHBondContact CD-OD2 3.45Å; K661-D978 VanDerWaalsContact NZ-CG 3.31Å; K661-D978 IonicContact NZ-OD1 3.22Å; K661-D978 PolarHBondContact NZ-OD1 3.42Å; K661-D978 IonicContact NZ-OD2 3.53Å; K661-D978 PolarHBondContact NZ-OD2 3.32Å
662	A	86.3	Confident	87.7	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65.9	-47.9	175.7	0	0	0	0	0	112.1	F658 L659 L660 M666 F915 L916	F658-A662 VanDerWaalsContact O-CB 3.29Å; F658-A662 WeakPolarHBondContact O-CB 3.47Å; F658-A662 PolarHBondContact O-N 3.44Å; F658-A662 VanDerWaalsContact O-N 3.14Å; L659-A662 PolarHBondContact O-N 3.09Å; L660-A662 VanDerWaalsContact C-N 3.31Å; L660-A662 PolarHBondContact O-N 3.34Å; A662-M666 HydrophobicContact CB-CE 3.9Å; A662-M666 WeakPolarHBondContact O-CB 3.39Å; A662-M666 WeakPolarHBondContact O-CE 3.4Å; A662-M666 VanDerWaalsContact O-CG 3.31Å; A662-M666 WeakPolarHBondContact O-CG 3.35Å; A662-M666 PolarHBondContact O-N 3.28Å; A662-F915 HydrophobicContact CB-CB 3.7Å; A662-L916 HydrophobicContact CB-CD2 3.96Å; A662-L916 HydrophobicContact CB-CG 4.04Å
663	L	89.6	Confident	87.5	Confident	49 Å²	49	45.1 Å²	45.1	26%	0.257	23%	0.233	S	C	.	.	H	α-helix	trans	-62.7	-49.5	179.2	-71.7	172.9	0	0	0	111.7	L659 L660 T665 M666 F667 L916	L659-L663 WeakPolarHBondContact O-CB 3.41Å; L659-L663 VanDerWaalsContact O-CG 3.24Å; L659-L663 WeakPolarHBondContact O-CG 3.25Å; L659-L663 PolarHBondContact O-N 2.72Å; L660-L663 PolarHBondContact O-N 2.95Å; L663-T665 PolarHBondContact O-N 3.43Å; L663-M666 PolarHBondContact O-N 3.48Å; L663-F667 HydrophobicContact CB-CD2 4.3Å; L663-F667 HydrophobicContact CB-CE2 4.14Å; L663-F667 HydrophobicContact CD2-CE2 4.25Å; L663-F667 WeakPolarHBondContact O-CD2 3.39Å; L663-F667 WeakPolarHBondContact O-CG 3.43Å; L663-F667 PolarHBondContact O-N 3.08Å; L663-L916 HydrophobicContact CD2-CD2 3.95Å; L663-L916 HydrophobicContact CG-CD2 3.9Å
664	F	87.1	Confident	87.1	Confident	39 Å²	39	46.7 Å²	46.7	17%	0.171	24%	0.243	C	C	.	.	H	α-helix	trans	-62	-44.5	179.1	-64	-26.9	0	0	0	111.5	L660 M666 F667 L668 I975 F979	L660-F664 HydrophobicContact CB-CD2 4.19Å; L660-F664 HydrophobicContact CB-CE2 3.79Å; L660-F664 HydrophobicContact CB-CZ 4.2Å; L660-F664 HydrophobicContact CD2-CE1 4.31Å; L660-F664 HydrophobicContact CD2-CE2 4.28Å; L660-F664 HydrophobicContact CD2-CZ 3.81Å; L660-F664 HydrophobicContact CG-CE2 4.43Å; L660-F664 HydrophobicContact CG-CZ 4.44Å; L660-F664 VanDerWaalsContact O-CB 3.31Å; L660-F664 WeakPolarHBondContact O-CB 3.44Å; L660-F664 VanDerWaalsContact O-CD2 3.29Å; L660-F664 WeakPolarHBondContact O-CD2 3.44Å; L660-F664 WeakPolarHBondContact O-CG 3.32Å; L660-F664 PolarHBondContact O-N 3.1Å; F664-M666 VanDerWaalsContact C-N 3.33Å; F664-M666 PolarHBondContact O-N 3.41Å; F664-F667 PolarHBondContact O-N 3.15Å; F664-L668 VanDerWaalsContact O-CB 3.32Å; F664-L668 WeakPolarHBondContact O-CB 3.4Å; F664-L668 WeakPolarHBondContact O-CD1 3.17Å; F664-L668 WeakPolarHBondContact O-CG 3.24Å; F664-L668 PolarHBondContact O-N 2.94Å; F664-I975 HydrophobicContact CE2-CG1 4.15Å; F664-I975 HydrophobicContact CZ-CG1 4.14Å; F664-F979 HydrophobicContact CD1-CE2 4.13Å; F664-F979 AromaticContact CD1-CZ 3.87Å; F664-F979 HydrophobicContact CD1-CZ 3.87Å; F664-F979 AromaticContact CD2-CE2 3.84Å; F664-F979 HydrophobicContact CD2-CE2 3.84Å; F664-F979 HydrophobicContact CD2-CZ 4.16Å; F664-F979 AromaticContact CE1-CE2 3.93Å; F664-F979 HydrophobicContact CE1-CE2 3.93Å; F664-F979 HydrophobicContact CE1-CZ 4.02Å; F664-F979 AromaticContact CE2-CE2 3.62Å; F664-F979 HydrophobicContact CE2-CE2 3.62Å; F664-F979 HydrophobicContact CE2-CZ 4.3Å; F664-F979 HydrophobicContact CG-CE2 4.1Å; F664-F979 AromaticContact CG-CZ 3.96Å; F664-F979 HydrophobicContact CG-CZ 3.96Å; F664-F979 AromaticContact CZ-CE2 3.67Å; F664-F979 HydrophobicContact CZ-CE2 3.67Å; F664-F979 HydrophobicContact CZ-CZ 4.23Å
665	T	83	Confident	86.8	Confident	13 Å²	13	55.9 Å²	55.9	8%	0.08	28%	0.283	C	S	.	.	H	α-helix	trans	-60.4	-44.9	176.1	-52.6	0	0	0	0	110.6	K661 L663 F667 L668 L669 Y912	K661-T665 VanDerWaalsContact O-CB 3.28Å; K661-T665 WeakPolarHBondContact O-CB 3.4Å; K661-T665 PolarHBondContact O-N 3.22Å; K661-T665 PolarHBondContact O-OG1 3.39Å; L663-T665 PolarHBondContact O-N 3.43Å; T665-F667 PolarHBondContact O-N 3.11Å; T665-L668 PolarHBondContact O-N 3.44Å; T665-L669 HydrophobicContact CG2-CD1 4.29Å; T665-L669 WeakPolarHBondContact O-CD1 3.28Å; T665-L669 PolarHBondContact O-N 3.45Å; T665-Y912 HydrophobicContact CG2-CE1 3.57Å; T665-Y912 VanDerWaalsContact CG2-OH 3.31Å; T665-Y912 WeakPolarHBondContact CG2-OH 3.4Å
666	M	86	Confident	86.4	Confident	4 Å²	4	61.3 Å²	61.3	2%	0.02	31%	0.312	C	S	.	.	H	α-helix	trans	-63.7	-40	177	-75.1	-173	-101.9	0	0	113.6	A662 L663 F664 L669 A699 Y912 L916	A662-M666 HydrophobicContact CB-CE 3.9Å; A662-M666 WeakPolarHBondContact O-CB 3.39Å; A662-M666 WeakPolarHBondContact O-CE 3.4Å; A662-M666 VanDerWaalsContact O-CG 3.31Å; A662-M666 WeakPolarHBondContact O-CG 3.35Å; A662-M666 PolarHBondContact O-N 3.28Å; L663-M666 PolarHBondContact O-N 3.48Å; F664-M666 VanDerWaalsContact C-N 3.33Å; F664-M666 PolarHBondContact O-N 3.41Å; M666-L669 WeakPolarHBondContact O-CB 3.45Å; M666-L669 PolarHBondContact O-N 3.45Å; M666-A699 HydrophobicContact CE-CB 4.12Å; M666-A699 HydrophobicContact SD-CB 3.48Å; M666-A699 WeakPolarHBondContact SD-CB 3.3Å; M666-Y912 HydrophobicContact CE-CG 4.46Å; M666-Y912 HydrophobicContact CG-CD2 3.86Å; M666-Y912 HydrophobicContact CG-CG 4Å; M666-Y912 HydrophobicContact SD-CG 4.47Å; M666-L916 HydrophobicContact CE-CD1 3.51Å; M666-L916 HydrophobicContact CE-CD2 4.32Å; M666-L916 HydrophobicContact CE-CG 3.79Å
667	F	86.8	Confident	85.9	Confident	111 Å²	111	63.6 Å²	63.6	49%	0.487	33%	0.328	S	S	.	.	H	α-helix	trans	-71.4	-31.8	176.8	-71.2	-54.6	0	0	0	112.5	L663 F664 T665 L669 I670 L696	L663-F667 HydrophobicContact CB-CD2 4.3Å; L663-F667 HydrophobicContact CB-CE2 4.14Å; L663-F667 HydrophobicContact CD2-CE2 4.25Å; L663-F667 WeakPolarHBondContact O-CD2 3.39Å; L663-F667 WeakPolarHBondContact O-CG 3.43Å; L663-F667 PolarHBondContact O-N 3.08Å; F664-F667 PolarHBondContact O-N 3.15Å; T665-F667 PolarHBondContact O-N 3.11Å; F667-L669 PolarHBondContact O-N 3.02Å; F667-I670 HydrophobicContact CD1-CD1 3.93Å; F667-I670 WeakPolarHBondContact O-CB 3.46Å; F667-I670 WeakPolarHBondContact O-CG1 3.49Å; F667-I670 PolarHBondContact O-N 3.5Å; F667-I670 VanDerWaalsContact O-N 3.09Å; F667-L696 HydrophobicContact CE1-CD1 4.33Å
668	L	84.4	Confident	85.7	Confident	129 Å²	129	67 Å²	67	68%	0.675	35%	0.349	S	S	*	.	H	α-helix	trans	-66.7	-20.3	174.2	-74.7	166.3	0	0	0	113	F664 T665 I670	F664-L668 VanDerWaalsContact O-CB 3.32Å; F664-L668 WeakPolarHBondContact O-CB 3.4Å; F664-L668 WeakPolarHBondContact O-CD1 3.17Å; F664-L668 WeakPolarHBondContact O-CG 3.24Å; F664-L668 PolarHBondContact O-N 2.94Å; T665-L668 PolarHBondContact O-N 3.44Å; L668-I670 PolarHBondContact O-N 3.03Å
669	L	83.1	Confident	85.7	Confident	54 Å²	54	70.9 Å²	70.9	28%	0.283	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-18.2	171.8	-88.6	76.9	0	0	0	112.6	T665 M666 F667 P671 A692 T695	T665-L669 HydrophobicContact CG2-CD1 4.29Å; T665-L669 WeakPolarHBondContact O-CD1 3.28Å; T665-L669 PolarHBondContact O-N 3.45Å; M666-L669 WeakPolarHBondContact O-CB 3.45Å; M666-L669 PolarHBondContact O-N 3.45Å; F667-L669 PolarHBondContact O-N 3.02Å; L669-P671 WeakPolarHBondContact O-CD 3.02Å; L669-A692 HydrophobicContact CB-CB 4.08Å; L669-T695 HydrophobicContact CD2-CG2 4.25Å
670	I	88.2	Confident	85.4	Confident	80 Å²	80	76.5 Å²	76.5	41%	0.41	40%	0.403	S	S	.	.	S	Bend	trans	-73.7	117.6	-178.8	-58.4	175.7	0	0	0	109.1	F667 L668 L689 A692	F667-I670 HydrophobicContact CD1-CD1 3.93Å; F667-I670 WeakPolarHBondContact O-CB 3.46Å; F667-I670 WeakPolarHBondContact O-CG1 3.49Å; F667-I670 PolarHBondContact O-N 3.5Å; F667-I670 VanDerWaalsContact O-N 3.09Å; L668-I670 PolarHBondContact O-N 3.03Å; I670-L689 HydrophobicContact CG2-CD1 3.96Å; I670-A692 HydrophobicContact CG1-CB 4.3Å
671	P	86.7	Confident	85.2	Confident	28 Å²	28	76.3 Å²	76.3	18%	0.182	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-69.5	143.4	-178.4	29.5	-35.6	0	0	0	111.5	L669 Y685 K688 L689	L669-P671 WeakPolarHBondContact O-CD 3.02Å; P671-Y685 HydrophobicContact CB-CD2 4.04Å; P671-Y685 HydrophobicContact CB-CE2 4.22Å; P671-Y685 HydrophobicContact CG-CD2 3.85Å; P671-Y685 HydrophobicContact CG-CE2 3.87Å; P671-Y685 WeakPolarHBondContact O-CE2 3.48Å; P671-K688 HydrophobicContact CB-CB 4.24Å; P671-K688 HydrophobicContact CG-CB 3.87Å; P671-L689 HydrophobicContact CG-CB 4.1Å
672	A	84.8	Confident	85.2	Confident	88 Å²	88	81.8 Å²	81.8	73%	0.727	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-67.2	148.7	167.1	0	0	0	0	0	110.8	Y685	A672-Y685 WeakPolarHBondContact O-CD2 3.49Å; A672-Y685 WeakPolarHBondContact O-CE2 3.49Å
673	K	84.8	Confident	85.2	Confident	172 Å²	172	88 Å²	88	75%	0.748	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-56.6	129.5	177.1	-172.3	178.3	179.1	179.9	0	109.4	K675	K673-K675 PolarHBondContact O-N 3.14Å
674	P	83.4	Confident	85.1	Confident	34 Å²	34	87.7 Å²	87.7	22%	0.221	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-62.5	139.3	-179.1	26.3	-34.4	0	0	0	109.9	D676 Y685	P674-D676 VanDerWaalsContact C-N 3.31Å; P674-Y685 HydrophobicContact CG-CG 4.25Å
675	K	81.7	Confident	85.2	Confident	207 Å²	207	88.5 Å²	88.5	90%	0.9	46%	0.462	S	S	*	.	S	Bend	trans	-69.6	-33.5	172.6	-69.1	-175.4	178.5	-178.9	0	111.3	K673	K673-K675 PolarHBondContact O-N 3.14Å
676	D	81.6	Confident	85.5	Confident	113 Å²	113	95 Å²	95	60%	0.604	49%	0.486	S	S	*	.	S	Bend	trans	-91.8	128.9	-179.2	-55.7	-26.4	0	0	0	110.7	P674 T678 S681	P674-D676 VanDerWaalsContact C-N 3.31Å; D676-T678 VanDerWaalsContact C-N 3.27Å; D676-T678 PolarHBondContact O-N 3.44Å; D676-S681 PolarHBondContact O-OG 3.09Å
677	N	79.5	Confident	85.6	Confident	124 Å²	124	100.2 Å²	100.2	66%	0.663	51%	0.51	S	S	*	.			trans	-87.5	22.8	-178.3	-73.5	-25	0	0	0	114	R682	N677-R682 PolarHBondContact O-NE 3.28Å
678	T	87.1	Confident	85.7	Confident	73 Å²	73	101.5 Å²	101.5	45%	0.448	52%	0.515	S	S	.	.			trans	-64.5	148.3	178.2	65.6	0	0	0	0	110.8	D676 M680 S681 R682	D676-T678 VanDerWaalsContact C-N 3.27Å; D676-T678 PolarHBondContact O-N 3.44Å; T678-M680 PolarHBondContact O-N 3.18Å; T678-S681 PolarHBondContact N-OG 3.28Å; T678-S681 PolarHBondContact O-N 3.26Å; T678-S681 PolarHBondContact O-OG 3.48Å; T678-S681 WeakPolarHBondContact OG1-CB 3.21Å; T678-S681 PolarHBondContact OG1-N 3.29Å; T678-S681 PolarHBondContact OG1-OG 3.23Å; T678-S681 VanDerWaalsContact OG1-OG 3.07Å; T678-R682 WeakPolarHBondContact O-CG 3.45Å; T678-R682 PolarHBondContact O-N 3.11Å; T678-R682 VanDerWaalsContact O-N 3.13Å
679	P	86.2	Confident	86.1	Confident	99 Å²	99	98.1 Å²	98.1	64%	0.643	50%	0.498	S	S	*	.	H	α-helix	trans	-59.3	-33.3	177.3	23.3	-32.7	0	0	0	111.7	M683	P679-M683 WeakPolarHBondContact O-CB 3.45Å; P679-M683 PolarHBondContact O-N 3.33Å
680	M	86.2	Confident	86.5	Confident	149 Å²	149	97.1 Å²	97.1	73%	0.734	50%	0.497	S	S	*	.	H	α-helix	trans	-68.9	-44.9	178.6	-168.4	-179.7	-68.6	0	0	112.7	T678 R682 M683 A684	T678-M680 PolarHBondContact O-N 3.18Å; M680-R682 VanDerWaalsContact C-N 3.32Å; M680-R682 PolarHBondContact O-N 3.3Å; M680-M683 PolarHBondContact O-N 3.06Å; M680-A684 WeakPolarHBondContact O-CB 3.32Å; M680-A684 PolarHBondContact O-N 2.93Å
681	S	86.2	Confident	86.6	Confident	27 Å²	27	94.6 Å²	94.6	19%	0.189	49%	0.485	C	S	.	.	H	α-helix	trans	-64.3	-38.3	176.5	66	0	0	0	0	111.5	D676 T678 Y685	D676-S681 PolarHBondContact O-OG 3.09Å; T678-S681 PolarHBondContact N-OG 3.28Å; T678-S681 PolarHBondContact O-N 3.26Å; T678-S681 PolarHBondContact O-OG 3.48Å; T678-S681 WeakPolarHBondContact OG1-CB 3.21Å; T678-S681 PolarHBondContact OG1-N 3.29Å; T678-S681 PolarHBondContact OG1-OG 3.23Å; T678-S681 VanDerWaalsContact OG1-OG 3.07Å; S681-Y685 VanDerWaalsContact O-CB 3.27Å; S681-Y685 WeakPolarHBondContact O-CB 3.34Å; S681-Y685 PolarHBondContact O-N 3.04Å
682	R	86.5	Confident	86.8	Confident	125 Å²	125	93.5 Å²	93.5	47%	0.472	48%	0.479	S	S	.	.	H	α-helix	trans	-63.4	-46.2	175	-74.3	-171.6	-73.9	157.2	-3.8	111.7	N677 T678 M680 Y685 Y686	N677-R682 PolarHBondContact O-NE 3.28Å; T678-R682 WeakPolarHBondContact O-CG 3.45Å; T678-R682 PolarHBondContact O-N 3.11Å; T678-R682 VanDerWaalsContact O-N 3.13Å; M680-R682 VanDerWaalsContact C-N 3.32Å; M680-R682 PolarHBondContact O-N 3.3Å; R682-Y685 WeakPolarHBondContact O-CB 3.26Å; R682-Y685 PolarHBondContact O-N 2.89Å; R682-Y686 HydrophobicContact CB-CE2 4.31Å; R682-Y686 WeakPolarHBondContact O-CD2 3.43Å; R682-Y686 PolarHBondContact O-N 3.41Å
683	M	86.5	Confident	87.2	Confident	131 Å²	131	91.2 Å²	91.2	65%	0.645	46%	0.464	S	S	*	.	H	α-helix	trans	-62.1	-45.6	178.1	-168.9	172.6	77.9	0	0	111.6	P679 M680 Y685 Y686 Q687	P679-M683 WeakPolarHBondContact O-CB 3.45Å; P679-M683 PolarHBondContact O-N 3.33Å; M680-M683 PolarHBondContact O-N 3.06Å; M683-Y685 VanDerWaalsContact C-N 3.33Å; M683-Y685 PolarHBondContact O-N 3.21Å; M683-Y686 PolarHBondContact O-N 3.03Å; M683-Q687 WeakPolarHBondContact O-CB 3.49Å; M683-Q687 PolarHBondContact O-N 3.03Å
684	A	86.7	Confident	87.5	Confident	42 Å²	42	83.6 Å²	83.6	35%	0.347	43%	0.432	S	S	.	.	H	α-helix	trans	-63.1	-38.2	176.2	0	0	0	0	0	112.5	M680 K688	M680-A684 WeakPolarHBondContact O-CB 3.32Å; M680-A684 PolarHBondContact O-N 2.93Å; A684-K688 WeakPolarHBondContact O-CB 3.42Å; A684-K688 WeakPolarHBondContact O-CG 3.5Å; A684-K688 PolarHBondContact O-N 3.38Å
685	Y	89.1	Confident	87.9	Confident	56 Å²	56	82 Å²	82	22%	0.22	42%	0.422	C	S	.	.	H	α-helix	trans	-61.4	-51.4	174.1	170.5	-101.3	0	0	0	111.7	P671 A672 P674 S681 R682 M683 Q687 K688 L689	P671-Y685 HydrophobicContact CB-CD2 4.04Å; P671-Y685 HydrophobicContact CB-CE2 4.22Å; P671-Y685 HydrophobicContact CG-CD2 3.85Å; P671-Y685 HydrophobicContact CG-CE2 3.87Å; P671-Y685 WeakPolarHBondContact O-CE2 3.48Å; A672-Y685 WeakPolarHBondContact O-CD2 3.49Å; A672-Y685 WeakPolarHBondContact O-CE2 3.49Å; P674-Y685 HydrophobicContact CG-CG 4.25Å; S681-Y685 VanDerWaalsContact O-CB 3.27Å; S681-Y685 WeakPolarHBondContact O-CB 3.34Å; S681-Y685 PolarHBondContact O-N 3.04Å; R682-Y685 WeakPolarHBondContact O-CB 3.26Å; R682-Y685 PolarHBondContact O-N 2.89Å; M683-Y685 VanDerWaalsContact C-N 3.33Å; M683-Y685 PolarHBondContact O-N 3.21Å; Y685-Q687 VanDerWaalsContact C-N 3.32Å; Y685-Q687 PolarHBondContact O-N 3.41Å; Y685-K688 PolarHBondContact O-N 2.97Å; Y685-L689 HydrophobicContact CE1-CD2 4.15Å; Y685-L689 VanDerWaalsContact O-CB 3.26Å; Y685-L689 WeakPolarHBondContact O-CB 3.35Å; Y685-L689 PolarHBondContact O-N 3.5Å
686	Y	89.9	Confident	88.4	Confident	150 Å²	150	74.6 Å²	74.6	59%	0.588	39%	0.391	S	S	*	.	H	α-helix	trans	-63.8	-37	178.8	-71.5	-59.9	0	0	0	112.4	R682 M683 L689 A690	R682-Y686 HydrophobicContact CB-CE2 4.31Å; R682-Y686 WeakPolarHBondContact O-CD2 3.43Å; R682-Y686 PolarHBondContact O-N 3.41Å; M683-Y686 PolarHBondContact O-N 3.03Å; Y686-L689 PolarHBondContact O-N 3.15Å; Y686-A690 WeakPolarHBondContact O-CB 3.48Å; Y686-A690 PolarHBondContact O-N 2.93Å
687	Q	89.2	Confident	89	Confident	112 Å²	112	74.3 Å²	74.3	52%	0.523	39%	0.385	S	S	.	.	H	α-helix	trans	-64.6	-48.6	175.5	-174.1	178.2	-3.1	0	0	111.6	M683 Y685 L689 A690 V691	M683-Q687 WeakPolarHBondContact O-CB 3.49Å; M683-Q687 PolarHBondContact O-N 3.03Å; Y685-Q687 VanDerWaalsContact C-N 3.32Å; Y685-Q687 PolarHBondContact O-N 3.41Å; Q687-L689 VanDerWaalsContact C-N 3.32Å; Q687-L689 PolarHBondContact O-N 2.9Å; Q687-A690 PolarHBondContact O-N 3.47Å; Q687-V691 WeakPolarHBondContact O-CG2 3.26Å; Q687-V691 PolarHBondContact O-N 3.48Å
688	K	88.6	Confident	89.7	Confident	138 Å²	138	68.4 Å²	68.4	60%	0.6	35%	0.353	S	S	*	.	H	α-helix	trans	-62.1	-40.1	176	-74.9	-177.1	179.6	-176.2	0	112	P671 A684 Y685 A690 V691 A692	P671-K688 HydrophobicContact CB-CB 4.24Å; P671-K688 HydrophobicContact CG-CB 3.87Å; A684-K688 WeakPolarHBondContact O-CB 3.42Å; A684-K688 WeakPolarHBondContact O-CG 3.5Å; A684-K688 PolarHBondContact O-N 3.38Å; Y685-K688 PolarHBondContact O-N 2.97Å; K688-A690 VanDerWaalsContact C-N 3.35Å; K688-V691 PolarHBondContact O-N 3.18Å; K688-A692 WeakPolarHBondContact O-CB 3.27Å; K688-A692 PolarHBondContact O-N 3.5Å
689	L	91.3	Very high	90	Very high	58 Å²	58	65 Å²	65	30%	0.304	33%	0.332	S	S	.	.	H	α-helix	trans	-63.3	-41.3	176.4	-175	65.4	0	0	0	111.5	I670 P671 Y685 Y686 Q687 A692 G693	I670-L689 HydrophobicContact CG2-CD1 3.96Å; P671-L689 HydrophobicContact CG-CB 4.1Å; Y685-L689 HydrophobicContact CE1-CD2 4.15Å; Y685-L689 VanDerWaalsContact O-CB 3.26Å; Y685-L689 WeakPolarHBondContact O-CB 3.35Å; Y685-L689 PolarHBondContact O-N 3.5Å; Y686-L689 PolarHBondContact O-N 3.15Å; Q687-L689 VanDerWaalsContact C-N 3.32Å; Q687-L689 PolarHBondContact O-N 2.9Å; L689-A692 PolarHBondContact O-N 3.32Å; L689-G693 PolarHBondContact O-N 2.84Å
690	A	91.9	Very high	90.4	Very high	33 Å²	33	64.2 Å²	64.2	27%	0.273	32%	0.319	S	S	.	.	H	α-helix	trans	-65.6	-43.2	176.2	0	0	0	0	0	111.9	Y686 Q687 K688 A692 G693 V694 Y749	Y686-A690 WeakPolarHBondContact O-CB 3.48Å; Y686-A690 PolarHBondContact O-N 2.93Å; Q687-A690 PolarHBondContact O-N 3.47Å; K688-A690 VanDerWaalsContact C-N 3.35Å; A690-A692 VanDerWaalsContact C-N 3.34Å; A690-A692 PolarHBondContact O-N 3.19Å; A690-G693 PolarHBondContact O-N 2.95Å; A690-V694 VanDerWaalsContact O-CG2 3.3Å; A690-V694 WeakPolarHBondContact O-CG2 3.48Å; A690-V694 PolarHBondContact O-N 3.48Å; A690-Y749 HydrophobicContact CB-CD1 3.97Å; A690-Y749 HydrophobicContact CB-CE1 3.59Å
691	V	91.1	Very high	90.8	Very high	27 Å²	27	59.3 Å²	59.3	16%	0.164	30%	0.295	C	S	.	.	H	α-helix	trans	-58.6	-46.5	173.7	174.5	0	0	0	0	110.7	Q687 K688 G693 V694 T695 Y749	Q687-V691 WeakPolarHBondContact O-CG2 3.26Å; Q687-V691 PolarHBondContact O-N 3.48Å; K688-V691 PolarHBondContact O-N 3.18Å; V691-G693 PolarHBondContact O-N 3.07Å; V691-V694 PolarHBondContact O-N 3.35Å; V691-T695 HydrophobicContact CG1-CG2 4.3Å; V691-T695 WeakPolarHBondContact O-CG2 3.38Å; V691-T695 PolarHBondContact O-N 2.92Å; V691-T695 PolarHBondContact O-OG1 3.41Å; V691-Y749 WeakPolarHBondContact CG2-O 3.36Å
692	A	90.6	Very high	91.2	Very high	5 Å²	5	58 Å²	58	4%	0.041	29%	0.286	C	S	.	.	H	α-helix	trans	-59.7	-46.2	176.1	0	0	0	0	0	111.7	L669 I670 K688 L689 A690 V694 T695 L696	L669-A692 HydrophobicContact CB-CB 4.08Å; I670-A692 HydrophobicContact CG1-CB 4.3Å; K688-A692 WeakPolarHBondContact O-CB 3.27Å; K688-A692 PolarHBondContact O-N 3.5Å; L689-A692 PolarHBondContact O-N 3.32Å; A690-A692 VanDerWaalsContact C-N 3.34Å; A690-A692 PolarHBondContact O-N 3.19Å; A692-V694 PolarHBondContact O-N 2.94Å; A692-T695 WeakPolarHBondContact CA-OG1 3.46Å; A692-T695 PolarHBondContact O-N 3.25Å; A692-T695 PolarHBondContact O-OG1 3.49Å; A692-L696 WeakPolarHBondContact O-CB 3.33Å; A692-L696 PolarHBondContact O-N 3.45Å
693	G	92.2	Very high	91.5	Very high	40 Å²	40	52.9 Å²	52.9	41%	0.412	27%	0.268	S	S	.	.	H	α-helix	trans	-59.5	-45.4	176.8	0	0	0	0	0	113.2	L689 A690 V691 L696 F697	L689-G693 PolarHBondContact O-N 2.84Å; A690-G693 PolarHBondContact O-N 2.95Å; V691-G693 PolarHBondContact O-N 3.07Å; G693-L696 PolarHBondContact O-N 3.41Å; G693-F697 WeakPolarHBondContact O-CB 3.43Å; G693-F697 PolarHBondContact O-N 2.87Å
694	V	92.8	Very high	91.9	Very high	13 Å²	13	51.7 Å²	51.7	8%	0.079	26%	0.261	C	S	.	.	H	α-helix	trans	-66.5	-41.5	177.6	178.3	0	0	0	0	111.1	A690 V691 A692 L696 F697 L698 F746 Y749 L751	A690-V694 VanDerWaalsContact O-CG2 3.3Å; A690-V694 WeakPolarHBondContact O-CG2 3.48Å; A690-V694 PolarHBondContact O-N 3.48Å; V691-V694 PolarHBondContact O-N 3.35Å; A692-V694 PolarHBondContact O-N 2.94Å; V694-L696 VanDerWaalsContact C-N 3.34Å; V694-L696 PolarHBondContact O-N 2.87Å; V694-F697 PolarHBondContact O-N 3.36Å; V694-L698 HydrophobicContact CG1-CD1 3.94Å; V694-L698 HydrophobicContact CG1-CG 4.23Å; V694-L698 WeakPolarHBondContact O-CB 3.4Å; V694-L698 WeakPolarHBondContact O-CG 3.44Å; V694-L698 PolarHBondContact O-N 3.24Å; V694-F746 HydrophobicContact CB-CD1 4.35Å; V694-F746 HydrophobicContact CG1-CB 3.9Å; V694-F746 HydrophobicContact CG1-CD1 3.52Å; V694-F746 HydrophobicContact CG1-CD2 4.05Å; V694-F746 HydrophobicContact CG1-CE1 4.01Å; V694-F746 HydrophobicContact CG1-CE2 4.48Å; V694-F746 HydrophobicContact CG1-CG 3.54Å; V694-F746 HydrophobicContact CG1-CZ 4.46Å; V694-F746 HydrophobicContact CG2-CD1 3.75Å; V694-F746 HydrophobicContact CG2-CE1 3.98Å; V694-Y749 HydrophobicContact CG2-CD2 4.08Å; V694-Y749 HydrophobicContact CG2-CE2 4.17Å; V694-Y749 HydrophobicContact CG2-CG 4.27Å; V694-L751 HydrophobicContact CG1-CD1 3.96Å; V694-L751 HydrophobicContact CG1-CD2 4.05Å
695	T	91.3	Very high	92.2	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.006	26%	0.256	C	S	.	.	H	α-helix	trans	-61.5	-42.5	177.2	60.5	0	0	0	0	112.1	L669 V691 A692 A699 L751 A909	L669-T695 HydrophobicContact CD2-CG2 4.25Å; V691-T695 HydrophobicContact CG1-CG2 4.3Å; V691-T695 WeakPolarHBondContact O-CG2 3.38Å; V691-T695 PolarHBondContact O-N 2.92Å; V691-T695 PolarHBondContact O-OG1 3.41Å; A692-T695 WeakPolarHBondContact CA-OG1 3.46Å; A692-T695 PolarHBondContact O-N 3.25Å; A692-T695 PolarHBondContact O-OG1 3.49Å; T695-A699 VanDerWaalsContact O-CB 3.26Å; T695-A699 WeakPolarHBondContact O-CB 3.38Å; T695-A699 PolarHBondContact O-N 3.38Å; T695-L751 HydrophobicContact CG2-CD2 3.69Å; T695-L751 HydrophobicContact CG2-CG 4.11Å; T695-A909 HydrophobicContact CG2-CB 4.44Å; T695-A909 WeakPolarHBondContact O-CB 3.25Å
696	L	92.3	Very high	92.3	Very high	50 Å²	50	49.7 Å²	49.7	26%	0.262	25%	0.246	S	C	.	.	H	α-helix	trans	-64.5	-46.3	176.1	-177.7	147.8	0	0	0	110.9	F667 A692 G693 V694 L698 A699 F700	F667-L696 HydrophobicContact CE1-CD1 4.33Å; A692-L696 WeakPolarHBondContact O-CB 3.33Å; A692-L696 PolarHBondContact O-N 3.45Å; G693-L696 PolarHBondContact O-N 3.41Å; V694-L696 VanDerWaalsContact C-N 3.34Å; V694-L696 PolarHBondContact O-N 2.87Å; L696-L698 PolarHBondContact O-N 3.29Å; L696-A699 PolarHBondContact O-N 2.88Å; L696-F700 HydrophobicContact CD1-CE2 4.26Å; L696-F700 HydrophobicContact CD2-CD2 3.51Å; L696-F700 HydrophobicContact CD2-CE2 3.58Å; L696-F700 HydrophobicContact CG-CD2 3.83Å; L696-F700 HydrophobicContact CG-CE2 3.69Å; L696-F700 VanDerWaalsContact O-CD2 3.25Å; L696-F700 WeakPolarHBondContact O-CD2 3.32Å; L696-F700 PolarHBondContact O-N 3.45Å
697	F	94	Very high	92.3	Very high	108 Å²	108	44.2 Å²	44.2	47%	0.474	23%	0.226	S	C	.	.	H	α-helix	trans	-58.7	-49.6	178.4	179.6	-110.1	0	0	0	112.2	G693 V694 A699 F700 I701 F746	G693-F697 WeakPolarHBondContact O-CB 3.43Å; G693-F697 PolarHBondContact O-N 2.87Å; V694-F697 PolarHBondContact O-N 3.36Å; F697-A699 PolarHBondContact O-N 2.88Å; F697-F700 PolarHBondContact O-N 3.47Å; F697-I701 HydrophobicContact CD1-CD1 3.78Å; F697-I701 HydrophobicContact CD2-CD1 4.47Å; F697-I701 HydrophobicContact CE1-CD1 3.3Å; F697-I701 HydrophobicContact CE1-CG1 4.46Å; F697-I701 HydrophobicContact CE2-CD1 4.06Å; F697-I701 HydrophobicContact CG-CD1 4.36Å; F697-I701 HydrophobicContact CZ-CD1 3.47Å; F697-I701 VanDerWaalsContact CZ-CD1 3.47Å; F697-I701 HydrophobicContact CZ-CG1 4.39Å; F697-I701 WeakPolarHBondContact O-CG1 3.46Å; F697-I701 PolarHBondContact O-N 3.47Å; F697-F746 HydrophobicContact CD1-CE2 4.36Å; F697-F746 HydrophobicContact CD1-CZ 4.02Å; F697-F746 HydrophobicContact CE1-CE2 4.33Å; F697-F746 AromaticContact CE1-CZ 4Å; F697-F746 HydrophobicContact CE1-CZ 4Å
698	L	94.3	Very high	92.5	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64.4	-38.1	177.5	-71	178.5	0	0	0	112.2	V694 L696 I701 M702 I738 L741 E742 F746 L751 A909	V694-L698 HydrophobicContact CG1-CD1 3.94Å; V694-L698 HydrophobicContact CG1-CG 4.23Å; V694-L698 WeakPolarHBondContact O-CB 3.4Å; V694-L698 WeakPolarHBondContact O-CG 3.44Å; V694-L698 PolarHBondContact O-N 3.24Å; L696-L698 PolarHBondContact O-N 3.29Å; L698-I701 PolarHBondContact O-N 2.97Å; L698-M702 WeakPolarHBondContact O-CB 3.43Å; L698-M702 PolarHBondContact O-N 3.38Å; L698-I738 HydrophobicContact CB-CD1 4.5Å; L698-I738 HydrophobicContact CB-CG2 4.03Å; L698-I738 HydrophobicContact CD1-CG2 4.29Å; L698-I738 HydrophobicContact CD2-CD1 4.43Å; L698-I738 HydrophobicContact CD2-CG2 4.43Å; L698-I738 HydrophobicContact CG-CG2 4.49Å; L698-I738 VanDerWaalsContact O-CD1 3.24Å; L698-I738 WeakPolarHBondContact O-CD1 3.37Å; L698-L741 HydrophobicContact CD2-CB 4.07Å; L698-E742 HydrophobicContact CD1-CB 4.11Å; L698-E742 HydrophobicContact CD1-CG 4.46Å; L698-F746 HydrophobicContact CD1-CD2 4.37Å; L698-F746 HydrophobicContact CD2-CD2 4.15Å; L698-F746 HydrophobicContact CD2-CE2 4.01Å; L698-L751 HydrophobicContact CD1-CD2 3.71Å; L698-A909 HydrophobicContact CB-CB 3.92Å
699	A	92.8	Very high	92.5	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.1	-39.2	175.6	0	0	0	0	0	112.5	M666 T695 L696 F697 M702 L703 A909 G913	M666-A699 HydrophobicContact CE-CB 4.12Å; M666-A699 HydrophobicContact SD-CB 3.48Å; M666-A699 WeakPolarHBondContact SD-CB 3.3Å; T695-A699 VanDerWaalsContact O-CB 3.26Å; T695-A699 WeakPolarHBondContact O-CB 3.38Å; T695-A699 PolarHBondContact O-N 3.38Å; L696-A699 PolarHBondContact O-N 2.88Å; F697-A699 PolarHBondContact O-N 2.88Å; A699-M702 WeakPolarHBondContact O-CB 3.47Å; A699-M702 PolarHBondContact O-N 3.45Å; A699-L703 PolarHBondContact O-N 2.94Å; A699-L703 VanDerWaalsContact O-N 3.12Å; A699-A909 WeakPolarHBondContact CA-O 3.31Å; A699-A909 WeakPolarHBondContact CB-O 3.24Å; A699-G913 WeakPolarHBondContact O-CA 3.42Å
700	F	94.1	Very high	92.1	Very high	84 Å²	84	34.6 Å²	34.6	37%	0.368	19%	0.186	S	C	.	.	H	α-helix	trans	-70.3	-38	174.6	-84.1	-70.8	0	0	0	112.7	L696 F697 M702 L703 Q704 L916	L696-F700 HydrophobicContact CD1-CE2 4.26Å; L696-F700 HydrophobicContact CD2-CD2 3.51Å; L696-F700 HydrophobicContact CD2-CE2 3.58Å; L696-F700 HydrophobicContact CG-CD2 3.83Å; L696-F700 HydrophobicContact CG-CE2 3.69Å; L696-F700 VanDerWaalsContact O-CD2 3.25Å; L696-F700 WeakPolarHBondContact O-CD2 3.32Å; L696-F700 PolarHBondContact O-N 3.45Å; F697-F700 PolarHBondContact O-N 3.47Å; F700-M702 VanDerWaalsContact C-N 3.3Å; F700-M702 PolarHBondContact O-N 2.96Å; F700-L703 HydrophobicContact CD1-CD2 4.38Å; F700-L703 PolarHBondContact O-N 2.91Å; F700-Q704 WeakPolarHBondContact O-CG 3.34Å; F700-Q704 PolarHBondContact O-N 3.17Å; F700-L916 HydrophobicContact CE1-CD1 4.45Å
701	I	95.9	Very high	91.9	Very high	46 Å²	46	38.6 Å²	38.6	24%	0.236	20%	0.199	C	C	.	.	H	α-helix	trans	-59.9	-44.3	172.5	-71.7	173.7	0	0	0	110.3	F697 L698 L703 Q704 F705 L737 I738 L741	F697-I701 HydrophobicContact CD1-CD1 3.78Å; F697-I701 HydrophobicContact CD2-CD1 4.47Å; F697-I701 HydrophobicContact CE1-CD1 3.3Å; F697-I701 HydrophobicContact CE1-CG1 4.46Å; F697-I701 HydrophobicContact CE2-CD1 4.06Å; F697-I701 HydrophobicContact CG-CD1 4.36Å; F697-I701 HydrophobicContact CZ-CD1 3.47Å; F697-I701 VanDerWaalsContact CZ-CD1 3.47Å; F697-I701 HydrophobicContact CZ-CG1 4.39Å; F697-I701 WeakPolarHBondContact O-CG1 3.46Å; F697-I701 PolarHBondContact O-N 3.47Å; L698-I701 PolarHBondContact O-N 2.97Å; I701-L703 VanDerWaalsContact C-N 3.35Å; I701-L703 PolarHBondContact O-N 3.29Å; I701-Q704 PolarHBondContact O-N 2.98Å; I701-F705 VanDerWaalsContact O-CB 3.29Å; I701-F705 WeakPolarHBondContact O-CB 3.48Å; I701-F705 PolarHBondContact O-N 3.22Å; I701-L737 HydrophobicContact CG2-CD2 4.44Å; I701-I738 HydrophobicContact CB-CD1 4.11Å; I701-I738 HydrophobicContact CG2-CD1 3.82Å; I701-L741 HydrophobicContact CD1-CD1 4.48Å; I701-L741 HydrophobicContact CG2-CD1 3.98Å
702	M	93.4	Very high	91.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-56.7	-48.7	177.6	179.6	57.8	178.2	0	0	111.6	L698 A699 F700 C706 V731 G734 M735 I738 M914	L698-M702 WeakPolarHBondContact O-CB 3.43Å; L698-M702 PolarHBondContact O-N 3.38Å; A699-M702 WeakPolarHBondContact O-CB 3.47Å; A699-M702 PolarHBondContact O-N 3.45Å; F700-M702 VanDerWaalsContact C-N 3.3Å; F700-M702 PolarHBondContact O-N 2.96Å; M702-C706 WeakPolarHBondContact O-CB 3.19Å; M702-C706 PolarHBondContact O-N 3.31Å; M702-C706 PolarHBondContact O-SG 3.45Å; M702-V731 HydrophobicContact CE-CG1 4.48Å; M702-G734 WeakPolarHBondContact SD-CA 3.47Å; M702-G734 VanDerWaalsContact SD-O 3.4Å; M702-M735 HydrophobicContact CE-CG 3.93Å; M702-I738 HydrophobicContact CB-CD1 3.94Å; M702-I738 HydrophobicContact CB-CG1 3.75Å; M702-I738 HydrophobicContact CG-CG1 4.22Å; M702-I738 HydrophobicContact SD-CG1 3.85Å; M702-M914 HydrophobicContact CE-CB 4.17Å
703	L	93.2	Very high	91.2	Very high	17 Å²	17	43.6 Å²	43.6	9%	0.089	22%	0.219	C	C	.	.	H	α-helix	trans	-56.4	-55	175.6	171.4	65.1	0	0	0	110.8	A699 F700 I701 F705 C706 L707 L916 V920	A699-L703 PolarHBondContact O-N 2.94Å; A699-L703 VanDerWaalsContact O-N 3.12Å; F700-L703 HydrophobicContact CD1-CD2 4.38Å; F700-L703 PolarHBondContact O-N 2.91Å; I701-L703 VanDerWaalsContact C-N 3.35Å; I701-L703 PolarHBondContact O-N 3.29Å; L703-F705 VanDerWaalsContact C-N 3.35Å; L703-F705 PolarHBondContact O-N 2.86Å; L703-C706 PolarHBondContact O-N 2.93Å; L703-L707 HydrophobicContact CD1-CD1 4.05Å; L703-L707 HydrophobicContact CD1-CG 4.08Å; L703-L707 HydrophobicContact CG-CD1 4.11Å; L703-L707 HydrophobicContact CG-CG 4.45Å; L703-L707 VanDerWaalsContact O-CG 3.31Å; L703-L707 WeakPolarHBondContact O-CG 2.81Å; L703-L707 PolarHBondContact O-N 3.17Å; L703-L916 HydrophobicContact CD1-CB 4.19Å; L703-L916 HydrophobicContact CD2-CB 4.22Å; L703-L916 HydrophobicContact CD2-CD1 4.36Å; L703-V920 HydrophobicContact CD1-CG2 4.33Å
704	Q	94.5	Very high	90.2	Very high	105 Å²	105	48.9 Å²	48.9	49%	0.491	23%	0.227	S	C	.	.	H	α-helix	trans	-61.8	-42.8	-176.2	-69.7	-62.8	-6.9	0	0	112.2	F700 I701 C706 L707 I708	F700-Q704 WeakPolarHBondContact O-CG 3.34Å; F700-Q704 PolarHBondContact O-N 3.17Å; I701-Q704 PolarHBondContact O-N 2.98Å; Q704-C706 PolarHBondContact O-N 3.39Å; Q704-L707 PolarHBondContact O-N 3.37Å; Q704-I708 VanDerWaalsContact O-CG1 3.29Å; Q704-I708 WeakPolarHBondContact O-CG1 2.93Å; Q704-I708 PolarHBondContact O-N 3.12Å
705	F	94.5	Very high	89.5	Confident	57 Å²	57	49.3 Å²	49.3	25%	0.25	23%	0.234	C	C	.	.	H	α-helix	trans	-60.1	-45.9	176.7	-177.4	-104.2	0	0	0	111.7	I701 L703 L707 I708 L709 L733 L737	I701-F705 VanDerWaalsContact O-CB 3.29Å; I701-F705 WeakPolarHBondContact O-CB 3.48Å; I701-F705 PolarHBondContact O-N 3.22Å; L703-F705 VanDerWaalsContact C-N 3.35Å; L703-F705 PolarHBondContact O-N 2.86Å; F705-L707 VanDerWaalsContact C-N 3.34Å; F705-L707 PolarHBondContact O-N 3Å; F705-I708 PolarHBondContact O-N 3.42Å; F705-L709 HydrophobicContact CD1-CD1 4.04Å; F705-L709 HydrophobicContact CD1-CG 4.48Å; F705-L709 HydrophobicContact CE1-CD1 3.42Å; F705-L709 VanDerWaalsContact CE1-CD1 3.42Å; F705-L709 HydrophobicContact CE1-CG 4.12Å; F705-L709 HydrophobicContact CZ-CD1 3.75Å; F705-L709 HydrophobicContact CZ-CD2 4.4Å; F705-L709 HydrophobicContact CZ-CG 4.17Å; F705-L709 WeakPolarHBondContact O-CG 3.28Å; F705-L709 PolarHBondContact O-N 3.22Å; F705-L733 HydrophobicContact CE1-CB 4.07Å; F705-L737 HydrophobicContact CB-CD2 3.92Å; F705-L737 HydrophobicContact CD1-CD2 3.84Å; F705-L737 HydrophobicContact CD2-CD2 3.46Å; F705-L737 VanDerWaalsContact CD2-CD2 3.46Å; F705-L737 HydrophobicContact CE1-CB 4.48Å; F705-L737 HydrophobicContact CE1-CD2 4.16Å; F705-L737 HydrophobicContact CE2-CD2 3.83Å; F705-L737 HydrophobicContact CG-CD2 3.45Å; F705-L737 VanDerWaalsContact CG-CD2 3.45Å; F705-L737 HydrophobicContact CZ-CD2 4.16Å
706	C	90.4	Very high	89	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65.9	-35.9	178.1	-67.8	0	0	0	0	112.3	M702 L703 Q704 A710 Y917	M702-C706 WeakPolarHBondContact O-CB 3.19Å; M702-C706 PolarHBondContact O-N 3.31Å; M702-C706 PolarHBondContact O-SG 3.45Å; L703-C706 PolarHBondContact O-N 2.93Å; Q704-C706 PolarHBondContact O-N 3.39Å; C706-A710 WeakPolarHBondContact O-CB 3.31Å; C706-A710 PolarHBondContact O-N 2.95Å; C706-Y917 HydrophobicContact CB-CD1 4.43Å; C706-Y917 HydrophobicContact CB-CD2 3.31Å; C706-Y917 HydrophobicContact CB-CE2 3.59Å; C706-Y917 HydrophobicContact CB-CG 3.78Å
707	L	90.8	Very high	88.5	Confident	34 Å²	34	62.4 Å²	62.4	18%	0.178	29%	0.292	C	S	.	.	H	α-helix	trans	-64.8	-43.3	173.3	-68.9	-178.7	0	0	0	111.9	L703 Q704 F705 A710 Q711 Y917 V920 M921	L703-L707 HydrophobicContact CD1-CD1 4.05Å; L703-L707 HydrophobicContact CD1-CG 4.08Å; L703-L707 HydrophobicContact CG-CD1 4.11Å; L703-L707 HydrophobicContact CG-CG 4.45Å; L703-L707 VanDerWaalsContact O-CG 3.31Å; L703-L707 WeakPolarHBondContact O-CG 2.81Å; L703-L707 PolarHBondContact O-N 3.17Å; Q704-L707 PolarHBondContact O-N 3.37Å; F705-L707 VanDerWaalsContact C-N 3.34Å; F705-L707 PolarHBondContact O-N 3Å; L707-A710 CarbonylContact O-C 3.53Å; L707-A710 PolarHBondContact O-N 2.73Å; L707-Q711 WeakPolarHBondContact O-CG 3.49Å; L707-Q711 PolarHBondContact O-N 3.03Å; L707-Y917 HydrophobicContact CD2-CD2 4.2Å; L707-Y917 HydrophobicContact CD2-CE2 4.39Å; L707-V920 HydrophobicContact CD2-CG1 4.24Å; L707-M921 HydrophobicContact CD2-CE 3.25Å
708	I	92.3	Very high	88	Confident	86 Å²	86	63.1 Å²	63.1	44%	0.441	30%	0.295	S	S	.	.	H	α-helix	trans	-61.1	-48.1	176.3	-69.3	164.8	0	0	0	110.1	Q704 F705 A710 Q711 L712	Q704-I708 VanDerWaalsContact O-CG1 3.29Å; Q704-I708 WeakPolarHBondContact O-CG1 2.93Å; Q704-I708 PolarHBondContact O-N 3.12Å; F705-I708 PolarHBondContact O-N 3.42Å; I708-A710 VanDerWaalsContact C-N 3.28Å; I708-A710 PolarHBondContact O-N 3.02Å; I708-Q711 WeakPolarHBondContact O-CB 3.42Å; I708-Q711 PolarHBondContact O-N 3.46Å; I708-Q711 VanDerWaalsContact O-N 3.09Å; I708-L712 HydrophobicContact CG2-CD1 4.31Å; I708-L712 HydrophobicContact CG2-CG 4.44Å; I708-L712 WeakPolarHBondContact O-CG 3.47Å; I708-L712 PolarHBondContact O-N 3.36Å
709	L	89.9	Confident	87.5	Confident	12 Å²	12	72.3 Å²	72.3	6%	0.063	33%	0.33	C	S	.	.	H	α-helix	trans	-61.4	-36.7	176.3	-68	-173.4	0	0	0	112.3	F705 L712 K713 N730 L733	F705-L709 HydrophobicContact CD1-CD1 4.04Å; F705-L709 HydrophobicContact CD1-CG 4.48Å; F705-L709 HydrophobicContact CE1-CD1 3.42Å; F705-L709 VanDerWaalsContact CE1-CD1 3.42Å; F705-L709 HydrophobicContact CE1-CG 4.12Å; F705-L709 HydrophobicContact CZ-CD1 3.75Å; F705-L709 HydrophobicContact CZ-CD2 4.4Å; F705-L709 HydrophobicContact CZ-CG 4.17Å; F705-L709 WeakPolarHBondContact O-CG 3.28Å; F705-L709 PolarHBondContact O-N 3.22Å; L709-L712 HydrophobicContact CD2-CD1 3.99Å; L709-L712 PolarHBondContact O-N 3.08Å; L709-K713 PolarHBondContact O-N 3.03Å; L709-K713 VanDerWaalsContact O-N 3.08Å; L709-N730 HydrophobicContact CB-CB 3.67Å; L709-N730 HydrophobicContact CD1-CB 3.79Å; L709-N730 HydrophobicContact CG-CB 4.4Å; L709-L733 HydrophobicContact CD1-CB 4.21Å; L709-L733 HydrophobicContact CD1-CD1 4.23Å
710	A	82.8	Confident	86.6	Confident	9 Å²	9	77.1 Å²	77.1	7%	0.074	35%	0.348	C	S	.	.	H	α-helix	trans	-69.3	-30.9	174.7	0	0	0	0	0	113.1	C706 L707 I708 K713 M921	C706-A710 WeakPolarHBondContact O-CB 3.31Å; C706-A710 PolarHBondContact O-N 2.95Å; L707-A710 CarbonylContact O-C 3.53Å; L707-A710 PolarHBondContact O-N 2.73Å; I708-A710 VanDerWaalsContact C-N 3.28Å; I708-A710 PolarHBondContact O-N 3.02Å; A710-K713 WeakPolarHBondContact O-CB 3.36Å; A710-M921 HydrophobicContact CB-CE 3.83Å
711	Q	86.6	Confident	85.6	Confident	117 Å²	117	78.3 Å²	78.3	55%	0.547	36%	0.358	S	S	.	.	H	α-helix	trans	-72.8	-42.8	171.7	-72.7	177.4	-2.7	0	0	111.3	L707 I708 K713 R714 G715	L707-Q711 WeakPolarHBondContact O-CG 3.49Å; L707-Q711 PolarHBondContact O-N 3.03Å; I708-Q711 WeakPolarHBondContact O-CB 3.42Å; I708-Q711 PolarHBondContact O-N 3.46Å; I708-Q711 VanDerWaalsContact O-N 3.09Å; Q711-K713 PolarHBondContact O-N 3.38Å; Q711-R714 WeakPolarHBondContact O-CA 3.33Å; Q711-R714 PolarHBondContact O-N 2.92Å; Q711-G715 PolarHBondContact O-N 2.65Å
712	L	87	Confident	85	Confident	45 Å²	45	80.1 Å²	80.1	24%	0.236	37%	0.367	C	S	.	.	H	α-helix	trans	-55.9	-36.8	174.1	-73.4	176	0	0	0	111.3	I708 L709 R714 G715 F718 R723	I708-L712 HydrophobicContact CG2-CD1 4.31Å; I708-L712 HydrophobicContact CG2-CG 4.44Å; I708-L712 WeakPolarHBondContact O-CG 3.47Å; I708-L712 PolarHBondContact O-N 3.36Å; L709-L712 HydrophobicContact CD2-CD1 3.99Å; L709-L712 PolarHBondContact O-N 3.08Å; L712-R714 PolarHBondContact O-N 3.29Å; L712-G715 PolarHBondContact O-N 3.39Å; L712-F718 HydrophobicContact CD2-CE2 4.39Å; L712-R723 WeakPolarHBondContact O-CD 3.32Å; L712-R723 WeakPolarHBondContact O-CG 3.45Å
713	K	79.6	Confident	84.4	Confident	91 Å²	91	82.9 Å²	82.9	40%	0.396	38%	0.378	S	S	.	.	H	α-helix	trans	-54.5	-36.6	173.6	-172.6	-177.7	176.3	176.9	0	113.5	L709 A710 Q711 R723	L709-K713 PolarHBondContact O-N 3.03Å; L709-K713 VanDerWaalsContact O-N 3.08Å; A710-K713 WeakPolarHBondContact O-CB 3.36Å; Q711-K713 PolarHBondContact O-N 3.38Å; K713-R723 VanDerWaalsContact CA-CG 3.47Å; K713-R723 WeakPolarHBondContact O-CD 3.43Å; K713-R723 WeakPolarHBondContact O-CG 3.16Å; K713-R723 PolarHBondContact O-NE 3.48Å
714	R	72	Confident	83.4	Confident	151 Å²	151	87.6 Å²	87.6	57%	0.57	40%	0.398	S	S	*	.	H	α-helix	trans	-91.4	-20.1	-179.5	-68.4	-176.9	-73.4	175.7	3.3	113.1	Q711 L712	Q711-R714 WeakPolarHBondContact O-CA 3.33Å; Q711-R714 PolarHBondContact O-N 2.92Å; L712-R714 PolarHBondContact O-N 3.29Å
715	G	76.9	Confident	82.5	Confident	22 Å²	22	87.3 Å²	87.3	23%	0.227	40%	0.399	C	S	.	.	S	Bend	trans	-72.8	173.5	-179.2	0	0	0	0	0	114	Q711 L712 R723	Q711-G715 PolarHBondContact O-N 2.65Å; L712-G715 PolarHBondContact O-N 3.39Å; G715-R723 WeakPolarHBondContact O-CD 2.95Å; G715-R723 PolarHBondContact O-NE 3.07Å; G715-R723 PolarHBondContact O-NH1 3Å
716	N	82.2	Confident	82	Confident	152 Å²	152	86.6 Å²	86.6	81%	0.813	40%	0.398	S	S	*	.	S	Bend	trans	-92.9	-8.4	178.5	-65.8	-15.4	0	0	0	113.1
717	Y	80.4	Confident	81.2	Confident	175 Å²	175	86.9 Å²	86.9	69%	0.686	40%	0.4	S	S	*	.	S	Bend	trans	-70.8	143.1	176.1	-54.4	-72.3	0	0	0	110.9
718	F	84.9	Confident	80.2	Confident	123 Å²	123	86.3 Å²	86.3	54%	0.539	40%	0.401	S	S	.	.	S	Bend	trans	67.2	154.8	-173.8	-52.8	-78.4	0	0	0	116.5	L712 I722 L726	L712-F718 HydrophobicContact CD2-CE2 4.39Å; F718-I722 HydrophobicContact CB-CB 4.37Å; F718-I722 HydrophobicContact CB-CG2 4.21Å; F718-I722 HydrophobicContact CD1-CG2 4.42Å; F718-I722 HydrophobicContact CG-CG2 4.42Å; F718-L726 HydrophobicContact CD2-CD1 4.39Å
719	R	83.4	Confident	79.7	Confident	192 Å²	192	84 Å²	84	73%	0.725	39%	0.389	S	S	*	.			trans	-61.1	144.5	173.3	-168.4	173.1	-178.1	177.5	1.5	110.4	N721 I722 R723	R719-N721 PolarHBondContact O-N 3.39Å; R719-I722 HydrophobicContact CB-CD1 4.36Å; R719-I722 PolarHBondContact O-N 2.94Å; R719-R723 PolarHBondContact O-N 2.9Å
720	R	74	Confident	79.3	Confident	102 Å²	102	83.9 Å²	83.9	39%	0.385	39%	0.389	S	S	.	.	H	α-helix	trans	-47.5	-41.2	-177.1	-171.2	-179.9	-173.8	-175.3	3.9	114.1	K724 H874	R720-K724 WeakPolarHBondContact O-CG 3.45Å; R720-K724 PolarHBondContact O-N 3.36Å; R720-H874 PolarHBondContact NH2-NE2 3.34Å
721	N	72.6	Confident	79.1	Confident	108 Å²	108	84.3 Å²	84.3	58%	0.578	39%	0.39	S	S	*	.	H	α-helix	trans	-67.3	-46.8	-179.5	-67.8	-2.5	0	0	0	111.8	R719 R723 K724 L725	R719-N721 PolarHBondContact O-N 3.39Å; N721-R723 VanDerWaalsContact C-N 3.33Å; N721-R723 PolarHBondContact O-N 2.82Å; N721-K724 PolarHBondContact O-N 3.39Å; N721-L725 PolarHBondContact O-N 3.09Å
722	I	83.1	Confident	79	Confident	84 Å²	84	79.6 Å²	79.6	43%	0.431	37%	0.369	S	S	.	.	H	α-helix	trans	-62.6	-44	177.2	-61.6	172.9	0	0	0	109.8	F718 R719 K724 L725 L726	F718-I722 HydrophobicContact CB-CB 4.37Å; F718-I722 HydrophobicContact CB-CG2 4.21Å; F718-I722 HydrophobicContact CD1-CG2 4.42Å; F718-I722 HydrophobicContact CG-CG2 4.42Å; R719-I722 HydrophobicContact CB-CD1 4.36Å; R719-I722 PolarHBondContact O-N 2.94Å; I722-K724 PolarHBondContact O-N 2.64Å; I722-L725 WeakPolarHBondContact O-CB 3.48Å; I722-L725 PolarHBondContact O-N 3.33Å; I722-L725 VanDerWaalsContact O-N 3.15Å; I722-L726 HydrophobicContact CG2-CD1 3.82Å; I722-L726 HydrophobicContact CG2-CG 4.13Å; I722-L726 WeakPolarHBondContact O-CB 3.21Å; I722-L726 WeakPolarHBondContact O-CG 3.36Å; I722-L726 PolarHBondContact O-N 3.31Å
723	R	82	Confident	79.1	Confident	59 Å²	59	80.1 Å²	80.1	22%	0.223	37%	0.372	C	S	.	.	H	α-helix	trans	-60.6	-41.8	178	-175.1	169.5	74.5	-141.7	11.4	113	L712 K713 G715 R719 N721 G727	L712-R723 WeakPolarHBondContact O-CD 3.32Å; L712-R723 WeakPolarHBondContact O-CG 3.45Å; K713-R723 VanDerWaalsContact CA-CG 3.47Å; K713-R723 WeakPolarHBondContact O-CD 3.43Å; K713-R723 WeakPolarHBondContact O-CG 3.16Å; K713-R723 PolarHBondContact O-NE 3.48Å; G715-R723 WeakPolarHBondContact O-CD 2.95Å; G715-R723 PolarHBondContact O-NE 3.07Å; G715-R723 PolarHBondContact O-NH1 3Å; R719-R723 PolarHBondContact O-N 2.9Å; N721-R723 VanDerWaalsContact C-N 3.33Å; N721-R723 PolarHBondContact O-N 2.82Å; R723-G727 PolarHBondContact O-N 3.08Å; R723-G727 VanDerWaalsContact O-N 3.08Å
724	K	71	Confident	79.6	Confident	115 Å²	115	75.8 Å²	75.8	50%	0.5	35%	0.354	S	S	.	.	H	α-helix	trans	-63.3	-43.3	173.5	-75.9	179.1	179.7	-175.5	0	111.5	R720 N721 I722 A728	R720-K724 WeakPolarHBondContact O-CG 3.45Å; R720-K724 PolarHBondContact O-N 3.36Å; N721-K724 PolarHBondContact O-N 3.39Å; I722-K724 PolarHBondContact O-N 2.64Å; K724-A728 VanDerWaalsContact O-CB 3.3Å; K724-A728 WeakPolarHBondContact O-CB 3.48Å; K724-A728 PolarHBondContact O-N 3.29Å
725	L	76.9	Confident	80.3	Confident	99 Å²	99	69.6 Å²	69.6	52%	0.518	33%	0.331	S	S	.	.	H	α-helix	trans	-65.3	-49.7	179.1	-175.3	66.8	0	0	0	112.1	N721 I722 G727 A728 L729	N721-L725 PolarHBondContact O-N 3.09Å; I722-L725 WeakPolarHBondContact O-CB 3.48Å; I722-L725 PolarHBondContact O-N 3.33Å; I722-L725 VanDerWaalsContact O-N 3.15Å; L725-G727 VanDerWaalsContact C-N 3.33Å; L725-G727 PolarHBondContact O-N 3.35Å; L725-A728 WeakPolarHBondContact O-CB 3.5Å; L725-A728 PolarHBondContact O-N 3.31Å; L725-A728 VanDerWaalsContact O-N 3.07Å; L725-L729 HydrophobicContact CD1-CD1 3.72Å; L725-L729 HydrophobicContact CD1-CG 4.13Å; L725-L729 HydrophobicContact CG-CD1 3.87Å; L725-L729 HydrophobicContact CG-CG 4.46Å; L725-L729 WeakPolarHBondContact O-CB 3.33Å; L725-L729 WeakPolarHBondContact O-CG 3.15Å; L725-L729 PolarHBondContact O-N 2.85Å
726	L	82.9	Confident	81	Confident	43 Å²	43	74.1 Å²	74.1	23%	0.225	35%	0.35	C	S	.	.	H	α-helix	trans	-60.4	-41.7	177.8	-74	175.3	0	0	0	112.1	F718 I722 A728 L729 N730 L733	F718-L726 HydrophobicContact CD2-CD1 4.39Å; I722-L726 HydrophobicContact CG2-CD1 3.82Å; I722-L726 HydrophobicContact CG2-CG 4.13Å; I722-L726 WeakPolarHBondContact O-CB 3.21Å; I722-L726 WeakPolarHBondContact O-CG 3.36Å; I722-L726 PolarHBondContact O-N 3.31Å; L726-A728 VanDerWaalsContact C-N 3.28Å; L726-A728 PolarHBondContact O-N 2.97Å; L726-L729 PolarHBondContact O-N 3.42Å; L726-N730 PolarHBondContact O-N 3.22Å; L726-L733 HydrophobicContact CD2-CD1 4.08Å
727	G	74.5	Confident	81.5	Confident	5 Å²	5	69.6 Å²	69.6	5%	0.052	33%	0.325	C	S	.	.	H	α-helix	trans	-68.5	-26.3	175.5	0	0	0	0	0	113.8	R723 L725	R723-G727 PolarHBondContact O-N 3.08Å; R723-G727 VanDerWaalsContact O-N 3.08Å; L725-G727 VanDerWaalsContact C-N 3.33Å; L725-G727 PolarHBondContact O-N 3.35Å
728	A	69.7	Low	82.1	Confident	23 Å²	23	61.3 Å²	61.3	19%	0.19	29%	0.293	C	S	.	.	H	α-helix	trans	-82.3	-35	176.4	0	0	0	0	0	112.4	F537 K724 L725 L726 N730	F537-A728 HydrophobicContact CB-CB 4.24Å; F537-A728 HydrophobicContact CD2-CB 3.55Å; F537-A728 WeakPolarHBondContact CD2-O 3.1Å; F537-A728 HydrophobicContact CE2-CB 4.25Å; F537-A728 HydrophobicContact CG-CB 4.16Å; K724-A728 VanDerWaalsContact O-CB 3.3Å; K724-A728 WeakPolarHBondContact O-CB 3.48Å; K724-A728 PolarHBondContact O-N 3.29Å; L725-A728 WeakPolarHBondContact O-CB 3.5Å; L725-A728 PolarHBondContact O-N 3.31Å; L725-A728 VanDerWaalsContact O-N 3.07Å; L726-A728 VanDerWaalsContact C-N 3.28Å; L726-A728 PolarHBondContact O-N 2.97Å; A728-N730 VanDerWaalsContact C-N 3.32Å
729	L	80.7	Confident	82.5	Confident	37 Å²	37	56.2 Å²	56.2	19%	0.194	27%	0.272	C	S	.	.	S	Bend	trans	-91.9	14.2	-179.1	-66.1	-179	0	0	0	113.5	L536 F540 L725 L726 V731 P732 L733	L536-L729 HydrophobicContact CD2-CD2 3.46Å; L536-L729 VanDerWaalsContact CD2-CD2 3.46Å; F540-L729 HydrophobicContact CD2-CD2 4.24Å; F540-L729 HydrophobicContact CE2-CD2 4.21Å; L725-L729 HydrophobicContact CD1-CD1 3.72Å; L725-L729 HydrophobicContact CD1-CG 4.13Å; L725-L729 HydrophobicContact CG-CD1 3.87Å; L725-L729 HydrophobicContact CG-CG 4.46Å; L725-L729 WeakPolarHBondContact O-CB 3.33Å; L725-L729 WeakPolarHBondContact O-CG 3.15Å; L725-L729 PolarHBondContact O-N 2.85Å; L726-L729 PolarHBondContact O-N 3.42Å; L729-V731 PolarHBondContact O-N 3.19Å; L729-P732 WeakPolarHBondContact O-CD 2.98Å; L729-L733 HydrophobicContact CB-CD1 3.79Å; L729-L733 HydrophobicContact CB-CG 3.99Å; L729-L733 VanDerWaalsContact O-CB 3.24Å; L729-L733 WeakPolarHBondContact O-CB 3.05Å; L729-L733 WeakPolarHBondContact O-CG 3.37Å; L729-L733 PolarHBondContact O-N 2.86Å
730	N	83.1	Confident	82.9	Confident	10 Å²	10	48.4 Å²	48.4	5%	0.053	25%	0.251	C	S	.	.	H	α-helix	trans	-62.6	-41.6	-171.1	66	-17.1	0	0	0	113.9	L709 L726 A728 G734 Y917	L709-N730 HydrophobicContact CB-CB 3.67Å; L709-N730 HydrophobicContact CD1-CB 3.79Å; L709-N730 HydrophobicContact CG-CB 4.4Å; L726-N730 PolarHBondContact O-N 3.22Å; A728-N730 VanDerWaalsContact C-N 3.32Å; N730-G734 PolarHBondContact O-N 3.03Å; N730-Y917 VanDerWaalsContact ND2-CZ 3.3Å; N730-Y917 PolarHBondContact ND2-OH 2.94Å
731	V	78.6	Confident	83.9	Confident	18 Å²	18	45.3 Å²	45.3	11%	0.109	24%	0.242	C	C	.	.	H	α-helix	trans	-68.8	-50.7	178.5	175.1	0	0	0	0	111.8	S544 M702 L729 L733 G734 M735 M914 Y917	S544-V731 WeakPolarHBondContact OG-CG1 3.08Å; M702-V731 HydrophobicContact CE-CG1 4.48Å; L729-V731 PolarHBondContact O-N 3.19Å; V731-L733 PolarHBondContact O-N 2.75Å; V731-G734 PolarHBondContact O-N 3.19Å; V731-G734 VanDerWaalsContact O-N 3.17Å; V731-M735 HydrophobicContact CG1-CE 3.98Å; V731-M735 WeakPolarHBondContact O-CG 3.47Å; V731-M735 PolarHBondContact O-N 2.91Å; V731-M914 HydrophobicContact CG1-CG 3.85Å; V731-Y917 HydrophobicContact CG2-CD1 3.96Å; V731-Y917 HydrophobicContact CG2-CE1 3.75Å
732	P	83.3	Confident	84.9	Confident	17 Å²	17	41.1 Å²	41.1	11%	0.11	22%	0.219	C	C	.	.	H	α-helix	trans	-60	-43.4	175.9	-25.9	34.3	0	0	0	113.7	F540 L729 G734 M735 L736	F540-P732 HydrophobicContact CB-CG 3.6Å; F540-P732 HydrophobicContact CD1-CB 4.12Å; F540-P732 HydrophobicContact CD1-CG 3.35Å; F540-P732 HydrophobicContact CD2-CG 3.55Å; F540-P732 HydrophobicContact CE1-CB 4.08Å; F540-P732 HydrophobicContact CE1-CG 3.79Å; F540-P732 HydrophobicContact CE2-CB 4.48Å; F540-P732 HydrophobicContact CE2-CG 3.98Å; F540-P732 HydrophobicContact CG-CB 4.32Å; F540-P732 HydrophobicContact CG-CG 3.21Å; F540-P732 HydrophobicContact CZ-CB 4.27Å; F540-P732 HydrophobicContact CZ-CG 4.08Å; L729-P732 WeakPolarHBondContact O-CD 2.98Å; P732-G734 PolarHBondContact O-N 3.44Å; P732-M735 PolarHBondContact O-N 2.88Å; P732-L736 WeakPolarHBondContact O-CG 3.17Å; P732-L736 PolarHBondContact O-N 2.57Å
733	L	89.1	Confident	85.2	Confident	57 Å²	57	43.3 Å²	43.3	30%	0.298	22%	0.222	S	C	.	.	H	α-helix	trans	-62.3	-37	176.7	-70.3	172.8	0	0	0	111.1	F705 L709 L726 L729 V731 L736 L737	F705-L733 HydrophobicContact CE1-CB 4.07Å; L709-L733 HydrophobicContact CD1-CB 4.21Å; L709-L733 HydrophobicContact CD1-CD1 4.23Å; L726-L733 HydrophobicContact CD2-CD1 4.08Å; L729-L733 HydrophobicContact CB-CD1 3.79Å; L729-L733 HydrophobicContact CB-CG 3.99Å; L729-L733 VanDerWaalsContact O-CB 3.24Å; L729-L733 WeakPolarHBondContact O-CB 3.05Å; L729-L733 WeakPolarHBondContact O-CG 3.37Å; L729-L733 PolarHBondContact O-N 2.86Å; V731-L733 PolarHBondContact O-N 2.75Å; L733-L736 PolarHBondContact O-N 2.67Å; L733-L737 WeakPolarHBondContact O-CB 3.32Å; L733-L737 PolarHBondContact O-N 2.8Å
734	G	89.7	Confident	85.8	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.4	-45.5	172.5	0	0	0	0	0	112.5	M702 N730 V731 P732 L736 L737 I738	M702-G734 WeakPolarHBondContact SD-CA 3.47Å; M702-G734 VanDerWaalsContact SD-O 3.4Å; N730-G734 PolarHBondContact O-N 3.03Å; V731-G734 PolarHBondContact O-N 3.19Å; V731-G734 VanDerWaalsContact O-N 3.17Å; P732-G734 PolarHBondContact O-N 3.44Å; G734-L736 VanDerWaalsContact C-N 3.32Å; G734-L736 PolarHBondContact O-N 3.13Å; G734-L737 WeakPolarHBondContact O-CB 3Å; G734-L737 PolarHBondContact O-N 2.72Å; G734-I738 WeakPolarHBondContact O-CG1 3.5Å; G734-I738 PolarHBondContact O-N 3.04Å
735	M	87.6	Confident	86.8	Confident	20 Å²	20	47.8 Å²	47.8	10%	0.099	25%	0.248	C	C	.	.	H	α-helix	trans	-60.7	-42.4	176.9	-70.1	179	172.9	0	0	111.9	S544 M702 V731 P732 I738 T739 I906 L911 M914	S544-M735 WeakPolarHBondContact OG-CE 3.46Å; M702-M735 HydrophobicContact CE-CG 3.93Å; V731-M735 HydrophobicContact CG1-CE 3.98Å; V731-M735 WeakPolarHBondContact O-CG 3.47Å; V731-M735 PolarHBondContact O-N 2.91Å; P732-M735 PolarHBondContact O-N 2.88Å; M735-I738 PolarHBondContact O-N 3.35Å; M735-T739 WeakPolarHBondContact O-CB 3.27Å; M735-T739 PolarHBondContact O-N 3.2Å; M735-T739 PolarHBondContact O-OG1 2.92Å; M735-I906 HydrophobicContact SD-CD1 4.34Å; M735-L911 HydrophobicContact CE-CD2 4.02Å; M735-M914 HydrophobicContact CE-CE 3.61Å; M735-M914 HydrophobicContact CE-CG 4.49Å
736	L	90.5	Very high	87.5	Confident	117 Å²	117	44.9 Å²	44.9	61%	0.613	23%	0.231	S	C	*	.	H	α-helix	trans	-63.1	-43.2	175.1	-70.8	174.5	0	0	0	111.5	P732 L733 G734 T739 G740	P732-L736 WeakPolarHBondContact O-CG 3.17Å; P732-L736 PolarHBondContact O-N 2.57Å; L733-L736 PolarHBondContact O-N 2.67Å; G734-L736 VanDerWaalsContact C-N 3.32Å; G734-L736 PolarHBondContact O-N 3.13Å; L736-T739 PolarHBondContact O-N 2.79Å; L736-G740 PolarHBondContact O-N 3.21Å
737	L	93.7	Very high	87.7	Confident	58 Å²	58	52 Å²	52	30%	0.304	26%	0.255	S	S	.	.	H	α-helix	trans	-58.6	-50.7	176.4	177.6	70.1	0	0	0	111.2	I701 F705 L733 G734 T739 G740 L741	I701-L737 HydrophobicContact CG2-CD2 4.44Å; F705-L737 HydrophobicContact CB-CD2 3.92Å; F705-L737 HydrophobicContact CD1-CD2 3.84Å; F705-L737 HydrophobicContact CD2-CD2 3.46Å; F705-L737 VanDerWaalsContact CD2-CD2 3.46Å; F705-L737 HydrophobicContact CE1-CB 4.48Å; F705-L737 HydrophobicContact CE1-CD2 4.16Å; F705-L737 HydrophobicContact CE2-CD2 3.83Å; F705-L737 HydrophobicContact CG-CD2 3.45Å; F705-L737 VanDerWaalsContact CG-CD2 3.45Å; F705-L737 HydrophobicContact CZ-CD2 4.16Å; L733-L737 WeakPolarHBondContact O-CB 3.32Å; L733-L737 PolarHBondContact O-N 2.8Å; G734-L737 WeakPolarHBondContact O-CB 3Å; G734-L737 PolarHBondContact O-N 2.72Å; L737-T739 PolarHBondContact O-N 3.05Å; L737-G740 PolarHBondContact O-N 2.84Å; L737-L741 HydrophobicContact CD1-CD1 4.24Å; L737-L741 HydrophobicContact CD1-CG 4.28Å; L737-L741 HydrophobicContact CG-CD1 4.01Å; L737-L741 HydrophobicContact CG-CG 4.39Å; L737-L741 WeakPolarHBondContact O-CG 3.41Å; L737-L741 PolarHBondContact O-N 3.07Å
738	I	93.6	Very high	88.1	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-65.4	-40.7	-178.8	-61.8	-54	0	0	0	111.6	L698 I701 M702 G734 M735 G740 L741 E742 P907 A910	L698-I738 HydrophobicContact CB-CD1 4.5Å; L698-I738 HydrophobicContact CB-CG2 4.03Å; L698-I738 HydrophobicContact CD1-CG2 4.29Å; L698-I738 HydrophobicContact CD2-CD1 4.43Å; L698-I738 HydrophobicContact CD2-CG2 4.43Å; L698-I738 HydrophobicContact CG-CG2 4.49Å; L698-I738 VanDerWaalsContact O-CD1 3.24Å; L698-I738 WeakPolarHBondContact O-CD1 3.37Å; I701-I738 HydrophobicContact CB-CD1 4.11Å; I701-I738 HydrophobicContact CG2-CD1 3.82Å; M702-I738 HydrophobicContact CB-CD1 3.94Å; M702-I738 HydrophobicContact CB-CG1 3.75Å; M702-I738 HydrophobicContact CG-CG1 4.22Å; M702-I738 HydrophobicContact SD-CG1 3.85Å; G734-I738 WeakPolarHBondContact O-CG1 3.5Å; G734-I738 PolarHBondContact O-N 3.04Å; M735-I738 PolarHBondContact O-N 3.35Å; I738-G740 VanDerWaalsContact C-N 3.28Å; I738-G740 PolarHBondContact O-N 3.45Å; I738-L741 HydrophobicContact CD1-CD1 4.37Å; I738-L741 PolarHBondContact O-N 3.15Å; I738-E742 VanDerWaalsContact O-CB 3.27Å; I738-E742 WeakPolarHBondContact O-CB 3.17Å; I738-E742 PolarHBondContact O-N 3.35Å; I738-P907 HydrophobicContact CG2-CG 3.72Å; I738-A910 HydrophobicContact CB-CB 3.96Å; I738-A910 HydrophobicContact CG1-CB 4.36Å; I738-A910 HydrophobicContact CG2-CB 3.85Å
739	T	91.8	Very high	88.9	Confident	17 Å²	17	58.9 Å²	58.9	10%	0.104	30%	0.298	C	S	.	.	H	α-helix	trans	-61.5	-39	175	-53.8	0	0	0	0	111.1	M735 L736 L737 R743 N905	M735-T739 WeakPolarHBondContact O-CB 3.27Å; M735-T739 PolarHBondContact O-N 3.2Å; M735-T739 PolarHBondContact O-OG1 2.92Å; L736-T739 PolarHBondContact O-N 2.79Å; L737-T739 PolarHBondContact O-N 3.05Å; T739-R743 WeakPolarHBondContact O-CG 3.41Å; T739-R743 PolarHBondContact O-N 2.66Å; T739-N905 HydrophobicContact CG2-CB 4.25Å; T739-N905 WeakPolarHBondContact CG2-O 3.23Å
740	G	93.4	Very high	89.1	Confident	28 Å²	28	63.4 Å²	63.4	29%	0.289	32%	0.322	S	S	.	.	H	α-helix	trans	-66.4	-46.9	174.2	0	0	0	0	0	112.9	L736 L737 I738 E742 R743 I744	L736-G740 PolarHBondContact O-N 3.21Å; L737-G740 PolarHBondContact O-N 2.84Å; I738-G740 VanDerWaalsContact C-N 3.28Å; I738-G740 PolarHBondContact O-N 3.45Å; G740-E742 PolarHBondContact O-N 2.82Å; G740-R743 PolarHBondContact O-N 3.07Å; G740-I744 WeakPolarHBondContact O-CB 3.32Å; G740-I744 WeakPolarHBondContact O-CD1 3.44Å; G740-I744 WeakPolarHBondContact O-CG1 3.45Å; G740-I744 PolarHBondContact O-N 3.32Å
741	L	94.4	Very high	89.1	Confident	37 Å²	37	63.4 Å²	63.4	19%	0.194	32%	0.322	C	S	.	.	H	α-helix	trans	-63.5	-41.2	179.2	-71.7	176.7	0	0	0	112.3	L698 I701 L737 I738 I744 F745	L698-L741 HydrophobicContact CD2-CB 4.07Å; I701-L741 HydrophobicContact CD1-CD1 4.48Å; I701-L741 HydrophobicContact CG2-CD1 3.98Å; L737-L741 HydrophobicContact CD1-CD1 4.24Å; L737-L741 HydrophobicContact CD1-CG 4.28Å; L737-L741 HydrophobicContact CG-CD1 4.01Å; L737-L741 HydrophobicContact CG-CG 4.39Å; L737-L741 WeakPolarHBondContact O-CG 3.41Å; L737-L741 PolarHBondContact O-N 3.07Å; I738-L741 HydrophobicContact CD1-CD1 4.37Å; I738-L741 PolarHBondContact O-N 3.15Å; L741-I744 PolarHBondContact O-N 2.99Å; L741-F745 HydrophobicContact CD2-CD2 3.83Å; L741-F745 HydrophobicContact CD2-CE2 3.69Å; L741-F745 PolarHBondContact O-N 3.47Å
742	E	92.8	Very high	89.4	Confident	20 Å²	20	65 Å²	65	9%	0.093	33%	0.333	C	S	.	.	H	α-helix	trans	-58.7	-50.4	174.9	-176.9	-82	155	0	0	110.7	L698 I738 G740 I744 F746 R747 L751 P907	L698-E742 HydrophobicContact CD1-CB 4.11Å; L698-E742 HydrophobicContact CD1-CG 4.46Å; I738-E742 VanDerWaalsContact O-CB 3.27Å; I738-E742 WeakPolarHBondContact O-CB 3.17Å; I738-E742 PolarHBondContact O-N 3.35Å; G740-E742 PolarHBondContact O-N 2.82Å; E742-I744 PolarHBondContact O-N 2.94Å; E742-F746 CarbonylContact O-C 3.51Å; E742-F746 VanDerWaalsContact O-C 3.26Å; E742-F746 WeakPolarHBondContact O-CA 3.45Å; E742-F746 PolarHBondContact O-N 2.86Å; E742-R747 PolarHBondContact O-N 3.46Å; E742-L751 HydrophobicContact CG-CD1 4.21Å; E742-L751 HydrophobicContact CG-CD2 4.45Å; E742-P907 HydrophobicContact CB-CG 4.35Å; E742-P907 HydrophobicContact CG-CB 4.39Å; E742-P907 HydrophobicContact CG-CG 4.43Å
743	R	91	Very high	89.5	Confident	129 Å²	129	66.5 Å²	66.5	49%	0.487	34%	0.341	S	S	.	.	H	α-helix	trans	-66.7	-35	-179.5	-73.5	-177.8	172.9	-172.7	-5.4	114.5	T739 G740 N905	T739-R743 WeakPolarHBondContact O-CG 3.41Å; T739-R743 PolarHBondContact O-N 2.66Å; G740-R743 PolarHBondContact O-N 3.07Å; R743-N905 PolarHBondContact NH2-ND2 2.57Å; R743-N905 PolarHBondContact NH2-OD1 2.86Å
744	I	93.5	Very high	88.9	Confident	126 Å²	126	64 Å²	64	65%	0.646	33%	0.328	S	S	*	.	H	α-helix	trans	-79.5	-49	-177.3	-67.1	166.6	0	0	0	110.9	G740 L741 E742	G740-I744 WeakPolarHBondContact O-CB 3.32Å; G740-I744 WeakPolarHBondContact O-CD1 3.44Å; G740-I744 WeakPolarHBondContact O-CG1 3.45Å; G740-I744 PolarHBondContact O-N 3.32Å; L741-I744 PolarHBondContact O-N 2.99Å; E742-I744 PolarHBondContact O-N 2.94Å
745	F	92.3	Very high	88.2	Confident	142 Å²	142	70.3 Å²	70.3	62%	0.623	36%	0.362	S	S	*	.	H	α-helix	trans	-105	-29.7	-168.8	-64.3	-73.3	0	0	0	114.1	L741	L741-F745 HydrophobicContact CD2-CD2 3.83Å; L741-F745 HydrophobicContact CD2-CE2 3.69Å; L741-F745 PolarHBondContact O-N 3.47Å
746	F	90.8	Very high	87.6	Confident	39 Å²	39	69.9 Å²	69.9	17%	0.171	36%	0.36	C	S	.	.			trans	-120.1	12.3	-166.2	-59.1	-73.2	0	0	0	114.6	V694 F697 L698 E742 G748 Y749 L751	V694-F746 HydrophobicContact CB-CD1 4.35Å; V694-F746 HydrophobicContact CG1-CB 3.9Å; V694-F746 HydrophobicContact CG1-CD1 3.52Å; V694-F746 HydrophobicContact CG1-CD2 4.05Å; V694-F746 HydrophobicContact CG1-CE1 4.01Å; V694-F746 HydrophobicContact CG1-CE2 4.48Å; V694-F746 HydrophobicContact CG1-CG 3.54Å; V694-F746 HydrophobicContact CG1-CZ 4.46Å; V694-F746 HydrophobicContact CG2-CD1 3.75Å; V694-F746 HydrophobicContact CG2-CE1 3.98Å; F697-F746 HydrophobicContact CD1-CE2 4.36Å; F697-F746 HydrophobicContact CD1-CZ 4.02Å; F697-F746 HydrophobicContact CE1-CE2 4.33Å; F697-F746 AromaticContact CE1-CZ 4Å; F697-F746 HydrophobicContact CE1-CZ 4Å; L698-F746 HydrophobicContact CD1-CD2 4.37Å; L698-F746 HydrophobicContact CD2-CD2 4.15Å; L698-F746 HydrophobicContact CD2-CE2 4.01Å; E742-F746 CarbonylContact O-C 3.51Å; E742-F746 VanDerWaalsContact O-C 3.26Å; E742-F746 WeakPolarHBondContact O-CA 3.45Å; E742-F746 PolarHBondContact O-N 2.86Å; F746-G748 PolarHBondContact O-N 2.99Å; F746-Y749 HydrophobicContact CB-CD2 4.09Å; F746-Y749 AromaticContact CD1-CD2 3.94Å; F746-Y749 HydrophobicContact CD1-CD2 3.94Å; F746-Y749 AromaticContact CD1-CE2 3.9Å; F746-Y749 HydrophobicContact CD1-CE2 3.9Å; F746-Y749 PolarHBondContact O-N 3.34Å; F746-L751 HydrophobicContact CB-CD1 4.31Å
747	R	86.9	Confident	86.8	Confident	192 Å²	192	66.3 Å²	66.3	73%	0.725	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-51.7	-31.4	-179.4	-172.4	175.5	178.5	176.2	-0.6	113.7	E742 Y749	E742-R747 PolarHBondContact O-N 3.46Å; R747-Y749 VanDerWaalsContact C-N 3.28Å; R747-Y749 PolarHBondContact O-N 2.91Å
748	G	84.3	Confident	85.8	Confident	72 Å²	72	66 Å²	66	74%	0.742	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-69.6	-16.6	179.4	0	0	0	0	0	115.5	F746	F746-G748 PolarHBondContact O-N 2.99Å
749	Y	85.3	Confident	85	Confident	101 Å²	101	68.3 Å²	68.3	40%	0.396	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-89.3	-14.8	-176.9	-67.3	-79.3	0	0	0	113.8	A690 V691 V694 F746 R747	A690-Y749 HydrophobicContact CB-CD1 3.97Å; A690-Y749 HydrophobicContact CB-CE1 3.59Å; V691-Y749 WeakPolarHBondContact CG2-O 3.36Å; V694-Y749 HydrophobicContact CG2-CD2 4.08Å; V694-Y749 HydrophobicContact CG2-CE2 4.17Å; V694-Y749 HydrophobicContact CG2-CG 4.27Å; F746-Y749 HydrophobicContact CB-CD2 4.09Å; F746-Y749 AromaticContact CD1-CD2 3.94Å; F746-Y749 HydrophobicContact CD1-CD2 3.94Å; F746-Y749 AromaticContact CD1-CE2 3.9Å; F746-Y749 HydrophobicContact CD1-CE2 3.9Å; F746-Y749 PolarHBondContact O-N 3.34Å; R747-Y749 VanDerWaalsContact C-N 3.28Å; R747-Y749 PolarHBondContact O-N 2.91Å
750	N	84.6	Confident	84.3	Confident	131 Å²	131	74.7 Å²	74.7	70%	0.701	40%	0.395	S	S	*	.			trans	49.5	67.6	-176.7	-65.3	-38	0	0	0	112.7
751	L	84.8	Confident	83.6	Confident	10 Å²	10	79.9 Å²	79.9	5%	0.052	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-64.5	148	179.4	-81	80.6	0	0	0	111.3	V694 T695 L698 E742 F746 T753 A909	V694-L751 HydrophobicContact CG1-CD1 3.96Å; V694-L751 HydrophobicContact CG1-CD2 4.05Å; T695-L751 HydrophobicContact CG2-CD2 3.69Å; T695-L751 HydrophobicContact CG2-CG 4.11Å; L698-L751 HydrophobicContact CD1-CD2 3.71Å; E742-L751 HydrophobicContact CG-CD1 4.21Å; E742-L751 HydrophobicContact CG-CD2 4.45Å; F746-L751 HydrophobicContact CB-CD1 4.31Å; L751-T753 PolarHBondContact O-N 3.49Å; L751-A909 HydrophobicContact CD2-CB 4.34Å
752	P	83.8	Confident	82.7	Confident	53 Å²	53	79.5 Å²	79.5	34%	0.344	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-67	125.4	174.8	29.8	-35	0	0	0	109.8	L908	P752-L908 HydrophobicContact CB-CD1 3.76Å; P752-L908 HydrophobicContact CB-CG 4.39Å; P752-L908 HydrophobicContact CG-CB 4.49Å; P752-L908 HydrophobicContact CG-CD1 3.98Å; P752-L908 WeakPolarHBondContact O-CB 3.49Å; P752-L908 WeakPolarHBondContact O-CG 3.33Å; P752-L908 PolarHBondContact O-N 3.17Å
753	T	85.5	Confident	82.2	Confident	47 Å²	47	83 Å²	83	29%	0.288	43%	0.43	S	S	.	.	B	Isolated β-bridge	trans	-103.3	170.9	175.9	62.9	0	0	0	0	111.1	L751 N755 S904 I906	L751-T753 PolarHBondContact O-N 3.49Å; T753-N755 PolarHBondContact O-N 2.84Å; T753-S904 WeakPolarHBondContact CB-O 3.23Å; T753-S904 PolarHBondContact OG1-O 3.42Å; T753-I906 WeakPolarHBondContact CA-O 3.43Å; T753-I906 WeakPolarHBondContact CB-O 3.42Å
754	V	76.6	Confident	81.8	Confident	4 Å²	4	79.6 Å²	79.6	2%	0.024	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-69.5	116.5	176.1	-169.5	0	0	0	0	109.5	I547 V563 I756 S904 I906 L908 L911	I547-V754 HydrophobicContact CG2-CG1 4.04Å; I547-V754 HydrophobicContact CG2-CG2 4.21Å; V563-V754 HydrophobicContact CG1-CG1 4.44Å; V563-V754 HydrophobicContact CG2-CG1 4.33Å; V754-I756 VanDerWaalsContact C-N 3.34Å; V754-I756 HydrophobicContact CB-CD1 4.36Å; V754-I756 HydrophobicContact CG1-CD1 3.67Å; V754-I756 HydrophobicContact CG1-CG1 3.83Å; V754-I756 PolarHBondContact O-N 3.36Å; V754-S904 WeakPolarHBondContact O-CA 3.48Å; V754-I906 HydrophobicContact CG2-CB 4.45Å; V754-I906 PolarHBondContact N-O 3.2Å; V754-I906 VanDerWaalsContact N-O 3.13Å; V754-L908 HydrophobicContact CG2-CD2 4.17Å; V754-L911 HydrophobicContact CG2-CD1 3.64Å; V754-L911 HydrophobicContact CG2-CG 4.39Å
755	N	74.6	Confident	81.3	Confident	134 Å²	134	77.5 Å²	77.5	72%	0.717	43%	0.426	S	S	*	.			trans	-73.2	82.7	178.7	-71.3	-20	0	0	0	111.3	T753	T753-N755 PolarHBondContact O-N 2.84Å
756	I	75.9	Confident	80.8	Confident	10 Å²	10	72.6 Å²	72.6	5%	0.051	41%	0.408	C	S	.	.			trans	-113.5	124.3	170.9	-61.8	158.4	0	0	0	108	V563 T564 V754 G900 L903	V563-I756 HydrophobicContact CB-CG1 3.9Å; V563-I756 HydrophobicContact CG1-CD1 3.86Å; V563-I756 HydrophobicContact CG1-CG1 3.71Å; V563-I756 HydrophobicContact CG2-CG1 4.5Å; T564-I756 HydrophobicContact CG2-CG2 4.12Å; V754-I756 VanDerWaalsContact C-N 3.34Å; V754-I756 HydrophobicContact CB-CD1 4.36Å; V754-I756 HydrophobicContact CG1-CD1 3.67Å; V754-I756 HydrophobicContact CG1-CG1 3.83Å; V754-I756 PolarHBondContact O-N 3.36Å; I756-G900 VanDerWaalsContact CG2-CA 3.5Å; I756-L903 HydrophobicContact CD1-CB 3.52Å; I756-L903 HydrophobicContact CD1-CD1 4.16Å; I756-L903 HydrophobicContact CD1-CG 4.49Å
757	P	73.1	Confident	80.4	Confident	43 Å²	43	73.5 Å²	73.5	28%	0.279	41%	0.411	S	S	.	.			trans	-60.8	143.5	175.5	24.7	-32.3	0	0	0	110.3	T564 Q761 V762	T564-P757 HydrophobicContact CG2-CG 4.36Å; P757-Q761 HydrophobicContact CB-CB 4.09Å; P757-V762 HydrophobicContact CG-CG2 4.31Å
758	P	73.9	Confident	80.5	Confident	52 Å²	52	67.6 Å²	67.6	34%	0.338	40%	0.396	S	S	.	.			trans	-57.4	154.3	171.3	25.5	-33.4	0	0	0	109.9	N760 Q761	P758-N760 PolarHBondContact O-N 3.02Å; P758-Q761 HydrophobicContact CG-CB 4.21Å; P758-Q761 HydrophobicContact CG-CG 4.03Å; P758-Q761 PolarHBondContact O-N 3.04Å
759	S	75.6	Confident	80.5	Confident	47 Å²	47	65.5 Å²	65.5	33%	0.329	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-46.9	-32.6	-173.7	52	0	0	0	0	114.5	Q761	S759-Q761 VanDerWaalsContact C-N 3.34Å
760	N	77.3	Confident	80.6	Confident	151 Å²	151	63.4 Å²	63.4	81%	0.807	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-79.1	-16	-176.5	-58.3	4.2	0	0	0	113.5	P758	P758-N760 PolarHBondContact O-N 3.02Å
761	Q	79.6	Confident	80.7	Confident	138 Å²	138	57.3 Å²	57.3	65%	0.645	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-109.5	9.9	-177.5	-65	178.8	-2.9	0	0	112.3	P757 P758 S759 N763	P757-Q761 HydrophobicContact CB-CB 4.09Å; P758-Q761 HydrophobicContact CG-CB 4.21Å; P758-Q761 HydrophobicContact CG-CG 4.03Å; P758-Q761 PolarHBondContact O-N 3.04Å; S759-Q761 VanDerWaalsContact C-N 3.34Å; Q761-N763 PolarHBondContact O-N 3.09Å; Q761-N763 VanDerWaalsContact O-N 3.11Å
762	V	75.5	Confident	80.7	Confident	28 Å²	28	60.9 Å²	60.9	17%	0.17	35%	0.353	C	S	.	.			trans	-73.2	107.4	-179.9	-175.9	0	0	0	0	109.3	T564 P757 A764 W767 I897	T564-V762 HydrophobicContact CG2-CG1 4.4Å; P757-V762 HydrophobicContact CG-CG2 4.31Å; V762-A764 PolarHBondContact O-N 2.97Å; V762-W767 HydrophobicContact CG1-CZ2 3.54Å; V762-I897 HydrophobicContact CG1-CG2 4.14Å
763	N	81.4	Confident	80.8	Confident	93 Å²	93	63.8 Å²	63.8	50%	0.497	36%	0.36	S	S	.	.			trans	-82.7	104.9	178	-171.1	-2.2	0	0	0	110.4	Q761 S765 T766	Q761-N763 PolarHBondContact O-N 3.09Å; Q761-N763 VanDerWaalsContact O-N 3.11Å; N763-S765 PolarHBondContact ND2-OG 3.08Å; N763-S765 PolarHBondContact O-N 3.23Å; N763-S765 VanDerWaalsContact O-N 3.16Å; N763-S765 PolarHBondContact OD1-N 3.29Å; N763-S765 PolarHBondContact OD1-OG 2.78Å; N763-T766 HydrophobicContact CB-CG2 4.14Å; N763-T766 PolarHBondContact O-N 3.37Å; N763-T766 PolarHBondContact O-OG1 3.48Å
764	A	82.1	Confident	80.7	Confident	58 Å²	58	66.7 Å²	66.7	48%	0.479	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-60.2	-24	-179	0	0	0	0	0	113.5	V762 T766 W767	V762-A764 PolarHBondContact O-N 2.97Å; A764-T766 PolarHBondContact O-N 3Å; A764-W767 HydrophobicContact CB-CD2 4.38Å; A764-W767 HydrophobicContact CB-CE3 4.31Å; A764-W767 WeakPolarHBondContact O-CB 2.93Å; A764-W767 PolarHBondContact O-N 3.34Å; A764-W767 VanDerWaalsContact O-N 3.11Å
765	S	82.9	Confident	81	Confident	82 Å²	82	73.2 Å²	73.2	57%	0.573	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-62.7	-24.6	175.1	63.5	0	0	0	0	113	N763 W767	N763-S765 PolarHBondContact ND2-OG 3.08Å; N763-S765 PolarHBondContact O-N 3.23Å; N763-S765 VanDerWaalsContact O-N 3.16Å; N763-S765 PolarHBondContact OD1-N 3.29Å; N763-S765 PolarHBondContact OD1-OG 2.78Å; S765-W767 VanDerWaalsContact C-N 3.26Å; S765-W767 PolarHBondContact O-N 3.08Å
766	T	81.8	Confident	81.3	Confident	40 Å²	40	67.9 Å²	67.9	25%	0.245	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-81.4	-2.6	178.3	67.2	0	0	0	0	113.6	L565 N763 A764	L565-T766 WeakPolarHBondContact CD1-O 3.34Å; N763-T766 HydrophobicContact CB-CG2 4.14Å; N763-T766 PolarHBondContact O-N 3.37Å; N763-T766 PolarHBondContact O-OG1 3.48Å; A764-T766 PolarHBondContact O-N 3Å
767	W	84.1	Confident	81.6	Confident	58 Å²	58	74.8 Å²	74.8	22%	0.22	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-83.6	-14.2	-178.4	-65.8	-1.8	0	0	0	113.4	L565 L568 V762 A764 S765 W844 I897	L565-W767 WeakPolarHBondContact CD1-O 3.42Å; L568-W767 HydrophobicContact CD2-CB 3.95Å; L568-W767 HydrophobicContact CD2-CD2 3.85Å; L568-W767 HydrophobicContact CD2-CE3 3.64Å; L568-W767 HydrophobicContact CD2-CG 4.04Å; L568-W767 HydrophobicContact CD2-CZ3 4.36Å; V762-W767 HydrophobicContact CG1-CZ2 3.54Å; A764-W767 HydrophobicContact CB-CD2 4.38Å; A764-W767 HydrophobicContact CB-CE3 4.31Å; A764-W767 WeakPolarHBondContact O-CB 2.93Å; A764-W767 PolarHBondContact O-N 3.34Å; A764-W767 VanDerWaalsContact O-N 3.11Å; S765-W767 VanDerWaalsContact C-N 3.26Å; S765-W767 PolarHBondContact O-N 3.08Å; W767-W844 PolarHBondContact O-NE1 3.13Å; W767-I897 HydrophobicContact CZ2-CG2 4.02Å
768	V	87.3	Confident	82	Confident	68 Å²	68	77.5 Å²	77.5	41%	0.412	42%	0.422	S	S	.	.			trans	-134.1	120.3	174.1	-169.1	0	0	0	0	107	P770 T842	V768-P770 VanDerWaalsContact C-CD 3.43Å; V768-P770 VanDerWaalsContact O-CD 3.26Å; V768-P770 WeakPolarHBondContact O-CD 3.4Å; V768-T842 HydrophobicContact CG1-CG2 4.4Å; V768-T842 WeakPolarHBondContact CG1-O 3.46Å
769	N	85.9	Confident	82.4	Confident	28 Å²	28	75.8 Å²	75.8	15%	0.15	41%	0.409	C	S	.	.			trans	-117.7	71.5	179.7	-69	-29.4	0	0	0	108.4	S560 T842 G843	S560-N769 PolarHBondContact O-ND2 2.7Å; N769-T842 CarbonylContact C-O 3.5Å; N769-T842 PolarHBondContact N-O 3.49Å; N769-G843 WeakPolarHBondContact O-CA 3.39Å
770	P	86.9	Confident	82.3	Confident	56 Å²	56	78.7 Å²	78.7	36%	0.364	43%	0.43	S	S	.	.			trans	-66.4	153.4	-177.8	30.6	-33.4	0	0	0	110.8	V768 F773 I841	V768-P770 VanDerWaalsContact C-CD 3.43Å; V768-P770 VanDerWaalsContact O-CD 3.26Å; V768-P770 WeakPolarHBondContact O-CD 3.4Å; P770-F773 HydrophobicContact CB-CE2 4.06Å; P770-I841 WeakPolarHBondContact CA-O 3.18Å; P770-I841 WeakPolarHBondContact CB-O 3.46Å
771	P	85.9	Confident	82.2	Confident	4 Å²	4	81.1 Å²	81.1	3%	0.026	43%	0.433	C	S	.	.			trans	-67.7	150.1	166.7	30.8	-34.4	0	0	0	109.9	K613 F617 F773 L776	K613-P771 HydrophobicContact CB-CB 4.29Å; F617-P771 HydrophobicContact CB-CB 4.45Å; F617-P771 HydrophobicContact CB-CG 4.16Å; F617-P771 HydrophobicContact CD2-CG 3.94Å; F617-P771 HydrophobicContact CG-CG 4.2Å; P771-F773 HydrophobicContact CG-CE1 4.2Å; P771-F773 HydrophobicContact CG-CZ 4.16Å; P771-F773 WeakPolarHBondContact O-CD2 3.24Å; P771-F773 PolarHBondContact O-N 3.4Å; P771-L776 HydrophobicContact CB-CD2 4.07Å; P771-L776 HydrophobicContact CG-CD2 4.39Å
772	D	85.5	Confident	82.1	Confident	84 Å²	84	75.4 Å²	75.4	45%	0.449	41%	0.409	S	S	.	.			trans	-67.8	96.6	173.3	-76.4	-13.6	0	0	0	109.7	S774 R775 L776	D772-S774 PolarHBondContact O-N 3.13Å; D772-S774 VanDerWaalsContact O-N 3.14Å; D772-R775 HydrophobicContact CB-CB 4.17Å; D772-R775 PolarHBondContact O-N 3.23Å; D772-R775 IonicContact OD2-NH1 3.95Å; D772-L776 PolarHBondContact O-N 2.49Å
773	F	85.1	Confident	82.6	Confident	115 Å²	115	76.5 Å²	76.5	50%	0.504	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-57.3	-30.3	-175.1	-69.5	-77.1	0	0	0	113.8	F617 P770 P771 R775 L776 I841	F617-F773 HydrophobicContact CE2-CE1 4.24Å; P770-F773 HydrophobicContact CB-CE2 4.06Å; P771-F773 HydrophobicContact CG-CE1 4.2Å; P771-F773 HydrophobicContact CG-CZ 4.16Å; P771-F773 WeakPolarHBondContact O-CD2 3.24Å; P771-F773 PolarHBondContact O-N 3.4Å; F773-R775 VanDerWaalsContact C-N 3.33Å; F773-L776 HydrophobicContact CB-CD1 4.33Å; F773-L776 HydrophobicContact CD1-CD1 3.68Å; F773-L776 HydrophobicContact CE1-CD1 4.46Å; F773-L776 HydrophobicContact CG-CD1 4.41Å; F773-I841 HydrophobicContact CZ-CG2 4.34Å
774	S	84.9	Confident	82.9	Confident	107 Å²	107	75.6 Å²	75.6	75%	0.748	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-70.9	-26.4	176.6	53.2	0	0	0	0	113.6	D772	D772-S774 PolarHBondContact O-N 3.13Å; D772-S774 VanDerWaalsContact O-N 3.14Å
775	R	81.8	Confident	83.2	Confident	142 Å²	142	78.3 Å²	78.3	54%	0.536	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-105.5	11.3	-176.6	-67.3	-179.9	174	165.6	-2.9	113	Q614 D772 F773 Q777 D778	Q614-R775 PolarHBondContact NE2-O 2.96Å; D772-R775 HydrophobicContact CB-CB 4.17Å; D772-R775 PolarHBondContact O-N 3.23Å; D772-R775 IonicContact OD2-NH1 3.95Å; F773-R775 VanDerWaalsContact C-N 3.33Å; R775-Q777 PolarHBondContact O-N 3.17Å; R775-Q777 VanDerWaalsContact O-N 3.12Å; R775-D778 HydrophobicContact CB-CB 4.27Å; R775-D778 PolarHBondContact O-N 2.64Å
776	L	81.5	Confident	83.5	Confident	21 Å²	21	79.1 Å²	79.1	11%	0.11	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-24.4	-176.4	-79	173.3	0	0	0	114.3	F617 W618 P771 D772 F773 Y779	F617-L776 HydrophobicContact CB-CD2 4.48Å; F617-L776 HydrophobicContact CD1-CD1 4.39Å; F617-L776 HydrophobicContact CD1-CD2 3.77Å; F617-L776 HydrophobicContact CE1-CD1 4.03Å; F617-L776 HydrophobicContact CE1-CD2 4.25Å; F617-L776 HydrophobicContact CG-CD2 4.15Å; F617-L776 HydrophobicContact CZ-CD1 4.36Å; W618-L776 PolarHBondContact NE1-O 2.91Å; P771-L776 HydrophobicContact CB-CD2 4.07Å; P771-L776 HydrophobicContact CG-CD2 4.39Å; D772-L776 PolarHBondContact O-N 2.49Å; F773-L776 HydrophobicContact CB-CD1 4.33Å; F773-L776 HydrophobicContact CD1-CD1 3.68Å; F773-L776 HydrophobicContact CE1-CD1 4.46Å; F773-L776 HydrophobicContact CG-CD1 4.41Å; L776-Y779 VanDerWaalsContact O-CE1 3.27Å; L776-Y779 WeakPolarHBondContact O-CE1 3.27Å; L776-Y779 PolarHBondContact O-OH 3.06Å
777	Q	80.6	Confident	83.9	Confident	156 Å²	156	77.2 Å²	77.2	73%	0.729	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-5.4	177.9	-62.7	-177.3	-6.9	0	0	112.7	R775 Y779	R775-Q777 PolarHBondContact O-N 3.17Å; R775-Q777 VanDerWaalsContact O-N 3.12Å; Q777-Y779 WeakPolarHBondContact O-CD2 3.37Å; Q777-Y779 PolarHBondContact O-N 3.13Å; Q777-Y779 VanDerWaalsContact O-N 3.12Å
778	D	81.8	Confident	84.3	Confident	100 Å²	100	76.6 Å²	76.6	54%	0.535	42%	0.416	S	S	.	.			trans	-87.5	82.5	-177.6	-70.7	-17.4	0	0	0	110.4	R775 S780	R775-D778 HydrophobicContact CB-CB 4.27Å; R775-D778 PolarHBondContact O-N 2.64Å; D778-S780 PolarHBondContact O-N 3.15Å; D778-S780 VanDerWaalsContact O-N 3.14Å
779	Y	82.5	Confident	84.5	Confident	15 Å²	15	75.1 Å²	75.1	6%	0.059	42%	0.415	C	S	.	.			trans	-82.2	18.3	-176.2	-61.8	-48.4	0	0	0	115.3	V610 W618 L776 Q777 K781 A782 P784 I787 H788	V610-Y779 HydrophobicContact CG1-CD1 4.44Å; W618-Y779 AromaticContact NE1-CE1 3.97Å; W618-Y779 AromaticContact NE1-CZ 3.95Å; W618-Y779 PolarHBondContact NE1-OH 3.34Å; L776-Y779 VanDerWaalsContact O-CE1 3.27Å; L776-Y779 WeakPolarHBondContact O-CE1 3.27Å; L776-Y779 PolarHBondContact O-OH 3.06Å; Q777-Y779 WeakPolarHBondContact O-CD2 3.37Å; Q777-Y779 PolarHBondContact O-N 3.13Å; Q777-Y779 VanDerWaalsContact O-N 3.12Å; Y779-K781 PolarHBondContact O-N 3.37Å; Y779-A782 PolarHBondContact O-N 3.49Å; Y779-A782 VanDerWaalsContact O-N 3.11Å; Y779-P784 HydrophobicContact CD2-CB 3.81Å; Y779-P784 HydrophobicContact CD2-CG 3.9Å; Y779-P784 HydrophobicContact CE2-CB 3.78Å; Y779-P784 HydrophobicContact CE2-CG 4.3Å; Y779-I787 HydrophobicContact CD1-CD1 3.37Å; Y779-I787 HydrophobicContact CD1-CG2 4.14Å; Y779-I787 HydrophobicContact CD2-CD1 3.94Å; Y779-I787 HydrophobicContact CE1-CD1 4.16Å; Y779-I787 HydrophobicContact CE1-CG2 3.91Å; Y779-I787 HydrophobicContact CG-CD1 3.23Å; Y779-H788 AromaticContact CE2-NE2 3.92Å; Y779-H788 AromaticContact CZ-NE2 3.74Å; Y779-H788 PolarHBondContact OH-CE1 2.86Å; Y779-H788 PolarHBondContact OH-NE2 3.42Å
780	S	73.2	Confident	84.7	Confident	109 Å²	109	75.6 Å²	75.6	76%	0.762	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	-86.4	-174.9	-170.7	0	0	0	0	113.4	D778	D778-S780 PolarHBondContact O-N 3.15Å; D778-S780 VanDerWaalsContact O-N 3.14Å
781	K	74.9	Confident	84.9	Confident	202 Å²	202	73 Å²	73	88%	0.878	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.5	-11.2	-173.5	-65.5	-177.2	-179.7	-179.2	0	114.6	Y779	Y779-K781 PolarHBondContact O-N 3.37Å
782	A	78.9	Confident	85.3	Confident	18 Å²	18	75.8 Å²	75.8	15%	0.149	42%	0.416	C	S	.	.	S	Bend	trans	-92.9	142.6	-173.5	0	0	0	0	0	111.5	V610 Y779 I787	V610-A782 HydrophobicContact CG2-CB 4.21Å; Y779-A782 PolarHBondContact O-N 3.49Å; Y779-A782 VanDerWaalsContact O-N 3.11Å; A782-I787 HydrophobicContact CB-CD1 3.74Å; A782-I787 HydrophobicContact CB-CG1 4.12Å
783	A	86.1	Confident	85.5	Confident	51 Å²	51	74.8 Å²	74.8	42%	0.421	42%	0.419	S	S	.	.			trans	-60.1	129.1	177.7	0	0	0	0	0	109.9	T785 L786 I787	A783-T785 PolarHBondContact O-N 3.01Å; A783-T785 VanDerWaalsContact O-N 3.12Å; A783-L786 HydrophobicContact CB-CB 4.31Å; A783-L786 WeakPolarHBondContact O-CB 3.37Å; A783-L786 PolarHBondContact O-N 3.02Å; A783-I787 PolarHBondContact O-N 3.33Å
784	P	86.9	Confident	85.8	Confident	73 Å²	73	69.8 Å²	69.8	47%	0.474	40%	0.398	S	S	.	.	H	α-helix	trans	-52	-38.2	178	-25.9	30.4	0	0	0	112.7	Y779 L786 I787 H788	Y779-P784 HydrophobicContact CD2-CB 3.81Å; Y779-P784 HydrophobicContact CD2-CG 3.9Å; Y779-P784 HydrophobicContact CE2-CB 3.78Å; Y779-P784 HydrophobicContact CE2-CG 4.3Å; P784-L786 PolarHBondContact O-N 2.91Å; P784-I787 PolarHBondContact O-N 3.2Å; P784-H788 PolarHBondContact O-CD2 3.45Å; P784-H788 PolarHBondContact O-N 3.36Å
785	T	89.3	Confident	86.1	Confident	115 Å²	115	64.7 Å²	64.7	71%	0.706	36%	0.362	S	S	*	.	H	α-helix	trans	-61.6	-40.1	178.7	51.1	0	0	0	0	112.8	A783 G789	A783-T785 PolarHBondContact O-N 3.01Å; A783-T785 VanDerWaalsContact O-N 3.12Å; T785-G789 WeakPolarHBondContact O-CA 3.16Å; T785-G789 PolarHBondContact O-N 2.88Å
786	L	88.8	Confident	86.6	Confident	99 Å²	99	59.9 Å²	59.9	52%	0.518	35%	0.349	S	S	.	.	H	α-helix	trans	-66.9	-39.6	177.5	-177.2	65.8	0	0	0	111	A783 P784 G789 T790	A783-L786 HydrophobicContact CB-CB 4.31Å; A783-L786 WeakPolarHBondContact O-CB 3.37Å; A783-L786 PolarHBondContact O-N 3.02Å; P784-L786 PolarHBondContact O-N 2.91Å; L786-G789 PolarHBondContact O-N 2.95Å; L786-T790 HydrophobicContact CD1-CG2 4.38Å; L786-T790 WeakPolarHBondContact O-CB 3.21Å; L786-T790 VanDerWaalsContact O-CG2 3.28Å; L786-T790 WeakPolarHBondContact O-CG2 3.43Å; L786-T790 PolarHBondContact O-N 2.72Å; L786-T790 PolarHBondContact O-OG1 2.99Å
787	I	90.1	Very high	87	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.005	35%	0.35	C	S	.	.	H	α-helix	trans	-71.6	-48.1	-178.5	-65	165.3	0	0	0	110.9	V610 L615 Y779 A782 A783 P784 G789 T790 S791	V610-I787 HydrophobicContact CG2-CD1 3.45Å; V610-I787 VanDerWaalsContact CG2-CD1 3.45Å; V610-I787 HydrophobicContact CG2-CG1 3.94Å; L615-I787 HydrophobicContact CD1-CG2 4.31Å; Y779-I787 HydrophobicContact CD1-CD1 3.37Å; Y779-I787 HydrophobicContact CD1-CG2 4.14Å; Y779-I787 HydrophobicContact CD2-CD1 3.94Å; Y779-I787 HydrophobicContact CE1-CD1 4.16Å; Y779-I787 HydrophobicContact CE1-CG2 3.91Å; Y779-I787 HydrophobicContact CG-CD1 3.23Å; A782-I787 HydrophobicContact CB-CD1 3.74Å; A782-I787 HydrophobicContact CB-CG1 4.12Å; A783-I787 PolarHBondContact O-N 3.33Å; P784-I787 PolarHBondContact O-N 3.2Å; I787-G789 VanDerWaalsContact C-N 3.31Å; I787-G789 PolarHBondContact O-N 3.49Å; I787-T790 WeakPolarHBondContact CA-OG1 3.33Å; I787-T790 PolarHBondContact O-N 3.42Å; I787-T790 PolarHBondContact O-OG1 3.34Å; I787-S791 WeakPolarHBondContact O-CB 3.47Å; I787-S791 PolarHBondContact O-N 2.97Å; I787-S791 PolarHBondContact O-OG 2.93Å
788	H	92.4	Very high	87.6	Confident	44 Å²	44	52.3 Å²	52.3	20%	0.204	32%	0.315	C	S	.	.	H	α-helix	trans	-63	-40.3	174.5	-73.6	-70.7	0	0	0	110.8	W618 Y622 Y779 P784 S791 I792	W618-H788 AromaticContact CD2-CE1 3.63Å; W618-H788 AromaticContact CD2-ND1 3.98Å; W618-H788 AromaticContact CE2-CE1 3.56Å; W618-H788 AromaticContact CE3-CE1 3.75Å; W618-H788 AromaticContact CE3-ND1 3.97Å; W618-H788 AromaticContact CH2-CE1 3.79Å; W618-H788 AromaticContact CZ2-CE1 3.65Å; W618-H788 AromaticContact CZ3-CE1 3.83Å; Y622-H788 AromaticContact CE2-ND1 3.92Å; Y622-H788 AromaticContact CZ-ND1 3.79Å; Y622-H788 PolarHBondContact OH-ND1 3Å; Y779-H788 AromaticContact CE2-NE2 3.92Å; Y779-H788 AromaticContact CZ-NE2 3.74Å; Y779-H788 PolarHBondContact OH-CE1 2.86Å; Y779-H788 PolarHBondContact OH-NE2 3.42Å; P784-H788 PolarHBondContact O-CD2 3.45Å; P784-H788 PolarHBondContact O-N 3.36Å; H788-S791 PolarHBondContact O-N 3.28Å; H788-I792 WeakPolarHBondContact O-CB 3.34Å; H788-I792 WeakPolarHBondContact O-CD1 3.27Å; H788-I792 WeakPolarHBondContact O-CG1 3.42Å; H788-I792 PolarHBondContact O-N 3.42Å
789	G	92.1	Very high	88.1	Confident	38 Å²	38	47.5 Å²	47.5	39%	0.392	29%	0.29	S	S	.	.	H	α-helix	trans	-61.7	-46.3	176.2	0	0	0	0	0	113.7	T785 L786 I787 I792 A793	T785-G789 WeakPolarHBondContact O-CA 3.16Å; T785-G789 PolarHBondContact O-N 2.88Å; L786-G789 PolarHBondContact O-N 2.95Å; I787-G789 VanDerWaalsContact C-N 3.31Å; I787-G789 PolarHBondContact O-N 3.49Å; G789-I792 PolarHBondContact O-N 3.01Å; G789-A793 PolarHBondContact O-N 3.44Å
790	T	88.8	Confident	88.4	Confident	38 Å²	38	48.5 Å²	48.5	23%	0.233	30%	0.296	C	S	.	.	H	α-helix	trans	-66.9	-40.8	175.4	50.1	0	0	0	0	111.8	L786 I787 I792 A793 I794	L786-T790 HydrophobicContact CD1-CG2 4.38Å; L786-T790 WeakPolarHBondContact O-CB 3.21Å; L786-T790 VanDerWaalsContact O-CG2 3.28Å; L786-T790 WeakPolarHBondContact O-CG2 3.43Å; L786-T790 PolarHBondContact O-N 2.72Å; L786-T790 PolarHBondContact O-OG1 2.99Å; I787-T790 WeakPolarHBondContact CA-OG1 3.33Å; I787-T790 PolarHBondContact O-N 3.42Å; I787-T790 PolarHBondContact O-OG1 3.34Å; T790-I792 VanDerWaalsContact C-N 3.33Å; T790-I792 PolarHBondContact O-N 2.96Å; T790-A793 PolarHBondContact O-N 2.94Å; T790-I794 WeakPolarHBondContact O-CG1 3.43Å; T790-I794 PolarHBondContact O-N 3.34Å
791	S	91.5	Very high	89.3	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.4	-36.9	174.9	-57.3	0	0	0	0	112.3	L615 I787 H788 G795	L615-S791 WeakPolarHBondContact CD1-OG 3.3Å; I787-S791 WeakPolarHBondContact O-CB 3.47Å; I787-S791 PolarHBondContact O-N 2.97Å; I787-S791 PolarHBondContact O-OG 2.93Å; H788-S791 PolarHBondContact O-N 3.28Å; S791-G795 WeakPolarHBondContact O-CA 3.21Å; S791-G795 PolarHBondContact O-N 3.46Å
792	I	93.8	Very high	90.1	Very high	64 Å²	64	33.8 Å²	33.8	33%	0.328	22%	0.218	S	C	.	.	H	α-helix	trans	-64.3	-48.3	173	-74.3	163.9	0	0	0	109.8	Y622 F626 H788 G789 T790 I794 G795 V796	Y622-I792 HydrophobicContact CD1-CD1 4.43Å; Y622-I792 HydrophobicContact CD1-CG1 3.61Å; Y622-I792 HydrophobicContact CD2-CB 4.49Å; Y622-I792 HydrophobicContact CD2-CG1 3.7Å; Y622-I792 HydrophobicContact CE1-CD1 3.99Å; Y622-I792 HydrophobicContact CE1-CG1 3.59Å; Y622-I792 HydrophobicContact CE2-CD1 4.45Å; Y622-I792 HydrophobicContact CE2-CG1 3.69Å; Y622-I792 HydrophobicContact CG-CG1 3.68Å; F626-I792 HydrophobicContact CE2-CG2 4.2Å; F626-I792 HydrophobicContact CZ-CG2 4.42Å; H788-I792 WeakPolarHBondContact O-CB 3.34Å; H788-I792 WeakPolarHBondContact O-CD1 3.27Å; H788-I792 WeakPolarHBondContact O-CG1 3.42Å; H788-I792 PolarHBondContact O-N 3.42Å; G789-I792 PolarHBondContact O-N 3.01Å; T790-I792 VanDerWaalsContact C-N 3.33Å; T790-I792 PolarHBondContact O-N 2.96Å; I792-I794 PolarHBondContact O-N 3.44Å; I792-G795 PolarHBondContact O-N 3.35Å; I792-V796 HydrophobicContact CG2-CG2 4.38Å; I792-V796 VanDerWaalsContact O-CG2 3.29Å; I792-V796 WeakPolarHBondContact O-CG2 3.35Å; I792-V796 PolarHBondContact O-N 3.41Å
793	A	90.7	Very high	90.7	Very high	62 Å²	62	33.5 Å²	33.5	51%	0.512	21%	0.214	S	C	.	.	H	α-helix	trans	-60	-45.7	-180	0	0	0	0	0	112.1	G789 T790 A797	G789-A793 PolarHBondContact O-N 3.44Å; T790-A793 PolarHBondContact O-N 2.94Å; A793-A797 PolarHBondContact O-N 2.98Å; A793-A797 VanDerWaalsContact O-N 3.1Å
794	I	90.5	Very high	90.8	Very high	10 Å²	10	31.6 Å²	31.6	5%	0.051	20%	0.197	C	C	.	.	H	α-helix	trans	-67.3	-40.4	176	-62.3	170	0	0	0	110.6	V597 L601 V604 T790 I792 V796 A797 L798 L987	V597-I794 HydrophobicContact CG1-CG2 4.38Å; L601-I794 HydrophobicContact CD2-CD1 3.89Å; L601-I794 HydrophobicContact CD2-CG2 3.97Å; L601-I794 HydrophobicContact CG-CG2 4.27Å; V604-I794 HydrophobicContact CG2-CD1 4.19Å; T790-I794 WeakPolarHBondContact O-CG1 3.43Å; T790-I794 PolarHBondContact O-N 3.34Å; I792-I794 PolarHBondContact O-N 3.44Å; I794-V796 PolarHBondContact O-N 3.07Å; I794-A797 PolarHBondContact O-N 2.91Å; I794-L798 WeakPolarHBondContact O-CB 3.42Å; I794-L798 PolarHBondContact O-N 3.3Å; I794-L987 HydrophobicContact CG1-CD1 4.23Å
795	G	92.7	Very high	91	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62	-40.3	177.1	0	0	0	0	0	113.2	S791 I792 L798 A799	S791-G795 WeakPolarHBondContact O-CA 3.21Å; S791-G795 PolarHBondContact O-N 3.46Å; I792-G795 PolarHBondContact O-N 3.35Å; G795-L798 PolarHBondContact O-N 3.33Å; G795-A799 WeakPolarHBondContact O-CB 3.46Å; G795-A799 PolarHBondContact O-N 3.22Å
796	V	91.6	Very high	91	Very high	42 Å²	42	22.9 Å²	22.9	26%	0.255	14%	0.142	S	C	.	.	H	α-helix	trans	-63.9	-47.5	172.9	172.3	0	0	0	0	110.7	F626 I792 I794 L798 A799 I800	F626-V796 HydrophobicContact CD1-CG2 4.13Å; F626-V796 HydrophobicContact CD2-CG2 3.56Å; F626-V796 HydrophobicContact CE1-CG2 3.76Å; F626-V796 HydrophobicContact CE2-CB 4.49Å; F626-V796 HydrophobicContact CE2-CG2 3.18Å; F626-V796 HydrophobicContact CG-CG2 4.05Å; F626-V796 HydrophobicContact CZ-CG2 3.28Å; I792-V796 HydrophobicContact CG2-CG2 4.38Å; I792-V796 VanDerWaalsContact O-CG2 3.29Å; I792-V796 WeakPolarHBondContact O-CG2 3.35Å; I792-V796 PolarHBondContact O-N 3.41Å; I794-V796 PolarHBondContact O-N 3.07Å; V796-L798 VanDerWaalsContact C-N 3.31Å; V796-L798 PolarHBondContact O-N 2.62Å; V796-A799 PolarHBondContact O-N 2.99Å; V796-I800 HydrophobicContact CG1-CD1 3.92Å; V796-I800 WeakPolarHBondContact O-CG1 3.41Å; V796-I800 PolarHBondContact O-N 3.13Å
797	A	90.1	Very high	91.1	Very high	16 Å²	16	18.3 Å²	18.3	13%	0.132	12%	0.119	C	C	.	.	H	α-helix	trans	-59.2	-45.4	177.6	0	0	0	0	0	110.8	A793 I794 A799 I800 I801 L987	A793-A797 PolarHBondContact O-N 2.98Å; A793-A797 VanDerWaalsContact O-N 3.1Å; I794-A797 PolarHBondContact O-N 2.91Å; A797-A799 PolarHBondContact O-N 2.89Å; A797-I800 PolarHBondContact O-N 3.36Å; A797-I801 WeakPolarHBondContact O-CD1 3.36Å; A797-I801 WeakPolarHBondContact O-CG1 3.4Å; A797-I801 PolarHBondContact O-N 2.92Å; A797-L987 HydrophobicContact CB-CB 4.44Å
798	L	92.1	Very high	91	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-60.8	-43.6	176.5	-176.1	58.2	0	0	0	112.2	M594 V597 C623 I794 G795 V796 I800 I801 I802 F846	M594-L798 HydrophobicContact CE-CD1 3.76Å; M594-L798 HydrophobicContact SD-CD1 3.85Å; V597-L798 HydrophobicContact CG1-CD1 4.19Å; V597-L798 HydrophobicContact CG2-CD1 4.2Å; C623-L798 HydrophobicContact CB-CB 4.4Å; C623-L798 HydrophobicContact CB-CD2 3.99Å; C623-L798 HydrophobicContact CB-CG 4.26Å; I794-L798 WeakPolarHBondContact O-CB 3.42Å; I794-L798 PolarHBondContact O-N 3.3Å; G795-L798 PolarHBondContact O-N 3.33Å; V796-L798 VanDerWaalsContact C-N 3.31Å; V796-L798 PolarHBondContact O-N 2.62Å; L798-I800 PolarHBondContact O-N 3.07Å; L798-I801 WeakPolarHBondContact O-CB 3.39Å; L798-I801 PolarHBondContact O-N 3.38Å; L798-I802 HydrophobicContact CD1-CD1 3.78Å; L798-I802 HydrophobicContact CD1-CG1 4Å; L798-I802 HydrophobicContact CG-CD1 3.81Å; L798-I802 HydrophobicContact CG-CG1 4.39Å; L798-I802 VanDerWaalsContact O-CG1 3.31Å; L798-I802 WeakPolarHBondContact O-CG1 3.49Å; L798-I802 PolarHBondContact O-N 2.89Å; L798-F846 HydrophobicContact CD2-CD1 4.16Å; L798-F846 HydrophobicContact CD2-CD2 4.16Å; L798-F846 HydrophobicContact CD2-CE1 3.99Å; L798-F846 HydrophobicContact CD2-CE2 4Å; L798-F846 HydrophobicContact CD2-CG 4.26Å; L798-F846 HydrophobicContact CD2-CZ 3.92Å
799	A	92.5	Very high	90.9	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.2	-43.1	176.5	0	0	0	0	0	112.1	F626 F630 G795 V796 A797 F803	F626-A799 HydrophobicContact CB-CB 3.83Å; F630-A799 HydrophobicContact CE2-CB 4.19Å; G795-A799 WeakPolarHBondContact O-CB 3.46Å; G795-A799 PolarHBondContact O-N 3.22Å; V796-A799 PolarHBondContact O-N 2.99Å; A797-A799 PolarHBondContact O-N 2.89Å; A799-F803 VanDerWaalsContact O-CB 3.24Å; A799-F803 WeakPolarHBondContact O-CB 3.21Å; A799-F803 PolarHBondContact O-N 3.47Å
800	I	90.3	Very high	90.7	Very high	35 Å²	35	14.5 Å²	14.5	18%	0.179	9%	0.091	C	C	.	.	H	α-helix	trans	-65.2	-40.8	176.2	-64.7	168.2	0	0	0	111.1	F630 V796 A797 L798 T804 P990	F630-I800 HydrophobicContact CE2-CG1 4.48Å; F630-I800 HydrophobicContact CZ-CG1 4.23Å; V796-I800 HydrophobicContact CG1-CD1 3.92Å; V796-I800 WeakPolarHBondContact O-CG1 3.41Å; V796-I800 PolarHBondContact O-N 3.13Å; A797-I800 PolarHBondContact O-N 3.36Å; L798-I800 PolarHBondContact O-N 3.07Å; I800-T804 WeakPolarHBondContact O-CB 3.35Å; I800-T804 PolarHBondContact O-N 3.47Å; I800-T804 PolarHBondContact O-OG1 2.83Å; I800-P990 HydrophobicContact CG2-CB 4.22Å
801	I	90.9	Very high	90.6	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-58.5	-58.2	175.4	-68.5	162.1	0	0	0	109.7	P593 M594 V597 A797 L798 F803 T804 E805 F989 P990	P593-I801 HydrophobicContact CB-CG2 3.71Å; M594-I801 HydrophobicContact CE-CB 4.16Å; M594-I801 HydrophobicContact CE-CG2 3.24Å; V597-I801 HydrophobicContact CG2-CD1 3.49Å; V597-I801 VanDerWaalsContact CG2-CD1 3.49Å; A797-I801 WeakPolarHBondContact O-CD1 3.36Å; A797-I801 WeakPolarHBondContact O-CG1 3.4Å; A797-I801 PolarHBondContact O-N 2.92Å; L798-I801 WeakPolarHBondContact O-CB 3.39Å; L798-I801 PolarHBondContact O-N 3.38Å; I801-F803 VanDerWaalsContact C-N 3.28Å; I801-F803 PolarHBondContact O-N 3.27Å; I801-T804 PolarHBondContact O-N 3.31Å; I801-T804 VanDerWaalsContact O-N 3.08Å; I801-E805 HydrophobicContact CG2-CG 4.16Å; I801-E805 WeakPolarHBondContact O-CG 3.38Å; I801-E805 PolarHBondContact O-N 3.14Å; I801-F989 HydrophobicContact CD1-CZ 4.39Å; I801-F989 HydrophobicContact CG1-CZ 4.22Å; I801-F989 HydrophobicContact CG2-CZ 4.45Å; I801-P990 HydrophobicContact CB-CG 4.29Å; I801-P990 HydrophobicContact CD1-CG 3.88Å; I801-P990 HydrophobicContact CG1-CB 3.85Å; I801-P990 HydrophobicContact CG1-CG 3.12Å
802	I	92.3	Very high	90.3	Very high	1 Å²	1	13 Å²	13	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-61.7	-40.3	-174.9	-66	173.8	0	0	0	110	M594 L798 T804 A806 L831 Q832 P836	M594-I802 HydrophobicContact CE-CG1 4.02Å; M594-I802 HydrophobicContact SD-CG1 4.23Å; L798-I802 HydrophobicContact CD1-CD1 3.78Å; L798-I802 HydrophobicContact CD1-CG1 4Å; L798-I802 HydrophobicContact CG-CD1 3.81Å; L798-I802 HydrophobicContact CG-CG1 4.39Å; L798-I802 VanDerWaalsContact O-CG1 3.31Å; L798-I802 WeakPolarHBondContact O-CG1 3.49Å; L798-I802 PolarHBondContact O-N 2.89Å; I802-T804 PolarHBondContact O-N 3.37Å; I802-A806 WeakPolarHBondContact O-CB 3.01Å; I802-A806 PolarHBondContact O-N 3.3Å; I802-L831 HydrophobicContact CG2-CB 3.78Å; I802-L831 WeakPolarHBondContact CG2-O 3.39Å; I802-Q832 HydrophobicContact CB-CG 4.15Å; I802-Q832 HydrophobicContact CG2-CG 3.61Å; I802-P836 HydrophobicContact CD1-CG 4.12Å
803	F	91	Very high	89.9	Confident	13 Å²	13	10 Å²	10	6%	0.057	7%	0.066	C	C	.	.	H	α-helix	trans	-57.4	-48.9	173.8	175.3	-98.2	0	0	0	111.9	F630 I635 I638 A799 I801 A806 A807 F824 L828	F630-F803 HydrophobicContact CD2-CB 4.42Å; F630-F803 HydrophobicContact CD2-CD2 4.49Å; F630-F803 HydrophobicContact CE2-CB 4.41Å; I635-F803 HydrophobicContact CG2-CD2 4.4Å; I635-F803 HydrophobicContact CG2-CE1 4.31Å; I635-F803 HydrophobicContact CG2-CE2 3.66Å; I635-F803 HydrophobicContact CG2-CZ 3.62Å; I638-F803 HydrophobicContact CB-CZ 4.37Å; I638-F803 HydrophobicContact CG2-CZ 4.49Å; A799-F803 VanDerWaalsContact O-CB 3.24Å; A799-F803 WeakPolarHBondContact O-CB 3.21Å; A799-F803 PolarHBondContact O-N 3.47Å; I801-F803 VanDerWaalsContact C-N 3.28Å; I801-F803 PolarHBondContact O-N 3.27Å; F803-A806 PolarHBondContact O-N 2.93Å; F803-A807 WeakPolarHBondContact O-CB 2.85Å; F803-A807 PolarHBondContact O-N 3.13Å; F803-F824 HydrophobicContact CE2-CE1 4.02Å; F803-L828 HydrophobicContact CD2-CD1 3.98Å; F803-L828 HydrophobicContact CD2-CD2 3.83Å; F803-L828 HydrophobicContact CE2-CD1 3.89Å; F803-L828 HydrophobicContact CE2-CD2 4.36Å
804	T	88.4	Confident	89.6	Confident	11 Å²	11	7.7 Å²	7.7	7%	0.067	5%	0.045	C	C	.	.	H	α-helix	trans	-65	-47	-178.4	-55.8	0	0	0	0	111.1	I800 I801 I802 A807 L808 I993	I800-T804 WeakPolarHBondContact O-CB 3.35Å; I800-T804 PolarHBondContact O-N 3.47Å; I800-T804 PolarHBondContact O-OG1 2.83Å; I801-T804 PolarHBondContact O-N 3.31Å; I801-T804 VanDerWaalsContact O-N 3.08Å; I802-T804 PolarHBondContact O-N 3.37Å; T804-A807 PolarHBondContact O-N 3.31Å; T804-L808 HydrophobicContact CG2-CD1 4.01Å; T804-L808 WeakPolarHBondContact O-CB 3.23Å; T804-L808 VanDerWaalsContact O-CG 3.29Å; T804-L808 WeakPolarHBondContact O-CG 3.35Å; T804-L808 PolarHBondContact O-N 3.38Å; T804-I993 HydrophobicContact CG2-CG2 4.08Å
805	E	90.2	Very high	89	Confident	2 Å²	2	9.7 Å²	9.7	1%	0.009	5%	0.053	C	C	.	.	H	α-helix	trans	-64.8	-42.2	178.3	-66	-158.8	136.9	0	0	111.9	S591 P593 Y650 I801 A807 L808 N809 S848	S591-E805 PolarHBondContact OG-OE1 2.91Å; S591-E805 VanDerWaalsContact OG-OE1 3.11Å; S591-E805 PolarHBondContact OG-OE2 3.27Å; P593-E805 VanDerWaalsContact CB-OE1 3.27Å; P593-E805 WeakPolarHBondContact CB-OE1 3.37Å; P593-E805 VanDerWaalsContact CD-OE1 3.32Å; P593-E805 WeakPolarHBondContact CD-OE1 3.46Å; P593-E805 WeakPolarHBondContact CG-OE1 3.49Å; Y650-E805 HydrophobicContact CE2-CG 4.32Å; Y650-E805 VanDerWaalsContact OH-CG 3.23Å; Y650-E805 WeakPolarHBondContact OH-CG 3.46Å; Y650-E805 PolarHBondContact OH-OE1 2.87Å; I801-E805 HydrophobicContact CG2-CG 4.16Å; I801-E805 WeakPolarHBondContact O-CG 3.38Å; I801-E805 PolarHBondContact O-N 3.14Å; E805-A807 VanDerWaalsContact C-N 3.34Å; E805-A807 PolarHBondContact O-N 3.34Å; E805-L808 PolarHBondContact O-N 3.22Å; E805-N809 WeakPolarHBondContact O-CB 3.35Å; E805-N809 PolarHBondContact O-N 3.27Å; E805-S848 WeakPolarHBondContact CB-OG 3.39Å; E805-S848 WeakPolarHBondContact OE2-CB 3.34Å; E805-S848 PolarHBondContact OE2-OG 3.26Å
806	A	91.2	Very high	88	Confident	2 Å²	2	11.3 Å²	11.3	2%	0.017	6%	0.062	C	C	.	.	H	α-helix	trans	-59	-46.3	175.2	0	0	0	0	0	111.1	I802 F803 N809 G810 F824 L828 L831	I802-A806 WeakPolarHBondContact O-CB 3.01Å; I802-A806 PolarHBondContact O-N 3.3Å; F803-A806 PolarHBondContact O-N 2.93Å; A806-N809 PolarHBondContact O-N 3.45Å; A806-G810 PolarHBondContact O-N 3.41Å; A806-F824 VanDerWaalsContact C-CE2 3.47Å; A806-F824 HydrophobicContact CB-CE2 4.09Å; A806-F824 HydrophobicContact CB-CZ 4.17Å; A806-F824 WeakPolarHBondContact O-CE2 3.35Å; A806-L828 HydrophobicContact CB-CD2 3.87Å; A806-L831 HydrophobicContact CB-CD1 3.56Å
807	A	89.2	Confident	87	Confident	4 Å²	4	12.8 Å²	12.8	3%	0.033	7%	0.065	C	C	.	.	H	α-helix	trans	-63.6	-45.6	-178.8	0	0	0	0	0	112	A639 I642 F803 T804 E805 N809 G810 L811 F824	A639-A807 HydrophobicContact CB-CB 4.07Å; I642-A807 HydrophobicContact CD1-CB 3.41Å; I642-A807 VanDerWaalsContact CD1-CB 3.41Å; F803-A807 WeakPolarHBondContact O-CB 2.85Å; F803-A807 PolarHBondContact O-N 3.13Å; T804-A807 PolarHBondContact O-N 3.31Å; E805-A807 VanDerWaalsContact C-N 3.34Å; E805-A807 PolarHBondContact O-N 3.34Å; A807-N809 VanDerWaalsContact C-N 3.35Å; A807-G810 PolarHBondContact O-N 3.04Å; A807-L811 WeakPolarHBondContact O-CB 3.04Å; A807-L811 PolarHBondContact O-N 2.91Å; A807-F824 HydrophobicContact CB-CE1 4.17Å; A807-F824 HydrophobicContact CB-CE2 4Å; A807-F824 HydrophobicContact CB-CZ 3.47Å; A807-F824 VanDerWaalsContact CB-CZ 3.47Å
808	L	88.6	Confident	86.3	Confident	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-66	-37.4	176.5	-67.5	175.2	0	0	0	112.2	I642 V646 E647 Y650 T804 E805 L811 T812 T851	I642-L808 HydrophobicContact CG2-CD2 3.7Å; V646-L808 HydrophobicContact CG1-CD2 4.46Å; E647-L808 HydrophobicContact CB-CD2 3.93Å; E647-L808 HydrophobicContact CG-CD2 4.08Å; Y650-L808 HydrophobicContact CD1-CB 4.4Å; Y650-L808 HydrophobicContact CD1-CD1 3.4Å; Y650-L808 HydrophobicContact CD1-CG 4.49Å; Y650-L808 HydrophobicContact CD2-CD1 4Å; Y650-L808 HydrophobicContact CE1-CD1 3.94Å; Y650-L808 HydrophobicContact CE2-CD1 4.49Å; Y650-L808 HydrophobicContact CG-CD1 3.39Å; T804-L808 HydrophobicContact CG2-CD1 4.01Å; T804-L808 WeakPolarHBondContact O-CB 3.23Å; T804-L808 VanDerWaalsContact O-CG 3.29Å; T804-L808 WeakPolarHBondContact O-CG 3.35Å; T804-L808 PolarHBondContact O-N 3.38Å; E805-L808 PolarHBondContact O-N 3.22Å; L808-L811 PolarHBondContact O-N 3.01Å; L808-T812 WeakPolarHBondContact O-CB 3.31Å; L808-T812 PolarHBondContact O-N 3.3Å; L808-T812 PolarHBondContact O-OG1 3.17Å; L808-T851 HydrophobicContact CB-CG2 3.99Å
809	N	90.6	Very high	85.6	Confident	2 Å²	2	17.9 Å²	17.9	1%	0.011	10%	0.095	C	C	.	.	H	α-helix	trans	-67.4	-44.9	178	-162.3	37.2	0	0	0	111.9	A586 I587 E805 A806 A807 L811 T812 A813 G849 T850 T854	A586-N809 VanDerWaalsContact CB-ND2 3.33Å; A586-N809 WeakPolarHBondContact CB-ND2 3.37Å; I587-N809 PolarHBondContact O-ND2 3.36Å; E805-N809 WeakPolarHBondContact O-CB 3.35Å; E805-N809 PolarHBondContact O-N 3.27Å; A806-N809 PolarHBondContact O-N 3.45Å; A807-N809 VanDerWaalsContact C-N 3.35Å; N809-L811 VanDerWaalsContact C-N 3.32Å; N809-L811 PolarHBondContact O-N 3Å; N809-T812 PolarHBondContact O-N 3.3Å; N809-A813 PolarHBondContact O-N 3.3Å; N809-A813 VanDerWaalsContact O-N 3.09Å; N809-G849 WeakPolarHBondContact ND2-CA 3.25Å; N809-T850 PolarHBondContact OD1-O 3.46Å; N809-T854 WeakPolarHBondContact OD1-CB 3.36Å; N809-T854 PolarHBondContact OD1-OG1 3.13Å
810	G	88.7	Confident	85.3	Confident	1 Å²	1	19.8 Å²	19.8	1%	0.01	10%	0.104	C	C	.	.	H	α-helix	trans	-62.8	-36.9	175.2	0	0	0	0	0	112.9	A806 A807 M814 N822	A806-G810 PolarHBondContact O-N 3.41Å; A807-G810 PolarHBondContact O-N 3.04Å; G810-M814 WeakPolarHBondContact O-CG 3.43Å; G810-N822 WeakPolarHBondContact CA-ND2 3.41Å; G810-N822 PolarHBondContact O-ND2 3.2Å; G810-N822 VanDerWaalsContact O-ND2 3.14Å
811	L	84.8	Confident	84.8	Confident	4 Å²	4	20.5 Å²	20.5	2%	0.021	11%	0.11	C	C	.	.	H	α-helix	trans	-67.8	-44.1	174.6	-171.1	63.6	0	0	0	112	I642 A807 L808 N809 A813 M814 Y1021	I642-L811 HydrophobicContact CG2-CD2 4.1Å; A807-L811 WeakPolarHBondContact O-CB 3.04Å; A807-L811 PolarHBondContact O-N 2.91Å; L808-L811 PolarHBondContact O-N 3.01Å; N809-L811 VanDerWaalsContact C-N 3.32Å; N809-L811 PolarHBondContact O-N 3Å; L811-A813 PolarHBondContact O-N 2.89Å; L811-M814 PolarHBondContact O-N 2.85Å; L811-Y1021 HydrophobicContact CD1-CD2 3.55Å; L811-Y1021 HydrophobicContact CD1-CE2 4.37Å; L811-Y1021 HydrophobicContact CD1-CG 3.9Å; L811-Y1021 HydrophobicContact CD2-CD2 3.73Å; L811-Y1021 HydrophobicContact CD2-CE2 3.92Å; L811-Y1021 HydrophobicContact CG-CD2 3.65Å; L811-Y1021 HydrophobicContact CG-CE2 3.98Å; L811-Y1021 HydrophobicContact CG-CG 4.37Å
812	T	85.3	Confident	84.4	Confident	1 Å²	1	21.2 Å²	21.2	1%	0.006	11%	0.114	C	C	.	.	H	α-helix	trans	-59.1	-37.6	178.1	-57.2	0	0	0	0	111.2	E647 L808 N809 M814 K815 T854 L855 L858	E647-T812 PolarHBondContact OE1-OG1 3.09Å; L808-T812 WeakPolarHBondContact O-CB 3.31Å; L808-T812 PolarHBondContact O-N 3.3Å; L808-T812 PolarHBondContact O-OG1 3.17Å; N809-T812 PolarHBondContact O-N 3.3Å; T812-M814 PolarHBondContact O-N 2.67Å; T812-K815 WeakPolarHBondContact O-CG 3.32Å; T812-K815 PolarHBondContact O-N 2.88Å; T812-T854 HydrophobicContact CG2-CG2 4.31Å; T812-L855 HydrophobicContact CG2-CB 4.01Å; T812-L858 WeakPolarHBondContact O-CD1 3.39Å
813	A	86.7	Confident	84.2	Confident	1 Å²	1	22 Å²	22	1%	0.008	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-11	177.3	0	0	0	0	0	114.5	Q583 L585 N809 L811 T854 L858	Q583-A813 HydrophobicContact CG-CB 3.6Å; Q583-A813 PolarHBondContact NE2-O 3.43Å; L585-A813 HydrophobicContact CB-CB 4.28Å; N809-A813 PolarHBondContact O-N 3.3Å; N809-A813 VanDerWaalsContact O-N 3.09Å; L811-A813 PolarHBondContact O-N 2.89Å; A813-T854 HydrophobicContact CB-CG2 3.89Å; A813-L858 WeakPolarHBondContact O-CD1 3.41Å
814	M	83.3	Confident	84	Confident	14 Å²	14	22.1 Å²	22.1	7%	0.069	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-1.5	-178.1	-66.3	-62.7	-69	0	0	114.1	Q583 G810 L811 T812 N816 A818 K820 N822	Q583-M814 PolarHBondContact NE2-SD 3.09Å; G810-M814 WeakPolarHBondContact O-CG 3.43Å; L811-M814 PolarHBondContact O-N 2.85Å; T812-M814 PolarHBondContact O-N 2.67Å; M814-N816 PolarHBondContact O-N 3.3Å; M814-A818 HydrophobicContact CE-CB 3.69Å; M814-A818 HydrophobicContact SD-CB 3.64Å; M814-K820 WeakPolarHBondContact CE-O 3.1Å; M814-N822 HydrophobicContact CG-CB 4.05Å; M814-N822 HydrophobicContact SD-CB 3.99Å
815	K	77.7	Confident	84.1	Confident	53 Å²	53	22 Å²	22	23%	0.23	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-39.9	-171.2	-72.6	-174.7	-178.9	-168	0	115.5	E647 T812 K817 L855 L858 Y1021	E647-K815 VanDerWaalsContact CD-NZ 3.32Å; E647-K815 WeakPolarHBondContact OE1-CE 3.32Å; E647-K815 IonicContact OE1-NZ 3Å; E647-K815 PolarHBondContact OE1-NZ 2.74Å; E647-K815 WeakPolarHBondContact OE2-CE 3.36Å; E647-K815 IonicContact OE2-NZ 2.66Å; E647-K815 PolarHBondContact OE2-NZ 3.27Å; T812-K815 WeakPolarHBondContact O-CG 3.32Å; T812-K815 PolarHBondContact O-N 2.88Å; K815-K817 PolarHBondContact O-N 3.34Å; K815-L855 HydrophobicContact CD-CD1 4.44Å; K815-L858 HydrophobicContact CB-CD1 4.49Å; K815-Y1021 VanDerWaalsContact CE-OH 3.22Å; K815-Y1021 WeakPolarHBondContact CE-OH 2.93Å; K815-Y1021 HydrophobicContact CG-CE1 3.91Å
816	N	73	Confident	84.2	Confident	33 Å²	33	22.8 Å²	22.8	18%	0.176	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	54.2	-169.3	-74.7	6	0	0	0	113.3	M814 L858 V862 T879	M814-N816 PolarHBondContact O-N 3.3Å; N816-L858 HydrophobicContact CB-CD1 4.46Å; N816-L858 HydrophobicContact CB-CD2 3.63Å; N816-L858 HydrophobicContact CB-CG 4.25Å; N816-L858 WeakPolarHBondContact ND2-CD2 3.49Å; N816-V862 HydrophobicContact CB-CG2 4.2Å; N816-V862 WeakPolarHBondContact ND2-CG2 3.17Å; N816-T879 VanDerWaalsContact CB-OG1 3.22Å; N816-T879 WeakPolarHBondContact CB-OG1 3.38Å; N816-T879 PolarHBondContact O-N 3.46Å; N816-T879 PolarHBondContact O-OG1 3.5Å
817	K	71.1	Confident	84.3	Confident	74 Å²	74	22.8 Å²	22.8	32%	0.322	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	55.4	176.1	-56	178.5	-176.2	171.2	0	112.8	K815 I876 D1085	K815-K817 PolarHBondContact O-N 3.34Å; K817-I876 PolarHBondContact NZ-O 3.33Å; K817-I876 VanDerWaalsContact NZ-O 3.17Å; K817-D1085 VanDerWaalsContact CE-CB 3.46Å; K817-D1085 VanDerWaalsContact NZ-CB 3.29Å; K817-D1085 PolarHBondContact NZ-O 3.28Å
818	A	74.6	Confident	84.4	Confident	11 Å²	11	22.6 Å²	22.6	9%	0.091	12%	0.12	C	C	.	.			trans	-64.8	139.8	167.9	0	0	0	0	0	109.9	M814 E881	M814-A818 HydrophobicContact CE-CB 3.69Å; M814-A818 HydrophobicContact SD-CB 3.64Å; A818-E881 WeakPolarHBondContact CA-OE1 3.41Å; A818-E881 WeakPolarHBondContact CB-OE1 3.5Å
819	V	77.5	Confident	84.7	Confident	112 Å²	112	23.9 Å²	23.9	68%	0.679	13%	0.128	S	C	*	.	S	Bend	trans	-95.8	-28.4	-175.7	179.8	0	0	0	0	111.4	E881 P1025	V819-E881 PolarHBondContact N-OE1 3.46Å; V819-P1025 WeakPolarHBondContact O-CG 3.38Å
820	K	85.2	Confident	84.8	Confident	41 Å²	41	24 Å²	24	18%	0.178	13%	0.128	C	C	.	.	S	Bend	trans	-96.7	142.8	179.3	-47.4	176.1	-158.2	175.1	0	110	R514 D518 D521 M814 E881	R514-K820 HydrophobicContact CG-CD 3.95Å; D518-K820 IonicContact OD1-NZ 2.96Å; D518-K820 PolarHBondContact OD1-NZ 3.5Å; D521-K820 WeakPolarHBondContact OD2-CE 3.36Å; D521-K820 IonicContact OD2-NZ 2.79Å; D521-K820 PolarHBondContact OD2-NZ 3.38Å; M814-K820 WeakPolarHBondContact CE-O 3.1Å; K820-E881 WeakPolarHBondContact CB-OE2 3.29Å; K820-E881 WeakPolarHBondContact CD-OE2 2.97Å; K820-E881 WeakPolarHBondContact CG-OE2 3.42Å; K820-E881 PolarHBondContact N-OE1 2.97Å
821	P	79.6	Confident	85.1	Confident	50 Å²	50	24 Å²	24	33%	0.325	13%	0.128	S	C	.	.	P	Polyproline II helix	trans	-68.1	147.5	-178.2	29.1	-35.7	0	0	0	111.5	R514	R514-P821 PolarHBondContact NH1-O 3.02Å
822	N	83.4	Confident	85.5	Confident	16 Å²	16	23.9 Å²	23.9	9%	0.086	13%	0.127	C	C	.	.	P	Polyproline II helix	trans	-76.9	125	172.2	-175.4	-1.5	0	0	0	110.4	Q583 G810 M814 F824	Q583-N822 WeakPolarHBondContact CB-OD1 3.4Å; G810-N822 WeakPolarHBondContact CA-ND2 3.41Å; G810-N822 PolarHBondContact O-ND2 3.2Å; G810-N822 VanDerWaalsContact O-ND2 3.14Å; M814-N822 HydrophobicContact CG-CB 4.05Å; M814-N822 HydrophobicContact SD-CB 3.99Å; N822-F824 PolarHBondContact O-N 2.86Å
823	I	88.2	Confident	85.9	Confident	16 Å²	16	25.2 Å²	25.2	8%	0.082	13%	0.134	C	C	.	.			trans	-98.7	77.9	177.5	-51	172	0	0	0	108.5	P510 W511 V825 M826	P510-I823 HydrophobicContact CB-CD1 3.9Å; W511-I823 HydrophobicContact CB-CD1 3.68Å; W511-I823 VanDerWaalsContact N-CD1 3.33Å; I823-V825 VanDerWaalsContact C-N 3.3Å; I823-V825 PolarHBondContact O-N 3.03Å; I823-M826 HydrophobicContact CG2-CG 3.84Å; I823-M826 PolarHBondContact O-N 3.27Å
824	F	87.6	Confident	86.4	Confident	17 Å²	17	28.2 Å²	28.2	8%	0.075	15%	0.149	C	C	.	.	H	α-helix	trans	-61.2	-33.9	-168.7	-173.8	-119.5	0	0	0	114.5	A639 F803 A806 A807 N822 M826 D827 L828	A639-F824 HydrophobicContact CB-CD1 3.49Å; A639-F824 VanDerWaalsContact CB-CD1 3.49Å; A639-F824 HydrophobicContact CB-CE1 3.48Å; A639-F824 VanDerWaalsContact CB-CE1 3.48Å; A639-F824 HydrophobicContact CB-CG 4.1Å; A639-F824 HydrophobicContact CB-CZ 4.12Å; F803-F824 HydrophobicContact CE2-CE1 4.02Å; A806-F824 VanDerWaalsContact C-CE2 3.47Å; A806-F824 HydrophobicContact CB-CE2 4.09Å; A806-F824 HydrophobicContact CB-CZ 4.17Å; A806-F824 WeakPolarHBondContact O-CE2 3.35Å; A807-F824 HydrophobicContact CB-CE1 4.17Å; A807-F824 HydrophobicContact CB-CE2 4Å; A807-F824 HydrophobicContact CB-CZ 3.47Å; A807-F824 VanDerWaalsContact CB-CZ 3.47Å; N822-F824 PolarHBondContact O-N 2.86Å; F824-M826 VanDerWaalsContact C-N 3.25Å; F824-M826 PolarHBondContact O-N 2.89Å; F824-D827 WeakPolarHBondContact O-CB 3.3Å; F824-D827 PolarHBondContact O-N 2.7Å; F824-D827 VanDerWaalsContact O-N 3.1Å; F824-L828 HydrophobicContact CD1-CD1 3.95Å; F824-L828 HydrophobicContact CD1-CD2 4.47Å; F824-L828 HydrophobicContact CD1-CG 4.02Å; F824-L828 HydrophobicContact CE1-CD1 3.53Å; F824-L828 HydrophobicContact CE1-CD2 3.58Å; F824-L828 HydrophobicContact CE1-CG 3.56Å; F824-L828 HydrophobicContact CE2-CD2 4Å; F824-L828 HydrophobicContact CE2-CG 4.33Å; F824-L828 HydrophobicContact CZ-CD1 4.17Å; F824-L828 HydrophobicContact CZ-CD2 3.28Å; F824-L828 HydrophobicContact CZ-CG 3.73Å; F824-L828 PolarHBondContact O-N 2.85Å; F824-L828 VanDerWaalsContact O-N 3.13Å
825	V	90.5	Very high	87	Confident	9 Å²	9	27.7 Å²	27.7	6%	0.055	15%	0.147	C	C	.	.	H	α-helix	trans	-58.4	-37.7	-178	-167.7	0	0	0	0	112	E503 L504 V631 S636 I823 D827 L828 V829	E503-V825 HydrophobicContact CB-CG2 3.75Å; L504-V825 HydrophobicContact CB-CG1 3.93Å; L504-V825 HydrophobicContact CD1-CG1 3.92Å; V631-V825 HydrophobicContact CG1-CG1 4.16Å; S636-V825 WeakPolarHBondContact OG-CG2 3.39Å; I823-V825 VanDerWaalsContact C-N 3.3Å; I823-V825 PolarHBondContact O-N 3.03Å; V825-D827 VanDerWaalsContact C-N 3.32Å; V825-D827 PolarHBondContact O-N 3.33Å; V825-L828 PolarHBondContact O-N 3.22Å; V825-V829 WeakPolarHBondContact O-CG2 3.39Å; V825-V829 PolarHBondContact O-N 3.02Å
826	M	91.3	Very high	87.8	Confident	17 Å²	17	25.3 Å²	25.3	8%	0.084	14%	0.137	C	C	.	.	H	α-helix	trans	-67.1	-36.8	-179.9	-66.2	-53.7	-56.6	0	0	111.7	L504 I508 W511 I823 F824 L828 V829 L830	L504-M826 HydrophobicContact CD1-SD 3.97Å; I508-M826 HydrophobicContact CG1-SD 4.16Å; W511-M826 HydrophobicContact CB-CG 4.21Å; W511-M826 HydrophobicContact CD2-CE 3.83Å; W511-M826 HydrophobicContact CD2-CG 4.24Å; W511-M826 HydrophobicContact CD2-SD 4.32Å; W511-M826 HydrophobicContact CE3-CE 3.88Å; W511-M826 HydrophobicContact CE3-SD 4.39Å; W511-M826 HydrophobicContact CG-CG 3.94Å; W511-M826 HydrophobicContact CH2-CE 3.91Å; W511-M826 HydrophobicContact CZ2-CE 3.81Å; W511-M826 HydrophobicContact CZ3-CE 3.94Å; I823-M826 HydrophobicContact CG2-CG 3.84Å; I823-M826 PolarHBondContact O-N 3.27Å; F824-M826 VanDerWaalsContact C-N 3.25Å; F824-M826 PolarHBondContact O-N 2.89Å; M826-L828 VanDerWaalsContact C-N 3.34Å; M826-V829 PolarHBondContact O-N 3.13Å; M826-L830 PolarHBondContact O-N 3.17Å
827	D	92.6	Very high	88.8	Confident	3 Å²	3	27 Å²	27	2%	0.016	15%	0.145	C	C	.	.	H	α-helix	trans	-66.5	-39.8	176.2	-61.8	-10	0	0	0	110.3	F577 S581 G582 Q583 F824 V825 L830 L831	F577-D827 HydrophobicContact CE2-CB 4.23Å; F577-D827 HydrophobicContact CZ-CB 4.45Å; S581-D827 VanDerWaalsContact CB-OD1 3.26Å; S581-D827 WeakPolarHBondContact CB-OD1 3.49Å; G582-D827 WeakPolarHBondContact CA-OD1 3.37Å; G582-D827 PolarHBondContact N-OD1 3.45Å; Q583-D827 PolarHBondContact N-OD1 2.64Å; F824-D827 WeakPolarHBondContact O-CB 3.3Å; F824-D827 PolarHBondContact O-N 2.7Å; F824-D827 VanDerWaalsContact O-N 3.1Å; V825-D827 VanDerWaalsContact C-N 3.32Å; V825-D827 PolarHBondContact O-N 3.33Å; D827-L830 PolarHBondContact O-N 3.14Å; D827-L831 VanDerWaalsContact O-CB 3.24Å; D827-L831 WeakPolarHBondContact O-CB 3.5Å; D827-L831 WeakPolarHBondContact O-CG 3.33Å; D827-L831 PolarHBondContact O-N 3.35Å
828	L	92.3	Very high	89.9	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.9	-42.8	176	-67.2	-172.8	0	0	0	113	V631 F803 A806 F824 V825 M826 L830 L831 Q832	V631-L828 HydrophobicContact CG2-CB 4.36Å; F803-L828 HydrophobicContact CD2-CD1 3.98Å; F803-L828 HydrophobicContact CD2-CD2 3.83Å; F803-L828 HydrophobicContact CE2-CD1 3.89Å; F803-L828 HydrophobicContact CE2-CD2 4.36Å; A806-L828 HydrophobicContact CB-CD2 3.87Å; F824-L828 HydrophobicContact CD1-CD1 3.95Å; F824-L828 HydrophobicContact CD1-CD2 4.47Å; F824-L828 HydrophobicContact CD1-CG 4.02Å; F824-L828 HydrophobicContact CE1-CD1 3.53Å; F824-L828 HydrophobicContact CE1-CD2 3.58Å; F824-L828 HydrophobicContact CE1-CG 3.56Å; F824-L828 HydrophobicContact CE2-CD2 4Å; F824-L828 HydrophobicContact CE2-CG 4.33Å; F824-L828 HydrophobicContact CZ-CD1 4.17Å; F824-L828 HydrophobicContact CZ-CD2 3.28Å; F824-L828 HydrophobicContact CZ-CG 3.73Å; F824-L828 PolarHBondContact O-N 2.85Å; F824-L828 VanDerWaalsContact O-N 3.13Å; V825-L828 PolarHBondContact O-N 3.22Å; M826-L828 VanDerWaalsContact C-N 3.34Å; L828-L830 VanDerWaalsContact C-N 3.31Å; L828-L830 PolarHBondContact O-N 3.38Å; L828-L831 PolarHBondContact O-N 3.11Å; L828-Q832 VanDerWaalsContact O-CB 3.31Å; L828-Q832 WeakPolarHBondContact O-CB 3.46Å; L828-Q832 PolarHBondContact O-N 2.94Å
829	V	93.7	Very high	90.8	Very high	27 Å²	27	25 Å²	25	16%	0.164	14%	0.136	C	C	.	.	I	π-helix	trans	-60.2	-43.9	178.2	170.1	0	0	0	0	110.6	L504 V631 V825 M826 I833 I834	L504-V829 HydrophobicContact CD1-CG2 3.94Å; V631-V829 HydrophobicContact CG1-CG2 4.2Å; V631-V829 HydrophobicContact CG2-CG2 4.11Å; V825-V829 WeakPolarHBondContact O-CG2 3.39Å; V825-V829 PolarHBondContact O-N 3.02Å; M826-V829 PolarHBondContact O-N 3.13Å; V829-I833 HydrophobicContact CG2-CD1 4.5Å; V829-I833 VanDerWaalsContact O-CB 3.3Å; V829-I833 WeakPolarHBondContact O-CB 3.42Å; V829-I833 PolarHBondContact O-N 3.36Å; V829-I834 HydrophobicContact CG1-CD1 4.11Å; V829-I834 PolarHBondContact O-N 3.1Å; V829-I834 VanDerWaalsContact O-N 3.17Å
830	L	94.5	Very high	91.5	Very high	4 Å²	4	20 Å²	20	2%	0.021	11%	0.107	C	C	.	.	I	π-helix	trans	-66.9	-51.5	177.8	-70	163.9	0	0	0	111.6	F577 L580 M826 D827 L828 I834 F835	F577-L830 HydrophobicContact CD2-CB 4.43Å; F577-L830 HydrophobicContact CD2-CD1 4.09Å; L580-L830 HydrophobicContact CB-CD1 3.73Å; L580-L830 HydrophobicContact CB-CD2 3.89Å; L580-L830 HydrophobicContact CB-CG 4.43Å; L580-L830 HydrophobicContact CD1-CD2 4.02Å; M826-L830 PolarHBondContact O-N 3.17Å; D827-L830 PolarHBondContact O-N 3.14Å; L828-L830 VanDerWaalsContact C-N 3.31Å; L828-L830 PolarHBondContact O-N 3.38Å; L830-I834 HydrophobicContact CD2-CD1 3.86Å; L830-I834 PolarHBondContact O-N 3.06Å; L830-F835 HydrophobicContact CB-CE1 4.42Å; L830-F835 HydrophobicContact CD2-CE1 4.47Å; L830-F835 WeakPolarHBondContact O-CB 3.38Å; L830-F835 VanDerWaalsContact O-CD1 3.3Å; L830-F835 WeakPolarHBondContact O-CD1 3.45Å; L830-F835 WeakPolarHBondContact O-CG 3.4Å; L830-F835 PolarHBondContact O-N 3.44Å
831	L	94.4	Very high	91.9	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.01	12%	0.117	C	C	.	.	I	π-helix	trans	-74.8	-37.4	-171.3	-76.9	173.3	0	0	0	114	F577 I588 I802 A806 D827 L828 F835 P836	F577-L831 HydrophobicContact CE2-CD1 4.2Å; F577-L831 HydrophobicContact CE2-CG 4.25Å; I588-L831 HydrophobicContact CD1-CD1 4.38Å; I588-L831 HydrophobicContact CD1-CD2 3.39Å; I588-L831 HydrophobicContact CD1-CG 4.12Å; I588-L831 HydrophobicContact CG1-CD2 4.32Å; I802-L831 HydrophobicContact CG2-CB 3.78Å; I802-L831 WeakPolarHBondContact CG2-O 3.39Å; A806-L831 HydrophobicContact CB-CD1 3.56Å; D827-L831 VanDerWaalsContact O-CB 3.24Å; D827-L831 WeakPolarHBondContact O-CB 3.5Å; D827-L831 WeakPolarHBondContact O-CG 3.33Å; D827-L831 PolarHBondContact O-N 3.35Å; L828-L831 PolarHBondContact O-N 3.11Å; L831-F835 HydrophobicContact CD2-CD2 3.82Å; L831-F835 HydrophobicContact CD2-CE2 4.11Å; L831-P836 VanDerWaalsContact O-CD 3.24Å; L831-P836 WeakPolarHBondContact O-CD 3.34Å
832	Q	93.3	Very high	92.4	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.109	C	C	.	.	I	π-helix	trans	-97	-28.9	-176.4	-69.5	-168.7	62.4	0	0	114.1	S624 F630 I802 L828 P836	S624-Q832 WeakPolarHBondContact CA-O 3.39Å; S624-Q832 PolarHBondContact OG-O 3.19Å; F630-Q832 VanDerWaalsContact CD2-OE1 3.25Å; I802-Q832 HydrophobicContact CB-CG 4.15Å; I802-Q832 HydrophobicContact CG2-CG 3.61Å; L828-Q832 VanDerWaalsContact O-CB 3.31Å; L828-Q832 WeakPolarHBondContact O-CB 3.46Å; L828-Q832 PolarHBondContact O-N 2.94Å; Q832-P836 WeakPolarHBondContact O-CG 3.43Å
833	I	94.3	Very high	92.8	Very high	30 Å²	30	20.1 Å²	20.1	15%	0.154	11%	0.109	C	C	.	.	I	π-helix	trans	-101.4	-60.2	-176.5	-53.8	175.8	0	0	0	109.8	S624 F628 V631 V829 I837	S624-I833 PolarHBondContact OG-O 2.94Å; F628-I833 HydrophobicContact CB-CD1 4.35Å; F628-I833 HydrophobicContact CD2-CD1 4.38Å; V631-I833 HydrophobicContact CG2-CD1 4.25Å; V829-I833 HydrophobicContact CG2-CD1 4.5Å; V829-I833 VanDerWaalsContact O-CB 3.3Å; V829-I833 WeakPolarHBondContact O-CB 3.42Å; V829-I833 PolarHBondContact O-N 3.36Å; I833-I837 HydrophobicContact CG2-CD1 4.26Å; I833-I837 VanDerWaalsContact O-CD1 3.28Å; I833-I837 WeakPolarHBondContact O-CD1 3.4Å; I833-I837 VanDerWaalsContact O-CG1 3.27Å; I833-I837 WeakPolarHBondContact O-CG1 3.3Å
834	I	95.4	Very high	93	Very high	63 Å²	63	20.6 Å²	20.6	32%	0.323	11%	0.11	S	C	.	.	I	π-helix	trans	-74.7	-48	-168.6	-63.5	167.9	0	0	0	111.8	V829 L830 I837 I838	V829-I834 HydrophobicContact CG1-CD1 4.11Å; V829-I834 PolarHBondContact O-N 3.1Å; V829-I834 VanDerWaalsContact O-N 3.17Å; L830-I834 HydrophobicContact CD2-CD1 3.86Å; L830-I834 PolarHBondContact O-N 3.06Å; I834-I837 PolarHBondContact O-N 3.43Å; I834-I838 HydrophobicContact CG2-CD1 3.67Å; I834-I838 HydrophobicContact CG2-CG1 4.35Å; I834-I838 WeakPolarHBondContact O-CG1 2.92Å; I834-I838 PolarHBondContact O-N 3.11Å
835	F	95.9	Very high	93.3	Very high	4 Å²	4	19.9 Å²	19.9	2%	0.018	11%	0.106	C	C	.	.	H	α-helix	trans	-66.5	-41.5	-173.8	-75.8	14.5	0	0	0	113.2	F573 I576 F577 I588 L830 L831 I837 I838 S839 M847	F573-F835 HydrophobicContact CB-CE2 4.08Å; F573-F835 HydrophobicContact CB-CZ 4.34Å; F573-F835 HydrophobicContact CD1-CB 4.4Å; F573-F835 AromaticContact CD1-CD1 3.75Å; F573-F835 HydrophobicContact CD1-CD1 3.75Å; F573-F835 AromaticContact CD1-CD2 3.7Å; F573-F835 HydrophobicContact CD1-CD2 3.7Å; F573-F835 AromaticContact CD1-CE1 3.83Å; F573-F835 HydrophobicContact CD1-CE1 3.83Å; F573-F835 AromaticContact CD1-CE2 3.76Å; F573-F835 HydrophobicContact CD1-CE2 3.76Å; F573-F835 AromaticContact CD1-CG 3.68Å; F573-F835 HydrophobicContact CD1-CG 3.68Å; F573-F835 AromaticContact CD1-CZ 3.82Å; F573-F835 HydrophobicContact CD1-CZ 3.82Å; F573-F835 HydrophobicContact CE1-CB 3.99Å; F573-F835 AromaticContact CE1-CD1 3.86Å; F573-F835 HydrophobicContact CE1-CD1 3.86Å; F573-F835 HydrophobicContact CE1-CD2 4.15Å; F573-F835 HydrophobicContact CE1-CE1 4.36Å; F573-F835 AromaticContact CE1-CG 3.74Å; F573-F835 HydrophobicContact CE1-CG 3.74Å; F573-F835 HydrophobicContact CG-CD2 4.36Å; F573-F835 HydrophobicContact CG-CE2 4.27Å; F573-F835 WeakPolarHBondContact O-CZ 3.12Å; I576-F835 HydrophobicContact CB-CE1 4.37Å; I576-F835 HydrophobicContact CB-CZ 4.45Å; I576-F835 HydrophobicContact CG2-CE1 3.84Å; I576-F835 HydrophobicContact CG2-CZ 4.3Å; F577-F835 HydrophobicContact CB-CE2 4.27Å; F577-F835 HydrophobicContact CB-CZ 3.91Å; I588-F835 HydrophobicContact CD1-CE2 3.76Å; I588-F835 HydrophobicContact CG2-CE2 4.32Å; L830-F835 HydrophobicContact CB-CE1 4.42Å; L830-F835 HydrophobicContact CD2-CE1 4.47Å; L830-F835 WeakPolarHBondContact O-CB 3.38Å; L830-F835 VanDerWaalsContact O-CD1 3.3Å; L830-F835 WeakPolarHBondContact O-CD1 3.45Å; L830-F835 WeakPolarHBondContact O-CG 3.4Å; L830-F835 PolarHBondContact O-N 3.44Å; L831-F835 HydrophobicContact CD2-CD2 3.82Å; L831-F835 HydrophobicContact CD2-CE2 4.11Å; F835-I837 PolarHBondContact O-N 3.1Å; F835-I838 PolarHBondContact O-N 2.85Å; F835-S839 WeakPolarHBondContact O-CB 3.48Å; F835-S839 PolarHBondContact O-N 3.38Å; F835-M847 HydrophobicContact CD2-CB 4.49Å
836	P	95.3	Very high	93.5	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.013	11%	0.105	C	C	.	.	H	α-helix	trans	-64.6	-37.8	174.9	-24.6	37.4	0	0	0	112.3	A620 C623 I802 L831 Q832 S839 G840	A620-P836 HydrophobicContact CB-CB 4.44Å; A620-P836 WeakPolarHBondContact CB-O 3.47Å; C623-P836 HydrophobicContact CB-CB 4.43Å; I802-P836 HydrophobicContact CD1-CG 4.12Å; L831-P836 VanDerWaalsContact O-CD 3.24Å; L831-P836 WeakPolarHBondContact O-CD 3.34Å; Q832-P836 WeakPolarHBondContact O-CG 3.43Å; P836-S839 PolarHBondContact O-N 3.49Å; P836-G840 PolarHBondContact O-N 3.48Å
837	I	94.4	Very high	93.6	Very high	68 Å²	68	19 Å²	19	35%	0.349	10%	0.102	S	C	.	.	H	α-helix	trans	-60.4	-49.8	174.2	-69.3	167.1	0	0	0	110.6	S624 I833 I834 F835 S839 G840 I841	S624-I837 WeakPolarHBondContact OG-CG1 3.24Å; I833-I837 HydrophobicContact CG2-CD1 4.26Å; I833-I837 VanDerWaalsContact O-CD1 3.28Å; I833-I837 WeakPolarHBondContact O-CD1 3.4Å; I833-I837 VanDerWaalsContact O-CG1 3.27Å; I833-I837 WeakPolarHBondContact O-CG1 3.3Å; I834-I837 PolarHBondContact O-N 3.43Å; F835-I837 PolarHBondContact O-N 3.1Å; I837-S839 VanDerWaalsContact C-N 3.3Å; I837-S839 PolarHBondContact O-N 3.43Å; I837-G840 PolarHBondContact O-N 3.14Å; I837-I841 HydrophobicContact CG2-CD1 3.65Å; I837-I841 HydrophobicContact CG2-CG1 4.48Å; I837-I841 WeakPolarHBondContact O-CG1 3.48Å; I837-I841 PolarHBondContact O-N 2.79Å
838	I	94.7	Very high	93.6	Very high	44 Å²	44	18.9 Å²	18.9	23%	0.226	10%	0.101	C	C	.	.	H	α-helix	trans	-59.6	-46	178.6	-66.4	171	0	0	0	110	F573 I834 F835 G840 I841 T842 W844	F573-I838 HydrophobicContact CE1-CB 4.04Å; F573-I838 HydrophobicContact CE1-CD1 4.34Å; F573-I838 HydrophobicContact CE1-CG2 3.84Å; F573-I838 HydrophobicContact CZ-CB 4.16Å; F573-I838 HydrophobicContact CZ-CG2 3.77Å; I834-I838 HydrophobicContact CG2-CD1 3.67Å; I834-I838 HydrophobicContact CG2-CG1 4.35Å; I834-I838 WeakPolarHBondContact O-CG1 2.92Å; I834-I838 PolarHBondContact O-N 3.11Å; F835-I838 PolarHBondContact O-N 2.85Å; I838-G840 PolarHBondContact O-N 3.41Å; I838-I841 PolarHBondContact O-N 3.32Å; I838-T842 HydrophobicContact CG2-CG2 4.19Å; I838-T842 WeakPolarHBondContact O-CB 3.31Å; I838-T842 WeakPolarHBondContact O-CG2 3.43Å; I838-T842 PolarHBondContact O-N 3.03Å; I838-T842 PolarHBondContact O-OG1 3.17Å; I838-W844 HydrophobicContact CG2-CE3 4.06Å; I838-W844 HydrophobicContact CG2-CZ3 4.21Å
839	S	93.7	Very high	93.5	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.007	10%	0.101	C	C	.	.	H	α-helix	trans	-59.8	-44.4	178.5	173.4	0	0	0	0	112.3	R616 F835 P836 I837 G843 W844 F846	R616-S839 PolarHBondContact NH2-OG 2.89Å; F835-S839 WeakPolarHBondContact O-CB 3.48Å; F835-S839 PolarHBondContact O-N 3.38Å; P836-S839 PolarHBondContact O-N 3.49Å; I837-S839 VanDerWaalsContact C-N 3.3Å; I837-S839 PolarHBondContact O-N 3.43Å; S839-G843 WeakPolarHBondContact O-CA 2.92Å; S839-G843 PolarHBondContact O-N 3.43Å; S839-W844 WeakPolarHBondContact CB-O 3.44Å; S839-W844 PolarHBondContact O-N 3.04Å; S839-W844 PolarHBondContact OG-O 3.48Å; S839-F846 WeakPolarHBondContact OG-CD1 3.32Å; S839-F846 WeakPolarHBondContact OG-CE1 3.29Å
840	G	91.8	Very high	93.4	Very high	6 Å²	6	18.2 Å²	18.2	6%	0.062	10%	0.097	C	C	.	.	H	α-helix	trans	-66.4	-38.2	178.3	0	0	0	0	0	113.5	P836 I837 I838	P836-G840 PolarHBondContact O-N 3.48Å; I837-G840 PolarHBondContact O-N 3.14Å; I838-G840 PolarHBondContact O-N 3.41Å
841	I	92.3	Very high	93	Very high	78 Å²	78	18.1 Å²	18.1	40%	0.4	10%	0.097	S	C	.	.	H	α-helix	trans	-76.2	-42.7	179.8	-66.8	170	0	0	0	111.6	F617 P770 F773 I837 I838	F617-I841 HydrophobicContact CE2-CG1 4.44Å; P770-I841 WeakPolarHBondContact CA-O 3.18Å; P770-I841 WeakPolarHBondContact CB-O 3.46Å; F773-I841 HydrophobicContact CZ-CG2 4.34Å; I837-I841 HydrophobicContact CG2-CD1 3.65Å; I837-I841 HydrophobicContact CG2-CG1 4.48Å; I837-I841 WeakPolarHBondContact O-CG1 3.48Å; I837-I841 PolarHBondContact O-N 2.79Å; I838-I841 PolarHBondContact O-N 3.32Å
842	T	91.8	Very high	92.3	Very high	24 Å²	24	19.8 Å²	19.8	15%	0.147	11%	0.107	C	C	.	.	H	α-helix	trans	-89.3	-17.3	-173.1	59	0	0	0	0	113.9	V768 N769 I838 W844	V768-T842 HydrophobicContact CG1-CG2 4.4Å; V768-T842 WeakPolarHBondContact CG1-O 3.46Å; N769-T842 CarbonylContact C-O 3.5Å; N769-T842 PolarHBondContact N-O 3.49Å; I838-T842 HydrophobicContact CG2-CG2 4.19Å; I838-T842 WeakPolarHBondContact O-CB 3.31Å; I838-T842 WeakPolarHBondContact O-CG2 3.43Å; I838-T842 PolarHBondContact O-N 3.03Å; I838-T842 PolarHBondContact O-OG1 3.17Å; T842-W844 VanDerWaalsContact C-N 3.26Å; T842-W844 PolarHBondContact O-N 2.56Å; T842-W844 WeakPolarHBondContact OG1-CB 3.42Å; T842-W844 PolarHBondContact OG1-N 3.26Å
843	G	90	Very high	92	Very high	8 Å²	8	20.6 Å²	20.6	8%	0.082	11%	0.11	C	C	.	.			trans	75.4	9.9	-170	0	0	0	0	0	113.9	R616 N769 S839	R616-G843 PolarHBondContact NH1-O 2.99Å; N769-G843 WeakPolarHBondContact O-CA 3.39Å; S839-G843 WeakPolarHBondContact O-CA 2.92Å; S839-G843 PolarHBondContact O-N 3.43Å
844	W	93.6	Very high	91.8	Very high	26 Å²	26	19.2 Å²	19.2	10%	0.098	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-70.7	142.2	175.5	-69.7	-3.9	0	0	0	112.1	L568 A569 V572 F573 R616 W767 I838 S839 T842	L568-W844 HydrophobicContact CD2-CZ2 4.38Å; A569-W844 HydrophobicContact CB-CB 3.79Å; A569-W844 HydrophobicContact CB-CD2 3.69Å; A569-W844 HydrophobicContact CB-CE3 3.96Å; A569-W844 HydrophobicContact CB-CG 3.64Å; V572-W844 HydrophobicContact CB-CH2 4.08Å; V572-W844 HydrophobicContact CB-CZ3 4.06Å; V572-W844 HydrophobicContact CG1-CH2 3.92Å; V572-W844 HydrophobicContact CG1-CZ3 3.84Å; V572-W844 HydrophobicContact CG2-CH2 4.23Å; F573-W844 HydrophobicContact CD2-CE3 4.15Å; F573-W844 HydrophobicContact CE2-CB 4.03Å; F573-W844 HydrophobicContact CE2-CD2 4.42Å; F573-W844 AromaticContact CE2-CE3 3.58Å; F573-W844 HydrophobicContact CE2-CE3 3.58Å; F573-W844 HydrophobicContact CE2-CZ3 4.42Å; F573-W844 AromaticContact CZ-CE3 3.83Å; F573-W844 HydrophobicContact CZ-CE3 3.83Å; R616-W844 VanDerWaalsContact NH2-C 3.28Å; R616-W844 PolarHBondContact NH2-O 2.73Å; W767-W844 PolarHBondContact O-NE1 3.13Å; I838-W844 HydrophobicContact CG2-CE3 4.06Å; I838-W844 HydrophobicContact CG2-CZ3 4.21Å; S839-W844 WeakPolarHBondContact CB-O 3.44Å; S839-W844 PolarHBondContact O-N 3.04Å; S839-W844 PolarHBondContact OG-O 3.48Å; T842-W844 VanDerWaalsContact C-N 3.26Å; T842-W844 PolarHBondContact O-N 2.56Å; T842-W844 WeakPolarHBondContact OG1-CB 3.42Å; T842-W844 PolarHBondContact OG1-N 3.26Å
845	P	94.1	Very high	91.2	Very high	1 Å²	1	19 Å²	19	1%	0.006	10%	0.102	C	C	.	.	P	Polyproline II helix	trans	-56	149	-178.3	25.6	-35.5	0	0	0	112.5	L553 Y561 T566 I590 M847	L553-P845 HydrophobicContact CD1-CB 3.91Å; L553-P845 HydrophobicContact CD1-CG 4.42Å; Y561-P845 HydrophobicContact CE1-CB 4.08Å; T566-P845 HydrophobicContact CG2-CG 4.04Å; I590-P845 HydrophobicContact CD1-CB 4.39Å; I590-P845 HydrophobicContact CD1-CG 4.03Å; I590-P845 HydrophobicContact CG1-CG 4.34Å; P845-M847 HydrophobicContact CG-CE 3.67Å; P845-M847 PolarHBondContact O-N 3.1Å
846	F	94.3	Very high	90.5	Very high	4 Å²	4	20.5 Å²	20.5	2%	0.018	11%	0.113	C	C	.	.	P	Polyproline II helix	trans	-61.9	137.7	174	-64.1	-60.4	0	0	0	111.1	M594 E598 L601 R616 A620 L798 S839	M594-F846 HydrophobicContact CB-CB 4.36Å; M594-F846 WeakPolarHBondContact CB-O 3.32Å; M594-F846 HydrophobicContact CG-CB 4.24Å; M594-F846 WeakPolarHBondContact CG-O 3.27Å; M594-F846 HydrophobicContact SD-CB 3.59Å; M594-F846 VanDerWaalsContact SD-CB 3.59Å; E598-F846 HydrophobicContact CG-CD2 4.25Å; E598-F846 WeakPolarHBondContact OE1-CD2 3.39Å; E598-F846 WeakPolarHBondContact OE1-CE2 3.44Å; E598-F846 PolarHBondContact OE1-N 3.34Å; L601-F846 HydrophobicContact CD1-CE2 3.86Å; R616-F846 HydrophobicContact CG-CE2 4.21Å; R616-F846 HydrophobicContact CG-CZ 4.05Å; A620-F846 HydrophobicContact CB-CE1 3.69Å; A620-F846 HydrophobicContact CB-CZ 3.86Å; L798-F846 HydrophobicContact CD2-CD1 4.16Å; L798-F846 HydrophobicContact CD2-CD2 4.16Å; L798-F846 HydrophobicContact CD2-CE1 3.99Å; L798-F846 HydrophobicContact CD2-CE2 4Å; L798-F846 HydrophobicContact CD2-CG 4.26Å; L798-F846 HydrophobicContact CD2-CZ 3.92Å; S839-F846 WeakPolarHBondContact OG-CD1 3.32Å; S839-F846 WeakPolarHBondContact OG-CE1 3.29Å
847	M	93.5	Very high	90.1	Very high	5 Å²	5	20.5 Å²	20.5	3%	0.025	11%	0.113	C	C	.	.			trans	-119.7	147.8	-177.8	-61.3	-60.4	179.6	0	0	110.8	A569 V570 F573 I588 I590 F835 P845	A569-M847 HydrophobicContact CB-CE 3.81Å; V570-M847 HydrophobicContact CB-CE 4.28Å; V570-M847 HydrophobicContact CG2-CE 3.44Å; V570-M847 VanDerWaalsContact CG2-CE 3.44Å; V570-M847 HydrophobicContact CG2-SD 3.99Å; F573-M847 HydrophobicContact CB-CG 4.22Å; F573-M847 HydrophobicContact CD2-CB 4.31Å; F573-M847 HydrophobicContact CD2-CE 3.88Å; F573-M847 HydrophobicContact CD2-CG 3.32Å; F573-M847 HydrophobicContact CD2-SD 4.47Å; F573-M847 HydrophobicContact CE2-CE 4.32Å; F573-M847 HydrophobicContact CE2-CG 3.74Å; F573-M847 HydrophobicContact CG-CB 4.5Å; F573-M847 HydrophobicContact CG-CG 3.9Å; I588-M847 HydrophobicContact CG2-CB 3.8Å; I590-M847 HydrophobicContact CB-SD 4.45Å; I590-M847 HydrophobicContact CD1-CE 4.47Å; I590-M847 HydrophobicContact CG1-CE 3.9Å; I590-M847 HydrophobicContact CG1-SD 3.56Å; I590-M847 VanDerWaalsContact CG1-SD 3.56Å; I590-M847 PolarHBondContact N-SD 2.97Å; I590-M847 VanDerWaalsContact N-SD 3.43Å; F835-M847 HydrophobicContact CD2-CB 4.49Å; P845-M847 HydrophobicContact CG-CE 3.67Å; P845-M847 PolarHBondContact O-N 3.1Å
848	S	92.2	Very high	89.7	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	173.1	178.1	-176.9	0	0	0	0	111.7	I588 G589 E805	I588-S848 WeakPolarHBondContact CA-O 3.33Å; G589-S848 PolarHBondContact N-O 3.24Å; G589-S848 VanDerWaalsContact N-O 3.11Å; G589-S848 PolarHBondContact O-N 3.29Å; G589-S848 VanDerWaalsContact O-N 3.1Å; G589-S848 VanDerWaalsContact O-O 3.06Å; E805-S848 WeakPolarHBondContact CB-OG 3.39Å; E805-S848 WeakPolarHBondContact OE2-CB 3.34Å; E805-S848 PolarHBondContact OE2-OG 3.26Å
849	G	90.4	Very high	89	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	132.5	177.5	0	0	0	0	0	112	N809	N809-G849 WeakPolarHBondContact ND2-CA 3.25Å
850	T	90.6	Very high	88.4	Confident	13 Å²	13	19.9 Å²	19.9	8%	0.08	12%	0.117	C	C	.	.			trans	-116.1	103.3	-179	49.9	0	0	0	0	112.4	I587 N809 V852 R853 T854	I587-T850 PolarHBondContact O-N 3.11Å; I587-T850 PolarHBondContact O-OG1 3.2Å; I587-T850 VanDerWaalsContact O-OG1 3.13Å; N809-T850 PolarHBondContact OD1-O 3.46Å; T850-V852 PolarHBondContact O-N 3.25Å; T850-R853 PolarHBondContact O-N 2.92Å; T850-R853 WeakPolarHBondContact OG1-CB 3.18Å; T850-R853 PolarHBondContact OG1-NE 3.46Å; T850-R853 PolarHBondContact OG1-NH2 2.91Å; T850-T854 WeakPolarHBondContact O-CB 3.37Å; T850-T854 PolarHBondContact O-N 2.95Å; T850-T854 PolarHBondContact O-OG1 3.35Å; T850-T854 VanDerWaalsContact O-OG1 3.13Å
851	T	86.4	Confident	88.1	Confident	2 Å²	2	19.6 Å²	19.6	1%	0.012	11%	0.114	C	C	.	.	H	α-helix	trans	-57.4	-44.6	-173.2	54.1	0	0	0	0	113.2	Y650 N651 L808 R853 T854 L855	Y650-T851 HydrophobicContact CD1-CG2 4.11Å; Y650-T851 HydrophobicContact CE1-CG2 3.71Å; N651-T851 WeakPolarHBondContact OD1-CB 3.32Å; N651-T851 PolarHBondContact OD1-OG1 3.36Å; L808-T851 HydrophobicContact CB-CG2 3.99Å; T851-R853 PolarHBondContact O-N 3.4Å; T851-T854 PolarHBondContact O-N 3Å; T851-L855 WeakPolarHBondContact O-CB 3.47Å; T851-L855 PolarHBondContact O-N 3.03Å
852	V	80.4	Confident	87.7	Confident	37 Å²	37	16.6 Å²	16.6	22%	0.224	10%	0.099	C	C	.	.	H	α-helix	trans	-64.9	-38.3	-179.6	-177.8	0	0	0	0	112	I654 T850 S856	I654-V852 HydrophobicContact CG2-CG2 4.45Å; T850-V852 PolarHBondContact O-N 3.25Å; V852-S856 PolarHBondContact O-N 3.1Å; V852-S856 PolarHBondContact O-OG 3.46Å
853	R	86.7	Confident	87.2	Confident	17 Å²	17	17.8 Å²	17.8	6%	0.064	10%	0.102	C	C	.	.	H	α-helix	trans	-73.8	-40.3	177.6	-64.6	-167	-94.2	141.5	-2.6	111.3	V541 N542 I587 I588 G589 I590 T850 T851 S856 N857	V541-R853 HydrophobicContact CG1-CB 4.49Å; V541-R853 HydrophobicContact CG1-CG 4.36Å; N542-R853 WeakPolarHBondContact OD1-CD 3.35Å; N542-R853 PolarHBondContact OD1-NH1 2.74Å; I587-R853 HydrophobicContact CB-CB 4.18Å; I587-R853 HydrophobicContact CG2-CB 3.81Å; I588-R853 PolarHBondContact O-NH1 2.89Å; G589-R853 VanDerWaalsContact N-NH2 3.11Å; I590-R853 PolarHBondContact O-NH2 3.39Å; T850-R853 PolarHBondContact O-N 2.92Å; T850-R853 WeakPolarHBondContact OG1-CB 3.18Å; T850-R853 PolarHBondContact OG1-NE 3.46Å; T850-R853 PolarHBondContact OG1-NH2 2.91Å; T851-R853 PolarHBondContact O-N 3.4Å; R853-S856 WeakPolarHBondContact O-CB 3.42Å; R853-S856 PolarHBondContact O-N 3.49Å; R853-N857 PolarHBondContact O-N 2.83Å
854	T	90.3	Very high	86.6	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-61.5	-42.2	173.3	-64.7	0	0	0	0	112.2	A586 I587 N809 T812 A813 T850 T851 S856 N857 L858	A586-T854 HydrophobicContact CB-CG2 4.43Å; I587-T854 PolarHBondContact N-OG1 3.27Å; N809-T854 WeakPolarHBondContact OD1-CB 3.36Å; N809-T854 PolarHBondContact OD1-OG1 3.13Å; T812-T854 HydrophobicContact CG2-CG2 4.31Å; A813-T854 HydrophobicContact CB-CG2 3.89Å; T850-T854 WeakPolarHBondContact O-CB 3.37Å; T850-T854 PolarHBondContact O-N 2.95Å; T850-T854 PolarHBondContact O-OG1 3.35Å; T850-T854 VanDerWaalsContact O-OG1 3.13Å; T851-T854 PolarHBondContact O-N 3Å; T854-S856 VanDerWaalsContact C-N 3.32Å; T854-S856 PolarHBondContact O-N 3.26Å; T854-N857 WeakPolarHBondContact O-CB 3.49Å; T854-N857 PolarHBondContact O-N 3.29Å; T854-L858 VanDerWaalsContact O-CB 3.31Å; T854-L858 WeakPolarHBondContact O-CB 3.45Å; T854-L858 PolarHBondContact O-N 3.02Å
855	L	83.2	Confident	85.7	Confident	60 Å²	60	23.4 Å²	23.4	31%	0.314	13%	0.13	S	C	.	.	H	α-helix	trans	-61.2	-43.1	175.5	-179	61.3	0	0	0	111.4	T812 K815 T851 L858 V859	T812-L855 HydrophobicContact CG2-CB 4.01Å; K815-L855 HydrophobicContact CD-CD1 4.44Å; T851-L855 WeakPolarHBondContact O-CB 3.47Å; T851-L855 PolarHBondContact O-N 3.03Å; L855-L858 PolarHBondContact O-N 3.24Å; L855-V859 WeakPolarHBondContact O-CG2 3.34Å; L855-V859 PolarHBondContact O-N 3.44Å
856	S	80.4	Confident	84.6	Confident	35 Å²	35	31.6 Å²	31.6	25%	0.245	17%	0.168	C	C	.	.	H	α-helix	trans	-63.1	-42.8	176.8	-60.3	0	0	0	0	111.8	V852 R853 T854 V859 A860	V852-S856 PolarHBondContact O-N 3.1Å; V852-S856 PolarHBondContact O-OG 3.46Å; R853-S856 WeakPolarHBondContact O-CB 3.42Å; R853-S856 PolarHBondContact O-N 3.49Å; T854-S856 VanDerWaalsContact C-N 3.32Å; T854-S856 PolarHBondContact O-N 3.26Å; S856-V859 PolarHBondContact O-N 2.92Å; S856-A860 PolarHBondContact O-N 3.43Å
857	N	87.3	Confident	83.6	Confident	2 Å²	2	36.1 Å²	36.1	1%	0.011	20%	0.201	C	C	.	.	H	α-helix	trans	-60	-47.7	173.8	-178.5	33.2	0	0	0	111.8	I538 L585 I587 R853 T854 V859 A860 L861	I538-N857 WeakPolarHBondContact CD1-OD1 3.42Å; I538-N857 HydrophobicContact CG1-CB 4.46Å; I538-N857 WeakPolarHBondContact CG1-OD1 3.47Å; L585-N857 PolarHBondContact O-ND2 3.27Å; I587-N857 HydrophobicContact CD1-CB 4.29Å; I587-N857 HydrophobicContact CG1-CB 3.74Å; R853-N857 PolarHBondContact O-N 2.83Å; T854-N857 WeakPolarHBondContact O-CB 3.49Å; T854-N857 PolarHBondContact O-N 3.29Å; N857-V859 PolarHBondContact O-N 3.43Å; N857-A860 WeakPolarHBondContact O-CB 3.27Å; N857-A860 PolarHBondContact O-N 3.2Å; N857-L861 PolarHBondContact O-N 2.84Å; N857-L861 WeakPolarHBondContact OD1-CD1 3.19Å
858	L	85.6	Confident	82.5	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61.6	-42.6	-179.6	175.2	155.3	0	0	0	111.4	T812 A813 K815 N816 T854 L855 A860 L861 V862	T812-L858 WeakPolarHBondContact O-CD1 3.39Å; A813-L858 WeakPolarHBondContact O-CD1 3.41Å; K815-L858 HydrophobicContact CB-CD1 4.49Å; N816-L858 HydrophobicContact CB-CD1 4.46Å; N816-L858 HydrophobicContact CB-CD2 3.63Å; N816-L858 HydrophobicContact CB-CG 4.25Å; N816-L858 WeakPolarHBondContact ND2-CD2 3.49Å; T854-L858 VanDerWaalsContact O-CB 3.31Å; T854-L858 WeakPolarHBondContact O-CB 3.45Å; T854-L858 PolarHBondContact O-N 3.02Å; L855-L858 PolarHBondContact O-N 3.24Å; L858-A860 PolarHBondContact O-N 3.49Å; L858-L861 PolarHBondContact O-N 3.02Å; L858-L861 VanDerWaalsContact O-N 3.09Å; L858-V862 HydrophobicContact CD2-CG2 4.44Å; L858-V862 VanDerWaalsContact O-CG2 3.23Å; L858-V862 WeakPolarHBondContact O-CG2 3.42Å; L858-V862 PolarHBondContact O-N 3.48Å
859	V	81	Confident	81.5	Confident	74 Å²	74	40.7 Å²	40.7	45%	0.448	24%	0.236	S	C	.	.	H	α-helix	trans	-59.8	-34.4	174.5	170.2	0	0	0	0	112.2	L855 S856 N857 L861	L855-V859 WeakPolarHBondContact O-CG2 3.34Å; L855-V859 PolarHBondContact O-N 3.44Å; S856-V859 PolarHBondContact O-N 2.92Å; N857-V859 PolarHBondContact O-N 3.43Å; V859-L861 VanDerWaalsContact C-N 3.3Å
860	A	80.5	Confident	79.9	Confident	26 Å²	26	47.3 Å²	47.3	22%	0.215	28%	0.279	C	S	.	.	H	α-helix	trans	-72.3	-24.6	178	0	0	0	0	0	113.1	F537 I538 S856 N857 L858	F537-A860 HydrophobicContact CD1-CB 3.67Å; F537-A860 HydrophobicContact CE1-CB 4Å; I538-A860 HydrophobicContact CG1-CB 4.42Å; S856-A860 PolarHBondContact O-N 3.43Å; N857-A860 WeakPolarHBondContact O-CB 3.27Å; N857-A860 PolarHBondContact O-N 3.2Å; L858-A860 PolarHBondContact O-N 3.49Å
861	L	86.5	Confident	78.7	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	6.4	-177.7	-65.5	170.5	0	0	0	113.7	V531 L585 N857 L858 V859 T879 V880 Q882	V531-L861 HydrophobicContact CG2-CD2 4.34Å; L585-L861 HydrophobicContact CD2-CD1 3.51Å; N857-L861 PolarHBondContact O-N 2.84Å; N857-L861 WeakPolarHBondContact OD1-CD1 3.19Å; L858-L861 PolarHBondContact O-N 3.02Å; L858-L861 VanDerWaalsContact O-N 3.09Å; V859-L861 VanDerWaalsContact C-N 3.3Å; L861-T879 HydrophobicContact CB-CG2 4.12Å; L861-V880 PolarHBondContact O-N 3.5Å; L861-Q882 HydrophobicContact CD2-CG 4.42Å
862	V	83.6	Confident	77.1	Confident	15 Å²	15	54 Å²	54	9%	0.091	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	129.6	177.7	179.6	0	0	0	0	111.6	N816 L858 M864 I876	N816-V862 HydrophobicContact CB-CG2 4.2Å; N816-V862 WeakPolarHBondContact ND2-CG2 3.17Å; L858-V862 HydrophobicContact CD2-CG2 4.44Å; L858-V862 VanDerWaalsContact O-CG2 3.23Å; L858-V862 WeakPolarHBondContact O-CG2 3.42Å; L858-V862 PolarHBondContact O-N 3.48Å; V862-M864 HydrophobicContact CB-CE 4.4Å; V862-M864 HydrophobicContact CG1-CE 3.77Å; V862-M864 HydrophobicContact CG1-CG 4.36Å; V862-M864 HydrophobicContact CG1-SD 3.93Å; V862-I876 HydrophobicContact CG1-CB 4.27Å; V862-I876 HydrophobicContact CG1-CD1 4.46Å; V862-I876 HydrophobicContact CG1-CG1 3.96Å; V862-I876 HydrophobicContact CG1-CG2 3.64Å
863	K	81.5	Confident	76.1	Confident	49 Å²	49	56.8 Å²	56.8	21%	0.213	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	117.5	163.9	-62.9	-170.5	178.6	-168	0	110.2	E526 N527 I530 V877 G878 V880	E526-K863 IonicContact OE2-NZ 3.69Å; N527-K863 WeakPolarHBondContact OD1-CE 3.43Å; N527-K863 PolarHBondContact OD1-NZ 3.27Å; I530-K863 HydrophobicContact CD1-CG 4Å; K863-V877 HydrophobicContact CB-CB 4.33Å; K863-V877 PolarHBondContact O-N 3.3Å; K863-G878 WeakPolarHBondContact CB-O 3.28Å; K863-G878 PolarHBondContact N-O 3.09Å; K863-V880 HydrophobicContact CD-CG2 4.25Å; K863-V880 VanDerWaalsContact CE-CG2 3.5Å; K863-V880 HydrophobicContact CG-CG2 3.78Å
864	M	77.6	Confident	75.1	Confident	89 Å²	89	59.7 Å²	59.7	44%	0.438	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	143.2	170.8	-62.5	-65.3	-174.1	0	0	109.6	V862 Q866 H874 I876	V862-M864 HydrophobicContact CB-CE 4.4Å; V862-M864 HydrophobicContact CG1-CE 3.77Å; V862-M864 HydrophobicContact CG1-CG 4.36Å; V862-M864 HydrophobicContact CG1-SD 3.93Å; M864-Q866 PolarHBondContact O-N 3.42Å; M864-H874 HydrophobicContact CB-CB 4.44Å; M864-I876 HydrophobicContact CE-CG1 3.99Å; M864-I876 HydrophobicContact SD-CG1 3.76Å
865	D	74.3	Confident	74.1	Confident	62 Å²	62	62.7 Å²	62.7	33%	0.332	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-58.5	129.2	172.9	-170.1	1.4	0	0	0	110.3	S867 H874 K875 V877	D865-S867 PolarHBondContact OD1-N 2.96Å; D865-H874 PolarHBondContact O-ND1 2.81Å; D865-K875 HydrophobicContact CB-CB 4.49Å; D865-K875 PolarHBondContact N-O 3.22Å; D865-V877 HydrophobicContact CB-CG2 3.98Å
866	Q	71.5	Confident	73.8	Confident	173 Å²	173	62.2 Å²	62.2	81%	0.808	38%	0.377	S	S	*	.	S	Bend	trans	-82.2	-26.9	-174.2	-65.7	-172.2	-1.6	0	0	112.2	M864	M864-Q866 PolarHBondContact O-N 3.42Å
867	S	73	Confident	73.6	Confident	100 Å²	100	65 Å²	65	70%	0.699	39%	0.392	S	S	*	.	S	Bend	trans	-129.7	64.8	-172.9	-57.5	0	0	0	0	110.9	D865	D865-S867 PolarHBondContact OD1-N 2.96Å
868	P	69.6	Low	73.4	Confident	36 Å²	36	65.4 Å²	65.4	23%	0.234	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-62.8	147.4	172.5	30.8	-35.2	0	0	0	109.2	H874	P868-H874 WeakPolarHBondContact CD-ND1 3.27Å
869	A	70.9	Confident	73.3	Confident	64 Å²	64	66 Å²	66	53%	0.529	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-54.4	145.1	170.2	0	0	0	0	0	110.3	G871 M872	A869-G871 PolarHBondContact O-N 2.82Å; A869-M872 HydrophobicContact CB-CG 4.35Å; A869-M872 PolarHBondContact O-N 3.36Å
870	P	57.8	Low	73.7	Confident	139 Å²	139	62.6 Å²	62.6	90%	0.903	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	125.6	177.3	-24.4	32.5	0	0	0	111.2
871	G	63.9	Low	74.2	Confident	86 Å²	86	61.8 Å²	61.8	89%	0.887	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.1	-10.8	-178.6	0	0	0	0	0	116.1	A869	A869-G871 PolarHBondContact O-N 2.82Å
872	M	54.4	Low	74.5	Confident	71 Å²	71	61.8 Å²	61.8	35%	0.35	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-96.2	137.9	179	-67.8	-59.9	-60.3	0	0	112.6	A869 V1087	A869-M872 HydrophobicContact CB-CG 4.35Å; A869-M872 PolarHBondContact O-N 3.36Å; M872-V1087 HydrophobicContact CE-CB 3.6Å; M872-V1087 HydrophobicContact CE-CG1 3.16Å; M872-V1087 HydrophobicContact CE-CG2 3.51Å; M872-V1087 HydrophobicContact SD-CG1 4.24Å
873	P	57.8	Low	75	Confident	94 Å²	94	61 Å²	61	61%	0.61	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-64.7	150.7	172	27.5	-35.4	0	0	0	111.4	K875	P873-K875 PolarHBondContact O-N 3.22Å
874	H	67	Low	75.5	Confident	79 Å²	79	59.8 Å²	59.8	37%	0.366	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-59.3	120.7	175.3	-68.7	-79.2	0	0	0	111	R720 M864 D865 P868	R720-H874 PolarHBondContact NH2-NE2 3.34Å; M864-H874 HydrophobicContact CB-CB 4.44Å; D865-H874 PolarHBondContact O-ND1 2.81Å; P868-H874 WeakPolarHBondContact CD-ND1 3.27Å
875	K	69.2	Low	76.3	Confident	62 Å²	62	55.6 Å²	55.6	27%	0.27	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-81.8	143.3	178.4	179.1	165.9	179.5	164.3	0	111.4	D865 P873 V877 D1085 V1087	D865-K875 HydrophobicContact CB-CB 4.49Å; D865-K875 PolarHBondContact N-O 3.22Å; P873-K875 PolarHBondContact O-N 3.22Å; K875-V877 PolarHBondContact O-N 3.38Å; K875-D1085 VanDerWaalsContact CE-C 3.45Å; K875-D1085 WeakPolarHBondContact CE-O 3.45Å; K875-V1087 HydrophobicContact CD-CG2 4.46Å
876	I	76.1	Confident	77.1	Confident	51 Å²	51	52.7 Å²	52.7	26%	0.262	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	112.4	170	-61.8	173.5	0	0	0	108.4	K817 V862 M864	K817-I876 PolarHBondContact NZ-O 3.33Å; K817-I876 VanDerWaalsContact NZ-O 3.17Å; V862-I876 HydrophobicContact CG1-CB 4.27Å; V862-I876 HydrophobicContact CG1-CD1 4.46Å; V862-I876 HydrophobicContact CG1-CG1 3.96Å; V862-I876 HydrophobicContact CG1-CG2 3.64Å; M864-I876 HydrophobicContact CE-CG1 3.99Å; M864-I876 HydrophobicContact SD-CG1 3.76Å
877	V	76.7	Confident	78.3	Confident	93 Å²	93	46 Å²	46	56%	0.564	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	-40.8	178.4	179.4	0	0	0	0	110.4	K863 D865 K875	K863-V877 HydrophobicContact CB-CB 4.33Å; K863-V877 PolarHBondContact O-N 3.3Å; D865-V877 HydrophobicContact CB-CG2 3.98Å; K875-V877 PolarHBondContact O-N 3.38Å
878	G	82.6	Confident	79.3	Confident	10 Å²	10	45.3 Å²	45.3	10%	0.103	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.5	-175.8	179.4	0	0	0	0	0	111.6	K863	K863-G878 WeakPolarHBondContact CB-O 3.28Å; K863-G878 PolarHBondContact N-O 3.09Å
879	T	84.4	Confident	80.5	Confident	14 Å²	14	43.6 Å²	43.6	9%	0.086	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	140.2	177.2	-59.6	0	0	0	0	110.6	L585 N816 L861 E881	L585-T879 HydrophobicContact CD1-CG2 3.91Å; N816-T879 VanDerWaalsContact CB-OG1 3.22Å; N816-T879 WeakPolarHBondContact CB-OG1 3.38Å; N816-T879 PolarHBondContact O-N 3.46Å; N816-T879 PolarHBondContact O-OG1 3.5Å; L861-T879 HydrophobicContact CB-CG2 4.12Å; T879-E881 PolarHBondContact O-N 3.37Å
880	V	89.4	Confident	81.6	Confident	2 Å²	2	40.5 Å²	40.5	1%	0.012	25%	0.246	C	C	.	.			trans	-74.2	109.2	171.2	-178.6	0	0	0	0	108.8	N527 I530 V531 L861 K863 Q882	N527-V880 HydrophobicContact CB-CG1 3.92Å; N527-V880 HydrophobicContact CB-CG2 4.3Å; I530-V880 HydrophobicContact CD1-CG2 4.33Å; I530-V880 HydrophobicContact CG2-CG2 4.39Å; V531-V880 HydrophobicContact CG2-CG1 3.77Å; L861-V880 PolarHBondContact O-N 3.5Å; K863-V880 HydrophobicContact CD-CG2 4.25Å; K863-V880 VanDerWaalsContact CE-CG2 3.5Å; K863-V880 HydrophobicContact CG-CG2 3.78Å; V880-Q882 HydrophobicContact CG1-CB 4.48Å; V880-Q882 HydrophobicContact CG1-CG 4.19Å
881	E	90.2	Very high	83.5	Confident	8 Å²	8	37.3 Å²	37.3	4%	0.037	22%	0.221	C	C	.	.			trans	-89.1	119.2	176.9	-60.8	-174.9	-161.3	0	0	111.3	R514 D521 L585 A818 V819 K820 T879	R514-E881 IonicContact CZ-OE2 2.64Å; R514-E881 IonicContact NH2-OE2 2.7Å; R514-E881 PolarHBondContact NH2-OE2 3.38Å; D521-E881 WeakPolarHBondContact CB-O 3.36Å; L585-E881 HydrophobicContact CD1-CG 4.16Å; A818-E881 WeakPolarHBondContact CA-OE1 3.41Å; A818-E881 WeakPolarHBondContact CB-OE1 3.5Å; V819-E881 PolarHBondContact N-OE1 3.46Å; K820-E881 WeakPolarHBondContact CB-OE2 3.29Å; K820-E881 WeakPolarHBondContact CD-OE2 2.97Å; K820-E881 WeakPolarHBondContact CG-OE2 3.42Å; K820-E881 PolarHBondContact N-OE1 2.97Å; T879-E881 PolarHBondContact O-N 3.37Å
882	Q	92.8	Very high	84.9	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.195	C	C	.	.			trans	-157.2	165.8	-170.2	57.5	74.6	38.5	0	0	111.6	A522 V531 L861 V880 S885	A522-Q882 HydrophobicContact CB-CB 3.95Å; V531-Q882 HydrophobicContact CG1-CG 4.42Å; V531-Q882 HydrophobicContact CG2-CG 4.03Å; L861-Q882 HydrophobicContact CD2-CG 4.42Å; V880-Q882 HydrophobicContact CG1-CB 4.48Å; V880-Q882 HydrophobicContact CG1-CG 4.19Å; Q882-S885 PolarHBondContact NE2-OG 2.8Å
883	R	93.3	Very high	86.8	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.178	C	C	.	.	S	Bend	trans	-113.7	-16.3	176.1	-70.4	177.1	-175	-90.1	0.4	114.3	D518 Y519 T578 V579 S581 P584 V887	D518-R883 HydrophobicContact CB-CG 3.96Å; D518-R883 IonicContact OD2-CZ 3.49Å; D518-R883 IonicContact OD2-NE 3.38Å; D518-R883 PolarHBondContact OD2-NE 3.49Å; D518-R883 IonicContact OD2-NH2 3.32Å; D518-R883 PolarHBondContact OD2-NH2 2.93Å; Y519-R883 HydrophobicContact CE1-CB 4Å; T578-R883 HydrophobicContact CG2-CB 4.28Å; T578-R883 WeakPolarHBondContact CG2-O 3Å; T578-R883 PolarHBondContact O-NH1 3.29Å; V579-R883 PolarHBondContact O-NH1 3.45Å; V579-R883 VanDerWaalsContact O-NH1 3.08Å; S581-R883 PolarHBondContact O-NH1 2.92Å; S581-R883 PolarHBondContact O-NH2 3.04Å; P584-R883 HydrophobicContact CB-CB 4.4Å; P584-R883 HydrophobicContact CB-CG 3.48Å; P584-R883 VanDerWaalsContact CB-CG 3.48Å; P584-R883 HydrophobicContact CG-CG 3.62Å; R883-V887 WeakPolarHBondContact O-CG2 3.12Å
884	V	93.6	Very high	88.4	Confident	23 Å²	23	29.3 Å²	29.3	14%	0.139	16%	0.156	C	C	.	.	H	α-helix	trans	-69	-43.7	-168.7	176.9	0	0	0	0	113	Y519 A522 G886 V887 F888	Y519-V884 HydrophobicContact CD1-CG2 3.76Å; Y519-V884 HydrophobicContact CE1-CG2 4.24Å; A522-V884 HydrophobicContact CB-CB 3.99Å; A522-V884 HydrophobicContact CB-CG2 3.54Å; V884-G886 PolarHBondContact O-N 3.33Å; V884-V887 PolarHBondContact O-N 3.26Å; V884-F888 HydrophobicContact CG1-CD2 3.56Å; V884-F888 HydrophobicContact CG1-CE2 3.39Å; V884-F888 VanDerWaalsContact O-CD2 3.28Å; V884-F888 WeakPolarHBondContact O-CD2 3.44Å; V884-F888 PolarHBondContact O-N 3.28Å
885	S	92.9	Very high	89.6	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-65.5	-40	-176.3	78	0	0	0	0	112.4	Q882 V887 F888 V889	Q882-S885 PolarHBondContact NE2-OG 2.8Å; S885-V887 VanDerWaalsContact C-N 3.33Å; S885-V887 PolarHBondContact O-N 3.46Å; S885-F888 PolarHBondContact O-N 3.13Å; S885-V889 WeakPolarHBondContact O-CB 3.3Å; S885-V889 WeakPolarHBondContact O-CG2 3.49Å; S885-V889 PolarHBondContact O-N 3.22Å
886	G	92.4	Very high	90.6	Very high	2 Å²	2	27 Å²	27	2%	0.021	15%	0.149	C	C	.	.	H	α-helix	trans	-65.6	-36.6	178.7	0	0	0	0	0	112.2	V884 V889 G890	V884-G886 PolarHBondContact O-N 3.33Å; G886-V889 PolarHBondContact O-N 3.23Å; G886-G890 PolarHBondContact O-N 2.66Å
887	V	95.2	Very high	91.1	Very high	31 Å²	31	24.7 Å²	24.7	19%	0.188	14%	0.137	C	C	.	.	H	α-helix	trans	-64.6	-49.4	173.3	174.3	0	0	0	0	111	T578 V579 R883 V884 S885 V889 G890 I891	T578-V887 HydrophobicContact CG2-CG2 4.11Å; V579-V887 HydrophobicContact CG2-CG2 3.88Å; R883-V887 WeakPolarHBondContact O-CG2 3.12Å; V884-V887 PolarHBondContact O-N 3.26Å; S885-V887 VanDerWaalsContact C-N 3.33Å; S885-V887 PolarHBondContact O-N 3.46Å; V887-V889 VanDerWaalsContact C-N 3.31Å; V887-V889 PolarHBondContact O-N 3.41Å; V887-G890 PolarHBondContact O-N 2.9Å; V887-I891 HydrophobicContact CG1-CD1 3.88Å; V887-I891 WeakPolarHBondContact O-CG1 3.38Å; V887-I891 PolarHBondContact O-N 3.39Å
888	F	95.2	Very high	91.6	Very high	86 Å²	86	25.9 Å²	25.9	38%	0.377	14%	0.135	S	C	.	.	H	α-helix	trans	-59	-42.6	176.2	-83.8	-67.4	0	0	0	112.3	F532 V535 V884 S885 I891 L892	F532-F888 HydrophobicContact CE1-CD2 4.34Å; F532-F888 AromaticContact CE1-CE2 3.71Å; F532-F888 HydrophobicContact CE1-CE2 3.71Å; F532-F888 HydrophobicContact CE1-CZ 4.05Å; F532-F888 AromaticContact CZ-CE2 3.96Å; F532-F888 HydrophobicContact CZ-CE2 3.96Å; F532-F888 HydrophobicContact CZ-CZ 4.45Å; V535-F888 HydrophobicContact CG1-CB 3.83Å; V535-F888 HydrophobicContact CG2-CB 4.3Å; V884-F888 HydrophobicContact CG1-CD2 3.56Å; V884-F888 HydrophobicContact CG1-CE2 3.39Å; V884-F888 VanDerWaalsContact O-CD2 3.28Å; V884-F888 WeakPolarHBondContact O-CD2 3.44Å; V884-F888 PolarHBondContact O-N 3.28Å; S885-F888 PolarHBondContact O-N 3.13Å; F888-I891 PolarHBondContact O-N 3.15Å; F888-L892 WeakPolarHBondContact O-CB 3.43Å; F888-L892 VanDerWaalsContact O-CG 3.27Å; F888-L892 WeakPolarHBondContact O-CG 3.36Å; F888-L892 PolarHBondContact O-N 3.15Å
889	V	94.2	Very high	91.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.3	-44.7	177.4	169.9	0	0	0	0	110.9	V535 I538 N542 L574 S885 G886 V887 I891 L892 V893	V535-V889 HydrophobicContact CG1-CG2 4.31Å; I538-V889 HydrophobicContact CB-CG2 3.76Å; I538-V889 HydrophobicContact CG2-CB 4.41Å; I538-V889 HydrophobicContact CG2-CG1 4.17Å; I538-V889 HydrophobicContact CG2-CG2 3.68Å; N542-V889 HydrophobicContact CB-CG1 4.28Å; L574-V889 HydrophobicContact CD2-CB 4.32Å; L574-V889 HydrophobicContact CD2-CG1 3.74Å; S885-V889 WeakPolarHBondContact O-CB 3.3Å; S885-V889 WeakPolarHBondContact O-CG2 3.49Å; S885-V889 PolarHBondContact O-N 3.22Å; G886-V889 PolarHBondContact O-N 3.23Å; V887-V889 VanDerWaalsContact C-N 3.31Å; V887-V889 PolarHBondContact O-N 3.41Å; V889-I891 VanDerWaalsContact C-N 3.34Å; V889-I891 PolarHBondContact O-N 3.25Å; V889-L892 PolarHBondContact O-N 3.5Å; V889-V893 HydrophobicContact CG1-CG2 4.25Å; V889-V893 WeakPolarHBondContact O-CB 3.3Å; V889-V893 VanDerWaalsContact O-CG2 3.3Å; V889-V893 WeakPolarHBondContact O-CG2 3.31Å; V889-V893 PolarHBondContact O-N 2.94Å
890	G	95.1	Very high	91.3	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.6	-41.3	177.5	0	0	0	0	0	112.7	G571 G886 V887 V893 A894	G571-G890 VanDerWaalsContact CA-O 3.3Å; G571-G890 WeakPolarHBondContact CA-O 3.43Å; G886-G890 PolarHBondContact O-N 2.66Å; V887-G890 PolarHBondContact O-N 2.9Å; G890-V893 PolarHBondContact O-N 2.89Å; G890-A894 WeakPolarHBondContact O-CB 3.22Å; G890-A894 PolarHBondContact O-N 2.89Å
891	I	96.1	Very high	91	Very high	71 Å²	71	30.9 Å²	30.9	36%	0.364	16%	0.163	S	C	.	.	H	α-helix	trans	-61.6	-49.2	173.1	-66.5	167.2	0	0	0	110.7	I575 V887 F888 V889 V893 A894 L895	I575-I891 HydrophobicContact CD1-CG1 3.91Å; I575-I891 HydrophobicContact CG1-CG1 4.4Å; V887-I891 HydrophobicContact CG1-CD1 3.88Å; V887-I891 WeakPolarHBondContact O-CG1 3.38Å; V887-I891 PolarHBondContact O-N 3.39Å; F888-I891 PolarHBondContact O-N 3.15Å; V889-I891 VanDerWaalsContact C-N 3.34Å; V889-I891 PolarHBondContact O-N 3.25Å; I891-V893 VanDerWaalsContact C-N 3.34Å; I891-V893 PolarHBondContact O-N 3.23Å; I891-A894 PolarHBondContact O-N 3Å; I891-L895 HydrophobicContact CG2-CD1 3.72Å; I891-L895 HydrophobicContact CG2-CG 4.21Å; I891-L895 WeakPolarHBondContact O-CB 3.02Å; I891-L895 VanDerWaalsContact O-CG 3.3Å; I891-L895 WeakPolarHBondContact O-CG 3.41Å; I891-L895 PolarHBondContact O-N 3.46Å
892	L	94.7	Very high	90.7	Very high	65 Å²	65	35.4 Å²	35.4	34%	0.34	19%	0.187	S	C	.	.	H	α-helix	trans	-62.6	-40.2	-179.8	-71.9	171.4	0	0	0	112.2	V535 Y539 F888 V889 L895 S896	V535-L892 HydrophobicContact CG1-CD1 3.86Å; Y539-L892 HydrophobicContact CD2-CB 3.49Å; Y539-L892 VanDerWaalsContact CD2-CB 3.49Å; Y539-L892 HydrophobicContact CD2-CD1 4.4Å; Y539-L892 HydrophobicContact CE2-CB 3.72Å; Y539-L892 HydrophobicContact CG-CB 4.22Å; Y539-L892 HydrophobicContact CG-CD1 4.33Å; F888-L892 WeakPolarHBondContact O-CB 3.43Å; F888-L892 VanDerWaalsContact O-CG 3.27Å; F888-L892 WeakPolarHBondContact O-CG 3.36Å; F888-L892 PolarHBondContact O-N 3.15Å; V889-L892 PolarHBondContact O-N 3.5Å; L892-L895 PolarHBondContact O-N 3.45Å; L892-S896 PolarHBondContact O-N 3.38Å; L892-S896 PolarHBondContact O-OG 3.33Å
893	V	93.4	Very high	90.2	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.5	-43.6	175.6	172.5	0	0	0	0	110.8	Y539 N542 L567 V570 V889 G890 I891 S896	Y539-V893 HydrophobicContact CD2-CG2 3.92Å; Y539-V893 HydrophobicContact CE2-CG2 4.15Å; N542-V893 HydrophobicContact CB-CG2 4.32Å; L567-V893 HydrophobicContact CD2-CG1 4.45Å; V570-V893 HydrophobicContact CB-CG1 4.4Å; V570-V893 HydrophobicContact CG1-CG1 4.16Å; V889-V893 HydrophobicContact CG1-CG2 4.25Å; V889-V893 WeakPolarHBondContact O-CB 3.3Å; V889-V893 VanDerWaalsContact O-CG2 3.3Å; V889-V893 WeakPolarHBondContact O-CG2 3.31Å; V889-V893 PolarHBondContact O-N 2.94Å; G890-V893 PolarHBondContact O-N 2.89Å; I891-V893 VanDerWaalsContact C-N 3.34Å; I891-V893 PolarHBondContact O-N 3.23Å; V893-S896 VanDerWaalsContact O-CB 3.25Å; V893-S896 WeakPolarHBondContact O-CB 3.34Å; V893-S896 PolarHBondContact O-N 3.34Å
894	A	92.3	Very high	89.7	Confident	18 Å²	18	37.5 Å²	37.5	15%	0.149	20%	0.2	C	C	.	.	H	α-helix	trans	-63.4	-42.6	175.1	0	0	0	0	0	112.2	L568 G890 I891 S896 I897	L568-A894 HydrophobicContact CD1-CB 4.43Å; G890-A894 WeakPolarHBondContact O-CB 3.22Å; G890-A894 PolarHBondContact O-N 2.89Å; I891-A894 PolarHBondContact O-N 3Å; A894-S896 PolarHBondContact O-N 3.06Å; A894-I897 WeakPolarHBondContact O-CD1 3.31Å; A894-I897 VanDerWaalsContact O-CG1 3.23Å; A894-I897 WeakPolarHBondContact O-CG1 3.46Å; A894-I897 PolarHBondContact O-N 3.45Å
895	L	91.8	Very high	89.4	Confident	91 Å²	91	39.1 Å²	39.1	48%	0.476	21%	0.208	S	C	.	.	H	α-helix	trans	-69.2	-16.3	176.8	-68.8	176.8	0	0	0	113.3	I891 L892 I897 F898	I891-L895 HydrophobicContact CG2-CD1 3.72Å; I891-L895 HydrophobicContact CG2-CG 4.21Å; I891-L895 WeakPolarHBondContact O-CB 3.02Å; I891-L895 VanDerWaalsContact O-CG 3.3Å; I891-L895 WeakPolarHBondContact O-CG 3.41Å; I891-L895 PolarHBondContact O-N 3.46Å; L892-L895 PolarHBondContact O-N 3.45Å; L895-I897 PolarHBondContact O-N 3.31Å; L895-I897 VanDerWaalsContact O-N 3.11Å; L895-F898 HydrophobicContact CD2-CD2 4.27Å; L895-F898 HydrophobicContact CD2-CE2 4.16Å; L895-F898 PolarHBondContact O-N 2.88Å; L895-F898 VanDerWaalsContact O-N 3.09Å
896	S	89.8	Confident	89.1	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.007	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-65.7	-12.5	178.1	-59.5	0	0	0	0	113.3	Y539 L892 V893 A894 F898 L899 L903	Y539-S896 VanDerWaalsContact CE2-OG 3.27Å; Y539-S896 WeakPolarHBondContact CE2-OG 3.16Å; Y539-S896 PolarHBondContact OH-OG 3.11Å; L892-S896 PolarHBondContact O-N 3.38Å; L892-S896 PolarHBondContact O-OG 3.33Å; V893-S896 VanDerWaalsContact O-CB 3.25Å; V893-S896 WeakPolarHBondContact O-CB 3.34Å; V893-S896 PolarHBondContact O-N 3.34Å; A894-S896 PolarHBondContact O-N 3.06Å; S896-F898 PolarHBondContact O-N 3.48Å; S896-L899 WeakPolarHBondContact O-CB 3.32Å; S896-L899 PolarHBondContact O-N 3.31Å; S896-L903 WeakPolarHBondContact O-CD1 3.46Å
897	I	88	Confident	88.9	Confident	4 Å²	4	39.8 Å²	39.8	2%	0.021	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-58.3	-37.1	170.9	-61.8	165.4	0	0	0	110.8	T564 L567 L568 V762 W767 A894 L895 L899 G900	T564-I897 HydrophobicContact CG2-CG2 3.94Å; L567-I897 HydrophobicContact CB-CG1 4.19Å; L568-I897 HydrophobicContact CB-CD1 3.6Å; L568-I897 HydrophobicContact CD1-CD1 3.74Å; L568-I897 HydrophobicContact CG-CD1 4.21Å; V762-I897 HydrophobicContact CG1-CG2 4.14Å; W767-I897 HydrophobicContact CZ2-CG2 4.02Å; A894-I897 WeakPolarHBondContact O-CD1 3.31Å; A894-I897 VanDerWaalsContact O-CG1 3.23Å; A894-I897 WeakPolarHBondContact O-CG1 3.46Å; A894-I897 PolarHBondContact O-N 3.45Å; L895-I897 PolarHBondContact O-N 3.31Å; L895-I897 VanDerWaalsContact O-N 3.11Å; I897-L899 PolarHBondContact O-N 2.85Å; I897-G900 PolarHBondContact O-N 2.73Å
898	F	85.7	Confident	88.4	Confident	118 Å²	118	39.8 Å²	39.8	52%	0.518	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-74.3	-13.9	178	-61.4	-67.4	0	0	0	113.3	L895 S896 G900	L895-F898 HydrophobicContact CD2-CD2 4.27Å; L895-F898 HydrophobicContact CD2-CE2 4.16Å; L895-F898 PolarHBondContact O-N 2.88Å; L895-F898 VanDerWaalsContact O-N 3.09Å; S896-F898 PolarHBondContact O-N 3.48Å; F898-G900 PolarHBondContact O-N 3.37Å
899	L	83.7	Confident	88.1	Confident	68 Å²	68	35.7 Å²	35.7	36%	0.356	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-81.3	12.5	173	-58.4	174.1	0	0	0	112.3	S896 I897 S901 I902 L903	S896-L899 WeakPolarHBondContact O-CB 3.32Å; S896-L899 PolarHBondContact O-N 3.31Å; I897-L899 PolarHBondContact O-N 2.85Å; L899-S901 PolarHBondContact O-N 3.38Å; L899-S901 VanDerWaalsContact O-N 3.16Å; L899-I902 HydrophobicContact CD2-CD1 4.25Å; L899-I902 WeakPolarHBondContact O-CA 3.34Å; L899-I902 PolarHBondContact O-N 3.45Å; L899-L903 HydrophobicContact CB-CD1 4.09Å; L899-L903 HydrophobicContact CB-CG 4.14Å; L899-L903 WeakPolarHBondContact O-CG 3.47Å; L899-L903 PolarHBondContact O-N 2.84Å
900	G	78.5	Confident	87.9	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-53.4	-34.8	-178.5	0	0	0	0	0	114.5	I756 I897 F898 I902 S904	I756-G900 VanDerWaalsContact CG2-CA 3.5Å; I897-G900 PolarHBondContact O-N 2.73Å; F898-G900 PolarHBondContact O-N 3.37Å; G900-I902 VanDerWaalsContact C-N 3.27Å; G900-I902 PolarHBondContact O-N 2.98Å; G900-S904 WeakPolarHBondContact O-CB 3.31Å; G900-S904 PolarHBondContact O-N 3.47Å; G900-S904 PolarHBondContact O-OG 3.27Å
901	S	82.1	Confident	87.4	Confident	62 Å²	62	35.8 Å²	35.8	43%	0.434	19%	0.192	S	C	.	.	H	α-helix	trans	-64.6	-29.3	175	55.9	0	0	0	0	113.7	L899 S904 N905	L899-S901 PolarHBondContact O-N 3.38Å; L899-S901 VanDerWaalsContact O-N 3.16Å; S901-S904 PolarHBondContact O-OG 3.07Å; S901-N905 PolarHBondContact O-ND2 3.41Å
902	I	84.1	Confident	87	Confident	104 Å²	104	33.6 Å²	33.6	53%	0.533	18%	0.18	S	C	.	.	H	α-helix	trans	-88	-46.9	177.5	-59.9	177	0	0	0	109.7	L899 G900 S904 N905	L899-I902 HydrophobicContact CD2-CD1 4.25Å; L899-I902 WeakPolarHBondContact O-CA 3.34Å; L899-I902 PolarHBondContact O-N 3.45Å; G900-I902 VanDerWaalsContact C-N 3.27Å; G900-I902 PolarHBondContact O-N 2.98Å; I902-S904 VanDerWaalsContact C-N 3.32Å; I902-S904 PolarHBondContact O-N 3.43Å; I902-N905 WeakPolarHBondContact O-CB 2.98Å; I902-N905 PolarHBondContact O-N 3.02Å; I902-N905 PolarHBondContact O-ND2 2.69Å
903	L	81.5	Confident	86.7	Confident	13 Å²	13	30.5 Å²	30.5	7%	0.068	16%	0.164	C	C	.	.	H	α-helix	trans	-67.4	-29.9	-175.7	-66.1	175.2	0	0	0	113.1	I547 I756 S896 L899 N905 I906	I547-L903 HydrophobicContact CD1-CD1 4.31Å; I547-L903 HydrophobicContact CD1-CD2 3.87Å; I756-L903 HydrophobicContact CD1-CB 3.52Å; I756-L903 HydrophobicContact CD1-CD1 4.16Å; I756-L903 HydrophobicContact CD1-CG 4.49Å; S896-L903 WeakPolarHBondContact O-CD1 3.46Å; L899-L903 HydrophobicContact CB-CD1 4.09Å; L899-L903 HydrophobicContact CB-CG 4.14Å; L899-L903 WeakPolarHBondContact O-CG 3.47Å; L899-L903 PolarHBondContact O-N 2.84Å; L903-N905 PolarHBondContact O-N 3.34Å; L903-I906 HydrophobicContact CD2-CD1 3.78Å; L903-I906 WeakPolarHBondContact O-CB 3.26Å; L903-I906 PolarHBondContact O-N 2.92Å; L903-I906 VanDerWaalsContact O-N 3.15Å
904	S	84.6	Confident	86.4	Confident	30 Å²	30	30.6 Å²	30.6	21%	0.21	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-17.9	175.7	52.7	0	0	0	0	114.1	T753 V754 G900 S901 I902 I906	T753-S904 WeakPolarHBondContact CB-O 3.23Å; T753-S904 PolarHBondContact OG1-O 3.42Å; V754-S904 WeakPolarHBondContact O-CA 3.48Å; G900-S904 WeakPolarHBondContact O-CB 3.31Å; G900-S904 PolarHBondContact O-N 3.47Å; G900-S904 PolarHBondContact O-OG 3.27Å; S901-S904 PolarHBondContact O-OG 3.07Å; I902-S904 VanDerWaalsContact C-N 3.32Å; I902-S904 PolarHBondContact O-N 3.43Å; S904-I906 VanDerWaalsContact C-N 3.31Å
905	N	85.9	Confident	86.1	Confident	57 Å²	57	29.9 Å²	29.9	31%	0.305	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-11	177.2	-62	-53.6	0	0	0	113.3	T739 R743 S901 I902 L903 P907	T739-N905 HydrophobicContact CG2-CB 4.25Å; T739-N905 WeakPolarHBondContact CG2-O 3.23Å; R743-N905 PolarHBondContact NH2-ND2 2.57Å; R743-N905 PolarHBondContact NH2-OD1 2.86Å; S901-N905 PolarHBondContact O-ND2 3.41Å; I902-N905 WeakPolarHBondContact O-CB 2.98Å; I902-N905 PolarHBondContact O-N 3.02Å; I902-N905 PolarHBondContact O-ND2 2.69Å; L903-N905 PolarHBondContact O-N 3.34Å; N905-P907 WeakPolarHBondContact O-CD 2.98Å
906	I	86.4	Confident	86	Confident	16 Å²	16	25.8 Å²	25.8	8%	0.082	14%	0.136	C	C	.	.	S	Bend	trans	-76.6	121.1	-176.4	-59.7	174.5	0	0	0	108.3	M735 T753 V754 L903 S904 A910 L911	M735-I906 HydrophobicContact SD-CD1 4.34Å; T753-I906 WeakPolarHBondContact CA-O 3.43Å; T753-I906 WeakPolarHBondContact CB-O 3.42Å; V754-I906 HydrophobicContact CG2-CB 4.45Å; V754-I906 PolarHBondContact N-O 3.2Å; V754-I906 VanDerWaalsContact N-O 3.13Å; L903-I906 HydrophobicContact CD2-CD1 3.78Å; L903-I906 WeakPolarHBondContact O-CB 3.26Å; L903-I906 PolarHBondContact O-N 2.92Å; L903-I906 VanDerWaalsContact O-N 3.15Å; S904-I906 VanDerWaalsContact C-N 3.31Å; I906-A910 HydrophobicContact CG2-CB 3.99Å; I906-L911 HydrophobicContact CG2-CD2 4.39Å
907	P	88.6	Confident	85.9	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-70.5	144	175.2	29.2	-34.3	0	0	0	110.5	I738 E742 N905 A909 A910	I738-P907 HydrophobicContact CG2-CG 3.72Å; E742-P907 HydrophobicContact CB-CG 4.35Å; E742-P907 HydrophobicContact CG-CB 4.39Å; E742-P907 HydrophobicContact CG-CG 4.43Å; N905-P907 WeakPolarHBondContact O-CD 2.98Å; P907-A909 PolarHBondContact O-N 3.02Å; P907-A909 VanDerWaalsContact O-N 3.07Å; P907-A910 HydrophobicContact CG-CB 4.33Å; P907-A910 WeakPolarHBondContact O-CB 3.48Å; P907-A910 PolarHBondContact O-N 2.9Å
908	L	85.1	Confident	85.7	Confident	31 Å²	31	28.2 Å²	28.2	16%	0.162	15%	0.147	C	C	.	.	H	α-helix	trans	-56.2	-28.2	176.6	-70.1	178.8	0	0	0	112.2	A551 P752 V754 A910 L911 Y912	A551-L908 HydrophobicContact CB-CD2 4.41Å; P752-L908 HydrophobicContact CB-CD1 3.76Å; P752-L908 HydrophobicContact CB-CG 4.39Å; P752-L908 HydrophobicContact CG-CB 4.49Å; P752-L908 HydrophobicContact CG-CD1 3.98Å; P752-L908 WeakPolarHBondContact O-CB 3.49Å; P752-L908 WeakPolarHBondContact O-CG 3.33Å; P752-L908 PolarHBondContact O-N 3.17Å; V754-L908 HydrophobicContact CG2-CD2 4.17Å; L908-A910 VanDerWaalsContact C-N 3.26Å; L908-A910 PolarHBondContact O-N 2.66Å; L908-L911 HydrophobicContact CD2-CD1 3.9Å; L908-L911 WeakPolarHBondContact O-CA 3.44Å; L908-L911 WeakPolarHBondContact O-CB 3.17Å; L908-L911 PolarHBondContact O-N 3.08Å; L908-Y912 HydrophobicContact CB-CE2 4.13Å; L908-Y912 WeakPolarHBondContact O-CD2 3.3Å; L908-Y912 PolarHBondContact O-N 3.47Å
909	A	88.9	Confident	85.7	Confident	1 Å²	1	22.6 Å²	22.6	1%	0.008	12%	0.122	C	C	.	.	H	α-helix	trans	-54.1	-39.2	173.2	0	0	0	0	0	113.1	T695 L698 A699 L751 P907 L911 Y912 G913	T695-A909 HydrophobicContact CG2-CB 4.44Å; T695-A909 WeakPolarHBondContact O-CB 3.25Å; L698-A909 HydrophobicContact CB-CB 3.92Å; A699-A909 WeakPolarHBondContact CA-O 3.31Å; A699-A909 WeakPolarHBondContact CB-O 3.24Å; L751-A909 HydrophobicContact CD2-CB 4.34Å; P907-A909 PolarHBondContact O-N 3.02Å; P907-A909 VanDerWaalsContact O-N 3.07Å; A909-L911 VanDerWaalsContact C-N 3.31Å; A909-L911 PolarHBondContact O-N 3.48Å; A909-Y912 PolarHBondContact O-N 2.78Å; A909-G913 PolarHBondContact O-N 2.91Å
910	A	89.1	Confident	86	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65.6	-36.1	176.3	0	0	0	0	0	111.7	I738 I906 P907 L908 M914	I738-A910 HydrophobicContact CB-CB 3.96Å; I738-A910 HydrophobicContact CG1-CB 4.36Å; I738-A910 HydrophobicContact CG2-CB 3.85Å; I906-A910 HydrophobicContact CG2-CB 3.99Å; P907-A910 HydrophobicContact CG-CB 4.33Å; P907-A910 WeakPolarHBondContact O-CB 3.48Å; P907-A910 PolarHBondContact O-N 2.9Å; L908-A910 VanDerWaalsContact C-N 3.26Å; L908-A910 PolarHBondContact O-N 2.66Å; A910-M914 WeakPolarHBondContact O-CB 3.46Å; A910-M914 PolarHBondContact O-N 3.08Å
911	L	85.5	Confident	86.3	Confident	1 Å²	1	23.4 Å²	23.4	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-69.3	-41.6	177.8	-57.1	-175.2	0	0	0	111.7	I547 T548 M735 V754 I906 L908 A909 M914 F915	I547-L911 HydrophobicContact CG2-CD1 4.01Å; I547-L911 HydrophobicContact CG2-CD2 4.14Å; T548-L911 HydrophobicContact CG2-CB 4Å; M735-L911 HydrophobicContact CE-CD2 4.02Å; V754-L911 HydrophobicContact CG2-CD1 3.64Å; V754-L911 HydrophobicContact CG2-CG 4.39Å; I906-L911 HydrophobicContact CG2-CD2 4.39Å; L908-L911 HydrophobicContact CD2-CD1 3.9Å; L908-L911 WeakPolarHBondContact O-CA 3.44Å; L908-L911 WeakPolarHBondContact O-CB 3.17Å; L908-L911 PolarHBondContact O-N 3.08Å; A909-L911 VanDerWaalsContact C-N 3.31Å; A909-L911 PolarHBondContact O-N 3.48Å; L911-M914 HydrophobicContact CB-CE 4.36Å; L911-M914 HydrophobicContact CD2-CE 3.75Å; L911-M914 WeakPolarHBondContact O-CB 3.22Å; L911-M914 PolarHBondContact O-N 2.92Å; L911-F915 PolarHBondContact O-N 3.28Å
912	Y	87.7	Confident	86.1	Confident	26 Å²	26	21 Å²	21	10%	0.102	11%	0.113	C	C	.	.	H	α-helix	trans	-63.6	-43.4	175.4	-64.1	-37.4	0	0	0	112.4	T665 M666 L908 A909 M914 F915 L916	T665-Y912 HydrophobicContact CG2-CE1 3.57Å; T665-Y912 VanDerWaalsContact CG2-OH 3.31Å; T665-Y912 WeakPolarHBondContact CG2-OH 3.4Å; M666-Y912 HydrophobicContact CE-CG 4.46Å; M666-Y912 HydrophobicContact CG-CD2 3.86Å; M666-Y912 HydrophobicContact CG-CG 4Å; M666-Y912 HydrophobicContact SD-CG 4.47Å; L908-Y912 HydrophobicContact CB-CE2 4.13Å; L908-Y912 WeakPolarHBondContact O-CD2 3.3Å; L908-Y912 PolarHBondContact O-N 3.47Å; A909-Y912 PolarHBondContact O-N 2.78Å; Y912-M914 VanDerWaalsContact C-N 3.26Å; Y912-M914 PolarHBondContact O-N 3.25Å; Y912-F915 PolarHBondContact O-N 3.29Å; Y912-L916 PolarHBondContact O-N 3.48Å
913	G	89.1	Confident	86.3	Confident	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-62.4	-33.5	173.7	0	0	0	0	0	113.3	A699 A909 L916 Y917	A699-G913 WeakPolarHBondContact O-CA 3.42Å; A909-G913 PolarHBondContact O-N 2.91Å; G913-L916 PolarHBondContact O-N 2.94Å; G913-Y917 WeakPolarHBondContact O-CB 3.23Å; G913-Y917 PolarHBondContact O-N 3.09Å
914	M	86.7	Confident	86.4	Confident	1 Å²	1	20 Å²	20	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-71	-38	173.6	175.3	-105.4	-54.9	0	0	112.8	S544 T548 M702 V731 M735 A910 L911 Y912 Y917 M918	S544-M914 WeakPolarHBondContact O-CE 3.39Å; S544-M914 WeakPolarHBondContact OG-CE 3.39Å; S544-M914 VanDerWaalsContact OG-CG 3.25Å; S544-M914 WeakPolarHBondContact OG-CG 3.48Å; S544-M914 PolarHBondContact OG-SD 3.14Å; T548-M914 WeakPolarHBondContact OG1-CE 3.44Å; M702-M914 HydrophobicContact CE-CB 4.17Å; V731-M914 HydrophobicContact CG1-CG 3.85Å; M735-M914 HydrophobicContact CE-CE 3.61Å; M735-M914 HydrophobicContact CE-CG 4.49Å; A910-M914 WeakPolarHBondContact O-CB 3.46Å; A910-M914 PolarHBondContact O-N 3.08Å; L911-M914 HydrophobicContact CB-CE 4.36Å; L911-M914 HydrophobicContact CD2-CE 3.75Å; L911-M914 WeakPolarHBondContact O-CB 3.22Å; L911-M914 PolarHBondContact O-N 2.92Å; Y912-M914 VanDerWaalsContact C-N 3.26Å; Y912-M914 PolarHBondContact O-N 3.25Å; M914-Y917 PolarHBondContact O-N 3.4Å; M914-M918 HydrophobicContact CG-CE 4.4Å; M914-M918 WeakPolarHBondContact O-CG 3.47Å; M914-M918 PolarHBondContact O-N 3.18Å; M914-M918 HydrophobicContact SD-CE 3.33Å; M914-M918 WeakPolarHBondContact SD-CE 3.34Å; M914-M918 HydrophobicContact SD-SD 3.89Å
915	F	85	Confident	86	Confident	3 Å²	3	23.6 Å²	23.6	1%	0.013	12%	0.12	C	C	.	.	H	α-helix	trans	-61.1	-43.3	170.4	-90.7	17.6	0	0	0	112.1	T548 F549 L552 F658 A662 L911 Y912 Y917 M918 G919	T548-F915 HydrophobicContact CG2-CD1 3.61Å; T548-F915 HydrophobicContact CG2-CD2 4.04Å; T548-F915 HydrophobicContact CG2-CE1 3.21Å; T548-F915 HydrophobicContact CG2-CE2 3.64Å; T548-F915 HydrophobicContact CG2-CG 4.05Å; T548-F915 HydrophobicContact CG2-CZ 3.22Å; F549-F915 HydrophobicContact CD1-CZ 4.5Å; F549-F915 HydrophobicContact CE1-CZ 4.38Å; F549-F915 HydrophobicContact CE2-CZ 4.41Å; F549-F915 HydrophobicContact CZ-CZ 4.35Å; L552-F915 HydrophobicContact CD1-CE2 3.67Å; L552-F915 HydrophobicContact CD1-CZ 4.16Å; F658-F915 HydrophobicContact CD1-CD1 4.33Å; F658-F915 HydrophobicContact CD1-CD2 4.22Å; F658-F915 HydrophobicContact CD1-CE1 4.24Å; F658-F915 HydrophobicContact CD1-CE2 4.18Å; F658-F915 HydrophobicContact CD1-CG 4.28Å; F658-F915 HydrophobicContact CD1-CZ 4.17Å; F658-F915 HydrophobicContact CE1-CE1 4.1Å; F658-F915 HydrophobicContact CE1-CE2 4.45Å; F658-F915 HydrophobicContact CE1-CZ 4.03Å; A662-F915 HydrophobicContact CB-CB 3.7Å; L911-F915 PolarHBondContact O-N 3.28Å; Y912-F915 PolarHBondContact O-N 3.29Å; F915-Y917 VanDerWaalsContact C-N 3.32Å; F915-Y917 PolarHBondContact O-N 3.37Å; F915-M918 HydrophobicContact CD1-CE 3.35Å; F915-M918 HydrophobicContact CE1-CE 3.64Å; F915-M918 HydrophobicContact CG-CE 4.4Å; F915-M918 PolarHBondContact O-N 3.03Å; F915-G919 PolarHBondContact O-N 3.32Å
916	L	90.1	Very high	86	Confident	5 Å²	5	21.5 Å²	21.5	3%	0.026	11%	0.109	C	C	.	.	H	α-helix	trans	-57.7	-47.3	172.6	-71.2	177.2	0	0	0	111.1	L659 A662 L663 M666 F700 L703 Y912 G913 M918 G919 V920	L659-L916 HydrophobicContact CD2-CD2 4.11Å; A662-L916 HydrophobicContact CB-CD2 3.96Å; A662-L916 HydrophobicContact CB-CG 4.04Å; L663-L916 HydrophobicContact CD2-CD2 3.95Å; L663-L916 HydrophobicContact CG-CD2 3.9Å; M666-L916 HydrophobicContact CE-CD1 3.51Å; M666-L916 HydrophobicContact CE-CD2 4.32Å; M666-L916 HydrophobicContact CE-CG 3.79Å; F700-L916 HydrophobicContact CE1-CD1 4.45Å; L703-L916 HydrophobicContact CD1-CB 4.19Å; L703-L916 HydrophobicContact CD2-CB 4.22Å; L703-L916 HydrophobicContact CD2-CD1 4.36Å; Y912-L916 PolarHBondContact O-N 3.48Å; G913-L916 PolarHBondContact O-N 2.94Å; L916-M918 PolarHBondContact O-N 3.16Å; L916-G919 PolarHBondContact O-N 3.49Å; L916-V920 WeakPolarHBondContact O-CG2 3.41Å; L916-V920 PolarHBondContact O-N 3.26Å
917	Y	88	Confident	85.9	Confident	28 Å²	28	21.4 Å²	21.4	11%	0.11	11%	0.109	C	C	.	.	H	α-helix	trans	-60.7	-45.2	179.3	168.9	-96.9	0	0	0	112.5	C706 L707 N730 V731 G913 M914 F915 G919 V920 M921	C706-Y917 HydrophobicContact CB-CD1 4.43Å; C706-Y917 HydrophobicContact CB-CD2 3.31Å; C706-Y917 HydrophobicContact CB-CE2 3.59Å; C706-Y917 HydrophobicContact CB-CG 3.78Å; L707-Y917 HydrophobicContact CD2-CD2 4.2Å; L707-Y917 HydrophobicContact CD2-CE2 4.39Å; N730-Y917 VanDerWaalsContact ND2-CZ 3.3Å; N730-Y917 PolarHBondContact ND2-OH 2.94Å; V731-Y917 HydrophobicContact CG2-CD1 3.96Å; V731-Y917 HydrophobicContact CG2-CE1 3.75Å; G913-Y917 WeakPolarHBondContact O-CB 3.23Å; G913-Y917 PolarHBondContact O-N 3.09Å; M914-Y917 PolarHBondContact O-N 3.4Å; F915-Y917 VanDerWaalsContact C-N 3.32Å; F915-Y917 PolarHBondContact O-N 3.37Å; Y917-G919 VanDerWaalsContact C-N 3.34Å; Y917-V920 PolarHBondContact O-N 2.74Å; Y917-M921 HydrophobicContact CD2-CE 4.32Å; Y917-M921 HydrophobicContact CD2-CG 4.07Å; Y917-M921 HydrophobicContact CE1-CG 4.01Å; Y917-M921 HydrophobicContact CE2-CE 3.62Å; Y917-M921 HydrophobicContact CE2-CG 3.54Å; Y917-M921 HydrophobicContact CE2-SD 4.26Å; Y917-M921 VanDerWaalsContact CZ-CG 3.46Å; Y917-M921 WeakPolarHBondContact O-CB 3.24Å; Y917-M921 WeakPolarHBondContact O-CG 3.31Å; Y917-M921 PolarHBondContact O-N 2.88Å
918	M	83.1	Confident	85.9	Confident	29 Å²	29	21.8 Å²	21.8	14%	0.143	11%	0.111	C	C	.	.	H	α-helix	trans	-65.7	-37.1	177.3	-70.7	-169.3	-57.8	0	0	112.4	P545 F658 M914 F915 L916 G922	P545-M918 HydrophobicContact CB-CE 4.34Å; P545-M918 HydrophobicContact CB-SD 4.45Å; P545-M918 HydrophobicContact CG-CE 4.1Å; P545-M918 HydrophobicContact CG-SD 3.62Å; F658-M918 HydrophobicContact CE1-CE 4.48Å; M914-M918 HydrophobicContact CG-CE 4.4Å; M914-M918 WeakPolarHBondContact O-CG 3.47Å; M914-M918 PolarHBondContact O-N 3.18Å; M914-M918 HydrophobicContact SD-CE 3.33Å; M914-M918 WeakPolarHBondContact SD-CE 3.34Å; M914-M918 HydrophobicContact SD-SD 3.89Å; F915-M918 HydrophobicContact CD1-CE 3.35Å; F915-M918 HydrophobicContact CE1-CE 3.64Å; F915-M918 HydrophobicContact CG-CE 4.4Å; F915-M918 PolarHBondContact O-N 3.03Å; L916-M918 PolarHBondContact O-N 3.16Å; M918-G922 PolarHBondContact O-N 2.91Å
919	G	87	Confident	86	Confident	0 Å²	0	22 Å²	22	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-60.5	-50.6	172.8	0	0	0	0	0	112.2	G655 F915 L916 Y917 G922 L923	G655-G919 WeakPolarHBondContact O-CA 3.41Å; F915-G919 PolarHBondContact O-N 3.32Å; L916-G919 PolarHBondContact O-N 3.49Å; Y917-G919 VanDerWaalsContact C-N 3.34Å; G919-G922 PolarHBondContact O-N 2.87Å; G919-L923 WeakPolarHBondContact O-CG 3.29Å; G919-L923 PolarHBondContact O-N 3.43Å
920	V	89.5	Confident	85.9	Confident	52 Å²	52	24.2 Å²	24.2	32%	0.315	13%	0.125	S	C	.	.	H	α-helix	trans	-62.9	-45.5	177.9	175.9	0	0	0	0	111.8	L659 L703 L707 L916 Y917 G922 L923 R924	L659-V920 HydrophobicContact CD2-CG2 3.91Å; L703-V920 HydrophobicContact CD1-CG2 4.33Å; L707-V920 HydrophobicContact CD2-CG1 4.24Å; L916-V920 WeakPolarHBondContact O-CG2 3.41Å; L916-V920 PolarHBondContact O-N 3.26Å; Y917-V920 PolarHBondContact O-N 2.74Å; V920-G922 VanDerWaalsContact C-N 3.34Å; V920-G922 PolarHBondContact O-N 3.4Å; V920-L923 PolarHBondContact O-N 3.27Å; V920-R924 PolarHBondContact O-N 3.46Å; V920-R924 VanDerWaalsContact O-N 3.14Å
921	M	83.9	Confident	85.9	Confident	32 Å²	32	24.4 Å²	24.4	16%	0.158	13%	0.125	C	C	.	.	H	α-helix	trans	-67.9	-33.8	179.7	-73.8	-65.4	151.6	0	0	112.8	L707 A710 Y917 L923 R924	L707-M921 HydrophobicContact CD2-CE 3.25Å; A710-M921 HydrophobicContact CB-CE 3.83Å; Y917-M921 HydrophobicContact CD2-CE 4.32Å; Y917-M921 HydrophobicContact CD2-CG 4.07Å; Y917-M921 HydrophobicContact CE1-CG 4.01Å; Y917-M921 HydrophobicContact CE2-CE 3.62Å; Y917-M921 HydrophobicContact CE2-CG 3.54Å; Y917-M921 HydrophobicContact CE2-SD 4.26Å; Y917-M921 VanDerWaalsContact CZ-CG 3.46Å; Y917-M921 WeakPolarHBondContact O-CB 3.24Å; Y917-M921 WeakPolarHBondContact O-CG 3.31Å; Y917-M921 PolarHBondContact O-N 2.88Å; M921-L923 PolarHBondContact O-N 3.44Å; M921-R924 VanDerWaalsContact CE-NH1 3.35Å; M921-R924 PolarHBondContact SD-NH1 2.89Å
922	G	79.2	Confident	86	Confident	13 Å²	13	27.1 Å²	27.1	13%	0.134	14%	0.139	C	C	.	.	H	α-helix	trans	-63.4	-28.5	175	0	0	0	0	0	113.2	M918 G919 V920 L926	M918-G922 PolarHBondContact O-N 2.91Å; G919-G922 PolarHBondContact O-N 2.87Å; V920-G922 VanDerWaalsContact C-N 3.34Å; V920-G922 PolarHBondContact O-N 3.4Å; G922-L926 WeakPolarHBondContact O-CD1 3.3Å; G922-L926 WeakPolarHBondContact O-CG 3.35Å
923	L	88	Confident	86.1	Confident	22 Å²	22	28.7 Å²	28.7	12%	0.115	15%	0.153	C	C	.	.	H	α-helix	trans	-89.8	-31.7	179.6	-64.4	177.7	0	0	0	113.9	F656 L659 G919 V920 M921 D925 L926 V929	F656-L923 HydrophobicContact CD1-CD1 4.32Å; F656-L923 HydrophobicContact CD2-CD2 4.32Å; F656-L923 HydrophobicContact CE1-CD1 4.08Å; F656-L923 HydrophobicContact CE2-CD1 4.41Å; F656-L923 HydrophobicContact CE2-CD2 4.24Å; F656-L923 HydrophobicContact CZ-CD1 4.12Å; L659-L923 HydrophobicContact CD1-CD1 3.72Å; G919-L923 WeakPolarHBondContact O-CG 3.29Å; G919-L923 PolarHBondContact O-N 3.43Å; V920-L923 PolarHBondContact O-N 3.27Å; M921-L923 PolarHBondContact O-N 3.44Å; L923-D925 PolarHBondContact O-N 2.99Å; L923-L926 HydrophobicContact CD2-CD1 4.19Å; L923-L926 PolarHBondContact O-N 3.24Å; L923-V929 WeakPolarHBondContact O-CG2 3.4Å
924	R	83.8	Confident	85.9	Confident	74 Å²	74	28.7 Å²	28.7	28%	0.279	15%	0.153	S	C	.	.	H	α-helix	trans	-58.7	-40.4	-167	-169.2	-174.4	69.5	-157.3	-15	114.7	V920 M921	V920-R924 PolarHBondContact O-N 3.46Å; V920-R924 VanDerWaalsContact O-N 3.14Å; M921-R924 VanDerWaalsContact CE-NH1 3.35Å; M921-R924 PolarHBondContact SD-NH1 2.89Å
925	D	76	Confident	85.9	Confident	104 Å²	104	31 Å²	31	56%	0.556	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.7	13.7	-168.9	-57.5	-29	0	0	0	112.5	L923	L923-D925 PolarHBondContact O-N 2.99Å
926	L	84.6	Confident	86	Confident	14 Å²	14	38.5 Å²	38.5	7%	0.073	20%	0.202	C	C	.	.			trans	-80.4	129.5	176.6	-64	177.6	0	0	0	111.4	N651 G922 L923 F928 V929 L930	N651-L926 HydrophobicContact CB-CD1 4.2Å; N651-L926 HydrophobicContact CB-CD2 3.7Å; G922-L926 WeakPolarHBondContact O-CD1 3.3Å; G922-L926 WeakPolarHBondContact O-CG 3.35Å; L923-L926 HydrophobicContact CD2-CD1 4.19Å; L923-L926 PolarHBondContact O-N 3.24Å; L926-F928 PolarHBondContact O-N 3.42Å; L926-V929 HydrophobicContact CB-CB 4.34Å; L926-V929 HydrophobicContact CB-CG2 4.1Å; L926-V929 HydrophobicContact CD1-CG2 4.44Å; L926-V929 PolarHBondContact O-N 3.19Å; L926-L930 WeakPolarHBondContact O-CG 3.4Å; L926-L930 PolarHBondContact O-N 3.36Å
927	T	85.4	Confident	85.9	Confident	14 Å²	14	42 Å²	42	9%	0.086	22%	0.217	C	C	.	.	H	α-helix	trans	-57.7	-36.1	178.1	-30.3	0	0	0	0	112.4	R644 E648 L930 R931 C947	R644-T927 VanDerWaalsContact CZ-OG1 3.3Å; R644-T927 PolarHBondContact NE-OG1 3.43Å; R644-T927 PolarHBondContact NH2-OG1 3.33Å; E648-T927 WeakPolarHBondContact OE1-CB 3.44Å; E648-T927 PolarHBondContact OE1-OG1 2.92Å; T927-L930 CarbonylContact O-C 3.53Å; T927-L930 PolarHBondContact O-N 3.48Å; T927-R931 WeakPolarHBondContact O-CB 3.22Å; T927-R931 WeakPolarHBondContact O-CG 3.36Å; T927-R931 PolarHBondContact O-N 3.2Å; T927-C947 HydrophobicContact CG2-CB 3.44Å; T927-C947 VanDerWaalsContact CG2-CB 3.44Å
928	F	88.2	Confident	85.8	Confident	8 Å²	8	50.3 Å²	50.3	4%	0.035	25%	0.249	C	C	.	.	H	α-helix	trans	-52.9	-51.5	171.4	165.2	-116.3	0	0	0	112.2	E648 L926 R931 I932 S960 Q963 A964 V967	E648-F928 HydrophobicContact CB-CB 4.22Å; E648-F928 PolarHBondContact OE2-N 3.15Å; L926-F928 PolarHBondContact O-N 3.42Å; F928-R931 PolarHBondContact O-N 3.5Å; F928-I932 HydrophobicContact CD2-CD1 4.1Å; F928-I932 HydrophobicContact CE1-CD1 4.05Å; F928-I932 HydrophobicContact CE2-CD1 3.39Å; F928-I932 HydrophobicContact CE2-CG1 4.18Å; F928-I932 HydrophobicContact CZ-CD1 3.35Å; F928-I932 PolarHBondContact O-N 2.83Å; F928-I932 VanDerWaalsContact O-N 3.07Å; F928-S960 WeakPolarHBondContact CE2-O 3.41Å; F928-Q963 HydrophobicContact CD2-CB 3.52Å; F928-Q963 HydrophobicContact CD2-CG 4.33Å; F928-Q963 VanDerWaalsContact CD2-OE1 3.28Å; F928-Q963 HydrophobicContact CE2-CB 3.46Å; F928-Q963 VanDerWaalsContact CE2-CB 3.46Å; F928-Q963 HydrophobicContact CG-CB 4.43Å; F928-Q963 HydrophobicContact CZ-CB 4.35Å; F928-A964 HydrophobicContact CE2-CB 4.05Å; F928-A964 HydrophobicContact CZ-CB 3.87Å; F928-V967 HydrophobicContact CE1-CG2 4.25Å
929	V	87.1	Confident	85.8	Confident	36 Å²	36	57.1 Å²	57.1	22%	0.218	27%	0.273	C	S	.	.	H	α-helix	trans	-66	-41	177.7	176.5	0	0	0	0	110.5	L923 L926 R931 I932 C933	L923-V929 WeakPolarHBondContact O-CG2 3.4Å; L926-V929 HydrophobicContact CB-CB 4.34Å; L926-V929 HydrophobicContact CB-CG2 4.1Å; L926-V929 HydrophobicContact CD1-CG2 4.44Å; L926-V929 PolarHBondContact O-N 3.19Å; V929-R931 VanDerWaalsContact C-N 3.32Å; V929-R931 PolarHBondContact O-N 3.19Å; V929-I932 PolarHBondContact O-N 2.92Å; V929-C933 WeakPolarHBondContact O-CB 3.28Å; V929-C933 PolarHBondContact O-N 3.17Å; V929-C933 PolarHBondContact O-SG 2.98Å
930	L	87.5	Confident	85.6	Confident	46 Å²	46	65.7 Å²	65.7	24%	0.241	31%	0.31	C	S	.	.	H	α-helix	trans	-63.2	-35.8	176.6	-61	-176.4	0	0	0	112.8	L926 T927 C933 S934 W945	L926-L930 WeakPolarHBondContact O-CG 3.4Å; L926-L930 PolarHBondContact O-N 3.36Å; T927-L930 CarbonylContact O-C 3.53Å; T927-L930 PolarHBondContact O-N 3.48Å; L930-C933 PolarHBondContact O-N 3.43Å; L930-S934 WeakPolarHBondContact O-CB 3.4Å; L930-S934 PolarHBondContact O-N 2.69Å; L930-S934 PolarHBondContact O-OG 3.49Å; L930-W945 HydrophobicContact CB-CE3 4.24Å; L930-W945 HydrophobicContact CB-CZ3 4Å; L930-W945 HydrophobicContact CD1-CE3 4.46Å; L930-W945 HydrophobicContact CD1-CZ3 4.06Å; L930-W945 HydrophobicContact CD2-CH2 4.05Å; L930-W945 HydrophobicContact CD2-CZ3 3.53Å; L930-W945 HydrophobicContact CG-CZ3 4.04Å
931	R	88.5	Confident	85.2	Confident	4 Å²	4	67 Å²	67	2%	0.015	31%	0.313	C	S	.	.	H	α-helix	trans	-66.4	-41.5	173.2	-77.5	-171.6	-67.7	-117.6	-10.5	111.6	E648 T927 F928 V929 S934 L935 C947 I956 L1017	E648-R931 IonicContact OE2-CZ 3.01Å; E648-R931 IonicContact OE2-NH2 2.88Å; E648-R931 PolarHBondContact OE2-NH2 2.85Å; T927-R931 WeakPolarHBondContact O-CB 3.22Å; T927-R931 WeakPolarHBondContact O-CG 3.36Å; T927-R931 PolarHBondContact O-N 3.2Å; F928-R931 PolarHBondContact O-N 3.5Å; V929-R931 VanDerWaalsContact C-N 3.32Å; V929-R931 PolarHBondContact O-N 3.19Å; R931-S934 WeakPolarHBondContact CA-OG 3.36Å; R931-S934 PolarHBondContact O-N 2.8Å; R931-S934 PolarHBondContact O-OG 2.94Å; R931-L935 WeakPolarHBondContact O-CG 3.4Å; R931-L935 PolarHBondContact O-N 3.44Å; R931-C947 HydrophobicContact CG-CB 4.47Å; R931-I956 HydrophobicContact CB-CG2 4.38Å; R931-I956 HydrophobicContact CG-CG2 4.35Å; R931-L1017 PolarHBondContact NH1-O 3.23Å
932	I	88.6	Confident	85	Confident	58 Å²	58	66.8 Å²	66.8	30%	0.297	31%	0.31	S	S	.	.	H	α-helix	trans	-63.8	-47.1	174.4	-68.4	174.5	0	0	0	110.2	F928 V929 S934 L935 M936	F928-I932 HydrophobicContact CD2-CD1 4.1Å; F928-I932 HydrophobicContact CE1-CD1 4.05Å; F928-I932 HydrophobicContact CE2-CD1 3.39Å; F928-I932 HydrophobicContact CE2-CG1 4.18Å; F928-I932 HydrophobicContact CZ-CD1 3.35Å; F928-I932 PolarHBondContact O-N 2.83Å; F928-I932 VanDerWaalsContact O-N 3.07Å; V929-I932 PolarHBondContact O-N 2.92Å; I932-S934 VanDerWaalsContact C-N 3.3Å; I932-S934 PolarHBondContact O-N 3.21Å; I932-L935 PolarHBondContact O-N 3.23Å; I932-M936 WeakPolarHBondContact O-CG 3.5Å; I932-M936 PolarHBondContact O-N 3.46Å
933	C	88.7	Confident	84.4	Confident	59 Å²	59	73.1 Å²	73.1	40%	0.399	34%	0.336	S	S	.	.	H	α-helix	trans	-61.4	-36.4	177.3	-69.9	0	0	0	0	112.7	V929 L930 M936 K937	V929-C933 WeakPolarHBondContact O-CB 3.28Å; V929-C933 PolarHBondContact O-N 3.17Å; V929-C933 PolarHBondContact O-SG 2.98Å; L930-C933 PolarHBondContact O-N 3.43Å; C933-M936 PolarHBondContact O-N 2.83Å; C933-K937 PolarHBondContact O-N 2.99Å
934	S	84.9	Confident	83.5	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-71.3	-36.1	177.6	72	0	0	0	0	112.2	L930 R931 I932 M936 K937 W942 V948	L930-S934 WeakPolarHBondContact O-CB 3.4Å; L930-S934 PolarHBondContact O-N 2.69Å; L930-S934 PolarHBondContact O-OG 3.49Å; R931-S934 WeakPolarHBondContact CA-OG 3.36Å; R931-S934 PolarHBondContact O-N 2.8Å; R931-S934 PolarHBondContact O-OG 2.94Å; I932-S934 VanDerWaalsContact C-N 3.3Å; I932-S934 PolarHBondContact O-N 3.21Å; S934-M936 PolarHBondContact O-N 3.32Å; S934-K937 PolarHBondContact O-N 2.84Å; S934-W942 PolarHBondContact O-NE1 3.17Å; S934-V948 WeakPolarHBondContact OG-CG2 3.45Å
935	L	86.6	Confident	82.8	Confident	49 Å²	49	77 Å²	77	26%	0.257	36%	0.357	S	S	.	.	H	α-helix	trans	-62.8	-31.3	173.3	-71.4	166.9	0	0	0	112	R931 I932 W942 I956 L957	R931-L935 WeakPolarHBondContact O-CG 3.4Å; R931-L935 PolarHBondContact O-N 3.44Å; I932-L935 PolarHBondContact O-N 3.23Å; L935-W942 HydrophobicContact CD2-CH2 3.87Å; L935-W942 HydrophobicContact CD2-CZ2 4.01Å; L935-I956 HydrophobicContact CD1-CG2 4.22Å; L935-I956 HydrophobicContact CD2-CB 4.48Å; L935-I956 HydrophobicContact CD2-CG2 4.1Å; L935-I956 HydrophobicContact CG-CG2 4.21Å; L935-L957 HydrophobicContact CD1-CB 4.38Å; L935-L957 HydrophobicContact CD1-CD1 3.91Å; L935-L957 HydrophobicContact CD2-CB 4.24Å
936	M	87.9	Confident	82.3	Confident	161 Å²	161	80.1 Å²	80.1	79%	0.793	37%	0.369	S	S	*	.	H	α-helix	trans	-77.5	-17.9	172.9	-63.2	178.9	73.6	0	0	113.4	I932 C933 S934	I932-M936 WeakPolarHBondContact O-CG 3.5Å; I932-M936 PolarHBondContact O-N 3.46Å; C933-M936 PolarHBondContact O-N 2.83Å; S934-M936 PolarHBondContact O-N 3.32Å
937	K	87.4	Confident	81.5	Confident	78 Å²	78	80.8 Å²	80.8	34%	0.339	37%	0.374	S	S	.	.	S	Bend	trans	-87.6	145.5	179.3	-161.4	178.6	-173.9	-168.4	0	110.8	C933 S934 R939 H941 W942 D944	C933-K937 PolarHBondContact O-N 2.99Å; S934-K937 PolarHBondContact O-N 2.84Å; K937-R939 PolarHBondContact O-N 3.36Å; K937-H941 HydrophobicContact CD-CB 3.68Å; K937-H941 HydrophobicContact CG-CB 4.17Å; K937-W942 PolarHBondContact O-NE1 3.41Å; K937-W942 VanDerWaalsContact O-NE1 3.15Å; K937-D944 IonicContact NZ-OD2 3.93Å; K937-D944 PolarHBondContact NZ-OD2 3.37Å
938	R	86.9	Confident	81.1	Confident	203 Å²	203	80.2 Å²	80.2	77%	0.766	37%	0.37	S	S	*	.			trans	-57.3	136	175.5	-168.5	175.2	-176.2	175.8	1.8	111.1	K940 H941	R938-K940 PolarHBondContact O-N 3.34Å; R938-H941 PolarHBondContact O-N 2.98Å
939	R	81.9	Confident	80.3	Confident	173 Å²	173	83.5 Å²	83.5	65%	0.653	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-50.8	-31.9	-174.2	-162.5	173.6	-178	-177.6	-2.2	115.3	K937 H941 W942	K937-R939 PolarHBondContact O-N 3.36Å; R939-H941 PolarHBondContact O-N 2.92Å; R939-H941 VanDerWaalsContact O-N 3.08Å; R939-W942 HydrophobicContact CG-CD2 4.17Å; R939-W942 HydrophobicContact CG-CE3 4.46Å; R939-W942 HydrophobicContact CG-CG 4.35Å; R939-W942 WeakPolarHBondContact O-CB 3.49Å; R939-W942 PolarHBondContact O-N 3.16Å
940	K	82.3	Confident	79.5	Confident	179 Å²	179	84.6 Å²	84.6	78%	0.778	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-53.7	-28.8	176.4	-171.4	-179.9	178.3	-178.2	0	113.4	R938	R938-K940 PolarHBondContact O-N 3.34Å
941	H	82.1	Confident	79	Confident	81 Å²	81	83.1 Å²	83.1	38%	0.375	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-102.1	13.9	-177.3	-54.7	95	0	0	0	113.6	K937 R938 R939 E943	K937-H941 HydrophobicContact CD-CB 3.68Å; K937-H941 HydrophobicContact CG-CB 4.17Å; R938-H941 PolarHBondContact O-N 2.98Å; R939-H941 PolarHBondContact O-N 2.92Å; R939-H941 VanDerWaalsContact O-N 3.08Å; H941-E943 VanDerWaalsContact C-N 3.3Å
942	W	78.9	Confident	78.8	Confident	27 Å²	27	84.6 Å²	84.6	10%	0.102	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-71.5	-28.4	180	-79.6	23.4	0	0	0	112.3	S934 L935 K937 R939 D944 W945 V948 S953 I956	S934-W942 PolarHBondContact O-NE1 3.17Å; L935-W942 HydrophobicContact CD2-CH2 3.87Å; L935-W942 HydrophobicContact CD2-CZ2 4.01Å; K937-W942 PolarHBondContact O-NE1 3.41Å; K937-W942 VanDerWaalsContact O-NE1 3.15Å; R939-W942 HydrophobicContact CG-CD2 4.17Å; R939-W942 HydrophobicContact CG-CE3 4.46Å; R939-W942 HydrophobicContact CG-CG 4.35Å; R939-W942 WeakPolarHBondContact O-CB 3.49Å; R939-W942 PolarHBondContact O-N 3.16Å; W942-D944 PolarHBondContact O-N 2.98Å; W942-W945 PolarHBondContact O-N 3.5Å; W942-V948 HydrophobicContact CB-CG1 4.04Å; W942-V948 HydrophobicContact CD2-CG1 3.47Å; W942-V948 VanDerWaalsContact CD2-CG1 3.47Å; W942-V948 HydrophobicContact CE3-CG1 3.09Å; W942-V948 HydrophobicContact CG-CG1 3.93Å; W942-V948 HydrophobicContact CH2-CG1 4.34Å; W942-V948 HydrophobicContact CZ3-CG1 3.57Å; W942-S953 VanDerWaalsContact CH2-CB 3.49Å; W942-I956 HydrophobicContact CH2-CD1 4.35Å; W942-I956 HydrophobicContact CZ3-CD1 3.78Å
943	E	67.2	Low	78.6	Confident	145 Å²	145	83.9 Å²	83.9	68%	0.678	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-64.2	-22.3	-179.9	-64.6	-177	-176.6	0	0	113.2	H941 W945 R949	H941-E943 VanDerWaalsContact C-N 3.3Å; E943-W945 PolarHBondContact O-N 3.3Å; E943-R949 VanDerWaalsContact O-CZ 3.3Å; E943-R949 PolarHBondContact O-NE 2.99Å; E943-R949 PolarHBondContact O-NH2 3.47Å
944	D	68.7	Low	78.5	Confident	106 Å²	106	90.1 Å²	90.1	57%	0.567	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-64	-25.9	174.5	-58.4	-25.4	0	0	0	112.1	K937 W942	K937-D944 IonicContact NZ-OD2 3.93Å; K937-D944 PolarHBondContact NZ-OD2 3.37Å; W942-D944 PolarHBondContact O-N 2.98Å
945	W	68.5	Low	78.7	Confident	72 Å²	72	91 Å²	91	27%	0.273	42%	0.423	S	S	.	.			trans	-103.5	116.1	-171	-61.3	86.1	0	0	0	111.9	L930 W942 E943 C947 V948 R949	L930-W945 HydrophobicContact CB-CE3 4.24Å; L930-W945 HydrophobicContact CB-CZ3 4Å; L930-W945 HydrophobicContact CD1-CE3 4.46Å; L930-W945 HydrophobicContact CD1-CZ3 4.06Å; L930-W945 HydrophobicContact CD2-CH2 4.05Å; L930-W945 HydrophobicContact CD2-CZ3 3.53Å; L930-W945 HydrophobicContact CG-CZ3 4.04Å; W942-W945 PolarHBondContact O-N 3.5Å; E943-W945 PolarHBondContact O-N 3.3Å; W945-C947 PolarHBondContact O-N 3.01Å; W945-V948 HydrophobicContact CB-CB 4.42Å; W945-V948 PolarHBondContact O-N 3.45Å; W945-R949 PolarHBondContact O-N 2.87Å
946	E	66.6	Low	78.8	Confident	170 Å²	170	88.7 Å²	88.7	79%	0.794	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-30.6	178.8	-65.1	177.1	173.4	0	0	113.5	V948	E946-V948 VanDerWaalsContact C-N 3.29Å; E946-V948 PolarHBondContact O-N 3.4Å
947	C	67.9	Low	78.9	Confident	27 Å²	27	84.8 Å²	84.8	18%	0.182	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-11.1	-176.2	58.2	0	0	0	0	114.8	T927 R931 W945	T927-C947 HydrophobicContact CG2-CB 3.44Å; T927-C947 VanDerWaalsContact CG2-CB 3.44Å; R931-C947 HydrophobicContact CG-CB 4.47Å; W945-C947 PolarHBondContact O-N 3.01Å
948	V	77	Confident	79.1	Confident	2 Å²	2	83 Å²	83	1%	0.012	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.9	-12.5	-169.8	172.2	0	0	0	0	112	S934 W942 W945 E946 G950 L951 I956	S934-V948 WeakPolarHBondContact OG-CG2 3.45Å; W942-V948 HydrophobicContact CB-CG1 4.04Å; W942-V948 HydrophobicContact CD2-CG1 3.47Å; W942-V948 VanDerWaalsContact CD2-CG1 3.47Å; W942-V948 HydrophobicContact CE3-CG1 3.09Å; W942-V948 HydrophobicContact CG-CG1 3.93Å; W942-V948 HydrophobicContact CH2-CG1 4.34Å; W942-V948 HydrophobicContact CZ3-CG1 3.57Å; W945-V948 HydrophobicContact CB-CB 4.42Å; W945-V948 PolarHBondContact O-N 3.45Å; E946-V948 VanDerWaalsContact C-N 3.29Å; E946-V948 PolarHBondContact O-N 3.4Å; V948-G950 PolarHBondContact O-N 2.8Å; V948-L951 PolarHBondContact O-N 3.24Å; V948-I956 HydrophobicContact CB-CD1 4.35Å; V948-I956 HydrophobicContact CG1-CD1 3.76Å; V948-I956 HydrophobicContact CG2-CD1 4.46Å
949	R	71.8	Confident	79.3	Confident	77 Å²	77	73.4 Å²	73.4	29%	0.291	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	125.8	-176.3	-166.6	179	-68.2	151.9	4.5	111.4	E943 W945 L951 R1089	E943-R949 VanDerWaalsContact O-CZ 3.3Å; E943-R949 PolarHBondContact O-NE 2.99Å; E943-R949 PolarHBondContact O-NH2 3.47Å; W945-R949 PolarHBondContact O-N 2.87Å; R949-L951 VanDerWaalsContact C-N 3.28Å; R949-L951 PolarHBondContact O-N 2.85Å; R949-R1089 VanDerWaalsContact CD-O 3.3Å; R949-R1089 WeakPolarHBondContact CD-O 3.19Å; R949-R1089 PolarHBondContact NH1-O 3.14Å
950	G	70.7	Confident	79.8	Confident	59 Å²	59	65.3 Å²	65.3	61%	0.608	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.4	3.3	177.4	0	0	0	0	0	115.6	V948	V948-G950 PolarHBondContact O-N 2.8Å
951	L	77	Confident	80.3	Confident	16 Å²	16	61.7 Å²	61.7	8%	0.084	31%	0.311	C	S	.	.			trans	-101.4	137.4	-175.2	-74.7	163.4	0	0	0	112.1	V948 R949 S953 I956 Y1013 Q1016 L1017	V948-L951 PolarHBondContact O-N 3.24Å; R949-L951 VanDerWaalsContact C-N 3.28Å; R949-L951 PolarHBondContact O-N 2.85Å; L951-S953 PolarHBondContact O-N 3.46Å; L951-I956 HydrophobicContact CB-CD1 3.58Å; L951-I956 HydrophobicContact CB-CG1 3.93Å; L951-I956 HydrophobicContact CD1-CG1 4.44Å; L951-Y1013 HydrophobicContact CD2-CD1 3.66Å; L951-Y1013 HydrophobicContact CD2-CG 4.08Å; L951-Q1016 HydrophobicContact CD2-CB 4.1Å; L951-L1017 HydrophobicContact CD1-CD2 3.78Å; L951-L1017 HydrophobicContact CD1-CG 4.27Å; L951-L1017 HydrophobicContact CD2-CG 4.35Å
952	P	83	Confident	80.8	Confident	34 Å²	34	60.1 Å²	60.1	22%	0.221	30%	0.304	C	S	.	.			trans	-64.6	133.2	173.7	24.7	-33.8	0	0	0	111.7	R954 H955 I956 Y1013	P952-R954 VanDerWaalsContact C-N 3.33Å; P952-R954 PolarHBondContact O-N 2.87Å; P952-H955 WeakPolarHBondContact CB-ND1 3.4Å; P952-H955 HydrophobicContact CG-CB 4.2Å; P952-H955 WeakPolarHBondContact CG-ND1 3.38Å; P952-H955 PolarHBondContact O-N 3.35Å; P952-I956 PolarHBondContact O-N 2.9Å; P952-Y1013 HydrophobicContact CG-CD1 4.3Å; P952-Y1013 HydrophobicContact CG-CD2 3.85Å; P952-Y1013 HydrophobicContact CG-CE1 4Å; P952-Y1013 HydrophobicContact CG-CE2 3.51Å; P952-Y1013 HydrophobicContact CG-CG 4.22Å
953	S	84.5	Confident	81.4	Confident	43 Å²	43	58.8 Å²	58.8	30%	0.301	30%	0.299	S	S	.	.	H	α-helix	trans	-57	-40.1	-172.9	57.7	0	0	0	0	114.2	W942 L951 H955 I956 L957	W942-S953 VanDerWaalsContact CH2-CB 3.49Å; L951-S953 PolarHBondContact O-N 3.46Å; S953-H955 VanDerWaalsContact C-N 3.31Å; S953-H955 PolarHBondContact O-N 3.32Å; S953-I956 PolarHBondContact O-N 2.77Å; S953-L957 PolarHBondContact O-N 2.95Å
954	R	87.8	Confident	82.7	Confident	191 Å²	191	53.4 Å²	53.4	72%	0.721	28%	0.28	S	S	*	.	H	α-helix	trans	-60.3	-40	-178.7	-64.3	-176.7	-179	171.4	0.4	112.2	P952 L957 V958 W1009	P952-R954 VanDerWaalsContact C-N 3.33Å; P952-R954 PolarHBondContact O-N 2.87Å; R954-L957 PolarHBondContact O-N 3.36Å; R954-V958 WeakPolarHBondContact O-CG2 3.43Å; R954-V958 PolarHBondContact O-N 3.35Å; R954-W1009 HydrophobicContact CB-CH2 4.03Å; R954-W1009 HydrophobicContact CB-CZ2 3.98Å
955	H	88.8	Confident	84	Confident	18 Å²	18	50.7 Å²	50.7	8%	0.083	27%	0.272	C	S	.	.	H	α-helix	trans	-72.4	-39.2	-177.4	-59.5	76.5	0	0	0	111.1	P952 S953 L957 F959 W1009 L1010 Y1013	P952-H955 WeakPolarHBondContact CB-ND1 3.4Å; P952-H955 HydrophobicContact CG-CB 4.2Å; P952-H955 WeakPolarHBondContact CG-ND1 3.38Å; P952-H955 PolarHBondContact O-N 3.35Å; S953-H955 VanDerWaalsContact C-N 3.31Å; S953-H955 PolarHBondContact O-N 3.32Å; H955-L957 VanDerWaalsContact C-N 3.34Å; H955-F959 WeakPolarHBondContact O-CB 3.3Å; H955-F959 PolarHBondContact O-N 3.43Å; H955-W1009 HydrophobicContact CB-CH2 4.4Å; H955-W1009 AromaticContact CD2-CD2 3.77Å; H955-W1009 AromaticContact CD2-CE2 3.68Å; H955-W1009 AromaticContact CD2-CE3 3.81Å; H955-W1009 AromaticContact CD2-CH2 3.75Å; H955-W1009 AromaticContact CD2-CZ2 3.69Å; H955-W1009 AromaticContact CD2-CZ3 3.81Å; H955-W1009 PolarHBondContact CD2-O 2.9Å; H955-W1009 VanDerWaalsContact CD2-O 3.29Å; H955-W1009 AromaticContact CE1-CE2 3.52Å; H955-W1009 AromaticContact CE1-CZ2 3.43Å; H955-W1009 VanDerWaalsContact CE1-CZ2 3.43Å; H955-W1009 WeakPolarHBondContact CE1-CZ2 3.47Å; H955-W1009 AromaticContact CE1-NE1 3.69Å; H955-W1009 AromaticContact CG-CH2 3.78Å; H955-W1009 AromaticContact CG-CZ2 3.85Å; H955-W1009 AromaticContact ND1-CH2 3.99Å; H955-W1009 AromaticContact ND1-CZ2 3.66Å; H955-W1009 AromaticContact NE2-CD1 3.86Å; H955-W1009 AromaticContact NE2-CD2 3.52Å; H955-W1009 AromaticContact NE2-CE2 3.15Å; H955-W1009 AromaticContact NE2-CG 3.98Å; H955-W1009 AromaticContact NE2-CZ2 3.44Å; H955-W1009 WeakPolarHBondContact NE2-CZ2 3.48Å; H955-W1009 AromaticContact NE2-NE1 3.38Å; H955-W1009 PolarHBondContact NE2-NE1 3.29Å; H955-W1009 PolarHBondContact NE2-O 3.28Å; H955-L1010 HydrophobicContact CB-CD1 4.25Å; H955-Y1013 AromaticContact CD2-CD2 3.62Å; H955-Y1013 AromaticContact CE1-CE2 3.92Å; H955-Y1013 AromaticContact CG-CD2 3.96Å; H955-Y1013 AromaticContact NE2-CD2 3.73Å; H955-Y1013 AromaticContact NE2-CE2 3.8Å
956	I	87.3	Confident	85.2	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.2	-43.7	174	-62.9	158.1	0	0	0	110.7	R931 L935 W942 V948 L951 P952 S953 S960 L1017	R931-I956 HydrophobicContact CB-CG2 4.38Å; R931-I956 HydrophobicContact CG-CG2 4.35Å; L935-I956 HydrophobicContact CD1-CG2 4.22Å; L935-I956 HydrophobicContact CD2-CB 4.48Å; L935-I956 HydrophobicContact CD2-CG2 4.1Å; L935-I956 HydrophobicContact CG-CG2 4.21Å; W942-I956 HydrophobicContact CH2-CD1 4.35Å; W942-I956 HydrophobicContact CZ3-CD1 3.78Å; V948-I956 HydrophobicContact CB-CD1 4.35Å; V948-I956 HydrophobicContact CG1-CD1 3.76Å; V948-I956 HydrophobicContact CG2-CD1 4.46Å; L951-I956 HydrophobicContact CB-CD1 3.58Å; L951-I956 HydrophobicContact CB-CG1 3.93Å; L951-I956 HydrophobicContact CD1-CG1 4.44Å; P952-I956 PolarHBondContact O-N 2.9Å; S953-I956 PolarHBondContact O-N 2.77Å; I956-S960 VanDerWaalsContact O-CB 3.29Å; I956-S960 WeakPolarHBondContact O-CB 3.47Å; I956-S960 PolarHBondContact O-N 3.16Å; I956-S960 PolarHBondContact O-OG 3.09Å; I956-L1017 HydrophobicContact CG1-CD2 3.97Å
957	L	90.4	Very high	86.5	Confident	80 Å²	80	40.4 Å²	40.4	42%	0.419	23%	0.228	S	C	.	.	H	α-helix	trans	-61.4	-53.2	178.6	179.6	66.8	0	0	0	111	L935 S953 R954 H955 F959 S960 L961	L935-L957 HydrophobicContact CD1-CB 4.38Å; L935-L957 HydrophobicContact CD1-CD1 3.91Å; L935-L957 HydrophobicContact CD2-CB 4.24Å; S953-L957 PolarHBondContact O-N 2.95Å; R954-L957 PolarHBondContact O-N 3.36Å; H955-L957 VanDerWaalsContact C-N 3.34Å; L957-F959 VanDerWaalsContact C-N 3.34Å; L957-F959 PolarHBondContact O-N 3.05Å; L957-S960 PolarHBondContact O-N 2.88Å; L957-L961 HydrophobicContact CD1-CD1 4.01Å; L957-L961 HydrophobicContact CD1-CG 4.1Å; L957-L961 HydrophobicContact CG-CD1 3.87Å; L957-L961 HydrophobicContact CG-CG 4.33Å; L957-L961 WeakPolarHBondContact O-CB 3.27Å; L957-L961 VanDerWaalsContact O-CG 3.29Å; L957-L961 WeakPolarHBondContact O-CG 3.45Å; L957-L961 PolarHBondContact O-N 3.36Å
958	V	91.8	Very high	87.7	Confident	41 Å²	41	44.6 Å²	44.6	25%	0.248	25%	0.249	C	C	.	.	H	α-helix	trans	-58.2	-46.9	180	171.2	0	0	0	0	111	R954 S960 L961 I962 W1007 W1009	R954-V958 WeakPolarHBondContact O-CG2 3.43Å; R954-V958 PolarHBondContact O-N 3.35Å; V958-S960 PolarHBondContact O-N 3.27Å; V958-L961 PolarHBondContact O-N 3.42Å; V958-I962 HydrophobicContact CG1-CD1 4Å; V958-I962 VanDerWaalsContact O-CG1 3.31Å; V958-I962 WeakPolarHBondContact O-CG1 3.25Å; V958-I962 PolarHBondContact O-N 3.11Å; V958-W1007 HydrophobicContact CG1-CH2 4.24Å; V958-W1007 HydrophobicContact CG1-CZ3 4.34Å; V958-W1009 HydrophobicContact CB-CZ3 4.19Å; V958-W1009 HydrophobicContact CG1-CZ3 4.36Å; V958-W1009 HydrophobicContact CG2-CH2 4.03Å; V958-W1009 HydrophobicContact CG2-CZ3 4Å
959	F	91.5	Very high	88.5	Confident	1 Å²	1	48.9 Å²	48.9	0%	0.004	27%	0.27	C	S	.	.	H	α-helix	trans	-61.9	-43.5	178.9	-173.4	-103.8	0	0	0	112.6	H955 L957 I962 Q963 L1004 L1014 L1017 D1018	H955-F959 WeakPolarHBondContact O-CB 3.3Å; H955-F959 PolarHBondContact O-N 3.43Å; L957-F959 VanDerWaalsContact C-N 3.34Å; L957-F959 PolarHBondContact O-N 3.05Å; F959-I962 PolarHBondContact O-N 2.67Å; F959-Q963 HydrophobicContact CE1-CG 4.41Å; F959-Q963 PolarHBondContact O-N 2.99Å; F959-Q963 VanDerWaalsContact O-N 3.17Å; F959-L1004 HydrophobicContact CE2-CD1 4.26Å; F959-L1014 HydrophobicContact CD2-CD1 4.21Å; F959-L1014 HydrophobicContact CE2-CD1 3.89Å; F959-L1017 HydrophobicContact CB-CD1 4.27Å; F959-L1017 HydrophobicContact CG-CD1 4.38Å; F959-D1018 HydrophobicContact CZ-CB 4.15Å
960	S	91.3	Very high	89.5	Confident	3 Å²	3	45.2 Å²	45.2	2%	0.021	26%	0.256	C	S	.	.	H	α-helix	trans	-69.8	-34.9	179.3	-53.5	0	0	0	0	111.9	F928 I956 L957 V958 Q963 A964	F928-S960 WeakPolarHBondContact CE2-O 3.41Å; I956-S960 VanDerWaalsContact O-CB 3.29Å; I956-S960 WeakPolarHBondContact O-CB 3.47Å; I956-S960 PolarHBondContact O-N 3.16Å; I956-S960 PolarHBondContact O-OG 3.09Å; L957-S960 PolarHBondContact O-N 2.88Å; V958-S960 PolarHBondContact O-N 3.27Å; S960-Q963 PolarHBondContact O-N 3.19Å; S960-A964 WeakPolarHBondContact O-CB 3.3Å; S960-A964 PolarHBondContact O-N 2.86Å
961	L	93	Very high	90.5	Very high	103 Å²	103	43.3 Å²	43.3	54%	0.539	23%	0.233	S	C	.	.	H	α-helix	trans	-66.3	-40.2	174.6	-74.5	175.1	0	0	0	112.1	L957 V958 Q963 A964 A965	L957-L961 HydrophobicContact CD1-CD1 4.01Å; L957-L961 HydrophobicContact CD1-CG 4.1Å; L957-L961 HydrophobicContact CG-CD1 3.87Å; L957-L961 HydrophobicContact CG-CG 4.33Å; L957-L961 WeakPolarHBondContact O-CB 3.27Å; L957-L961 VanDerWaalsContact O-CG 3.29Å; L957-L961 WeakPolarHBondContact O-CG 3.45Å; L957-L961 PolarHBondContact O-N 3.36Å; V958-L961 PolarHBondContact O-N 3.42Å; L961-Q963 VanDerWaalsContact C-N 3.34Å; L961-Q963 PolarHBondContact O-N 2.85Å; L961-A964 PolarHBondContact O-N 3.26Å; L961-A965 WeakPolarHBondContact O-CB 3.32Å; L961-A965 PolarHBondContact O-N 3.25Å
962	I	92.6	Very high	91.2	Very high	47 Å²	47	44.9 Å²	44.9	24%	0.241	25%	0.246	C	C	.	.	H	α-helix	trans	-59.8	-46.6	174.1	-67.7	165.2	0	0	0	110.2	V958 F959 A965 V966 Y996 L1004 W1007	V958-I962 HydrophobicContact CG1-CD1 4Å; V958-I962 VanDerWaalsContact O-CG1 3.31Å; V958-I962 WeakPolarHBondContact O-CG1 3.25Å; V958-I962 PolarHBondContact O-N 3.11Å; F959-I962 PolarHBondContact O-N 2.67Å; I962-A965 PolarHBondContact O-N 3.03Å; I962-V966 WeakPolarHBondContact O-CG2 3.23Å; I962-V966 PolarHBondContact O-N 2.93Å; I962-Y996 HydrophobicContact CG2-CE2 4.16Å; I962-L1004 HydrophobicContact CD1-CD2 4.25Å; I962-W1007 HydrophobicContact CD1-CZ3 4.37Å
963	Q	93.2	Very high	91.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.4	-45.2	176.1	-72.7	-174	-52.9	0	0	112.2	S645 V649 F928 F959 S960 L961 A965 V966 V967 Y996	S645-Q963 PolarHBondContact O-NE2 3.47Å; V649-Q963 HydrophobicContact CG2-CB 4.11Å; V649-Q963 HydrophobicContact CG2-CG 4.06Å; F928-Q963 HydrophobicContact CD2-CB 3.52Å; F928-Q963 HydrophobicContact CD2-CG 4.33Å; F928-Q963 VanDerWaalsContact CD2-OE1 3.28Å; F928-Q963 HydrophobicContact CE2-CB 3.46Å; F928-Q963 VanDerWaalsContact CE2-CB 3.46Å; F928-Q963 HydrophobicContact CG-CB 4.43Å; F928-Q963 HydrophobicContact CZ-CB 4.35Å; F959-Q963 HydrophobicContact CE1-CG 4.41Å; F959-Q963 PolarHBondContact O-N 2.99Å; F959-Q963 VanDerWaalsContact O-N 3.17Å; S960-Q963 PolarHBondContact O-N 3.19Å; L961-Q963 VanDerWaalsContact C-N 3.34Å; L961-Q963 PolarHBondContact O-N 2.85Å; Q963-A965 VanDerWaalsContact C-N 3.34Å; Q963-A965 PolarHBondContact O-N 3.38Å; Q963-V966 PolarHBondContact O-N 3.43Å; Q963-V967 WeakPolarHBondContact O-CG2 3.48Å; Q963-V967 PolarHBondContact O-N 2.98Å; Q963-Y996 WeakPolarHBondContact CG-OH 3.45Å
964	A	93.6	Very high	91.5	Very high	32 Å²	32	43.1 Å²	43.1	26%	0.264	23%	0.23	S	C	.	.	H	α-helix	trans	-62.5	-39.7	179.1	0	0	0	0	0	112.3	F928 S960 L961 V966 V967 L968	F928-A964 HydrophobicContact CE2-CB 4.05Å; F928-A964 HydrophobicContact CZ-CB 3.87Å; S960-A964 WeakPolarHBondContact O-CB 3.3Å; S960-A964 PolarHBondContact O-N 2.86Å; L961-A964 PolarHBondContact O-N 3.26Å; A964-V966 PolarHBondContact O-N 3.25Å; A964-V967 PolarHBondContact O-N 3.03Å; A964-L968 WeakPolarHBondContact O-CB 3.35Å; A964-L968 PolarHBondContact O-N 3.32Å
965	A	94.9	Very high	91.5	Very high	48 Å²	48	36.8 Å²	36.8	40%	0.397	21%	0.211	S	C	.	.	H	α-helix	trans	-61.3	-43.5	176	0	0	0	0	0	111.8	L961 I962 Q963 L968 I969	L961-A965 WeakPolarHBondContact O-CB 3.32Å; L961-A965 PolarHBondContact O-N 3.25Å; I962-A965 PolarHBondContact O-N 3.03Å; Q963-A965 VanDerWaalsContact C-N 3.34Å; Q963-A965 PolarHBondContact O-N 3.38Å; A965-L968 PolarHBondContact O-N 3.1Å; A965-I969 VanDerWaalsContact O-CG1 3.3Å; A965-I969 WeakPolarHBondContact O-CG1 3.35Å; A965-I969 PolarHBondContact O-N 3.08Å
966	V	94.2	Very high	91.4	Very high	20 Å²	20	39.5 Å²	39.5	12%	0.121	23%	0.225	C	C	.	.	H	α-helix	trans	-66.2	-43.4	177.3	177.6	0	0	0	0	111.3	V649 I962 Q963 A964 L968 I969 L970 V992 Y996	V649-V966 HydrophobicContact CG1-CB 4.4Å; V649-V966 HydrophobicContact CG1-CG1 3.76Å; I962-V966 WeakPolarHBondContact O-CG2 3.23Å; I962-V966 PolarHBondContact O-N 2.93Å; Q963-V966 PolarHBondContact O-N 3.43Å; A964-V966 PolarHBondContact O-N 3.25Å; V966-L968 VanDerWaalsContact C-N 3.31Å; V966-L968 PolarHBondContact O-N 3.22Å; V966-I969 PolarHBondContact O-N 2.87Å; V966-L970 HydrophobicContact CG1-CD1 4.17Å; V966-L970 WeakPolarHBondContact O-CG 3.5Å; V966-L970 PolarHBondContact O-N 3.09Å; V966-V992 HydrophobicContact CG1-CG1 4.41Å; V966-Y996 HydrophobicContact CB-CD2 4.45Å; V966-Y996 HydrophobicContact CG1-CD2 4.42Å; V966-Y996 HydrophobicContact CG1-CG 4.13Å; V966-Y996 HydrophobicContact CG2-CD2 3.66Å; V966-Y996 HydrophobicContact CG2-CE2 4.15Å; V966-Y996 HydrophobicContact CG2-CG 4.2Å
967	V	93.5	Very high	91.2	Very high	6 Å²	6	39.9 Å²	39.9	4%	0.036	23%	0.227	C	C	.	.	H	α-helix	trans	-60.4	-42.3	174.9	174.6	0	0	0	0	110.8	V649 F656 F928 Q963 A964 I969 L970 V971	V649-V967 HydrophobicContact CB-CG2 4.37Å; V649-V967 HydrophobicContact CG1-CG2 3.96Å; V649-V967 HydrophobicContact CG2-CG2 4.34Å; F656-V967 HydrophobicContact CD2-CG1 3.75Å; F656-V967 HydrophobicContact CE2-CG1 3.82Å; F928-V967 HydrophobicContact CE1-CG2 4.25Å; Q963-V967 WeakPolarHBondContact O-CG2 3.48Å; Q963-V967 PolarHBondContact O-N 2.98Å; A964-V967 PolarHBondContact O-N 3.03Å; V967-I969 PolarHBondContact O-N 3.47Å; V967-L970 PolarHBondContact O-N 2.96Å; V967-V971 HydrophobicContact CG1-CG2 4.19Å; V967-V971 WeakPolarHBondContact O-CB 3.28Å; V967-V971 VanDerWaalsContact O-CG2 3.29Å; V967-V971 WeakPolarHBondContact O-CG2 3.35Å; V967-V971 PolarHBondContact O-N 3.43Å
968	L	94.4	Very high	90.6	Very high	116 Å²	116	38.6 Å²	38.6	61%	0.607	22%	0.221	S	C	*	.	H	α-helix	trans	-61.7	-41.9	177.5	-178	65.9	0	0	0	112.1	A964 A965 V966 V971 S972	A964-L968 WeakPolarHBondContact O-CB 3.35Å; A964-L968 PolarHBondContact O-N 3.32Å; A965-L968 PolarHBondContact O-N 3.1Å; V966-L968 VanDerWaalsContact C-N 3.31Å; V966-L968 PolarHBondContact O-N 3.22Å; L968-V971 PolarHBondContact O-N 2.91Å; L968-S972 WeakPolarHBondContact O-CB 3.41Å; L968-S972 PolarHBondContact O-N 3.39Å; L968-S972 PolarHBondContact O-OG 3Å
969	I	94	Very high	90.1	Very high	91 Å²	91	42.5 Å²	42.5	47%	0.467	24%	0.235	S	C	.	.	H	α-helix	trans	-60.4	-50	174.4	-67.9	163.8	0	0	0	110.1	A965 V966 V967 V971 S972 L973 V992	A965-I969 VanDerWaalsContact O-CG1 3.3Å; A965-I969 WeakPolarHBondContact O-CG1 3.35Å; A965-I969 PolarHBondContact O-N 3.08Å; V966-I969 PolarHBondContact O-N 2.87Å; V967-I969 PolarHBondContact O-N 3.47Å; I969-V971 VanDerWaalsContact C-N 3.35Å; I969-V971 PolarHBondContact O-N 3.42Å; I969-S972 PolarHBondContact O-N 2.92Å; I969-L973 HydrophobicContact CG2-CD1 4.21Å; I969-L973 WeakPolarHBondContact O-CG 3.12Å; I969-L973 PolarHBondContact O-N 3.12Å; I969-V992 HydrophobicContact CG2-CG1 4.25Å
970	L	92.2	Very high	89.5	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-60.4	-42.6	179.4	-66.2	167.7	0	0	0	112.3	V649 F653 V966 V967 L973 N974 F989 V992 I993	V649-L970 HydrophobicContact CG1-CD1 3.9Å; F653-L970 HydrophobicContact CB-CB 4.45Å; F653-L970 HydrophobicContact CB-CD1 4.07Å; F653-L970 HydrophobicContact CD2-CB 3.51Å; F653-L970 HydrophobicContact CE2-CB 3.94Å; F653-L970 WeakPolarHBondContact CE2-O 3.36Å; F653-L970 HydrophobicContact CG-CB 4.1Å; F653-L970 HydrophobicContact CG-CD1 4.29Å; V966-L970 HydrophobicContact CG1-CD1 4.17Å; V966-L970 WeakPolarHBondContact O-CG 3.5Å; V966-L970 PolarHBondContact O-N 3.09Å; V967-L970 PolarHBondContact O-N 2.96Å; L970-L973 PolarHBondContact O-N 2.96Å; L970-N974 PolarHBondContact O-N 3.25Å; L970-N974 VanDerWaalsContact O-N 3.11Å; L970-F989 HydrophobicContact CD2-CB 3.69Å; L970-F989 WeakPolarHBondContact CD2-O 3.37Å; L970-V992 HydrophobicContact CD2-CB 3.81Å; L970-V992 HydrophobicContact CD2-CG1 3.76Å; L970-V992 HydrophobicContact CG-CG1 4.18Å; L970-I993 HydrophobicContact CD1-CG1 3.98Å; L970-I993 HydrophobicContact CD2-CD1 4.46Å; L970-I993 HydrophobicContact CD2-CG1 4.07Å
971	V	91.3	Very high	88.6	Confident	19 Å²	19	51.6 Å²	51.6	12%	0.115	29%	0.29	C	S	.	.	H	α-helix	trans	-65.4	-41.3	177	169.3	0	0	0	0	111	F656 L660 V967 L968 I969 L973 N974 I975	F656-V971 HydrophobicContact CB-CG2 3.7Å; F656-V971 HydrophobicContact CD2-CG2 4.06Å; F656-V971 HydrophobicContact CG-CG2 3.99Å; L660-V971 HydrophobicContact CD1-CG1 3.61Å; V967-V971 HydrophobicContact CG1-CG2 4.19Å; V967-V971 WeakPolarHBondContact O-CB 3.28Å; V967-V971 VanDerWaalsContact O-CG2 3.29Å; V967-V971 WeakPolarHBondContact O-CG2 3.35Å; V967-V971 PolarHBondContact O-N 3.43Å; L968-V971 PolarHBondContact O-N 2.91Å; I969-V971 VanDerWaalsContact C-N 3.35Å; I969-V971 PolarHBondContact O-N 3.42Å; V971-L973 PolarHBondContact O-N 3.22Å; V971-N974 WeakPolarHBondContact O-CB 3.33Å; V971-N974 PolarHBondContact O-N 3.44Å; V971-I975 HydrophobicContact CG1-CD1 3.95Å; V971-I975 HydrophobicContact CG1-CG1 4.49Å; V971-I975 WeakPolarHBondContact O-CG1 3.21Å; V971-I975 PolarHBondContact O-N 2.89Å
972	S	91.1	Very high	87.6	Confident	50 Å²	50	47.8 Å²	47.8	35%	0.35	27%	0.273	S	S	.	.	H	α-helix	trans	-62.7	-43	177.3	-57	0	0	0	0	111.5	L968 I969 N974 I975 I976	L968-S972 WeakPolarHBondContact O-CB 3.41Å; L968-S972 PolarHBondContact O-N 3.39Å; L968-S972 PolarHBondContact O-OG 3Å; I969-S972 PolarHBondContact O-N 2.92Å; S972-N974 VanDerWaalsContact C-N 3.31Å; S972-N974 PolarHBondContact O-N 3.19Å; S972-I975 PolarHBondContact O-N 3.08Å; S972-I976 VanDerWaalsContact O-CG1 3.26Å; S972-I976 WeakPolarHBondContact O-CG1 3.45Å; S972-I976 PolarHBondContact O-N 2.91Å
973	L	89.1	Confident	86.6	Confident	30 Å²	30	47.8 Å²	47.8	16%	0.157	27%	0.274	C	S	.	.	H	α-helix	trans	-60.4	-39.6	174.9	-69.5	172.9	0	0	0	112.2	I969 L970 V971 I976 S977 V985 V992	I969-L973 HydrophobicContact CG2-CD1 4.21Å; I969-L973 WeakPolarHBondContact O-CG 3.12Å; I969-L973 PolarHBondContact O-N 3.12Å; L970-L973 PolarHBondContact O-N 2.96Å; V971-L973 PolarHBondContact O-N 3.22Å; L973-I976 PolarHBondContact O-N 3.15Å; L973-S977 WeakPolarHBondContact O-CB 3.34Å; L973-S977 PolarHBondContact O-N 3.06Å; L973-V985 HydrophobicContact CB-CG1 4.48Å; L973-V985 HydrophobicContact CD2-CG1 3.6Å; L973-V992 HydrophobicContact CD1-CG2 3.96Å
974	N	85.6	Confident	85.9	Confident	9 Å²	9	54.5 Å²	54.5	5%	0.048	30%	0.3	C	S	.	.	H	α-helix	trans	-65.1	-45.4	175.9	-178	8.5	0	0	0	111.9	F653 F657 L970 V971 S972 I976 S977 D978	F653-N974 HydrophobicContact CE2-CB 4.11Å; F657-N974 WeakPolarHBondContact CD2-ND2 3.34Å; L970-N974 PolarHBondContact O-N 3.25Å; L970-N974 VanDerWaalsContact O-N 3.11Å; V971-N974 WeakPolarHBondContact O-CB 3.33Å; V971-N974 PolarHBondContact O-N 3.44Å; S972-N974 VanDerWaalsContact C-N 3.31Å; S972-N974 PolarHBondContact O-N 3.19Å; N974-I976 VanDerWaalsContact C-N 3.34Å; N974-I976 PolarHBondContact O-N 3.03Å; N974-S977 WeakPolarHBondContact O-CB 3.47Å; N974-S977 PolarHBondContact O-N 3.36Å; N974-S977 VanDerWaalsContact O-N 3.15Å; N974-D978 PolarHBondContact O-N 3.07Å; N974-D978 VanDerWaalsContact O-N 3.08Å
975	I	87.7	Confident	85.3	Confident	59 Å²	59	54.1 Å²	54.1	30%	0.303	29%	0.294	S	S	.	.	H	α-helix	trans	-59.7	-46	176.3	-65.8	168.6	0	0	0	110.4	L660 F664 V971 S972 S977 D978 F979	L660-I975 HydrophobicContact CD1-CD1 4.25Å; L660-I975 HydrophobicContact CD1-CG1 4.14Å; F664-I975 HydrophobicContact CE2-CG1 4.15Å; F664-I975 HydrophobicContact CZ-CG1 4.14Å; V971-I975 HydrophobicContact CG1-CD1 3.95Å; V971-I975 HydrophobicContact CG1-CG1 4.49Å; V971-I975 WeakPolarHBondContact O-CG1 3.21Å; V971-I975 PolarHBondContact O-N 2.89Å; S972-I975 PolarHBondContact O-N 3.08Å; I975-S977 VanDerWaalsContact C-N 3.28Å; I975-S977 PolarHBondContact O-N 3.49Å; I975-D978 PolarHBondContact O-N 2.57Å; I975-F979 HydrophobicContact CG2-CD2 3.76Å; I975-F979 HydrophobicContact CG2-CE2 4.12Å; I975-F979 VanDerWaalsContact O-CD2 3.32Å; I975-F979 WeakPolarHBondContact O-CD2 3.45Å; I975-F979 PolarHBondContact O-N 2.66Å; I975-F979 VanDerWaalsContact O-N 3.1Å
976	I	87.8	Confident	84.4	Confident	74 Å²	74	51.9 Å²	51.9	38%	0.379	28%	0.276	S	S	.	.	H	α-helix	trans	-59.5	-43	176.8	-67.5	164.1	0	0	0	110.6	S972 L973 N974 D978 F979 T980 V985	S972-I976 VanDerWaalsContact O-CG1 3.26Å; S972-I976 WeakPolarHBondContact O-CG1 3.45Å; S972-I976 PolarHBondContact O-N 2.91Å; L973-I976 PolarHBondContact O-N 3.15Å; N974-I976 VanDerWaalsContact C-N 3.34Å; N974-I976 PolarHBondContact O-N 3.03Å; I976-D978 VanDerWaalsContact C-N 3.28Å; I976-D978 PolarHBondContact O-N 2.87Å; I976-F979 PolarHBondContact O-N 3.36Å; I976-T980 HydrophobicContact CG2-CG2 4.01Å; I976-T980 WeakPolarHBondContact O-CB 3.37Å; I976-T980 WeakPolarHBondContact O-CG2 3.42Å; I976-T980 PolarHBondContact O-N 3.49Å; I976-T980 PolarHBondContact O-OG1 2.77Å; I976-V985 HydrophobicContact CG2-CB 4.49Å; I976-V985 HydrophobicContact CG2-CG1 4.3Å; I976-V985 HydrophobicContact CG2-CG2 4.44Å
977	S	82	Confident	83.8	Confident	8 Å²	8	52.1 Å²	52.1	6%	0.056	28%	0.277	C	S	.	.	H	α-helix	trans	-63.2	-29.6	179.5	-173.2	0	0	0	0	113.8	L973 N974 I975 N983	L973-S977 WeakPolarHBondContact O-CB 3.34Å; L973-S977 PolarHBondContact O-N 3.06Å; N974-S977 WeakPolarHBondContact O-CB 3.47Å; N974-S977 PolarHBondContact O-N 3.36Å; N974-S977 VanDerWaalsContact O-N 3.15Å; I975-S977 VanDerWaalsContact C-N 3.28Å; I975-S977 PolarHBondContact O-N 3.49Å; S977-N983 PolarHBondContact O-OD1 3.11Å; S977-N983 PolarHBondContact OG-O 3.26Å; S977-N983 VanDerWaalsContact OG-O 3.07Å
978	D	78.8	Confident	83.4	Confident	53 Å²	53	55.5 Å²	55.5	28%	0.283	29%	0.294	S	S	.	.	H	α-helix	trans	-88.9	-30.9	-179.4	-96.7	-1.6	0	0	0	112.4	K661 N974 I975 I976	K661-D978 WeakPolarHBondContact CD-OD2 3.45Å; K661-D978 VanDerWaalsContact NZ-CG 3.31Å; K661-D978 IonicContact NZ-OD1 3.22Å; K661-D978 PolarHBondContact NZ-OD1 3.42Å; K661-D978 IonicContact NZ-OD2 3.53Å; K661-D978 PolarHBondContact NZ-OD2 3.32Å; N974-D978 PolarHBondContact O-N 3.07Å; N974-D978 VanDerWaalsContact O-N 3.08Å; I975-D978 PolarHBondContact O-N 2.57Å; I976-D978 VanDerWaalsContact C-N 3.28Å; I976-D978 PolarHBondContact O-N 2.87Å
979	F	79.7	Confident	82.9	Confident	123 Å²	123	50.2 Å²	50.2	54%	0.539	27%	0.266	S	S	.	.	H	α-helix	trans	-102	-18.4	-173.6	-74.3	-74.9	0	0	0	115.5	F664 I975 I976	F664-F979 HydrophobicContact CD1-CE2 4.13Å; F664-F979 AromaticContact CD1-CZ 3.87Å; F664-F979 HydrophobicContact CD1-CZ 3.87Å; F664-F979 AromaticContact CD2-CE2 3.84Å; F664-F979 HydrophobicContact CD2-CE2 3.84Å; F664-F979 HydrophobicContact CD2-CZ 4.16Å; F664-F979 AromaticContact CE1-CE2 3.93Å; F664-F979 HydrophobicContact CE1-CE2 3.93Å; F664-F979 HydrophobicContact CE1-CZ 4.02Å; F664-F979 AromaticContact CE2-CE2 3.62Å; F664-F979 HydrophobicContact CE2-CE2 3.62Å; F664-F979 HydrophobicContact CE2-CZ 4.3Å; F664-F979 HydrophobicContact CG-CE2 4.1Å; F664-F979 AromaticContact CG-CZ 3.96Å; F664-F979 HydrophobicContact CG-CZ 3.96Å; F664-F979 AromaticContact CZ-CE2 3.67Å; F664-F979 HydrophobicContact CZ-CE2 3.67Å; F664-F979 HydrophobicContact CZ-CZ 4.23Å; I975-F979 HydrophobicContact CG2-CD2 3.76Å; I975-F979 HydrophobicContact CG2-CE2 4.12Å; I975-F979 VanDerWaalsContact O-CD2 3.32Å; I975-F979 WeakPolarHBondContact O-CD2 3.45Å; I975-F979 PolarHBondContact O-N 2.66Å; I975-F979 VanDerWaalsContact O-N 3.1Å; I976-F979 PolarHBondContact O-N 3.36Å
980	T	80.2	Confident	82.1	Confident	59 Å²	59	46 Å²	46	36%	0.362	25%	0.245	S	C	.	.	S	Bend	trans	-104	157.7	-179.3	70.5	0	0	0	0	111.1	I976 A982 N983	I976-T980 HydrophobicContact CG2-CG2 4.01Å; I976-T980 WeakPolarHBondContact O-CB 3.37Å; I976-T980 WeakPolarHBondContact O-CG2 3.42Å; I976-T980 PolarHBondContact O-N 3.49Å; I976-T980 PolarHBondContact O-OG1 2.77Å; T980-A982 PolarHBondContact O-N 3.03Å; T980-A982 PolarHBondContact OG1-N 3.43Å; T980-N983 PolarHBondContact O-OD1 3.32Å
981	V	71.7	Confident	81.8	Confident	137 Å²	137	49.6 Å²	49.6	83%	0.83	26%	0.263	S	S	*	.	S	Bend	trans	-61.3	-15.8	171.7	-174.5	0	0	0	0	111.4	N983	V981-N983 PolarHBondContact O-N 3.01Å
982	A	72.1	Confident	81.7	Confident	22 Å²	22	50 Å²	50	18%	0.182	27%	0.266	C	S	.	.			trans	-81.7	53.6	178.7	0	0	0	0	0	112.9	T980 Y984 V985	T980-A982 PolarHBondContact O-N 3.03Å; T980-A982 PolarHBondContact OG1-N 3.43Å; A982-Y984 HydrophobicContact CB-CD1 4.49Å; A982-Y984 HydrophobicContact CB-CE1 3.84Å; A982-Y984 HydrophobicContact CB-CE2 4.48Å; A982-Y984 PolarHBondContact O-N 3.35Å; A982-V985 HydrophobicContact CB-CG2 3.91Å; A982-V985 WeakPolarHBondContact O-CB 3.47Å; A982-V985 WeakPolarHBondContact O-CG2 3.35Å; A982-V985 PolarHBondContact O-N 2.63Å
983	N	71.2	Confident	81.5	Confident	48 Å²	48	47.8 Å²	47.8	26%	0.257	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-54.6	-25.3	178.3	-68.8	-20.6	0	0	0	113.3	S600 S603 S977 T980 V981 V985 G986	S600-N983 PolarHBondContact OG-O 3.36Å; S603-N983 PolarHBondContact OG-ND2 3.45Å; S977-N983 PolarHBondContact O-OD1 3.11Å; S977-N983 PolarHBondContact OG-O 3.26Å; S977-N983 VanDerWaalsContact OG-O 3.07Å; T980-N983 PolarHBondContact O-OD1 3.32Å; V981-N983 PolarHBondContact O-N 3.01Å; N983-V985 PolarHBondContact O-N 3.45Å; N983-G986 PolarHBondContact O-N 2.87Å
984	Y	77.9	Confident	81.4	Confident	141 Å²	141	49.7 Å²	49.7	55%	0.553	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-69.5	-14.7	179.3	58.6	-95.3	0	0	0	114.1	A982 G986 L987	A982-Y984 HydrophobicContact CB-CD1 4.49Å; A982-Y984 HydrophobicContact CB-CE1 3.84Å; A982-Y984 HydrophobicContact CB-CE2 4.48Å; A982-Y984 PolarHBondContact O-N 3.35Å; Y984-G986 PolarHBondContact O-N 2.86Å; Y984-L987 WeakPolarHBondContact O-CB 3.32Å; Y984-L987 PolarHBondContact O-N 3.36Å
985	V	81.3	Confident	81.5	Confident	23 Å²	23	53.3 Å²	53.3	14%	0.139	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-60.1	-29.2	175.3	174.6	0	0	0	0	111	L973 I976 A982 N983 L987 I988	L973-V985 HydrophobicContact CB-CG1 4.48Å; L973-V985 HydrophobicContact CD2-CG1 3.6Å; I976-V985 HydrophobicContact CG2-CB 4.49Å; I976-V985 HydrophobicContact CG2-CG1 4.3Å; I976-V985 HydrophobicContact CG2-CG2 4.44Å; A982-V985 HydrophobicContact CB-CG2 3.91Å; A982-V985 WeakPolarHBondContact O-CB 3.47Å; A982-V985 WeakPolarHBondContact O-CG2 3.35Å; A982-V985 PolarHBondContact O-N 2.63Å; N983-V985 PolarHBondContact O-N 3.45Å; V985-L987 PolarHBondContact O-N 2.92Å; V985-L987 VanDerWaalsContact O-N 3.09Å; V985-I988 WeakPolarHBondContact O-CB 3.49Å; V985-I988 PolarHBondContact O-N 3.43Å; V985-I988 VanDerWaalsContact O-N 3.08Å
986	G	76	Confident	81.7	Confident	2 Å²	2	50.9 Å²	50.9	2%	0.021	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-60.5	-12.7	172.5	0	0	0	0	0	114.5	I596 N983 Y984 I988 F989	I596-G986 WeakPolarHBondContact CG2-O 3.48Å; N983-G986 PolarHBondContact O-N 2.87Å; Y984-G986 PolarHBondContact O-N 2.86Å; G986-I988 VanDerWaalsContact C-N 3.31Å; G986-F989 WeakPolarHBondContact O-CD1 3.37Å; G986-F989 WeakPolarHBondContact O-CE1 3.43Å
987	L	81.3	Confident	81.7	Confident	24 Å²	24	48.3 Å²	48.3	13%	0.126	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-79.8	-11.5	174.5	-61.9	175.8	0	0	0	113.3	V597 I794 A797 Y984 V985 P990	V597-L987 HydrophobicContact CB-CD2 4.35Å; V597-L987 HydrophobicContact CG2-CD2 3.73Å; I794-L987 HydrophobicContact CG1-CD1 4.23Å; A797-L987 HydrophobicContact CB-CB 4.44Å; Y984-L987 WeakPolarHBondContact O-CB 3.32Å; Y984-L987 PolarHBondContact O-N 3.36Å; V985-L987 PolarHBondContact O-N 2.92Å; V985-L987 VanDerWaalsContact O-N 3.09Å; L987-P990 VanDerWaalsContact O-CD 3.23Å; L987-P990 WeakPolarHBondContact O-CD 3.28Å
988	I	85.4	Confident	81.9	Confident	77 Å²	77	52.1 Å²	52.1	40%	0.395	28%	0.276	S	S	.	.	S	Bend	trans	-87.5	-24.8	-171.9	-60.7	174.3	0	0	0	113	V985 G986 P990 I991 V992	V985-I988 WeakPolarHBondContact O-CB 3.49Å; V985-I988 PolarHBondContact O-N 3.43Å; V985-I988 VanDerWaalsContact O-N 3.08Å; G986-I988 VanDerWaalsContact C-N 3.31Å; I988-P990 VanDerWaalsContact C-N 3.32Å; I988-P990 WeakPolarHBondContact O-CD 3.27Å; I988-P990 VanDerWaalsContact O-N 3.11Å; I988-I991 WeakPolarHBondContact O-CB 3.17Å; I988-I991 PolarHBondContact O-N 3.32Å; I988-V992 HydrophobicContact CG2-CG2 4.2Å; I988-V992 PolarHBondContact O-N 2.99Å
989	F	83.8	Confident	82.4	Confident	6 Å²	6	53.3 Å²	53.3	3%	0.026	28%	0.282	C	S	.	.	H	α-helix	trans	-52.4	-34.2	-176.3	81.8	-100.4	0	0	0	115.7	P593 I596 F653 I801 L970 G986 I991 V992 I993	P593-F989 HydrophobicContact CB-CE1 4.21Å; P593-F989 HydrophobicContact CB-CE2 4.23Å; P593-F989 HydrophobicContact CB-CZ 3.47Å; P593-F989 VanDerWaalsContact CB-CZ 3.47Å; P593-F989 HydrophobicContact CG-CE1 4.17Å; P593-F989 HydrophobicContact CG-CE2 3.68Å; P593-F989 HydrophobicContact CG-CZ 3.34Å; I596-F989 HydrophobicContact CD1-CD1 4.32Å; I596-F989 HydrophobicContact CD1-CE1 4.13Å; F653-F989 AromaticContact CE1-CD2 3.83Å; F653-F989 HydrophobicContact CE1-CD2 3.83Å; F653-F989 HydrophobicContact CE1-CE2 4.28Å; F653-F989 HydrophobicContact CE1-CG 4.06Å; F653-F989 HydrophobicContact CZ-CB 4.38Å; F653-F989 HydrophobicContact CZ-CD1 4.39Å; F653-F989 HydrophobicContact CZ-CD2 4.33Å; F653-F989 HydrophobicContact CZ-CG 4.09Å; I801-F989 HydrophobicContact CD1-CZ 4.39Å; I801-F989 HydrophobicContact CG1-CZ 4.22Å; I801-F989 HydrophobicContact CG2-CZ 4.45Å; L970-F989 HydrophobicContact CD2-CB 3.69Å; L970-F989 WeakPolarHBondContact CD2-O 3.37Å; G986-F989 WeakPolarHBondContact O-CD1 3.37Å; G986-F989 WeakPolarHBondContact O-CE1 3.43Å; F989-I991 VanDerWaalsContact C-N 3.34Å; F989-I991 PolarHBondContact O-N 2.79Å; F989-V992 WeakPolarHBondContact O-CB 3.22Å; F989-V992 PolarHBondContact O-N 2.98Å; F989-I993 HydrophobicContact CD2-CD1 3.89Å; F989-I993 HydrophobicContact CE2-CD1 4.39Å; F989-I993 WeakPolarHBondContact O-CG1 2.99Å; F989-I993 PolarHBondContact O-N 3.33Å; F989-I993 VanDerWaalsContact O-N 3.09Å
990	P	77.8	Confident	82.8	Confident	3 Å²	3	47.6 Å²	47.6	2%	0.019	26%	0.257	C	S	.	.	H	α-helix	trans	-68.2	-35.9	179.5	-13.4	27.7	0	0	0	111.8	I800 I801 L987 I988 V992 I993 L994	I800-P990 HydrophobicContact CG2-CB 4.22Å; I801-P990 HydrophobicContact CB-CG 4.29Å; I801-P990 HydrophobicContact CD1-CG 3.88Å; I801-P990 HydrophobicContact CG1-CB 3.85Å; I801-P990 HydrophobicContact CG1-CG 3.12Å; L987-P990 VanDerWaalsContact O-CD 3.23Å; L987-P990 WeakPolarHBondContact O-CD 3.28Å; I988-P990 VanDerWaalsContact C-N 3.32Å; I988-P990 WeakPolarHBondContact O-CD 3.27Å; I988-P990 VanDerWaalsContact O-N 3.11Å; P990-V992 VanDerWaalsContact C-N 3.3Å; P990-I993 PolarHBondContact O-N 3.44Å; P990-L994 WeakPolarHBondContact O-CB 3.37Å; P990-L994 PolarHBondContact O-N 2.92Å
991	I	84.9	Confident	82.9	Confident	74 Å²	74	46.8 Å²	46.8	38%	0.379	25%	0.249	S	C	.	.	H	α-helix	trans	-64.8	-40.9	176	-60.6	172.2	0	0	0	109	I988 F989 I993 L994 I995	I988-I991 WeakPolarHBondContact O-CB 3.17Å; I988-I991 PolarHBondContact O-N 3.32Å; F989-I991 VanDerWaalsContact C-N 3.34Å; F989-I991 PolarHBondContact O-N 2.79Å; I991-I993 VanDerWaalsContact C-N 3.33Å; I991-I993 PolarHBondContact O-N 3.38Å; I991-L994 PolarHBondContact O-N 2.7Å; I991-I995 HydrophobicContact CG2-CD1 3.79Å; I991-I995 HydrophobicContact CG2-CG1 4.3Å; I991-I995 WeakPolarHBondContact O-CB 3.46Å; I991-I995 VanDerWaalsContact O-CG1 3.25Å; I991-I995 WeakPolarHBondContact O-CG1 3.37Å; I991-I995 PolarHBondContact O-N 2.94Å
992	V	90.2	Very high	83.5	Confident	29 Å²	29	46.7 Å²	46.7	18%	0.176	24%	0.237	C	C	.	.	H	α-helix	trans	-61.2	-42.5	175.8	178.2	0	0	0	0	111.3	V966 I969 L970 L973 I988 F989 P990 I995 Y996	V966-V992 HydrophobicContact CG1-CG1 4.41Å; I969-V992 HydrophobicContact CG2-CG1 4.25Å; L970-V992 HydrophobicContact CD2-CB 3.81Å; L970-V992 HydrophobicContact CD2-CG1 3.76Å; L970-V992 HydrophobicContact CG-CG1 4.18Å; L973-V992 HydrophobicContact CD1-CG2 3.96Å; I988-V992 HydrophobicContact CG2-CG2 4.2Å; I988-V992 PolarHBondContact O-N 2.99Å; F989-V992 WeakPolarHBondContact O-CB 3.22Å; F989-V992 PolarHBondContact O-N 2.98Å; P990-V992 VanDerWaalsContact C-N 3.3Å; V992-I995 PolarHBondContact O-N 3.27Å; V992-Y996 WeakPolarHBondContact O-CB 3.14Å; V992-Y996 PolarHBondContact O-N 3.06Å
993	I	87.7	Confident	84.2	Confident	2 Å²	2	48 Å²	48	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-65.3	-41.8	175.9	-66.6	160.8	0	0	0	111.2	V646 Y650 T804 L970 F989 P990 I991 Y996 G997	V646-I993 HydrophobicContact CG1-CG2 3.83Å; Y650-I993 HydrophobicContact CD2-CD1 3.68Å; Y650-I993 HydrophobicContact CE2-CD1 4.44Å; T804-I993 HydrophobicContact CG2-CG2 4.08Å; L970-I993 HydrophobicContact CD1-CG1 3.98Å; L970-I993 HydrophobicContact CD2-CD1 4.46Å; L970-I993 HydrophobicContact CD2-CG1 4.07Å; F989-I993 HydrophobicContact CD2-CD1 3.89Å; F989-I993 HydrophobicContact CE2-CD1 4.39Å; F989-I993 WeakPolarHBondContact O-CG1 2.99Å; F989-I993 PolarHBondContact O-N 3.33Å; F989-I993 VanDerWaalsContact O-N 3.09Å; P990-I993 PolarHBondContact O-N 3.44Å; I991-I993 VanDerWaalsContact C-N 3.33Å; I991-I993 PolarHBondContact O-N 3.38Å; I993-Y996 WeakPolarHBondContact O-CB 3.5Å; I993-Y996 PolarHBondContact O-N 2.85Å; I993-G997 PolarHBondContact O-N 3.09Å
994	L	85.2	Confident	85	Confident	70 Å²	70	46.1 Å²	46.1	37%	0.366	24%	0.238	S	C	.	.	H	α-helix	trans	-63.4	-46.7	177.7	-174.8	70.1	0	0	0	111.3	P990 I991 Y996 G997 L998	P990-L994 WeakPolarHBondContact O-CB 3.37Å; P990-L994 PolarHBondContact O-N 2.92Å; I991-L994 PolarHBondContact O-N 2.7Å; L994-Y996 VanDerWaalsContact C-N 3.3Å; L994-Y996 PolarHBondContact O-N 3.07Å; L994-G997 WeakPolarHBondContact O-CA 3.23Å; L994-G997 PolarHBondContact O-N 2.98Å; L994-G997 VanDerWaalsContact O-N 3.11Å; L994-L998 WeakPolarHBondContact O-CG 3.44Å; L994-L998 PolarHBondContact O-N 2.92Å
995	I	89.7	Confident	85.2	Confident	86 Å²	86	42.1 Å²	42.1	44%	0.441	23%	0.23	S	C	.	.	H	α-helix	trans	-58.1	-45.1	175.1	-70.8	167.9	0	0	0	110	I991 V992 G997 L998 I999	I991-I995 HydrophobicContact CG2-CD1 3.79Å; I991-I995 HydrophobicContact CG2-CG1 4.3Å; I991-I995 WeakPolarHBondContact O-CB 3.46Å; I991-I995 VanDerWaalsContact O-CG1 3.25Å; I991-I995 WeakPolarHBondContact O-CG1 3.37Å; I991-I995 PolarHBondContact O-N 2.94Å; V992-I995 PolarHBondContact O-N 3.27Å; I995-G997 VanDerWaalsContact C-N 3.33Å; I995-G997 PolarHBondContact O-N 2.82Å; I995-L998 PolarHBondContact O-N 2.85Å; I995-I999 HydrophobicContact CG2-CD1 3.7Å; I995-I999 HydrophobicContact CG2-CG1 4.28Å; I995-I999 VanDerWaalsContact O-CG1 3.29Å; I995-I999 WeakPolarHBondContact O-CG1 3.43Å; I995-I999 PolarHBondContact O-N 3.25Å
996	Y	91.5	Very high	85.5	Confident	7 Å²	7	49.1 Å²	49.1	3%	0.027	26%	0.258	C	S	.	.	H	α-helix	trans	-59.3	-44	175.1	174.8	-112.5	0	0	0	112	V646 V649 I962 Q963 V966 V992 I993 L994 L998 I999 R1000	V646-Y996 HydrophobicContact CG2-CD1 4.1Å; V646-Y996 HydrophobicContact CG2-CE1 4.08Å; V649-Y996 HydrophobicContact CB-CD1 4.47Å; V649-Y996 HydrophobicContact CB-CE1 4.2Å; V649-Y996 HydrophobicContact CG2-CD1 4.32Å; V649-Y996 HydrophobicContact CG2-CE1 3.69Å; I962-Y996 HydrophobicContact CG2-CE2 4.16Å; Q963-Y996 WeakPolarHBondContact CG-OH 3.45Å; V966-Y996 HydrophobicContact CB-CD2 4.45Å; V966-Y996 HydrophobicContact CG1-CD2 4.42Å; V966-Y996 HydrophobicContact CG1-CG 4.13Å; V966-Y996 HydrophobicContact CG2-CD2 3.66Å; V966-Y996 HydrophobicContact CG2-CE2 4.15Å; V966-Y996 HydrophobicContact CG2-CG 4.2Å; V992-Y996 WeakPolarHBondContact O-CB 3.14Å; V992-Y996 PolarHBondContact O-N 3.06Å; I993-Y996 WeakPolarHBondContact O-CB 3.5Å; I993-Y996 PolarHBondContact O-N 2.85Å; L994-Y996 VanDerWaalsContact C-N 3.3Å; L994-Y996 PolarHBondContact O-N 3.07Å; Y996-L998 VanDerWaalsContact C-N 3.33Å; Y996-L998 PolarHBondContact O-N 3.21Å; Y996-I999 PolarHBondContact O-N 3.28Å; Y996-R1000 WeakPolarHBondContact O-CB 3.19Å; Y996-R1000 PolarHBondContact O-N 2.86Å
997	G	86.5	Confident	86	Confident	20 Å²	20	55 Å²	55	21%	0.206	28%	0.28	C	S	.	.	H	α-helix	trans	-58	-42.2	174.3	0	0	0	0	0	113.2	I993 L994 I995 R1000 E1001	I993-G997 PolarHBondContact O-N 3.09Å; L994-G997 WeakPolarHBondContact O-CA 3.23Å; L994-G997 PolarHBondContact O-N 2.98Å; L994-G997 VanDerWaalsContact O-N 3.11Å; I995-G997 VanDerWaalsContact C-N 3.33Å; I995-G997 PolarHBondContact O-N 2.82Å; G997-R1000 PolarHBondContact O-N 2.81Å; G997-E1001 PolarHBondContact O-N 3.18Å
998	L	87	Confident	86.1	Confident	89 Å²	89	61.9 Å²	61.9	47%	0.466	31%	0.311	S	S	.	.	H	α-helix	trans	-67.5	-45.9	176.6	-67.6	173.4	0	0	0	112.3	L994 I995 Y996 R1000 E1001 F1002	L994-L998 WeakPolarHBondContact O-CG 3.44Å; L994-L998 PolarHBondContact O-N 2.92Å; I995-L998 PolarHBondContact O-N 2.85Å; Y996-L998 VanDerWaalsContact C-N 3.33Å; Y996-L998 PolarHBondContact O-N 3.21Å; L998-R1000 PolarHBondContact O-N 3.16Å; L998-E1001 PolarHBondContact O-N 2.89Å; L998-F1002 HydrophobicContact CB-CD2 4.45Å; L998-F1002 HydrophobicContact CD2-CD2 4.19Å; L998-F1002 HydrophobicContact CD2-CE2 3.82Å; L998-F1002 WeakPolarHBondContact O-CB 3.46Å; L998-F1002 WeakPolarHBondContact O-CD2 3.19Å; L998-F1002 PolarHBondContact O-N 3.47Å
999	I	89.2	Confident	86.1	Confident	77 Å²	77	63 Å²	63	40%	0.395	31%	0.311	S	S	.	.	I	π-helix	trans	-56.5	-43.1	174.4	-70.2	169	0	0	0	109.7	I995 Y996 E1001 A1003 L1004	I995-I999 HydrophobicContact CG2-CD1 3.7Å; I995-I999 HydrophobicContact CG2-CG1 4.28Å; I995-I999 VanDerWaalsContact O-CG1 3.29Å; I995-I999 WeakPolarHBondContact O-CG1 3.43Å; I995-I999 PolarHBondContact O-N 3.25Å; Y996-I999 PolarHBondContact O-N 3.28Å; I999-E1001 PolarHBondContact O-N 3.5Å; I999-A1003 HydrophobicContact CG2-CB 4.09Å; I999-A1003 WeakPolarHBondContact O-CA 3.2Å; I999-A1003 VanDerWaalsContact O-CB 3.29Å; I999-A1003 WeakPolarHBondContact O-CB 3.35Å; I999-A1003 PolarHBondContact O-N 3.38Å; I999-L1004 PolarHBondContact O-N 2.92Å
1000	R	87.5	Confident	86.2	Confident	4 Å²	4	62.8 Å²	62.8	2%	0.015	31%	0.31	C	S	.	.	I	π-helix	trans	-68	-31.4	-178.5	-179.9	-95.4	167.3	-116.9	-17.9	113.4	R643 S645 Y996 G997 L998 L1004 D1018	R643-R1000 VanDerWaalsContact CG-NH2 3.29Å; S645-R1000 PolarHBondContact OG-NE 3.21Å; Y996-R1000 WeakPolarHBondContact O-CB 3.19Å; Y996-R1000 PolarHBondContact O-N 2.86Å; G997-R1000 PolarHBondContact O-N 2.81Å; L998-R1000 PolarHBondContact O-N 3.16Å; R1000-L1004 HydrophobicContact CB-CD1 4.19Å; R1000-L1004 HydrophobicContact CG-CD1 4.15Å; R1000-D1018 IonicContact CZ-OD2 3.72Å; R1000-D1018 IonicContact NE-OD2 2.72Å; R1000-D1018 PolarHBondContact NE-OD2 3.11Å; R1000-D1018 IonicContact NH2-OD2 3.5Å; R1000-D1018 PolarHBondContact NH2-OD2 2.76Å
1001	E	83.1	Confident	86.2	Confident	42 Å²	42	64.3 Å²	64.3	20%	0.196	32%	0.322	C	S	.	.	I	π-helix	trans	-87.9	-34.8	177.4	-165.1	65.1	-163.6	0	0	113.3	R643 G997 L998 I999 P1005	R643-E1001 IonicContact CZ-OE1 3.66Å; R643-E1001 IonicContact CZ-OE2 3.5Å; R643-E1001 VanDerWaalsContact CZ-OE2 3.3Å; R643-E1001 IonicContact NE-OE2 3.44Å; R643-E1001 PolarHBondContact NE-OE2 3.45Å; R643-E1001 VanDerWaalsContact NH2-CD 3.32Å; R643-E1001 IonicContact NH2-OE1 2.84Å; R643-E1001 PolarHBondContact NH2-OE1 2.96Å; R643-E1001 IonicContact NH2-OE2 3.05Å; R643-E1001 PolarHBondContact NH2-OE2 2.83Å; G997-E1001 PolarHBondContact O-N 3.18Å; L998-E1001 PolarHBondContact O-N 2.89Å; I999-E1001 PolarHBondContact O-N 3.5Å; E1001-P1005 VanDerWaalsContact O-CG 3.32Å; E1001-P1005 WeakPolarHBondContact O-CG 3.35Å
1002	F	85	Confident	85.8	Confident	134 Å²	134	67.3 Å²	67.3	59%	0.588	34%	0.339	S	S	*	.	I	π-helix	trans	-106.2	-37.4	-172.7	-66.8	-66.1	0	0	0	114.8	L998 K1006	L998-F1002 HydrophobicContact CB-CD2 4.45Å; L998-F1002 HydrophobicContact CD2-CD2 4.19Å; L998-F1002 HydrophobicContact CD2-CE2 3.82Å; L998-F1002 WeakPolarHBondContact O-CB 3.46Å; L998-F1002 WeakPolarHBondContact O-CD2 3.19Å; L998-F1002 PolarHBondContact O-N 3.47Å; F1002-K1006 WeakPolarHBondContact O-CD 3.48Å; F1002-K1006 WeakPolarHBondContact O-CE 3.35Å; F1002-K1006 WeakPolarHBondContact O-CG 2.98Å
1003	A	86.9	Confident	85.3	Confident	50 Å²	50	69.5 Å²	69.5	41%	0.413	34%	0.344	S	S	.	.	I	π-helix	trans	-91.8	-47.4	-174	0	0	0	0	0	112	I999 K1006 W1007	I999-A1003 HydrophobicContact CG2-CB 4.09Å; I999-A1003 WeakPolarHBondContact O-CA 3.2Å; I999-A1003 VanDerWaalsContact O-CB 3.29Å; I999-A1003 WeakPolarHBondContact O-CB 3.35Å; I999-A1003 PolarHBondContact O-N 3.38Å; A1003-K1006 PolarHBondContact O-N 2.52Å; A1003-W1007 PolarHBondContact O-N 3.49Å
1004	L	86.4	Confident	85	Confident	8 Å²	8	69.9 Å²	69.9	4%	0.042	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-61.9	-39.7	-177.9	-63.8	-176.4	0	0	0	113.8	F959 I962 I999 R1000 K1006 W1007 L1010 L1014	F959-L1004 HydrophobicContact CE2-CD1 4.26Å; I962-L1004 HydrophobicContact CD1-CD2 4.25Å; I999-L1004 PolarHBondContact O-N 2.92Å; R1000-L1004 HydrophobicContact CB-CD1 4.19Å; R1000-L1004 HydrophobicContact CG-CD1 4.15Å; L1004-K1006 VanDerWaalsContact C-N 3.26Å; L1004-K1006 PolarHBondContact O-N 2.78Å; L1004-W1007 HydrophobicContact CD2-CE3 4.42Å; L1004-W1007 WeakPolarHBondContact O-CB 3.38Å; L1004-W1007 PolarHBondContact O-N 3.28Å; L1004-L1010 HydrophobicContact CD2-CD2 4.01Å; L1004-L1014 HydrophobicContact CB-CD1 4.49Å; L1004-L1014 HydrophobicContact CB-CD2 3.87Å; L1004-L1014 HydrophobicContact CD1-CD1 4.44Å
1005	P	83.7	Confident	84.5	Confident	58 Å²	58	72.8 Å²	72.8	38%	0.377	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-69.8	-21.8	177.6	-23.6	37.5	0	0	0	114	E1001 W1007 A1011 L1014	E1001-P1005 VanDerWaalsContact O-CG 3.32Å; E1001-P1005 WeakPolarHBondContact O-CG 3.35Å; P1005-W1007 VanDerWaalsContact C-N 3.27Å; P1005-A1011 WeakPolarHBondContact O-CB 3.44Å; P1005-L1014 HydrophobicContact CB-CD2 4.42Å; P1005-L1014 HydrophobicContact CG-CD2 3.9Å
1006	K	86.8	Confident	83.8	Confident	170 Å²	170	74 Å²	74	74%	0.739	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-76.9	-17.3	174.5	-69.1	-179.6	-178.1	-176.6	0	112.4	F1002 A1003 L1004 E1008	F1002-K1006 WeakPolarHBondContact O-CD 3.48Å; F1002-K1006 WeakPolarHBondContact O-CE 3.35Å; F1002-K1006 WeakPolarHBondContact O-CG 2.98Å; A1003-K1006 PolarHBondContact O-N 2.52Å; L1004-K1006 VanDerWaalsContact C-N 3.26Å; L1004-K1006 PolarHBondContact O-N 2.78Å; K1006-E1008 PolarHBondContact O-N 3.42Å; K1006-E1008 VanDerWaalsContact O-N 3.11Å
1007	W	86.8	Confident	83	Confident	126 Å²	126	74.2 Å²	74.2	48%	0.477	36%	0.363	S	S	.	.			trans	-81.5	91.2	178.9	-165.2	2.6	0	0	0	109.6	V958 I962 A1003 L1004 P1005 W1009 L1010 A1011	V958-W1007 HydrophobicContact CG1-CH2 4.24Å; V958-W1007 HydrophobicContact CG1-CZ3 4.34Å; I962-W1007 HydrophobicContact CD1-CZ3 4.37Å; A1003-W1007 PolarHBondContact O-N 3.49Å; L1004-W1007 HydrophobicContact CD2-CE3 4.42Å; L1004-W1007 WeakPolarHBondContact O-CB 3.38Å; L1004-W1007 PolarHBondContact O-N 3.28Å; P1005-W1007 VanDerWaalsContact C-N 3.27Å; W1007-W1009 PolarHBondContact O-N 3.25Å; W1007-L1010 HydrophobicContact CD2-CB 4.45Å; W1007-L1010 HydrophobicContact CE3-CB 4.46Å; W1007-L1010 HydrophobicContact CE3-CD2 4.3Å; W1007-L1010 HydrophobicContact CG-CB 4.48Å; W1007-L1010 PolarHBondContact O-N 2.93Å; W1007-A1011 WeakPolarHBondContact O-CB 3.33Å; W1007-A1011 PolarHBondContact O-N 3.01Å
1008	E	83.7	Confident	82.5	Confident	167 Å²	167	73.4 Å²	73.4	78%	0.78	35%	0.354	S	S	*	.	H	α-helix	trans	-47.2	-42	-171.1	-64.2	-177.7	168.5	0	0	113.9	K1006 L1010 A1011	K1006-E1008 PolarHBondContact O-N 3.42Å; K1006-E1008 VanDerWaalsContact O-N 3.11Å; E1008-L1010 PolarHBondContact O-N 2.62Å; E1008-A1011 PolarHBondContact O-N 2.84Å
1009	W	85.9	Confident	81.5	Confident	102 Å²	102	75.4 Å²	75.4	39%	0.386	36%	0.355	S	S	.	.	H	α-helix	trans	-59.9	-44.3	178.1	-176.4	77.3	0	0	0	113.2	R954 H955 V958 W1007	R954-W1009 HydrophobicContact CB-CH2 4.03Å; R954-W1009 HydrophobicContact CB-CZ2 3.98Å; H955-W1009 HydrophobicContact CB-CH2 4.4Å; H955-W1009 AromaticContact CD2-CD2 3.77Å; H955-W1009 AromaticContact CD2-CE2 3.68Å; H955-W1009 AromaticContact CD2-CE3 3.81Å; H955-W1009 AromaticContact CD2-CH2 3.75Å; H955-W1009 AromaticContact CD2-CZ2 3.69Å; H955-W1009 AromaticContact CD2-CZ3 3.81Å; H955-W1009 PolarHBondContact CD2-O 2.9Å; H955-W1009 VanDerWaalsContact CD2-O 3.29Å; H955-W1009 AromaticContact CE1-CE2 3.52Å; H955-W1009 AromaticContact CE1-CZ2 3.43Å; H955-W1009 VanDerWaalsContact CE1-CZ2 3.43Å; H955-W1009 WeakPolarHBondContact CE1-CZ2 3.47Å; H955-W1009 AromaticContact CE1-NE1 3.69Å; H955-W1009 AromaticContact CG-CH2 3.78Å; H955-W1009 AromaticContact CG-CZ2 3.85Å; H955-W1009 AromaticContact ND1-CH2 3.99Å; H955-W1009 AromaticContact ND1-CZ2 3.66Å; H955-W1009 AromaticContact NE2-CD1 3.86Å; H955-W1009 AromaticContact NE2-CD2 3.52Å; H955-W1009 AromaticContact NE2-CE2 3.15Å; H955-W1009 AromaticContact NE2-CG 3.98Å; H955-W1009 AromaticContact NE2-CZ2 3.44Å; H955-W1009 WeakPolarHBondContact NE2-CZ2 3.48Å; H955-W1009 AromaticContact NE2-NE1 3.38Å; H955-W1009 PolarHBondContact NE2-NE1 3.29Å; H955-W1009 PolarHBondContact NE2-O 3.28Å; V958-W1009 HydrophobicContact CB-CZ3 4.19Å; V958-W1009 HydrophobicContact CG1-CZ3 4.36Å; V958-W1009 HydrophobicContact CG2-CH2 4.03Å; V958-W1009 HydrophobicContact CG2-CZ3 4Å; W1007-W1009 PolarHBondContact O-N 3.25Å
1010	L	83.8	Confident	80.1	Confident	0 Å²	0	77.8 Å²	77.8	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-84.9	-30.3	179.9	-170.9	66	0	0	0	112.3	H955 L1004 W1007 E1008 L1012 Y1013 L1014 L1017	H955-L1010 HydrophobicContact CB-CD1 4.25Å; L1004-L1010 HydrophobicContact CD2-CD2 4.01Å; W1007-L1010 HydrophobicContact CD2-CB 4.45Å; W1007-L1010 HydrophobicContact CE3-CB 4.46Å; W1007-L1010 HydrophobicContact CE3-CD2 4.3Å; W1007-L1010 HydrophobicContact CG-CB 4.48Å; W1007-L1010 PolarHBondContact O-N 2.93Å; E1008-L1010 PolarHBondContact O-N 2.62Å; L1010-L1012 VanDerWaalsContact C-N 3.26Å; L1010-L1012 PolarHBondContact O-N 2.92Å; L1010-Y1013 PolarHBondContact O-N 3.38Å; L1010-Y1013 VanDerWaalsContact O-N 3.13Å; L1010-L1014 HydrophobicContact CD2-CD1 4.4Å; L1010-L1014 HydrophobicContact CG-CD1 4.45Å; L1010-L1014 PolarHBondContact O-N 3.38Å; L1010-L1017 HydrophobicContact CD1-CD1 4.26Å
1011	A	79.8	Confident	78.8	Confident	35 Å²	35	79.7 Å²	79.7	29%	0.289	37%	0.37	S	S	.	.	H	α-helix	trans	-57.2	-37.6	-174.2	0	0	0	0	0	112.8	P1005 W1007 E1008 Y1013 L1014	P1005-A1011 WeakPolarHBondContact O-CB 3.44Å; W1007-A1011 WeakPolarHBondContact O-CB 3.33Å; W1007-A1011 PolarHBondContact O-N 3.01Å; E1008-A1011 PolarHBondContact O-N 2.84Å; A1011-Y1013 PolarHBondContact O-N 3.3Å; A1011-L1014 PolarHBondContact O-N 3.45Å
1012	L	75.2	Confident	77.3	Confident	137 Å²	137	83.8 Å²	83.8	72%	0.717	39%	0.388	S	S	*	.	H	α-helix	trans	-52.7	-39.4	177.3	-74.9	160	0	0	0	113.1	L1010	L1010-L1012 VanDerWaalsContact C-N 3.26Å; L1010-L1012 PolarHBondContact O-N 2.92Å
1013	Y	81	Confident	75.6	Confident	76 Å²	76	78.8 Å²	78.8	30%	0.298	37%	0.367	S	S	.	.	H	α-helix	trans	-107.2	-6.2	-176.2	-61.3	-73.8	0	0	0	113.6	L951 P952 H955 L1010 A1011 H1015 Q1016 L1017	L951-Y1013 HydrophobicContact CD2-CD1 3.66Å; L951-Y1013 HydrophobicContact CD2-CG 4.08Å; P952-Y1013 HydrophobicContact CG-CD1 4.3Å; P952-Y1013 HydrophobicContact CG-CD2 3.85Å; P952-Y1013 HydrophobicContact CG-CE1 4Å; P952-Y1013 HydrophobicContact CG-CE2 3.51Å; P952-Y1013 HydrophobicContact CG-CG 4.22Å; H955-Y1013 AromaticContact CD2-CD2 3.62Å; H955-Y1013 AromaticContact CE1-CE2 3.92Å; H955-Y1013 AromaticContact CG-CD2 3.96Å; H955-Y1013 AromaticContact NE2-CD2 3.73Å; H955-Y1013 AromaticContact NE2-CE2 3.8Å; L1010-Y1013 PolarHBondContact O-N 3.38Å; L1010-Y1013 VanDerWaalsContact O-N 3.13Å; A1011-Y1013 PolarHBondContact O-N 3.3Å; Y1013-H1015 VanDerWaalsContact C-N 3.29Å; Y1013-H1015 PolarHBondContact O-N 2.82Å; Y1013-Q1016 PolarHBondContact O-N 3.49Å; Y1013-Q1016 VanDerWaalsContact O-N 3.08Å; Y1013-L1017 WeakPolarHBondContact O-CG 3.27Å; Y1013-L1017 PolarHBondContact O-N 3.42Å
1014	L	81.2	Confident	73.8	Confident	10 Å²	10	82 Å²	82	5%	0.052	37%	0.373	C	S	.	.	H	α-helix	trans	-61.9	-35.2	-173.6	-169.4	64.6	0	0	0	112.5	F959 L1004 P1005 L1010 A1011 Q1016 L1017 D1018	F959-L1014 HydrophobicContact CD2-CD1 4.21Å; F959-L1014 HydrophobicContact CE2-CD1 3.89Å; L1004-L1014 HydrophobicContact CB-CD1 4.49Å; L1004-L1014 HydrophobicContact CB-CD2 3.87Å; L1004-L1014 HydrophobicContact CD1-CD1 4.44Å; P1005-L1014 HydrophobicContact CB-CD2 4.42Å; P1005-L1014 HydrophobicContact CG-CD2 3.9Å; L1010-L1014 HydrophobicContact CD2-CD1 4.4Å; L1010-L1014 HydrophobicContact CG-CD1 4.45Å; L1010-L1014 PolarHBondContact O-N 3.38Å; A1011-L1014 PolarHBondContact O-N 3.45Å; L1014-Q1016 VanDerWaalsContact C-N 3.33Å; L1014-Q1016 PolarHBondContact O-N 3.2Å; L1014-L1017 PolarHBondContact O-N 3.14Å; L1014-D1018 PolarHBondContact O-N 3Å
1015	H	74.4	Confident	71.9	Confident	130 Å²	130	83.5 Å²	83.5	60%	0.602	38%	0.383	S	S	*	.	H	α-helix	trans	-66.5	-34.1	177	-170.4	78	0	0	0	112.8	Y1013	Y1013-H1015 VanDerWaalsContact C-N 3.29Å; Y1013-H1015 PolarHBondContact O-N 2.82Å
1016	Q	74.2	Confident	69.3	Low	113 Å²	113	84 Å²	84	53%	0.528	39%	0.388	S	S	.	.	H	α-helix	trans	-77.4	-39.8	177	-66.1	-176.6	-3.1	0	0	111.6	L951 Y1013 L1014	L951-Q1016 HydrophobicContact CD2-CB 4.1Å; Y1013-Q1016 PolarHBondContact O-N 3.49Å; Y1013-Q1016 VanDerWaalsContact O-N 3.08Å; L1014-Q1016 VanDerWaalsContact C-N 3.33Å; L1014-Q1016 PolarHBondContact O-N 3.2Å
1017	L	75.7	Confident	66.6	Low	11 Å²	11	82.1 Å²	82.1	6%	0.058	39%	0.39	C	S	.	.	H	α-helix	trans	-67.6	-32.7	178.1	-74.5	166.4	0	0	0	113	R931 L951 I956 F959 L1010 Y1013 L1014	R931-L1017 PolarHBondContact NH1-O 3.23Å; L951-L1017 HydrophobicContact CD1-CD2 3.78Å; L951-L1017 HydrophobicContact CD1-CG 4.27Å; L951-L1017 HydrophobicContact CD2-CG 4.35Å; I956-L1017 HydrophobicContact CG1-CD2 3.97Å; F959-L1017 HydrophobicContact CB-CD1 4.27Å; F959-L1017 HydrophobicContact CG-CD1 4.38Å; L1010-L1017 HydrophobicContact CD1-CD1 4.26Å; Y1013-L1017 WeakPolarHBondContact O-CG 3.27Å; Y1013-L1017 PolarHBondContact O-N 3.42Å; L1014-L1017 PolarHBondContact O-N 3.14Å
1018	D	74.9	Confident	63.8	Low	2 Å²	2	84.1 Å²	84.1	1%	0.011	41%	0.407	C	S	.	.	S	Bend	trans	-144.4	77	-173.1	-168.1	20.9	0	0	0	112	R644 S645 F959 R1000 L1014	R644-D1018 WeakPolarHBondContact CB-OD1 3.32Å; R644-D1018 PolarHBondContact N-OD1 3.14Å; S645-D1018 VanDerWaalsContact CB-OD2 3.25Å; S645-D1018 WeakPolarHBondContact CB-OD2 3.14Å; S645-D1018 PolarHBondContact N-OD1 2.94Å; S645-D1018 PolarHBondContact OG-OD2 3.48Å; F959-D1018 HydrophobicContact CZ-CB 4.15Å; R1000-D1018 IonicContact CZ-OD2 3.72Å; R1000-D1018 IonicContact NE-OD2 2.72Å; R1000-D1018 PolarHBondContact NE-OD2 3.11Å; R1000-D1018 IonicContact NH2-OD2 3.5Å; R1000-D1018 PolarHBondContact NH2-OD2 2.76Å; L1014-D1018 PolarHBondContact O-N 3Å
1019	R	66	Low	60.8	Low	131 Å²	131	87 Å²	87	49%	0.494	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-61.4	141.5	179.6	-63.9	-175.9	-173	-179.5	2.2	111.6
1020	K	61.1	Low	57.9	Low	128 Å²	128	91.2 Å²	91.2	56%	0.557	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-66.1	135.3	167.6	-72.9	-173.9	173.4	-179.5	0	109.5
1021	Y	59.3	Low	54.9	Low	44 Å²	44	96.3 Å²	96.3	17%	0.173	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-74.7	134.2	162.3	-66.8	-71.9	0	0	0	109.2	R644 E647 L811 K815 L1023	R644-Y1021 HydrophobicContact CB-CD2 4.31Å; R644-Y1021 HydrophobicContact CB-CE2 3.53Å; R644-Y1021 HydrophobicContact CG-CE2 4.06Å; R644-Y1021 WeakPolarHBondContact CG-OH 3.26Å; E647-Y1021 WeakPolarHBondContact OE2-CE2 3.48Å; E647-Y1021 PolarHBondContact OE2-OH 3.26Å; E647-Y1021 VanDerWaalsContact OE2-OH 3.09Å; L811-Y1021 HydrophobicContact CD1-CD2 3.55Å; L811-Y1021 HydrophobicContact CD1-CE2 4.37Å; L811-Y1021 HydrophobicContact CD1-CG 3.9Å; L811-Y1021 HydrophobicContact CD2-CD2 3.73Å; L811-Y1021 HydrophobicContact CD2-CE2 3.92Å; L811-Y1021 HydrophobicContact CG-CD2 3.65Å; L811-Y1021 HydrophobicContact CG-CE2 3.98Å; L811-Y1021 HydrophobicContact CG-CG 4.37Å; K815-Y1021 VanDerWaalsContact CE-OH 3.22Å; K815-Y1021 WeakPolarHBondContact CE-OH 2.93Å; K815-Y1021 HydrophobicContact CG-CE1 3.91Å; Y1021-L1023 PolarHBondContact O-N 3.02Å
1022	K	52.6	Low	52.4	Low	128 Å²	128	100.2 Å²	100.2	56%	0.557	49%	0.487	S	S	*	.			trans	-73.3	102.6	171	-67.3	-174.6	177.9	-176.3	0	108.1	H1024 E1082	K1022-H1024 VanDerWaalsContact C-N 3.3Å; K1022-E1082 IonicContact NZ-OE1 2.87Å; K1022-E1082 PolarHBondContact NZ-OE1 3.34Å; K1022-E1082 VanDerWaalsContact NZ-OE1 3.08Å
1023	L	49.3	Very low	50	Low	29 Å²	29	98.7 Å²	98.7	15%	0.152	49%	0.488	C	S	.	.	S	Bend	trans	-73.8	-23.4	174.7	-77.7	107.1	0	0	0	112.9	K640 Y1021	K640-L1023 HydrophobicContact CB-CD1 4.42Å; Y1021-L1023 PolarHBondContact O-N 3.02Å
1024	H	47.8	Very low	47.4	Very low	118 Å²	118	101.4 Å²	101.4	55%	0.546	51%	0.513	S	S	.	.	S	Bend	trans	-116	107.7	171.6	-73.7	-80.5	0	0	0	108.6	K1022 S1026	K1022-H1024 VanDerWaalsContact C-N 3.3Å; H1024-S1026 PolarHBondContact O-N 3.12Å
1025	P	45.8	Very low	44.7	Very low	38 Å²	38	106 Å²	106	25%	0.247	54%	0.541	C	S	.	.			trans	-64.5	133.9	168.9	24.6	-29.3	0	0	0	108.9	V819 V1027	V819-P1025 WeakPolarHBondContact O-CG 3.38Å; P1025-V1027 PolarHBondContact O-N 3Å
1026	S	30	Very low	42.3	Very low	69 Å²	69	110.8 Å²	110.8	48%	0.483	55%	0.554	S	S	.	*			trans	-53.1	126.1	168.4	32	0	0	0	0	107.6	H1024 M1028 E1082	H1024-S1026 PolarHBondContact O-N 3.12Å; S1026-M1028 PolarHBondContact O-N 3.44Å; S1026-E1082 PolarHBondContact OG-OE1 2.66Å
1027	V	31	Very low	39.9	Very low	131 Å²	131	112.1 Å²	112.1	79%	0.794	57%	0.565	S	S	*	*			trans	-62.1	104.5	171.8	177.1	0	0	0	0	105.6	P1025 R1029	P1025-V1027 PolarHBondContact O-N 3Å; V1027-R1029 VanDerWaalsContact C-N 3.26Å; V1027-R1029 PolarHBondContact O-N 3.14Å
1028	M	26.1	Very low	37.5	Very low	167 Å²	167	119 Å²	119	82%	0.823	60%	0.6	S	S	*	*			trans	-57.3	101.3	163.7	-88.4	-164.9	-160.5	0	0	106	S1026 K1030	S1026-M1028 PolarHBondContact O-N 3.44Å; M1028-K1030 PolarHBondContact O-N 2.86Å
1029	R	22.3	Very low	35.3	Very low	228 Å²	228	123.9 Å²	123.9	86%	0.86	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-57.5	117.1	161	-78.1	-176.7	179.1	172.8	0.9	104.1	V1027 P1031	V1027-R1029 VanDerWaalsContact C-N 3.26Å; V1027-R1029 PolarHBondContact O-N 3.14Å; R1029-P1031 VanDerWaalsContact O-N 3.17Å
1030	K	23.5	Very low	33.5	Very low	190 Å²	190	123.8 Å²	123.8	83%	0.826	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-48.7	130.1	160.8	-80.6	-176.9	175.5	-178.4	0	105.3	M1028	M1028-K1030 PolarHBondContact O-N 2.86Å
1031	P	22.8	Very low	31.9	Very low	107 Å²	107	124.9 Å²	124.9	70%	0.695	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-49.9	135.8	167.9	22.7	-31.2	0	0	0	106	R1029 S1033	R1029-P1031 VanDerWaalsContact O-N 3.17Å; P1031-S1033 PolarHBondContact O-N 3.2Å
1032	P	25.5	Very low	30.3	Very low	118 Å²	118	132.9 Å²	132.9	77%	0.766	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-48.5	120.1	178.4	21.3	-31.1	0	0	0	105.6	T1034	P1032-T1034 VanDerWaalsContact C-N 3.27Å; P1032-T1034 PolarHBondContact O-N 2.84Å
1033	S	25.8	Very low	29.1	Very low	104 Å²	104	133.8 Å²	133.8	73%	0.727	69%	0.693	S	S	*	*			trans	-53.9	105.8	174.6	47.3	0	0	0	0	104.7	P1031 V1035	P1031-S1033 PolarHBondContact O-N 3.2Å; S1033-V1035 VanDerWaalsContact C-N 3.28Å; S1033-V1035 PolarHBondContact O-N 2.88Å
1034	T	25.3	Very low	28.2	Very low	134 Å²	134	139.9 Å²	139.9	82%	0.822	72%	0.721	S	S	*	*			trans	-54.6	110	167.3	-39.6	0	0	0	0	103.1	P1032 R1036	P1032-T1034 VanDerWaalsContact C-N 3.27Å; P1032-T1034 PolarHBondContact O-N 2.84Å; T1034-R1036 PolarHBondContact O-N 3.11Å
1035	V	25.2	Very low	27.3	Very low	107 Å²	107	139 Å²	139	65%	0.648	73%	0.728	S	S	*	*			trans	-46.1	112.7	176.2	173.6	0	0	0	0	104.6	S1033 N1037	S1033-V1035 VanDerWaalsContact C-N 3.28Å; S1033-V1035 PolarHBondContact O-N 2.88Å; V1035-N1037 PolarHBondContact O-N 3.32Å
1036	R	24	Very low	26.4	Very low	230 Å²	230	144.3 Å²	144.3	87%	0.868	76%	0.76	S	S	*	*			trans	-59.9	97.6	162	-81.3	-175.2	-166.9	164.3	3	103.6	T1034 L1038	T1034-R1036 PolarHBondContact O-N 3.11Å; R1036-L1038 PolarHBondContact O-N 3.04Å
1037	N	24.9	Very low	26.3	Very low	141 Å²	141	144.2 Å²	144.2	75%	0.754	77%	0.77	S	S	*	*			trans	-59.6	100.3	162.5	-79.6	-20.4	0	0	0	105.2	V1035 S1039	V1035-N1037 PolarHBondContact O-N 3.32Å; N1037-S1039 PolarHBondContact O-N 2.69Å
1038	L	24.2	Very low	26.1	Very low	154 Å²	154	142.9 Å²	142.9	81%	0.806	77%	0.766	S	S	*	*			trans	-51.8	113.4	160.3	-112.8	78.9	0	0	0	106.9	R1036	R1036-L1038 PolarHBondContact O-N 3.04Å
1039	S	28.3	Very low	26.1	Very low	105 Å²	105	144.6 Å²	144.6	73%	0.734	77%	0.769	S	S	*	*			trans	-129.2	57.5	153.7	56	0	0	0	0	109	N1037 I1041	N1037-S1039 PolarHBondContact O-N 2.69Å; S1039-I1041 PolarHBondContact O-N 3.16Å; S1039-I1041 VanDerWaalsContact O-N 3.11Å
1040	T	29.5	Very low	26.5	Very low	129 Å²	129	137.7 Å²	137.7	79%	0.791	76%	0.76	S	S	*	*			trans	-74.9	92	151.7	-36.9	0	0	0	0	106.8	R1042	T1040-R1042 PolarHBondContact O-N 3.23Å
1041	I	27	Very low	26.6	Very low	152 Å²	152	134.5 Å²	134.5	78%	0.779	76%	0.762	S	S	*	*			trans	-49.2	121.8	157.3	-66	165.8	0	0	0	107.1	S1039	S1039-I1041 PolarHBondContact O-N 3.16Å; S1039-I1041 VanDerWaalsContact O-N 3.11Å
1042	R	25.5	Very low	26.9	Very low	211 Å²	211	133.2 Å²	133.2	80%	0.796	77%	0.769	S	S	*	*				170.8	121.4	119.4	-166.3	166.7	-142.4	-175.6	4.9	113.3	T1040	T1040-R1042 PolarHBondContact O-N 3.23Å
1043	K	27.7	Very low	26.9	Very low	148 Å²	148	131 Å²	131	64%	0.643	77%	0.767	S	S	*	*			trans	88	118.1	144.4	-83.9	174.7	168.2	-127.1	0	122
1044	E	29.7	Very low	26.9	Very low	157 Å²	157	134.2 Å²	134.2	73%	0.734	78%	0.775	S	S	*	*			trans	73.2	130.7	139.1	-61.5	164.6	-148.6	0	0	115.1
1045	S	28.6	Very low	26.8	Very low	100 Å²	100	134 Å²	134	70%	0.699	77%	0.774	S	S	*	*			cis	-173.2	138.3	6.9	53	0	0	0	0	108.2
1046	V	27.9	Very low	26.9	Very low	149 Å²	149	135.1 Å²	135.1	90%	0.903	78%	0.781	S	S	*	*			trans	66.9	125.4	139.1	-174.8	0	0	0	0	120.3
1047	G	28.4	Very low	26.9	Very low	67 Å²	67	130.7 Å²	130.7	69%	0.691	78%	0.779	S	S	*	*			trans	110	82	144.1	0	0	0	0	0	115.3
1048	S	27	Very low	27	Very low	102 Å²	102	129.1 Å²	129.1	71%	0.713	78%	0.779	S	S	*	*				86.6	107.6	75	-176.3	0	0	0	0	114.6
1049	F	25.6	Very low	27	Very low	204 Å²	204	130.8 Å²	130.8	90%	0.895	78%	0.783	S	S	*	*			trans	89.4	133	136.5	-88	-110.9	0	0	0	123
1050	A	29.3	Very low	26.9	Very low	82 Å²	82	133.2 Å²	133.2	68%	0.678	79%	0.787	S	S	*	*			trans	108.8	88.6	136.2	0	0	0	0	0	119.5
1051	S	25.4	Very low	26.6	Very low	123 Å²	123	135.5 Å²	135.5	86%	0.86	79%	0.786	S	S	*	*				38.7	135.2	113.9	62.8	0	0	0	0	123.1
1052	G	29.7	Very low	26.4	Very low	81 Å²	81	133.9 Å²	133.9	84%	0.835	78%	0.783	S	S	*	*			trans	123.8	113.2	154.8	0	0	0	0	0	111.1
1053	G	25	Very low	26.4	Very low	71 Å²	71	130.6 Å²	130.6	73%	0.732	78%	0.782	S	S	*	*			cis	99.5	91.1	29.5	0	0	0	0	0	109.3
1054	L	26.5	Very low	26.4	Very low	171 Å²	171	131.8 Å²	131.8	90%	0.895	80%	0.795	S	S	*	*			trans	-171	126.5	143.2	-132.2	81.2	0	0	0	113.1
1055	T	23.4	Very low	26.1	Very low	130 Å²	130	133.8 Å²	133.8	80%	0.798	80%	0.802	S	S	*	*			trans	-75.4	138.2	165.3	30.2	0	0	0	0	111.9
1056	V	27.9	Very low	26	Very low	130 Å²	130	136.6 Å²	136.6	79%	0.788	81%	0.807	S	S	*	*			trans	-135.3	112	154.9	177.9	0	0	0	0	109.2
1057	T	24.1	Very low	25.9	Very low	137 Å²	137	135.2 Å²	135.2	84%	0.84	79%	0.791	S	S	*	*			trans	-77.8	128.3	162.9	42.2	0	0	0	0	109.8
1058	S	26.9	Very low	25.8	Very low	108 Å²	108	142.9 Å²	142.9	76%	0.755	80%	0.801	S	S	*	*			trans	-154	124.8	152.1	62.7	0	0	0	0	110.8
1059	Q	23.5	Very low	25.8	Very low	189 Å²	189	143.5 Å²	143.5	88%	0.883	80%	0.795	S	S	*	*			trans	-49.3	141.9	175.8	-59.9	-176.9	-20.4	0	0	113.4
1060	L	25.5	Very low	25.9	Very low	156 Å²	156	139.7 Å²	139.7	82%	0.817	78%	0.779	S	S	*	*			trans	-158.2	100.2	148.1	-105.6	154.5	0	0	0	110.6
1061	K	23.8	Very low	25.9	Very low	178 Å²	178	142.7 Å²	142.7	77%	0.774	78%	0.784	S	S	*	*			trans	50.2	103.9	134.6	-69.7	-178.4	-179.7	173.7	0	119
1062	T	23.5	Very low	26	Very low	117 Å²	117	144 Å²	144	72%	0.718	78%	0.777	S	S	*	*				36.7	132.1	116.6	54.1	0	0	0	0	119.6
1063	N	24.3	Very low	25.8	Very low	143 Å²	143	147 Å²	147	77%	0.765	77%	0.769	S	S	*	*			trans	100.5	87.2	161.1	-56.1	-16.6	0	0	0	114.9
1064	N	28.9	Very low	26	Very low	173 Å²	173	149 Å²	149	93%	0.925	77%	0.767	S	S	*	*			trans	-173.9	35.8	139.7	-85.7	-23.5	0	0	0	112.2
1065	F	23.6	Very low	26.1	Very low	198 Å²	198	142.8 Å²	142.8	87%	0.868	74%	0.74	S	S	*	*			trans	-86.7	125.7	160.9	-101.2	-102.5	0	0	0	107.1
1066	I	25.2	Very low	26.1	Very low	159 Å²	159	140.6 Å²	140.6	82%	0.815	73%	0.731	S	S	*	*			trans	171.5	-16.9	141.6	-87.5	158.5	0	0	0	114.3
1067	E	25.7	Very low	26.2	Very low	120 Å²	120	143.7 Å²	143.7	56%	0.561	73%	0.729	S	S	*	*	S	Bend	trans	-103.5	29.7	-162.8	-137.8	179.6	-171.9	0	0	118.8	R495 R506	R495-E1067 IonicContact CZ-OE1 3.71Å; R495-E1067 VanDerWaalsContact CZ-OE1 3.22Å; R495-E1067 IonicContact NH1-OE1 2.85Å; R495-E1067 PolarHBondContact NH1-OE1 3.41Å; R495-E1067 IonicContact NH2-OE1 3.39Å; R495-E1067 PolarHBondContact NH2-OE1 3.46Å; R506-E1067 IonicContact NH2-OE1 3.4Å
1068	Y	26.7	Very low	26.4	Very low	229 Å²	229	139.7 Å²	139.7	90%	0.898	71%	0.707	S	S	*	*	S	Bend	trans	-136.1	12.6	-174.3	-109.6	-87	0	0	0	118
1069	I	28	Very low	26.5	Very low	114 Å²	114	140.7 Å²	140.7	59%	0.585	70%	0.704	S	S	*	*			trans	-112.1	-2.7	-169.7	-64.6	179.4	0	0	0	114.3	T484 D1071	T484-I1069 HydrophobicContact CG2-CG2 4.48Å; I1069-D1071 PolarHBondContact O-N 3.11Å
1070	H	27.3	Very low	26.7	Very low	125 Å²	125	136 Å²	136	58%	0.579	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	4.9	-168.1	-137.6	-56.8	0	0	0	117.4
1071	D	29.6	Very low	26.9	Very low	144 Å²	144	131.6 Å²	131.6	77%	0.77	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.2	5.4	-178	-82.7	-20.6	0	0	0	114.6	I1069	I1069-D1071 PolarHBondContact O-N 3.11Å
1072	Q	27.9	Very low	27.3	Very low	152 Å²	152	127.7 Å²	127.7	71%	0.71	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-84.1	-15.1	-172.9	-80.6	-170.7	-27.1	0	0	116	T1074 A1075	Q1072-T1074 PolarHBondContact O-N 2.92Å; Q1072-A1075 WeakPolarHBondContact O-CB 3.39Å; Q1072-A1075 PolarHBondContact O-N 2.92Å
1073	E	25.1	Very low	27.6	Very low	142 Å²	142	129.9 Å²	129.9	66%	0.664	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-90.3	3.7	-175.6	-78.6	176.5	171.1	0	0	115.4
1074	T	29.2	Very low	27.9	Very low	113 Å²	113	126.5 Å²	126.5	69%	0.693	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-114.8	5.5	165.2	53.9	0	0	0	0	112.7	Q1072 S1078	Q1072-T1074 PolarHBondContact O-N 2.92Å; T1074-S1078 PolarHBondContact O-OG 3.14Å; T1074-S1078 VanDerWaalsContact O-OG 3.07Å
1075	A	27.2	Very low	27.9	Very low	41 Å²	41	123 Å²	123	34%	0.339	61%	0.614	S	S	.	*	S	Bend	trans	-84	-18.5	-171.7	0	0	0	0	0	114	Q1072 S1078	Q1072-A1075 WeakPolarHBondContact O-CB 3.39Å; Q1072-A1075 PolarHBondContact O-N 2.92Å; A1075-S1078 WeakPolarHBondContact CA-OG 3.43Å; A1075-S1078 PolarHBondContact O-OG 3.12Å
1076	S	25.1	Very low	28.1	Very low	85 Å²	85	115 Å²	115	59%	0.594	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-15	-177.7	56.9	0	0	0	0	115.1
1077	Y	28.4	Very low	28.1	Very low	194 Å²	194	110.6 Å²	110.6	76%	0.761	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102	-0.2	176	-93.6	-89.6	0	0	0	114.1
1078	S	29.2	Very low	28.2	Very low	54 Å²	54	107.3 Å²	107.3	38%	0.378	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-108	-11.6	-164.9	44.9	0	0	0	0	115.8	T1074 A1075 I1080 S1081	T1074-S1078 PolarHBondContact O-OG 3.14Å; T1074-S1078 VanDerWaalsContact O-OG 3.07Å; A1075-S1078 WeakPolarHBondContact CA-OG 3.43Å; A1075-S1078 PolarHBondContact O-OG 3.12Å; S1078-I1080 VanDerWaalsContact C-N 3.32Å; S1078-I1080 PolarHBondContact O-N 2.98Å; S1078-S1081 PolarHBondContact O-OG 3.34Å
1079	D	28	Very low	28.2	Very low	129 Å²	129	101.5 Å²	101.5	69%	0.69	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-6.8	-177.8	-77	-17.3	0	0	0	114.8
1080	I	28.8	Very low	28.1	Very low	91 Å²	91	105.3 Å²	105.3	47%	0.467	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-10.5	-177.7	-60.8	171.2	0	0	0	112.4	Q413 S1078	Q413-I1080 HydrophobicContact CG-CG2 4.08Å; S1078-I1080 VanDerWaalsContact C-N 3.32Å; S1078-I1080 PolarHBondContact O-N 2.98Å
1081	S	29.9	Very low	28	Very low	63 Å²	63	102.1 Å²	102.1	44%	0.441	53%	0.528	S	S	.	.	S	Bend	trans	-94	-5.4	-172.3	70.4	0	0	0	0	115.8	S1078 H1083	S1078-S1081 PolarHBondContact O-OG 3.34Å; S1081-H1083 PolarHBondContact O-N 3.12Å
1082	E	31.1	Very low	27.8	Very low	95 Å²	95	103.8 Å²	103.8	44%	0.444	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	2	-165.4	-61.3	-156.5	143.3	0	0	115.7	K1022 S1026	K1022-E1082 IonicContact NZ-OE1 2.87Å; K1022-E1082 PolarHBondContact NZ-OE1 3.34Å; K1022-E1082 VanDerWaalsContact NZ-OE1 3.08Å; S1026-E1082 PolarHBondContact OG-OE1 2.66Å
1083	H	30.1	Very low	27.6	Very low	164 Å²	164	101.2 Å²	101.2	76%	0.759	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-1.3	-175.8	-96.3	-70	0	0	0	117.4	S1081	S1081-H1083 PolarHBondContact O-N 3.12Å
1084	E	31.9	Very low	27.6	Very low	72 Å²	72	104 Å²	104	34%	0.336	56%	0.556	S	S	.	*			trans	-108.4	1.7	-165.5	-73.9	-172.9	121.2	0	0	117.5	G1086 R1089	E1084-G1086 PolarHBondContact O-N 3.06Å; E1084-R1089 VanDerWaalsContact CD-NE 3.31Å; E1084-R1089 IonicContact OE1-NE 2.8Å; E1084-R1089 IonicContact OE2-CZ 3.17Å; E1084-R1089 IonicContact OE2-NE 2.71Å; E1084-R1089 PolarHBondContact OE2-NE 2.95Å; E1084-R1089 IonicContact OE2-NH2 3.4Å; E1084-R1089 PolarHBondContact OE2-NH2 3.33Å
1085	D	28.8	Very low	27.6	Very low	100 Å²	100	103.6 Å²	103.6	54%	0.535	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	44.4	-169.9	-76.8	-16.8	0	0	0	115.9	K817 K875	K817-D1085 VanDerWaalsContact CE-CB 3.46Å; K817-D1085 VanDerWaalsContact NZ-CB 3.29Å; K817-D1085 PolarHBondContact NZ-O 3.28Å; K875-D1085 VanDerWaalsContact CE-C 3.45Å; K875-D1085 WeakPolarHBondContact CE-O 3.45Å
1086	G	27.3	Very low	27.6	Very low	30 Å²	30	106.9 Å²	106.9	31%	0.309	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	169.2	16	160.6	0	0	0	0	0	118.9	E1084	E1084-G1086 PolarHBondContact O-N 3.06Å
1087	V	25.5	Very low	27.7	Very low	65 Å²	65	108.1 Å²	108.1	39%	0.394	56%	0.558	S	S	.	*	S	Bend	trans	-153.9	130.4	171.2	174.2	0	0	0	0	102.9	M872 K875	M872-V1087 HydrophobicContact CE-CB 3.6Å; M872-V1087 HydrophobicContact CE-CG1 3.16Å; M872-V1087 HydrophobicContact CE-CG2 3.51Å; M872-V1087 HydrophobicContact SD-CG1 4.24Å; K875-V1087 HydrophobicContact CD-CG2 4.46Å
1088	V	26.5	Very low	27.7	Very low	51 Å²	51	103.1 Å²	103.1	31%	0.309	55%	0.546	S	S	.	.			trans	80.2	123.1	175.2	-164.3	0	0	0	0	116.6	N405	N405-V1088 HydrophobicContact CB-CB 4.3Å; N405-V1088 HydrophobicContact CB-CG1 3.36Å; N405-V1088 HydrophobicContact CB-CG2 3.91Å
1089	R	28.4	Very low	27.6	Very low	108 Å²	108	106.1 Å²	106.1	41%	0.408	56%	0.557	S	S	.	*			trans	-169.6	48.3	136.5	-97.5	-168.8	-166.6	-175.7	10.7	110.3	R949 E1084	R949-R1089 VanDerWaalsContact CD-O 3.3Å; R949-R1089 WeakPolarHBondContact CD-O 3.19Å; R949-R1089 PolarHBondContact NH1-O 3.14Å; E1084-R1089 VanDerWaalsContact CD-NE 3.31Å; E1084-R1089 IonicContact OE1-NE 2.8Å; E1084-R1089 IonicContact OE2-CZ 3.17Å; E1084-R1089 IonicContact OE2-NE 2.71Å; E1084-R1089 PolarHBondContact OE2-NE 2.95Å; E1084-R1089 IonicContact OE2-NH2 3.4Å; E1084-R1089 PolarHBondContact OE2-NH2 3.33Å
1090	R	25.2	Very low	27.6	Very low	193 Å²	193	104.6 Å²	104.6	73%	0.728	55%	0.548	S	S	*	.			trans	-75.8	141.2	158.2	-90.7	-178.4	-176.4	172.7	0.7	106.7	N403	N403-R1090 WeakPolarHBondContact ND2-CB 3.37Å; N403-R1090 PolarHBondContact ND2-O 2.97Å
1091	T	24.6	Very low	27.5	Very low	59 Å²	59	105.6 Å²	105.6	36%	0.362	55%	0.554	S	S	.	*			trans	76.5	86.5	173.1	67.8	0	0	0	0	118.1	N403 A406	N403-T1091 HydrophobicContact CB-CG2 3.88Å; A406-T1091 WeakPolarHBondContact CB-OG1 3.34Å
1092	W	25.1	Very low	27.3	Very low	178 Å²	178	108.8 Å²	108.8	67%	0.674	56%	0.562	S	S	*	*			trans	-132.6	100.4	136.9	-85.1	80.2	0	0	0	106.8
1093	A	24.2	Very low	27	Very low	99 Å²	99	110 Å²	110	82%	0.818	57%	0.572	S	S	*	*			trans	-135.1	86.6	163.4	0	0	0	0	0	106.4
1094	T	26.3	Very low	26.7	Very low	201 Å²	201	105.1 Å²	105.1	100%	1.233	56%	0.555	S	S	*	*				-107.6	0	128.8	42.1	0	0	0	0	106

Retrieved 1,094 of 1,094 residues in 1428.7 ms (Link to these results)

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