A0A087XRL6_POEFO Loading...

Rho/Rac guanine nucleotide exchange factor 2

AlphaFold DB , UniProt , Accession A0A087XRL6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 896 aa.

						>A0A087XRL6_POEFO|A0A087XRL6
MSRLLESRREKDRMKESSLKIKEKERLKETREREARSSSGHLFTSLSVSATTLCSSCNKSITAKEALSCPGCNVTIHNRCRDSVASCAKMKQRQQKLTLVRNNSALQNVALRTKTPMMKERPSSAIYPSDTLRQSLLGSRRVRSGLTLAKSVSTNNIAGGTEESVGLRRILSQSTESLNFRNRTLSMESLTDDGEWWWSPLLEELQAEGGCVQADSWSMAVDSTFLQTQHKDVIKQQDVIYELIQTEFHHVRTLRIMEGVYRRGMQEEVLLEAGVVHTIFPCLDQLLELHANFLSQLLSRRKDGLQEGSANNFTVRRLGDLLLRQFSGQCAEDMKKLYSEFCSRHPKAVKLYKEVLNRDRRLQQFIRRVCRGPLLRRHGVQECILLVTQRITKYPVLIQRILDNTKGCPDERRDLHEALVLLKELIGSVDQEVLELDRNRRLQEVQARLDPRAQAEVKGGGAFRGGELLRRKLLHEGTLTWKVQGSRMKDVQVLLMSDILVFLQEKDQKFTFASLDKSPVVSLTKLIVREVANQEKGMYLISDSAPPEMYELYASSKDDRKTWMSCIQKAAQSCPSRDEFPLIETEDKALQRRLRADIQQKDKEVLELLQERATLFSDLVQATARQDGEEQHVEAKTSSSNRNLFRADTPHAPKAEPLLLAAIGEVDKLAALLSDTSNQKSSITNGNQDISNGDSGSVNGSFKLNNSSSKDRNGNQLQERTLNEEVRQRLVGLSTQLHALQAAVIRQDSILELSAGAAPPAGPGSAPRLVRSMSRDATLDASSEVVLLRRQVELLQEELSRLRLKTEEGGKKGAGSGKKKKKNKGKGDASKDQQVDRKLETEPPAVAPLAVEDPVDQLDGLEEGPEEEEEEEEVMKISPRSDSPRDLQDIPEESES
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.5	Very low	50	Low	202 Å²	202	134.9 Å²	134.9	100%	0.995	63%	0.626	S	S	*	*				0	-37	0	-76.2	-160.8	-85.5	0	0	114.4	R3 L4	M1-R3 PolarHBondContact O-N 2.61Å; M1-R3 VanDerWaalsContact O-N 3.11Å; M1-L4 WeakPolarHBondContact O-CB 3.47Å; M1-L4 PolarHBondContact O-N 3.28Å
2	S	38.2	Very low	51	Low	82 Å²	82	129.6 Å²	129.6	57%	0.573	61%	0.605	S	S	*	*	H	α-helix	trans	-48.2	-43.1	-169.3	-37.3	0	0	0	0	116.3	L4 L5 E6	S2-L4 PolarHBondContact O-N 3.39Å; S2-L4 VanDerWaalsContact O-N 3.11Å; S2-L5 WeakPolarHBondContact O-CA 3.28Å; S2-L5 WeakPolarHBondContact O-CB 3.43Å; S2-L5 PolarHBondContact O-N 3.43Å; S2-E6 PolarHBondContact O-N 3.41Å
3	R	37.7	Very low	52.4	Low	230 Å²	230	134.6 Å²	134.6	87%	0.868	62%	0.615	S	S	*	*	H	α-helix	trans	-56.3	-29.4	177.8	-66.7	-175.6	-179.4	173.7	0.4	114.2	M1 S7	M1-R3 PolarHBondContact O-N 2.61Å; M1-R3 VanDerWaalsContact O-N 3.11Å; R3-S7 WeakPolarHBondContact O-CB 3.45Å; R3-S7 PolarHBondContact O-N 3.45Å
4	L	45.1	Very low	53.3	Low	138 Å²	138	133.6 Å²	133.6	72%	0.723	61%	0.614	S	S	*	*	H	α-helix	trans	-77.2	-26.7	174	-77.2	165.6	0	0	0	113	M1 S2 R8	M1-L4 WeakPolarHBondContact O-CB 3.47Å; M1-L4 PolarHBondContact O-N 3.28Å; S2-L4 PolarHBondContact O-N 3.39Å; S2-L4 VanDerWaalsContact O-N 3.11Å; L4-R8 WeakPolarHBondContact O-CB 3.38Å; L4-R8 PolarHBondContact O-N 2.86Å
5	L	49.1	Very low	54.3	Low	97 Å²	97	133 Å²	133	51%	0.508	61%	0.609	S	S	.	*	H	α-helix	trans	-77.6	-41.2	174.7	-61.8	173.9	0	0	0	110.8	S2 R8 R9	S2-L5 WeakPolarHBondContact O-CA 3.28Å; S2-L5 WeakPolarHBondContact O-CB 3.43Å; S2-L5 PolarHBondContact O-N 3.43Å; L5-R8 PolarHBondContact O-N 3.4Å; L5-R9 WeakPolarHBondContact O-CG 3.48Å; L5-R9 PolarHBondContact O-N 3.02Å
6	E	49.8	Very low	54.9	Low	96 Å²	96	130.8 Å²	130.8	45%	0.449	60%	0.6	S	S	.	*	H	α-helix	trans	-59.5	-51.9	172.6	-113.4	59	-102.8	0	0	112	S2 R8 R9 E10	S2-E6 PolarHBondContact O-N 3.41Å; E6-R8 PolarHBondContact O-N 3.2Å; E6-R8 VanDerWaalsContact O-N 3.12Å; E6-R9 PolarHBondContact O-N 3.35Å; E6-R9 VanDerWaalsContact O-N 3.13Å; E6-R9 WeakPolarHBondContact OE1-CD 3.25Å; E6-R9 IonicContact OE1-CZ 2.76Å; E6-R9 IonicContact OE1-NE 3.65Å; E6-R9 IonicContact OE1-NH1 3.81Å; E6-R9 PolarHBondContact OE1-NH1 3.11Å; E6-R9 IonicContact OE2-NH1 3.82Å; E6-E10 WeakPolarHBondContact O-CB 3.36Å; E6-E10 PolarHBondContact O-N 3.47Å
7	S	49	Very low	55.2	Low	54 Å²	54	126.9 Å²	126.9	38%	0.378	59%	0.591	S	S	.	*	H	α-helix	trans	-60.3	-26.9	178.6	-171.2	0	0	0	0	113.2	R3 K11	R3-S7 WeakPolarHBondContact O-CB 3.45Å; R3-S7 PolarHBondContact O-N 3.45Å; S7-K11 WeakPolarHBondContact O-CB 3.29Å; S7-K11 WeakPolarHBondContact O-CG 3.1Å; S7-K11 PolarHBondContact O-N 3.31Å
8	R	56.3	Low	55.7	Low	175 Å²	175	123.2 Å²	123.2	66%	0.66	58%	0.582	S	S	*	*	H	α-helix	trans	-75.3	-50.2	174.1	-164.9	173	-172.4	168.2	2.4	111.3	L4 L5 E6 E10 K11 D12	L4-R8 WeakPolarHBondContact O-CB 3.38Å; L4-R8 PolarHBondContact O-N 2.86Å; L5-R8 PolarHBondContact O-N 3.4Å; E6-R8 PolarHBondContact O-N 3.2Å; E6-R8 VanDerWaalsContact O-N 3.12Å; R8-E10 VanDerWaalsContact C-N 3.26Å; R8-E10 PolarHBondContact O-N 3.48Å; R8-K11 PolarHBondContact O-N 3.33Å; R8-D12 PolarHBondContact O-N 3.5Å
9	R	60.8	Low	56.2	Low	158 Å²	158	122.9 Å²	122.9	60%	0.596	58%	0.583	S	S	*	*	H	α-helix	trans	-54.8	-40.5	175.3	-73.7	166.4	168.2	177.2	-5.1	112.4	L5 E6 D12 R13	L5-R9 WeakPolarHBondContact O-CG 3.48Å; L5-R9 PolarHBondContact O-N 3.02Å; E6-R9 PolarHBondContact O-N 3.35Å; E6-R9 VanDerWaalsContact O-N 3.13Å; E6-R9 WeakPolarHBondContact OE1-CD 3.25Å; E6-R9 IonicContact OE1-CZ 2.76Å; E6-R9 IonicContact OE1-NE 3.65Å; E6-R9 IonicContact OE1-NH1 3.81Å; E6-R9 PolarHBondContact OE1-NH1 3.11Å; E6-R9 IonicContact OE2-NH1 3.82Å; R9-D12 PolarHBondContact O-N 3.14Å; R9-R13 WeakPolarHBondContact O-CG 3.31Å; R9-R13 PolarHBondContact O-N 3.08Å
10	E	57	Low	56.6	Low	121 Å²	121	122.8 Å²	122.8	57%	0.565	58%	0.58	S	S	*	*	H	α-helix	trans	-71.4	-42.9	179.8	-173.1	152.2	-131.4	0	0	112.6	E6 R8 D12 R13 M14	E6-E10 WeakPolarHBondContact O-CB 3.36Å; E6-E10 PolarHBondContact O-N 3.47Å; R8-E10 VanDerWaalsContact C-N 3.26Å; R8-E10 PolarHBondContact O-N 3.48Å; E10-D12 VanDerWaalsContact C-N 3.27Å; E10-D12 PolarHBondContact O-N 3.25Å; E10-R13 PolarHBondContact O-N 2.81Å; E10-M14 HydrophobicContact CG-CE 4.17Å; E10-M14 WeakPolarHBondContact O-CG 3.45Å; E10-M14 PolarHBondContact O-N 3.33Å
11	K	61.2	Low	57.2	Low	131 Å²	131	122 Å²	122	57%	0.57	58%	0.579	S	S	*	*	H	α-helix	trans	-61.2	-35.6	172.2	-79.5	171.3	178.3	163	0	112.7	S7 R8 K15	S7-K11 WeakPolarHBondContact O-CB 3.29Å; S7-K11 WeakPolarHBondContact O-CG 3.1Å; S7-K11 PolarHBondContact O-N 3.31Å; R8-K11 PolarHBondContact O-N 3.33Å; K11-K15 WeakPolarHBondContact O-CG 3.49Å; K11-K15 PolarHBondContact O-N 2.86Å; K11-K15 VanDerWaalsContact O-N 3.16Å
12	D	62	Low	58.2	Low	71 Å²	71	118.5 Å²	118.5	38%	0.38	56%	0.558	S	S	.	*	H	α-helix	trans	-75.9	-36.3	178.1	-65.7	-31.9	0	0	0	111.7	R8 R9 E10 M14 K15 E16	R8-D12 PolarHBondContact O-N 3.5Å; R9-D12 PolarHBondContact O-N 3.14Å; E10-D12 VanDerWaalsContact C-N 3.27Å; E10-D12 PolarHBondContact O-N 3.25Å; D12-M14 PolarHBondContact O-N 2.9Å; D12-K15 PolarHBondContact O-N 3.49Å; D12-K15 IonicContact OD1-NZ 3.67Å; D12-K15 PolarHBondContact OD1-NZ 2.78Å; D12-E16 PolarHBondContact O-N 2.82Å
13	R	69.3	Low	59.3	Low	195 Å²	195	120.3 Å²	120.3	74%	0.736	56%	0.557	S	S	*	*	H	α-helix	trans	-58.3	-43.3	167.3	-83.1	-179.9	163.7	-173.3	-4.7	113.1	R9 E10 E16 S17	R9-R13 WeakPolarHBondContact O-CG 3.31Å; R9-R13 PolarHBondContact O-N 3.08Å; E10-R13 PolarHBondContact O-N 2.81Å; R13-E16 PolarHBondContact O-N 3.34Å; R13-S17 PolarHBondContact O-N 3.34Å
14	M	64.8	Low	60.5	Low	121 Å²	121	117.3 Å²	117.3	60%	0.596	55%	0.55	S	S	*	*	H	α-helix	trans	-66.6	-34	177.6	-71.6	-175	-178.8	0	0	112.9	E10 D12 S17 S18	E10-M14 HydrophobicContact CG-CE 4.17Å; E10-M14 WeakPolarHBondContact O-CG 3.45Å; E10-M14 PolarHBondContact O-N 3.33Å; D12-M14 PolarHBondContact O-N 2.9Å; M14-S17 PolarHBondContact O-OG 3.47Å; M14-S17 VanDerWaalsContact O-OG 3.13Å; M14-S18 WeakPolarHBondContact O-CB 3.44Å; M14-S18 PolarHBondContact O-N 3.31Å
15	K	68.2	Low	61.2	Low	124 Å²	124	117 Å²	117	54%	0.539	55%	0.546	S	S	.	.	H	α-helix	trans	-65.7	-44	170.5	-71.2	170.9	-167	157.1	0	111.3	K11 D12 S17 S18 L19	K11-K15 WeakPolarHBondContact O-CG 3.49Å; K11-K15 PolarHBondContact O-N 2.86Å; K11-K15 VanDerWaalsContact O-N 3.16Å; D12-K15 PolarHBondContact O-N 3.49Å; D12-K15 IonicContact OD1-NZ 3.67Å; D12-K15 PolarHBondContact OD1-NZ 2.78Å; K15-S17 PolarHBondContact O-N 3.17Å; K15-S18 PolarHBondContact O-N 2.99Å; K15-L19 VanDerWaalsContact O-CG 3.32Å; K15-L19 WeakPolarHBondContact O-CG 3.38Å; K15-L19 PolarHBondContact O-N 2.74Å
16	E	64.1	Low	61.7	Low	98 Å²	98	121.3 Å²	121.3	46%	0.458	56%	0.555	S	S	.	*	H	α-helix	trans	-62.2	-41.9	-178	-160	-168.8	154.1	0	0	112	D12 R13 L19 K20	D12-E16 PolarHBondContact O-N 2.82Å; R13-E16 PolarHBondContact O-N 3.34Å; E16-L19 PolarHBondContact O-N 2.69Å; E16-K20 WeakPolarHBondContact O-CG 3.08Å; E16-K20 PolarHBondContact O-N 2.89Å; E16-K20 VanDerWaalsContact OE1-CE 3.24Å; E16-K20 WeakPolarHBondContact OE1-CE 3.35Å; E16-K20 IonicContact OE1-NZ 3.8Å; E16-K20 PolarHBondContact OE1-NZ 3.28Å
17	S	59.9	Low	62.2	Low	65 Å²	65	122 Å²	122	46%	0.455	56%	0.561	S	S	.	*	H	α-helix	trans	-66.4	-41.9	175	69.3	0	0	0	0	112.4	R13 M14 K15 L19 K20 I21	R13-S17 PolarHBondContact O-N 3.34Å; M14-S17 PolarHBondContact O-OG 3.47Å; M14-S17 VanDerWaalsContact O-OG 3.13Å; K15-S17 PolarHBondContact O-N 3.17Å; S17-L19 VanDerWaalsContact C-N 3.33Å; S17-L19 PolarHBondContact O-N 2.98Å; S17-K20 PolarHBondContact O-N 3.37Å; S17-I21 WeakPolarHBondContact O-CG1 3.5Å; S17-I21 PolarHBondContact O-N 3Å
18	S	65.3	Low	62.5	Low	60 Å²	60	125.9 Å²	125.9	42%	0.42	57%	0.571	S	S	.	*	H	α-helix	trans	-61.9	-38.2	176.4	-169.9	0	0	0	0	112.7	M14 K15 K22	M14-S18 WeakPolarHBondContact O-CB 3.44Å; M14-S18 PolarHBondContact O-N 3.31Å; K15-S18 PolarHBondContact O-N 2.99Å; S18-K22 PolarHBondContact O-N 2.91Å
19	L	64	Low	62.1	Low	118 Å²	118	122.3 Å²	122.3	62%	0.618	56%	0.562	S	S	*	*	H	α-helix	trans	-66.5	-47.1	174.4	-71.5	168.8	0	0	0	111.6	K15 E16 S17 I21 K22 E23	K15-L19 VanDerWaalsContact O-CG 3.32Å; K15-L19 WeakPolarHBondContact O-CG 3.38Å; K15-L19 PolarHBondContact O-N 2.74Å; E16-L19 PolarHBondContact O-N 2.69Å; S17-L19 VanDerWaalsContact C-N 3.33Å; S17-L19 PolarHBondContact O-N 2.98Å; L19-I21 VanDerWaalsContact C-N 3.28Å; L19-I21 PolarHBondContact O-N 3.16Å; L19-K22 PolarHBondContact O-N 2.94Å; L19-E23 WeakPolarHBondContact O-CB 3.46Å; L19-E23 PolarHBondContact O-N 3.48Å
20	K	64.3	Low	61.4	Low	119 Å²	119	118 Å²	118	52%	0.517	55%	0.554	S	S	.	*	H	α-helix	trans	-61	-34.2	177	-73.1	174.2	-177.2	174.7	0	112.9	E16 S17 K24	E16-K20 WeakPolarHBondContact O-CG 3.08Å; E16-K20 PolarHBondContact O-N 2.89Å; E16-K20 VanDerWaalsContact OE1-CE 3.24Å; E16-K20 WeakPolarHBondContact OE1-CE 3.35Å; E16-K20 IonicContact OE1-NZ 3.8Å; E16-K20 PolarHBondContact OE1-NZ 3.28Å; S17-K20 PolarHBondContact O-N 3.37Å; K20-K24 WeakPolarHBondContact O-CB 3.49Å; K20-K24 PolarHBondContact O-N 3.02Å
21	I	70.8	Confident	60.9	Low	107 Å²	107	121.7 Å²	121.7	55%	0.549	56%	0.562	S	S	.	*	H	α-helix	trans	-66	-48.9	173.6	-69	164.3	0	0	0	110.8	S17 L19 E23 K24 E25	S17-I21 WeakPolarHBondContact O-CG1 3.5Å; S17-I21 PolarHBondContact O-N 3Å; L19-I21 VanDerWaalsContact C-N 3.28Å; L19-I21 PolarHBondContact O-N 3.16Å; I21-E23 VanDerWaalsContact C-N 3.29Å; I21-E23 PolarHBondContact O-N 3.28Å; I21-K24 PolarHBondContact O-N 3.03Å; I21-E25 PolarHBondContact O-N 3.38Å
22	K	65.2	Low	60.3	Low	128 Å²	128	119.7 Å²	119.7	56%	0.557	56%	0.555	S	S	*	*	H	α-helix	trans	-62.7	-33.3	177.2	-80.5	178.8	172.8	171.9	0	113.4	S18 L19 R26	S18-K22 PolarHBondContact O-N 2.91Å; L19-K22 PolarHBondContact O-N 2.94Å; K22-R26 WeakPolarHBondContact O-CG 3.33Å; K22-R26 PolarHBondContact O-N 2.9Å; K22-R26 VanDerWaalsContact O-N 3.12Å
23	E	62	Low	59.8	Low	121 Å²	121	123.2 Å²	123.2	57%	0.565	56%	0.563	S	S	*	*	H	α-helix	trans	-68.7	-43	173.9	-173.7	164.8	-142.2	0	0	111.6	L19 I21 E25 R26 L27	L19-E23 WeakPolarHBondContact O-CB 3.46Å; L19-E23 PolarHBondContact O-N 3.48Å; I21-E23 VanDerWaalsContact C-N 3.29Å; I21-E23 PolarHBondContact O-N 3.28Å; E23-E25 PolarHBondContact O-N 3.12Å; E23-R26 PolarHBondContact O-N 2.83Å; E23-L27 HydrophobicContact CG-CD1 4.18Å; E23-L27 WeakPolarHBondContact O-CG 3.37Å; E23-L27 PolarHBondContact O-N 3.42Å
24	K	62.3	Low	58.8	Low	166 Å²	166	120.2 Å²	120.2	72%	0.722	56%	0.557	S	S	*	*	H	α-helix	trans	-62.8	-37.3	175.8	-167.1	175	-176.1	178.5	0	112.8	K20 I21 K28	K20-K24 WeakPolarHBondContact O-CB 3.49Å; K20-K24 PolarHBondContact O-N 3.02Å; I21-K24 PolarHBondContact O-N 3.03Å; K24-K28 PolarHBondContact O-N 2.83Å
25	E	60	Low	57.9	Low	133 Å²	133	117.9 Å²	117.9	62%	0.621	56%	0.558	S	S	*	*	H	α-helix	trans	-65.6	-46.4	171.4	-73	-165.7	124.2	0	0	112.3	I21 E23 L27 K28 E29	I21-E25 PolarHBondContact O-N 3.38Å; E23-E25 PolarHBondContact O-N 3.12Å; E25-L27 VanDerWaalsContact C-N 3.31Å; E25-L27 PolarHBondContact O-N 3.27Å; E25-K28 WeakPolarHBondContact O-CB 3.46Å; E25-K28 PolarHBondContact O-N 3.37Å; E25-E29 PolarHBondContact O-N 3.22Å
26	R	60	Low	57.3	Low	186 Å²	186	119 Å²	119	70%	0.702	56%	0.558	S	S	*	*	H	α-helix	trans	-59.5	-40.9	177.4	-77.8	174.9	168.7	-167.5	-3.7	112.4	K22 E23 K28 E29 T30	K22-R26 WeakPolarHBondContact O-CG 3.33Å; K22-R26 PolarHBondContact O-N 2.9Å; K22-R26 VanDerWaalsContact O-N 3.12Å; E23-R26 PolarHBondContact O-N 2.83Å; R26-K28 VanDerWaalsContact C-N 3.3Å; R26-K28 PolarHBondContact O-N 3.37Å; R26-E29 PolarHBondContact O-N 3.08Å; R26-T30 PolarHBondContact O-N 2.76Å; R26-T30 PolarHBondContact O-OG1 3.37Å
27	L	59.8	Low	56.9	Low	111 Å²	111	116.6 Å²	116.6	58%	0.581	55%	0.553	S	S	*	*	H	α-helix	trans	-64.4	-32	175	-75.2	165.6	0	0	0	112.8	E23 E25 T30 R31	E23-L27 HydrophobicContact CG-CD1 4.18Å; E23-L27 WeakPolarHBondContact O-CG 3.37Å; E23-L27 PolarHBondContact O-N 3.42Å; E25-L27 VanDerWaalsContact C-N 3.31Å; E25-L27 PolarHBondContact O-N 3.27Å; L27-T30 WeakPolarHBondContact CA-OG1 3.31Å; L27-T30 PolarHBondContact O-OG1 2.97Å; L27-T30 VanDerWaalsContact O-OG1 3.12Å; L27-R31 WeakPolarHBondContact O-CB 3.49Å; L27-R31 PolarHBondContact O-N 2.93Å
28	K	56	Low	56.6	Low	135 Å²	135	117.7 Å²	117.7	59%	0.587	56%	0.56	S	S	*	*	H	α-helix	trans	-70	-46.2	171.7	-169	-174	175.1	-165.1	0	111.1	K24 E25 R26 T30 R31 E32	K24-K28 PolarHBondContact O-N 2.83Å; E25-K28 WeakPolarHBondContact O-CB 3.46Å; E25-K28 PolarHBondContact O-N 3.37Å; R26-K28 VanDerWaalsContact C-N 3.3Å; R26-K28 PolarHBondContact O-N 3.37Å; K28-T30 VanDerWaalsContact C-N 3.35Å; K28-T30 PolarHBondContact O-N 2.97Å; K28-R31 PolarHBondContact O-N 3.44Å; K28-E32 VanDerWaalsContact CE-OE1 3.23Å; K28-E32 WeakPolarHBondContact CE-OE1 3.31Å; K28-E32 IonicContact NZ-OE1 3.4Å; K28-E32 PolarHBondContact O-N 3.02Å
29	E	47.8	Very low	56.4	Low	100 Å²	100	115.8 Å²	115.8	47%	0.467	55%	0.547	S	S	.	.	H	α-helix	trans	-66.2	-32.1	-179.3	-153.1	-154.4	152.9	0	0	112.9	E25 R26 R33	E25-E29 PolarHBondContact O-N 3.22Å; R26-E29 PolarHBondContact O-N 3.08Å; E29-R33 PolarHBondContact O-N 3.42Å; E29-R33 IonicContact OE1-CZ 3.1Å; E29-R33 IonicContact OE1-NH1 3.97Å; E29-R33 PolarHBondContact OE1-NH1 3.28Å; E29-R33 IonicContact OE1-NH2 2.74Å; E29-R33 PolarHBondContact OE1-NH2 2.99Å; E29-R33 IonicContact OE2-NH1 2.63Å
30	T	46.3	Very low	56.7	Low	69 Å²	69	110.6 Å²	110.6	42%	0.423	52%	0.521	S	S	.	.	H	α-helix	trans	-71.2	-45.3	171.5	49.7	0	0	0	0	111.7	R26 L27 K28 E32 R33 E34	R26-T30 PolarHBondContact O-N 2.76Å; R26-T30 PolarHBondContact O-OG1 3.37Å; L27-T30 WeakPolarHBondContact CA-OG1 3.31Å; L27-T30 PolarHBondContact O-OG1 2.97Å; L27-T30 VanDerWaalsContact O-OG1 3.12Å; K28-T30 VanDerWaalsContact C-N 3.35Å; K28-T30 PolarHBondContact O-N 2.97Å; T30-E32 VanDerWaalsContact C-N 3.29Å; T30-E32 PolarHBondContact O-N 3.01Å; T30-R33 WeakPolarHBondContact O-CA 3.25Å; T30-R33 WeakPolarHBondContact O-CB 3.45Å; T30-R33 PolarHBondContact O-N 2.81Å; T30-E34 PolarHBondContact O-N 2.9Å
31	R	46.4	Very low	57.6	Low	197 Å²	197	105.1 Å²	105.1	74%	0.743	50%	0.498	S	S	*	.	H	α-helix	trans	-60.8	-37.6	178.7	-163.9	173.7	-174.6	-178.7	1.3	112	L27 K28 R33 A35	L27-R31 WeakPolarHBondContact O-CB 3.49Å; L27-R31 PolarHBondContact O-N 2.93Å; K28-R31 PolarHBondContact O-N 3.44Å; R31-R33 VanDerWaalsContact C-N 3.34Å; R31-A35 WeakPolarHBondContact O-CB 3.4Å; R31-A35 PolarHBondContact O-N 3.42Å; R31-A35 VanDerWaalsContact O-N 3.16Å
32	E	48.1	Very low	58.2	Low	90 Å²	90	103.5 Å²	103.5	42%	0.421	49%	0.49	S	S	.	.	H	α-helix	trans	-71.6	-20.1	172.2	-75.1	-173.9	-149.7	0	0	114.4	K28 T30 R36	K28-E32 VanDerWaalsContact CE-OE1 3.23Å; K28-E32 WeakPolarHBondContact CE-OE1 3.31Å; K28-E32 IonicContact NZ-OE1 3.4Å; K28-E32 PolarHBondContact O-N 3.02Å; T30-E32 VanDerWaalsContact C-N 3.29Å; T30-E32 PolarHBondContact O-N 3.01Å; E32-R36 WeakPolarHBondContact O-CD 3.25Å; E32-R36 WeakPolarHBondContact O-CG 3.36Å; E32-R36 PolarHBondContact O-NE 2.75Å
33	R	52	Low	59.1	Low	144 Å²	144	98.6 Å²	98.6	54%	0.543	47%	0.469	S	S	.	.	H	α-helix	trans	-81.7	-42	169.5	-83	-164.4	-179.7	86.2	9.5	112.2	E29 T30 R31 A35 R36	E29-R33 PolarHBondContact O-N 3.42Å; E29-R33 IonicContact OE1-CZ 3.1Å; E29-R33 IonicContact OE1-NH1 3.97Å; E29-R33 PolarHBondContact OE1-NH1 3.28Å; E29-R33 IonicContact OE1-NH2 2.74Å; E29-R33 PolarHBondContact OE1-NH2 2.99Å; E29-R33 IonicContact OE2-NH1 2.63Å; T30-R33 WeakPolarHBondContact O-CA 3.25Å; T30-R33 WeakPolarHBondContact O-CB 3.45Å; T30-R33 PolarHBondContact O-N 2.81Å; R31-R33 VanDerWaalsContact C-N 3.34Å; R33-A35 VanDerWaalsContact C-N 3.34Å; R33-A35 PolarHBondContact O-N 3.07Å; R33-R36 WeakPolarHBondContact O-CB 3.5Å; R33-R36 PolarHBondContact O-N 3.26Å
34	E	47.3	Very low	60.2	Low	132 Å²	132	96.6 Å²	96.6	62%	0.617	47%	0.465	S	S	*	.	H	α-helix	trans	-61.9	-43.2	179.3	-71.1	179.2	144.4	0	0	111.3	T30 R36 S37	T30-E34 PolarHBondContact O-N 2.9Å; E34-R36 PolarHBondContact O-N 2.87Å; E34-S37 PolarHBondContact O-N 2.94Å; E34-S37 PolarHBondContact O-OG 3.34Å
35	A	47	Very low	61.4	Low	73 Å²	73	91.2 Å²	91.2	60%	0.603	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-21.5	173.2	0	0	0	0	0	114.1	R31 R33 S37	R31-A35 WeakPolarHBondContact O-CB 3.4Å; R31-A35 PolarHBondContact O-N 3.42Å; R31-A35 VanDerWaalsContact O-N 3.16Å; R33-A35 VanDerWaalsContact C-N 3.34Å; R33-A35 PolarHBondContact O-N 3.07Å; A35-S37 VanDerWaalsContact C-N 3.35Å
36	R	54.3	Low	62.5	Low	146 Å²	146	87.7 Å²	87.7	55%	0.551	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-5.1	177.6	-61.8	173.9	-161.4	-146.9	1.3	113.5	E32 R33 E34 R81	E32-R36 WeakPolarHBondContact O-CD 3.25Å; E32-R36 WeakPolarHBondContact O-CG 3.36Å; E32-R36 PolarHBondContact O-NE 2.75Å; R33-R36 WeakPolarHBondContact O-CB 3.5Å; R33-R36 PolarHBondContact O-N 3.26Å; E34-R36 PolarHBondContact O-N 2.87Å; R36-R81 PolarHBondContact O-NH2 2.96Å
37	S	55.4	Low	63.6	Low	49 Å²	49	83.8 Å²	83.8	34%	0.343	43%	0.434	S	S	.	.			trans	-118.7	-2.6	-162.9	73.2	0	0	0	0	116.9	E34 A35 S39 G40	E34-S37 PolarHBondContact O-N 2.94Å; E34-S37 PolarHBondContact O-OG 3.34Å; A35-S37 VanDerWaalsContact C-N 3.35Å; S37-S39 PolarHBondContact O-N 3.23Å; S37-S39 VanDerWaalsContact O-N 3.16Å; S37-G40 PolarHBondContact O-N 3.05Å
38	S	54.9	Low	64.5	Low	88 Å²	88	79.9 Å²	79.9	62%	0.615	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.1	-47.9	-171.4	53.1	0	0	0	0	115.6	G40	S38-G40 VanDerWaalsContact C-N 3.34Å; S38-G40 PolarHBondContact O-N 2.91Å
39	S	61.5	Low	65.4	Low	20 Å²	20	77.4 Å²	77.4	14%	0.14	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	7.6	-177.9	63	0	0	0	0	114.5	S37 H41 S86 C87	S37-S39 PolarHBondContact O-N 3.23Å; S37-S39 VanDerWaalsContact O-N 3.16Å; S39-H41 PolarHBondContact O-CD2 3.24Å; S39-H41 PolarHBondContact O-N 2.74Å; S39-H41 VanDerWaalsContact O-N 3.09Å; S39-S86 WeakPolarHBondContact O-CA 3.49Å; S39-S86 VanDerWaalsContact O-CB 3.22Å; S39-S86 WeakPolarHBondContact O-CB 3.22Å; S39-C87 PolarHBondContact O-N 3.08Å
40	G	70	Confident	66.3	Low	8 Å²	8	75.8 Å²	75.8	8%	0.082	42%	0.418	C	S	.	.	S	Bend	trans	69.2	-0.4	-178.1	0	0	0	0	0	115	S37 S38	S37-G40 PolarHBondContact O-N 3.05Å; S38-G40 VanDerWaalsContact C-N 3.34Å; S38-G40 PolarHBondContact O-N 2.91Å
41	H	81.5	Confident	67.7	Low	4 Å²	4	78.3 Å²	78.3	2%	0.019	43%	0.434	C	S	.	.			trans	-78.2	151.8	164.7	-70.1	-95.3	0	0	0	110.2	S39 F43 C69 V84 A85 C87	S39-H41 PolarHBondContact O-CD2 3.24Å; S39-H41 PolarHBondContact O-N 2.74Å; S39-H41 VanDerWaalsContact O-N 3.09Å; H41-F43 HydrophobicContact CB-CD2 3.82Å; H41-F43 HydrophobicContact CB-CE1 4.19Å; H41-F43 HydrophobicContact CB-CE2 3.39Å; H41-F43 HydrophobicContact CB-CG 4.39Å; H41-F43 HydrophobicContact CB-CZ 3.59Å; H41-F43 AromaticContact CG-CE2 3.82Å; H41-F43 AromaticContact CG-CZ 3.56Å; H41-F43 AromaticContact ND1-CZ 3.76Å; H41-C69 HydrophobicContact CB-CB 4.16Å; H41-C69 WeakPolarHBondContact ND1-CB 3.47Å; H41-C69 PolarHBondContact ND1-SG 3.3Å; H41-V84 WeakPolarHBondContact NE2-CG1 3.29Å; H41-A85 PolarHBondContact NE2-O 2.79Å; H41-C87 HydrophobicContact CB-CB 4.38Å
42	L	83.4	Confident	69.4	Low	74 Å²	74	70.8 Å²	70.8	39%	0.387	41%	0.41	S	S	.	.			trans	-114.8	92.8	165.2	-174.7	76.2	0	0	0	107.3	P70 M90	L42-P70 WeakPolarHBondContact O-CD 3.4Å; L42-M90 HydrophobicContact CB-CE 3.8Å; L42-M90 HydrophobicContact CB-CG 3.93Å; L42-M90 HydrophobicContact CB-SD 4.36Å; L42-M90 HydrophobicContact CD2-CE 3.73Å; L42-M90 HydrophobicContact CG-CE 4.42Å
43	F	85.2	Confident	71.2	Confident	24 Å²	24	71.2 Å²	71.2	11%	0.105	42%	0.415	C	S	.	.			trans	-79.1	127.7	-179.5	-71	-64.6	0	0	0	111.7	H41 L67 S68 C69 I76 R81	H41-F43 HydrophobicContact CB-CD2 3.82Å; H41-F43 HydrophobicContact CB-CE1 4.19Å; H41-F43 HydrophobicContact CB-CE2 3.39Å; H41-F43 HydrophobicContact CB-CG 4.39Å; H41-F43 HydrophobicContact CB-CZ 3.59Å; H41-F43 AromaticContact CG-CE2 3.82Å; H41-F43 AromaticContact CG-CZ 3.56Å; H41-F43 AromaticContact ND1-CZ 3.76Å; F43-L67 HydrophobicContact CB-CB 4.04Å; F43-L67 HydrophobicContact CB-CD1 4.04Å; F43-L67 HydrophobicContact CB-CD2 4.33Å; F43-L67 HydrophobicContact CB-CG 4.37Å; F43-L67 HydrophobicContact CD1-CB 3.91Å; F43-L67 HydrophobicContact CG-CB 4.14Å; F43-L67 HydrophobicContact CG-CD1 4.24Å; F43-S68 WeakPolarHBondContact CA-O 3.49Å; F43-C69 HydrophobicContact CD1-CB 3.99Å; F43-C69 HydrophobicContact CE1-CB 3.86Å; F43-I76 HydrophobicContact CD1-CD1 4.17Å; F43-I76 HydrophobicContact CD1-CG1 4.49Å; F43-I76 HydrophobicContact CE1-CD1 3.54Å; F43-I76 HydrophobicContact CE1-CG1 4.05Å; F43-I76 HydrophobicContact CE2-CD1 3.98Å; F43-I76 HydrophobicContact CZ-CD1 3.43Å; F43-I76 VanDerWaalsContact CZ-CD1 3.43Å; F43-I76 HydrophobicContact CZ-CG1 4.42Å; F43-R81 HydrophobicContact CD2-CG 4.05Å; F43-R81 HydrophobicContact CE2-CG 4.12Å
44	T	85.4	Confident	73	Confident	79 Å²	79	64.4 Å²	64.4	49%	0.485	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	143.5	169.4	-50.4	0	0	0	0	108.5	L67 S68	T44-L67 WeakPolarHBondContact O-CA 3.46Å; T44-S68 PolarHBondContact N-O 2.98Å; T44-S68 PolarHBondContact O-N 3.11Å
45	S	86.3	Confident	74.9	Confident	54 Å²	54	61.1 Å²	61.1	38%	0.378	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	143.2	171.7	-161.4	0	0	0	0	111	E65 A66	S45-E65 WeakPolarHBondContact CB-OE2 3.43Å; S45-E65 PolarHBondContact OG-OE2 3.15Å; S45-A66 CarbonylContact C-O 3.58Å; S45-A66 WeakPolarHBondContact CA-O 3.4Å; S45-A66 PolarHBondContact OG-O 2.78Å
46	L	84.2	Confident	76.8	Confident	59 Å²	59	59.5 Å²	59.5	31%	0.309	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	152.6	174.6	67.6	155.7	0	0	0	110.4	V48 A66 S68	L46-V48 HydrophobicContact CD1-CG1 3.79Å; L46-V48 HydrophobicContact CG-CG1 3.95Å; L46-A66 HydrophobicContact CD2-CB 4.41Å; L46-A66 WeakPolarHBondContact CD2-O 3.35Å; L46-A66 PolarHBondContact N-O 2.79Å; L46-A66 PolarHBondContact O-N 2.65Å; L46-S68 VanDerWaalsContact CD2-CB 3.5Å; L46-S68 VanDerWaalsContact CD2-N 3.28Å; L46-S68 WeakPolarHBondContact CD2-OG 3.25Å
47	S	83.1	Confident	78.4	Confident	103 Å²	103	55 Å²	55	72%	0.72	36%	0.355	S	S	*	.			trans	-78.2	135.3	167.8	55.7	0	0	0	0	111.5	K64	S47-K64 VanDerWaalsContact CA-O 3.28Å; S47-K64 WeakPolarHBondContact CA-O 3.46Å
48	V	79.3	Confident	79.8	Confident	29 Å²	29	58.5 Å²	58.5	18%	0.176	37%	0.37	C	S	.	.			trans	-130.9	152.3	176.2	-58.3	0	0	0	0	111.2	L46 T52 I61 A66	L46-V48 HydrophobicContact CD1-CG1 3.79Å; L46-V48 HydrophobicContact CG-CG1 3.95Å; V48-T52 HydrophobicContact CB-CG2 4.29Å; V48-T52 HydrophobicContact CG2-CG2 4.41Å; V48-I61 HydrophobicContact CG2-CB 4.04Å; V48-I61 HydrophobicContact CG2-CD1 4.48Å; V48-I61 HydrophobicContact CG2-CG2 3.79Å; V48-A66 HydrophobicContact CB-CB 4.39Å; V48-A66 HydrophobicContact CG1-CB 3.73Å; V48-A66 HydrophobicContact CG2-CB 3.72Å
49	S	74.7	Confident	81.4	Confident	84 Å²	84	61.5 Å²	61.5	59%	0.587	37%	0.372	S	S	*	.			trans	-67.9	145	172.9	-55.9	0	0	0	0	110.8	T51 T52	S49-T51 PolarHBondContact O-N 3.03Å; S49-T52 VanDerWaalsContact O-CB 3.3Å; S49-T52 WeakPolarHBondContact O-CB 3.42Å; S49-T52 PolarHBondContact O-N 2.73Å; S49-T52 PolarHBondContact O-OG1 3.41Å
50	A	65.6	Low	82.5	Confident	65 Å²	65	63.2 Å²	63.2	54%	0.537	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-12	-172.6	0	0	0	0	0	115.5	I61	A50-I61 WeakPolarHBondContact CA-O 3.23Å
51	T	75	Confident	83.2	Confident	123 Å²	123	62.8 Å²	62.8	76%	0.755	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-9.2	172.8	47.9	0	0	0	0	114.1	S49 L53	S49-T51 PolarHBondContact O-N 3.03Å; T51-L53 PolarHBondContact O-N 3.32Å
52	T	82.6	Confident	82.9	Confident	38 Å²	38	68.1 Å²	68.1	23%	0.233	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-71	127.6	-176.8	-50.6	0	0	0	0	110.9	V48 S49 S60 I61	V48-T52 HydrophobicContact CB-CG2 4.29Å; V48-T52 HydrophobicContact CG2-CG2 4.41Å; S49-T52 VanDerWaalsContact O-CB 3.3Å; S49-T52 WeakPolarHBondContact O-CB 3.42Å; S49-T52 PolarHBondContact O-N 2.73Å; S49-T52 PolarHBondContact O-OG1 3.41Å; T52-S60 CarbonylContact O-C 3.54Å; T52-S60 WeakPolarHBondContact O-CA 3.39Å; T52-I61 HydrophobicContact CG2-CD1 4.26Å; T52-I61 PolarHBondContact O-N 2.87Å
53	L	87.2	Confident	82.2	Confident	100 Å²	100	67.1 Å²	67.1	52%	0.524	42%	0.415	S	S	.	.	B	Isolated β-bridge	trans	-87.8	139.9	178.6	-60.7	179.9	0	0	0	112.2	T51 S55	T51-L53 PolarHBondContact O-N 3.32Å; L53-S55 PolarHBondContact O-N 2.95Å
54	C	89.8	Confident	81.2	Confident	0 Å²	0	75.1 Å²	75.1	0%	0	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-76	117.4	172.5	171.4	0	0	0	0	110.6	S56 C57 N58 K59 I61 T75 I76 H77	C54-S56 PolarHBondContact O-N 3.19Å; C54-C57 PolarHBondContact O-N 3.09Å; C54-C57 VanDerWaalsContact SG-SG 3.62Å; C54-N58 WeakPolarHBondContact O-CA 3.32Å; C54-N58 PolarHBondContact O-N 3.31Å; C54-K59 WeakPolarHBondContact CB-O 3.19Å; C54-K59 PolarHBondContact N-O 3.31Å; C54-I61 HydrophobicContact CB-CD1 4.19Å; C54-I61 HydrophobicContact CB-CG1 3.92Å; C54-T75 WeakPolarHBondContact CA-O 3.39Å; C54-I76 VanDerWaalsContact SG-CA 3.57Å; C54-H77 WeakPolarHBondContact CB-CE1 3.33Å; C54-H77 WeakPolarHBondContact CB-ND1 3.25Å; C54-H77 PolarHBondContact SG-N 2.72Å; C54-H77 VanDerWaalsContact SG-N 3.45Å; C54-H77 PolarHBondContact SG-ND1 3.11Å; C54-H77 VanDerWaalsContact SG-ND1 3.39Å
55	S	87.1	Confident	80.8	Confident	64 Å²	64	77.5 Å²	77.5	45%	0.448	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	2.1	-174.9	-31.4	0	0	0	0	115.2	L53 T75	L53-S55 PolarHBondContact O-N 2.95Å; S55-T75 PolarHBondContact N-O 2.84Å; S55-T75 PolarHBondContact OG-N 3.4Å; S55-T75 PolarHBondContact OG-O 3.12Å; S55-T75 VanDerWaalsContact OG-O 3.12Å
56	S	87.2	Confident	80.8	Confident	38 Å²	38	75 Å²	75	27%	0.266	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-35.1	176.8	-177.3	0	0	0	0	112.7	C54 S83	C54-S56 PolarHBondContact O-N 3.19Å; S56-S83 WeakPolarHBondContact OG-CB 3.32Å; S56-S83 PolarHBondContact OG-O 3.07Å; S56-S83 PolarHBondContact OG-OG 3.26Å
57	C	86.8	Confident	81.1	Confident	52 Å²	52	73 Å²	73	35%	0.351	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.5	0.8	-175.5	72.9	0	0	0	0	114.3	C54 K59 H77	C54-C57 PolarHBondContact O-N 3.09Å; C54-C57 VanDerWaalsContact SG-SG 3.62Å; C57-K59 PolarHBondContact O-N 3.14Å; C57-H77 VanDerWaalsContact SG-CE1 3.55Å
58	N	86.1	Confident	81.3	Confident	123 Å²	123	69.1 Å²	69.1	66%	0.658	40%	0.401	S	S	*	.			trans	53.1	20.8	-179.9	-64	-17.6	0	0	0	115.8	C54	C54-N58 WeakPolarHBondContact O-CA 3.32Å; C54-N58 PolarHBondContact O-N 3.31Å
59	K	87.2	Confident	81.7	Confident	151 Å²	151	67.8 Å²	67.8	66%	0.657	39%	0.392	S	S	*	.			trans	-99.4	152.7	171.8	-62.8	-178.6	-176.7	-175	0	110.6	C54 C57	C54-K59 WeakPolarHBondContact CB-O 3.19Å; C54-K59 PolarHBondContact N-O 3.31Å; C57-K59 PolarHBondContact O-N 3.14Å
60	S	85.3	Confident	82	Confident	55 Å²	55	66.4 Å²	66.4	39%	0.385	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-61.6	146.9	178.4	46	0	0	0	0	113	T52 T62 H77	T52-S60 CarbonylContact O-C 3.54Å; T52-S60 WeakPolarHBondContact O-CA 3.39Å; S60-T62 PolarHBondContact O-N 2.97Å; S60-H77 PolarHBondContact O-NE2 3.47Å
61	I	84.9	Confident	82.6	Confident	0 Å²	0	64 Å²	64	0%	0	36%	0.363	C	S	.	.			trans	-94.4	90.4	175	-56.5	168	0	0	0	107.5	V48 A50 T52 C54 A63 A66	V48-I61 HydrophobicContact CG2-CB 4.04Å; V48-I61 HydrophobicContact CG2-CD1 4.48Å; V48-I61 HydrophobicContact CG2-CG2 3.79Å; A50-I61 WeakPolarHBondContact CA-O 3.23Å; T52-I61 HydrophobicContact CG2-CD1 4.26Å; T52-I61 PolarHBondContact O-N 2.87Å; C54-I61 HydrophobicContact CB-CD1 4.19Å; C54-I61 HydrophobicContact CB-CG1 3.92Å; I61-A63 VanDerWaalsContact C-N 3.31Å; I61-A66 HydrophobicContact CD1-CB 4.03Å; I61-A66 HydrophobicContact CG2-CB 4.06Å
62	T	74.1	Confident	83.1	Confident	115 Å²	115	60.2 Å²	60.2	71%	0.706	34%	0.341	S	S	*	.			trans	-82.4	-7.3	178.7	53	0	0	0	0	113.7	S60	S60-T62 PolarHBondContact O-N 2.97Å
63	A	69.1	Low	83.2	Confident	53 Å²	53	64.5 Å²	64.5	44%	0.438	36%	0.363	S	S	.	.	S	Bend	trans	-81.5	145	175.2	0	0	0	0	0	111	I61 E65	I61-A63 VanDerWaalsContact C-N 3.31Å; A63-E65 PolarHBondContact O-N 2.74Å; A63-E65 VanDerWaalsContact O-N 3.09Å
64	K	65.3	Low	83.2	Confident	193 Å²	193	61.4 Å²	61.4	84%	0.839	35%	0.348	S	S	*	.	S	Bend	trans	-60.7	-15.9	174.9	-86.7	-172	174.4	-178.4	0	114.3	S47	S47-K64 VanDerWaalsContact CA-O 3.28Å; S47-K64 WeakPolarHBondContact CA-O 3.46Å
65	E	75.8	Confident	83.2	Confident	129 Å²	129	62.8 Å²	62.8	60%	0.603	36%	0.356	S	S	*	.			trans	-123.5	130	176.9	-74.8	-172.4	-130	0	0	111.8	S45 A63	S45-E65 WeakPolarHBondContact CB-OE2 3.43Å; S45-E65 PolarHBondContact OG-OE2 3.15Å; A63-E65 PolarHBondContact O-N 2.74Å; A63-E65 VanDerWaalsContact O-N 3.09Å
66	A	86.9	Confident	83.4	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.008	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	160.3	168.3	0	0	0	0	0	109.8	S45 L46 V48 I61	S45-A66 CarbonylContact C-O 3.58Å; S45-A66 WeakPolarHBondContact CA-O 3.4Å; S45-A66 PolarHBondContact OG-O 2.78Å; L46-A66 HydrophobicContact CD2-CB 4.41Å; L46-A66 WeakPolarHBondContact CD2-O 3.35Å; L46-A66 PolarHBondContact N-O 2.79Å; L46-A66 PolarHBondContact O-N 2.65Å; V48-A66 HydrophobicContact CB-CB 4.39Å; V48-A66 HydrophobicContact CG1-CB 3.73Å; V48-A66 HydrophobicContact CG2-CB 3.72Å; I61-A66 HydrophobicContact CD1-CB 4.03Å; I61-A66 HydrophobicContact CG2-CB 4.06Å
67	L	89.4	Confident	83.5	Confident	17 Å²	17	58.7 Å²	58.7	9%	0.089	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	137.4	164.5	-65	-176.3	0	0	0	109.6	F43 T44 T75 I76	F43-L67 HydrophobicContact CB-CB 4.04Å; F43-L67 HydrophobicContact CB-CD1 4.04Å; F43-L67 HydrophobicContact CB-CD2 4.33Å; F43-L67 HydrophobicContact CB-CG 4.37Å; F43-L67 HydrophobicContact CD1-CB 3.91Å; F43-L67 HydrophobicContact CG-CB 4.14Å; F43-L67 HydrophobicContact CG-CD1 4.24Å; T44-L67 WeakPolarHBondContact O-CA 3.46Å; L67-T75 CarbonylContact O-C 3.52Å; L67-T75 WeakPolarHBondContact O-CA 3.42Å; L67-I76 HydrophobicContact CB-CD1 4.49Å; L67-I76 HydrophobicContact CB-CG1 3.87Å; L67-I76 PolarHBondContact N-O 3.41Å; L67-I76 PolarHBondContact O-N 2.89Å
68	S	88.1	Confident	83.4	Confident	22 Å²	22	61.6 Å²	61.6	15%	0.154	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	153.4	161.9	89.4	0	0	0	0	113.8	F43 T44 L46 V74	F43-S68 WeakPolarHBondContact CA-O 3.49Å; T44-S68 PolarHBondContact N-O 2.98Å; T44-S68 PolarHBondContact O-N 3.11Å; L46-S68 VanDerWaalsContact CD2-CB 3.5Å; L46-S68 VanDerWaalsContact CD2-N 3.28Å; L46-S68 WeakPolarHBondContact CD2-OG 3.25Å; S68-V74 WeakPolarHBondContact CA-O 3.42Å; S68-V74 VanDerWaalsContact CB-O 3.28Å; S68-V74 WeakPolarHBondContact CB-O 3.46Å
69	C	87.5	Confident	83.3	Confident	0 Å²	0	66 Å²	66	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	105.7	179.1	179	0	0	0	0	110	H41 F43 G71 C72 N73 V74	H41-C69 HydrophobicContact CB-CB 4.16Å; H41-C69 WeakPolarHBondContact ND1-CB 3.47Å; H41-C69 PolarHBondContact ND1-SG 3.3Å; F43-C69 HydrophobicContact CD1-CB 3.99Å; F43-C69 HydrophobicContact CE1-CB 3.86Å; C69-G71 PolarHBondContact O-N 3.43Å; C69-C72 PolarHBondContact O-N 3.42Å; C69-N73 WeakPolarHBondContact O-CA 3.18Å; C69-N73 PolarHBondContact O-N 3.03Å; C69-V74 PolarHBondContact N-O 3.33Å
70	P	81.1	Confident	83.2	Confident	56 Å²	56	59.4 Å²	59.4	36%	0.364	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	14	-177	31.8	-36.5	0	0	0	114	L42 R93	L42-P70 WeakPolarHBondContact O-CD 3.4Å; P70-R93 PolarHBondContact O-NH1 2.97Å
71	G	78.8	Confident	83.1	Confident	15 Å²	15	59.2 Å²	59.2	16%	0.155	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-18.7	165.8	0	0	0	0	0	114.1	C69 K89	C69-G71 PolarHBondContact O-N 3.43Å; G71-K89 WeakPolarHBondContact O-CB 3.41Å; G71-K89 WeakPolarHBondContact O-CD 3.38Å
72	C	84.1	Confident	82.8	Confident	43 Å²	43	64.9 Å²	64.9	29%	0.291	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142	-2.7	178.6	61.7	0	0	0	0	115.1	C69 V74	C69-C72 PolarHBondContact O-N 3.42Å; C72-V74 PolarHBondContact O-N 2.96Å
73	N	84.6	Confident	83	Confident	128 Å²	128	63 Å²	63	68%	0.684	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	22.2	179.5	-58.4	-0.2	0	0	0	115.2	C69	C69-N73 WeakPolarHBondContact O-CA 3.18Å; C69-N73 PolarHBondContact O-N 3.03Å
74	V	88.5	Confident	83.3	Confident	34 Å²	34	61.4 Å²	61.4	21%	0.206	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	128.4	170.2	163.4	0	0	0	0	110	S68 C69 C72 I76 V84	S68-V74 WeakPolarHBondContact CA-O 3.42Å; S68-V74 VanDerWaalsContact CB-O 3.28Å; S68-V74 WeakPolarHBondContact CB-O 3.46Å; C69-V74 PolarHBondContact N-O 3.33Å; C72-V74 PolarHBondContact O-N 2.96Å; V74-I76 HydrophobicContact CG1-CG2 3.91Å; V74-V84 HydrophobicContact CG1-CG1 4.26Å
75	T	90.2	Very high	83.9	Confident	30 Å²	30	56.6 Å²	56.6	18%	0.184	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	131	178	44.1	0	0	0	0	111.5	C54 S55 L67	C54-T75 WeakPolarHBondContact CA-O 3.39Å; S55-T75 PolarHBondContact N-O 2.84Å; S55-T75 PolarHBondContact OG-N 3.4Å; S55-T75 PolarHBondContact OG-O 3.12Å; S55-T75 VanDerWaalsContact OG-O 3.12Å; L67-T75 CarbonylContact O-C 3.52Å; L67-T75 WeakPolarHBondContact O-CA 3.42Å
76	I	90.8	Very high	84.2	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	160.8	-175.1	61.2	179	0	0	0	113.4	F43 C54 L67 V74 C80 V84	F43-I76 HydrophobicContact CD1-CD1 4.17Å; F43-I76 HydrophobicContact CD1-CG1 4.49Å; F43-I76 HydrophobicContact CE1-CD1 3.54Å; F43-I76 HydrophobicContact CE1-CG1 4.05Å; F43-I76 HydrophobicContact CE2-CD1 3.98Å; F43-I76 HydrophobicContact CZ-CD1 3.43Å; F43-I76 VanDerWaalsContact CZ-CD1 3.43Å; F43-I76 HydrophobicContact CZ-CG1 4.42Å; C54-I76 VanDerWaalsContact SG-CA 3.57Å; L67-I76 HydrophobicContact CB-CD1 4.49Å; L67-I76 HydrophobicContact CB-CG1 3.87Å; L67-I76 PolarHBondContact N-O 3.41Å; L67-I76 PolarHBondContact O-N 2.89Å; V74-I76 HydrophobicContact CG1-CG2 3.91Å; I76-C80 HydrophobicContact CB-CB 4.28Å; I76-V84 HydrophobicContact CD1-CG2 4.03Å; I76-V84 HydrophobicContact CG2-CG2 3.91Å
77	H	89.2	Confident	84	Confident	16 Å²	16	54.9 Å²	54.9	7%	0.074	31%	0.313	C	S	.	.			trans	-63.7	148.2	161.7	-51.3	111	0	0	0	110.3	C54 C57 S60 R79 C80	C54-H77 WeakPolarHBondContact CB-CE1 3.33Å; C54-H77 WeakPolarHBondContact CB-ND1 3.25Å; C54-H77 PolarHBondContact SG-N 2.72Å; C54-H77 VanDerWaalsContact SG-N 3.45Å; C54-H77 PolarHBondContact SG-ND1 3.11Å; C54-H77 VanDerWaalsContact SG-ND1 3.39Å; C57-H77 VanDerWaalsContact SG-CE1 3.55Å; S60-H77 PolarHBondContact O-NE2 3.47Å; H77-R79 HydrophobicContact CB-CG 4Å; H77-R79 PolarHBondContact O-N 3.43Å; H77-C80 HydrophobicContact CB-CB 4.45Å; H77-C80 PolarHBondContact O-N 3.11Å
78	N	84.3	Confident	83.3	Confident	112 Å²	112	57.7 Å²	57.7	60%	0.599	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-52.3	-41	176	-167.3	11.6	0	0	0	112.8	C80 R81	N78-C80 PolarHBondContact O-N 3.03Å; N78-R81 PolarHBondContact O-N 3.15Å
79	R	83.8	Confident	82.6	Confident	216 Å²	216	63.7 Å²	63.7	82%	0.815	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-69.3	-8.2	176.5	67	177.7	171.6	-161.2	-6	116.1	H77	H77-R79 HydrophobicContact CB-CG 4Å; H77-R79 PolarHBondContact O-N 3.43Å
80	C	85.1	Confident	82.2	Confident	12 Å²	12	64 Å²	64	8%	0.081	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-102.9	15.5	-179.7	-65.8	0	0	0	0	112.4	I76 H77 N78 D82 S83 V84	I76-C80 HydrophobicContact CB-CB 4.28Å; H77-C80 HydrophobicContact CB-CB 4.45Å; H77-C80 PolarHBondContact O-N 3.11Å; N78-C80 PolarHBondContact O-N 3.03Å; C80-D82 VanDerWaalsContact C-N 3.35Å; C80-D82 PolarHBondContact O-N 3.09Å; C80-S83 WeakPolarHBondContact CA-OG 3.44Å; C80-S83 PolarHBondContact O-N 3.34Å; C80-S83 PolarHBondContact O-OG 3.02Å; C80-S83 VanDerWaalsContact O-OG 3.08Å; C80-V84 WeakPolarHBondContact O-CG2 3.4Å
81	R	82.9	Confident	81.7	Confident	52 Å²	52	67 Å²	67	20%	0.196	37%	0.371	C	S	.	.	S	Bend	trans	-54.6	-46.3	-175.8	-173.5	-168.8	-164.5	108	11.1	113.5	R36 F43 N78	R36-R81 PolarHBondContact O-NH2 2.96Å; F43-R81 HydrophobicContact CD2-CG 4.05Å; F43-R81 HydrophobicContact CE2-CG 4.12Å; N78-R81 PolarHBondContact O-N 3.15Å
82	D	79.4	Confident	81.2	Confident	118 Å²	118	73.1 Å²	73.1	63%	0.631	40%	0.396	S	S	*	.	S	Bend	trans	-96.1	-8.8	-169.1	-52	-65.6	0	0	0	112.5	C80 V84	C80-D82 VanDerWaalsContact C-N 3.35Å; C80-D82 PolarHBondContact O-N 3.09Å; D82-V84 VanDerWaalsContact C-N 3.27Å; D82-V84 PolarHBondContact O-N 3.4Å
83	S	77.6	Confident	80.5	Confident	75 Å²	75	77.2 Å²	77.2	52%	0.524	41%	0.405	S	S	.	.	S	Bend	trans	-89	25.5	172.4	57.3	0	0	0	0	113.3	S56 C80	S56-S83 WeakPolarHBondContact OG-CB 3.32Å; S56-S83 PolarHBondContact OG-O 3.07Å; S56-S83 PolarHBondContact OG-OG 3.26Å; C80-S83 WeakPolarHBondContact CA-OG 3.44Å; C80-S83 PolarHBondContact O-N 3.34Å; C80-S83 PolarHBondContact O-OG 3.02Å; C80-S83 VanDerWaalsContact O-OG 3.08Å
84	V	76.6	Confident	79.6	Confident	21 Å²	21	73.6 Å²	73.6	13%	0.127	38%	0.384	C	S	.	.	S	Bend	trans	-122.2	126.5	180	179.2	0	0	0	0	110.9	H41 V74 I76 C80 D82	H41-V84 WeakPolarHBondContact NE2-CG1 3.29Å; V74-V84 HydrophobicContact CG1-CG1 4.26Å; I76-V84 HydrophobicContact CD1-CG2 4.03Å; I76-V84 HydrophobicContact CG2-CG2 3.91Å; C80-V84 WeakPolarHBondContact O-CG2 3.4Å; D82-V84 VanDerWaalsContact C-N 3.27Å; D82-V84 PolarHBondContact O-N 3.4Å
85	A	77.9	Confident	78.5	Confident	91 Å²	91	78 Å²	78	75%	0.752	40%	0.403	S	S	*	.			trans	-58.1	144	176.8	0	0	0	0	0	112.7	H41	H41-A85 PolarHBondContact NE2-O 2.79Å
86	S	80.8	Confident	77.2	Confident	87 Å²	87	84.1 Å²	84.1	61%	0.608	43%	0.427	S	S	*	.			trans	-65.4	144.7	-163.6	75.3	0	0	0	0	115.4	S39 A88	S39-S86 WeakPolarHBondContact O-CA 3.49Å; S39-S86 VanDerWaalsContact O-CB 3.22Å; S39-S86 WeakPolarHBondContact O-CB 3.22Å; S86-A88 PolarHBondContact O-N 2.99Å
87	C	82.8	Confident	75.6	Confident	7 Å²	7	88.7 Å²	88.7	5%	0.047	45%	0.45	C	S	.	.			trans	-87.6	94.5	-173.9	-163.1	0	0	0	0	113.9	S39 H41 K89 M90 K91	S39-C87 PolarHBondContact O-N 3.08Å; H41-C87 HydrophobicContact CB-CB 4.38Å; C87-K89 VanDerWaalsContact C-N 3.3Å; C87-K89 PolarHBondContact O-N 3.04Å; C87-M90 HydrophobicContact CB-CB 3.94Å; C87-M90 PolarHBondContact O-N 3.29Å; C87-M90 VanDerWaalsContact SG-CB 3.53Å; C87-M90 PolarHBondContact SG-N 2.7Å; C87-K91 VanDerWaalsContact O-CB 3.27Å; C87-K91 WeakPolarHBondContact O-CB 3.33Å; C87-K91 PolarHBondContact O-N 3.14Å
88	A	75.8	Confident	73.8	Confident	76 Å²	76	92 Å²	92	63%	0.628	47%	0.472	S	S	*	.	H	α-helix	trans	-55.2	-43.8	173.4	0	0	0	0	0	112.8	S86 Q92	S86-A88 PolarHBondContact O-N 2.99Å; A88-Q92 WeakPolarHBondContact O-CB 3.49Å; A88-Q92 PolarHBondContact O-N 2.97Å; A88-Q92 VanDerWaalsContact O-N 3.07Å
89	K	73	Confident	72.1	Confident	148 Å²	148	93 Å²	93	64%	0.643	48%	0.477	S	S	*	.	H	α-helix	trans	-63.8	-45	-179.3	-67.4	-176.8	-179.7	178.3	0	112.6	G71 C87 R93	G71-K89 WeakPolarHBondContact O-CB 3.41Å; G71-K89 WeakPolarHBondContact O-CD 3.38Å; C87-K89 VanDerWaalsContact C-N 3.3Å; C87-K89 PolarHBondContact O-N 3.04Å; K89-R93 WeakPolarHBondContact O-CB 3.44Å; K89-R93 PolarHBondContact O-N 3.4Å
90	M	79.2	Confident	70.4	Confident	6 Å²	6	87.2 Å²	87.2	3%	0.03	47%	0.465	C	S	.	.	H	α-helix	trans	-74.8	-36.4	-179.9	-165.8	64.7	-156.5	0	0	112	L42 C87 Q92 R93 Q94	L42-M90 HydrophobicContact CB-CE 3.8Å; L42-M90 HydrophobicContact CB-CG 3.93Å; L42-M90 HydrophobicContact CB-SD 4.36Å; L42-M90 HydrophobicContact CD2-CE 3.73Å; L42-M90 HydrophobicContact CG-CE 4.42Å; C87-M90 HydrophobicContact CB-CB 3.94Å; C87-M90 PolarHBondContact O-N 3.29Å; C87-M90 VanDerWaalsContact SG-CB 3.53Å; C87-M90 PolarHBondContact SG-N 2.7Å; M90-Q92 VanDerWaalsContact C-N 3.32Å; M90-Q92 PolarHBondContact O-N 3.45Å; M90-R93 CarbonylContact O-C 3.58Å; M90-R93 PolarHBondContact O-N 2.74Å; M90-R93 VanDerWaalsContact O-N 3.12Å; M90-R93 HydrophobicContact SD-CB 4.2Å; M90-R93 HydrophobicContact SD-CG 4.46Å; M90-Q94 HydrophobicContact CE-CG 3.92Å; M90-Q94 HydrophobicContact CG-CG 4.43Å; M90-Q94 WeakPolarHBondContact O-CB 3.5Å; M90-Q94 WeakPolarHBondContact O-CG 3.41Å; M90-Q94 PolarHBondContact O-N 2.82Å
91	K	71.1	Confident	68.2	Low	120 Å²	120	95.9 Å²	95.9	52%	0.522	50%	0.496	S	S	.	.	H	α-helix	trans	-58.2	-43.2	173.4	-165.7	168	-174.7	171.6	0	111.6	C87 Q94 Q95	C87-K91 VanDerWaalsContact O-CB 3.27Å; C87-K91 WeakPolarHBondContact O-CB 3.33Å; C87-K91 PolarHBondContact O-N 3.14Å; K91-Q94 PolarHBondContact O-N 2.87Å; K91-Q95 WeakPolarHBondContact O-CG 3.25Å; K91-Q95 PolarHBondContact O-N 2.87Å; K91-Q95 VanDerWaalsContact O-N 3.1Å
92	Q	68.1	Low	66.1	Low	143 Å²	143	99.2 Å²	99.2	67%	0.668	52%	0.518	S	S	*	.	H	α-helix	trans	-68.8	-36.8	174.1	-162.1	178.2	35.5	0	0	112.8	A88 M90 K96	A88-Q92 WeakPolarHBondContact O-CB 3.49Å; A88-Q92 PolarHBondContact O-N 2.97Å; A88-Q92 VanDerWaalsContact O-N 3.07Å; M90-Q92 VanDerWaalsContact C-N 3.32Å; M90-Q92 PolarHBondContact O-N 3.45Å; Q92-K96 PolarHBondContact O-N 2.88Å; Q92-K96 VanDerWaalsContact O-N 3.12Å
93	R	69.6	Low	64.1	Low	129 Å²	129	99 Å²	99	49%	0.487	52%	0.517	S	S	.	.	H	α-helix	trans	-67.8	-38.2	175	-168.8	176.8	-178	-179.9	1.5	112.3	P70 K89 M90 K96 L97	P70-R93 PolarHBondContact O-NH1 2.97Å; K89-R93 WeakPolarHBondContact O-CB 3.44Å; K89-R93 PolarHBondContact O-N 3.4Å; M90-R93 CarbonylContact O-C 3.58Å; M90-R93 PolarHBondContact O-N 2.74Å; M90-R93 VanDerWaalsContact O-N 3.12Å; M90-R93 HydrophobicContact SD-CB 4.2Å; M90-R93 HydrophobicContact SD-CG 4.46Å; R93-K96 PolarHBondContact O-N 2.99Å; R93-L97 HydrophobicContact CG-CD1 4.18Å; R93-L97 WeakPolarHBondContact O-CB 3.13Å; R93-L97 WeakPolarHBondContact O-CG 3.21Å; R93-L97 PolarHBondContact O-N 2.99Å
94	Q	66.3	Low	62.1	Low	53 Å²	53	100 Å²	100	25%	0.248	52%	0.524	C	S	.	.	H	α-helix	trans	-63.4	-49.3	173.8	-77.8	177.8	-20.9	0	0	111.1	M90 K91 K96 L97 T98	M90-Q94 HydrophobicContact CE-CG 3.92Å; M90-Q94 HydrophobicContact CG-CG 4.43Å; M90-Q94 WeakPolarHBondContact O-CB 3.5Å; M90-Q94 WeakPolarHBondContact O-CG 3.41Å; M90-Q94 PolarHBondContact O-N 2.82Å; K91-Q94 PolarHBondContact O-N 2.87Å; Q94-K96 PolarHBondContact O-N 3.33Å; Q94-L97 PolarHBondContact O-N 3.42Å; Q94-T98 PolarHBondContact O-N 3.14Å; Q94-T98 PolarHBondContact O-OG1 3.04Å
95	Q	63.8	Low	60.2	Low	126 Å²	126	103.1 Å²	103.1	59%	0.589	55%	0.552	S	S	*	*	H	α-helix	trans	-55.2	-38	174.4	-75.5	177.2	-27.4	0	0	112.5	K91 T98 L99	K91-Q95 WeakPolarHBondContact O-CG 3.25Å; K91-Q95 PolarHBondContact O-N 2.87Å; K91-Q95 VanDerWaalsContact O-N 3.1Å; Q95-T98 PolarHBondContact O-OG1 2.95Å; Q95-L99 PolarHBondContact O-N 3.08Å
96	K	62.4	Low	58.3	Low	159 Å²	159	105.8 Å²	105.8	69%	0.691	55%	0.553	S	S	*	*	H	α-helix	trans	-71.8	-32.6	175.8	-162	176.3	-176.4	-177.1	0	112.9	Q92 R93 Q94 L99 V100	Q92-K96 PolarHBondContact O-N 2.88Å; Q92-K96 VanDerWaalsContact O-N 3.12Å; R93-K96 PolarHBondContact O-N 2.99Å; Q94-K96 PolarHBondContact O-N 3.33Å; K96-L99 WeakPolarHBondContact O-CB 3.34Å; K96-V100 WeakPolarHBondContact O-CG2 3.35Å; K96-V100 PolarHBondContact O-N 3.08Å
97	L	57.4	Low	56	Low	95 Å²	95	110.2 Å²	110.2	50%	0.497	56%	0.564	S	S	.	*	H	α-helix	trans	-78.2	-35.5	178.7	-75.6	167.5	0	0	0	113.2	R93 Q94 L99 V100 R101	R93-L97 HydrophobicContact CG-CD1 4.18Å; R93-L97 WeakPolarHBondContact O-CB 3.13Å; R93-L97 WeakPolarHBondContact O-CG 3.21Å; R93-L97 PolarHBondContact O-N 2.99Å; Q94-L97 PolarHBondContact O-N 3.42Å; L97-L99 VanDerWaalsContact C-N 3.27Å; L97-L99 PolarHBondContact O-N 2.87Å; L97-V100 PolarHBondContact O-N 3.03Å; L97-V100 VanDerWaalsContact O-N 3.16Å; L97-R101 PolarHBondContact O-N 2.86Å
98	T	51.9	Low	53.5	Low	86 Å²	86	118.1 Å²	118.1	53%	0.528	61%	0.605	S	S	.	*	H	α-helix	trans	-63.5	-36.1	170.9	46.8	0	0	0	0	111.4	Q94 Q95 V100 R101 N102	Q94-T98 PolarHBondContact O-N 3.14Å; Q94-T98 PolarHBondContact O-OG1 3.04Å; Q95-T98 PolarHBondContact O-OG1 2.95Å; T98-V100 VanDerWaalsContact C-N 3.27Å; T98-V100 PolarHBondContact O-N 3.26Å; T98-R101 PolarHBondContact O-N 3.22Å; T98-N102 PolarHBondContact O-N 3.14Å
99	L	49	Very low	51.3	Low	133 Å²	133	120.3 Å²	120.3	70%	0.696	61%	0.611	S	S	*	*	H	α-helix	trans	-59.8	-34.9	172.2	-135.9	75.4	0	0	0	113.1	Q95 K96 L97	Q95-L99 PolarHBondContact O-N 3.08Å; K96-L99 WeakPolarHBondContact O-CB 3.34Å; L97-L99 VanDerWaalsContact C-N 3.27Å; L97-L99 PolarHBondContact O-N 2.87Å
100	V	47.8	Very low	49.2	Very low	95 Å²	95	118 Å²	118	58%	0.576	62%	0.62	S	S	*	*	H	α-helix	trans	-80.7	-39.3	178.2	174.6	0	0	0	0	111.8	K96 L97 T98 N102 N103	K96-V100 WeakPolarHBondContact O-CG2 3.35Å; K96-V100 PolarHBondContact O-N 3.08Å; L97-V100 PolarHBondContact O-N 3.03Å; L97-V100 VanDerWaalsContact O-N 3.16Å; T98-V100 VanDerWaalsContact C-N 3.27Å; T98-V100 PolarHBondContact O-N 3.26Å; V100-N102 VanDerWaalsContact C-N 3.26Å; V100-N102 PolarHBondContact O-N 3.18Å; V100-N103 WeakPolarHBondContact O-CB 3.25Å; V100-N103 PolarHBondContact O-N 3.35Å
101	R	40	Very low	46.8	Very low	193 Å²	193	125.4 Å²	125.4	73%	0.728	66%	0.658	S	S	*	*	H	α-helix	trans	-65	-30.4	-179.6	-161.3	171.3	-171.3	157.3	3.3	112.5	L97 T98 N103 S104	L97-R101 PolarHBondContact O-N 2.86Å; T98-R101 PolarHBondContact O-N 3.22Å; R101-N103 PolarHBondContact O-N 3.49Å; R101-N103 VanDerWaalsContact O-N 3.15Å; R101-S104 PolarHBondContact O-N 2.65Å; R101-S104 PolarHBondContact O-OG 3.34Å
102	N	37.2	Very low	44.8	Very low	123 Å²	123	131.7 Å²	131.7	66%	0.658	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	0.7	172.2	-71	0.1	0	0	0	114.1	T98 V100 K150	T98-N102 PolarHBondContact O-N 3.14Å; V100-N102 VanDerWaalsContact C-N 3.26Å; V100-N102 PolarHBondContact O-N 3.18Å; N102-K150 PolarHBondContact O-NZ 3.07Å
103	N	37.7	Very low	42.9	Very low	112 Å²	112	131.2 Å²	131.2	60%	0.599	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.1	-18.1	171.6	-100.1	0.2	0	0	0	114.7	V100 R101 A105 K150	V100-N103 WeakPolarHBondContact O-CB 3.25Å; V100-N103 PolarHBondContact O-N 3.35Å; R101-N103 PolarHBondContact O-N 3.49Å; R101-N103 VanDerWaalsContact O-N 3.15Å; N103-A105 PolarHBondContact O-N 3.45Å; N103-K150 PolarHBondContact OD1-NZ 2.84Å
104	S	36.3	Very low	41	Very low	97 Å²	97	134.8 Å²	134.8	68%	0.678	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	21.2	-173	70.1	0	0	0	0	115.1	R101	R101-S104 PolarHBondContact O-N 2.65Å; R101-S104 PolarHBondContact O-OG 3.34Å
105	A	35.8	Very low	39.2	Very low	86 Å²	86	138.2 Å²	138.2	71%	0.711	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.7	3.8	-178.3	0	0	0	0	0	114.2	N103	N103-A105 PolarHBondContact O-N 3.45Å
106	L	38.9	Very low	37.6	Very low	148 Å²	148	137.7 Å²	137.7	78%	0.775	74%	0.737	S	S	*	*			trans	-138.8	78.7	179.4	-72.6	175.5	0	0	0	110.7
107	Q	31.4	Very low	35.9	Very low	180 Å²	180	137.8 Å²	137.8	84%	0.841	74%	0.742	S	S	*	*			trans	-155.6	92.9	165.8	-119.9	173.3	8.1	0	0	111.1
108	N	30.1	Very low	34.5	Very low	172 Å²	172	141.7 Å²	141.7	92%	0.92	76%	0.76	S	S	*	*			trans	-120.3	54.7	167.7	-94.6	-8.7	0	0	0	110
109	V	29.9	Very low	33.4	Very low	123 Å²	123	147 Å²	147	75%	0.745	78%	0.775	S	S	*	*			trans	-135.9	121.7	161.2	-179.5	0	0	0	0	106.8
110	A	28.7	Very low	32.3	Very low	100 Å²	100	147.8 Å²	147.8	83%	0.826	78%	0.776	S	S	*	*			trans	-81.5	128.8	-179.9	0	0	0	0	0	110.9
111	L	29.5	Very low	31.4	Very low	161 Å²	161	152.9 Å²	152.9	84%	0.843	79%	0.785	S	S	*	*			trans	-113.5	127.9	165.5	-69.8	176.6	0	0	0	109	T113	L111-T113 PolarHBondContact O-N 2.83Å
112	R	29.8	Very low	31.4	Very low	251 Å²	251	148.4 Å²	148.4	95%	0.947	78%	0.78	S	S	*	*			trans	-65	114.5	179.5	-78	176.3	166	148.5	-6.1	110.6	K114	R112-K114 PolarHBondContact O-N 2.75Å
113	T	28.4	Very low	30.9	Very low	134 Å²	134	147.8 Å²	147.8	82%	0.822	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-69.6	121.6	163.9	29.2	0	0	0	0	110.3	L111	L111-T113 PolarHBondContact O-N 2.83Å
114	K	28.4	Very low	30.4	Very low	204 Å²	204	147.4 Å²	147.4	89%	0.887	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-91.1	126.3	158.3	-77.7	-170.9	173.5	-173.8	0	108.5	R112	R112-K114 PolarHBondContact O-N 2.75Å
115	T	28.6	Very low	29.8	Very low	124 Å²	124	146.6 Å²	146.6	76%	0.761	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-82.8	130.9	176.7	43.8	0	0	0	0	111.5
116	P	30.8	Very low	29.4	Very low	115 Å²	115	150.4 Å²	150.4	75%	0.747	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-81.7	126	160.2	32	-29.3	0	0	0	109.8
117	M	26.7	Very low	28.7	Very low	162 Å²	162	153.8 Å²	153.8	80%	0.798	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-78.3	141.1	165.9	-71	174.5	66.5	0	0	110.1
118	M	27.2	Very low	28.8	Very low	176 Å²	176	150.5 Å²	150.5	87%	0.867	80%	0.796	S	S	*	*			trans	-132.9	134.4	164.7	-56.2	-106.5	91.1	0	0	106.9
119	K	28.5	Very low	28.6	Very low	197 Å²	197	146.9 Å²	146.9	86%	0.857	78%	0.784	S	S	*	*			trans	-88.6	156.7	179.7	-78.6	-175.5	171.4	-177.1	0	111.9
120	E	27.2	Very low	28.4	Very low	151 Å²	151	147 Å²	147	71%	0.706	78%	0.78	S	S	*	*			trans	-52.9	165.8	155.3	-76.1	-166.4	96.2	0	0	112.2
121	R	27.8	Very low	28.3	Very low	202 Å²	202	147.4 Å²	147.4	76%	0.762	77%	0.773	S	S	*	*			cis	-165.9	-160	10.1	-128.3	175.9	149.5	122.9	-18.7	106.5
122	P	40.6	Very low	28.2	Very low	98 Å²	98	146.7 Å²	146.7	64%	0.636	77%	0.769	S	S	*	*			cis	-124.6	-178.2	-48.8	37.9	-23.6	0	0	0	112.7
123	S	26.4	Very low	28.1	Very low	110 Å²	110	144.5 Å²	144.5	77%	0.769	76%	0.761	S	S	*	*			trans	67.1	153.9	150.5	-78.4	0	0	0	0	119.9
124	S	26.6	Very low	28.1	Very low	104 Å²	104	145.9 Å²	145.9	73%	0.727	76%	0.758	S	S	*	*			cis	-167.8	165.6	-13.5	45.6	0	0	0	0	112
125	A	25.5	Very low	28.1	Very low	81 Å²	81	141 Å²	141	67%	0.669	75%	0.75	S	S	*	*			trans	83.8	132.8	143.9	0	0	0	0	0	122
126	I	26.2	Very low	28	Very low	166 Å²	166	142.1 Å²	142.1	85%	0.851	75%	0.75	S	S	*	*			trans	79.5	116.7	140.9	-66.6	163.3	0	0	0	120.2
127	Y	23.6	Very low	28.1	Very low	219 Å²	219	145 Å²	145	86%	0.859	76%	0.758	S	S	*	*			trans	-90.3	172.5	158.9	-81.6	-89	0	0	0	110.4
128	P	34.1	Very low	27.9	Very low	111 Å²	111	141 Å²	141	72%	0.721	76%	0.759	S	S	*	*			cis	-119.2	-125.9	1.7	28.6	-3.8	0	0	0	110.3
129	S	26.3	Very low	27.8	Very low	95 Å²	95	138.9 Å²	138.9	66%	0.664	76%	0.761	S	S	*	*			cis	-169.4	164.4	-8.7	-116.1	0	0	0	0	106.9
130	D	25.9	Very low	27.8	Very low	125 Å²	125	140.2 Å²	140.2	67%	0.668	76%	0.761	S	S	*	*			cis	-165.5	179.1	-23.3	-128.9	-71.2	0	0	0	113.2
131	T	27.1	Very low	27.9	Very low	110 Å²	110	144.3 Å²	144.3	68%	0.675	77%	0.77	S	S	*	*			trans	56.2	126.4	155.4	48.3	0	0	0	0	122.9
132	L	26.6	Very low	27.7	Very low	146 Å²	146	140.6 Å²	140.6	76%	0.764	77%	0.769	S	S	*	*			trans	77.4	109.6	136	-68.2	168.6	0	0	0	123.2
133	R	27.8	Very low	27.1	Very low	204 Å²	204	147.8 Å²	147.8	77%	0.77	78%	0.784	S	S	*	*			trans	67.4	120.4	131.2	-78.4	-174.6	173.7	-171.4	-0.7	122.4
134	Q	28.1	Very low	27.2	Very low	163 Å²	163	147.8 Å²	147.8	76%	0.762	78%	0.784	S	S	*	*				63.8	137.9	128.5	-69.7	171.3	-46.3	0	0	118.7
135	S	28.8	Very low	27.1	Very low	101 Å²	101	146.6 Å²	146.6	71%	0.706	79%	0.788	S	S	*	*			cis	-159	-173	8.8	-163.5	0	0	0	0	112
136	L	25.8	Very low	27.2	Very low	149 Å²	149	151.1 Å²	151.1	78%	0.78	80%	0.8	S	S	*	*			trans	77.9	104.9	163.4	-55.3	178.8	0	0	0	120.1
137	L	32.9	Very low	27.2	Very low	174 Å²	174	149.6 Å²	149.6	91%	0.911	80%	0.798	S	S	*	*			trans	49.3	107.3	138.4	-54.9	177.9	0	0	0	120.1
138	G	23.3	Very low	27.5	Very low	78 Å²	78	146.2 Å²	146.2	80%	0.804	79%	0.794	S	S	*	*			trans	-161.8	76	176.5	0	0	0	0	0	118.5
139	S	25.1	Very low	27.2	Very low	132 Å²	132	145 Å²	145	92%	0.923	79%	0.793	S	S	*	*			trans	66.7	177	155.2	-153.2	0	0	0	0	120.4
140	R	29	Very low	27.5	Very low	226 Å²	226	145.9 Å²	145.9	85%	0.853	79%	0.785	S	S	*	*			trans	-111.7	153.7	-160.4	-52.5	172.5	-178.8	-176.5	-0.7	113.1
141	R	28.7	Very low	27.6	Very low	237 Å²	237	144.2 Å²	144.2	89%	0.894	78%	0.784	S	S	*	*			trans	-157	115.7	135.2	-124.4	173.4	-82.6	-161.4	-0.6	115.1
142	V	23.8	Very low	27.7	Very low	123 Å²	123	145.3 Å²	145.3	75%	0.745	79%	0.79	S	S	*	*			trans	46.3	122.8	137.3	-179.3	0	0	0	0	120.1
143	R	26.9	Very low	27.7	Very low	249 Å²	249	143.5 Å²	143.5	94%	0.94	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-98.9	135.5	149.4	-82.8	-173.1	172.5	-169.3	-0	109.7
144	S	28.5	Very low	27.8	Very low	111 Å²	111	139.4 Å²	139.4	78%	0.776	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-78.4	158.6	172.8	-56.2	0	0	0	0	112.2
145	G	25.1	Very low	27.9	Very low	78 Å²	78	138.5 Å²	138.5	80%	0.804	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-69.4	162.7	-169.1	0	0	0	0	0	116
146	L	26.9	Very low	27.9	Very low	177 Å²	177	141.1 Å²	141.1	93%	0.927	79%	0.794	S	S	*	*			trans	-104.3	130.4	167.9	-68.5	171.5	0	0	0	109
147	T	26.5	Very low	28.2	Very low	133 Å²	133	141.2 Å²	141.2	82%	0.816	79%	0.793	S	S	*	*			trans	-106.4	134.2	165.2	43.6	0	0	0	0	108.4
148	L	29.9	Very low	27.9	Very low	149 Å²	149	137.8 Å²	137.8	78%	0.78	79%	0.79	S	S	*	*			trans	-135.2	127.2	176.7	-163.8	70	0	0	0	110.5
149	A	28.7	Very low	28.1	Very low	84 Å²	84	138 Å²	138	69%	0.694	79%	0.792	S	S	*	*			trans	-154.4	112.2	165.2	0	0	0	0	0	107.2
150	K	31.6	Very low	28.2	Very low	115 Å²	115	134.9 Å²	134.9	50%	0.5	78%	0.781	S	S	.	*			trans	-166.7	102.3	168.3	-114	168	-176.4	175.4	0	109	N102 N103	N102-K150 PolarHBondContact O-NZ 3.07Å; N103-K150 PolarHBondContact OD1-NZ 2.84Å
151	S	29.1	Very low	28.2	Very low	90 Å²	90	130.8 Å²	130.8	63%	0.629	78%	0.781	S	S	*	*			trans	-71.3	156.6	166.2	39.4	0	0	0	0	110.4
152	V	28.2	Very low	28.3	Very low	133 Å²	133	128.5 Å²	128.5	81%	0.806	78%	0.781	S	S	*	*			trans	-106.9	126.1	178.3	179.5	0	0	0	0	108.9
153	S	26.7	Very low	28.7	Very low	108 Å²	108	131.4 Å²	131.4	76%	0.755	79%	0.786	S	S	*	*			trans	-81.9	136.8	173.4	-179	0	0	0	0	110.5
154	T	30.4	Very low	28.7	Very low	118 Å²	118	124.3 Å²	124.3	72%	0.724	78%	0.775	S	S	*	*			trans	-99.3	94.1	-179.3	50.7	0	0	0	0	111.3
155	N	29.9	Very low	29	Very low	144 Å²	144	125.5 Å²	125.5	77%	0.77	78%	0.777	S	S	*	*			trans	-142.3	153.2	162.6	-101.5	-28.4	0	0	0	109.2
156	N	29.4	Very low	29.3	Very low	156 Å²	156	124 Å²	124	83%	0.834	76%	0.761	S	S	*	*			trans	83.8	80.2	-179.6	-49.4	-16.2	0	0	0	117.4
157	I	31.8	Very low	29.5	Very low	151 Å²	151	121.9 Å²	121.9	77%	0.774	75%	0.75	S	S	*	*			trans	-140.1	120.3	139	-56.7	-177.6	0	0	0	108.4
158	A	26.3	Very low	30	Very low	101 Å²	101	124 Å²	124	84%	0.835	74%	0.743	S	S	*	*			trans	-157.3	121.7	166.1	0	0	0	0	0	110.1
159	G	27.7	Very low	30.4	Very low	83 Å²	83	125.7 Å²	125.7	86%	0.856	74%	0.739	S	S	*	*			trans	77.4	141.6	-176.2	0	0	0	0	0	114.4
160	G	27.4	Very low	30.6	Very low	66 Å²	66	126.6 Å²	126.6	68%	0.68	73%	0.731	S	S	*	*			cis	-177.9	162.3	-7.2	0	0	0	0	0	113
161	T	29.6	Very low	30.8	Very low	140 Å²	140	125.9 Å²	125.9	86%	0.859	73%	0.732	S	S	*	*			trans	58.9	106.5	168.8	39.7	0	0	0	0	120.3
162	E	30.3	Very low	31.2	Very low	190 Å²	190	122 Å²	122	89%	0.888	71%	0.705	S	S	*	*			trans	64.6	155.9	140.4	-58.3	-152.9	123.4	0	0	124.2
163	E	31.8	Very low	31.4	Very low	183 Å²	183	121.2 Å²	121.2	86%	0.855	69%	0.693	S	S	*	*			trans	3.3	99.2	-177.4	-57.6	-146.8	119.5	0	0	121.2
164	S	27.2	Very low	32	Very low	101 Å²	101	118.7 Å²	118.7	71%	0.706	68%	0.675	S	S	*	*				-160.1	135.1	129.4	-91.8	0	0	0	0	113.1	G166	S164-G166 PolarHBondContact O-N 2.88Å
165	V	34.9	Very low	32.5	Very low	136 Å²	136	115.2 Å²	115.2	82%	0.824	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-69.2	-7.2	-170.4	-164.7	0	0	0	0	113.6
166	G	31.7	Very low	32.9	Very low	45 Å²	45	111.6 Å²	111.6	46%	0.464	63%	0.632	S	S	.	*	G	3₁₀ helix	trans	-74.8	-22.8	-174.5	0	0	0	0	0	116.7	S164 R168 R169	S164-G166 PolarHBondContact O-N 2.88Å; G166-R168 VanDerWaalsContact C-N 3.31Å; G166-R168 PolarHBondContact O-N 2.78Å; G166-R169 PolarHBondContact O-N 3.06Å
167	L	30	Very low	33.2	Very low	134 Å²	134	109.1 Å²	109.1	70%	0.702	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-70.7	-18.1	-169	-76.6	170.7	0	0	0	115.2	R169 I170	L167-R169 PolarHBondContact O-N 3.22Å; L167-R169 VanDerWaalsContact O-N 3.12Å; L167-I170 HydrophobicContact CD2-CD1 4.18Å
168	R	37.8	Very low	33.6	Very low	177 Å²	177	103.7 Å²	103.7	67%	0.668	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-65.2	-12.2	177.7	-82.2	-161.4	-90.6	175.2	-4.6	114.5	G166	G166-R168 VanDerWaalsContact C-N 3.31Å; G166-R168 PolarHBondContact O-N 2.78Å
169	R	37.9	Very low	33.9	Very low	184 Å²	184	102.5 Å²	102.5	69%	0.694	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-99.4	14.5	-173.2	-156.3	178.8	-74.9	130.2	-4.8	115.2	G166 L167 Q173	G166-R169 PolarHBondContact O-N 3.06Å; L167-R169 PolarHBondContact O-N 3.22Å; L167-R169 VanDerWaalsContact O-N 3.12Å; R169-Q173 PolarHBondContact O-NE2 2.8Å
170	I	34	Very low	34.1	Very low	104 Å²	104	106.7 Å²	106.7	53%	0.533	57%	0.574	S	S	.	*	S	Bend	trans	-109.5	-36.3	-172.1	-59.2	-175.9	0	0	0	113.6	L167	L167-I170 HydrophobicContact CD2-CD1 4.18Å
171	L	35.3	Very low	34.3	Very low	100 Å²	100	115 Å²	115	52%	0.524	59%	0.585	S	S	.	*	S	Bend	trans	-77.1	-28	-175.6	-65.1	177.4	0	0	0	114.2	Q173	L171-Q173 VanDerWaalsContact C-N 3.29Å; L171-Q173 PolarHBondContact O-N 3.34Å
172	S	36.3	Very low	34.5	Very low	8 Å²	8	114.3 Å²	114.3	6%	0.056	58%	0.576	C	S	.	*	G	3₁₀ helix	trans	-72.5	-19.8	-177.5	-162.4	0	0	0	0	113.6	S174 T175 E176	S172-S174 PolarHBondContact O-N 2.7Å; S172-T175 PolarHBondContact O-N 3.25Å; S172-E176 VanDerWaalsContact CB-CD 3.4Å; S172-E176 WeakPolarHBondContact CB-OE1 3.34Å; S172-E176 WeakPolarHBondContact O-CB 3.42Å; S172-E176 PolarHBondContact O-N 2.84Å; S172-E176 VanDerWaalsContact OG-CB 3.27Å; S172-E176 WeakPolarHBondContact OG-CB 3.26Å; S172-E176 PolarHBondContact OG-OE1 3.47Å
173	Q	34.1	Very low	34.7	Very low	116 Å²	116	116.4 Å²	116.4	54%	0.542	58%	0.576	S	S	.	*	G	3₁₀ helix	trans	-61.6	-9.3	-172.4	-65	-175.7	27.5	0	0	115.7	R169 L171 T175	R169-Q173 PolarHBondContact O-NE2 2.8Å; L171-Q173 VanDerWaalsContact C-N 3.29Å; L171-Q173 PolarHBondContact O-N 3.34Å; Q173-T175 PolarHBondContact O-N 2.86Å
174	S	38.8	Very low	34.8	Very low	55 Å²	55	113.8 Å²	113.8	39%	0.385	57%	0.572	S	S	.	*	G	3₁₀ helix	trans	-79.5	-2.8	171.5	70.2	0	0	0	0	114.7	S172 K393	S172-S174 PolarHBondContact O-N 2.7Å; S174-K393 PolarHBondContact OG-NZ 3.16Å
175	T	41.2	Very low	35	Very low	45 Å²	45	117.1 Å²	117.1	28%	0.276	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-137	-22	163.5	39.5	0	0	0	0	113.5	S172 Q173 S177 L178	S172-T175 PolarHBondContact O-N 3.25Å; Q173-T175 PolarHBondContact O-N 2.86Å; T175-S177 PolarHBondContact O-N 2.77Å; T175-L178 WeakPolarHBondContact O-CD1 3.48Å; T175-L178 WeakPolarHBondContact O-CG 3.47Å
176	E	37.2	Very low	35.3	Very low	69 Å²	69	116.2 Å²	116.2	32%	0.322	58%	0.581	S	S	.	*			trans	-91.5	46.6	-167.8	-165.2	-163.8	-98	0	0	115	S172 L178	S172-E176 VanDerWaalsContact CB-CD 3.4Å; S172-E176 WeakPolarHBondContact CB-OE1 3.34Å; S172-E176 WeakPolarHBondContact O-CB 3.42Å; S172-E176 PolarHBondContact O-N 2.84Å; S172-E176 VanDerWaalsContact OG-CB 3.27Å; S172-E176 WeakPolarHBondContact OG-CB 3.26Å; S172-E176 PolarHBondContact OG-OE1 3.47Å; E176-L178 VanDerWaalsContact C-N 3.26Å
177	S	36.8	Very low	35.6	Very low	104 Å²	104	122.9 Å²	122.9	73%	0.727	60%	0.602	S	S	*	*			trans	-90.8	19.5	169.8	-67.1	0	0	0	0	113.2	T175	T175-S177 PolarHBondContact O-N 2.77Å
178	L	38.8	Very low	36.3	Very low	36 Å²	36	125.2 Å²	125.2	19%	0.188	61%	0.609	C	S	.	*			trans	-125.7	6.6	-140.8	-65.4	-170.1	0	0	0	116.9	T175 E176 R376	T175-L178 WeakPolarHBondContact O-CD1 3.48Å; T175-L178 WeakPolarHBondContact O-CG 3.47Å; E176-L178 VanDerWaalsContact C-N 3.26Å; L178-R376 HydrophobicContact CD2-CB 4.07Å; L178-R376 HydrophobicContact CD2-CG 4.08Å; L178-R376 PolarHBondContact O-NH2 3.25Å
179	N	34.1	Very low	36.5	Very low	77 Å²	77	121.5 Å²	121.5	41%	0.412	61%	0.611	S	S	.	*			trans	-81.6	138.4	-178.1	-59.1	2.8	0	0	0	111.1	D215	N179-D215 PolarHBondContact ND2-OD1 3.11Å; N179-D215 PolarHBondContact ND2-OD2 2.86Å
180	F	31.1	Very low	36.6	Very low	171 Å²	171	119.8 Å²	119.8	75%	0.75	62%	0.615	S	S	*	*			trans	-83.9	121.3	-160.6	-169.8	-100.3	0	0	0	112	N182	F180-N182 WeakPolarHBondContact CE1-OD1 3.21Å; F180-N182 VanDerWaalsContact CZ-OD1 3.27Å; F180-N182 WeakPolarHBondContact CZ-OD1 3.48Å
181	R	30.9	Very low	37	Very low	241 Å²	241	120.2 Å²	120.2	91%	0.909	62%	0.622	S	S	*	*			trans	-131.9	110.5	167.4	-115.9	-179.6	174.9	-179.9	-1.9	110.7	R183	R181-R183 PolarHBondContact O-N 2.81Å
182	N	33.8	Very low	37.5	Very low	124 Å²	124	121.6 Å²	121.6	66%	0.663	63%	0.63	S	S	*	*			trans	-53.4	121.4	-178.3	-92.4	-28.5	0	0	0	112.1	F180	F180-N182 WeakPolarHBondContact CE1-OD1 3.21Å; F180-N182 VanDerWaalsContact CZ-OD1 3.27Å; F180-N182 WeakPolarHBondContact CZ-OD1 3.48Å
183	R	34.3	Very low	38.3	Very low	235 Å²	235	128.4 Å²	128.4	89%	0.887	67%	0.666	S	S	*	*			trans	-126.5	87.4	153.2	-91	-169.8	163	-162.6	-6.1	107.9	R181 L185	R181-R183 PolarHBondContact O-N 2.81Å; R183-L185 PolarHBondContact O-N 2.77Å
184	T	34.2	Very low	39.2	Very low	128 Å²	128	123.6 Å²	123.6	79%	0.785	65%	0.648	S	S	*	*			trans	-57.2	121.9	164.9	38.4	0	0	0	0	108.9
185	L	32.1	Very low	40.1	Very low	170 Å²	170	124.9 Å²	124.9	89%	0.89	65%	0.647	S	S	*	*			trans	-121.7	100.6	161	-73.9	177.6	0	0	0	105.7	R183 M187	R183-L185 PolarHBondContact O-N 2.77Å; L185-M187 PolarHBondContact O-N 3.2Å
186	S	40.7	Very low	41	Very low	117 Å²	117	133.3 Å²	133.3	82%	0.818	67%	0.674	S	S	*	*			trans	-68.7	124.6	172.9	177.5	0	0	0	0	109.3
187	M	38.8	Very low	42.6	Very low	186 Å²	186	132.9 Å²	132.9	92%	0.916	67%	0.67	S	S	*	*			trans	-161.1	117.1	137.4	-106.5	-170.9	75.6	0	0	108.3	L185	L185-M187 PolarHBondContact O-N 3.2Å
188	E	44	Very low	44.4	Very low	182 Å²	182	128.8 Å²	128.8	85%	0.85	64%	0.638	S	S	*	*			trans	-89	178	-178.8	-161.6	166.1	-136.6	0	0	111
189	S	41.4	Very low	46.1	Very low	100 Å²	100	128.9 Å²	128.9	70%	0.699	64%	0.642	S	S	*	*			trans	69.3	100.2	173.4	-159.7	0	0	0	0	116.8
190	L	40.8	Very low	48.5	Very low	148 Å²	148	129 Å²	129	78%	0.775	65%	0.647	S	S	*	*	S	Bend		-175.3	138.2	94.8	-90.1	173.6	0	0	0	110.2
191	T	42.5	Very low	51	Low	112 Å²	112	122.6 Å²	122.6	69%	0.687	62%	0.62	S	S	*	*			trans	59.3	88.9	-173.4	56.7	0	0	0	0	114.4
192	D	45.4	Very low	53.1	Low	129 Å²	129	113 Å²	113	69%	0.69	59%	0.587	S	S	*	*			trans	-95	-18.3	-179.1	-171.5	44.3	0	0	0	112.6	G194 E195	D192-G194 PolarHBondContact O-N 3.31Å; D192-E195 PolarHBondContact O-N 3.1Å; D192-E195 VanDerWaalsContact O-N 3.14Å
193	D	53.5	Low	55.4	Low	152 Å²	152	113.5 Å²	113.5	81%	0.813	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	-0.3	-166.6	-39.1	-93.6	0	0	0	115.7
194	G	53.5	Low	57.8	Low	15 Å²	15	106.5 Å²	106.5	16%	0.155	56%	0.562	C	S	.	*	T	Hydrogen-bonded Turn	trans	-117	-5.7	-177.2	0	0	0	0	0	115.7	D192 W198	D192-G194 PolarHBondContact O-N 3.31Å; G194-W198 WeakPolarHBondContact O-CH2 3.49Å; G194-W198 WeakPolarHBondContact O-CZ2 3.47Å
195	E	56.3	Low	60	Low	81 Å²	81	100.7 Å²	100.7	38%	0.379	53%	0.527	S	S	.	.	S	Bend	trans	-87	-15.8	-177.8	-57.7	-152	173.3	0	0	113.9	D192 W197 W198 S199	D192-E195 PolarHBondContact O-N 3.1Å; D192-E195 VanDerWaalsContact O-N 3.14Å; E195-W197 PolarHBondContact O-N 3.25Å; E195-W198 VanDerWaalsContact O-CD1 3.24Å; E195-W198 PolarHBondContact O-NE1 3.11Å; E195-W198 VanDerWaalsContact O-NE1 3.09Å; E195-S199 PolarHBondContact O-OG 3.33Å; E195-S199 VanDerWaalsContact O-OG 3.13Å
196	W	61.3	Low	62.3	Low	222 Å²	222	98.1 Å²	98.1	84%	0.841	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-54	-45.6	-173.9	-179.6	-98.7	0	0	0	115.5	W198 S199	W196-W198 PolarHBondContact O-N 2.86Å; W196-S199 PolarHBondContact O-N 3.37Å
197	W	70.6	Confident	64.3	Low	61 Å²	61	96.2 Å²	96.2	23%	0.231	50%	0.501	C	S	.	.	G	3₁₀ helix	trans	-79.4	-20.1	-159.7	73.9	-99.9	0	0	0	115.4	E195 G259 R263	E195-W197 PolarHBondContact O-N 3.25Å; W197-G259 WeakPolarHBondContact CH2-O 3.46Å; W197-G259 WeakPolarHBondContact CZ3-O 3.22Å; W197-R263 HydrophobicContact CH2-CB 3.71Å; W197-R263 HydrophobicContact CH2-CG 3.66Å; W197-R263 HydrophobicContact CZ3-CB 4Å; W197-R263 HydrophobicContact CZ3-CG 3.67Å
198	W	74.3	Confident	66.2	Low	18 Å²	18	90.9 Å²	90.9	7%	0.068	47%	0.474	C	S	.	.	G	3₁₀ helix	trans	-98.8	-4	172.8	49.1	55.1	0	0	0	113.7	G194 E195 W196 L201 L202 V260 F365 V369	G194-W198 WeakPolarHBondContact O-CH2 3.49Å; G194-W198 WeakPolarHBondContact O-CZ2 3.47Å; E195-W198 VanDerWaalsContact O-CD1 3.24Å; E195-W198 PolarHBondContact O-NE1 3.11Å; E195-W198 VanDerWaalsContact O-NE1 3.09Å; W196-W198 PolarHBondContact O-N 2.86Å; W198-L201 PolarHBondContact O-N 2.95Å; W198-L202 PolarHBondContact O-N 2.83Å; W198-V260 HydrophobicContact CB-CG2 4.24Å; W198-V260 HydrophobicContact CD2-CG1 4.18Å; W198-V260 HydrophobicContact CE3-CG1 3.92Å; W198-F365 HydrophobicContact CH2-CE2 4.13Å; W198-F365 AromaticContact CZ3-CE2 3.8Å; W198-F365 HydrophobicContact CZ3-CE2 3.8Å; W198-V369 HydrophobicContact CH2-CG2 3.83Å; W198-V369 HydrophobicContact CZ2-CG2 4.2Å; W198-V369 HydrophobicContact CZ3-CG2 4.2Å
199	S	75.4	Confident	67.9	Low	37 Å²	37	82.6 Å²	82.6	26%	0.259	44%	0.438	S	S	.	.	H	α-helix	trans	-60.9	-40	177.9	-66.1	0	0	0	0	114.1	E195 W196 L201 L202 E203	E195-S199 PolarHBondContact O-OG 3.33Å; E195-S199 VanDerWaalsContact O-OG 3.13Å; W196-S199 PolarHBondContact O-N 3.37Å; S199-L201 PolarHBondContact O-N 3.17Å; S199-L202 WeakPolarHBondContact O-CB 3.46Å; S199-L202 PolarHBondContact O-N 3.38Å; S199-L202 VanDerWaalsContact O-N 3.14Å; S199-E203 WeakPolarHBondContact O-CG 3.44Å; S199-E203 PolarHBondContact O-N 3.26Å
200	P	83.6	Confident	69.7	Low	80 Å²	80	79.7 Å²	79.7	52%	0.519	42%	0.424	S	S	.	.	H	α-helix	trans	-61.9	-41.6	175.4	-24.8	35.5	0	0	0	113.1	L202 E203 E204	P200-L202 VanDerWaalsContact C-N 3.29Å; P200-L202 PolarHBondContact O-N 2.97Å; P200-E203 PolarHBondContact O-N 2.99Å; P200-E204 WeakPolarHBondContact O-CB 3.19Å; P200-E204 PolarHBondContact O-N 3.35Å
201	L	83.3	Confident	71.4	Confident	36 Å²	36	75 Å²	75	19%	0.188	40%	0.403	C	S	.	.	H	α-helix	trans	-63.2	-35.7	174.8	173.1	64.5	0	0	0	111.9	W198 S199 L205 V260	W198-L201 PolarHBondContact O-N 2.95Å; S199-L201 PolarHBondContact O-N 3.17Å; L201-L205 HydrophobicContact CD1-CD1 4.16Å; L201-L205 HydrophobicContact CD1-CG 4.3Å; L201-L205 HydrophobicContact CG-CD1 4.08Å; L201-L205 VanDerWaalsContact O-CB 3.27Å; L201-L205 WeakPolarHBondContact O-CB 3.48Å; L201-L205 WeakPolarHBondContact O-CG 3.49Å; L201-L205 PolarHBondContact O-N 2.96Å; L201-V260 HydrophobicContact CD2-CG2 4.4Å
202	L	75.4	Confident	73.4	Confident	39 Å²	39	69.9 Å²	69.9	20%	0.204	37%	0.371	C	S	.	.	H	α-helix	trans	-65	-48.7	172.6	162.9	63.6	0	0	0	111.6	W198 S199 P200 E204 L205 Q206 L374	W198-L202 PolarHBondContact O-N 2.83Å; S199-L202 WeakPolarHBondContact O-CB 3.46Å; S199-L202 PolarHBondContact O-N 3.38Å; S199-L202 VanDerWaalsContact O-N 3.14Å; P200-L202 VanDerWaalsContact C-N 3.29Å; P200-L202 PolarHBondContact O-N 2.97Å; L202-E204 VanDerWaalsContact C-N 3.3Å; L202-E204 PolarHBondContact O-N 3.38Å; L202-L205 CarbonylContact O-C 3.57Å; L202-L205 PolarHBondContact O-N 3.08Å; L202-Q206 WeakPolarHBondContact O-CB 3.47Å; L202-Q206 PolarHBondContact O-N 3.41Å; L202-L374 HydrophobicContact CB-CD1 4.44Å; L202-L374 HydrophobicContact CD1-CD1 3.9Å; L202-L374 HydrophobicContact CD1-CD2 3.32Å; L202-L374 HydrophobicContact CD1-CG 4.12Å; L202-L374 HydrophobicContact CD2-CD1 3.65Å; L202-L374 HydrophobicContact CD2-CD2 3.81Å; L202-L374 HydrophobicContact CD2-CG 4.32Å; L202-L374 HydrophobicContact CG-CD1 4.2Å; L202-L374 HydrophobicContact CG-CD2 4.19Å
203	E	81.6	Confident	75.3	Confident	136 Å²	136	70.3 Å²	70.3	64%	0.636	37%	0.369	S	S	*	.	H	α-helix	trans	-60.6	-42.8	-178.3	-72.9	172.6	-171.6	0	0	110.8	S199 P200 Q206 A207	S199-E203 WeakPolarHBondContact O-CG 3.44Å; S199-E203 PolarHBondContact O-N 3.26Å; P200-E203 PolarHBondContact O-N 2.99Å; E203-Q206 PolarHBondContact O-N 3.23Å; E203-A207 WeakPolarHBondContact O-CB 3.46Å; E203-A207 PolarHBondContact O-N 2.92Å
204	E	84.6	Confident	77.1	Confident	87 Å²	87	64.2 Å²	64.2	41%	0.407	34%	0.34	S	S	.	.	H	α-helix	trans	-56.6	-54.8	169.9	-172.9	-163	117.6	0	0	112.1	P200 L202 Q206 A207 E208 R255	P200-E204 WeakPolarHBondContact O-CB 3.19Å; P200-E204 PolarHBondContact O-N 3.35Å; L202-E204 VanDerWaalsContact C-N 3.3Å; L202-E204 PolarHBondContact O-N 3.38Å; E204-Q206 PolarHBondContact O-N 3.27Å; E204-Q206 VanDerWaalsContact O-N 3.15Å; E204-A207 PolarHBondContact O-N 2.78Å; E204-A207 VanDerWaalsContact O-N 3.14Å; E204-E208 PolarHBondContact O-N 2.85Å; E204-R255 IonicContact OE1-CZ 2.81Å; E204-R255 VanDerWaalsContact OE1-CZ 3.29Å; E204-R255 IonicContact OE1-NE 2.98Å; E204-R255 IonicContact OE1-NH1 3.87Å; E204-R255 PolarHBondContact OE1-NH1 2.9Å; E204-R255 IonicContact OE1-NH2 3.71Å
205	L	80.8	Confident	78.8	Confident	6 Å²	6	68.3 Å²	68.3	3%	0.031	36%	0.358	C	S	.	.	H	α-helix	trans	-61.4	-21.2	178	-80.2	172.8	0	0	0	114.1	L201 L202 R252 R255 I256	L201-L205 HydrophobicContact CD1-CD1 4.16Å; L201-L205 HydrophobicContact CD1-CG 4.3Å; L201-L205 HydrophobicContact CG-CD1 4.08Å; L201-L205 VanDerWaalsContact O-CB 3.27Å; L201-L205 WeakPolarHBondContact O-CB 3.48Å; L201-L205 WeakPolarHBondContact O-CG 3.49Å; L201-L205 PolarHBondContact O-N 2.96Å; L202-L205 CarbonylContact O-C 3.57Å; L202-L205 PolarHBondContact O-N 3.08Å; L205-R252 HydrophobicContact CD1-CG 4.34Å; L205-R252 HydrophobicContact CD2-CB 3.95Å; L205-R252 HydrophobicContact CD2-CG 3.88Å; L205-R255 HydrophobicContact CD1-CB 4.45Å; L205-R255 HydrophobicContact CD2-CB 4.34Å; L205-I256 HydrophobicContact CD1-CG1 4.22Å
206	Q	80.3	Confident	80.6	Confident	116 Å²	116	65.7 Å²	65.7	54%	0.542	35%	0.349	S	S	.	.	H	α-helix	trans	-90.2	-35	176.1	-173	158.1	-46.6	0	0	111.8	L202 E203 E204 G210	L202-Q206 WeakPolarHBondContact O-CB 3.47Å; L202-Q206 PolarHBondContact O-N 3.41Å; E203-Q206 PolarHBondContact O-N 3.23Å; E204-Q206 PolarHBondContact O-N 3.27Å; E204-Q206 VanDerWaalsContact O-N 3.15Å; Q206-G210 PolarHBondContact O-N 3.42Å
207	A	82	Confident	82.3	Confident	77 Å²	77	55.1 Å²	55.1	64%	0.636	31%	0.309	S	S	*	.	H	α-helix	trans	-67.4	-51.8	173.3	0	0	0	0	0	111.9	E203 E204 G209 G210	E203-A207 WeakPolarHBondContact O-CB 3.46Å; E203-A207 PolarHBondContact O-N 2.92Å; E204-A207 PolarHBondContact O-N 2.78Å; E204-A207 VanDerWaalsContact O-N 3.14Å; A207-G209 VanDerWaalsContact C-N 3.26Å; A207-G209 PolarHBondContact O-N 2.81Å; A207-G210 WeakPolarHBondContact O-CA 3.42Å; A207-G210 PolarHBondContact O-N 3.27Å
208	E	80.5	Confident	83.5	Confident	74 Å²	74	53.7 Å²	53.7	35%	0.346	31%	0.308	S	S	.	.	H	α-helix	trans	-56.7	-43.1	173.4	-71.6	-176.4	159.7	0	0	111.5	E204 G210 C211 F248 R255	E204-E208 PolarHBondContact O-N 2.85Å; E208-G210 PolarHBondContact O-N 3.08Å; E208-G210 VanDerWaalsContact O-N 3.11Å; E208-C211 PolarHBondContact O-N 3.04Å; E208-C211 PolarHBondContact O-SG 3.03Å; E208-F248 HydrophobicContact CB-CE2 3.84Å; E208-F248 HydrophobicContact CB-CZ 4.37Å; E208-R255 IonicContact OE1-CZ 3.88Å; E208-R255 IonicContact OE1-NH1 3.43Å; E208-R255 PolarHBondContact OE1-NH1 3.48Å; E208-R255 VanDerWaalsContact OE1-NH1 3.09Å; E208-R255 IonicContact OE1-NH2 2.88Å; E208-R255 PolarHBondContact OE1-NH2 3.36Å; E208-R255 IonicContact OE2-CZ 2.6Å; E208-R255 IonicContact OE2-NH1 2.66Å; E208-R255 PolarHBondContact OE2-NH1 2.96Å; E208-R255 IonicContact OE2-NH2 3.22Å; E208-R255 PolarHBondContact OE2-NH2 3.18Å
209	G	79.1	Confident	84.4	Confident	8 Å²	8	59.4 Å²	59.4	8%	0.082	34%	0.337	C	S	.	.	H	α-helix	trans	-60	-21.3	177.3	0	0	0	0	0	113.6	A207 C211 V212 Q213	A207-G209 VanDerWaalsContact C-N 3.26Å; A207-G209 PolarHBondContact O-N 2.81Å; G209-C211 PolarHBondContact O-N 3.07Å; G209-C211 VanDerWaalsContact O-N 3.17Å; G209-V212 PolarHBondContact O-N 3.27Å; G209-Q213 WeakPolarHBondContact O-CG 3.17Å; G209-Q213 PolarHBondContact O-N 3.21Å
210	G	78.8	Confident	85.3	Confident	40 Å²	40	58.7 Å²	58.7	41%	0.412	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-47	-38.5	171.3	0	0	0	0	0	113.6	Q206 A207 E208 V212	Q206-G210 PolarHBondContact O-N 3.42Å; A207-G210 WeakPolarHBondContact O-CA 3.42Å; A207-G210 PolarHBondContact O-N 3.27Å; E208-G210 PolarHBondContact O-N 3.08Å; E208-G210 VanDerWaalsContact O-N 3.11Å; G210-V212 VanDerWaalsContact C-N 3.3Å; G210-V212 PolarHBondContact O-N 2.8Å
211	C	75.9	Confident	85.8	Confident	50 Å²	50	55.5 Å²	55.5	34%	0.338	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-72.4	-18.7	-177.6	75.5	0	0	0	0	114	E208 G209 R301	E208-C211 PolarHBondContact O-N 3.04Å; E208-C211 PolarHBondContact O-SG 3.03Å; G209-C211 PolarHBondContact O-N 3.07Å; G209-C211 VanDerWaalsContact O-N 3.17Å; C211-R301 VanDerWaalsContact O-CZ 3.26Å; C211-R301 PolarHBondContact O-NH1 3.44Å; C211-R301 PolarHBondContact O-NH2 3.22Å
212	V	85.4	Confident	86.4	Confident	4 Å²	4	56.7 Å²	56.7	2%	0.024	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-128	28.4	-173.6	-69.4	0	0	0	0	113.8	G209 G210 Y241 I244 Q245 F248	G209-V212 PolarHBondContact O-N 3.27Å; G210-V212 VanDerWaalsContact C-N 3.3Å; G210-V212 PolarHBondContact O-N 2.8Å; V212-Y241 WeakPolarHBondContact CA-OH 3.4Å; V212-I244 HydrophobicContact CG1-CG2 4.18Å; V212-Q245 HydrophobicContact CB-CB 4.36Å; V212-Q245 HydrophobicContact CB-CG 4.29Å; V212-Q245 PolarHBondContact O-NE2 2.93Å; V212-F248 HydrophobicContact CG2-CB 3.95Å; V212-F248 HydrophobicContact CG2-CD1 3.54Å; V212-F248 HydrophobicContact CG2-CD2 4.32Å; V212-F248 HydrophobicContact CG2-CE1 4.18Å; V212-F248 HydrophobicContact CG2-CG 3.63Å
213	Q	86.3	Confident	87.4	Confident	138 Å²	138	58.6 Å²	58.6	65%	0.645	34%	0.336	S	S	*	.			trans	-74.3	-20.2	-177	-62.5	-165	1.4	0	0	115.6	G209	G209-Q213 WeakPolarHBondContact O-CG 3.17Å; G209-Q213 PolarHBondContact O-N 3.21Å
214	A	89.9	Confident	88	Confident	23 Å²	23	57.2 Å²	57.2	19%	0.19	34%	0.336	C	S	.	.	S	Bend	trans	-75.7	149.1	-173.1	0	0	0	0	0	112.5	S216 M219 A220 Y241 Q245	A214-S216 PolarHBondContact O-N 2.97Å; A214-M219 HydrophobicContact CB-CB 4.23Å; A214-A220 HydrophobicContact CB-CB 3.88Å; A214-Y241 PolarHBondContact N-OH 3.06Å; A214-Y241 WeakPolarHBondContact O-CE1 3.49Å; A214-Y241 PolarHBondContact O-OH 3Å; A214-Q245 PolarHBondContact O-NE2 3.11Å
215	D	89.4	Confident	88.5	Confident	102 Å²	102	54.2 Å²	54.2	55%	0.545	32%	0.322	S	S	.	.	S	Bend	trans	-64.4	-20.1	-179.7	-73.7	33.6	0	0	0	113.8	N179	N179-D215 PolarHBondContact ND2-OD1 3.11Å; N179-D215 PolarHBondContact ND2-OD2 2.86Å
216	S	94.5	Very high	89.2	Confident	26 Å²	26	55.8 Å²	55.8	18%	0.182	33%	0.33	C	S	.	.	S	Bend	trans	-161.5	168.1	177.5	65.7	0	0	0	0	111.3	A214 S218 M219 A220	A214-S216 PolarHBondContact O-N 2.97Å; S216-S218 VanDerWaalsContact C-N 3.29Å; S216-S218 PolarHBondContact O-N 2.81Å; S216-S218 PolarHBondContact OG-OG 2.87Å; S216-M219 PolarHBondContact O-N 3.25Å; S216-M219 VanDerWaalsContact O-N 3.07Å; S216-M219 WeakPolarHBondContact OG-CG 3.34Å; S216-M219 PolarHBondContact OG-N 2.81Å; S216-A220 PolarHBondContact O-N 2.79Å; S216-A220 VanDerWaalsContact O-N 3.16Å
217	W	96.5	Very high	89.9	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-58.6	-43.4	170.8	177.3	84.9	0	0	0	111.7	M219 A220 V221 F225 L226 Q229 I234 Q237 D238 Y241 F313	W217-M219 PolarHBondContact O-N 2.76Å; W217-M219 VanDerWaalsContact O-N 3.08Å; W217-A220 WeakPolarHBondContact O-CB 3.45Å; W217-A220 PolarHBondContact O-N 3.47Å; W217-V221 HydrophobicContact CD2-CG1 4.28Å; W217-V221 HydrophobicContact CD2-CG2 4.45Å; W217-V221 HydrophobicContact CE3-CG2 4.44Å; W217-V221 HydrophobicContact CH2-CG2 4.35Å; W217-V221 HydrophobicContact CZ2-CG1 4.09Å; W217-V221 HydrophobicContact CZ2-CG2 4.35Å; W217-V221 HydrophobicContact CZ3-CG2 4.37Å; W217-V221 PolarHBondContact O-N 3.38Å; W217-F225 HydrophobicContact CH2-CE1 4.19Å; W217-F225 AromaticContact CZ2-CE1 3.89Å; W217-F225 HydrophobicContact CZ2-CE1 3.89Å; W217-L226 HydrophobicContact CE3-CD1 4.24Å; W217-L226 HydrophobicContact CH2-CD1 4.35Å; W217-L226 HydrophobicContact CZ3-CD1 3.59Å; W217-Q229 HydrophobicContact CH2-CB 4.48Å; W217-Q229 HydrophobicContact CH2-CG 4.1Å; W217-I234 HydrophobicContact CE3-CG2 4.33Å; W217-I234 HydrophobicContact CZ3-CB 4.23Å; W217-I234 HydrophobicContact CZ3-CG1 4.1Å; W217-I234 HydrophobicContact CZ3-CG2 4.11Å; W217-Q237 HydrophobicContact CB-CB 4.23Å; W217-Q237 HydrophobicContact CD2-CB 3.31Å; W217-Q237 HydrophobicContact CD2-CG 4.12Å; W217-Q237 VanDerWaalsContact CE2-CB 3.48Å; W217-Q237 HydrophobicContact CE3-CB 3.67Å; W217-Q237 HydrophobicContact CE3-CG 4.45Å; W217-Q237 HydrophobicContact CG-CB 3.57Å; W217-Q237 HydrophobicContact CH2-CB 4.25Å; W217-Q237 HydrophobicContact CH2-CG 4.15Å; W217-Q237 HydrophobicContact CZ2-CB 3.95Å; W217-Q237 HydrophobicContact CZ2-CG 3.79Å; W217-Q237 HydrophobicContact CZ3-CB 4.14Å; W217-Q237 HydrophobicContact CZ3-CG 4.48Å; W217-D238 PolarHBondContact N-OD1 2.95Å; W217-Y241 HydrophobicContact CB-CD2 4.43Å; W217-Y241 HydrophobicContact CB-CG 4.08Å; W217-F313 AromaticContact CD1-CE2 3.35Å; W217-F313 AromaticContact CD1-CZ 3.46Å; W217-F313 VanDerWaalsContact CD1-CZ 3.46Å; W217-F313 VanDerWaalsContact CZ2-O 3.32Å; W217-F313 WeakPolarHBondContact CZ2-O 3.31Å; W217-F313 AromaticContact NE1-CD2 3.78Å; W217-F313 AromaticContact NE1-CE2 3.54Å; W217-F313 AromaticContact NE1-CZ 3.85Å; W217-F313 PolarHBondContact NE1-O 2.95Å
218	S	95.3	Very high	90.5	Very high	30 Å²	30	58.6 Å²	58.6	21%	0.21	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-60.8	-12.6	174.9	40.6	0	0	0	0	114.8	S216 D238	S216-S218 VanDerWaalsContact C-N 3.29Å; S216-S218 PolarHBondContact O-N 2.81Å; S216-S218 PolarHBondContact OG-OG 2.87Å; S218-D238 WeakPolarHBondContact CB-OD1 3.47Å; S218-D238 PolarHBondContact N-OD1 3.03Å; S218-D238 PolarHBondContact OG-OD1 2.93Å; S218-D238 PolarHBondContact OG-OD2 3.38Å
219	M	94.6	Very high	91.2	Very high	139 Å²	139	57.2 Å²	57.2	69%	0.685	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-107.1	-3.9	171.2	-65.4	-62.8	-57.7	0	0	113.3	A214 S216 W217	A214-M219 HydrophobicContact CB-CB 4.23Å; S216-M219 PolarHBondContact O-N 3.25Å; S216-M219 VanDerWaalsContact O-N 3.07Å; S216-M219 WeakPolarHBondContact OG-CG 3.34Å; S216-M219 PolarHBondContact OG-N 2.81Å; W217-M219 PolarHBondContact O-N 2.76Å; W217-M219 VanDerWaalsContact O-N 3.08Å
220	A	93.4	Very high	91.8	Very high	22 Å²	22	62.5 Å²	62.5	18%	0.182	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-20	-179.9	0	0	0	0	0	113.5	A214 S216 W217 Y241	A214-A220 HydrophobicContact CB-CB 3.88Å; S216-A220 PolarHBondContact O-N 2.79Å; S216-A220 VanDerWaalsContact O-N 3.16Å; W217-A220 WeakPolarHBondContact O-CB 3.45Å; W217-A220 PolarHBondContact O-N 3.47Å; A220-Y241 HydrophobicContact CB-CE2 4.08Å
221	V	95.3	Very high	92.4	Very high	12 Å²	12	68.3 Å²	68.3	7%	0.073	37%	0.367	C	S	.	.	S	Bend	trans	-105.8	158.9	179.3	-55.9	0	0	0	0	111.5	W217 F225 L226 F313	W217-V221 HydrophobicContact CD2-CG1 4.28Å; W217-V221 HydrophobicContact CD2-CG2 4.45Å; W217-V221 HydrophobicContact CE3-CG2 4.44Å; W217-V221 HydrophobicContact CH2-CG2 4.35Å; W217-V221 HydrophobicContact CZ2-CG1 4.09Å; W217-V221 HydrophobicContact CZ2-CG2 4.35Å; W217-V221 HydrophobicContact CZ3-CG2 4.37Å; W217-V221 PolarHBondContact O-N 3.38Å; V221-F225 HydrophobicContact CB-CD1 3.93Å; V221-F225 HydrophobicContact CB-CE1 4.43Å; V221-F225 HydrophobicContact CG1-CD1 4.4Å; V221-F225 HydrophobicContact CG1-CE1 4.42Å; V221-F225 HydrophobicContact CG2-CD1 4Å; V221-L226 HydrophobicContact CG2-CB 4.21Å; V221-L226 HydrophobicContact CG2-CD1 4.27Å; V221-F313 HydrophobicContact CG1-CD1 4.49Å; V221-F313 HydrophobicContact CG1-CE1 4.38Å
222	D	95.8	Very high	93.1	Very high	62 Å²	62	67 Å²	67	33%	0.332	36%	0.357	S	S	.	.			trans	-65.8	141.3	-178.3	-56.7	-33.3	0	0	0	111.6	T224 F225 L226 N312	D222-T224 VanDerWaalsContact C-N 3.27Å; D222-T224 PolarHBondContact O-N 3.02Å; D222-F225 HydrophobicContact CB-CB 4.36Å; D222-F225 WeakPolarHBondContact O-CB 3.28Å; D222-F225 PolarHBondContact O-N 3.22Å; D222-L226 PolarHBondContact O-N 2.99Å; D222-N312 WeakPolarHBondContact CB-OD1 3.47Å; D222-N312 VanDerWaalsContact CG-OD1 3.29Å; D222-N312 PolarHBondContact N-OD1 3.25Å; D222-N312 PolarHBondContact OD2-ND2 2.94Å; D222-N312 PolarHBondContact OD2-OD1 3.05Å
223	S	94.7	Very high	93.5	Very high	79 Å²	79	68.9 Å²	68.9	55%	0.552	37%	0.368	S	S	*	.	H	α-helix	trans	-59	-34.8	-178	179.1	0	0	0	0	113.6	Q227	S223-Q227 VanDerWaalsContact O-CG 3.26Å; S223-Q227 WeakPolarHBondContact O-CG 3.35Å; S223-Q227 PolarHBondContact O-N 3.04Å; S223-Q227 VanDerWaalsContact O-N 3.14Å; S223-Q227 PolarHBondContact O-NE2 2.91Å; S223-Q227 VanDerWaalsContact O-NE2 3.07Å; S223-Q227 PolarHBondContact OG-NE2 3.3Å
224	T	94.3	Very high	94	Very high	106 Å²	106	64 Å²	64	65%	0.65	35%	0.346	S	S	*	.	H	α-helix	trans	-66.4	-43.2	175.1	45.2	0	0	0	0	111.7	D222 Q227	D222-T224 VanDerWaalsContact C-N 3.27Å; D222-T224 PolarHBondContact O-N 3.02Å; T224-Q227 PolarHBondContact O-N 3.22Å
225	F	95.5	Very high	94.2	Very high	24 Å²	24	66.2 Å²	66.2	11%	0.105	35%	0.352	C	S	.	.	H	α-helix	trans	-64.3	-46.9	174.1	176.6	-100.7	0	0	0	111	W217 V221 D222 Q227 T228 Q229 N312	W217-F225 HydrophobicContact CH2-CE1 4.19Å; W217-F225 AromaticContact CZ2-CE1 3.89Å; W217-F225 HydrophobicContact CZ2-CE1 3.89Å; V221-F225 HydrophobicContact CB-CD1 3.93Å; V221-F225 HydrophobicContact CB-CE1 4.43Å; V221-F225 HydrophobicContact CG1-CD1 4.4Å; V221-F225 HydrophobicContact CG1-CE1 4.42Å; V221-F225 HydrophobicContact CG2-CD1 4Å; D222-F225 HydrophobicContact CB-CB 4.36Å; D222-F225 WeakPolarHBondContact O-CB 3.28Å; D222-F225 PolarHBondContact O-N 3.22Å; F225-Q227 PolarHBondContact O-N 3.2Å; F225-T228 WeakPolarHBondContact O-CB 3.41Å; F225-T228 PolarHBondContact O-N 2.96Å; F225-T228 PolarHBondContact O-OG1 2.92Å; F225-Q229 HydrophobicContact CE1-CG 4.27Å; F225-Q229 WeakPolarHBondContact O-CG 3.44Å; F225-N312 HydrophobicContact CB-CB 4.3Å; F225-N312 HydrophobicContact CD1-CB 3.86Å; F225-N312 HydrophobicContact CD2-CB 3.95Å; F225-N312 HydrophobicContact CE1-CB 4.09Å; F225-N312 HydrophobicContact CE2-CB 4.18Å; F225-N312 HydrophobicContact CG-CB 3.77Å; F225-N312 HydrophobicContact CZ-CB 4.24Å
226	L	95.7	Very high	94.5	Very high	39 Å²	39	62.3 Å²	62.3	20%	0.204	33%	0.33	C	S	.	.	H	α-helix	trans	-55.6	-38	178.8	-175	64.5	0	0	0	112.8	W217 V221 D222 T228 Q229 I234	W217-L226 HydrophobicContact CE3-CD1 4.24Å; W217-L226 HydrophobicContact CH2-CD1 4.35Å; W217-L226 HydrophobicContact CZ3-CD1 3.59Å; V221-L226 HydrophobicContact CG2-CB 4.21Å; V221-L226 HydrophobicContact CG2-CD1 4.27Å; D222-L226 PolarHBondContact O-N 2.99Å; L226-T228 PolarHBondContact O-N 3.45Å; L226-Q229 WeakPolarHBondContact O-CB 3.41Å; L226-Q229 PolarHBondContact O-N 3.41Å; L226-Q229 VanDerWaalsContact O-N 3.14Å; L226-I234 HydrophobicContact CD1-CD1 3.89Å; L226-I234 HydrophobicContact CD1-CG1 4Å; L226-I234 HydrophobicContact CD1-CG2 4.07Å; L226-I234 HydrophobicContact CG-CD1 4.48Å
227	Q	95.2	Very high	94.7	Very high	151 Å²	151	61.2 Å²	61.2	71%	0.706	32%	0.322	S	S	*	.	H	α-helix	trans	-66.1	-21.2	177.8	-74.5	167.9	57.8	0	0	113.9	S223 T224 F225 Q229	S223-Q227 VanDerWaalsContact O-CG 3.26Å; S223-Q227 WeakPolarHBondContact O-CG 3.35Å; S223-Q227 PolarHBondContact O-N 3.04Å; S223-Q227 VanDerWaalsContact O-N 3.14Å; S223-Q227 PolarHBondContact O-NE2 2.91Å; S223-Q227 VanDerWaalsContact O-NE2 3.07Å; S223-Q227 PolarHBondContact OG-NE2 3.3Å; T224-Q227 PolarHBondContact O-N 3.22Å; F225-Q227 PolarHBondContact O-N 3.2Å; Q227-Q229 VanDerWaalsContact C-N 3.29Å
228	T	94.6	Very high	94.7	Very high	101 Å²	101	62.5 Å²	62.5	62%	0.62	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-11.9	174.2	69.7	0	0	0	0	113.6	F225 L226	F225-T228 WeakPolarHBondContact O-CB 3.41Å; F225-T228 PolarHBondContact O-N 2.96Å; F225-T228 PolarHBondContact O-OG1 2.92Å; L226-T228 PolarHBondContact O-N 3.45Å
229	Q	94.6	Very high	94.8	Very high	45 Å²	45	61.4 Å²	61.4	21%	0.21	32%	0.321	C	S	.	.	S	Bend	trans	-97.4	135.9	-164.6	-60.9	-66	-28.9	0	0	112.3	W217 F225 L226 Q227 I234	W217-Q229 HydrophobicContact CH2-CB 4.48Å; W217-Q229 HydrophobicContact CH2-CG 4.1Å; F225-Q229 HydrophobicContact CE1-CG 4.27Å; F225-Q229 WeakPolarHBondContact O-CG 3.44Å; L226-Q229 WeakPolarHBondContact O-CB 3.41Å; L226-Q229 PolarHBondContact O-N 3.41Å; L226-Q229 VanDerWaalsContact O-N 3.14Å; Q227-Q229 VanDerWaalsContact C-N 3.29Å; Q229-I234 HydrophobicContact CB-CD1 4.28Å; Q229-I234 HydrophobicContact CB-CG1 3.84Å
230	H	92.7	Very high	95	Very high	120 Å²	120	55 Å²	55	56%	0.556	29%	0.289	S	S	*	.			trans	-68	143	179	-174.1	-112.1	0	0	0	111.5	D232 V233 I234	H230-D232 IonicContact CE1-OD2 3.32Å; H230-D232 PolarHBondContact CE1-OD2 3.47Å; H230-D232 IonicContact ND1-OD2 3.74Å; H230-D232 PolarHBondContact O-N 3.01Å; H230-V233 HydrophobicContact CB-CG2 4.3Å; H230-V233 WeakPolarHBondContact O-CA 3.41Å; H230-V233 WeakPolarHBondContact O-CB 3.38Å; H230-V233 PolarHBondContact O-N 2.85Å; H230-I234 PolarHBondContact O-N 2.88Å; H230-I234 VanDerWaalsContact O-N 3.08Å
231	K	91.9	Very high	95.2	Very high	161 Å²	161	54.1 Å²	54.1	70%	0.7	28%	0.281	S	S	*	.	H	α-helix	trans	-53.2	-28.4	-174.4	-69.4	179.7	179.9	174.3	0	114.6	K235	K231-K235 WeakPolarHBondContact O-CG 3.37Å; K231-K235 PolarHBondContact O-N 3.23Å
232	D	90.3	Very high	95.3	Very high	23 Å²	23	54.9 Å²	54.9	12%	0.123	28%	0.284	C	S	.	.	H	α-helix	trans	-81.4	-33.2	176.1	-64.9	-42.3	0	0	0	113.2	H230 K235 Q236 K406	H230-D232 IonicContact CE1-OD2 3.32Å; H230-D232 PolarHBondContact CE1-OD2 3.47Å; H230-D232 IonicContact ND1-OD2 3.74Å; H230-D232 PolarHBondContact O-N 3.01Å; D232-K235 PolarHBondContact O-N 3.21Å; D232-K235 IonicContact OD1-NZ 3.8Å; D232-K235 PolarHBondContact OD1-NZ 3.26Å; D232-Q236 WeakPolarHBondContact O-CB 3.45Å; D232-Q236 PolarHBondContact O-N 3.27Å; D232-K406 HydrophobicContact CB-CD 4.17Å; D232-K406 IonicContact OD1-NZ 3.45Å; D232-K406 PolarHBondContact OD1-NZ 2.93Å; D232-K406 WeakPolarHBondContact OD2-CE 3.4Å; D232-K406 IonicContact OD2-NZ 2.7Å; D232-K406 PolarHBondContact OD2-NZ 3.01Å
233	V	93.2	Very high	95.4	Very high	43 Å²	43	51.9 Å²	51.9	26%	0.261	27%	0.268	S	S	.	.	H	α-helix	trans	-64.1	-45.6	172.2	178.9	0	0	0	0	109.5	H230 K235 Q236 Q237 T314	H230-V233 HydrophobicContact CB-CG2 4.3Å; H230-V233 WeakPolarHBondContact O-CA 3.41Å; H230-V233 WeakPolarHBondContact O-CB 3.38Å; H230-V233 PolarHBondContact O-N 2.85Å; V233-K235 VanDerWaalsContact C-N 3.33Å; V233-K235 PolarHBondContact O-N 2.85Å; V233-Q236 PolarHBondContact O-N 3.32Å; V233-Q236 VanDerWaalsContact O-N 3.08Å; V233-Q237 HydrophobicContact CG1-CG 4.08Å; V233-Q237 WeakPolarHBondContact O-CG 3.47Å; V233-Q237 PolarHBondContact O-N 2.87Å; V233-T314 HydrophobicContact CG1-CG2 4.23Å
234	I	95.8	Very high	95.5	Very high	35 Å²	35	48.2 Å²	48.2	18%	0.179	24%	0.242	C	C	.	.	H	α-helix	trans	-54.6	-48.6	176.5	-57	175.7	0	0	0	110.7	W217 L226 Q229 H230 Q236 Q237 D238	W217-I234 HydrophobicContact CE3-CG2 4.33Å; W217-I234 HydrophobicContact CZ3-CB 4.23Å; W217-I234 HydrophobicContact CZ3-CG1 4.1Å; W217-I234 HydrophobicContact CZ3-CG2 4.11Å; L226-I234 HydrophobicContact CD1-CD1 3.89Å; L226-I234 HydrophobicContact CD1-CG1 4Å; L226-I234 HydrophobicContact CD1-CG2 4.07Å; L226-I234 HydrophobicContact CG-CD1 4.48Å; Q229-I234 HydrophobicContact CB-CD1 4.28Å; Q229-I234 HydrophobicContact CB-CG1 3.84Å; H230-I234 PolarHBondContact O-N 2.88Å; H230-I234 VanDerWaalsContact O-N 3.08Å; I234-Q236 PolarHBondContact O-N 2.64Å; I234-Q237 PolarHBondContact O-N 3.39Å; I234-D238 WeakPolarHBondContact O-CB 3.48Å; I234-D238 VanDerWaalsContact O-CG 3.31Å; I234-D238 PolarHBondContact O-N 3.12Å
235	K	95.1	Very high	95.6	Very high	71 Å²	71	44.2 Å²	44.2	31%	0.309	22%	0.216	S	C	.	.	H	α-helix	trans	-59.8	-45.1	175.6	-66.5	167.7	-162	162.7	0	112.4	K231 D232 V233 D238 V239 N404	K231-K235 WeakPolarHBondContact O-CG 3.37Å; K231-K235 PolarHBondContact O-N 3.23Å; D232-K235 PolarHBondContact O-N 3.21Å; D232-K235 IonicContact OD1-NZ 3.8Å; D232-K235 PolarHBondContact OD1-NZ 3.26Å; V233-K235 VanDerWaalsContact C-N 3.33Å; V233-K235 PolarHBondContact O-N 2.85Å; K235-D238 PolarHBondContact O-N 2.88Å; K235-V239 WeakPolarHBondContact O-CG2 3.37Å; K235-V239 PolarHBondContact O-N 3.08Å; K235-N404 HydrophobicContact CB-CB 4.47Å; K235-N404 VanDerWaalsContact CB-OD1 3.31Å; K235-N404 WeakPolarHBondContact CB-OD1 3.43Å; K235-N404 VanDerWaalsContact CD-OD1 3.26Å; K235-N404 WeakPolarHBondContact CD-OD1 3.35Å
236	Q	95.9	Very high	95.7	Very high	20 Å²	20	43.5 Å²	43.5	9%	0.093	21%	0.214	C	C	.	.	H	α-helix	trans	-62.5	-45.5	-178.8	-166.6	-165.1	5.1	0	0	110.6	D232 V233 I234 V239 I240 I401 N404 T405	D232-Q236 WeakPolarHBondContact O-CB 3.45Å; D232-Q236 PolarHBondContact O-N 3.27Å; V233-Q236 PolarHBondContact O-N 3.32Å; V233-Q236 VanDerWaalsContact O-N 3.08Å; I234-Q236 PolarHBondContact O-N 2.64Å; Q236-V239 PolarHBondContact O-N 3.38Å; Q236-I240 HydrophobicContact CG-CD1 4.03Å; Q236-I240 WeakPolarHBondContact O-CG1 3.31Å; Q236-I240 PolarHBondContact O-N 3.38Å; Q236-I401 HydrophobicContact CG-CG2 4.49Å; Q236-N404 HydrophobicContact CB-CB 4Å; Q236-N404 HydrophobicContact CG-CB 4.35Å; Q236-T405 PolarHBondContact NE2-OG1 2.94Å
237	Q	97.5	Very high	95.8	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.009	20%	0.204	C	C	.	.	H	α-helix	trans	-67.7	-38.1	178.6	-62.3	-55.5	-59.7	0	0	112.5	W217 V233 I234 V239 I240 Y241 T314 V315	W217-Q237 HydrophobicContact CB-CB 4.23Å; W217-Q237 HydrophobicContact CD2-CB 3.31Å; W217-Q237 HydrophobicContact CD2-CG 4.12Å; W217-Q237 VanDerWaalsContact CE2-CB 3.48Å; W217-Q237 HydrophobicContact CE3-CB 3.67Å; W217-Q237 HydrophobicContact CE3-CG 4.45Å; W217-Q237 HydrophobicContact CG-CB 3.57Å; W217-Q237 HydrophobicContact CH2-CB 4.25Å; W217-Q237 HydrophobicContact CH2-CG 4.15Å; W217-Q237 HydrophobicContact CZ2-CB 3.95Å; W217-Q237 HydrophobicContact CZ2-CG 3.79Å; W217-Q237 HydrophobicContact CZ3-CB 4.14Å; W217-Q237 HydrophobicContact CZ3-CG 4.48Å; V233-Q237 HydrophobicContact CG1-CG 4.08Å; V233-Q237 WeakPolarHBondContact O-CG 3.47Å; V233-Q237 PolarHBondContact O-N 2.87Å; I234-Q237 PolarHBondContact O-N 3.39Å; Q237-V239 VanDerWaalsContact C-N 3.3Å; Q237-V239 PolarHBondContact O-N 2.88Å; Q237-I240 PolarHBondContact O-N 3.35Å; Q237-Y241 VanDerWaalsContact O-CB 3.28Å; Q237-Y241 WeakPolarHBondContact O-CB 3.3Å; Q237-Y241 PolarHBondContact O-N 3.07Å; Q237-T314 HydrophobicContact CG-CG2 4.27Å; Q237-V315 PolarHBondContact NE2-O 3.04Å
238	D	97.5	Very high	95.8	Very high	27 Å²	27	34.8 Å²	34.8	14%	0.144	17%	0.172	C	C	.	.	H	α-helix	trans	-55.8	-42.9	172.4	-75.5	-32.3	0	0	0	111.3	W217 S218 I234 K235 E242	W217-D238 PolarHBondContact N-OD1 2.95Å; S218-D238 WeakPolarHBondContact CB-OD1 3.47Å; S218-D238 PolarHBondContact N-OD1 3.03Å; S218-D238 PolarHBondContact OG-OD1 2.93Å; S218-D238 PolarHBondContact OG-OD2 3.38Å; I234-D238 WeakPolarHBondContact O-CB 3.48Å; I234-D238 VanDerWaalsContact O-CG 3.31Å; I234-D238 PolarHBondContact O-N 3.12Å; K235-D238 PolarHBondContact O-N 2.88Å; D238-E242 PolarHBondContact O-N 2.99Å
239	V	97.7	Very high	95.7	Very high	8 Å²	8	31.7 Å²	31.7	5%	0.048	15%	0.15	C	C	.	.	H	α-helix	trans	-76.2	-36.1	179	-171.9	0	0	0	0	112.7	K235 Q236 Q237 Y241 E242 L243 R400 I401	K235-V239 WeakPolarHBondContact O-CG2 3.37Å; K235-V239 PolarHBondContact O-N 3.08Å; Q236-V239 PolarHBondContact O-N 3.38Å; Q237-V239 VanDerWaalsContact C-N 3.3Å; Q237-V239 PolarHBondContact O-N 2.88Å; V239-Y241 VanDerWaalsContact C-N 3.28Å; V239-Y241 PolarHBondContact O-N 3.07Å; V239-E242 WeakPolarHBondContact O-CB 3.41Å; V239-E242 PolarHBondContact O-N 3.46Å; V239-L243 PolarHBondContact O-N 3.05Å; V239-R400 HydrophobicContact CG1-CB 3.73Å; V239-R400 HydrophobicContact CG2-CB 4.34Å; V239-I401 HydrophobicContact CB-CG1 4.09Å; V239-I401 HydrophobicContact CG1-CD1 4.48Å; V239-I401 HydrophobicContact CG1-CG1 3.63Å
240	I	98	Very high	95.8	Very high	3 Å²	3	30 Å²	30	2%	0.015	14%	0.142	C	C	.	.	H	α-helix	trans	-61.7	-42.1	172.6	-68.4	166.6	0	0	0	109.7	Q236 Q237 L243 I244 V315 L318 I401	Q236-I240 HydrophobicContact CG-CD1 4.03Å; Q236-I240 WeakPolarHBondContact O-CG1 3.31Å; Q236-I240 PolarHBondContact O-N 3.38Å; Q237-I240 PolarHBondContact O-N 3.35Å; I240-L243 WeakPolarHBondContact O-CB 3.4Å; I240-L243 PolarHBondContact O-N 3.17Å; I240-I244 HydrophobicContact CG2-CD1 4.11Å; I240-I244 WeakPolarHBondContact O-CG1 3.43Å; I240-I244 PolarHBondContact O-N 3.39Å; I240-I244 VanDerWaalsContact O-N 3.08Å; I240-V315 HydrophobicContact CD1-CB 4.36Å; I240-V315 HydrophobicContact CD1-CG1 4.3Å; I240-V315 HydrophobicContact CG2-CB 4.03Å; I240-V315 HydrophobicContact CG2-CG1 4.06Å; I240-V315 HydrophobicContact CG2-CG2 4.25Å; I240-L318 HydrophobicContact CG1-CD2 4.29Å; I240-L318 HydrophobicContact CG2-CD2 4.4Å; I240-I401 HydrophobicContact CD1-CG2 4.39Å; I240-I401 HydrophobicContact CG1-CD1 3.97Å; I240-I401 HydrophobicContact CG1-CG1 4.06Å; I240-I401 HydrophobicContact CG1-CG2 4.06Å
241	Y	97.4	Very high	96	Very high	5 Å²	5	24.3 Å²	24.3	2%	0.02	12%	0.116	C	C	.	.	H	α-helix	trans	-65.9	-39.3	175.5	-173.1	-91.5	0	0	0	112.5	V212 A214 W217 A220 Q237 V239 L243 I244 Q245 F313	V212-Y241 WeakPolarHBondContact CA-OH 3.4Å; A214-Y241 PolarHBondContact N-OH 3.06Å; A214-Y241 WeakPolarHBondContact O-CE1 3.49Å; A214-Y241 PolarHBondContact O-OH 3Å; W217-Y241 HydrophobicContact CB-CD2 4.43Å; W217-Y241 HydrophobicContact CB-CG 4.08Å; A220-Y241 HydrophobicContact CB-CE2 4.08Å; Q237-Y241 VanDerWaalsContact O-CB 3.28Å; Q237-Y241 WeakPolarHBondContact O-CB 3.3Å; Q237-Y241 PolarHBondContact O-N 3.07Å; V239-Y241 VanDerWaalsContact C-N 3.28Å; V239-Y241 PolarHBondContact O-N 3.07Å; Y241-L243 VanDerWaalsContact C-N 3.28Å; Y241-L243 PolarHBondContact O-N 3.44Å; Y241-I244 PolarHBondContact O-N 2.91Å; Y241-Q245 HydrophobicContact CD1-CB 4.47Å; Y241-Q245 HydrophobicContact CE1-CB 4.35Å; Y241-Q245 VanDerWaalsContact O-CB 3.27Å; Y241-Q245 WeakPolarHBondContact O-CB 3.33Å; Y241-Q245 PolarHBondContact O-N 3.42Å; Y241-F313 HydrophobicContact CD2-CE2 4.5Å; Y241-F313 AromaticContact CD2-CZ 3.92Å; Y241-F313 HydrophobicContact CD2-CZ 3.92Å; Y241-F313 HydrophobicContact CE2-CZ 4.19Å
242	E	97.8	Very high	96	Very high	27 Å²	27	18.3 Å²	18.3	13%	0.126	9%	0.089	C	C	.	.	H	α-helix	trans	-57.2	-40.1	171.4	-171.1	-174.5	144.8	0	0	111.7	D238 V239 T246 L397 R400	D238-E242 PolarHBondContact O-N 2.99Å; V239-E242 WeakPolarHBondContact O-CB 3.41Å; V239-E242 PolarHBondContact O-N 3.46Å; E242-T246 HydrophobicContact CG-CG2 4.43Å; E242-T246 VanDerWaalsContact O-CB 3.27Å; E242-T246 WeakPolarHBondContact O-CB 3.32Å; E242-T246 WeakPolarHBondContact O-CG2 3.5Å; E242-T246 PolarHBondContact O-N 3Å; E242-T246 PolarHBondContact O-OG1 2.85Å; E242-L397 HydrophobicContact CB-CD2 4.38Å; E242-L397 HydrophobicContact CG-CD2 3.91Å; E242-L397 VanDerWaalsContact OE1-CD2 3.31Å; E242-L397 WeakPolarHBondContact OE1-CD2 3.47Å; E242-R400 IonicContact OE1-CZ 4Å; E242-R400 IonicContact OE1-NH1 3.34Å; E242-R400 PolarHBondContact OE1-NH1 3.45Å; E242-R400 IonicContact OE1-NH2 3.68Å; E242-R400 IonicContact OE2-CZ 2.78Å; E242-R400 VanDerWaalsContact OE2-CZ 3.22Å; E242-R400 IonicContact OE2-NH1 3.63Å; E242-R400 PolarHBondContact OE2-NH1 3.05Å; E242-R400 IonicContact OE2-NH2 2.8Å; E242-R400 PolarHBondContact OE2-NH2 3.19Å
243	L	98.3	Very high	96.2	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-62.9	-50.7	173.2	175.4	67.2	0	0	0	111.9	V239 I240 Y241 T246 E247 L297 L318 L322 R390 Y394 L397 I401	V239-L243 PolarHBondContact O-N 3.05Å; I240-L243 WeakPolarHBondContact O-CB 3.4Å; I240-L243 PolarHBondContact O-N 3.17Å; Y241-L243 VanDerWaalsContact C-N 3.28Å; Y241-L243 PolarHBondContact O-N 3.44Å; L243-T246 PolarHBondContact O-N 3.41Å; L243-T246 PolarHBondContact O-OG1 3Å; L243-E247 WeakPolarHBondContact O-CB 3.48Å; L243-E247 PolarHBondContact O-N 2.88Å; L243-L297 HydrophobicContact CD2-CD2 4.43Å; L243-L297 HydrophobicContact CG-CD1 4.48Å; L243-L318 HydrophobicContact CD2-CD2 3.9Å; L243-L322 HydrophobicContact CD2-CD2 4.21Å; L243-R390 PolarHBondContact O-NH2 3.37Å; L243-Y394 HydrophobicContact CD1-CD1 3.9Å; L243-Y394 HydrophobicContact CD1-CE1 4.13Å; L243-L397 HydrophobicContact CB-CD1 4.43Å; L243-L397 HydrophobicContact CD1-CB 4.42Å; L243-L397 HydrophobicContact CD1-CD1 3.76Å; L243-I401 HydrophobicContact CD2-CD1 4.19Å
244	I	97.4	Very high	96.4	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.01	8%	0.078	C	C	.	.	H	α-helix	trans	-61.5	-48.6	-179	-59.6	171	0	0	0	110.8	V212 I240 Y241 E247 F248 L297 L298 R301	V212-I244 HydrophobicContact CG1-CG2 4.18Å; I240-I244 HydrophobicContact CG2-CD1 4.11Å; I240-I244 WeakPolarHBondContact O-CG1 3.43Å; I240-I244 PolarHBondContact O-N 3.39Å; I240-I244 VanDerWaalsContact O-N 3.08Å; Y241-I244 PolarHBondContact O-N 2.91Å; I244-E247 PolarHBondContact O-N 2.98Å; I244-F248 PolarHBondContact O-N 2.82Å; I244-L297 HydrophobicContact CG1-CB 4.21Å; I244-L297 HydrophobicContact CG1-CD1 4.5Å; I244-L298 HydrophobicContact CG2-CD2 3.86Å; I244-R301 HydrophobicContact CD1-CB 4.41Å
245	Q	96	Very high	96.3	Very high	22 Å²	22	16.8 Å²	16.8	10%	0.103	8%	0.077	C	C	.	.	H	α-helix	trans	-66.5	-38.7	-179.2	-177.2	-175.3	71.5	0	0	111.9	V212 A214 Y241 E247 H249	V212-Q245 HydrophobicContact CB-CB 4.36Å; V212-Q245 HydrophobicContact CB-CG 4.29Å; V212-Q245 PolarHBondContact O-NE2 2.93Å; A214-Q245 PolarHBondContact O-NE2 3.11Å; Y241-Q245 HydrophobicContact CD1-CB 4.47Å; Y241-Q245 HydrophobicContact CE1-CB 4.35Å; Y241-Q245 VanDerWaalsContact O-CB 3.27Å; Y241-Q245 WeakPolarHBondContact O-CB 3.33Å; Y241-Q245 PolarHBondContact O-N 3.42Å; Q245-E247 VanDerWaalsContact C-N 3.33Å; Q245-H249 PolarHBondContact O-N 3.46Å; Q245-H249 PolarHBondContact O-ND1 3.39Å
246	T	96.5	Very high	96.1	Very high	8 Å²	8	14.2 Å²	14.2	5%	0.049	7%	0.067	C	C	.	.	H	α-helix	trans	-74.6	-23.2	175.8	59.8	0	0	0	0	112.8	E242 L243 H250 R390	E242-T246 HydrophobicContact CG-CG2 4.43Å; E242-T246 VanDerWaalsContact O-CB 3.27Å; E242-T246 WeakPolarHBondContact O-CB 3.32Å; E242-T246 WeakPolarHBondContact O-CG2 3.5Å; E242-T246 PolarHBondContact O-N 3Å; E242-T246 PolarHBondContact O-OG1 2.85Å; L243-T246 PolarHBondContact O-N 3.41Å; L243-T246 PolarHBondContact O-OG1 3Å; T246-H250 PolarHBondContact O-N 3.45Å; T246-H250 VanDerWaalsContact O-N 3.14Å; T246-R390 PolarHBondContact OG1-NH1 3.25Å; T246-R390 PolarHBondContact OG1-NH2 2.9Å
247	E	97.9	Very high	96.1	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-72.9	-45.1	170.4	-164.8	61.6	-158.5	0	0	111.2	L243 I244 Q245 H249 H250 V251 H290 F293 L294 L297 R390 Y394	L243-E247 WeakPolarHBondContact O-CB 3.48Å; L243-E247 PolarHBondContact O-N 2.88Å; I244-E247 PolarHBondContact O-N 2.98Å; Q245-E247 VanDerWaalsContact C-N 3.33Å; E247-H249 VanDerWaalsContact C-N 3.27Å; E247-H249 PolarHBondContact O-N 3.16Å; E247-H250 WeakPolarHBondContact O-CA 3.31Å; E247-H250 WeakPolarHBondContact O-CB 3.49Å; E247-H250 PolarHBondContact O-N 3.24Å; E247-H250 IonicContact OE1-CD2 3.73Å; E247-V251 PolarHBondContact O-N 2.86Å; E247-H290 IonicContact OE1-CE1 2.74Å; E247-H290 IonicContact OE1-CG 3.85Å; E247-H290 IonicContact OE1-ND1 2.72Å; E247-H290 PolarHBondContact OE1-ND1 3.46Å; E247-F293 HydrophobicContact CG-CD1 3.92Å; E247-F293 HydrophobicContact CG-CE1 4.43Å; E247-L294 HydrophobicContact CB-CD1 4.27Å; E247-L294 HydrophobicContact CG-CB 4.06Å; E247-L294 HydrophobicContact CG-CD1 4.37Å; E247-L297 HydrophobicContact CB-CD1 4.12Å; E247-L297 HydrophobicContact CG-CD1 4.2Å; E247-R390 VanDerWaalsContact N-NH2 3.14Å; E247-R390 IonicContact OE2-CZ 3.47Å; E247-R390 IonicContact OE2-NE 3.44Å; E247-R390 PolarHBondContact OE2-NE 3.41Å; E247-R390 IonicContact OE2-NH2 2.7Å; E247-R390 PolarHBondContact OE2-NH2 2.69Å; E247-Y394 PolarHBondContact OE1-OH 3.04Å; E247-Y394 WeakPolarHBondContact OE2-CE1 3.14Å; E247-Y394 PolarHBondContact OE2-OH 2.89Å
248	F	95.9	Very high	96	Very high	7 Å²	7	16.1 Å²	16.1	3%	0.031	8%	0.076	C	C	.	.	H	α-helix	trans	-54.7	-45	171.7	175.1	-96.2	0	0	0	111.7	E208 V212 I244 H250 V251 R252 L294	E208-F248 HydrophobicContact CB-CE2 3.84Å; E208-F248 HydrophobicContact CB-CZ 4.37Å; V212-F248 HydrophobicContact CG2-CB 3.95Å; V212-F248 HydrophobicContact CG2-CD1 3.54Å; V212-F248 HydrophobicContact CG2-CD2 4.32Å; V212-F248 HydrophobicContact CG2-CE1 4.18Å; V212-F248 HydrophobicContact CG2-CG 3.63Å; I244-F248 PolarHBondContact O-N 2.82Å; F248-H250 VanDerWaalsContact C-N 3.29Å; F248-H250 PolarHBondContact O-N 3.01Å; F248-V251 PolarHBondContact O-N 3.09Å; F248-R252 VanDerWaalsContact O-CB 3.25Å; F248-R252 WeakPolarHBondContact O-CB 3.26Å; F248-R252 PolarHBondContact O-N 2.96Å; F248-L294 HydrophobicContact CB-CD1 4.05Å; F248-L294 HydrophobicContact CB-CD2 4.38Å; F248-L294 HydrophobicContact CD2-CD2 4.12Å
249	H	92.9	Very high	95.7	Very high	36 Å²	36	15.2 Å²	15.2	17%	0.167	7%	0.073	C	C	.	.	H	α-helix	trans	-63.2	-31.7	175.8	-79	122.6	0	0	0	113.9	Q245 E247 T253 R376	Q245-H249 PolarHBondContact O-N 3.46Å; Q245-H249 PolarHBondContact O-ND1 3.39Å; E247-H249 VanDerWaalsContact C-N 3.27Å; E247-H249 PolarHBondContact O-N 3.16Å; H249-T253 PolarHBondContact O-N 2.88Å; H249-T253 VanDerWaalsContact O-N 3.1Å; H249-T253 PolarHBondContact O-OG1 3.45Å; H249-R376 PolarHBondContact CD2-NH1 3.39Å; H249-R376 PolarHBondContact NE2-NH1 2.98Å
250	H	96.4	Very high	95.4	Very high	9 Å²	9	15.7 Å²	15.7	4%	0.042	8%	0.076	C	C	.	.	H	α-helix	trans	-74.6	-47.5	176.1	177.3	67.7	0	0	0	111.9	T246 E247 F248 R252 T253 L254 H290 R390	T246-H250 PolarHBondContact O-N 3.45Å; T246-H250 VanDerWaalsContact O-N 3.14Å; E247-H250 WeakPolarHBondContact O-CA 3.31Å; E247-H250 WeakPolarHBondContact O-CB 3.49Å; E247-H250 PolarHBondContact O-N 3.24Å; E247-H250 IonicContact OE1-CD2 3.73Å; F248-H250 VanDerWaalsContact C-N 3.29Å; F248-H250 PolarHBondContact O-N 3.01Å; H250-R252 VanDerWaalsContact C-N 3.32Å; H250-R252 PolarHBondContact O-N 2.89Å; H250-T253 WeakPolarHBondContact O-CA 3.43Å; H250-T253 WeakPolarHBondContact O-CB 3.42Å; H250-T253 PolarHBondContact O-N 3.04Å; H250-L254 PolarHBondContact O-N 2.94Å; H250-H290 AromaticContact CD2-CD2 3.75Å; H250-H290 AromaticContact CD2-CE1 3.57Å; H250-H290 AromaticContact CD2-CG 3.39Å; H250-H290 AromaticContact CD2-ND1 3.28Å; H250-H290 PolarHBondContact CD2-ND1 2.79Å; H250-H290 VanDerWaalsContact CD2-ND1 3.28Å; H250-H290 AromaticContact CD2-NE2 3.84Å; H250-H290 AromaticContact NE2-CD2 3.15Å; H250-H290 PolarHBondContact NE2-CD2 3.44Å; H250-H290 AromaticContact NE2-CE1 3.19Å; H250-H290 PolarHBondContact NE2-CE1 3.49Å; H250-H290 AromaticContact NE2-CG 3.32Å; H250-H290 VanDerWaalsContact NE2-CG 3.32Å; H250-H290 AromaticContact NE2-ND1 3.34Å; H250-H290 PolarHBondContact NE2-ND1 3.04Å; H250-H290 AromaticContact NE2-NE2 3.05Å; H250-H290 PolarHBondContact NE2-NE2 3.24Å; H250-R390 HydrophobicContact CB-CG 4.32Å
251	V	96.6	Very high	95.2	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.012	8%	0.075	C	C	.	.	H	α-helix	trans	-58	-44.1	172.9	173.5	0	0	0	0	111.1	E247 F248 T253 L254 R255 L287 H290 A291 L294	E247-V251 PolarHBondContact O-N 2.86Å; F248-V251 PolarHBondContact O-N 3.09Å; V251-T253 VanDerWaalsContact C-N 3.27Å; V251-T253 PolarHBondContact O-N 3.36Å; V251-L254 PolarHBondContact O-N 2.93Å; V251-L254 VanDerWaalsContact O-N 3.15Å; V251-R255 PolarHBondContact O-N 3.09Å; V251-L287 HydrophobicContact CG1-CD1 4.03Å; V251-H290 VanDerWaalsContact CG2-C 3.47Å; V251-H290 HydrophobicContact CG2-CB 3.78Å; V251-H290 WeakPolarHBondContact CG2-O 3.45Å; V251-A291 HydrophobicContact CG1-CB 4.32Å; V251-L294 HydrophobicContact CB-CD2 3.88Å; V251-L294 HydrophobicContact CG1-CD2 4.06Å; V251-L294 HydrophobicContact CG2-CB 4.09Å; V251-L294 HydrophobicContact CG2-CD2 3.8Å
252	R	92.9	Very high	95.1	Very high	34 Å²	34	17 Å²	17	13%	0.128	8%	0.081	C	C	.	.	H	α-helix	trans	-58.7	-36	172	173	168.2	172.2	156.3	0.3	112.9	L205 F248 H250 I256	L205-R252 HydrophobicContact CD1-CG 4.34Å; L205-R252 HydrophobicContact CD2-CB 3.95Å; L205-R252 HydrophobicContact CD2-CG 3.88Å; F248-R252 VanDerWaalsContact O-CB 3.25Å; F248-R252 WeakPolarHBondContact O-CB 3.26Å; F248-R252 PolarHBondContact O-N 2.96Å; H250-R252 VanDerWaalsContact C-N 3.32Å; H250-R252 PolarHBondContact O-N 2.89Å; R252-I256 HydrophobicContact CG-CD1 3.98Å; R252-I256 WeakPolarHBondContact O-CB 3.45Å; R252-I256 WeakPolarHBondContact O-CD1 3.33Å; R252-I256 VanDerWaalsContact O-CG1 3.22Å; R252-I256 WeakPolarHBondContact O-CG1 3.26Å; R252-I256 PolarHBondContact O-N 3.23Å
253	T	93.7	Very high	95	Very high	24 Å²	24	20.7 Å²	20.7	15%	0.147	9%	0.093	C	C	.	.	H	α-helix	trans	-68.5	-40.4	176.2	-58.2	0	0	0	0	111.1	H249 H250 V251 I256 M257 C383 L386	H249-T253 PolarHBondContact O-N 2.88Å; H249-T253 VanDerWaalsContact O-N 3.1Å; H249-T253 PolarHBondContact O-OG1 3.45Å; H250-T253 WeakPolarHBondContact O-CA 3.43Å; H250-T253 WeakPolarHBondContact O-CB 3.42Å; H250-T253 PolarHBondContact O-N 3.04Å; V251-T253 VanDerWaalsContact C-N 3.27Å; V251-T253 PolarHBondContact O-N 3.36Å; T253-I256 PolarHBondContact O-N 2.88Å; T253-M257 HydrophobicContact CG2-SD 4.35Å; T253-M257 WeakPolarHBondContact O-CG 3.5Å; T253-M257 PolarHBondContact O-N 3.33Å; T253-C383 HydrophobicContact CG2-CB 4.02Å; T253-L386 HydrophobicContact CG2-CB 4.46Å; T253-L386 HydrophobicContact CG2-CD1 4.18Å
254	L	96.4	Very high	94.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-65.9	-47.2	175.4	-68.2	166.8	0	0	0	112	H250 V251 I256 M257 E258 L283 L286 L287 H290 V387	H250-L254 PolarHBondContact O-N 2.94Å; V251-L254 PolarHBondContact O-N 2.93Å; V251-L254 VanDerWaalsContact O-N 3.15Å; L254-I256 VanDerWaalsContact C-N 3.27Å; L254-I256 PolarHBondContact O-N 3.15Å; L254-M257 HydrophobicContact CD2-SD 4.5Å; L254-M257 WeakPolarHBondContact O-CB 3.34Å; L254-M257 PolarHBondContact O-N 3.13Å; L254-E258 PolarHBondContact O-N 2.96Å; L254-L283 HydrophobicContact CB-CD1 4.49Å; L254-L283 HydrophobicContact CD2-CD1 3.73Å; L254-L286 HydrophobicContact CD2-CB 4.31Å; L254-L287 HydrophobicContact CB-CB 4.2Å; L254-L287 HydrophobicContact CB-CD1 3.85Å; L254-H290 HydrophobicContact CD1-CB 4.02Å; L254-V387 HydrophobicContact CD2-CG1 4.3Å; L254-V387 HydrophobicContact CD2-CG2 3.58Å; L254-V387 HydrophobicContact CG-CG2 4.34Å
255	R	94.3	Very high	94.6	Very high	45 Å²	45	20.6 Å²	20.6	17%	0.17	9%	0.093	C	C	.	.	H	α-helix	trans	-59.4	-34.3	173.4	-73.1	-162.8	-172.2	158.1	2.9	112.9	E204 L205 E208 V251 G259 L287	E204-R255 IonicContact OE1-CZ 2.81Å; E204-R255 VanDerWaalsContact OE1-CZ 3.29Å; E204-R255 IonicContact OE1-NE 2.98Å; E204-R255 IonicContact OE1-NH1 3.87Å; E204-R255 PolarHBondContact OE1-NH1 2.9Å; E204-R255 IonicContact OE1-NH2 3.71Å; L205-R255 HydrophobicContact CD1-CB 4.45Å; L205-R255 HydrophobicContact CD2-CB 4.34Å; E208-R255 IonicContact OE1-CZ 3.88Å; E208-R255 IonicContact OE1-NH1 3.43Å; E208-R255 PolarHBondContact OE1-NH1 3.48Å; E208-R255 VanDerWaalsContact OE1-NH1 3.09Å; E208-R255 IonicContact OE1-NH2 2.88Å; E208-R255 PolarHBondContact OE1-NH2 3.36Å; E208-R255 IonicContact OE2-CZ 2.6Å; E208-R255 IonicContact OE2-NH1 2.66Å; E208-R255 PolarHBondContact OE2-NH1 2.96Å; E208-R255 IonicContact OE2-NH2 3.22Å; E208-R255 PolarHBondContact OE2-NH2 3.18Å; V251-R255 PolarHBondContact O-N 3.09Å; R255-G259 PolarHBondContact O-N 3.34Å; R255-L287 HydrophobicContact CG-CD1 3.64Å; R255-L287 HydrophobicContact CG-CD2 4.08Å
256	I	91.8	Very high	94.6	Very high	17 Å²	17	23 Å²	23	9%	0.087	10%	0.104	C	C	.	.	H	α-helix	trans	-69.6	-40	172.8	-76	168.9	0	0	0	111.8	L205 R252 T253 L254 E258 V260 Y261 L375	L205-I256 HydrophobicContact CD1-CG1 4.22Å; R252-I256 HydrophobicContact CG-CD1 3.98Å; R252-I256 WeakPolarHBondContact O-CB 3.45Å; R252-I256 WeakPolarHBondContact O-CD1 3.33Å; R252-I256 VanDerWaalsContact O-CG1 3.22Å; R252-I256 WeakPolarHBondContact O-CG1 3.26Å; R252-I256 PolarHBondContact O-N 3.23Å; T253-I256 PolarHBondContact O-N 2.88Å; L254-I256 VanDerWaalsContact C-N 3.27Å; L254-I256 PolarHBondContact O-N 3.15Å; I256-E258 VanDerWaalsContact C-N 3.28Å; I256-E258 PolarHBondContact O-N 3.18Å; I256-V260 WeakPolarHBondContact O-CB 3.32Å; I256-V260 PolarHBondContact O-N 3.12Å; I256-Y261 HydrophobicContact CG2-CD2 4.46Å; I256-Y261 HydrophobicContact CG2-CE2 4.37Å; I256-Y261 PolarHBondContact O-N 2.91Å; I256-Y261 VanDerWaalsContact O-N 3.13Å; I256-L375 HydrophobicContact CG2-CD2 3.45Å; I256-L375 VanDerWaalsContact CG2-CD2 3.45Å
257	M	95	Very high	94.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.125	C	C	.	.	I	π-helix	trans	-62.7	-37.4	175.1	-73.4	169	63.8	0	0	111.6	T253 L254 R262 F280 L283 F341 C383 I384 V387	T253-M257 HydrophobicContact CG2-SD 4.35Å; T253-M257 WeakPolarHBondContact O-CG 3.5Å; T253-M257 PolarHBondContact O-N 3.33Å; L254-M257 HydrophobicContact CD2-SD 4.5Å; L254-M257 WeakPolarHBondContact O-CB 3.34Å; L254-M257 PolarHBondContact O-N 3.13Å; M257-R262 VanDerWaalsContact O-CB 3.3Å; M257-R262 WeakPolarHBondContact O-CB 3.41Å; M257-R262 PolarHBondContact O-N 2.95Å; M257-F280 HydrophobicContact CB-CE1 4.35Å; M257-F280 HydrophobicContact CE-CD1 3.7Å; M257-F280 HydrophobicContact CE-CE1 3.96Å; M257-F280 HydrophobicContact CG-CE1 4.36Å; M257-L283 HydrophobicContact CB-CD1 3.94Å; M257-L283 HydrophobicContact CB-CD2 4.03Å; M257-L283 HydrophobicContact CE-CD1 4.18Å; M257-F341 HydrophobicContact CE-CE2 4.5Å; M257-F341 HydrophobicContact CE-CZ 4.18Å; M257-C383 HydrophobicContact CG-CB 3.65Å; M257-C383 HydrophobicContact SD-CB 3.67Å; M257-I384 HydrophobicContact CE-CG1 3.94Å; M257-V387 HydrophobicContact CE-CG2 4.18Å; M257-V387 HydrophobicContact SD-CG2 3.67Å
258	E	95.3	Very high	94.2	Very high	62 Å²	62	30.7 Å²	30.7	29%	0.29	14%	0.14	S	C	.	.	I	π-helix	trans	-72.3	-72.6	173.2	167.5	176.2	-130.4	0	0	111.7	L254 I256 V260 R262 R263 L283 L287	L254-E258 PolarHBondContact O-N 2.96Å; I256-E258 VanDerWaalsContact C-N 3.28Å; I256-E258 PolarHBondContact O-N 3.18Å; E258-V260 PolarHBondContact O-N 3.47Å; E258-R262 WeakPolarHBondContact O-CB 3.28Å; E258-R262 PolarHBondContact O-N 3.14Å; E258-R262 IonicContact OE1-CZ 2.77Å; E258-R262 IonicContact OE1-NH2 3.58Å; E258-R262 PolarHBondContact OE1-NH2 3.21Å; E258-R263 WeakPolarHBondContact O-CB 3.32Å; E258-R263 PolarHBondContact O-N 3.34Å; E258-L283 HydrophobicContact CB-CD2 4.13Å; E258-L287 WeakPolarHBondContact OE2-CD2 3.49Å
259	G	92.6	Very high	94.2	Very high	9 Å²	9	30.5 Å²	30.5	9%	0.093	14%	0.139	C	C	.	.	I	π-helix	trans	-85.4	2.7	-158.9	0	0	0	0	0	113.6	W197 R255	W197-G259 WeakPolarHBondContact CH2-O 3.46Å; W197-G259 WeakPolarHBondContact CZ3-O 3.22Å; R255-G259 PolarHBondContact O-N 3.34Å
260	V	91.1	Very high	94.3	Very high	17 Å²	17	34.5 Å²	34.5	10%	0.103	16%	0.161	C	C	.	.	I	π-helix	trans	-122.7	-60.8	168.3	-168.2	0	0	0	0	109.5	W198 L201 I256 E258 G264 F365 V369	W198-V260 HydrophobicContact CB-CG2 4.24Å; W198-V260 HydrophobicContact CD2-CG1 4.18Å; W198-V260 HydrophobicContact CE3-CG1 3.92Å; L201-V260 HydrophobicContact CD2-CG2 4.4Å; I256-V260 WeakPolarHBondContact O-CB 3.32Å; I256-V260 PolarHBondContact O-N 3.12Å; E258-V260 PolarHBondContact O-N 3.47Å; V260-G264 WeakPolarHBondContact O-CA 3.3Å; V260-G264 PolarHBondContact O-N 3.07Å; V260-F365 WeakPolarHBondContact O-CZ 3.39Å; V260-V369 HydrophobicContact CG1-CG1 3.39Å; V260-V369 HydrophobicContact CG1-CG2 4.33Å
261	Y	93.5	Very high	94.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.166	C	C	.	.	I	π-helix	trans	-75.2	-56.9	-172.4	-70.5	-45.8	0	0	0	114.7	I256 M265 F280 F365 I366 V369 L375 H378 G379 V380	I256-Y261 HydrophobicContact CG2-CD2 4.46Å; I256-Y261 HydrophobicContact CG2-CE2 4.37Å; I256-Y261 PolarHBondContact O-N 2.91Å; I256-Y261 VanDerWaalsContact O-N 3.13Å; Y261-M265 WeakPolarHBondContact O-CB 3.33Å; Y261-M265 WeakPolarHBondContact O-CG 3.19Å; Y261-M265 PolarHBondContact O-N 2.91Å; Y261-F280 HydrophobicContact CG-CZ 4.48Å; Y261-F365 HydrophobicContact CD1-CE1 4.37Å; Y261-I366 HydrophobicContact CD1-CD1 3.97Å; Y261-I366 HydrophobicContact CE1-CD1 3.9Å; Y261-V369 HydrophobicContact CE1-CG1 4.39Å; Y261-L375 HydrophobicContact CE1-CD1 4.3Å; Y261-L375 HydrophobicContact CE2-CD2 4.06Å; Y261-L375 WeakPolarHBondContact OH-CD1 3.46Å; Y261-H378 PolarHBondContact OH-O 2.94Å; Y261-H378 VanDerWaalsContact OH-O 3.08Å; Y261-G379 WeakPolarHBondContact OH-CA 3.35Å; Y261-V380 HydrophobicContact CD1-CG2 3.75Å; Y261-V380 HydrophobicContact CD2-CG2 3.86Å; Y261-V380 HydrophobicContact CE1-CG2 3.9Å; Y261-V380 HydrophobicContact CE2-CG2 3.98Å; Y261-V380 HydrophobicContact CG-CG2 3.74Å
262	R	95.8	Very high	94.1	Very high	37 Å²	37	42 Å²	42	14%	0.14	20%	0.197	C	C	.	.	I	π-helix	trans	-59.7	-54	179.8	165.9	174.6	79.3	171.5	8.2	110.2	M257 E258 G264 M265 Q266 V276 F280 L283 D284	M257-R262 VanDerWaalsContact O-CB 3.3Å; M257-R262 WeakPolarHBondContact O-CB 3.41Å; M257-R262 PolarHBondContact O-N 2.95Å; E258-R262 WeakPolarHBondContact O-CB 3.28Å; E258-R262 PolarHBondContact O-N 3.14Å; E258-R262 IonicContact OE1-CZ 2.77Å; E258-R262 IonicContact OE1-NH2 3.58Å; E258-R262 PolarHBondContact OE1-NH2 3.21Å; R262-G264 PolarHBondContact O-N 2.69Å; R262-M265 WeakPolarHBondContact O-CB 3.38Å; R262-M265 PolarHBondContact O-N 3.26Å; R262-Q266 VanDerWaalsContact CG-OE1 3.23Å; R262-Q266 WeakPolarHBondContact O-CG 3.46Å; R262-Q266 PolarHBondContact O-N 3.06Å; R262-Q266 VanDerWaalsContact O-N 3.08Å; R262-Q266 PolarHBondContact O-OE1 2.8Å; R262-V276 HydrophobicContact CB-CG1 4.25Å; R262-V276 HydrophobicContact CG-CG1 3.92Å; R262-F280 HydrophobicContact CB-CD2 3.95Å; R262-F280 HydrophobicContact CB-CE2 4.27Å; R262-L283 HydrophobicContact CB-CD2 4.43Å; R262-D284 IonicContact CZ-OD1 3.33Å; R262-D284 IonicContact CZ-OD2 3.06Å; R262-D284 IonicContact NH1-OD1 2.93Å; R262-D284 PolarHBondContact NH1-OD1 3.46Å; R262-D284 IonicContact NH1-OD2 2.78Å; R262-D284 PolarHBondContact NH1-OD2 2.88Å; R262-D284 IonicContact NH2-OD1 3.61Å; R262-D284 PolarHBondContact NH2-OD1 3.35Å
263	R	94.4	Very high	94	Very high	103 Å²	103	43.3 Å²	43.3	39%	0.389	21%	0.214	S	C	.	.	H	α-helix	trans	-62.9	-42.2	-177.1	-173.6	168.1	175	-134.8	-22	112.2	W197 E258 M265 Q266 E267	W197-R263 HydrophobicContact CH2-CB 3.71Å; W197-R263 HydrophobicContact CH2-CG 3.66Å; W197-R263 HydrophobicContact CZ3-CB 4Å; W197-R263 HydrophobicContact CZ3-CG 3.67Å; E258-R263 WeakPolarHBondContact O-CB 3.32Å; E258-R263 PolarHBondContact O-N 3.34Å; R263-M265 PolarHBondContact O-N 3.23Å; R263-Q266 PolarHBondContact O-N 2.94Å; R263-Q266 VanDerWaalsContact O-N 3.16Å; R263-E267 HydrophobicContact CG-CG 4.31Å; R263-E267 VanDerWaalsContact CG-OE1 3.27Å; R263-E267 WeakPolarHBondContact CG-OE1 3.49Å; R263-E267 IonicContact CZ-OE1 3.78Å; R263-E267 IonicContact CZ-OE2 3.53Å; R263-E267 IonicContact NE-OE1 3.86Å; R263-E267 PolarHBondContact NE-OE1 3.36Å; R263-E267 IonicContact NE-OE2 2.66Å; R263-E267 PolarHBondContact NE-OE2 3.48Å; R263-E267 IonicContact NH2-OE1 2.7Å; R263-E267 IonicContact NH2-OE2 2.63Å; R263-E267 PolarHBondContact NH2-OE2 2.96Å; R263-E267 WeakPolarHBondContact O-CB 3.48Å; R263-E267 PolarHBondContact O-N 2.88Å
264	G	93.1	Very high	94	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-68.9	-32.2	175.6	0	0	0	0	0	114.5	V260 R262 Q266 E268 V269	V260-G264 WeakPolarHBondContact O-CA 3.3Å; V260-G264 PolarHBondContact O-N 3.07Å; R262-G264 PolarHBondContact O-N 2.69Å; G264-Q266 VanDerWaalsContact C-N 3.29Å; G264-Q266 PolarHBondContact O-N 3.42Å; G264-E268 WeakPolarHBondContact O-CB 3.31Å; G264-E268 PolarHBondContact O-N 3.28Å; G264-E268 VanDerWaalsContact O-N 3.09Å; G264-V269 PolarHBondContact O-N 3.38Å
265	M	95.7	Very high	93.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.3	-33.6	170.2	-77.4	-176.8	-153	0	0	112.4	Y261 R262 R263 L270 L271 V276 I279 F280 Y352 L362 F365 I366 V380	Y261-M265 WeakPolarHBondContact O-CB 3.33Å; Y261-M265 WeakPolarHBondContact O-CG 3.19Å; Y261-M265 PolarHBondContact O-N 2.91Å; R262-M265 WeakPolarHBondContact O-CB 3.38Å; R262-M265 PolarHBondContact O-N 3.26Å; R263-M265 PolarHBondContact O-N 3.23Å; M265-L270 PolarHBondContact O-N 3.04Å; M265-L271 HydrophobicContact CB-CD1 4.08Å; M265-L271 HydrophobicContact CG-CD1 4.07Å; M265-L271 WeakPolarHBondContact O-CB 3.42Å; M265-L271 PolarHBondContact O-N 3.21Å; M265-L271 HydrophobicContact SD-CD1 4.24Å; M265-V276 HydrophobicContact CB-CG1 4.15Å; M265-V276 HydrophobicContact CB-CG2 3.83Å; M265-V276 HydrophobicContact SD-CG1 4.43Å; M265-I279 HydrophobicContact SD-CD1 4.36Å; M265-F280 HydrophobicContact CE-CE2 3.82Å; M265-F280 HydrophobicContact CE-CZ 4.02Å; M265-F280 HydrophobicContact SD-CE2 3.92Å; M265-Y352 HydrophobicContact CE-CD2 4.2Å; M265-Y352 HydrophobicContact CE-CE2 3.98Å; M265-L362 HydrophobicContact CE-CD1 4.25Å; M265-L362 HydrophobicContact CG-CD1 3.83Å; M265-L362 HydrophobicContact SD-CD1 4.34Å; M265-F365 HydrophobicContact CG-CE1 4.37Å; M265-I366 HydrophobicContact CE-CD1 4.34Å; M265-V380 HydrophobicContact CE-CG2 3.73Å
266	Q	94.9	Very high	93.9	Very high	72 Å²	72	43.3 Å²	43.3	34%	0.336	23%	0.226	S	C	.	.	H	α-helix	trans	-83.8	-46.1	-179.8	-68.7	170	-56.8	0	0	112.6	R262 R263 G264 L270 V276	R262-Q266 VanDerWaalsContact CG-OE1 3.23Å; R262-Q266 WeakPolarHBondContact O-CG 3.46Å; R262-Q266 PolarHBondContact O-N 3.06Å; R262-Q266 VanDerWaalsContact O-N 3.08Å; R262-Q266 PolarHBondContact O-OE1 2.8Å; R263-Q266 PolarHBondContact O-N 2.94Å; R263-Q266 VanDerWaalsContact O-N 3.16Å; G264-Q266 VanDerWaalsContact C-N 3.29Å; G264-Q266 PolarHBondContact O-N 3.42Å; Q266-L270 WeakPolarHBondContact O-CA 3.4Å; Q266-V276 HydrophobicContact CG-CB 4.19Å; Q266-V276 HydrophobicContact CG-CG1 4.15Å; Q266-V276 HydrophobicContact CG-CG2 4Å
267	E	94.3	Very high	94	Very high	104 Å²	104	47.3 Å²	47.3	49%	0.486	24%	0.244	S	C	.	.	H	α-helix	trans	-91.6	-40.1	-171.1	-68.4	176.3	-156.5	0	0	113.9	R263 L270	R263-E267 HydrophobicContact CG-CG 4.31Å; R263-E267 VanDerWaalsContact CG-OE1 3.27Å; R263-E267 WeakPolarHBondContact CG-OE1 3.49Å; R263-E267 IonicContact CZ-OE1 3.78Å; R263-E267 IonicContact CZ-OE2 3.53Å; R263-E267 IonicContact NE-OE1 3.86Å; R263-E267 PolarHBondContact NE-OE1 3.36Å; R263-E267 IonicContact NE-OE2 2.66Å; R263-E267 PolarHBondContact NE-OE2 3.48Å; R263-E267 IonicContact NH2-OE1 2.7Å; R263-E267 IonicContact NH2-OE2 2.63Å; R263-E267 PolarHBondContact NH2-OE2 2.96Å; R263-E267 WeakPolarHBondContact O-CB 3.48Å; R263-E267 PolarHBondContact O-N 2.88Å; E267-L270 WeakPolarHBondContact O-CD2 3.34Å
268	E	92.3	Very high	94	Very high	67 Å²	67	49.1 Å²	49.1	31%	0.313	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-48.1	-179.2	-167.8	-166	146	0	0	112.1	G264 F365 R368	G264-E268 WeakPolarHBondContact O-CB 3.31Å; G264-E268 PolarHBondContact O-N 3.28Å; G264-E268 VanDerWaalsContact O-N 3.09Å; E268-F365 WeakPolarHBondContact OE2-CD2 3.35Å; E268-R368 IonicContact OE1-CZ 2.91Å; E268-R368 VanDerWaalsContact OE1-CZ 3.26Å; E268-R368 IonicContact OE1-NH1 2.72Å; E268-R368 PolarHBondContact OE1-NH1 2.84Å; E268-R368 IonicContact OE1-NH2 3.26Å; E268-R368 PolarHBondContact OE1-NH2 3.05Å; E268-R368 IonicContact OE2-CZ 2.78Å; E268-R368 IonicContact OE2-NH1 2.71Å; E268-R368 PolarHBondContact OE2-NH1 3.3Å; E268-R368 IonicContact OE2-NH2 3.84Å
269	V	95.2	Very high	94	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.018	24%	0.242	C	C	.	.	S	Bend	trans	-77.3	-27.3	-176.9	-174.4	0	0	0	0	111.4	G264 L271 D359 R361 L362 F365	G264-V269 PolarHBondContact O-N 3.38Å; V269-L271 HydrophobicContact CB-CG 4.2Å; V269-L271 HydrophobicContact CG1-CD1 4.26Å; V269-L271 HydrophobicContact CG1-CD2 3.85Å; V269-L271 HydrophobicContact CG1-CG 3.67Å; V269-D359 VanDerWaalsContact CG1-OD2 3.3Å; V269-D359 WeakPolarHBondContact CG1-OD2 3.3Å; V269-R361 HydrophobicContact CG1-CB 3.92Å; V269-R361 PolarHBondContact O-NH1 2.81Å; V269-L362 HydrophobicContact CG1-CB 3.98Å; V269-L362 HydrophobicContact CG1-CD1 4.39Å; V269-L362 HydrophobicContact CG2-CD1 4.23Å; V269-F365 HydrophobicContact CG2-CB 3.64Å; V269-F365 HydrophobicContact CG2-CD1 3.9Å; V269-F365 HydrophobicContact CG2-CD2 4.28Å; V269-F365 HydrophobicContact CG2-CG 3.67Å
270	L	95.6	Very high	94.1	Very high	119 Å²	119	45.8 Å²	45.8	62%	0.623	24%	0.238	S	C	*	.			trans	62.8	43.7	-174.8	-53.7	172.6	0	0	0	113	M265 Q266 E267	M265-L270 PolarHBondContact O-N 3.04Å; Q266-L270 WeakPolarHBondContact O-CA 3.4Å; E267-L270 WeakPolarHBondContact O-CD2 3.34Å
271	L	94.9	Very high	94.2	Very high	27 Å²	27	45.1 Å²	45.1	14%	0.141	23%	0.233	C	C	.	.			trans	-76.5	143.4	170.4	-61.9	-175.8	0	0	0	111.3	M265 V269 A273 V276 V355 L362	M265-L271 HydrophobicContact CB-CD1 4.08Å; M265-L271 HydrophobicContact CG-CD1 4.07Å; M265-L271 WeakPolarHBondContact O-CB 3.42Å; M265-L271 PolarHBondContact O-N 3.21Å; M265-L271 HydrophobicContact SD-CD1 4.24Å; V269-L271 HydrophobicContact CB-CG 4.2Å; V269-L271 HydrophobicContact CG1-CD1 4.26Å; V269-L271 HydrophobicContact CG1-CD2 3.85Å; V269-L271 HydrophobicContact CG1-CG 3.67Å; L271-A273 PolarHBondContact O-N 3.48Å; L271-V276 HydrophobicContact CB-CG2 3.69Å; L271-V276 HydrophobicContact CD1-CG2 4.41Å; L271-V355 HydrophobicContact CD1-CG1 4.05Å; L271-V355 HydrophobicContact CD2-CG1 4.01Å; L271-L362 HydrophobicContact CD1-CD1 4.25Å; L271-L362 HydrophobicContact CD1-CD2 4.24Å
272	E	93.4	Very high	94.3	Very high	142 Å²	142	45.4 Å²	45.4	66%	0.664	24%	0.235	S	C	*	.			trans	-55.4	132.1	175.8	-170	-161	141.9	0	0	111.8	G274 V275 V276	E272-G274 PolarHBondContact O-N 3.23Å; E272-G274 VanDerWaalsContact O-N 3.16Å; E272-V275 HydrophobicContact CB-CB 4.4Å; E272-V275 HydrophobicContact CB-CG2 4.08Å; E272-V275 WeakPolarHBondContact O-CA 3.45Å; E272-V275 WeakPolarHBondContact O-CB 3.44Å; E272-V275 PolarHBondContact O-N 3.08Å; E272-V276 PolarHBondContact O-N 3.16Å; E272-V276 VanDerWaalsContact O-N 3.11Å
273	A	92.1	Very high	94.3	Very high	61 Å²	61	43.7 Å²	43.7	50%	0.504	23%	0.229	S	C	.	.	H	α-helix	trans	-55.8	-36	-176.8	0	0	0	0	0	113.4	L271 V275 V276 H277	L271-A273 PolarHBondContact O-N 3.48Å; A273-V275 PolarHBondContact O-N 3.03Å; A273-V276 PolarHBondContact O-N 3.07Å; A273-H277 VanDerWaalsContact O-CB 3.3Å; A273-H277 WeakPolarHBondContact O-CB 3.34Å; A273-H277 PolarHBondContact O-N 3.44Å
274	G	92.8	Very high	94.4	Very high	35 Å²	35	42 Å²	42	36%	0.361	23%	0.228	S	C	.	.	H	α-helix	trans	-65.1	-34.3	175.4	0	0	0	0	0	113.9	E272 T278	E272-G274 PolarHBondContact O-N 3.23Å; E272-G274 VanDerWaalsContact O-N 3.16Å; G274-T278 WeakPolarHBondContact O-CB 3.21Å; G274-T278 PolarHBondContact O-N 3.19Å; G274-T278 PolarHBondContact O-OG1 3.18Å
275	V	93.3	Very high	94.7	Very high	33 Å²	33	46.2 Å²	46.2	20%	0.2	25%	0.247	C	C	.	.	H	α-helix	trans	-68.8	-46.1	173.8	173.6	0	0	0	0	110.2	E272 A273 T278 I279 L351 V355	E272-V275 HydrophobicContact CB-CB 4.4Å; E272-V275 HydrophobicContact CB-CG2 4.08Å; E272-V275 WeakPolarHBondContact O-CA 3.45Å; E272-V275 WeakPolarHBondContact O-CB 3.44Å; E272-V275 PolarHBondContact O-N 3.08Å; A273-V275 PolarHBondContact O-N 3.03Å; V275-T278 PolarHBondContact O-N 3.12Å; V275-I279 HydrophobicContact CG1-CD1 4.34Å; V275-I279 WeakPolarHBondContact O-CG1 3.43Å; V275-I279 PolarHBondContact O-N 3.42Å; V275-I279 VanDerWaalsContact O-N 3.14Å; V275-L351 HydrophobicContact CG1-CD2 4.19Å; V275-L351 HydrophobicContact CG1-CG 4.43Å; V275-V355 HydrophobicContact CG1-CG2 4.05Å
276	V	95.2	Very high	94.8	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.006	25%	0.247	C	C	.	.	H	α-helix	trans	-66.8	-42.1	180	-174.4	0	0	0	0	111.3	R262 M265 Q266 L271 E272 A273 T278 I279 F280	R262-V276 HydrophobicContact CB-CG1 4.25Å; R262-V276 HydrophobicContact CG-CG1 3.92Å; M265-V276 HydrophobicContact CB-CG1 4.15Å; M265-V276 HydrophobicContact CB-CG2 3.83Å; M265-V276 HydrophobicContact SD-CG1 4.43Å; Q266-V276 HydrophobicContact CG-CB 4.19Å; Q266-V276 HydrophobicContact CG-CG1 4.15Å; Q266-V276 HydrophobicContact CG-CG2 4Å; L271-V276 HydrophobicContact CB-CG2 3.69Å; L271-V276 HydrophobicContact CD1-CG2 4.41Å; E272-V276 PolarHBondContact O-N 3.16Å; E272-V276 VanDerWaalsContact O-N 3.11Å; A273-V276 PolarHBondContact O-N 3.07Å; V276-T278 VanDerWaalsContact C-N 3.27Å; V276-T278 PolarHBondContact O-N 3.34Å; V276-I279 PolarHBondContact O-N 3.01Å; V276-F280 HydrophobicContact CG1-CD2 3.97Å; V276-F280 HydrophobicContact CG1-CE2 4.45Å; V276-F280 PolarHBondContact O-N 3.15Å
277	H	94	Very high	95	Very high	101 Å²	101	43.7 Å²	43.7	47%	0.468	24%	0.236	S	C	.	.	H	α-helix	trans	-62.3	-32	172.5	-179.8	82.1	0	0	0	112.7	A273 I279 F280 P281	A273-H277 VanDerWaalsContact O-CB 3.3Å; A273-H277 WeakPolarHBondContact O-CB 3.34Å; A273-H277 PolarHBondContact O-N 3.44Å; H277-I279 VanDerWaalsContact C-N 3.3Å; H277-I279 PolarHBondContact O-N 3.35Å; H277-F280 CarbonylContact O-C 3.48Å; H277-F280 PolarHBondContact O-N 3.3Å; H277-P281 WeakPolarHBondContact O-CA 3.34Å; H277-P281 VanDerWaalsContact O-N 3.07Å
278	T	94	Very high	95.2	Very high	38 Å²	38	44.4 Å²	44.4	23%	0.233	24%	0.24	C	C	.	.	H	α-helix	trans	-72.3	-22.9	173.8	-58.4	0	0	0	0	112.8	G274 V275 V276 K347 A348 L351	G274-T278 WeakPolarHBondContact O-CB 3.21Å; G274-T278 PolarHBondContact O-N 3.19Å; G274-T278 PolarHBondContact O-OG1 3.18Å; V275-T278 PolarHBondContact O-N 3.12Å; V276-T278 VanDerWaalsContact C-N 3.27Å; V276-T278 PolarHBondContact O-N 3.34Å; T278-K347 HydrophobicContact CG2-CD 4.14Å; T278-K347 HydrophobicContact CG2-CG 4.41Å; T278-A348 WeakPolarHBondContact O-CB 3.22Å; T278-L351 HydrophobicContact CG2-CD2 3.46Å; T278-L351 VanDerWaalsContact CG2-CD2 3.46Å
279	I	96.3	Very high	95.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-83.3	-35.5	172.4	-64.6	167.3	0	0	0	110.9	M265 V275 V276 H277 P281 L351 Y352 V380 I384	M265-I279 HydrophobicContact SD-CD1 4.36Å; V275-I279 HydrophobicContact CG1-CD1 4.34Å; V275-I279 WeakPolarHBondContact O-CG1 3.43Å; V275-I279 PolarHBondContact O-N 3.42Å; V275-I279 VanDerWaalsContact O-N 3.14Å; V276-I279 PolarHBondContact O-N 3.01Å; H277-I279 VanDerWaalsContact C-N 3.3Å; H277-I279 PolarHBondContact O-N 3.35Å; I279-P281 VanDerWaalsContact C-CD 3.47Å; I279-P281 WeakPolarHBondContact O-CD 3.4Å; I279-L351 HydrophobicContact CG1-CD2 4.13Å; I279-L351 HydrophobicContact CG1-CG 4.23Å; I279-Y352 HydrophobicContact CD1-CD2 4.45Å; I279-V380 HydrophobicContact CG2-CG1 3.99Å; I279-I384 HydrophobicContact CG2-CD1 4.33Å
280	F	95.4	Very high	95.6	Very high	2 Å²	2	42 Å²	42	1%	0.009	23%	0.229	C	C	.	.	S	Bend	trans	-124.2	68.2	-178.7	-58.4	-65.1	0	0	0	112.1	M257 Y261 R262 M265 V276 H277 L283 V380 I384	M257-F280 HydrophobicContact CB-CE1 4.35Å; M257-F280 HydrophobicContact CE-CD1 3.7Å; M257-F280 HydrophobicContact CE-CE1 3.96Å; M257-F280 HydrophobicContact CG-CE1 4.36Å; Y261-F280 HydrophobicContact CG-CZ 4.48Å; R262-F280 HydrophobicContact CB-CD2 3.95Å; R262-F280 HydrophobicContact CB-CE2 4.27Å; M265-F280 HydrophobicContact CE-CE2 3.82Å; M265-F280 HydrophobicContact CE-CZ 4.02Å; M265-F280 HydrophobicContact SD-CE2 3.92Å; V276-F280 HydrophobicContact CG1-CD2 3.97Å; V276-F280 HydrophobicContact CG1-CE2 4.45Å; V276-F280 PolarHBondContact O-N 3.15Å; H277-F280 CarbonylContact O-C 3.48Å; H277-F280 PolarHBondContact O-N 3.3Å; F280-L283 HydrophobicContact CB-CB 4.37Å; F280-L283 HydrophobicContact CB-CD2 4.01Å; F280-L283 HydrophobicContact CG-CD2 4.33Å; F280-V380 HydrophobicContact CE1-CG1 3.84Å; F280-V380 HydrophobicContact CZ-CG1 3.64Å; F280-V380 HydrophobicContact CZ-CG2 4.21Å; F280-I384 HydrophobicContact CD1-CG1 4.42Å; F280-I384 HydrophobicContact CE1-CD1 4.31Å; F280-I384 HydrophobicContact CE1-CG1 4.26Å
281	P	92.8	Very high	95.7	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.013	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	153.7	173.4	30.3	-35.8	0	0	0	110.5	H277 I279 L283 F341 R344	H277-P281 WeakPolarHBondContact O-CA 3.34Å; H277-P281 VanDerWaalsContact O-N 3.07Å; I279-P281 VanDerWaalsContact C-CD 3.47Å; I279-P281 WeakPolarHBondContact O-CD 3.4Å; P281-L283 PolarHBondContact O-N 3.24Å; P281-F341 HydrophobicContact CG-CD2 4.03Å; P281-F341 HydrophobicContact CG-CE2 4.44Å; P281-F341 WeakPolarHBondContact O-CD2 3.36Å; P281-F341 WeakPolarHBondContact O-CE2 3.43Å; P281-R344 HydrophobicContact CG-CB 4.02Å
282	C	94.7	Very high	95.9	Very high	6 Å²	6	40.1 Å²	40.1	4%	0.041	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	13	169.2	-46.4	0	0	0	0	116.5	D284 Q285 L286 L337 E340	C282-D284 PolarHBondContact O-N 2.98Å; C282-Q285 PolarHBondContact O-N 3.46Å; C282-Q285 PolarHBondContact O-OE1 3.23Å; C282-L286 HydrophobicContact CB-CD1 4.08Å; C282-L286 HydrophobicContact CB-CG 4.39Å; C282-L286 WeakPolarHBondContact O-CB 3.32Å; C282-L286 WeakPolarHBondContact O-CG 3.27Å; C282-L286 PolarHBondContact O-N 3.43Å; C282-L337 HydrophobicContact CB-CD2 4.11Å; C282-E340 WeakPolarHBondContact SG-CG 3.38Å
283	L	96.8	Very high	96.1	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-65	-41.4	-165.5	177.5	58.6	0	0	0	112.6	L254 M257 E258 R262 F280 P281 L287	L254-L283 HydrophobicContact CB-CD1 4.49Å; L254-L283 HydrophobicContact CD2-CD1 3.73Å; M257-L283 HydrophobicContact CB-CD1 3.94Å; M257-L283 HydrophobicContact CB-CD2 4.03Å; M257-L283 HydrophobicContact CE-CD1 4.18Å; E258-L283 HydrophobicContact CB-CD2 4.13Å; R262-L283 HydrophobicContact CB-CD2 4.43Å; F280-L283 HydrophobicContact CB-CB 4.37Å; F280-L283 HydrophobicContact CB-CD2 4.01Å; F280-L283 HydrophobicContact CG-CD2 4.33Å; P281-L283 PolarHBondContact O-N 3.24Å; L283-L287 WeakPolarHBondContact O-CB 3.43Å; L283-L287 PolarHBondContact O-N 2.71Å
284	D	96.8	Very high	96.4	Very high	67 Å²	67	31 Å²	31	36%	0.358	17%	0.17	S	C	.	.	H	α-helix	trans	-62.8	-50	-179.4	-51.9	-81.7	0	0	0	111.4	R262 C282 L286 L287 E288	R262-D284 IonicContact CZ-OD1 3.33Å; R262-D284 IonicContact CZ-OD2 3.06Å; R262-D284 IonicContact NH1-OD1 2.93Å; R262-D284 PolarHBondContact NH1-OD1 3.46Å; R262-D284 IonicContact NH1-OD2 2.78Å; R262-D284 PolarHBondContact NH1-OD2 2.88Å; R262-D284 IonicContact NH2-OD1 3.61Å; R262-D284 PolarHBondContact NH2-OD1 3.35Å; C282-D284 PolarHBondContact O-N 2.98Å; D284-L286 VanDerWaalsContact C-N 3.34Å; D284-L286 PolarHBondContact O-N 2.72Å; D284-L287 PolarHBondContact O-N 2.68Å; D284-E288 WeakPolarHBondContact O-CB 3.32Å; D284-E288 PolarHBondContact O-N 3.01Å
285	Q	98.1	Very high	96.6	Very high	89 Å²	89	32.8 Å²	32.8	42%	0.416	18%	0.177	S	C	.	.	H	α-helix	trans	-70.6	-32.4	-177.1	-57.4	79.7	20.3	0	0	111.5	C282 L289 L337	C282-Q285 PolarHBondContact O-N 3.46Å; C282-Q285 PolarHBondContact O-OE1 3.23Å; Q285-L289 VanDerWaalsContact O-CB 3.23Å; Q285-L289 WeakPolarHBondContact O-CB 3.5Å; Q285-L289 PolarHBondContact O-N 2.87Å; Q285-L337 HydrophobicContact CB-CD1 3.71Å; Q285-L337 HydrophobicContact CB-CD2 3.51Å; Q285-L337 HydrophobicContact CB-CG 4.27Å; Q285-L337 HydrophobicContact CG-CD2 4.2Å
286	L	98.3	Very high	96.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-66.9	-44.5	170.4	-75.3	168.6	0	0	0	111.1	L254 C282 D284 L289 H290 L337 Y338 F341 V387	L254-L286 HydrophobicContact CD2-CB 4.31Å; C282-L286 HydrophobicContact CB-CD1 4.08Å; C282-L286 HydrophobicContact CB-CG 4.39Å; C282-L286 WeakPolarHBondContact O-CB 3.32Å; C282-L286 WeakPolarHBondContact O-CG 3.27Å; C282-L286 PolarHBondContact O-N 3.43Å; D284-L286 VanDerWaalsContact C-N 3.34Å; D284-L286 PolarHBondContact O-N 2.72Å; L286-L289 PolarHBondContact O-N 2.94Å; L286-H290 WeakPolarHBondContact O-CB 3.5Å; L286-H290 PolarHBondContact O-CD2 3.35Å; L286-H290 PolarHBondContact O-N 2.92Å; L286-L337 HydrophobicContact CD2-CB 3.83Å; L286-L337 HydrophobicContact CD2-CD1 4.48Å; L286-L337 HydrophobicContact CG-CB 4.22Å; L286-Y338 HydrophobicContact CD2-CD2 4.04Å; L286-Y338 HydrophobicContact CD2-CE2 3.85Å; L286-F341 HydrophobicContact CD1-CB 4.16Å; L286-F341 HydrophobicContact CD1-CD2 3.48Å; L286-F341 VanDerWaalsContact CD1-CD2 3.48Å; L286-F341 HydrophobicContact CD1-CE2 4.01Å; L286-F341 HydrophobicContact CD1-CG 3.89Å; L286-V387 HydrophobicContact CD1-CG1 4.14Å
287	L	98.4	Very high	96.9	Very high	20 Å²	20	34.3 Å²	34.3	11%	0.105	18%	0.181	C	C	.	.	H	α-helix	trans	-60.4	-47.5	176.2	174.8	57.5	0	0	0	111.3	V251 L254 R255 E258 L283 D284 H290 A291	V251-L287 HydrophobicContact CG1-CD1 4.03Å; L254-L287 HydrophobicContact CB-CB 4.2Å; L254-L287 HydrophobicContact CB-CD1 3.85Å; R255-L287 HydrophobicContact CG-CD1 3.64Å; R255-L287 HydrophobicContact CG-CD2 4.08Å; E258-L287 WeakPolarHBondContact OE2-CD2 3.49Å; L283-L287 WeakPolarHBondContact O-CB 3.43Å; L283-L287 PolarHBondContact O-N 2.71Å; D284-L287 PolarHBondContact O-N 2.68Å; L287-H290 PolarHBondContact O-N 3.41Å; L287-A291 WeakPolarHBondContact O-CB 3.34Å; L287-A291 PolarHBondContact O-N 3.48Å
288	E	98.3	Very high	97	Very high	119 Å²	119	32 Å²	32	56%	0.556	17%	0.172	S	C	*	.	H	α-helix	trans	-57.4	-52.9	176.2	-179.1	178.9	-172.2	0	0	111.9	D284 H290 A291 N292	D284-E288 WeakPolarHBondContact O-CB 3.32Å; D284-E288 PolarHBondContact O-N 3.01Å; E288-H290 VanDerWaalsContact C-N 3.33Å; E288-H290 PolarHBondContact O-N 2.9Å; E288-A291 PolarHBondContact O-N 3.39Å; E288-N292 VanDerWaalsContact O-CB 3.3Å; E288-N292 WeakPolarHBondContact O-CB 3.25Å; E288-N292 VanDerWaalsContact O-CG 3.23Å; E288-N292 PolarHBondContact O-N 3.41Å; E288-N292 PolarHBondContact O-ND2 3.49Å
289	L	98.1	Very high	97.1	Very high	20 Å²	20	33 Å²	33	11%	0.105	18%	0.181	C	C	.	.	H	α-helix	trans	-56.3	-46.8	-179.6	-173.7	157.5	0	0	0	111.6	Q285 L286 F293 D333 M334 L337	Q285-L289 VanDerWaalsContact O-CB 3.23Å; Q285-L289 WeakPolarHBondContact O-CB 3.5Å; Q285-L289 PolarHBondContact O-N 2.87Å; L286-L289 PolarHBondContact O-N 2.94Å; L289-F293 PolarHBondContact O-N 3.02Å; L289-F293 VanDerWaalsContact O-N 3.09Å; L289-D333 HydrophobicContact CD1-CB 4.47Å; L289-M334 HydrophobicContact CD1-CB 4.16Å; L289-M334 HydrophobicContact CD2-CE 3.61Å; L289-L337 HydrophobicContact CD1-CD1 3.98Å
290	H	98.6	Very high	97.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-76.3	-33.9	-178.3	-74.2	-75.8	0	0	0	113.2	E247 H250 V251 L254 L286 L287 E288 F293 L294 Y338 Y394	E247-H290 IonicContact OE1-CE1 2.74Å; E247-H290 IonicContact OE1-CG 3.85Å; E247-H290 IonicContact OE1-ND1 2.72Å; E247-H290 PolarHBondContact OE1-ND1 3.46Å; H250-H290 AromaticContact CD2-CD2 3.75Å; H250-H290 AromaticContact CD2-CE1 3.57Å; H250-H290 AromaticContact CD2-CG 3.39Å; H250-H290 AromaticContact CD2-ND1 3.28Å; H250-H290 PolarHBondContact CD2-ND1 2.79Å; H250-H290 VanDerWaalsContact CD2-ND1 3.28Å; H250-H290 AromaticContact CD2-NE2 3.84Å; H250-H290 AromaticContact NE2-CD2 3.15Å; H250-H290 PolarHBondContact NE2-CD2 3.44Å; H250-H290 AromaticContact NE2-CE1 3.19Å; H250-H290 PolarHBondContact NE2-CE1 3.49Å; H250-H290 AromaticContact NE2-CG 3.32Å; H250-H290 VanDerWaalsContact NE2-CG 3.32Å; H250-H290 AromaticContact NE2-ND1 3.34Å; H250-H290 PolarHBondContact NE2-ND1 3.04Å; H250-H290 AromaticContact NE2-NE2 3.05Å; H250-H290 PolarHBondContact NE2-NE2 3.24Å; V251-H290 VanDerWaalsContact CG2-C 3.47Å; V251-H290 HydrophobicContact CG2-CB 3.78Å; V251-H290 WeakPolarHBondContact CG2-O 3.45Å; L254-H290 HydrophobicContact CD1-CB 4.02Å; L286-H290 WeakPolarHBondContact O-CB 3.5Å; L286-H290 PolarHBondContact O-CD2 3.35Å; L286-H290 PolarHBondContact O-N 2.92Å; L287-H290 PolarHBondContact O-N 3.41Å; E288-H290 VanDerWaalsContact C-N 3.33Å; E288-H290 PolarHBondContact O-N 2.9Å; H290-F293 PolarHBondContact O-N 2.79Å; H290-L294 VanDerWaalsContact O-CB 3.31Å; H290-L294 WeakPolarHBondContact O-CB 3.19Å; H290-L294 PolarHBondContact O-N 3.21Å; H290-Y338 AromaticContact NE2-CE2 3.68Å; H290-Y338 AromaticContact NE2-CZ 3.83Å; H290-Y338 PolarHBondContact NE2-OH 3.38Å; H290-Y338 VanDerWaalsContact NE2-OH 3.13Å; H290-Y394 PolarHBondContact CE1-OH 3.06Å; H290-Y394 PolarHBondContact ND1-OH 3.14Å
291	A	97.9	Very high	97	Very high	22 Å²	22	37 Å²	37	18%	0.182	20%	0.196	C	C	.	.	H	α-helix	trans	-65.3	-39.5	172.5	0	0	0	0	0	111.3	V251 L287 E288 L294 S295	V251-A291 HydrophobicContact CG1-CB 4.32Å; L287-A291 WeakPolarHBondContact O-CB 3.34Å; L287-A291 PolarHBondContact O-N 3.48Å; E288-A291 PolarHBondContact O-N 3.39Å; A291-L294 PolarHBondContact O-N 3.46Å; A291-S295 WeakPolarHBondContact O-CB 3.49Å; A291-S295 PolarHBondContact O-N 2.93Å; A291-S295 PolarHBondContact O-OG 3.22Å
292	N	98.1	Very high	97.1	Very high	84 Å²	84	44.5 Å²	44.5	45%	0.449	23%	0.229	S	C	.	.	H	α-helix	trans	-65.6	-38.2	174.7	-73.8	-23.3	0	0	0	112.3	E288 Q296	E288-N292 VanDerWaalsContact O-CB 3.3Å; E288-N292 WeakPolarHBondContact O-CB 3.25Å; E288-N292 VanDerWaalsContact O-CG 3.23Å; E288-N292 PolarHBondContact O-N 3.41Å; E288-N292 PolarHBondContact O-ND2 3.49Å; N292-Q296 WeakPolarHBondContact O-CG 3.43Å; N292-Q296 PolarHBondContact O-N 3.35Å; N292-Q296 PolarHBondContact O-NE2 3.45Å; N292-Q296 VanDerWaalsContact O-NE2 3.15Å
293	F	98.5	Very high	97	Very high	1 Å²	1	49.3 Å²	49.3	0%	0.004	25%	0.254	C	S	.	.	H	α-helix	trans	-65.8	-49.2	172.9	-174.3	-140.3	0	0	0	111.8	E247 L289 H290 S295 Q296 L297 L322 Q325 Y394	E247-F293 HydrophobicContact CG-CD1 3.92Å; E247-F293 HydrophobicContact CG-CE1 4.43Å; L289-F293 PolarHBondContact O-N 3.02Å; L289-F293 VanDerWaalsContact O-N 3.09Å; H290-F293 PolarHBondContact O-N 2.79Å; F293-S295 VanDerWaalsContact C-N 3.3Å; F293-S295 PolarHBondContact O-N 3.47Å; F293-Q296 PolarHBondContact O-N 2.96Å; F293-L297 HydrophobicContact CD1-CD1 4.12Å; F293-L297 HydrophobicContact CD2-CD1 4.43Å; F293-L297 HydrophobicContact CD2-CG 4.25Å; F293-L297 HydrophobicContact CE1-CD1 3.83Å; F293-L297 HydrophobicContact CE2-CD1 4.16Å; F293-L297 HydrophobicContact CE2-CD2 4.09Å; F293-L297 HydrophobicContact CE2-CG 3.99Å; F293-L297 HydrophobicContact CG-CD1 4.41Å; F293-L297 HydrophobicContact CZ-CD1 3.84Å; F293-L297 HydrophobicContact CZ-CD2 4.17Å; F293-L297 HydrophobicContact CZ-CG 4.15Å; F293-L297 WeakPolarHBondContact O-CG 3.39Å; F293-L297 PolarHBondContact O-N 3.33Å; F293-L322 HydrophobicContact CE2-CD2 4.35Å; F293-L322 HydrophobicContact CZ-CD2 3.89Å; F293-Q325 HydrophobicContact CB-CG 4.47Å; F293-Q325 VanDerWaalsContact CB-OE1 3.23Å; F293-Q325 HydrophobicContact CD1-CG 4.25Å; F293-Q325 HydrophobicContact CD2-CB 3.95Å; F293-Q325 HydrophobicContact CD2-CG 3.55Å; F293-Q325 VanDerWaalsContact CD2-OE1 3.23Å; F293-Q325 HydrophobicContact CE1-CG 4.41Å; F293-Q325 HydrophobicContact CE2-CB 3.88Å; F293-Q325 HydrophobicContact CE2-CG 3.74Å; F293-Q325 HydrophobicContact CG-CG 3.84Å; F293-Q325 HydrophobicContact CZ-CG 4.18Å; F293-Y394 AromaticContact CE1-CE1 3.92Å; F293-Y394 HydrophobicContact CE1-CE1 3.92Å
294	L	97.9	Very high	96.9	Very high	10 Å²	10	49.9 Å²	49.9	5%	0.052	26%	0.26	C	S	.	.	H	α-helix	trans	-56.9	-42.2	177.2	176.7	62.2	0	0	0	112.2	E247 F248 V251 H290 A291 Q296 L297 L298	E247-L294 HydrophobicContact CB-CD1 4.27Å; E247-L294 HydrophobicContact CG-CB 4.06Å; E247-L294 HydrophobicContact CG-CD1 4.37Å; F248-L294 HydrophobicContact CB-CD1 4.05Å; F248-L294 HydrophobicContact CB-CD2 4.38Å; F248-L294 HydrophobicContact CD2-CD2 4.12Å; V251-L294 HydrophobicContact CB-CD2 3.88Å; V251-L294 HydrophobicContact CG1-CD2 4.06Å; V251-L294 HydrophobicContact CG2-CB 4.09Å; V251-L294 HydrophobicContact CG2-CD2 3.8Å; H290-L294 VanDerWaalsContact O-CB 3.31Å; H290-L294 WeakPolarHBondContact O-CB 3.19Å; H290-L294 PolarHBondContact O-N 3.21Å; A291-L294 PolarHBondContact O-N 3.46Å; L294-Q296 VanDerWaalsContact C-N 3.34Å; L294-Q296 PolarHBondContact O-N 3.06Å; L294-L297 WeakPolarHBondContact O-CB 3.24Å; L294-L297 PolarHBondContact O-N 3.37Å; L294-L298 HydrophobicContact CD1-CD1 4Å; L294-L298 HydrophobicContact CD1-CG 4.07Å; L294-L298 HydrophobicContact CG-CD1 3.96Å; L294-L298 HydrophobicContact CG-CG 4.41Å; L294-L298 WeakPolarHBondContact O-CB 3.28Å; L294-L298 WeakPolarHBondContact O-CG 3.45Å; L294-L298 PolarHBondContact O-N 3.01Å
295	S	97	Very high	96.9	Very high	73 Å²	73	50 Å²	50	51%	0.51	26%	0.261	S	S	.	.	H	α-helix	trans	-63.6	-41.1	-179.5	-60.4	0	0	0	0	111.6	A291 F293 L298 S299	A291-S295 WeakPolarHBondContact O-CB 3.49Å; A291-S295 PolarHBondContact O-N 2.93Å; A291-S295 PolarHBondContact O-OG 3.22Å; F293-S295 VanDerWaalsContact C-N 3.3Å; F293-S295 PolarHBondContact O-N 3.47Å; S295-L298 PolarHBondContact O-N 2.97Å; S295-S299 PolarHBondContact O-N 3.06Å
296	Q	97.8	Very high	96.6	Very high	63 Å²	63	50.2 Å²	50.2	29%	0.294	26%	0.262	S	S	.	.	H	α-helix	trans	-68	-39	174.2	-68.7	175.4	80.8	0	0	112.7	N292 F293 L294 S299 R300 L321	N292-Q296 WeakPolarHBondContact O-CG 3.43Å; N292-Q296 PolarHBondContact O-N 3.35Å; N292-Q296 PolarHBondContact O-NE2 3.45Å; N292-Q296 VanDerWaalsContact O-NE2 3.15Å; F293-Q296 PolarHBondContact O-N 2.96Å; L294-Q296 VanDerWaalsContact C-N 3.34Å; L294-Q296 PolarHBondContact O-N 3.06Å; Q296-S299 PolarHBondContact O-N 2.94Å; Q296-R300 WeakPolarHBondContact O-CB 3.44Å; Q296-R300 PolarHBondContact O-N 3.45Å; Q296-L321 HydrophobicContact CB-CD2 3.64Å; Q296-L321 HydrophobicContact CG-CD2 4.28Å
297	L	97.4	Very high	96.1	Very high	2 Å²	2	59.6 Å²	59.6	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-61.7	-41.9	173.5	-74.2	178.2	0	0	0	112.3	L243 I244 E247 F293 L294 R300 R301 L318	L243-L297 HydrophobicContact CD2-CD2 4.43Å; L243-L297 HydrophobicContact CG-CD1 4.48Å; I244-L297 HydrophobicContact CG1-CB 4.21Å; I244-L297 HydrophobicContact CG1-CD1 4.5Å; E247-L297 HydrophobicContact CB-CD1 4.12Å; E247-L297 HydrophobicContact CG-CD1 4.2Å; F293-L297 HydrophobicContact CD1-CD1 4.12Å; F293-L297 HydrophobicContact CD2-CD1 4.43Å; F293-L297 HydrophobicContact CD2-CG 4.25Å; F293-L297 HydrophobicContact CE1-CD1 3.83Å; F293-L297 HydrophobicContact CE2-CD1 4.16Å; F293-L297 HydrophobicContact CE2-CD2 4.09Å; F293-L297 HydrophobicContact CE2-CG 3.99Å; F293-L297 HydrophobicContact CG-CD1 4.41Å; F293-L297 HydrophobicContact CZ-CD1 3.84Å; F293-L297 HydrophobicContact CZ-CD2 4.17Å; F293-L297 HydrophobicContact CZ-CG 4.15Å; F293-L297 WeakPolarHBondContact O-CG 3.39Å; F293-L297 PolarHBondContact O-N 3.33Å; L294-L297 WeakPolarHBondContact O-CB 3.24Å; L294-L297 PolarHBondContact O-N 3.37Å; L297-R300 PolarHBondContact O-N 3.47Å; L297-R301 PolarHBondContact O-N 2.93Å; L297-R301 VanDerWaalsContact O-N 3.07Å; L297-L318 HydrophobicContact CD2-CD1 3.67Å
298	L	95.6	Very high	95.6	Very high	52 Å²	52	63 Å²	63	27%	0.272	35%	0.345	S	S	.	.	H	α-helix	trans	-70.8	-35.9	176.7	-69.8	174	0	0	0	112.1	I244 L294 S295 R301 K302	I244-L298 HydrophobicContact CG2-CD2 3.86Å; L294-L298 HydrophobicContact CD1-CD1 4Å; L294-L298 HydrophobicContact CD1-CG 4.07Å; L294-L298 HydrophobicContact CG-CD1 3.96Å; L294-L298 HydrophobicContact CG-CG 4.41Å; L294-L298 WeakPolarHBondContact O-CB 3.28Å; L294-L298 WeakPolarHBondContact O-CG 3.45Å; L294-L298 PolarHBondContact O-N 3.01Å; S295-L298 PolarHBondContact O-N 2.97Å; L298-R301 WeakPolarHBondContact O-CB 3.41Å; L298-R301 PolarHBondContact O-N 3.26Å; L298-K302 PolarHBondContact O-N 2.94Å
299	S	95.8	Very high	95.2	Very high	60 Å²	60	58.4 Å²	58.4	42%	0.42	33%	0.327	S	S	.	.	H	α-helix	trans	-60	-50.7	169.5	-164.9	0	0	0	0	110.7	S295 Q296 R301 K302 D303	S295-S299 PolarHBondContact O-N 3.06Å; Q296-S299 PolarHBondContact O-N 2.94Å; S299-R301 PolarHBondContact O-N 2.98Å; S299-K302 CarbonylContact O-C 3.58Å; S299-K302 WeakPolarHBondContact O-CA 3.48Å; S299-K302 VanDerWaalsContact O-CB 3.31Å; S299-K302 WeakPolarHBondContact O-CB 3.37Å; S299-K302 PolarHBondContact O-N 3.06Å; S299-D303 PolarHBondContact O-N 3.02Å
300	R	96.1	Very high	94.6	Very high	47 Å²	47	61.5 Å²	61.5	18%	0.177	36%	0.355	C	S	.	.	H	α-helix	trans	-60.4	-30.5	179.8	-176.3	55.7	59	77.7	0.3	113.6	Q296 L297 D303 G304 V315 R317 D320 L321	Q296-R300 WeakPolarHBondContact O-CB 3.44Å; Q296-R300 PolarHBondContact O-N 3.45Å; L297-R300 PolarHBondContact O-N 3.47Å; R300-D303 WeakPolarHBondContact CA-OD2 3.31Å; R300-D303 IonicContact NE-OD2 3.19Å; R300-G304 PolarHBondContact O-N 2.63Å; R300-V315 HydrophobicContact CG-CG1 3.88Å; R300-R317 WeakPolarHBondContact CD-O 3.4Å; R300-R317 PolarHBondContact NH1-O 3.12Å; R300-D320 IonicContact CZ-OD1 3.55Å; R300-D320 IonicContact CZ-OD2 3.64Å; R300-D320 IonicContact NH1-OD1 3.02Å; R300-D320 PolarHBondContact NH1-OD1 3.43Å; R300-D320 IonicContact NH1-OD2 3.62Å; R300-D320 IonicContact NH2-OD1 2.79Å; R300-D320 PolarHBondContact NH2-OD1 3.42Å; R300-D320 IonicContact NH2-OD2 2.65Å; R300-D320 PolarHBondContact NH2-OD2 3.01Å; R300-L321 HydrophobicContact CB-CD1 3.65Å; R300-L321 HydrophobicContact CG-CD1 3.88Å
301	R	94.8	Very high	94.1	Very high	40 Å²	40	65.4 Å²	65.4	15%	0.151	38%	0.376	C	S	.	.	H	α-helix	trans	-66.7	-45.5	169.5	173.4	-178.9	171.4	-162.8	2.3	112	C211 I244 L297 L298 S299 D303 G304 L305 F313 V315	C211-R301 VanDerWaalsContact O-CZ 3.26Å; C211-R301 PolarHBondContact O-NH1 3.44Å; C211-R301 PolarHBondContact O-NH2 3.22Å; I244-R301 HydrophobicContact CD1-CB 4.41Å; L297-R301 PolarHBondContact O-N 2.93Å; L297-R301 VanDerWaalsContact O-N 3.07Å; L298-R301 WeakPolarHBondContact O-CB 3.41Å; L298-R301 PolarHBondContact O-N 3.26Å; S299-R301 PolarHBondContact O-N 2.98Å; R301-D303 VanDerWaalsContact C-N 3.34Å; R301-G304 CarbonylContact O-C 3.52Å; R301-G304 WeakPolarHBondContact O-CA 3.13Å; R301-G304 PolarHBondContact O-N 3.28Å; R301-G304 VanDerWaalsContact O-N 3.1Å; R301-L305 PolarHBondContact O-N 3.27Å; R301-F313 HydrophobicContact CG-CD1 4.21Å; R301-F313 HydrophobicContact CG-CD2 3.65Å; R301-F313 HydrophobicContact CG-CE1 4.38Å; R301-F313 HydrophobicContact CG-CE2 3.78Å; R301-F313 HydrophobicContact CG-CG 3.87Å; R301-F313 HydrophobicContact CG-CZ 4.17Å; R301-F313 VanDerWaalsContact NE-CZ 3.33Å; R301-V315 HydrophobicContact CB-CG2 4.46Å
302	K	93.3	Very high	93.9	Very high	159 Å²	159	64.8 Å²	64.8	69%	0.691	37%	0.369	S	S	*	.	H	α-helix	trans	-62.3	-40.6	177.1	-171.3	-174.4	177.5	-173	0	111.6	L298 S299 G304 L305	L298-K302 PolarHBondContact O-N 2.94Å; S299-K302 CarbonylContact O-C 3.58Å; S299-K302 WeakPolarHBondContact O-CA 3.48Å; S299-K302 VanDerWaalsContact O-CB 3.31Å; S299-K302 WeakPolarHBondContact O-CB 3.37Å; S299-K302 PolarHBondContact O-N 3.06Å; K302-G304 PolarHBondContact O-N 3.37Å; K302-L305 WeakPolarHBondContact O-CB 3.49Å; K302-L305 PolarHBondContact O-N 3.36Å; K302-L305 VanDerWaalsContact O-N 3.11Å
303	D	94.4	Very high	93.8	Very high	106 Å²	106	60.9 Å²	60.9	57%	0.567	35%	0.348	S	S	*	.	H	α-helix	trans	-62.6	-24.4	174	-50.1	-26.1	0	0	0	112.5	S299 R300 R301	S299-D303 PolarHBondContact O-N 3.02Å; R300-D303 WeakPolarHBondContact CA-OD2 3.31Å; R300-D303 IonicContact NE-OD2 3.19Å; R301-D303 VanDerWaalsContact C-N 3.34Å
304	G	94.6	Very high	93.7	Very high	14 Å²	14	61.8 Å²	61.8	14%	0.144	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	0.3	177.1	0	0	0	0	0	114.8	R300 R301 K302 F313 T314	R300-G304 PolarHBondContact O-N 2.63Å; R301-G304 CarbonylContact O-C 3.52Å; R301-G304 WeakPolarHBondContact O-CA 3.13Å; R301-G304 PolarHBondContact O-N 3.28Å; R301-G304 VanDerWaalsContact O-N 3.1Å; K302-G304 PolarHBondContact O-N 3.37Å; G304-F313 CarbonylContact O-C 3.4Å; G304-F313 WeakPolarHBondContact O-CA 3.43Å; G304-F313 WeakPolarHBondContact O-CB 3.18Å; G304-T314 PolarHBondContact O-N 2.81Å
305	L	95.2	Very high	93.6	Very high	70 Å²	70	61.4 Å²	61.4	37%	0.366	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-68	140.3	-177.9	-164.5	71.7	0	0	0	111.2	R301 K302 S309 N312 F313	R301-L305 PolarHBondContact O-N 3.27Å; K302-L305 WeakPolarHBondContact O-CB 3.49Å; K302-L305 PolarHBondContact O-N 3.36Å; K302-L305 VanDerWaalsContact O-N 3.11Å; L305-S309 WeakPolarHBondContact CD2-O 3.34Å; L305-S309 WeakPolarHBondContact CG-O 3.27Å; L305-N312 WeakPolarHBondContact CD1-O 3.38Å; L305-F313 HydrophobicContact CD1-CB 4.14Å
306	Q	92.7	Very high	93.3	Very high	93 Å²	93	67.2 Å²	67.2	44%	0.435	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-74	132.3	175.1	-175.3	-179.5	5.7	0	0	110	G308 S309 N312	Q306-G308 PolarHBondContact O-N 3.46Å; Q306-S309 PolarHBondContact O-N 2.97Å; Q306-N312 HydrophobicContact CB-CB 4.12Å; Q306-N312 WeakPolarHBondContact CB-O 3.42Å; Q306-N312 PolarHBondContact N-O 3.3Å
307	E	88.6	Confident	93	Very high	196 Å²	196	69.2 Å²	69.2	92%	0.916	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	129.3	175.1	-170.4	168.6	-150.5	0	0	111.3	S309	E307-S309 VanDerWaalsContact C-N 3.3Å; E307-S309 PolarHBondContact O-N 3.25Å
308	G	87.1	Confident	93	Very high	92 Å²	92	69.2 Å²	69.2	95%	0.948	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	-3.9	-175.2	0	0	0	0	0	116.4	Q306	Q306-G308 PolarHBondContact O-N 3.46Å
309	S	89.4	Confident	93.1	Very high	23 Å²	23	66.8 Å²	66.8	16%	0.161	36%	0.355	C	S	.	.			trans	-106	145.2	174.7	-172.2	0	0	0	0	112.4	L305 Q306 E307 N311 N312	L305-S309 WeakPolarHBondContact CD2-O 3.34Å; L305-S309 WeakPolarHBondContact CG-O 3.27Å; Q306-S309 PolarHBondContact O-N 2.97Å; E307-S309 VanDerWaalsContact C-N 3.3Å; E307-S309 PolarHBondContact O-N 3.25Å; S309-N311 PolarHBondContact OG-N 2.95Å; S309-N311 VanDerWaalsContact OG-N 3.17Å; S309-N312 WeakPolarHBondContact OG-CB 3.46Å; S309-N312 PolarHBondContact OG-N 3.29Å; S309-N312 PolarHBondContact OG-ND2 3.48Å
310	A	85.2	Confident	93.1	Very high	85 Å²	85	65.8 Å²	65.8	70%	0.702	35%	0.345	S	S	*	.	S	Bend	trans	-90.3	-19.4	168.7	0	0	0	0	0	113.3
311	N	88.4	Confident	93.2	Very high	82 Å²	82	63.8 Å²	63.8	44%	0.439	34%	0.337	S	S	.	.	S	Bend	trans	-116.8	-33.1	-167.4	-63.7	-19.4	0	0	0	113.9	S309 F313	S309-N311 PolarHBondContact OG-N 2.95Å; S309-N311 VanDerWaalsContact OG-N 3.17Å; N311-F313 WeakPolarHBondContact O-CD1 3.42Å; N311-F313 PolarHBondContact O-N 2.6Å
312	N	94.7	Very high	93.4	Very high	8 Å²	8	61.9 Å²	61.9	4%	0.043	33%	0.33	C	S	.	.			trans	-85.3	115.6	-170.5	-59.7	-32.1	0	0	0	110.6	D222 F225 L305 Q306 S309	D222-N312 WeakPolarHBondContact CB-OD1 3.47Å; D222-N312 VanDerWaalsContact CG-OD1 3.29Å; D222-N312 PolarHBondContact N-OD1 3.25Å; D222-N312 PolarHBondContact OD2-ND2 2.94Å; D222-N312 PolarHBondContact OD2-OD1 3.05Å; F225-N312 HydrophobicContact CB-CB 4.3Å; F225-N312 HydrophobicContact CD1-CB 3.86Å; F225-N312 HydrophobicContact CD2-CB 3.95Å; F225-N312 HydrophobicContact CE1-CB 4.09Å; F225-N312 HydrophobicContact CE2-CB 4.18Å; F225-N312 HydrophobicContact CG-CB 3.77Å; F225-N312 HydrophobicContact CZ-CB 4.24Å; L305-N312 WeakPolarHBondContact CD1-O 3.38Å; Q306-N312 HydrophobicContact CB-CB 4.12Å; Q306-N312 WeakPolarHBondContact CB-O 3.42Å; Q306-N312 PolarHBondContact N-O 3.3Å; S309-N312 WeakPolarHBondContact OG-CB 3.46Å; S309-N312 PolarHBondContact OG-N 3.29Å; S309-N312 PolarHBondContact OG-ND2 3.48Å
313	F	95.4	Very high	93.6	Very high	3 Å²	3	55.8 Å²	55.8	1%	0.013	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-140.1	151.8	177.2	61.7	-87.5	0	0	0	112	W217 V221 Y241 R301 G304 L305 N311 V315	W217-F313 AromaticContact CD1-CE2 3.35Å; W217-F313 AromaticContact CD1-CZ 3.46Å; W217-F313 VanDerWaalsContact CD1-CZ 3.46Å; W217-F313 VanDerWaalsContact CZ2-O 3.32Å; W217-F313 WeakPolarHBondContact CZ2-O 3.31Å; W217-F313 AromaticContact NE1-CD2 3.78Å; W217-F313 AromaticContact NE1-CE2 3.54Å; W217-F313 AromaticContact NE1-CZ 3.85Å; W217-F313 PolarHBondContact NE1-O 2.95Å; V221-F313 HydrophobicContact CG1-CD1 4.49Å; V221-F313 HydrophobicContact CG1-CE1 4.38Å; Y241-F313 HydrophobicContact CD2-CE2 4.5Å; Y241-F313 AromaticContact CD2-CZ 3.92Å; Y241-F313 HydrophobicContact CD2-CZ 3.92Å; Y241-F313 HydrophobicContact CE2-CZ 4.19Å; R301-F313 HydrophobicContact CG-CD1 4.21Å; R301-F313 HydrophobicContact CG-CD2 3.65Å; R301-F313 HydrophobicContact CG-CE1 4.38Å; R301-F313 HydrophobicContact CG-CE2 3.78Å; R301-F313 HydrophobicContact CG-CG 3.87Å; R301-F313 HydrophobicContact CG-CZ 4.17Å; R301-F313 VanDerWaalsContact NE-CZ 3.33Å; G304-F313 CarbonylContact O-C 3.4Å; G304-F313 WeakPolarHBondContact O-CA 3.43Å; G304-F313 WeakPolarHBondContact O-CB 3.18Å; L305-F313 HydrophobicContact CD1-CB 4.14Å; N311-F313 WeakPolarHBondContact O-CD1 3.42Å; N311-F313 PolarHBondContact O-N 2.6Å; F313-V315 HydrophobicContact CD2-CG2 4.48Å
314	T	95.6	Very high	93.8	Very high	19 Å²	19	56.5 Å²	56.5	12%	0.117	30%	0.3	C	S	.	.			trans	-137	108.8	173.3	-61.3	0	0	0	0	110.1	V233 Q237 G304 R316	V233-T314 HydrophobicContact CG1-CG2 4.23Å; Q237-T314 HydrophobicContact CG-CG2 4.27Å; G304-T314 PolarHBondContact O-N 2.81Å; T314-R316 HydrophobicContact CG2-CG 4.44Å; T314-R316 PolarHBondContact O-N 3.25Å; T314-R316 VanDerWaalsContact O-N 3.16Å
315	V	95.6	Very high	93.9	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.012	30%	0.295	C	S	.	.			trans	-74.6	102.4	174.7	174.8	0	0	0	0	109.1	Q237 I240 R300 R301 F313 R317 L318	Q237-V315 PolarHBondContact NE2-O 3.04Å; I240-V315 HydrophobicContact CD1-CB 4.36Å; I240-V315 HydrophobicContact CD1-CG1 4.3Å; I240-V315 HydrophobicContact CG2-CB 4.03Å; I240-V315 HydrophobicContact CG2-CG1 4.06Å; I240-V315 HydrophobicContact CG2-CG2 4.25Å; R300-V315 HydrophobicContact CG-CG1 3.88Å; R301-V315 HydrophobicContact CB-CG2 4.46Å; F313-V315 HydrophobicContact CD2-CG2 4.48Å; V315-R317 WeakPolarHBondContact CG1-O 3.45Å; V315-L318 HydrophobicContact CG1-CD1 4.46Å
316	R	90.9	Very high	94.1	Very high	196 Å²	196	52.9 Å²	52.9	74%	0.74	28%	0.278	S	S	*	.			trans	-79.5	-28.8	-176.9	-63.6	-174.1	179.6	98.4	-3.4	114.2	T314	T314-R316 HydrophobicContact CG2-CG 4.44Å; T314-R316 PolarHBondContact O-N 3.25Å; T314-R316 VanDerWaalsContact O-N 3.16Å
317	R	92.8	Very high	94.2	Very high	105 Å²	105	50.6 Å²	50.6	40%	0.396	27%	0.272	S	S	.	.			trans	-141.2	145.6	-179.8	-71.8	-167.2	67.9	-167.1	2.1	112.1	R300 V315 E411 D414	R300-R317 WeakPolarHBondContact CD-O 3.4Å; R300-R317 PolarHBondContact NH1-O 3.12Å; V315-R317 WeakPolarHBondContact CG1-O 3.45Å; R317-E411 WeakPolarHBondContact CA-OE2 3.46Å; R317-E411 WeakPolarHBondContact CB-OE2 3.36Å; R317-E411 VanDerWaalsContact CG-OE2 3.23Å; R317-E411 WeakPolarHBondContact CG-OE2 3.34Å; R317-E411 IonicContact NE-OE2 3.15Å; R317-E411 PolarHBondContact NE-OE2 3.45Å; R317-E411 VanDerWaalsContact NE-OE2 3.15Å; R317-D414 IonicContact CZ-OD2 4Å; R317-D414 IonicContact NH2-OD2 3.6Å; R317-D414 PolarHBondContact NH2-OD2 2.72Å
318	L	96.3	Very high	94.6	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.01	26%	0.255	C	S	.	.			trans	-149	-21.9	-176.5	-166.1	71.8	0	0	0	112.5	I240 L243 L297 V315 D320 L321 L322 I401 E411	I240-L318 HydrophobicContact CG1-CD2 4.29Å; I240-L318 HydrophobicContact CG2-CD2 4.4Å; L243-L318 HydrophobicContact CD2-CD2 3.9Å; L297-L318 HydrophobicContact CD2-CD1 3.67Å; V315-L318 HydrophobicContact CG1-CD1 4.46Å; L318-D320 VanDerWaalsContact C-N 3.28Å; L318-D320 PolarHBondContact O-N 3.29Å; L318-L321 HydrophobicContact CD1-CD1 4.08Å; L318-L321 WeakPolarHBondContact O-CB 3.38Å; L318-L321 PolarHBondContact O-N 3.14Å; L318-L322 HydrophobicContact CB-CD1 4.47Å; L318-L322 HydrophobicContact CD2-CD1 3.82Å; L318-L322 HydrophobicContact CD2-CG 4.4Å; L318-L322 HydrophobicContact CG-CD1 3.88Å; L318-L322 HydrophobicContact CG-CG 4.13Å; L318-L322 PolarHBondContact O-N 3.19Å; L318-L322 VanDerWaalsContact O-N 3.12Å; L318-I401 HydrophobicContact CD2-CD1 3.87Å; L318-E411 WeakPolarHBondContact CA-OE1 3.43Å; L318-E411 PolarHBondContact N-OE1 2.88Å; L318-E411 PolarHBondContact N-OE2 3.35Å
319	G	97.4	Very high	95	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-53.6	-40.3	-179.6	0	0	0	0	0	113.9	L321 L322 L323 E411	G319-L321 PolarHBondContact O-N 3.35Å; G319-L322 PolarHBondContact O-N 2.86Å; G319-L323 WeakPolarHBondContact O-CB 3.48Å; G319-L323 WeakPolarHBondContact O-CG 3.33Å; G319-L323 PolarHBondContact O-N 2.76Å; G319-E411 PolarHBondContact N-OE1 3.4Å; G319-E411 PolarHBondContact N-OE2 2.9Å
320	D	96.8	Very high	95.3	Very high	39 Å²	39	46.9 Å²	46.9	21%	0.209	25%	0.247	C	C	.	.	H	α-helix	trans	-63.2	-27.3	177	72.8	-73.3	0	0	0	114	R300 L318 R324	R300-D320 IonicContact CZ-OD1 3.55Å; R300-D320 IonicContact CZ-OD2 3.64Å; R300-D320 IonicContact NH1-OD1 3.02Å; R300-D320 PolarHBondContact NH1-OD1 3.43Å; R300-D320 IonicContact NH1-OD2 3.62Å; R300-D320 IonicContact NH2-OD1 2.79Å; R300-D320 PolarHBondContact NH2-OD1 3.42Å; R300-D320 IonicContact NH2-OD2 2.65Å; R300-D320 PolarHBondContact NH2-OD2 3.01Å; L318-D320 VanDerWaalsContact C-N 3.28Å; L318-D320 PolarHBondContact O-N 3.29Å; D320-R324 WeakPolarHBondContact O-CG 3.32Å; D320-R324 PolarHBondContact O-N 2.65Å; D320-R324 PolarHBondContact O-NE 3.02Å; D320-R324 IonicContact OD2-CZ 2.85Å; D320-R324 IonicContact OD2-NE 2.66Å; D320-R324 IonicContact OD2-NH2 3.96Å; D320-R324 PolarHBondContact OD2-NH2 3.27Å
321	L	97.9	Very high	95.9	Very high	5 Å²	5	43.4 Å²	43.4	3%	0.026	22%	0.218	C	C	.	.	H	α-helix	trans	-81	-40.6	175.5	-81.7	167.8	0	0	0	111.2	Q296 R300 L318 G319 R324 Q325	Q296-L321 HydrophobicContact CB-CD2 3.64Å; Q296-L321 HydrophobicContact CG-CD2 4.28Å; R300-L321 HydrophobicContact CB-CD1 3.65Å; R300-L321 HydrophobicContact CG-CD1 3.88Å; L318-L321 HydrophobicContact CD1-CD1 4.08Å; L318-L321 WeakPolarHBondContact O-CB 3.38Å; L318-L321 PolarHBondContact O-N 3.14Å; G319-L321 PolarHBondContact O-N 3.35Å; L321-R324 PolarHBondContact O-N 3.43Å; L321-Q325 VanDerWaalsContact O-CB 3.3Å; L321-Q325 WeakPolarHBondContact O-CB 3.25Å; L321-Q325 PolarHBondContact O-N 3.23Å
322	L	98.4	Very high	96.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-70.5	-38	179.9	-61.8	166.1	0	0	0	111	L243 F293 L318 G319 Q325 F326 I398 L415 A418	L243-L322 HydrophobicContact CD2-CD2 4.21Å; F293-L322 HydrophobicContact CE2-CD2 4.35Å; F293-L322 HydrophobicContact CZ-CD2 3.89Å; L318-L322 HydrophobicContact CB-CD1 4.47Å; L318-L322 HydrophobicContact CD2-CD1 3.82Å; L318-L322 HydrophobicContact CD2-CG 4.4Å; L318-L322 HydrophobicContact CG-CD1 3.88Å; L318-L322 HydrophobicContact CG-CG 4.13Å; L318-L322 PolarHBondContact O-N 3.19Å; L318-L322 VanDerWaalsContact O-N 3.12Å; G319-L322 PolarHBondContact O-N 2.86Å; L322-Q325 PolarHBondContact O-N 3.24Å; L322-F326 HydrophobicContact CB-CD2 4.37Å; L322-F326 HydrophobicContact CD2-CE2 3.84Å; L322-F326 WeakPolarHBondContact O-CB 3.25Å; L322-F326 WeakPolarHBondContact O-CD2 3.4Å; L322-F326 PolarHBondContact O-N 2.68Å; L322-I398 HydrophobicContact CD1-CD1 4.24Å; L322-I398 HydrophobicContact CD1-CG1 4.03Å; L322-I398 HydrophobicContact CD1-CG2 4.31Å; L322-I398 HydrophobicContact CD2-CD1 3.92Å; L322-I398 HydrophobicContact CD2-CG1 4.19Å; L322-I398 HydrophobicContact CG-CD1 4.47Å; L322-L415 HydrophobicContact CD1-CD2 3.49Å; L322-L415 VanDerWaalsContact CD1-CD2 3.49Å; L322-A418 HydrophobicContact CB-CB 3.73Å
323	L	98.4	Very high	96.5	Very high	32 Å²	32	46.9 Å²	46.9	17%	0.168	23%	0.233	C	C	.	.	H	α-helix	trans	-58.5	-51.4	169.4	-75	172.9	0	0	0	111	G319 Q325 F326 S327 D414 E417 A418 L421	G319-L323 WeakPolarHBondContact O-CB 3.48Å; G319-L323 WeakPolarHBondContact O-CG 3.33Å; G319-L323 PolarHBondContact O-N 2.76Å; L323-Q325 VanDerWaalsContact C-N 3.29Å; L323-Q325 PolarHBondContact O-N 2.66Å; L323-F326 PolarHBondContact O-N 2.98Å; L323-S327 VanDerWaalsContact O-CB 3.22Å; L323-S327 WeakPolarHBondContact O-CB 3.3Å; L323-S327 PolarHBondContact O-N 2.71Å; L323-S327 PolarHBondContact O-OG 2.95Å; L323-D414 HydrophobicContact CD1-CB 3.85Å; L323-E417 HydrophobicContact CD2-CB 3.98Å; L323-E417 HydrophobicContact CD2-CG 3.75Å; L323-A418 HydrophobicContact CD2-CB 3.97Å; L323-A418 HydrophobicContact CG-CB 4.15Å; L323-L421 HydrophobicContact CD2-CD1 4.08Å
324	R	97.4	Very high	96.6	Very high	120 Å²	120	46.7 Å²	46.7	45%	0.453	23%	0.233	S	C	.	.	H	α-helix	trans	-61.6	-35	177.4	-76.3	-177.9	-71.9	134	-11.5	113.2	D320 L321 C330	D320-R324 WeakPolarHBondContact O-CG 3.32Å; D320-R324 PolarHBondContact O-N 2.65Å; D320-R324 PolarHBondContact O-NE 3.02Å; D320-R324 IonicContact OD2-CZ 2.85Å; D320-R324 IonicContact OD2-NE 2.66Å; D320-R324 IonicContact OD2-NH2 3.96Å; D320-R324 PolarHBondContact OD2-NH2 3.27Å; L321-R324 PolarHBondContact O-N 3.43Å; R324-C330 WeakPolarHBondContact O-CB 3.47Å
325	Q	97.9	Very high	96.7	Very high	8 Å²	8	47.8 Å²	47.8	4%	0.037	24%	0.236	C	C	.	.	H	α-helix	trans	-76	-30.6	-178.8	-172.1	56	63.5	0	0	113.8	F293 L321 L322 L323	F293-Q325 HydrophobicContact CB-CG 4.47Å; F293-Q325 VanDerWaalsContact CB-OE1 3.23Å; F293-Q325 HydrophobicContact CD1-CG 4.25Å; F293-Q325 HydrophobicContact CD2-CB 3.95Å; F293-Q325 HydrophobicContact CD2-CG 3.55Å; F293-Q325 VanDerWaalsContact CD2-OE1 3.23Å; F293-Q325 HydrophobicContact CE1-CG 4.41Å; F293-Q325 HydrophobicContact CE2-CB 3.88Å; F293-Q325 HydrophobicContact CE2-CG 3.74Å; F293-Q325 HydrophobicContact CG-CG 3.84Å; F293-Q325 HydrophobicContact CZ-CG 4.18Å; L321-Q325 VanDerWaalsContact O-CB 3.3Å; L321-Q325 WeakPolarHBondContact O-CB 3.25Å; L321-Q325 PolarHBondContact O-N 3.23Å; L322-Q325 PolarHBondContact O-N 3.24Å; L323-Q325 VanDerWaalsContact C-N 3.29Å; L323-Q325 PolarHBondContact O-N 2.66Å
326	F	98.1	Very high	96.8	Very high	1 Å²	1	54 Å²	54	0%	0.004	26%	0.263	C	S	.	.	S	Bend	trans	-120	23.7	-172.4	-54.2	-60.6	0	0	0	113.5	L322 L323 M334 Y394 I398 L422 L425	L322-F326 HydrophobicContact CB-CD2 4.37Å; L322-F326 HydrophobicContact CD2-CE2 3.84Å; L322-F326 WeakPolarHBondContact O-CB 3.25Å; L322-F326 WeakPolarHBondContact O-CD2 3.4Å; L322-F326 PolarHBondContact O-N 2.68Å; L323-F326 PolarHBondContact O-N 2.98Å; F326-M334 HydrophobicContact CD1-CE 4.08Å; F326-M334 HydrophobicContact CD1-SD 3.95Å; F326-M334 HydrophobicContact CE1-CE 3.73Å; F326-M334 HydrophobicContact CE1-SD 3.86Å; F326-Y394 AromaticContact CE1-CD2 3.71Å; F326-Y394 HydrophobicContact CE1-CD2 3.71Å; F326-Y394 AromaticContact CE1-CE2 3.89Å; F326-Y394 HydrophobicContact CE1-CE2 3.89Å; F326-Y394 HydrophobicContact CE1-CG 4.29Å; F326-Y394 HydrophobicContact CZ-CD1 4.12Å; F326-Y394 AromaticContact CZ-CD2 3.6Å; F326-Y394 HydrophobicContact CZ-CD2 3.6Å; F326-Y394 HydrophobicContact CZ-CE1 4.39Å; F326-Y394 AromaticContact CZ-CE2 3.91Å; F326-Y394 HydrophobicContact CZ-CE2 3.91Å; F326-Y394 AromaticContact CZ-CG 3.71Å; F326-Y394 HydrophobicContact CZ-CG 3.71Å; F326-I398 HydrophobicContact CD2-CD1 4.27Å; F326-I398 HydrophobicContact CE2-CD1 3.83Å; F326-L422 HydrophobicContact CB-CB 4.25Å; F326-L422 HydrophobicContact CD1-CD1 3.74Å; F326-L422 HydrophobicContact CD2-CB 4.47Å; F326-L422 HydrophobicContact CD2-CD2 4.49Å; F326-L422 HydrophobicContact CE1-CD1 3.85Å; F326-L422 HydrophobicContact CE2-CD2 4.44Å; F326-L422 HydrophobicContact CG-CB 4.23Å; F326-L422 HydrophobicContact CG-CD1 4.13Å; F326-L422 HydrophobicContact CZ-CD1 4.35Å; F326-L425 HydrophobicContact CD1-CD2 4.27Å
327	S	96.4	Very high	97.2	Very high	44 Å²	44	45.4 Å²	45.4	31%	0.308	23%	0.231	S	C	.	.	S	Bend	trans	-136.8	171	171	73.8	0	0	0	0	112.1	L323 C330 A331	L323-S327 VanDerWaalsContact O-CB 3.22Å; L323-S327 WeakPolarHBondContact O-CB 3.3Å; L323-S327 PolarHBondContact O-N 2.71Å; L323-S327 PolarHBondContact O-OG 2.95Å; S327-C330 PolarHBondContact O-N 3.25Å; S327-A331 PolarHBondContact O-N 2.86Å
328	G	95.9	Very high	97.4	Very high	55 Å²	55	40.4 Å²	40.4	57%	0.567	21%	0.212	S	C	*	.	H	α-helix	trans	54.8	-140.6	174.8	0	0	0	0	0	113.4	C330 A331 E332	G328-C330 VanDerWaalsContact C-N 3.31Å; G328-C330 PolarHBondContact O-N 3.2Å; G328-A331 WeakPolarHBondContact O-CB 3.4Å; G328-A331 PolarHBondContact O-N 3.49Å; G328-A331 VanDerWaalsContact O-N 3.12Å; G328-E332 PolarHBondContact O-N 2.8Å
329	Q	95.1	Very high	97.5	Very high	126 Å²	126	40.4 Å²	40.4	59%	0.589	21%	0.212	S	C	*	.	H	α-helix	trans	-59.1	-39.7	-177.7	-172.5	55.3	47.7	0	0	112.5	A331 E332 D333	Q329-A331 VanDerWaalsContact C-N 3.29Å; Q329-A331 PolarHBondContact O-N 3.33Å; Q329-E332 PolarHBondContact O-N 3.23Å; Q329-D333 WeakPolarHBondContact CG-OD2 3.17Å; Q329-D333 PolarHBondContact NE2-OD1 3.18Å; Q329-D333 PolarHBondContact NE2-OD2 2.78Å; Q329-D333 WeakPolarHBondContact O-CB 3.49Å; Q329-D333 PolarHBondContact O-N 2.87Å
330	C	96.1	Very high	97.4	Very high	53 Å²	53	43 Å²	43	36%	0.358	23%	0.225	S	C	.	.	H	α-helix	trans	-64.4	-31.5	178.3	-63.7	0	0	0	0	113	R324 S327 G328 M334	R324-C330 WeakPolarHBondContact O-CB 3.47Å; S327-C330 PolarHBondContact O-N 3.25Å; G328-C330 VanDerWaalsContact C-N 3.31Å; G328-C330 PolarHBondContact O-N 3.2Å; C330-M334 WeakPolarHBondContact O-CB 3.31Å; C330-M334 PolarHBondContact O-N 3.38Å
331	A	97.8	Very high	97.4	Very high	12 Å²	12	41.2 Å²	41.2	10%	0.099	22%	0.215	C	C	.	.	H	α-helix	trans	-69.7	-44.5	171.7	0	0	0	0	0	112.1	S327 G328 Q329 M334 K335 L425	S327-A331 PolarHBondContact O-N 2.86Å; G328-A331 WeakPolarHBondContact O-CB 3.4Å; G328-A331 PolarHBondContact O-N 3.49Å; G328-A331 VanDerWaalsContact O-N 3.12Å; Q329-A331 VanDerWaalsContact C-N 3.29Å; Q329-A331 PolarHBondContact O-N 3.33Å; A331-M334 PolarHBondContact O-N 3.02Å; A331-K335 VanDerWaalsContact O-CB 3.32Å; A331-K335 WeakPolarHBondContact O-CB 3.23Å; A331-K335 PolarHBondContact O-N 3.18Å; A331-L425 HydrophobicContact CB-CD1 4.4Å; A331-L425 HydrophobicContact CB-CD2 4.2Å; A331-L425 VanDerWaalsContact O-CD1 3.24Å; A331-L425 WeakPolarHBondContact O-CD1 3.4Å
332	E	97.7	Very high	97.3	Very high	107 Å²	107	42.4 Å²	42.4	50%	0.5	22%	0.223	S	C	.	.	H	α-helix	trans	-67.5	-38.2	178.5	-71.4	-57	139.4	0	0	112.6	G328 Q329 K335 K336	G328-E332 PolarHBondContact O-N 2.8Å; Q329-E332 PolarHBondContact O-N 3.23Å; E332-K335 WeakPolarHBondContact O-CB 3.42Å; E332-K335 PolarHBondContact O-N 2.82Å; E332-K336 VanDerWaalsContact O-CB 3.31Å; E332-K336 WeakPolarHBondContact O-CB 3.32Å; E332-K336 PolarHBondContact O-N 2.93Å
333	D	97.5	Very high	97.2	Very high	55 Å²	55	42.8 Å²	42.8	29%	0.294	23%	0.226	S	C	.	.	H	α-helix	trans	-65.1	-45.6	172.8	-69.7	-36.9	0	0	0	111.1	L289 Q329 K335 K336 L337	L289-D333 HydrophobicContact CD1-CB 4.47Å; Q329-D333 WeakPolarHBondContact CG-OD2 3.17Å; Q329-D333 PolarHBondContact NE2-OD1 3.18Å; Q329-D333 PolarHBondContact NE2-OD2 2.78Å; Q329-D333 WeakPolarHBondContact O-CB 3.49Å; Q329-D333 PolarHBondContact O-N 2.87Å; D333-K335 VanDerWaalsContact C-N 3.31Å; D333-K335 PolarHBondContact O-N 2.73Å; D333-K336 PolarHBondContact O-N 3.44Å; D333-L337 WeakPolarHBondContact O-CB 3.45Å; D333-L337 WeakPolarHBondContact O-CG 3.35Å; D333-L337 PolarHBondContact O-N 2.85Å
334	M	98.4	Very high	96.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-59.9	-42.6	173.6	-173.1	172.6	-67.1	0	0	111.2	L289 F326 C330 A331 Y338 I391 L425	L289-M334 HydrophobicContact CD1-CB 4.16Å; L289-M334 HydrophobicContact CD2-CE 3.61Å; F326-M334 HydrophobicContact CD1-CE 4.08Å; F326-M334 HydrophobicContact CD1-SD 3.95Å; F326-M334 HydrophobicContact CE1-CE 3.73Å; F326-M334 HydrophobicContact CE1-SD 3.86Å; C330-M334 WeakPolarHBondContact O-CB 3.31Å; C330-M334 PolarHBondContact O-N 3.38Å; A331-M334 PolarHBondContact O-N 3.02Å; M334-Y338 HydrophobicContact CG-CD2 3.67Å; M334-Y338 HydrophobicContact CG-CE2 4.04Å; M334-Y338 WeakPolarHBondContact O-CB 3.17Å; M334-Y338 WeakPolarHBondContact O-CD2 3.07Å; M334-Y338 PolarHBondContact O-N 3.21Å; M334-I391 HydrophobicContact CG-CD1 3.97Å; M334-I391 HydrophobicContact SD-CD1 3.81Å; M334-I391 HydrophobicContact SD-CG1 4.03Å; M334-L425 HydrophobicContact CB-CD2 4.3Å; M334-L425 HydrophobicContact CG-CD2 4.26Å; M334-L425 HydrophobicContact SD-CD2 3.83Å
335	K	98.4	Very high	96.7	Very high	42 Å²	42	42.1 Å²	42.1	18%	0.183	22%	0.223	C	C	.	.	H	α-helix	trans	-58.2	-54.5	176.9	-174	-163	164.2	-158.8	0	110.3	A331 E332 D333 S339 L425 V429 E432	A331-K335 VanDerWaalsContact O-CB 3.32Å; A331-K335 WeakPolarHBondContact O-CB 3.23Å; A331-K335 PolarHBondContact O-N 3.18Å; E332-K335 WeakPolarHBondContact O-CB 3.42Å; E332-K335 PolarHBondContact O-N 2.82Å; D333-K335 VanDerWaalsContact C-N 3.31Å; D333-K335 PolarHBondContact O-N 2.73Å; K335-S339 WeakPolarHBondContact O-CB 3.33Å; K335-S339 PolarHBondContact O-N 2.94Å; K335-S339 PolarHBondContact O-OG 3.25Å; K335-L425 HydrophobicContact CB-CD1 3.69Å; K335-L425 HydrophobicContact CG-CD1 4.4Å; K335-V429 HydrophobicContact CB-CG2 4.35Å; K335-V429 HydrophobicContact CG-CG2 4.1Å; K335-E432 WeakPolarHBondContact CE-OE2 3.45Å; K335-E432 IonicContact NZ-OE2 2.67Å; K335-E432 PolarHBondContact NZ-OE2 3.22Å
336	K	97.6	Very high	96.4	Very high	132 Å²	132	45.3 Å²	45.3	57%	0.574	25%	0.245	S	C	*	.	H	α-helix	trans	-56.1	-54.2	-179.6	177.8	-175.9	174.5	-171.4	0	111.5	E332 D333 S339 E340	E332-K336 VanDerWaalsContact O-CB 3.31Å; E332-K336 WeakPolarHBondContact O-CB 3.32Å; E332-K336 PolarHBondContact O-N 2.93Å; D333-K336 PolarHBondContact O-N 3.44Å; K336-S339 PolarHBondContact O-N 3Å; K336-E340 PolarHBondContact O-N 3.06Å
337	L	98.1	Very high	96.1	Very high	15 Å²	15	51.4 Å²	51.4	8%	0.079	27%	0.271	C	S	.	.	H	α-helix	trans	-65.5	-45.7	-175.3	-65.4	174	0	0	0	112.2	C282 Q285 L286 L289 D333 S339 F341	C282-L337 HydrophobicContact CB-CD2 4.11Å; Q285-L337 HydrophobicContact CB-CD1 3.71Å; Q285-L337 HydrophobicContact CB-CD2 3.51Å; Q285-L337 HydrophobicContact CB-CG 4.27Å; Q285-L337 HydrophobicContact CG-CD2 4.2Å; L286-L337 HydrophobicContact CD2-CB 3.83Å; L286-L337 HydrophobicContact CD2-CD1 4.48Å; L286-L337 HydrophobicContact CG-CB 4.22Å; L289-L337 HydrophobicContact CD1-CD1 3.98Å; D333-L337 WeakPolarHBondContact O-CB 3.45Å; D333-L337 WeakPolarHBondContact O-CG 3.35Å; D333-L337 PolarHBondContact O-N 2.85Å; L337-S339 VanDerWaalsContact C-N 3.34Å; L337-S339 PolarHBondContact O-N 2.87Å; L337-F341 VanDerWaalsContact O-CB 3.23Å; L337-F341 WeakPolarHBondContact O-CB 3.46Å; L337-F341 PolarHBondContact O-N 3.45Å
338	Y	98.5	Very high	96.1	Very high	1 Å²	1	49.3 Å²	49.3	0%	0.004	26%	0.257	C	S	.	.	H	α-helix	trans	-67.1	-34.6	176.8	-90	-90.4	0	0	0	112.7	L286 H290 M334 C342 V387 I391	L286-Y338 HydrophobicContact CD2-CD2 4.04Å; L286-Y338 HydrophobicContact CD2-CE2 3.85Å; H290-Y338 AromaticContact NE2-CE2 3.68Å; H290-Y338 AromaticContact NE2-CZ 3.83Å; H290-Y338 PolarHBondContact NE2-OH 3.38Å; H290-Y338 VanDerWaalsContact NE2-OH 3.13Å; M334-Y338 HydrophobicContact CG-CD2 3.67Å; M334-Y338 HydrophobicContact CG-CE2 4.04Å; M334-Y338 WeakPolarHBondContact O-CB 3.17Å; M334-Y338 WeakPolarHBondContact O-CD2 3.07Å; M334-Y338 PolarHBondContact O-N 3.21Å; Y338-C342 WeakPolarHBondContact O-CB 3.47Å; Y338-C342 PolarHBondContact O-N 3.34Å; Y338-C342 PolarHBondContact O-SG 2.82Å; Y338-V387 WeakPolarHBondContact CE1-O 3.48Å; Y338-V387 PolarHBondContact OH-O 3.01Å; Y338-I391 HydrophobicContact CD1-CB 4.09Å; Y338-I391 HydrophobicContact CD1-CD1 4.41Å; Y338-I391 HydrophobicContact CD1-CG2 3.8Å; Y338-I391 HydrophobicContact CD2-CD1 4.15Å; Y338-I391 HydrophobicContact CE1-CB 3.75Å; Y338-I391 HydrophobicContact CE1-CG2 3.75Å; Y338-I391 HydrophobicContact CE2-CB 4.34Å; Y338-I391 HydrophobicContact CG-CD1 4.08Å; Y338-I391 HydrophobicContact CG-CG2 4.49Å
339	S	97.6	Very high	96.1	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.007	24%	0.235	C	C	.	.	H	α-helix	trans	-70.2	-42.3	179.5	-55	0	0	0	0	112.2	K335 K336 L337 S343 E432	K335-S339 WeakPolarHBondContact O-CB 3.33Å; K335-S339 PolarHBondContact O-N 2.94Å; K335-S339 PolarHBondContact O-OG 3.25Å; K336-S339 PolarHBondContact O-N 3Å; L337-S339 VanDerWaalsContact C-N 3.34Å; L337-S339 PolarHBondContact O-N 2.87Å; S339-S343 VanDerWaalsContact O-CB 3.27Å; S339-S343 WeakPolarHBondContact O-CB 3.5Å; S339-S343 PolarHBondContact O-N 3.09Å; S339-S343 VanDerWaalsContact O-N 3.08Å; S339-S343 PolarHBondContact O-OG 3.38Å; S339-E432 WeakPolarHBondContact OG-CB 3.49Å
340	E	95.4	Very high	96.2	Very high	55 Å²	55	47.6 Å²	47.6	26%	0.257	23%	0.233	S	C	.	.	H	α-helix	trans	-67.3	-39.6	174.7	-171.2	177.7	173	0	0	111.7	C282 K336 S343 R344	C282-E340 WeakPolarHBondContact SG-CG 3.38Å; K336-E340 PolarHBondContact O-N 3.06Å; E340-S343 PolarHBondContact O-OG 3.31Å; E340-R344 VanDerWaalsContact CG-CZ 3.46Å; E340-R344 WeakPolarHBondContact O-CB 3.24Å; E340-R344 WeakPolarHBondContact O-CD 3.48Å; E340-R344 WeakPolarHBondContact O-CG 3.31Å; E340-R344 PolarHBondContact O-N 3.33Å; E340-R344 IonicContact OE1-CZ 3.98Å; E340-R344 IonicContact OE1-NH1 2.59Å; E340-R344 PolarHBondContact OE1-NH1 3.18Å; E340-R344 IonicContact OE1-NH2 2.69Å; E340-R344 PolarHBondContact OE1-NH2 3.19Å
341	F	96.4	Very high	96.2	Very high	2 Å²	2	47 Å²	47	1%	0.009	23%	0.226	C	C	.	.	H	α-helix	trans	-67.3	-48.8	176.8	-166.9	-90	0	0	0	112.5	M257 P281 L286 L337 R344 H345 I384 V387 T388	M257-F341 HydrophobicContact CE-CE2 4.5Å; M257-F341 HydrophobicContact CE-CZ 4.18Å; P281-F341 HydrophobicContact CG-CD2 4.03Å; P281-F341 HydrophobicContact CG-CE2 4.44Å; P281-F341 WeakPolarHBondContact O-CD2 3.36Å; P281-F341 WeakPolarHBondContact O-CE2 3.43Å; L286-F341 HydrophobicContact CD1-CB 4.16Å; L286-F341 HydrophobicContact CD1-CD2 3.48Å; L286-F341 VanDerWaalsContact CD1-CD2 3.48Å; L286-F341 HydrophobicContact CD1-CE2 4.01Å; L286-F341 HydrophobicContact CD1-CG 3.89Å; L337-F341 VanDerWaalsContact O-CB 3.23Å; L337-F341 WeakPolarHBondContact O-CB 3.46Å; L337-F341 PolarHBondContact O-N 3.45Å; F341-R344 PolarHBondContact O-N 3.03Å; F341-H345 PolarHBondContact O-N 3.34Å; F341-H345 VanDerWaalsContact O-N 3.11Å; F341-I384 HydrophobicContact CE1-CG2 3.8Å; F341-I384 HydrophobicContact CZ-CB 4.42Å; F341-I384 HydrophobicContact CZ-CG2 3.81Å; F341-V387 HydrophobicContact CD1-CG1 4Å; F341-V387 HydrophobicContact CE1-CB 3.75Å; F341-V387 HydrophobicContact CE1-CG1 3.54Å; F341-V387 HydrophobicContact CE2-CG1 4.22Å; F341-V387 HydrophobicContact CZ-CB 3.85Å; F341-V387 HydrophobicContact CZ-CG1 3.67Å; F341-V387 HydrophobicContact CZ-CG2 4.44Å; F341-T388 HydrophobicContact CD1-CG2 3.84Å; F341-T388 HydrophobicContact CE1-CG2 3.81Å
342	C	96.8	Very high	96.2	Very high	30 Å²	30	46.8 Å²	46.8	20%	0.203	22%	0.223	C	C	.	.	H	α-helix	trans	-70.7	-42.6	-175.7	-66.5	0	0	0	0	112.5	Y338 R344 H345 V433	Y338-C342 WeakPolarHBondContact O-CB 3.47Å; Y338-C342 PolarHBondContact O-N 3.34Å; Y338-C342 PolarHBondContact O-SG 2.82Å; C342-R344 PolarHBondContact O-N 2.91Å; C342-H345 VanDerWaalsContact O-CB 3.3Å; C342-H345 WeakPolarHBondContact O-CB 3.25Å; C342-H345 PolarHBondContact O-N 3.43Å; C342-H345 VanDerWaalsContact O-N 3.11Å; C342-V433 HydrophobicContact CB-CG2 3.71Å
343	S	95.1	Very high	96.1	Very high	8 Å²	8	45 Å²	45	6%	0.056	21%	0.213	C	C	.	.	H	α-helix	trans	-63.4	-24.2	175.7	61.1	0	0	0	0	113.2	S339 E340 R440	S339-S343 VanDerWaalsContact O-CB 3.27Å; S339-S343 WeakPolarHBondContact O-CB 3.5Å; S339-S343 PolarHBondContact O-N 3.09Å; S339-S343 VanDerWaalsContact O-N 3.08Å; S339-S343 PolarHBondContact O-OG 3.38Å; E340-S343 PolarHBondContact O-OG 3.31Å; S343-R440 PolarHBondContact O-NH1 3.29Å
344	R	92.9	Very high	96.1	Very high	88 Å²	88	45.7 Å²	45.7	33%	0.332	22%	0.215	S	C	.	.	H	α-helix	trans	-88.9	-17.1	174.9	-69.5	178.6	-177.5	169.9	14.5	114.1	P281 E340 F341 C342 P346 K347 A348	P281-R344 HydrophobicContact CG-CB 4.02Å; E340-R344 VanDerWaalsContact CG-CZ 3.46Å; E340-R344 WeakPolarHBondContact O-CB 3.24Å; E340-R344 WeakPolarHBondContact O-CD 3.48Å; E340-R344 WeakPolarHBondContact O-CG 3.31Å; E340-R344 PolarHBondContact O-N 3.33Å; E340-R344 IonicContact OE1-CZ 3.98Å; E340-R344 IonicContact OE1-NH1 2.59Å; E340-R344 PolarHBondContact OE1-NH1 3.18Å; E340-R344 IonicContact OE1-NH2 2.69Å; E340-R344 PolarHBondContact OE1-NH2 3.19Å; F341-R344 PolarHBondContact O-N 3.03Å; C342-R344 PolarHBondContact O-N 2.91Å; R344-P346 VanDerWaalsContact C-CD 3.49Å; R344-K347 WeakPolarHBondContact O-CA 3.47Å; R344-K347 WeakPolarHBondContact O-CB 3.3Å; R344-K347 PolarHBondContact O-N 3.23Å; R344-A348 PolarHBondContact O-N 3.29Å
345	H	92.4	Very high	96	Very high	49 Å²	49	46.8 Å²	46.8	23%	0.227	22%	0.222	C	C	.	.	H	α-helix	trans	-47.3	-47.8	-176.6	175.3	97.1	0	0	0	114.1	F341 C342 K347 A348 V349 I384 T388	F341-H345 PolarHBondContact O-N 3.34Å; F341-H345 VanDerWaalsContact O-N 3.11Å; C342-H345 VanDerWaalsContact O-CB 3.3Å; C342-H345 WeakPolarHBondContact O-CB 3.25Å; C342-H345 PolarHBondContact O-N 3.43Å; C342-H345 VanDerWaalsContact O-N 3.11Å; H345-K347 VanDerWaalsContact C-N 3.33Å; H345-K347 PolarHBondContact O-N 2.99Å; H345-A348 PolarHBondContact O-N 2.88Å; H345-V349 WeakPolarHBondContact O-CB 3.24Å; H345-V349 WeakPolarHBondContact O-CG2 3.4Å; H345-V349 PolarHBondContact O-N 3.11Å; H345-I384 VanDerWaalsContact ND1-CG2 3.34Å; H345-I384 WeakPolarHBondContact ND1-CG2 3.2Å; H345-T388 HydrophobicContact CB-CG2 4.42Å
346	P	91.8	Very high	95.9	Very high	76 Å²	76	46.5 Å²	46.5	49%	0.494	22%	0.222	S	C	.	.	H	α-helix	trans	-64.7	-36.3	179.8	-20.6	33.9	0	0	0	112.9	R344 K350	R344-P346 VanDerWaalsContact C-CD 3.49Å; P346-K350 WeakPolarHBondContact O-CB 3.27Å; P346-K350 PolarHBondContact O-N 3.17Å; P346-K350 VanDerWaalsContact O-N 3.09Å
347	K	93.1	Very high	95.8	Very high	128 Å²	128	46.2 Å²	46.2	56%	0.557	23%	0.227	S	C	*	.	H	α-helix	trans	-70.9	-46.2	177.6	-173.4	-174.7	178	-169.7	0	110.9	T278 R344 H345 K350 L351	T278-K347 HydrophobicContact CG2-CD 4.14Å; T278-K347 HydrophobicContact CG2-CG 4.41Å; R344-K347 WeakPolarHBondContact O-CA 3.47Å; R344-K347 WeakPolarHBondContact O-CB 3.3Å; R344-K347 PolarHBondContact O-N 3.23Å; H345-K347 VanDerWaalsContact C-N 3.33Å; H345-K347 PolarHBondContact O-N 2.99Å; K347-K350 PolarHBondContact O-N 2.89Å; K347-L351 VanDerWaalsContact O-CB 3.32Å; K347-L351 WeakPolarHBondContact O-CB 3.32Å; K347-L351 PolarHBondContact O-N 3.35Å
348	A	95.8	Very high	95.7	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.008	26%	0.258	C	S	.	.	H	α-helix	trans	-58.4	-50.7	177.9	0	0	0	0	0	111.7	T278 R344 H345 K350 L351 Y352	T278-A348 WeakPolarHBondContact O-CB 3.22Å; R344-A348 PolarHBondContact O-N 3.29Å; H345-A348 PolarHBondContact O-N 2.88Å; A348-K350 PolarHBondContact O-N 2.95Å; A348-L351 PolarHBondContact O-N 3.06Å; A348-Y352 WeakPolarHBondContact O-CB 3.42Å; A348-Y352 PolarHBondContact O-N 2.77Å
349	V	95.7	Very high	95.6	Very high	17 Å²	17	56.6 Å²	56.6	10%	0.103	27%	0.268	C	S	.	.	H	α-helix	trans	-65.5	-35.9	178.9	169.2	0	0	0	0	112.2	H345 K353 Q381	H345-V349 WeakPolarHBondContact O-CB 3.24Å; H345-V349 WeakPolarHBondContact O-CG2 3.4Å; H345-V349 PolarHBondContact O-N 3.11Å; V349-K353 HydrophobicContact CG1-CD 4.27Å; V349-K353 WeakPolarHBondContact O-CD 3.4Å; V349-K353 WeakPolarHBondContact O-CG 3.39Å; V349-K353 PolarHBondContact O-N 3.09Å; V349-Q381 HydrophobicContact CG1-CG 4.21Å
350	K	96.3	Very high	95.5	Very high	128 Å²	128	65.8 Å²	65.8	56%	0.557	30%	0.302	S	S	*	.	H	α-helix	trans	-67.1	-50.1	174	178.2	178.7	170.5	-177.6	0	111.4	P346 K347 A348 Y352 K353 E354	P346-K350 WeakPolarHBondContact O-CB 3.27Å; P346-K350 PolarHBondContact O-N 3.17Å; P346-K350 VanDerWaalsContact O-N 3.09Å; K347-K350 PolarHBondContact O-N 2.89Å; A348-K350 PolarHBondContact O-N 2.95Å; K350-Y352 PolarHBondContact O-N 3.21Å; K350-K353 WeakPolarHBondContact O-CB 3.43Å; K350-K353 PolarHBondContact O-N 3.18Å; K350-K353 VanDerWaalsContact O-N 3.17Å; K350-E354 WeakPolarHBondContact CE-OE1 3.5Å; K350-E354 WeakPolarHBondContact CG-OE1 3.13Å; K350-E354 IonicContact NZ-OE1 3.14Å; K350-E354 PolarHBondContact O-N 3.08Å
351	L	96.9	Very high	95.5	Very high	40 Å²	40	69.8 Å²	69.8	21%	0.209	32%	0.315	C	S	.	.	H	α-helix	trans	-60.2	-46.9	179.8	179.5	60.5	0	0	0	111.2	V275 T278 I279 K347 A348 K353 E354 V355	V275-L351 HydrophobicContact CG1-CD2 4.19Å; V275-L351 HydrophobicContact CG1-CG 4.43Å; T278-L351 HydrophobicContact CG2-CD2 3.46Å; T278-L351 VanDerWaalsContact CG2-CD2 3.46Å; I279-L351 HydrophobicContact CG1-CD2 4.13Å; I279-L351 HydrophobicContact CG1-CG 4.23Å; K347-L351 VanDerWaalsContact O-CB 3.32Å; K347-L351 WeakPolarHBondContact O-CB 3.32Å; K347-L351 PolarHBondContact O-N 3.35Å; A348-L351 PolarHBondContact O-N 3.06Å; L351-K353 VanDerWaalsContact C-N 3.3Å; L351-K353 PolarHBondContact O-N 3.22Å; L351-E354 PolarHBondContact O-N 2.92Å; L351-E354 VanDerWaalsContact O-N 3.09Å; L351-V355 HydrophobicContact CD1-CG2 3.98Å; L351-V355 HydrophobicContact CG-CG2 4.36Å; L351-V355 WeakPolarHBondContact O-CG2 3.45Å; L351-V355 PolarHBondContact O-N 3.23Å
352	Y	97.3	Very high	95.4	Very high	7 Å²	7	69.7 Å²	69.7	3%	0.027	31%	0.314	C	S	.	.	H	α-helix	trans	-55.6	-43.3	174.9	173.2	-108	0	0	0	112.1	M265 I279 A348 K350 L356 L362 I366 V380 Q381	M265-Y352 HydrophobicContact CE-CD2 4.2Å; M265-Y352 HydrophobicContact CE-CE2 3.98Å; I279-Y352 HydrophobicContact CD1-CD2 4.45Å; A348-Y352 WeakPolarHBondContact O-CB 3.42Å; A348-Y352 PolarHBondContact O-N 2.77Å; K350-Y352 PolarHBondContact O-N 3.21Å; Y352-L356 HydrophobicContact CE1-CD2 3.97Å; Y352-L356 WeakPolarHBondContact O-CB 3.23Å; Y352-L356 PolarHBondContact O-N 2.91Å; Y352-L362 HydrophobicContact CE2-CD2 4.38Å; Y352-I366 HydrophobicContact CE2-CD1 4.32Å; Y352-I366 HydrophobicContact CE2-CG1 4.43Å; Y352-V380 HydrophobicContact CD1-CB 4.29Å; Y352-V380 HydrophobicContact CD1-CG1 4.24Å; Y352-V380 HydrophobicContact CD2-CB 4.2Å; Y352-V380 HydrophobicContact CD2-CG1 3.9Å; Y352-V380 HydrophobicContact CD2-CG2 4.4Å; Y352-V380 HydrophobicContact CE1-CB 3.89Å; Y352-V380 HydrophobicContact CE1-CG1 4.34Å; Y352-V380 HydrophobicContact CE2-CB 3.8Å; Y352-V380 HydrophobicContact CE2-CG1 4.02Å; Y352-V380 HydrophobicContact CE2-CG2 3.71Å; Y352-V380 HydrophobicContact CG-CB 4.43Å; Y352-V380 HydrophobicContact CG-CG1 4.02Å; Y352-Q381 HydrophobicContact CD1-CG 3.75Å; Y352-Q381 HydrophobicContact CE1-CG 3.94Å
353	K	96.9	Very high	95.3	Very high	69 Å²	69	70.9 Å²	70.9	30%	0.3	32%	0.317	S	S	.	.	H	α-helix	trans	-63.7	-41	175	-77.1	166.2	174.5	146.6	0	112.7	V349 K350 L351 N357 Q381	V349-K353 HydrophobicContact CG1-CD 4.27Å; V349-K353 WeakPolarHBondContact O-CD 3.4Å; V349-K353 WeakPolarHBondContact O-CG 3.39Å; V349-K353 PolarHBondContact O-N 3.09Å; K350-K353 WeakPolarHBondContact O-CB 3.43Å; K350-K353 PolarHBondContact O-N 3.18Å; K350-K353 VanDerWaalsContact O-N 3.17Å; L351-K353 VanDerWaalsContact C-N 3.3Å; L351-K353 PolarHBondContact O-N 3.22Å; K353-N357 VanDerWaalsContact O-CB 3.29Å; K353-N357 WeakPolarHBondContact O-CB 3.31Å; K353-N357 PolarHBondContact O-N 3.06Å; K353-N357 PolarHBondContact O-ND2 3.47Å; K353-N357 VanDerWaalsContact O-ND2 3.12Å; K353-Q381 VanDerWaalsContact CE-CD 3.44Å
354	E	97.1	Very high	95.2	Very high	70 Å²	70	76.1 Å²	76.1	33%	0.327	34%	0.341	S	S	.	.	H	α-helix	trans	-68.9	-42.9	180	-73.1	179.5	-164.3	0	0	112.3	K350 L351 R358	K350-E354 WeakPolarHBondContact CE-OE1 3.5Å; K350-E354 WeakPolarHBondContact CG-OE1 3.13Å; K350-E354 IonicContact NZ-OE1 3.14Å; K350-E354 PolarHBondContact O-N 3.08Å; L351-E354 PolarHBondContact O-N 2.92Å; L351-E354 VanDerWaalsContact O-N 3.09Å; E354-R358 VanDerWaalsContact O-CG 3.29Å; E354-R358 WeakPolarHBondContact O-CG 3.47Å; E354-R358 PolarHBondContact O-N 3.22Å
355	V	96.3	Very high	95.1	Very high	24 Å²	24	72 Å²	72	15%	0.145	33%	0.325	C	S	.	.	H	α-helix	trans	-66.9	-47.1	174.4	-176.2	0	0	0	0	110.2	L271 V275 L351 N357 R358 D359 L362	L271-V355 HydrophobicContact CD1-CG1 4.05Å; L271-V355 HydrophobicContact CD2-CG1 4.01Å; V275-V355 HydrophobicContact CG1-CG2 4.05Å; L351-V355 HydrophobicContact CD1-CG2 3.98Å; L351-V355 HydrophobicContact CG-CG2 4.36Å; L351-V355 WeakPolarHBondContact O-CG2 3.45Å; L351-V355 PolarHBondContact O-N 3.23Å; V355-N357 VanDerWaalsContact C-N 3.27Å; V355-N357 PolarHBondContact O-N 2.75Å; V355-R358 PolarHBondContact O-N 2.87Å; V355-D359 HydrophobicContact CG1-CB 4.39Å; V355-D359 PolarHBondContact O-N 3.17Å; V355-L362 HydrophobicContact CB-CD2 4.12Å; V355-L362 HydrophobicContact CG1-CD2 3.65Å
356	L	95.7	Very high	95	Very high	36 Å²	36	70.4 Å²	70.4	19%	0.188	32%	0.318	C	S	.	.	H	α-helix	trans	-60.9	-33.3	178.6	-176.3	68.6	0	0	0	112.8	Y352 L362 Q363 I366	Y352-L356 HydrophobicContact CE1-CD2 3.97Å; Y352-L356 WeakPolarHBondContact O-CB 3.23Å; Y352-L356 PolarHBondContact O-N 2.91Å; L356-L362 HydrophobicContact CB-CD2 4.13Å; L356-L362 HydrophobicContact CD1-CD2 4.29Å; L356-L362 HydrophobicContact CD1-CG 4Å; L356-Q363 HydrophobicContact CD1-CG 4.03Å; L356-Q363 WeakPolarHBondContact O-CG 3.39Å; L356-Q363 PolarHBondContact O-NE2 3.03Å; L356-I366 HydrophobicContact CD1-CB 4.33Å; L356-I366 HydrophobicContact CD1-CG1 4.17Å
357	N	96.3	Very high	94.8	Very high	126 Å²	126	73.3 Å²	73.3	67%	0.674	32%	0.319	S	S	*	.	H	α-helix	trans	-75.2	-25.3	176.1	-74.7	-25.9	0	0	0	113.2	K353 V355 Q363	K353-N357 VanDerWaalsContact O-CB 3.29Å; K353-N357 WeakPolarHBondContact O-CB 3.31Å; K353-N357 PolarHBondContact O-N 3.06Å; K353-N357 PolarHBondContact O-ND2 3.47Å; K353-N357 VanDerWaalsContact O-ND2 3.12Å; V355-N357 VanDerWaalsContact C-N 3.27Å; V355-N357 PolarHBondContact O-N 2.75Å; N357-Q363 PolarHBondContact O-NE2 2.57Å
358	R	95.8	Very high	94.4	Very high	195 Å²	195	69.7 Å²	69.7	74%	0.736	30%	0.302	S	S	*	.	H	α-helix	trans	-94	-44.1	-177	-70.9	172.8	178.1	155.6	2.8	113.1	E354 V355	E354-R358 VanDerWaalsContact O-CG 3.29Å; E354-R358 WeakPolarHBondContact O-CG 3.47Å; E354-R358 PolarHBondContact O-N 3.22Å; V355-R358 PolarHBondContact O-N 2.87Å
359	D	95.5	Very high	93.8	Very high	39 Å²	39	70.3 Å²	70.3	21%	0.209	31%	0.306	C	S	.	.			trans	-92.9	118.2	-172.8	-177	8.8	0	0	0	112.8	V269 V355 R361 L362 Q363	V269-D359 VanDerWaalsContact CG1-OD2 3.3Å; V269-D359 WeakPolarHBondContact CG1-OD2 3.3Å; V355-D359 HydrophobicContact CG1-CB 4.39Å; V355-D359 PolarHBondContact O-N 3.17Å; D359-R361 WeakPolarHBondContact OD1-CB 3.34Å; D359-R361 PolarHBondContact OD1-N 3.4Å; D359-L362 HydrophobicContact CB-CB 4.12Å; D359-L362 PolarHBondContact OD2-N 3.19Å; D359-Q363 VanDerWaalsContact O-CG 3.29Å; D359-Q363 WeakPolarHBondContact O-CG 3.24Å; D359-Q363 PolarHBondContact O-N 3.37Å; D359-Q363 VanDerWaalsContact O-N 3.11Å
360	R	95.7	Very high	93	Very high	193 Å²	193	71.6 Å²	71.6	73%	0.728	32%	0.315	S	S	*	.	H	α-helix	trans	-70.7	-28.4	176.5	-68.5	-174.9	177.4	-172.4	1.4	113.2	Q363 Q364	R360-Q363 PolarHBondContact O-N 3.41Å; R360-Q364 VanDerWaalsContact O-CG 3.27Å; R360-Q364 WeakPolarHBondContact O-CG 3.42Å; R360-Q364 PolarHBondContact O-N 3.37Å
361	R	95.6	Very high	92	Very high	139 Å²	139	75 Å²	75	53%	0.525	33%	0.325	S	S	.	.	H	α-helix	trans	-65.7	-53	174.9	-63.8	178.7	178.4	177.7	-1.2	109.5	V269 D359 Q363 Q364 F365	V269-R361 HydrophobicContact CG1-CB 3.92Å; V269-R361 PolarHBondContact O-NH1 2.81Å; D359-R361 WeakPolarHBondContact OD1-CB 3.34Å; D359-R361 PolarHBondContact OD1-N 3.4Å; R361-Q363 VanDerWaalsContact C-N 3.27Å; R361-Q363 PolarHBondContact O-N 3.42Å; R361-Q364 WeakPolarHBondContact O-CA 3.44Å; R361-Q364 WeakPolarHBondContact O-CB 3.47Å; R361-Q364 PolarHBondContact O-N 3.36Å; R361-F365 WeakPolarHBondContact O-CB 3.47Å; R361-F365 PolarHBondContact O-N 2.92Å
362	L	95.4	Very high	90.5	Very high	0 Å²	0	74 Å²	74	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-56.5	-41.2	174.9	-171.4	63.3	0	0	0	111.9	M265 V269 L271 Y352 V355 L356 D359 Q364 F365 I366	M265-L362 HydrophobicContact CE-CD1 4.25Å; M265-L362 HydrophobicContact CG-CD1 3.83Å; M265-L362 HydrophobicContact SD-CD1 4.34Å; V269-L362 HydrophobicContact CG1-CB 3.98Å; V269-L362 HydrophobicContact CG1-CD1 4.39Å; V269-L362 HydrophobicContact CG2-CD1 4.23Å; L271-L362 HydrophobicContact CD1-CD1 4.25Å; L271-L362 HydrophobicContact CD1-CD2 4.24Å; Y352-L362 HydrophobicContact CE2-CD2 4.38Å; V355-L362 HydrophobicContact CB-CD2 4.12Å; V355-L362 HydrophobicContact CG1-CD2 3.65Å; L356-L362 HydrophobicContact CB-CD2 4.13Å; L356-L362 HydrophobicContact CD1-CD2 4.29Å; L356-L362 HydrophobicContact CD1-CG 4Å; D359-L362 HydrophobicContact CB-CB 4.12Å; D359-L362 PolarHBondContact OD2-N 3.19Å; L362-Q364 VanDerWaalsContact C-N 3.34Å; L362-Q364 PolarHBondContact O-N 3.02Å; L362-F365 HydrophobicContact CD1-CD1 4.07Å; L362-I366 HydrophobicContact CD1-CD1 4.38Å; L362-I366 HydrophobicContact CD1-CG1 3.93Å; L362-I366 HydrophobicContact CG-CG1 4.18Å; L362-I366 WeakPolarHBondContact O-CB 3.32Å; L362-I366 VanDerWaalsContact O-CG1 3.29Å; L362-I366 WeakPolarHBondContact O-CG1 3Å; L362-I366 PolarHBondContact O-N 3.03Å
363	Q	93.9	Very high	88.7	Confident	56 Å²	56	79 Å²	79	26%	0.262	36%	0.357	S	S	.	.	H	α-helix	trans	-61.2	-38.4	173.7	-70.7	170.3	17.8	0	0	113.2	L356 N357 D359 R360 R361 R367	L356-Q363 HydrophobicContact CD1-CG 4.03Å; L356-Q363 WeakPolarHBondContact O-CG 3.39Å; L356-Q363 PolarHBondContact O-NE2 3.03Å; N357-Q363 PolarHBondContact O-NE2 2.57Å; D359-Q363 VanDerWaalsContact O-CG 3.29Å; D359-Q363 WeakPolarHBondContact O-CG 3.24Å; D359-Q363 PolarHBondContact O-N 3.37Å; D359-Q363 VanDerWaalsContact O-N 3.11Å; R360-Q363 PolarHBondContact O-N 3.41Å; R361-Q363 VanDerWaalsContact C-N 3.27Å; R361-Q363 PolarHBondContact O-N 3.42Å; Q363-R367 VanDerWaalsContact O-CB 3.27Å; Q363-R367 WeakPolarHBondContact O-CB 3.15Å; Q363-R367 VanDerWaalsContact O-CG 3.26Å; Q363-R367 WeakPolarHBondContact O-CG 3.17Å; Q363-R367 PolarHBondContact O-N 2.98Å; Q363-R367 PolarHBondContact O-NE 3.38Å
364	Q	91.9	Very high	86.7	Confident	117 Å²	117	78.3 Å²	78.3	55%	0.547	36%	0.356	S	S	.	.	H	α-helix	trans	-71.4	-50.5	178.4	-75.3	166.4	-15	0	0	110.6	R360 R361 L362 R367 R368	R360-Q364 VanDerWaalsContact O-CG 3.27Å; R360-Q364 WeakPolarHBondContact O-CG 3.42Å; R360-Q364 PolarHBondContact O-N 3.37Å; R361-Q364 WeakPolarHBondContact O-CA 3.44Å; R361-Q364 WeakPolarHBondContact O-CB 3.47Å; R361-Q364 PolarHBondContact O-N 3.36Å; L362-Q364 VanDerWaalsContact C-N 3.34Å; L362-Q364 PolarHBondContact O-N 3.02Å; Q364-R367 CarbonylContact O-C 3.57Å; Q364-R367 WeakPolarHBondContact O-CA 3.46Å; Q364-R367 PolarHBondContact O-N 3.47Å; Q364-R367 VanDerWaalsContact O-N 3.12Å; Q364-R368 PolarHBondContact O-N 3.28Å
365	F	91.6	Very high	85	Confident	1 Å²	1	75.5 Å²	75.5	0%	0.004	34%	0.344	C	S	.	.	H	α-helix	trans	-50.7	-59.2	174.8	170.7	-105.5	0	0	0	112.2	W198 V260 Y261 M265 E268 V269 R361 L362 R367 R368 V369	W198-F365 HydrophobicContact CH2-CE2 4.13Å; W198-F365 AromaticContact CZ3-CE2 3.8Å; W198-F365 HydrophobicContact CZ3-CE2 3.8Å; V260-F365 WeakPolarHBondContact O-CZ 3.39Å; Y261-F365 HydrophobicContact CD1-CE1 4.37Å; M265-F365 HydrophobicContact CG-CE1 4.37Å; E268-F365 WeakPolarHBondContact OE2-CD2 3.35Å; V269-F365 HydrophobicContact CG2-CB 3.64Å; V269-F365 HydrophobicContact CG2-CD1 3.9Å; V269-F365 HydrophobicContact CG2-CD2 4.28Å; V269-F365 HydrophobicContact CG2-CG 3.67Å; R361-F365 WeakPolarHBondContact O-CB 3.47Å; R361-F365 PolarHBondContact O-N 2.92Å; L362-F365 HydrophobicContact CD1-CD1 4.07Å; F365-R367 PolarHBondContact O-N 2.97Å; F365-R368 WeakPolarHBondContact O-CA 3.3Å; F365-R368 WeakPolarHBondContact O-CB 3.47Å; F365-R368 PolarHBondContact O-N 2.84Å; F365-V369 HydrophobicContact CD2-CG2 4.01Å; F365-V369 HydrophobicContact CE1-CG2 4.43Å; F365-V369 HydrophobicContact CE2-CG2 3.62Å; F365-V369 HydrophobicContact CZ-CG2 3.85Å; F365-V369 WeakPolarHBondContact O-CG2 3.32Å; F365-V369 PolarHBondContact O-N 3.29Å
366	I	90.7	Very high	83.4	Confident	17 Å²	17	78.7 Å²	78.7	9%	0.087	35%	0.353	C	S	.	.	H	α-helix	trans	-59.1	-35	179.5	-65.4	-63.2	0	0	0	111.2	Y261 M265 Y352 L356 L362 C370 V380	Y261-I366 HydrophobicContact CD1-CD1 3.97Å; Y261-I366 HydrophobicContact CE1-CD1 3.9Å; M265-I366 HydrophobicContact CE-CD1 4.34Å; Y352-I366 HydrophobicContact CE2-CD1 4.32Å; Y352-I366 HydrophobicContact CE2-CG1 4.43Å; L356-I366 HydrophobicContact CD1-CB 4.33Å; L356-I366 HydrophobicContact CD1-CG1 4.17Å; L362-I366 HydrophobicContact CD1-CD1 4.38Å; L362-I366 HydrophobicContact CD1-CG1 3.93Å; L362-I366 HydrophobicContact CG-CG1 4.18Å; L362-I366 WeakPolarHBondContact O-CB 3.32Å; L362-I366 VanDerWaalsContact O-CG1 3.29Å; L362-I366 WeakPolarHBondContact O-CG1 3Å; L362-I366 PolarHBondContact O-N 3.03Å; I366-C370 WeakPolarHBondContact O-CB 3.31Å; I366-C370 PolarHBondContact O-N 3.44Å; I366-C370 PolarHBondContact O-SG 2.85Å; I366-V380 HydrophobicContact CD1-CG2 3.96Å
367	R	86.9	Confident	81.9	Confident	136 Å²	136	88 Å²	88	51%	0.513	39%	0.386	S	S	.	.	H	α-helix	trans	-74.8	-20.6	174.6	-79.8	-179.5	-66.8	169.6	-2.2	114.6	Q363 Q364 F365 R371	Q363-R367 VanDerWaalsContact O-CB 3.27Å; Q363-R367 WeakPolarHBondContact O-CB 3.15Å; Q363-R367 VanDerWaalsContact O-CG 3.26Å; Q363-R367 WeakPolarHBondContact O-CG 3.17Å; Q363-R367 PolarHBondContact O-N 2.98Å; Q363-R367 PolarHBondContact O-NE 3.38Å; Q364-R367 CarbonylContact O-C 3.57Å; Q364-R367 WeakPolarHBondContact O-CA 3.46Å; Q364-R367 PolarHBondContact O-N 3.47Å; Q364-R367 VanDerWaalsContact O-N 3.12Å; F365-R367 PolarHBondContact O-N 2.97Å; R367-R371 WeakPolarHBondContact O-CD 3.32Å; R367-R371 VanDerWaalsContact O-CG 3.26Å; R367-R371 WeakPolarHBondContact O-CG 3.45Å; R367-R371 PolarHBondContact O-NE 3.37Å
368	R	85.7	Confident	81	Confident	52 Å²	52	84.6 Å²	84.6	20%	0.196	37%	0.366	C	S	.	.	H	α-helix	trans	-76	-63.6	170.2	-161.5	-165.3	-55.3	116.5	4.5	108.2	E268 Q364 F365 C370 R371	E268-R368 IonicContact OE1-CZ 2.91Å; E268-R368 VanDerWaalsContact OE1-CZ 3.26Å; E268-R368 IonicContact OE1-NH1 2.72Å; E268-R368 PolarHBondContact OE1-NH1 2.84Å; E268-R368 IonicContact OE1-NH2 3.26Å; E268-R368 PolarHBondContact OE1-NH2 3.05Å; E268-R368 IonicContact OE2-CZ 2.78Å; E268-R368 IonicContact OE2-NH1 2.71Å; E268-R368 PolarHBondContact OE2-NH1 3.3Å; E268-R368 IonicContact OE2-NH2 3.84Å; Q364-R368 PolarHBondContact O-N 3.28Å; F365-R368 WeakPolarHBondContact O-CA 3.3Å; F365-R368 WeakPolarHBondContact O-CB 3.47Å; F365-R368 PolarHBondContact O-N 2.84Å; R368-C370 VanDerWaalsContact C-N 3.34Å; R368-C370 PolarHBondContact O-N 2.74Å; R368-R371 WeakPolarHBondContact O-CB 3.41Å; R368-R371 PolarHBondContact O-N 3.34Å
369	V	82.3	Confident	80.6	Confident	14 Å²	14	75.8 Å²	75.8	9%	0.085	34%	0.336	C	S	.	.	H	α-helix	trans	-55.3	-45.2	-175.4	-170.4	0	0	0	0	112	W198 V260 Y261 F365 R371 G372 L375	W198-V369 HydrophobicContact CH2-CG2 3.83Å; W198-V369 HydrophobicContact CZ2-CG2 4.2Å; W198-V369 HydrophobicContact CZ3-CG2 4.2Å; V260-V369 HydrophobicContact CG1-CG1 3.39Å; V260-V369 HydrophobicContact CG1-CG2 4.33Å; Y261-V369 HydrophobicContact CE1-CG1 4.39Å; F365-V369 HydrophobicContact CD2-CG2 4.01Å; F365-V369 HydrophobicContact CE1-CG2 4.43Å; F365-V369 HydrophobicContact CE2-CG2 3.62Å; F365-V369 HydrophobicContact CZ-CG2 3.85Å; F365-V369 WeakPolarHBondContact O-CG2 3.32Å; F365-V369 PolarHBondContact O-N 3.29Å; V369-R371 PolarHBondContact O-N 2.94Å; V369-G372 PolarHBondContact O-N 3.3Å; V369-L375 HydrophobicContact CB-CD1 4.43Å; V369-L375 HydrophobicContact CG1-CD1 3.67Å
370	C	79.5	Confident	80.4	Confident	45 Å²	45	74 Å²	74	30%	0.304	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	4.1	-179.1	-58.5	0	0	0	0	115.4	I366 R368 L375	I366-C370 WeakPolarHBondContact O-CB 3.31Å; I366-C370 PolarHBondContact O-N 3.44Å; I366-C370 PolarHBondContact O-SG 2.85Å; R368-C370 VanDerWaalsContact C-N 3.34Å; R368-C370 PolarHBondContact O-N 2.74Å; C370-L375 HydrophobicContact CB-CD1 4.33Å
371	R	74.1	Confident	80.3	Confident	200 Å²	200	66.7 Å²	66.7	76%	0.755	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-27.8	166.5	-68.1	164.8	-178.2	-168.1	-3	112.7	R367 R368 V369	R367-R371 WeakPolarHBondContact O-CD 3.32Å; R367-R371 VanDerWaalsContact O-CG 3.26Å; R367-R371 WeakPolarHBondContact O-CG 3.45Å; R367-R371 PolarHBondContact O-NE 3.37Å; R368-R371 WeakPolarHBondContact O-CB 3.41Å; R368-R371 PolarHBondContact O-N 3.34Å; V369-R371 PolarHBondContact O-N 2.94Å
372	G	67	Low	80.1	Confident	19 Å²	19	63.3 Å²	63.3	20%	0.196	29%	0.29	C	S	.	.	S	Bend	trans	-60.6	146.6	-176.9	0	0	0	0	0	112.1	V369 L374	V369-G372 PolarHBondContact O-N 3.3Å; G372-L374 PolarHBondContact O-N 2.92Å
373	P	58.1	Low	80	Confident	111 Å²	111	63.5 Å²	63.5	72%	0.721	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-62.6	-18.9	-179.3	24.5	-32.4	0	0	0	113.2	R376	P373-R376 PolarHBondContact O-N 3.16Å
374	L	55.1	Low	80.1	Confident	54 Å²	54	60.9 Å²	60.9	28%	0.283	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-68.7	-44	-166.2	-45.7	177.2	0	0	0	113.7	L202 G372 R376	L202-L374 HydrophobicContact CB-CD1 4.44Å; L202-L374 HydrophobicContact CD1-CD1 3.9Å; L202-L374 HydrophobicContact CD1-CD2 3.32Å; L202-L374 HydrophobicContact CD1-CG 4.12Å; L202-L374 HydrophobicContact CD2-CD1 3.65Å; L202-L374 HydrophobicContact CD2-CD2 3.81Å; L202-L374 HydrophobicContact CD2-CG 4.32Å; L202-L374 HydrophobicContact CG-CD1 4.2Å; L202-L374 HydrophobicContact CG-CD2 4.19Å; G372-L374 PolarHBondContact O-N 2.92Å; L374-R376 PolarHBondContact O-N 3Å
375	L	61	Low	80.1	Confident	12 Å²	12	57.7 Å²	57.7	6%	0.063	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-72.3	-9.9	-176.5	-75.7	175.2	0	0	0	112.8	I256 Y261 V369 C370 R377 H378	I256-L375 HydrophobicContact CG2-CD2 3.45Å; I256-L375 VanDerWaalsContact CG2-CD2 3.45Å; Y261-L375 HydrophobicContact CE1-CD1 4.3Å; Y261-L375 HydrophobicContact CE2-CD2 4.06Å; Y261-L375 WeakPolarHBondContact OH-CD1 3.46Å; V369-L375 HydrophobicContact CB-CD1 4.43Å; V369-L375 HydrophobicContact CG1-CD1 3.67Å; C370-L375 HydrophobicContact CB-CD1 4.33Å; L375-R377 PolarHBondContact O-N 3.16Å; L375-H378 WeakPolarHBondContact O-CB 3.37Å; L375-H378 PolarHBondContact O-N 3.13Å; L375-H378 PolarHBondContact O-ND1 3.28Å
376	R	63.7	Low	80.3	Confident	90 Å²	90	59.8 Å²	59.8	34%	0.34	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	27.4	-176.1	-69.4	151.4	148.2	176.9	-4.4	112.2	L178 H249 P373 L374	L178-R376 HydrophobicContact CD2-CB 4.07Å; L178-R376 HydrophobicContact CD2-CG 4.08Å; L178-R376 PolarHBondContact O-NH2 3.25Å; H249-R376 PolarHBondContact CD2-NH1 3.39Å; H249-R376 PolarHBondContact NE2-NH1 2.98Å; P373-R376 PolarHBondContact O-N 3.16Å; L374-R376 PolarHBondContact O-N 3Å
377	R	64.2	Low	80.6	Confident	232 Å²	232	59 Å²	59	88%	0.875	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.5	14.3	-173.1	-54.2	180	179.6	168.2	1.1	117.3	L375	L375-R377 PolarHBondContact O-N 3.16Å
378	H	76.6	Confident	80.9	Confident	54 Å²	54	53.8 Å²	53.8	25%	0.25	26%	0.256	C	S	.	.			trans	-71.1	135.9	166.4	-56.2	81.2	0	0	0	109.1	Y261 L375 E382	Y261-H378 PolarHBondContact OH-O 2.94Å; Y261-H378 VanDerWaalsContact OH-O 3.08Å; L375-H378 WeakPolarHBondContact O-CB 3.37Å; L375-H378 PolarHBondContact O-N 3.13Å; L375-H378 PolarHBondContact O-ND1 3.28Å; H378-E382 HydrophobicContact CB-CB 3.92Å
379	G	88	Confident	81.4	Confident	11 Å²	11	53.4 Å²	53.4	11%	0.113	26%	0.257	C	S	.	.			trans	-99.4	-176.4	165.3	0	0	0	0	0	111	Y261 Q381 E382 C383	Y261-G379 WeakPolarHBondContact OH-CA 3.35Å; G379-Q381 PolarHBondContact O-N 3.47Å; G379-E382 WeakPolarHBondContact CA-OE2 3.32Å; G379-E382 PolarHBondContact N-OE2 3.22Å; G379-E382 PolarHBondContact O-N 3.29Å; G379-E382 VanDerWaalsContact O-N 3.14Å; G379-C383 PolarHBondContact O-N 2.98Å; G379-C383 PolarHBondContact O-SG 3.33Å; G379-C383 VanDerWaalsContact O-SG 3.39Å
380	V	92.4	Very high	82.2	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-52.4	-40.3	176.2	172.5	0	0	0	0	112.7	Y261 M265 I279 F280 Y352 I366 I384	Y261-V380 HydrophobicContact CD1-CG2 3.75Å; Y261-V380 HydrophobicContact CD2-CG2 3.86Å; Y261-V380 HydrophobicContact CE1-CG2 3.9Å; Y261-V380 HydrophobicContact CE2-CG2 3.98Å; Y261-V380 HydrophobicContact CG-CG2 3.74Å; M265-V380 HydrophobicContact CE-CG2 3.73Å; I279-V380 HydrophobicContact CG2-CG1 3.99Å; F280-V380 HydrophobicContact CE1-CG1 3.84Å; F280-V380 HydrophobicContact CZ-CG1 3.64Å; F280-V380 HydrophobicContact CZ-CG2 4.21Å; Y352-V380 HydrophobicContact CD1-CB 4.29Å; Y352-V380 HydrophobicContact CD1-CG1 4.24Å; Y352-V380 HydrophobicContact CD2-CB 4.2Å; Y352-V380 HydrophobicContact CD2-CG1 3.9Å; Y352-V380 HydrophobicContact CD2-CG2 4.4Å; Y352-V380 HydrophobicContact CE1-CB 3.89Å; Y352-V380 HydrophobicContact CE1-CG1 4.34Å; Y352-V380 HydrophobicContact CE2-CB 3.8Å; Y352-V380 HydrophobicContact CE2-CG1 4.02Å; Y352-V380 HydrophobicContact CE2-CG2 3.71Å; Y352-V380 HydrophobicContact CG-CB 4.43Å; Y352-V380 HydrophobicContact CG-CG1 4.02Å; I366-V380 HydrophobicContact CD1-CG2 3.96Å; V380-I384 HydrophobicContact CG1-CD1 3.84Å; V380-I384 WeakPolarHBondContact O-CD1 3.21Å; V380-I384 WeakPolarHBondContact O-CG1 3.38Å; V380-I384 PolarHBondContact O-N 3.29Å; V380-I384 VanDerWaalsContact O-N 3.08Å
381	Q	92.8	Very high	83	Confident	40 Å²	40	51.3 Å²	51.3	19%	0.187	24%	0.241	C	C	.	.	H	α-helix	trans	-69.5	-40.3	-178.6	-64.6	175	59.5	0	0	111.8	V349 Y352 K353 G379 L385	V349-Q381 HydrophobicContact CG1-CG 4.21Å; Y352-Q381 HydrophobicContact CD1-CG 3.75Å; Y352-Q381 HydrophobicContact CE1-CG 3.94Å; K353-Q381 VanDerWaalsContact CE-CD 3.44Å; G379-Q381 PolarHBondContact O-N 3.47Å; Q381-L385 WeakPolarHBondContact O-CB 3.08Å; Q381-L385 PolarHBondContact O-N 3.04Å
382	E	91.1	Very high	84.1	Confident	68 Å²	68	45 Å²	45	32%	0.318	23%	0.225	S	C	.	.	H	α-helix	trans	-68.2	-40.7	179.2	-64.1	70.3	-159.5	0	0	110.6	H378 G379 L385 L386	H378-E382 HydrophobicContact CB-CB 3.92Å; G379-E382 WeakPolarHBondContact CA-OE2 3.32Å; G379-E382 PolarHBondContact N-OE2 3.22Å; G379-E382 PolarHBondContact O-N 3.29Å; G379-E382 VanDerWaalsContact O-N 3.14Å; E382-L385 PolarHBondContact O-N 3.42Å; E382-L386 WeakPolarHBondContact O-CG 3.27Å; E382-L386 PolarHBondContact O-N 3.02Å
383	C	94	Very high	85.6	Confident	4 Å²	4	45.8 Å²	45.8	3%	0.027	22%	0.223	C	C	.	.	H	α-helix	trans	-64.5	-46.4	174.4	-63.6	0	0	0	0	112.4	T253 M257 G379 L385 L386 V387	T253-C383 HydrophobicContact CG2-CB 4.02Å; M257-C383 HydrophobicContact CG-CB 3.65Å; M257-C383 HydrophobicContact SD-CB 3.67Å; G379-C383 PolarHBondContact O-N 2.98Å; G379-C383 PolarHBondContact O-SG 3.33Å; G379-C383 VanDerWaalsContact O-SG 3.39Å; C383-L385 VanDerWaalsContact C-N 3.25Å; C383-L385 PolarHBondContact O-N 3.45Å; C383-L386 PolarHBondContact O-N 3.24Å; C383-V387 WeakPolarHBondContact O-CG2 3.07Å; C383-V387 PolarHBondContact O-N 3.26Å; C383-V387 VanDerWaalsContact O-N 3.09Å
384	I	94.6	Very high	87.5	Confident	2 Å²	2	40.5 Å²	40.5	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-59	-39.7	174.7	-63.1	164.9	0	0	0	110.4	M257 I279 F280 F341 H345 V380 V387 T388	M257-I384 HydrophobicContact CE-CG1 3.94Å; I279-I384 HydrophobicContact CG2-CD1 4.33Å; F280-I384 HydrophobicContact CD1-CG1 4.42Å; F280-I384 HydrophobicContact CE1-CD1 4.31Å; F280-I384 HydrophobicContact CE1-CG1 4.26Å; F341-I384 HydrophobicContact CE1-CG2 3.8Å; F341-I384 HydrophobicContact CZ-CB 4.42Å; F341-I384 HydrophobicContact CZ-CG2 3.81Å; H345-I384 VanDerWaalsContact ND1-CG2 3.34Å; H345-I384 WeakPolarHBondContact ND1-CG2 3.2Å; V380-I384 HydrophobicContact CG1-CD1 3.84Å; V380-I384 WeakPolarHBondContact O-CD1 3.21Å; V380-I384 WeakPolarHBondContact O-CG1 3.38Å; V380-I384 PolarHBondContact O-N 3.29Å; V380-I384 VanDerWaalsContact O-N 3.08Å; I384-V387 PolarHBondContact O-N 3.39Å; I384-T388 PolarHBondContact O-N 2.85Å
385	L	93.6	Very high	89.6	Confident	50 Å²	50	39 Å²	39	26%	0.262	18%	0.182	S	C	.	.	H	α-helix	trans	-66.8	-38.3	177	-179.6	61.2	0	0	0	112.8	Q381 E382 C383 V387 T388 Q389	Q381-L385 WeakPolarHBondContact O-CB 3.08Å; Q381-L385 PolarHBondContact O-N 3.04Å; E382-L385 PolarHBondContact O-N 3.42Å; C383-L385 VanDerWaalsContact C-N 3.25Å; C383-L385 PolarHBondContact O-N 3.45Å; L385-V387 VanDerWaalsContact C-N 3.35Å; L385-T388 PolarHBondContact O-N 3.17Å; L385-T388 PolarHBondContact O-OG1 3.47Å; L385-Q389 WeakPolarHBondContact O-CG 3.27Å; L385-Q389 PolarHBondContact O-N 3.09Å
386	L	94.6	Very high	91.4	Very high	44 Å²	44	41.4 Å²	41.4	23%	0.23	20%	0.198	C	C	.	.	H	α-helix	trans	-60.4	-44.1	173.5	-75.1	171.1	0	0	0	111.4	T253 E382 C383 Q389 R390	T253-L386 HydrophobicContact CG2-CB 4.46Å; T253-L386 HydrophobicContact CG2-CD1 4.18Å; E382-L386 WeakPolarHBondContact O-CG 3.27Å; E382-L386 PolarHBondContact O-N 3.02Å; C383-L386 PolarHBondContact O-N 3.24Å; L386-Q389 PolarHBondContact O-N 3.44Å; L386-Q389 VanDerWaalsContact O-N 3.09Å; L386-R390 PolarHBondContact O-N 3.06Å; L386-R390 VanDerWaalsContact O-N 3.15Å
387	V	96.8	Very high	93	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60	-49.8	178.2	175.7	0	0	0	0	111.3	L254 M257 L286 Y338 F341 C383 I384 L385 Q389 R390	L254-V387 HydrophobicContact CD2-CG1 4.3Å; L254-V387 HydrophobicContact CD2-CG2 3.58Å; L254-V387 HydrophobicContact CG-CG2 4.34Å; M257-V387 HydrophobicContact CE-CG2 4.18Å; M257-V387 HydrophobicContact SD-CG2 3.67Å; L286-V387 HydrophobicContact CD1-CG1 4.14Å; Y338-V387 WeakPolarHBondContact CE1-O 3.48Å; Y338-V387 PolarHBondContact OH-O 3.01Å; F341-V387 HydrophobicContact CD1-CG1 4Å; F341-V387 HydrophobicContact CE1-CB 3.75Å; F341-V387 HydrophobicContact CE1-CG1 3.54Å; F341-V387 HydrophobicContact CE2-CG1 4.22Å; F341-V387 HydrophobicContact CZ-CB 3.85Å; F341-V387 HydrophobicContact CZ-CG1 3.67Å; F341-V387 HydrophobicContact CZ-CG2 4.44Å; C383-V387 WeakPolarHBondContact O-CG2 3.07Å; C383-V387 PolarHBondContact O-N 3.26Å; C383-V387 VanDerWaalsContact O-N 3.09Å; I384-V387 PolarHBondContact O-N 3.39Å; L385-V387 VanDerWaalsContact C-N 3.35Å; V387-Q389 PolarHBondContact O-N 3.47Å; V387-Q389 VanDerWaalsContact O-N 3.13Å; V387-R390 PolarHBondContact O-N 3.34Å
388	T	94.8	Very high	94.6	Very high	27 Å²	27	26.5 Å²	26.5	17%	0.166	14%	0.142	C	C	.	.	H	α-helix	trans	-58.6	-27.1	176.5	60.5	0	0	0	0	113.3	F341 H345 I384 L385	F341-T388 HydrophobicContact CD1-CG2 3.84Å; F341-T388 HydrophobicContact CE1-CG2 3.81Å; H345-T388 HydrophobicContact CB-CG2 4.42Å; I384-T388 PolarHBondContact O-N 2.85Å; L385-T388 PolarHBondContact O-N 3.17Å; L385-T388 PolarHBondContact O-OG1 3.47Å
389	Q	95.9	Very high	95.7	Very high	44 Å²	44	27.3 Å²	27.3	21%	0.206	15%	0.146	C	C	.	.	H	α-helix	trans	-84	-26.2	-179.2	-75.1	-174.5	41.8	0	0	114.1	L385 L386 V387 I391 T392	L385-Q389 WeakPolarHBondContact O-CG 3.27Å; L385-Q389 PolarHBondContact O-N 3.09Å; L386-Q389 PolarHBondContact O-N 3.44Å; L386-Q389 VanDerWaalsContact O-N 3.09Å; V387-Q389 PolarHBondContact O-N 3.47Å; V387-Q389 VanDerWaalsContact O-N 3.13Å; Q389-I391 PolarHBondContact O-N 2.92Å; Q389-T392 PolarHBondContact O-N 2.95Å; Q389-T392 PolarHBondContact O-OG1 2.92Å
390	R	98.1	Very high	96.1	Very high	8 Å²	8	29.4 Å²	29.4	3%	0.03	15%	0.15	C	C	.	.	H	α-helix	trans	-55.7	-47.2	-169.2	179.5	65.2	-178.9	162.5	-1.1	113.2	L243 T246 E247 H250 L386 V387 T392 K393 Y394	L243-R390 PolarHBondContact O-NH2 3.37Å; T246-R390 PolarHBondContact OG1-NH1 3.25Å; T246-R390 PolarHBondContact OG1-NH2 2.9Å; E247-R390 VanDerWaalsContact N-NH2 3.14Å; E247-R390 IonicContact OE2-CZ 3.47Å; E247-R390 IonicContact OE2-NE 3.44Å; E247-R390 PolarHBondContact OE2-NE 3.41Å; E247-R390 IonicContact OE2-NH2 2.7Å; E247-R390 PolarHBondContact OE2-NH2 2.69Å; H250-R390 HydrophobicContact CB-CG 4.32Å; L386-R390 PolarHBondContact O-N 3.06Å; L386-R390 VanDerWaalsContact O-N 3.15Å; V387-R390 PolarHBondContact O-N 3.34Å; R390-T392 PolarHBondContact O-N 2.87Å; R390-T392 VanDerWaalsContact O-N 3.14Å; R390-K393 WeakPolarHBondContact O-CB 3.45Å; R390-K393 PolarHBondContact O-N 2.63Å; R390-Y394 HydrophobicContact CG-CE1 4.49Å; R390-Y394 HydrophobicContact CG-CE2 4.22Å
391	I	97	Very high	96.4	Very high	7 Å²	7	29.4 Å²	29.4	4%	0.036	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-33.7	-179.1	-162.6	176	0	0	0	112.4	M334 Y338 Q389 K393 P395 I426 V429	M334-I391 HydrophobicContact CG-CD1 3.97Å; M334-I391 HydrophobicContact SD-CD1 3.81Å; M334-I391 HydrophobicContact SD-CG1 4.03Å; Y338-I391 HydrophobicContact CD1-CB 4.09Å; Y338-I391 HydrophobicContact CD1-CD1 4.41Å; Y338-I391 HydrophobicContact CD1-CG2 3.8Å; Y338-I391 HydrophobicContact CD2-CD1 4.15Å; Y338-I391 HydrophobicContact CE1-CB 3.75Å; Y338-I391 HydrophobicContact CE1-CG2 3.75Å; Y338-I391 HydrophobicContact CE2-CB 4.34Å; Y338-I391 HydrophobicContact CG-CD1 4.08Å; Y338-I391 HydrophobicContact CG-CG2 4.49Å; Q389-I391 PolarHBondContact O-N 2.92Å; I391-K393 VanDerWaalsContact C-N 3.3Å; I391-K393 PolarHBondContact O-N 3.38Å; I391-P395 WeakPolarHBondContact O-CD 3.22Å; I391-I426 HydrophobicContact CD1-CG1 4.13Å; I391-I426 HydrophobicContact CG1-CD1 4.46Å; I391-I426 HydrophobicContact CG1-CG1 3.91Å; I391-I426 WeakPolarHBondContact O-CD1 3.31Å; I391-V429 HydrophobicContact CD1-CG2 4.34Å
392	T	97.3	Very high	96.6	Very high	67 Å²	67	28 Å²	28	41%	0.411	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-6.8	178.2	70	0	0	0	0	114.5	Q389 R390	Q389-T392 PolarHBondContact O-N 2.95Å; Q389-T392 PolarHBondContact O-OG1 2.92Å; R390-T392 PolarHBondContact O-N 2.87Å; R390-T392 VanDerWaalsContact O-N 3.14Å
393	K	98.1	Very high	96.8	Very high	36 Å²	36	29 Å²	29	16%	0.157	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-34.4	176.5	-52.5	-55.2	174.4	179.3	0	112.5	S174 R390 I391 P395 V396 L397	S174-K393 PolarHBondContact OG-NZ 3.16Å; R390-K393 WeakPolarHBondContact O-CB 3.45Å; R390-K393 PolarHBondContact O-N 2.63Å; I391-K393 VanDerWaalsContact C-N 3.3Å; I391-K393 PolarHBondContact O-N 3.38Å; K393-P395 VanDerWaalsContact C-CD 3.44Å; K393-V396 PolarHBondContact O-N 3.29Å; K393-V396 VanDerWaalsContact O-N 3.14Å; K393-L397 PolarHBondContact O-N 3.31Å
394	Y	98.7	Very high	96.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-53.3	-41.7	-178.8	-60.5	-52.4	0	0	0	114	L243 E247 H290 F293 F326 R390 V396 L397 I398 L422	L243-Y394 HydrophobicContact CD1-CD1 3.9Å; L243-Y394 HydrophobicContact CD1-CE1 4.13Å; E247-Y394 PolarHBondContact OE1-OH 3.04Å; E247-Y394 WeakPolarHBondContact OE2-CE1 3.14Å; E247-Y394 PolarHBondContact OE2-OH 2.89Å; H290-Y394 PolarHBondContact CE1-OH 3.06Å; H290-Y394 PolarHBondContact ND1-OH 3.14Å; F293-Y394 AromaticContact CE1-CE1 3.92Å; F293-Y394 HydrophobicContact CE1-CE1 3.92Å; F326-Y394 AromaticContact CE1-CD2 3.71Å; F326-Y394 HydrophobicContact CE1-CD2 3.71Å; F326-Y394 AromaticContact CE1-CE2 3.89Å; F326-Y394 HydrophobicContact CE1-CE2 3.89Å; F326-Y394 HydrophobicContact CE1-CG 4.29Å; F326-Y394 HydrophobicContact CZ-CD1 4.12Å; F326-Y394 AromaticContact CZ-CD2 3.6Å; F326-Y394 HydrophobicContact CZ-CD2 3.6Å; F326-Y394 HydrophobicContact CZ-CE1 4.39Å; F326-Y394 AromaticContact CZ-CE2 3.91Å; F326-Y394 HydrophobicContact CZ-CE2 3.91Å; F326-Y394 AromaticContact CZ-CG 3.71Å; F326-Y394 HydrophobicContact CZ-CG 3.71Å; R390-Y394 HydrophobicContact CG-CE1 4.49Å; R390-Y394 HydrophobicContact CG-CE2 4.22Å; Y394-V396 VanDerWaalsContact C-N 3.28Å; Y394-V396 PolarHBondContact O-N 2.78Å; Y394-L397 PolarHBondContact O-N 3.31Å; Y394-I398 WeakPolarHBondContact O-CB 3.48Å; Y394-I398 VanDerWaalsContact O-CG1 3.3Å; Y394-I398 WeakPolarHBondContact O-CG1 3.45Å; Y394-I398 PolarHBondContact O-N 2.7Å; Y394-L422 VanDerWaalsContact CB-CD2 3.47Å; Y394-L422 HydrophobicContact CD2-CD1 4.4Å
395	P	98.5	Very high	96.8	Very high	23 Å²	23	30.4 Å²	30.4	15%	0.149	16%	0.159	C	C	.	.	H	α-helix	trans	-62.4	-34.7	-179.6	-22.5	33	0	0	0	113.2	I391 K393 Q399 L419 L422 I426	I391-P395 WeakPolarHBondContact O-CD 3.22Å; K393-P395 VanDerWaalsContact C-CD 3.44Å; P395-Q399 WeakPolarHBondContact O-CB 3.32Å; P395-Q399 PolarHBondContact O-N 3.36Å; P395-L419 HydrophobicContact CB-CD1 3.92Å; P395-L419 WeakPolarHBondContact O-CD1 3.47Å; P395-L422 HydrophobicContact CB-CD2 4.39Å; P395-L422 HydrophobicContact CG-CD2 3.83Å; P395-L422 HydrophobicContact CG-CG 4.07Å; P395-I426 HydrophobicContact CG-CD1 3.48Å; P395-I426 VanDerWaalsContact CG-CD1 3.48Å
396	V	98.1	Very high	96.6	Very high	63 Å²	63	34.1 Å²	34.1	38%	0.382	17%	0.173	S	C	.	.	H	α-helix	trans	-73.8	-39.2	179.6	-176.1	0	0	0	0	110.9	K393 Y394 R400	K393-V396 PolarHBondContact O-N 3.29Å; K393-V396 VanDerWaalsContact O-N 3.14Å; Y394-V396 VanDerWaalsContact C-N 3.28Å; Y394-V396 PolarHBondContact O-N 2.78Å; V396-R400 WeakPolarHBondContact O-CB 3.46Å; V396-R400 WeakPolarHBondContact O-CD 3.2Å; V396-R400 VanDerWaalsContact O-CG 3.28Å; V396-R400 WeakPolarHBondContact O-CG 3.5Å; V396-R400 PolarHBondContact O-N 3.41Å
397	L	98.3	Very high	96.1	Very high	8 Å²	8	36.2 Å²	36.2	4%	0.042	21%	0.205	C	C	.	.	H	α-helix	trans	-67.4	-50.9	176.3	-68.9	167.4	0	0	0	111.1	E242 L243 K393 Y394 Q399 R400 I401	E242-L397 HydrophobicContact CB-CD2 4.38Å; E242-L397 HydrophobicContact CG-CD2 3.91Å; E242-L397 VanDerWaalsContact OE1-CD2 3.31Å; E242-L397 WeakPolarHBondContact OE1-CD2 3.47Å; L243-L397 HydrophobicContact CB-CD1 4.43Å; L243-L397 HydrophobicContact CD1-CB 4.42Å; L243-L397 HydrophobicContact CD1-CD1 3.76Å; K393-L397 PolarHBondContact O-N 3.31Å; Y394-L397 PolarHBondContact O-N 3.31Å; L397-Q399 PolarHBondContact O-N 2.88Å; L397-R400 PolarHBondContact O-N 3.33Å; L397-R400 VanDerWaalsContact O-N 3.14Å; L397-I401 WeakPolarHBondContact O-CG1 3.31Å; L397-I401 PolarHBondContact O-N 3.34Å
398	I	98.4	Very high	95.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.6	-39.6	-178	-60.9	169.7	0	0	0	111.3	L322 F326 Y394 R400 I401 L402 L415 L419 L422	L322-I398 HydrophobicContact CD1-CD1 4.24Å; L322-I398 HydrophobicContact CD1-CG1 4.03Å; L322-I398 HydrophobicContact CD1-CG2 4.31Å; L322-I398 HydrophobicContact CD2-CD1 3.92Å; L322-I398 HydrophobicContact CD2-CG1 4.19Å; L322-I398 HydrophobicContact CG-CD1 4.47Å; F326-I398 HydrophobicContact CD2-CD1 4.27Å; F326-I398 HydrophobicContact CE2-CD1 3.83Å; Y394-I398 WeakPolarHBondContact O-CB 3.48Å; Y394-I398 VanDerWaalsContact O-CG1 3.3Å; Y394-I398 WeakPolarHBondContact O-CG1 3.45Å; Y394-I398 PolarHBondContact O-N 2.7Å; I398-R400 PolarHBondContact O-N 2.97Å; I398-I401 PolarHBondContact O-N 3.28Å; I398-L402 WeakPolarHBondContact O-CB 3.36Å; I398-L402 PolarHBondContact O-N 3.15Å; I398-L415 HydrophobicContact CG2-CD2 4.2Å; I398-L419 HydrophobicContact CB-CD1 4.29Å; I398-L419 HydrophobicContact CG2-CB 3.92Å; I398-L419 HydrophobicContact CG2-CD1 4.42Å; I398-L422 HydrophobicContact CD1-CD2 3.64Å
399	Q	98.4	Very high	95.7	Very high	71 Å²	71	41.4 Å²	41.4	33%	0.332	24%	0.24	S	C	.	.	H	α-helix	trans	-57.1	-48.4	171.4	-176.9	70.1	68.8	0	0	111	P395 L397 I401 L402 D403 L419	P395-Q399 WeakPolarHBondContact O-CB 3.32Å; P395-Q399 PolarHBondContact O-N 3.36Å; L397-Q399 PolarHBondContact O-N 2.88Å; Q399-I401 VanDerWaalsContact C-N 3.3Å; Q399-I401 PolarHBondContact O-N 2.62Å; Q399-L402 WeakPolarHBondContact O-CB 3.46Å; Q399-L402 PolarHBondContact O-N 2.96Å; Q399-D403 PolarHBondContact NE2-OD1 3.33Å; Q399-D403 WeakPolarHBondContact O-CB 3.34Å; Q399-D403 PolarHBondContact O-N 2.89Å; Q399-L419 HydrophobicContact CB-CD2 3.94Å
400	R	97.6	Very high	95.7	Very high	56 Å²	56	42.8 Å²	42.8	21%	0.211	25%	0.249	C	C	.	.	H	α-helix	trans	-64.5	-30.1	178.5	-75.2	170.4	59.5	-152.9	-5	113.4	V239 E242 V396 L397 I398 N404	V239-R400 HydrophobicContact CG1-CB 3.73Å; V239-R400 HydrophobicContact CG2-CB 4.34Å; E242-R400 IonicContact OE1-CZ 4Å; E242-R400 IonicContact OE1-NH1 3.34Å; E242-R400 PolarHBondContact OE1-NH1 3.45Å; E242-R400 IonicContact OE1-NH2 3.68Å; E242-R400 IonicContact OE2-CZ 2.78Å; E242-R400 VanDerWaalsContact OE2-CZ 3.22Å; E242-R400 IonicContact OE2-NH1 3.63Å; E242-R400 PolarHBondContact OE2-NH1 3.05Å; E242-R400 IonicContact OE2-NH2 2.8Å; E242-R400 PolarHBondContact OE2-NH2 3.19Å; V396-R400 WeakPolarHBondContact O-CB 3.46Å; V396-R400 WeakPolarHBondContact O-CD 3.2Å; V396-R400 VanDerWaalsContact O-CG 3.28Å; V396-R400 WeakPolarHBondContact O-CG 3.5Å; V396-R400 PolarHBondContact O-N 3.41Å; L397-R400 PolarHBondContact O-N 3.33Å; L397-R400 VanDerWaalsContact O-N 3.14Å; I398-R400 PolarHBondContact O-N 2.97Å; R400-N404 PolarHBondContact O-ND2 3.13Å
401	I	97.5	Very high	95.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-68.3	-53.4	171.5	-63.2	167.8	0	0	0	109.2	Q236 V239 I240 L243 L318 L397 I398 Q399 D403 N404 T405 L415	Q236-I401 HydrophobicContact CG-CG2 4.49Å; V239-I401 HydrophobicContact CB-CG1 4.09Å; V239-I401 HydrophobicContact CG1-CD1 4.48Å; V239-I401 HydrophobicContact CG1-CG1 3.63Å; I240-I401 HydrophobicContact CD1-CG2 4.39Å; I240-I401 HydrophobicContact CG1-CD1 3.97Å; I240-I401 HydrophobicContact CG1-CG1 4.06Å; I240-I401 HydrophobicContact CG1-CG2 4.06Å; L243-I401 HydrophobicContact CD2-CD1 4.19Å; L318-I401 HydrophobicContact CD2-CD1 3.87Å; L397-I401 WeakPolarHBondContact O-CG1 3.31Å; L397-I401 PolarHBondContact O-N 3.34Å; I398-I401 PolarHBondContact O-N 3.28Å; Q399-I401 VanDerWaalsContact C-N 3.3Å; Q399-I401 PolarHBondContact O-N 2.62Å; I401-D403 VanDerWaalsContact C-N 3.28Å; I401-D403 PolarHBondContact O-N 3Å; I401-N404 CarbonylContact O-C 3.01Å; I401-N404 PolarHBondContact O-N 3.14Å; I401-T405 PolarHBondContact O-N 3.04Å; I401-T405 PolarHBondContact O-OG1 3Å; I401-T405 VanDerWaalsContact O-OG1 3.04Å; I401-L415 HydrophobicContact CG2-CD1 3.87Å; I401-L415 HydrophobicContact CG2-CD2 4.04Å
402	L	96.8	Very high	95.6	Very high	10 Å²	10	47 Å²	47	5%	0.052	26%	0.264	C	S	.	.	H	α-helix	trans	-54.7	-38.6	178.3	176.1	60.8	0	0	0	113.3	I398 Q399 N404 R412 L415 H416 L419	I398-L402 WeakPolarHBondContact O-CB 3.36Å; I398-L402 PolarHBondContact O-N 3.15Å; Q399-L402 WeakPolarHBondContact O-CB 3.46Å; Q399-L402 PolarHBondContact O-N 2.96Å; L402-N404 VanDerWaalsContact C-N 3.25Å; L402-N404 PolarHBondContact O-N 3.37Å; L402-R412 HydrophobicContact CD1-CB 4.02Å; L402-R412 HydrophobicContact CD1-CG 4.19Å; L402-R412 VanDerWaalsContact CD1-O 3.32Å; L402-R412 WeakPolarHBondContact CD1-O 3.25Å; L402-R412 PolarHBondContact O-NH1 2.98Å; L402-L415 HydrophobicContact CB-CB 4.27Å; L402-L415 HydrophobicContact CD1-CB 4.04Å; L402-H416 HydrophobicContact CD2-CB 3.99Å; L402-L419 HydrophobicContact CD2-CD2 4.28Å
403	D	95.8	Very high	95.6	Very high	90 Å²	90	49.8 Å²	49.8	48%	0.481	27%	0.267	S	S	.	.	H	α-helix	trans	-66.1	-27	177.3	-64.2	-18.9	0	0	0	112.6	Q399 I401	Q399-D403 PolarHBondContact NE2-OD1 3.33Å; Q399-D403 WeakPolarHBondContact O-CB 3.34Å; Q399-D403 PolarHBondContact O-N 2.89Å; I401-D403 VanDerWaalsContact C-N 3.28Å; I401-D403 PolarHBondContact O-N 3Å
404	N	94.9	Very high	95.6	Very high	33 Å²	33	48.5 Å²	48.5	18%	0.176	26%	0.262	C	S	.	.	H	α-helix	trans	-102.3	-18	-179.4	-70	-86.4	0	0	0	113.9	K235 Q236 R400 I401 L402 K406	K235-N404 HydrophobicContact CB-CB 4.47Å; K235-N404 VanDerWaalsContact CB-OD1 3.31Å; K235-N404 WeakPolarHBondContact CB-OD1 3.43Å; K235-N404 VanDerWaalsContact CD-OD1 3.26Å; K235-N404 WeakPolarHBondContact CD-OD1 3.35Å; Q236-N404 HydrophobicContact CB-CB 4Å; Q236-N404 HydrophobicContact CG-CB 4.35Å; R400-N404 PolarHBondContact O-ND2 3.13Å; I401-N404 CarbonylContact O-C 3.01Å; I401-N404 PolarHBondContact O-N 3.14Å; L402-N404 VanDerWaalsContact C-N 3.25Å; L402-N404 PolarHBondContact O-N 3.37Å; N404-K406 PolarHBondContact O-N 3.13Å; N404-K406 VanDerWaalsContact O-N 3.14Å
405	T	94.1	Very high	95.6	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.012	26%	0.262	C	S	.	.			trans	-64.1	108.8	172.7	-57.6	0	0	0	0	110.7	Q236 I401 E411 R412 L415	Q236-T405 PolarHBondContact NE2-OG1 2.94Å; I401-T405 PolarHBondContact O-N 3.04Å; I401-T405 PolarHBondContact O-OG1 3Å; I401-T405 VanDerWaalsContact O-OG1 3.04Å; T405-E411 HydrophobicContact CG2-CB 4.14Å; T405-E411 HydrophobicContact CG2-CG 3.8Å; T405-R412 HydrophobicContact CG2-CG 3.73Å; T405-R412 WeakPolarHBondContact O-CD 3.34Å; T405-R412 PolarHBondContact O-NH1 3.23Å; T405-L415 HydrophobicContact CG2-CD1 4.26Å; T405-L415 VanDerWaalsContact OG1-CD1 3.25Å; T405-L415 WeakPolarHBondContact OG1-CD1 3.36Å
406	K	89.4	Confident	95.6	Very high	127 Å²	127	52.6 Å²	52.6	55%	0.552	28%	0.279	S	S	*	.			trans	-117.6	154.8	176.6	-63.7	-176	-175.3	-177.6	0	111.1	D232 N404 C408	D232-K406 HydrophobicContact CB-CD 4.17Å; D232-K406 IonicContact OD1-NZ 3.45Å; D232-K406 PolarHBondContact OD1-NZ 2.93Å; D232-K406 WeakPolarHBondContact OD2-CE 3.4Å; D232-K406 IonicContact OD2-NZ 2.7Å; D232-K406 PolarHBondContact OD2-NZ 3.01Å; N404-K406 PolarHBondContact O-N 3.13Å; N404-K406 VanDerWaalsContact O-N 3.14Å; K406-C408 PolarHBondContact O-N 3.46Å; K406-C408 VanDerWaalsContact O-N 3.09Å
407	G	83.8	Confident	95.6	Very high	88 Å²	88	53.9 Å²	53.9	91%	0.907	28%	0.281	S	S	*	.	S	Bend	trans	73.9	-10.5	172.8	0	0	0	0	0	116.9
408	C	90.1	Very high	95.6	Very high	42 Å²	42	53.5 Å²	53.5	28%	0.284	28%	0.279	S	S	.	.			trans	-116.2	104.7	176.2	-169	0	0	0	0	110.5	K406 E411 R412	K406-C408 PolarHBondContact O-N 3.46Å; K406-C408 VanDerWaalsContact O-N 3.09Å; C408-E411 HydrophobicContact CB-CB 3.96Å; C408-E411 VanDerWaalsContact SG-CB 3.5Å; C408-R412 WeakPolarHBondContact O-CG 3.19Å; C408-R412 PolarHBondContact O-N 3.12Å
409	P	93.1	Very high	95.6	Very high	95 Å²	95	53.5 Å²	53.5	62%	0.617	28%	0.279	S	S	*	.	H	α-helix	trans	-72.3	-41.4	-175.9	27.6	-32.9	0	0	0	112.6	R412 R413	P409-R412 PolarHBondContact O-N 3.49Å; P409-R413 PolarHBondContact O-N 3.47Å
410	D	95.1	Very high	95.6	Very high	73 Å²	73	52.7 Å²	52.7	39%	0.39	28%	0.279	S	S	.	.	H	α-helix	trans	-59.5	-49.4	177.1	-67.9	-81.4	0	0	0	112	R412 R413 D414	D410-R412 PolarHBondContact O-N 3.09Å; D410-R413 WeakPolarHBondContact O-CB 3.43Å; D410-R413 PolarHBondContact O-N 3.33Å; D410-R413 IonicContact OD1-CZ 3.24Å; D410-R413 VanDerWaalsContact OD1-CZ 3.24Å; D410-R413 IonicContact OD1-NH1 2.74Å; D410-R413 PolarHBondContact OD1-NH1 3.2Å; D410-R413 IonicContact OD1-NH2 2.87Å; D410-R413 PolarHBondContact OD1-NH2 2.9Å; D410-D414 PolarHBondContact O-N 3.44Å; D410-D414 VanDerWaalsContact O-OD1 3.14Å
411	E	96	Very high	95.7	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.009	28%	0.281	C	S	.	.	H	α-helix	trans	-60	-35.9	177.1	-175.2	62.5	-162.6	0	0	111.9	R317 L318 G319 T405 C408 L415	R317-E411 WeakPolarHBondContact CA-OE2 3.46Å; R317-E411 WeakPolarHBondContact CB-OE2 3.36Å; R317-E411 VanDerWaalsContact CG-OE2 3.23Å; R317-E411 WeakPolarHBondContact CG-OE2 3.34Å; R317-E411 IonicContact NE-OE2 3.15Å; R317-E411 PolarHBondContact NE-OE2 3.45Å; R317-E411 VanDerWaalsContact NE-OE2 3.15Å; L318-E411 WeakPolarHBondContact CA-OE1 3.43Å; L318-E411 PolarHBondContact N-OE1 2.88Å; L318-E411 PolarHBondContact N-OE2 3.35Å; G319-E411 PolarHBondContact N-OE1 3.4Å; G319-E411 PolarHBondContact N-OE2 2.9Å; T405-E411 HydrophobicContact CG2-CB 4.14Å; T405-E411 HydrophobicContact CG2-CG 3.8Å; C408-E411 HydrophobicContact CB-CB 3.96Å; C408-E411 VanDerWaalsContact SG-CB 3.5Å; E411-L415 HydrophobicContact CG-CD1 3.9Å; E411-L415 HydrophobicContact CG-CG 4.43Å; E411-L415 WeakPolarHBondContact O-CB 3.46Å; E411-L415 WeakPolarHBondContact O-CD1 3.4Å; E411-L415 WeakPolarHBondContact O-CG 3.31Å; E411-L415 PolarHBondContact O-N 2.69Å
412	R	96.9	Very high	95.7	Very high	102 Å²	102	52.5 Å²	52.5	39%	0.385	28%	0.281	S	S	.	.	H	α-helix	trans	-68.5	-35.9	173.8	-72.9	-179.2	69.3	80.2	8.4	112.9	L402 T405 C408 P409 D410 H416	L402-R412 HydrophobicContact CD1-CB 4.02Å; L402-R412 HydrophobicContact CD1-CG 4.19Å; L402-R412 VanDerWaalsContact CD1-O 3.32Å; L402-R412 WeakPolarHBondContact CD1-O 3.25Å; L402-R412 PolarHBondContact O-NH1 2.98Å; T405-R412 HydrophobicContact CG2-CG 3.73Å; T405-R412 WeakPolarHBondContact O-CD 3.34Å; T405-R412 PolarHBondContact O-NH1 3.23Å; C408-R412 WeakPolarHBondContact O-CG 3.19Å; C408-R412 PolarHBondContact O-N 3.12Å; P409-R412 PolarHBondContact O-N 3.49Å; D410-R412 PolarHBondContact O-N 3.09Å; R412-H416 VanDerWaalsContact O-CB 3.25Å; R412-H416 WeakPolarHBondContact O-CB 3.42Å; R412-H416 PolarHBondContact O-N 3.47Å; R412-H416 VanDerWaalsContact O-N 3.14Å
413	R	97.8	Very high	95.8	Very high	124 Å²	124	57 Å²	57	47%	0.468	30%	0.3	S	S	.	.	H	α-helix	trans	-64.3	-55.3	172.8	176.4	-164.4	60.9	-121.7	-14.4	109.7	P409 D410 L415 H416 E417	P409-R413 PolarHBondContact O-N 3.47Å; D410-R413 WeakPolarHBondContact O-CB 3.43Å; D410-R413 PolarHBondContact O-N 3.33Å; D410-R413 IonicContact OD1-CZ 3.24Å; D410-R413 VanDerWaalsContact OD1-CZ 3.24Å; D410-R413 IonicContact OD1-NH1 2.74Å; D410-R413 PolarHBondContact OD1-NH1 3.2Å; D410-R413 IonicContact OD1-NH2 2.87Å; D410-R413 PolarHBondContact OD1-NH2 2.9Å; R413-L415 VanDerWaalsContact C-N 3.31Å; R413-L415 PolarHBondContact O-N 3.05Å; R413-H416 WeakPolarHBondContact O-CA 3.47Å; R413-H416 WeakPolarHBondContact O-CB 3.37Å; R413-H416 PolarHBondContact O-N 2.99Å; R413-E417 WeakPolarHBondContact O-CB 3.47Å; R413-E417 PolarHBondContact O-N 2.86Å
414	D	98.3	Very high	96	Very high	10 Å²	10	58.1 Å²	58.1	5%	0.053	30%	0.303	C	S	.	.	H	α-helix	trans	-60	-41.5	-174.9	-55.9	-10.5	0	0	0	111.4	R317 L323 D410 A418	R317-D414 IonicContact CZ-OD2 4Å; R317-D414 IonicContact NH2-OD2 3.6Å; R317-D414 PolarHBondContact NH2-OD2 2.72Å; L323-D414 HydrophobicContact CD1-CB 3.85Å; D410-D414 PolarHBondContact O-N 3.44Å; D410-D414 VanDerWaalsContact O-OD1 3.14Å; D414-A418 VanDerWaalsContact O-CB 3.32Å; D414-A418 WeakPolarHBondContact O-CB 3.5Å; D414-A418 PolarHBondContact O-N 2.86Å
415	L	98.4	Very high	96.1	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-65.3	-36.3	173.4	-75.6	168.6	0	0	0	113.4	L322 I398 I401 L402 T405 E411 R413 L419	L322-L415 HydrophobicContact CD1-CD2 3.49Å; L322-L415 VanDerWaalsContact CD1-CD2 3.49Å; I398-L415 HydrophobicContact CG2-CD2 4.2Å; I401-L415 HydrophobicContact CG2-CD1 3.87Å; I401-L415 HydrophobicContact CG2-CD2 4.04Å; L402-L415 HydrophobicContact CB-CB 4.27Å; L402-L415 HydrophobicContact CD1-CB 4.04Å; T405-L415 HydrophobicContact CG2-CD1 4.26Å; T405-L415 VanDerWaalsContact OG1-CD1 3.25Å; T405-L415 WeakPolarHBondContact OG1-CD1 3.36Å; E411-L415 HydrophobicContact CG-CD1 3.9Å; E411-L415 HydrophobicContact CG-CG 4.43Å; E411-L415 WeakPolarHBondContact O-CB 3.46Å; E411-L415 WeakPolarHBondContact O-CD1 3.4Å; E411-L415 WeakPolarHBondContact O-CG 3.31Å; E411-L415 PolarHBondContact O-N 2.69Å; R413-L415 VanDerWaalsContact C-N 3.31Å; R413-L415 PolarHBondContact O-N 3.05Å; L415-L419 VanDerWaalsContact O-CB 3.26Å; L415-L419 WeakPolarHBondContact O-CB 3.27Å; L415-L419 PolarHBondContact O-N 3.15Å
416	H	98.5	Very high	96.3	Very high	108 Å²	108	59 Å²	59	50%	0.5	31%	0.307	S	S	.	.	H	α-helix	trans	-71.6	-44.3	178.6	-179.9	72.8	0	0	0	111.5	L402 R412 R413 L419 V420	L402-H416 HydrophobicContact CD2-CB 3.99Å; R412-H416 VanDerWaalsContact O-CB 3.25Å; R412-H416 WeakPolarHBondContact O-CB 3.42Å; R412-H416 PolarHBondContact O-N 3.47Å; R412-H416 VanDerWaalsContact O-N 3.14Å; R413-H416 WeakPolarHBondContact O-CA 3.47Å; R413-H416 WeakPolarHBondContact O-CB 3.37Å; R413-H416 PolarHBondContact O-N 2.99Å; H416-L419 WeakPolarHBondContact O-CB 3.48Å; H416-L419 PolarHBondContact O-N 2.86Å; H416-V420 WeakPolarHBondContact O-CG2 3.42Å; H416-V420 PolarHBondContact O-N 3.26Å
417	E	98.6	Very high	96.8	Very high	90 Å²	90	54.9 Å²	54.9	42%	0.421	30%	0.301	S	S	.	.	H	α-helix	trans	-63.7	-48.2	177.8	-176	177.4	169.6	0	0	111.3	L323 R413 L419 V420 L421	L323-E417 HydrophobicContact CD2-CB 3.98Å; L323-E417 HydrophobicContact CD2-CG 3.75Å; R413-E417 WeakPolarHBondContact O-CB 3.47Å; R413-E417 PolarHBondContact O-N 2.86Å; E417-L419 PolarHBondContact O-N 3.21Å; E417-V420 PolarHBondContact O-N 3Å; E417-L421 HydrophobicContact CG-CD1 4.13Å; E417-L421 WeakPolarHBondContact O-CG 3.37Å; E417-L421 PolarHBondContact O-N 3.14Å
418	A	98.6	Very high	97.4	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-57.9	-34.1	173.5	0	0	0	0	0	112.8	L322 L323 D414 L422	L322-A418 HydrophobicContact CB-CB 3.73Å; L323-A418 HydrophobicContact CD2-CB 3.97Å; L323-A418 HydrophobicContact CG-CB 4.15Å; D414-A418 VanDerWaalsContact O-CB 3.32Å; D414-A418 WeakPolarHBondContact O-CB 3.5Å; D414-A418 PolarHBondContact O-N 2.86Å; A418-L422 WeakPolarHBondContact O-CB 3.33Å; A418-L422 PolarHBondContact O-N 3.31Å
419	L	98.7	Very high	97.8	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-74.1	-26	176.5	179.8	60.1	0	0	0	113.5	P395 I398 Q399 L402 L415 H416 E417 K423	P395-L419 HydrophobicContact CB-CD1 3.92Å; P395-L419 WeakPolarHBondContact O-CD1 3.47Å; I398-L419 HydrophobicContact CB-CD1 4.29Å; I398-L419 HydrophobicContact CG2-CB 3.92Å; I398-L419 HydrophobicContact CG2-CD1 4.42Å; Q399-L419 HydrophobicContact CB-CD2 3.94Å; L402-L419 HydrophobicContact CD2-CD2 4.28Å; L415-L419 VanDerWaalsContact O-CB 3.26Å; L415-L419 WeakPolarHBondContact O-CB 3.27Å; L415-L419 PolarHBondContact O-N 3.15Å; H416-L419 WeakPolarHBondContact O-CB 3.48Å; H416-L419 PolarHBondContact O-N 2.86Å; E417-L419 PolarHBondContact O-N 3.21Å; L419-K423 VanDerWaalsContact O-CD 3.25Å; L419-K423 WeakPolarHBondContact O-CD 3.4Å; L419-K423 VanDerWaalsContact O-CG 3.24Å; L419-K423 WeakPolarHBondContact O-CG 3.34Å
420	V	98.6	Very high	98	Very high	54 Å²	54	52.7 Å²	52.7	33%	0.327	27%	0.265	S	S	.	.	H	α-helix	trans	-74.5	-54.8	171.8	171.4	0	0	0	0	109.6	H416 E417 L422 K423 E424	H416-V420 WeakPolarHBondContact O-CG2 3.42Å; H416-V420 PolarHBondContact O-N 3.26Å; E417-V420 PolarHBondContact O-N 3Å; V420-L422 VanDerWaalsContact C-N 3.28Å; V420-L422 PolarHBondContact O-N 2.97Å; V420-K423 WeakPolarHBondContact O-CA 3.39Å; V420-K423 WeakPolarHBondContact O-CB 3.19Å; V420-K423 PolarHBondContact O-N 3.45Å; V420-E424 PolarHBondContact O-N 3.19Å
421	L	98.7	Very high	98.1	Very high	51 Å²	51	53.5 Å²	53.5	27%	0.267	27%	0.266	S	S	.	.	H	α-helix	trans	-55.8	-42.3	-179.2	-65.5	169.3	0	0	0	112	L323 E417 K423 E424 L425	L323-L421 HydrophobicContact CD2-CD1 4.08Å; E417-L421 HydrophobicContact CG-CD1 4.13Å; E417-L421 WeakPolarHBondContact O-CG 3.37Å; E417-L421 PolarHBondContact O-N 3.14Å; L421-K423 PolarHBondContact O-N 2.88Å; L421-E424 PolarHBondContact O-N 2.94Å; L421-L425 VanDerWaalsContact O-CB 3.31Å; L421-L425 WeakPolarHBondContact O-CB 2.96Å; L421-L425 PolarHBondContact O-N 2.94Å
422	L	98.6	Very high	98.2	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62	-36	174.2	171	64.5	0	0	0	113.7	F326 Y394 P395 I398 A418 V420 I426	F326-L422 HydrophobicContact CB-CB 4.25Å; F326-L422 HydrophobicContact CD1-CD1 3.74Å; F326-L422 HydrophobicContact CD2-CB 4.47Å; F326-L422 HydrophobicContact CD2-CD2 4.49Å; F326-L422 HydrophobicContact CE1-CD1 3.85Å; F326-L422 HydrophobicContact CE2-CD2 4.44Å; F326-L422 HydrophobicContact CG-CB 4.23Å; F326-L422 HydrophobicContact CG-CD1 4.13Å; F326-L422 HydrophobicContact CZ-CD1 4.35Å; Y394-L422 VanDerWaalsContact CB-CD2 3.47Å; Y394-L422 HydrophobicContact CD2-CD1 4.4Å; P395-L422 HydrophobicContact CB-CD2 4.39Å; P395-L422 HydrophobicContact CG-CD2 3.83Å; P395-L422 HydrophobicContact CG-CG 4.07Å; I398-L422 HydrophobicContact CD1-CD2 3.64Å; A418-L422 WeakPolarHBondContact O-CB 3.33Å; A418-L422 PolarHBondContact O-N 3.31Å; V420-L422 VanDerWaalsContact C-N 3.28Å; V420-L422 PolarHBondContact O-N 2.97Å; L422-I426 HydrophobicContact CD1-CD1 3.95Å; L422-I426 HydrophobicContact CD1-CG1 4.3Å; L422-I426 HydrophobicContact CG-CD1 4.12Å; L422-I426 WeakPolarHBondContact O-CD1 3.34Å; L422-I426 VanDerWaalsContact O-CG1 3.25Å; L422-I426 WeakPolarHBondContact O-CG1 3.29Å; L422-I426 PolarHBondContact O-N 2.82Å
423	K	98.5	Very high	98.1	Very high	104 Å²	104	52.8 Å²	52.8	45%	0.452	27%	0.269	S	S	.	.	H	α-helix	trans	-70.9	-38.4	176.9	-73.3	165.6	-174	165.8	0	111	L419 V420 L421 I426 G427	L419-K423 VanDerWaalsContact O-CD 3.25Å; L419-K423 WeakPolarHBondContact O-CD 3.4Å; L419-K423 VanDerWaalsContact O-CG 3.24Å; L419-K423 WeakPolarHBondContact O-CG 3.34Å; V420-K423 WeakPolarHBondContact O-CA 3.39Å; V420-K423 WeakPolarHBondContact O-CB 3.19Å; V420-K423 PolarHBondContact O-N 3.45Å; L421-K423 PolarHBondContact O-N 2.88Å; K423-I426 PolarHBondContact O-N 3.08Å; K423-G427 PolarHBondContact O-N 2.99Å
424	E	98.5	Very high	98	Very high	115 Å²	115	50.3 Å²	50.3	54%	0.537	27%	0.265	S	S	.	.	H	α-helix	trans	-67.5	-39.9	175.5	-66.4	174.4	168.6	0	0	111.4	V420 L421 G427 S428	V420-E424 PolarHBondContact O-N 3.19Å; L421-E424 PolarHBondContact O-N 2.94Å; E424-G427 PolarHBondContact O-N 3.47Å; E424-S428 WeakPolarHBondContact O-CB 3.35Å; E424-S428 PolarHBondContact O-N 3.29Å; E424-S428 PolarHBondContact O-OG 3.36Å
425	L	98.6	Very high	97.8	Very high	12 Å²	12	51.6 Å²	51.6	6%	0.063	27%	0.271	C	S	.	.	H	α-helix	trans	-59.5	-47.1	171	173.9	56.9	0	0	0	112.1	F326 A331 M334 K335 L421 G427 S428 V429	F326-L425 HydrophobicContact CD1-CD2 4.27Å; A331-L425 HydrophobicContact CB-CD1 4.4Å; A331-L425 HydrophobicContact CB-CD2 4.2Å; A331-L425 VanDerWaalsContact O-CD1 3.24Å; A331-L425 WeakPolarHBondContact O-CD1 3.4Å; M334-L425 HydrophobicContact CB-CD2 4.3Å; M334-L425 HydrophobicContact CG-CD2 4.26Å; M334-L425 HydrophobicContact SD-CD2 3.83Å; K335-L425 HydrophobicContact CB-CD1 3.69Å; K335-L425 HydrophobicContact CG-CD1 4.4Å; L421-L425 VanDerWaalsContact O-CB 3.31Å; L421-L425 WeakPolarHBondContact O-CB 2.96Å; L421-L425 PolarHBondContact O-N 2.94Å; L425-G427 PolarHBondContact O-N 3.01Å; L425-S428 WeakPolarHBondContact O-CB 3.39Å; L425-S428 PolarHBondContact O-N 2.59Å; L425-S428 VanDerWaalsContact O-N 3.17Å; L425-V429 HydrophobicContact CD1-CG2 4.45Å; L425-V429 WeakPolarHBondContact O-CG2 3.39Å; L425-V429 PolarHBondContact O-N 3.18Å
426	I	98.4	Very high	97.6	Very high	40 Å²	40	54.6 Å²	54.6	21%	0.205	29%	0.286	C	S	.	.	H	α-helix	trans	-62.4	-42	176.7	-70.6	163	0	0	0	111.3	I391 P395 L422 K423 S428 V429 D430	I391-I426 HydrophobicContact CD1-CG1 4.13Å; I391-I426 HydrophobicContact CG1-CD1 4.46Å; I391-I426 HydrophobicContact CG1-CG1 3.91Å; I391-I426 WeakPolarHBondContact O-CD1 3.31Å; P395-I426 HydrophobicContact CG-CD1 3.48Å; P395-I426 VanDerWaalsContact CG-CD1 3.48Å; L422-I426 HydrophobicContact CD1-CD1 3.95Å; L422-I426 HydrophobicContact CD1-CG1 4.3Å; L422-I426 HydrophobicContact CG-CD1 4.12Å; L422-I426 WeakPolarHBondContact O-CD1 3.34Å; L422-I426 VanDerWaalsContact O-CG1 3.25Å; L422-I426 WeakPolarHBondContact O-CG1 3.29Å; L422-I426 PolarHBondContact O-N 2.82Å; K423-I426 PolarHBondContact O-N 3.08Å; I426-S428 VanDerWaalsContact C-N 3.3Å; I426-S428 PolarHBondContact O-N 2.93Å; I426-V429 PolarHBondContact O-N 3.01Å; I426-D430 PolarHBondContact O-N 2.83Å
427	G	98.3	Very high	97.4	Very high	41 Å²	41	51.9 Å²	51.9	42%	0.423	28%	0.275	S	S	.	.	H	α-helix	trans	-63.8	-36	174	0	0	0	0	0	113	K423 E424 L425 D430 Q431	K423-G427 PolarHBondContact O-N 2.99Å; E424-G427 PolarHBondContact O-N 3.47Å; L425-G427 PolarHBondContact O-N 3.01Å; G427-D430 PolarHBondContact O-N 2.9Å; G427-Q431 PolarHBondContact O-N 2.82Å; G427-Q431 VanDerWaalsContact O-N 3.09Å
428	S	98.2	Very high	97.2	Very high	54 Å²	54	50.9 Å²	50.9	38%	0.378	27%	0.268	S	S	.	.	H	α-helix	trans	-69.4	-34.9	176.3	-59.1	0	0	0	0	112.5	E424 L425 I426 E432	E424-S428 WeakPolarHBondContact O-CB 3.35Å; E424-S428 PolarHBondContact O-N 3.29Å; E424-S428 PolarHBondContact O-OG 3.36Å; L425-S428 WeakPolarHBondContact O-CB 3.39Å; L425-S428 PolarHBondContact O-N 2.59Å; L425-S428 VanDerWaalsContact O-N 3.17Å; I426-S428 VanDerWaalsContact C-N 3.3Å; I426-S428 PolarHBondContact O-N 2.93Å; S428-E432 VanDerWaalsContact O-CB 3.27Å; S428-E432 WeakPolarHBondContact O-CB 3.39Å; S428-E432 PolarHBondContact O-N 3.18Å
429	V	98.2	Very high	97	Very high	12 Å²	12	53.6 Å²	53.6	7%	0.073	28%	0.282	C	S	.	.	H	α-helix	trans	-65.8	-47	171.2	168.4	0	0	0	0	111.2	K335 I391 L425 I426 Q431 E432 V433	K335-V429 HydrophobicContact CB-CG2 4.35Å; K335-V429 HydrophobicContact CG-CG2 4.1Å; I391-V429 HydrophobicContact CD1-CG2 4.34Å; L425-V429 HydrophobicContact CD1-CG2 4.45Å; L425-V429 WeakPolarHBondContact O-CG2 3.39Å; L425-V429 PolarHBondContact O-N 3.18Å; I426-V429 PolarHBondContact O-N 3.01Å; V429-Q431 PolarHBondContact O-N 3Å; V429-E432 PolarHBondContact O-N 3.12Å; V429-V433 HydrophobicContact CG1-CG2 4.26Å; V429-V433 WeakPolarHBondContact O-CB 3.26Å; V429-V433 VanDerWaalsContact O-CG2 3.26Å; V429-V433 WeakPolarHBondContact O-CG2 3.46Å; V429-V433 PolarHBondContact O-N 3.45Å
430	D	97.1	Very high	96.8	Very high	114 Å²	114	58 Å²	58	61%	0.61	30%	0.299	S	S	*	.	H	α-helix	trans	-61.1	-43.5	-179.8	-170	69	0	0	0	111.9	I426 G427 L434	I426-D430 PolarHBondContact O-N 2.83Å; G427-D430 PolarHBondContact O-N 2.9Å; D430-L434 WeakPolarHBondContact O-CB 3.39Å; D430-L434 PolarHBondContact O-N 2.91Å
431	Q	96.8	Very high	96.6	Very high	89 Å²	89	59 Å²	59	42%	0.416	30%	0.296	S	S	.	.	H	α-helix	trans	-64.2	-42.3	174.6	176	62	26.2	0	0	112.6	G427 V429 L434 E435	G427-Q431 PolarHBondContact O-N 2.82Å; G427-Q431 VanDerWaalsContact O-N 3.09Å; V429-Q431 PolarHBondContact O-N 3Å; Q431-L434 PolarHBondContact O-N 3.44Å; Q431-E435 PolarHBondContact NE2-OE1 3.36Å; Q431-E435 WeakPolarHBondContact O-CG 3.35Å; Q431-E435 PolarHBondContact O-N 3.17Å
432	E	97.1	Very high	96.4	Very high	65 Å²	65	56.7 Å²	56.7	30%	0.304	29%	0.285	S	S	.	.	H	α-helix	trans	-68.4	-40.6	178.8	-168.5	74.6	-122.2	0	0	111.6	K335 S339 S428 V429 L434 E435 L436	K335-E432 WeakPolarHBondContact CE-OE2 3.45Å; K335-E432 IonicContact NZ-OE2 2.67Å; K335-E432 PolarHBondContact NZ-OE2 3.22Å; S339-E432 WeakPolarHBondContact OG-CB 3.49Å; S428-E432 VanDerWaalsContact O-CB 3.27Å; S428-E432 WeakPolarHBondContact O-CB 3.39Å; S428-E432 PolarHBondContact O-N 3.18Å; V429-E432 PolarHBondContact O-N 3.12Å; E432-L434 VanDerWaalsContact C-N 3.31Å; E432-L434 PolarHBondContact O-N 2.92Å; E432-E435 PolarHBondContact O-N 3.38Å; E432-L436 HydrophobicContact CG-CD1 4.47Å; E432-L436 WeakPolarHBondContact O-CB 3.31Å; E432-L436 VanDerWaalsContact O-CG 3.31Å; E432-L436 WeakPolarHBondContact O-CG 3.48Å; E432-L436 PolarHBondContact O-N 3.19Å
433	V	96.4	Very high	96.3	Very high	25 Å²	25	62.2 Å²	62.2	15%	0.152	31%	0.311	C	S	.	.	H	α-helix	trans	-57.3	-45.4	171	169.3	0	0	0	0	110.8	C342 V429 L436 D437	C342-V433 HydrophobicContact CB-CG2 3.71Å; V429-V433 HydrophobicContact CG1-CG2 4.26Å; V429-V433 WeakPolarHBondContact O-CB 3.26Å; V429-V433 VanDerWaalsContact O-CG2 3.26Å; V429-V433 WeakPolarHBondContact O-CG2 3.46Å; V429-V433 PolarHBondContact O-N 3.45Å; V433-L436 PolarHBondContact O-N 3.41Å; V433-D437 WeakPolarHBondContact O-CB 3.23Å; V433-D437 PolarHBondContact O-N 3.45Å
434	L	94.8	Very high	96.1	Very high	71 Å²	71	61.2 Å²	61.2	37%	0.372	31%	0.307	S	S	.	.	H	α-helix	trans	-65.7	-36.3	178.6	179.3	61.6	0	0	0	112.3	D430 Q431 E432 R438	D430-L434 WeakPolarHBondContact O-CB 3.39Å; D430-L434 PolarHBondContact O-N 2.91Å; Q431-L434 PolarHBondContact O-N 3.44Å; E432-L434 VanDerWaalsContact C-N 3.31Å; E432-L434 PolarHBondContact O-N 2.92Å; L434-R438 VanDerWaalsContact CD2-NH1 3.27Å; L434-R438 WeakPolarHBondContact O-CB 3.33Å; L434-R438 WeakPolarHBondContact O-CD 3.32Å; L434-R438 VanDerWaalsContact O-CG 3.24Å; L434-R438 WeakPolarHBondContact O-CG 3.5Å; L434-R438 PolarHBondContact O-N 3.41Å
435	E	94.8	Very high	95.9	Very high	38 Å²	38	55.7 Å²	55.7	18%	0.178	28%	0.282	C	S	.	.	H	α-helix	trans	-70.5	-39.4	172.9	-72.9	-164.3	-143.4	0	0	112.6	Q431 E432 R438 N439 K472	Q431-E435 PolarHBondContact NE2-OE1 3.36Å; Q431-E435 WeakPolarHBondContact O-CG 3.35Å; Q431-E435 PolarHBondContact O-N 3.17Å; E432-E435 PolarHBondContact O-N 3.38Å; E435-R438 PolarHBondContact O-N 3.03Å; E435-N439 VanDerWaalsContact O-CB 3.3Å; E435-N439 WeakPolarHBondContact O-CB 3.2Å; E435-N439 PolarHBondContact O-N 3.34Å; E435-N439 PolarHBondContact O-ND2 2.94Å; E435-N439 VanDerWaalsContact O-ND2 3.14Å; E435-K472 IonicContact OE1-NZ 3.12Å; E435-K472 WeakPolarHBondContact OE2-CE 3.23Å; E435-K472 IonicContact OE2-NZ 2.71Å; E435-K472 PolarHBondContact OE2-NZ 3.32Å
436	L	94.5	Very high	95.8	Very high	62 Å²	62	58.2 Å²	58.2	33%	0.325	29%	0.293	S	S	.	.	H	α-helix	trans	-62.3	-41.6	173	-71.4	170	0	0	0	112.1	E432 V433 N439 R440	E432-L436 HydrophobicContact CG-CD1 4.47Å; E432-L436 WeakPolarHBondContact O-CB 3.31Å; E432-L436 VanDerWaalsContact O-CG 3.31Å; E432-L436 WeakPolarHBondContact O-CG 3.48Å; E432-L436 PolarHBondContact O-N 3.19Å; V433-L436 PolarHBondContact O-N 3.41Å; L436-N439 PolarHBondContact O-N 3.18Å; L436-R440 WeakPolarHBondContact O-CB 3.27Å; L436-R440 PolarHBondContact O-N 3.09Å
437	D	93.3	Very high	95.6	Very high	51 Å²	51	60.2 Å²	60.2	27%	0.273	32%	0.315	S	S	.	.	H	α-helix	trans	-64.8	-43	174.4	-92.2	-5.1	0	0	0	112	V433 R440 R441	V433-D437 WeakPolarHBondContact O-CB 3.23Å; V433-D437 PolarHBondContact O-N 3.45Å; D437-R440 IonicContact OD1-CZ 3.19Å; D437-R440 IonicContact OD1-NH1 2.82Å; D437-R440 PolarHBondContact OD1-NH1 3.11Å; D437-R440 IonicContact OD1-NH2 3.91Å; D437-R440 PolarHBondContact OD1-NH2 2.95Å; D437-R440 IonicContact OD2-NH2 2.67Å; D437-R441 VanDerWaalsContact O-CB 3.32Å; D437-R441 WeakPolarHBondContact O-CB 3.27Å; D437-R441 PolarHBondContact O-N 3.23Å
438	R	94.8	Very high	95.5	Very high	69 Å²	69	61.8 Å²	61.8	26%	0.26	31%	0.308	S	S	.	.	H	α-helix	trans	-61.6	-42.5	173.3	-79.5	161.2	159.8	151	0.2	112.3	L434 E435 R441 L442 L473 L474	L434-R438 VanDerWaalsContact CD2-NH1 3.27Å; L434-R438 WeakPolarHBondContact O-CB 3.33Å; L434-R438 WeakPolarHBondContact O-CD 3.32Å; L434-R438 VanDerWaalsContact O-CG 3.24Å; L434-R438 WeakPolarHBondContact O-CG 3.5Å; L434-R438 PolarHBondContact O-N 3.41Å; E435-R438 PolarHBondContact O-N 3.03Å; R438-R441 PolarHBondContact O-N 2.91Å; R438-L442 WeakPolarHBondContact O-CB 3.19Å; R438-L442 PolarHBondContact O-N 3.01Å; R438-L473 HydrophobicContact CB-CB 4.46Å; R438-L473 WeakPolarHBondContact CD-O 3.38Å; R438-L473 PolarHBondContact NE-O 2.96Å; R438-L474 PolarHBondContact NE-O 3.06Å; R438-L474 VanDerWaalsContact NE-O 3.11Å; R438-L474 PolarHBondContact NH2-O 3.28Å
439	N	94.7	Very high	95.4	Very high	58 Å²	58	59.8 Å²	59.8	31%	0.31	29%	0.293	S	S	.	.	H	α-helix	trans	-68.9	-42.3	180	-70.4	-24.9	0	0	0	111.4	E435 L436 R441 L442 Q443	E435-N439 VanDerWaalsContact O-CB 3.3Å; E435-N439 WeakPolarHBondContact O-CB 3.2Å; E435-N439 PolarHBondContact O-N 3.34Å; E435-N439 PolarHBondContact O-ND2 2.94Å; E435-N439 VanDerWaalsContact O-ND2 3.14Å; L436-N439 PolarHBondContact O-N 3.18Å; N439-R441 VanDerWaalsContact C-N 3.32Å; N439-R441 PolarHBondContact O-N 3.47Å; N439-L442 PolarHBondContact O-N 3.48Å; N439-Q443 WeakPolarHBondContact O-CG 3.32Å; N439-Q443 PolarHBondContact O-N 2.92Å
440	R	93.1	Very high	95.3	Very high	94 Å²	94	61 Å²	61	36%	0.355	30%	0.299	S	S	.	.	H	α-helix	trans	-59.2	-44.1	170.5	-175.7	-178.1	68.6	-117.5	-8.1	110.9	S343 L436 D437 L442 Q443 E444	S343-R440 PolarHBondContact O-NH1 3.29Å; L436-R440 WeakPolarHBondContact O-CB 3.27Å; L436-R440 PolarHBondContact O-N 3.09Å; D437-R440 IonicContact OD1-CZ 3.19Å; D437-R440 IonicContact OD1-NH1 2.82Å; D437-R440 PolarHBondContact OD1-NH1 3.11Å; D437-R440 IonicContact OD1-NH2 3.91Å; D437-R440 PolarHBondContact OD1-NH2 2.95Å; D437-R440 IonicContact OD2-NH2 2.67Å; R440-L442 VanDerWaalsContact C-N 3.35Å; R440-L442 PolarHBondContact O-N 3.22Å; R440-Q443 WeakPolarHBondContact O-CB 3.48Å; R440-Q443 PolarHBondContact O-N 2.86Å; R440-E444 IonicContact NE-OE1 4Å; R440-E444 WeakPolarHBondContact O-CG 3.34Å; R440-E444 PolarHBondContact O-N 2.86Å
441	R	94.4	Very high	95	Very high	73 Å²	73	61.3 Å²	61.3	28%	0.275	31%	0.308	S	S	.	.	H	α-helix	trans	-63	-40.7	178.4	179.9	53.5	177	-173.3	-7.5	112.5	D437 R438 N439 Q443 E444 V445 L473 E476	D437-R441 VanDerWaalsContact O-CB 3.32Å; D437-R441 WeakPolarHBondContact O-CB 3.27Å; D437-R441 PolarHBondContact O-N 3.23Å; R438-R441 PolarHBondContact O-N 2.91Å; N439-R441 VanDerWaalsContact C-N 3.32Å; N439-R441 PolarHBondContact O-N 3.47Å; R441-Q443 VanDerWaalsContact C-N 3.3Å; R441-Q443 PolarHBondContact O-N 2.76Å; R441-E444 VanDerWaalsContact CD-OE2 3.26Å; R441-E444 WeakPolarHBondContact CD-OE2 3.42Å; R441-E444 IonicContact CZ-OE2 2.73Å; R441-E444 IonicContact NE-OE2 3.61Å; R441-E444 IonicContact NH1-OE2 3.84Å; R441-E444 PolarHBondContact NH1-OE2 2.85Å; R441-E444 WeakPolarHBondContact O-CB 3.4Å; R441-E444 PolarHBondContact O-N 3.44Å; R441-V445 WeakPolarHBondContact O-CG2 3.44Å; R441-V445 PolarHBondContact O-N 3.24Å; R441-L473 HydrophobicContact CB-CD2 4.38Å; R441-L473 HydrophobicContact CG-CD2 4.15Å; R441-E476 VanDerWaalsContact CG-OE2 3.24Å; R441-E476 WeakPolarHBondContact CG-OE2 3.48Å; R441-E476 IonicContact CZ-OE1 3.81Å; R441-E476 IonicContact CZ-OE2 3.34Å; R441-E476 IonicContact NE-OE1 2.85Å; R441-E476 PolarHBondContact NE-OE1 3.42Å; R441-E476 IonicContact NE-OE2 3.04Å; R441-E476 PolarHBondContact NE-OE2 2.87Å; R441-E476 IonicContact NH2-OE1 3.94Å; R441-E476 PolarHBondContact NH2-OE1 3.49Å; R441-E476 IonicContact NH2-OE2 2.76Å
442	L	96	Very high	94.8	Very high	4 Å²	4	67.7 Å²	67.7	2%	0.021	33%	0.328	C	S	.	.	H	α-helix	trans	-62.4	-37.5	175.4	-173.7	59.6	0	0	0	112	R438 N439 R440 V445 Q446 L468 L469 R471 L473 M496	R438-L442 WeakPolarHBondContact O-CB 3.19Å; R438-L442 PolarHBondContact O-N 3.01Å; N439-L442 PolarHBondContact O-N 3.48Å; R440-L442 VanDerWaalsContact C-N 3.35Å; R440-L442 PolarHBondContact O-N 3.22Å; L442-V445 PolarHBondContact O-N 3.43Å; L442-Q446 WeakPolarHBondContact O-CB 3.22Å; L442-Q446 PolarHBondContact O-N 3.14Å; L442-L468 HydrophobicContact CD1-CB 4.17Å; L442-L469 HydrophobicContact CG-CD2 4.24Å; L442-R471 VanDerWaalsContact CD2-O 3.32Å; L442-R471 WeakPolarHBondContact CD2-O 3.46Å; L442-L473 HydrophobicContact CB-CB 4.3Å; L442-L473 HydrophobicContact CB-CD2 4.32Å; L442-L473 HydrophobicContact CD1-CB 4.38Å; L442-L473 HydrophobicContact CD2-CB 4.25Å; L442-M496 HydrophobicContact CD1-CE 3.56Å
443	Q	94.9	Very high	94.6	Very high	116 Å²	116	65.3 Å²	65.3	54%	0.542	32%	0.319	S	S	.	.	H	α-helix	trans	-66.2	-41.9	171.6	-67.3	168	-3.1	0	0	112.4	N439 R440 R441 V445 Q446 A447 L469	N439-Q443 WeakPolarHBondContact O-CG 3.32Å; N439-Q443 PolarHBondContact O-N 2.92Å; R440-Q443 WeakPolarHBondContact O-CB 3.48Å; R440-Q443 PolarHBondContact O-N 2.86Å; R441-Q443 VanDerWaalsContact C-N 3.3Å; R441-Q443 PolarHBondContact O-N 2.76Å; Q443-V445 VanDerWaalsContact C-N 3.31Å; Q443-V445 PolarHBondContact O-N 3.25Å; Q443-Q446 PolarHBondContact O-N 3.2Å; Q443-A447 VanDerWaalsContact O-CB 3.3Å; Q443-A447 WeakPolarHBondContact O-CB 3.46Å; Q443-A447 PolarHBondContact O-N 2.66Å; Q443-L469 HydrophobicContact CG-CD2 4.18Å
444	E	94.7	Very high	94.5	Very high	82 Å²	82	68.5 Å²	68.5	38%	0.383	33%	0.333	S	S	.	.	H	α-helix	trans	-57.8	-43.4	173.3	-68.5	169.1	-165	0	0	111.7	R440 R441 R448	R440-E444 IonicContact NE-OE1 4Å; R440-E444 WeakPolarHBondContact O-CG 3.34Å; R440-E444 PolarHBondContact O-N 2.86Å; R441-E444 VanDerWaalsContact CD-OE2 3.26Å; R441-E444 WeakPolarHBondContact CD-OE2 3.42Å; R441-E444 IonicContact CZ-OE2 2.73Å; R441-E444 IonicContact NE-OE2 3.61Å; R441-E444 IonicContact NH1-OE2 3.84Å; R441-E444 PolarHBondContact NH1-OE2 2.85Å; R441-E444 WeakPolarHBondContact O-CB 3.4Å; R441-E444 PolarHBondContact O-N 3.44Å; E444-R448 VanDerWaalsContact O-CG 3.29Å; E444-R448 WeakPolarHBondContact O-CG 3.4Å; E444-R448 PolarHBondContact O-N 3.15Å
445	V	95.8	Very high	94.4	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-70.1	-41.4	179.5	174.2	0	0	0	0	111.3	R441 L442 Q443 R448 L449 L494 L503 F510	R441-V445 WeakPolarHBondContact O-CG2 3.44Å; R441-V445 PolarHBondContact O-N 3.24Å; L442-V445 PolarHBondContact O-N 3.43Å; Q443-V445 VanDerWaalsContact C-N 3.31Å; Q443-V445 PolarHBondContact O-N 3.25Å; V445-R448 PolarHBondContact O-N 2.92Å; V445-L449 PolarHBondContact O-N 3.33Å; V445-L494 HydrophobicContact CG1-CD1 3.95Å; V445-L494 HydrophobicContact CG1-CD2 4.42Å; V445-L503 HydrophobicContact CG1-CD1 3.63Å; V445-F510 HydrophobicContact CB-CE2 4.26Å; V445-F510 HydrophobicContact CG1-CD2 3.86Å; V445-F510 HydrophobicContact CG1-CE2 3.9Å; V445-F510 HydrophobicContact CG2-CE2 4.07Å
446	Q	94.8	Very high	94.1	Very high	65 Å²	65	71.1 Å²	71.1	30%	0.304	34%	0.344	S	S	.	.	H	α-helix	trans	-64.5	-41.1	176.3	-175.3	-86.7	-2.7	0	0	112	L442 Q443 R448 L449 G465 L468 L469	L442-Q446 WeakPolarHBondContact O-CB 3.22Å; L442-Q446 PolarHBondContact O-N 3.14Å; Q443-Q446 PolarHBondContact O-N 3.2Å; Q446-R448 PolarHBondContact O-N 3.2Å; Q446-L449 WeakPolarHBondContact O-CB 3.27Å; Q446-L449 PolarHBondContact O-N 3.09Å; Q446-L449 VanDerWaalsContact O-N 3.17Å; Q446-G465 WeakPolarHBondContact CG-O 3.27Å; Q446-L468 HydrophobicContact CB-CD1 4.34Å; Q446-L469 HydrophobicContact CB-CD2 4.23Å; Q446-L469 HydrophobicContact CB-CG 4.5Å; Q446-L469 HydrophobicContact CG-CD1 4.09Å; Q446-L469 HydrophobicContact CG-CD2 4.35Å; Q446-L469 HydrophobicContact CG-CG 4.08Å
447	A	95.3	Very high	93.6	Very high	81 Å²	81	68.8 Å²	68.8	67%	0.669	33%	0.332	S	S	*	.	H	α-helix	trans	-69.3	-21	177.5	0	0	0	0	0	113.4	Q443	Q443-A447 VanDerWaalsContact O-CB 3.3Å; Q443-A447 WeakPolarHBondContact O-CB 3.46Å; Q443-A447 PolarHBondContact O-N 2.66Å
448	R	96.1	Very high	92.6	Very high	74 Å²	74	70.9 Å²	70.9	28%	0.279	34%	0.339	S	S	.	.	H	α-helix	trans	-90.3	-13.9	172.6	-70.9	-178.7	74.9	-155	9.1	113.8	E444 V445 Q446 E505 Q508 K509 F510	E444-R448 VanDerWaalsContact O-CG 3.29Å; E444-R448 WeakPolarHBondContact O-CG 3.4Å; E444-R448 PolarHBondContact O-N 3.15Å; V445-R448 PolarHBondContact O-N 2.92Å; Q446-R448 PolarHBondContact O-N 3.2Å; R448-E505 IonicContact CZ-OE1 3.75Å; R448-E505 IonicContact CZ-OE2 3.43Å; R448-E505 IonicContact NH1-OE1 3.88Å; R448-E505 IonicContact NH1-OE2 2.9Å; R448-E505 PolarHBondContact NH1-OE2 3.06Å; R448-E505 IonicContact NH2-OE1 2.73Å; R448-E505 PolarHBondContact NH2-OE1 3.45Å; R448-E505 IonicContact NH2-OE2 3.11Å; R448-E505 PolarHBondContact NH2-OE2 3.16Å; R448-E505 VanDerWaalsContact NH2-OE2 3.11Å; R448-Q508 PolarHBondContact NE-O 3.13Å; R448-Q508 VanDerWaalsContact NE-O 3.12Å; R448-Q508 PolarHBondContact NH2-O 3.34Å; R448-K509 CarbonylContact O-C 3.53Å; R448-K509 VanDerWaalsContact O-CA 3.26Å; R448-K509 WeakPolarHBondContact O-CA 3.42Å; R448-K509 WeakPolarHBondContact O-CB 3.22Å; R448-F510 HydrophobicContact CB-CD2 3.7Å; R448-F510 HydrophobicContact CB-CE2 4.07Å; R448-F510 PolarHBondContact O-N 3.43Å
449	L	96.5	Very high	91.3	Very high	12 Å²	12	71.9 Å²	71.9	6%	0.063	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-68.2	136.3	177.3	-166.8	77.9	0	0	0	109.5	V445 Q446 P451 A453 L468 L503 F510 F512	V445-L449 PolarHBondContact O-N 3.33Å; Q446-L449 WeakPolarHBondContact O-CB 3.27Å; Q446-L449 PolarHBondContact O-N 3.09Å; Q446-L449 VanDerWaalsContact O-N 3.17Å; L449-P451 WeakPolarHBondContact O-CD 3.42Å; L449-A453 HydrophobicContact CD1-CB 4.46Å; L449-A453 HydrophobicContact CG-CB 4.29Å; L449-L468 HydrophobicContact CD2-CD1 4.19Å; L449-L503 HydrophobicContact CD1-CD2 3.83Å; L449-F510 CarbonylContact C-O 3.59Å; L449-F510 WeakPolarHBondContact CA-O 3.32Å; L449-F510 HydrophobicContact CD1-CB 3.89Å; L449-F512 HydrophobicContact CD2-CE2 4.05Å; L449-F512 HydrophobicContact CD2-CZ 3.98Å
450	D	94.8	Very high	90	Very high	37 Å²	37	72 Å²	72	20%	0.198	39%	0.386	C	S	.	.			trans	-63.4	129	175	-165.5	-78	0	0	0	110.2	R452 A453 K509 F510 T511	D450-R452 PolarHBondContact O-N 3.47Å; D450-R452 WeakPolarHBondContact OD1-CB 3.37Å; D450-R452 PolarHBondContact OD1-N 2.87Å; D450-A453 HydrophobicContact CB-CB 4.24Å; D450-A453 VanDerWaalsContact O-CB 3.24Å; D450-A453 WeakPolarHBondContact O-CB 3.49Å; D450-A453 PolarHBondContact O-N 3.31Å; D450-K509 HydrophobicContact CB-CD 4.33Å; D450-K509 WeakPolarHBondContact OD2-CD 3.18Å; D450-K509 IonicContact OD2-NZ 2.77Å; D450-K509 PolarHBondContact OD2-NZ 3.18Å; D450-F510 PolarHBondContact N-O 3.12Å; D450-T511 HydrophobicContact CB-CG2 4.31Å
451	P	91.6	Very high	89.5	Confident	121 Å²	121	69.5 Å²	69.5	79%	0.786	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-17.9	-178.8	-27.1	35.9	0	0	0	115	L449	L449-P451 WeakPolarHBondContact O-CD 3.42Å
452	R	92.3	Very high	89.2	Confident	224 Å²	224	67.6 Å²	67.6	85%	0.845	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-7.6	174.9	-59.1	-179.2	177.5	-176	-1.1	113.2	D450 Q454	D450-R452 PolarHBondContact O-N 3.47Å; D450-R452 WeakPolarHBondContact OD1-CB 3.37Å; D450-R452 PolarHBondContact OD1-N 2.87Å; R452-Q454 PolarHBondContact O-N 3.48Å
453	A	93.6	Very high	89	Confident	14 Å²	14	67.4 Å²	67.4	12%	0.116	39%	0.388	C	S	.	.			trans	-67.7	125.3	176.8	0	0	0	0	0	110.1	L449 D450 F512	L449-A453 HydrophobicContact CD1-CB 4.46Å; L449-A453 HydrophobicContact CG-CB 4.29Å; D450-A453 HydrophobicContact CB-CB 4.24Å; D450-A453 VanDerWaalsContact O-CB 3.24Å; D450-A453 WeakPolarHBondContact O-CB 3.49Å; D450-A453 PolarHBondContact O-N 3.31Å; A453-F512 HydrophobicContact CB-CD2 3.93Å; A453-F512 HydrophobicContact CB-CE2 4.21Å; A453-F512 WeakPolarHBondContact O-CE2 3.39Å
454	Q	93.3	Very high	88.9	Confident	92 Å²	92	68.6 Å²	68.6	43%	0.43	39%	0.387	S	S	.	.			trans	-139.5	151.8	170.8	65.5	-175.4	17.1	0	0	110.1	R452 A462 F463 R464	R452-Q454 PolarHBondContact O-N 3.48Å; Q454-A462 HydrophobicContact CB-CB 4.18Å; Q454-A462 HydrophobicContact CG-CB 4.4Å; Q454-F463 CarbonylContact C-O 3.4Å; Q454-F463 WeakPolarHBondContact CA-O 3.22Å; Q454-R464 HydrophobicContact CB-CG 3.8Å; Q454-R464 VanDerWaalsContact OE1-NE 3.08Å
455	A	92.6	Very high	88.7	Confident	5 Å²	5	65.2 Å²	65.2	4%	0.041	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	135.8	173.3	0	0	0	0	0	109.8	F463 F512 P519 V520	A455-F463 HydrophobicContact CB-CB 4.46Å; A455-F463 PolarHBondContact N-O 2.86Å; A455-F463 WeakPolarHBondContact O-CB 3.1Å; A455-F463 PolarHBondContact O-N 3.33Å; A455-F512 HydrophobicContact CB-CB 4.07Å; A455-F512 HydrophobicContact CB-CD1 4.14Å; A455-F512 HydrophobicContact CB-CD2 4.08Å; A455-F512 HydrophobicContact CB-CG 3.83Å; A455-P519 HydrophobicContact CB-CG 3.69Å; A455-V520 HydrophobicContact CB-CG2 3.92Å
456	E	88.2	Confident	88.3	Confident	159 Å²	159	67.5 Å²	67.5	74%	0.743	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.9	137.1	170.8	-64.3	-171.3	169.7	0	0	110.3	S518	E456-S518 PolarHBondContact O-OG 2.98Å
457	V	85.7	Confident	88.1	Confident	14 Å²	14	65.2 Å²	65.2	9%	0.085	39%	0.387	C	S	.	.			trans	-122.1	154.6	-177.9	-54.6	0	0	0	0	112.2	G459 G460 G461 F463 V520 L582 I583	V457-G459 PolarHBondContact O-N 2.71Å; V457-G460 PolarHBondContact O-N 3.08Å; V457-G461 PolarHBondContact N-O 3.48Å; V457-F463 HydrophobicContact CG1-CB 3.7Å; V457-F463 HydrophobicContact CG1-CD2 4.45Å; V457-F463 HydrophobicContact CG1-CG 4.38Å; V457-V520 HydrophobicContact CG1-CB 3.98Å; V457-V520 HydrophobicContact CG1-CG1 4.07Å; V457-L582 HydrophobicContact CG2-CB 4.45Å; V457-I583 HydrophobicContact CG2-CD1 3.4Å; V457-I583 HydrophobicContact CG2-CG1 3.96Å
458	K	72.3	Confident	88	Confident	94 Å²	94	61.3 Å²	61.3	41%	0.409	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	127.8	178.1	-60.7	167.9	-170.1	174.1	0	109.5	S542 S544 E548	K458-S542 PolarHBondContact NZ-OG 3.4Å; K458-S544 PolarHBondContact NZ-OG 2.83Å; K458-E548 WeakPolarHBondContact CE-OE2 3.36Å; K458-E548 IonicContact NZ-OE2 3.9Å; K458-E548 PolarHBondContact NZ-OE2 3.01Å
459	G	67.6	Low	87.7	Confident	90 Å²	90	61.9 Å²	61.9	93%	0.928	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.8	-15.8	-170.3	0	0	0	0	0	114.3	V457	V457-G459 PolarHBondContact O-N 2.71Å
460	G	66.3	Low	87.4	Confident	62 Å²	62	64 Å²	64	64%	0.639	37%	0.371	S	S	*	.	S	Bend	trans	91.2	135.3	179.9	0	0	0	0	0	112.7	V457	V457-G460 PolarHBondContact O-N 3.08Å
461	G	81.8	Confident	87.2	Confident	40 Å²	40	62.7 Å²	62.7	41%	0.412	36%	0.363	S	S	.	.			trans	129	158.5	-179.5	0	0	0	0	0	113.3	V457	V457-G461 PolarHBondContact N-O 3.48Å
462	A	89.4	Confident	87.4	Confident	33 Å²	33	62.1 Å²	62.1	27%	0.273	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	105.3	-177.5	0	0	0	0	0	111.6	Q454 I583	Q454-A462 HydrophobicContact CB-CB 4.18Å; Q454-A462 HydrophobicContact CG-CB 4.4Å; A462-I583 VanDerWaalsContact C-CD1 3.47Å
463	F	92.4	Very high	87.6	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	129.9	174.3	-172.6	-78.4	0	0	0	109.5	Q454 A455 V457 E467 L468 I499 V501 F512 V520 I583	Q454-F463 CarbonylContact C-O 3.4Å; Q454-F463 WeakPolarHBondContact CA-O 3.22Å; A455-F463 HydrophobicContact CB-CB 4.46Å; A455-F463 PolarHBondContact N-O 2.86Å; A455-F463 WeakPolarHBondContact O-CB 3.1Å; A455-F463 PolarHBondContact O-N 3.33Å; V457-F463 HydrophobicContact CG1-CB 3.7Å; V457-F463 HydrophobicContact CG1-CD2 4.45Å; V457-F463 HydrophobicContact CG1-CG 4.38Å; F463-E467 HydrophobicContact CD1-CB 4.21Å; F463-E467 HydrophobicContact CD2-CB 3.76Å; F463-E467 HydrophobicContact CD2-CG 3.98Å; F463-E467 HydrophobicContact CE1-CB 3.91Å; F463-E467 HydrophobicContact CE2-CB 3.45Å; F463-E467 VanDerWaalsContact CE2-CB 3.45Å; F463-E467 HydrophobicContact CE2-CG 4.11Å; F463-E467 HydrophobicContact CG-CB 4.14Å; F463-E467 HydrophobicContact CG-CG 4.36Å; F463-E467 HydrophobicContact CZ-CB 3.51Å; F463-L468 HydrophobicContact CE1-CD2 3.79Å; F463-L468 HydrophobicContact CE1-CG 4.45Å; F463-L468 HydrophobicContact CZ-CD2 4.12Å; F463-I499 HydrophobicContact CE2-CD1 3.66Å; F463-I499 HydrophobicContact CZ-CD1 3.48Å; F463-I499 VanDerWaalsContact CZ-CD1 3.48Å; F463-V501 HydrophobicContact CE1-CG2 4.47Å; F463-V501 HydrophobicContact CZ-CG2 4.4Å; F463-F512 AromaticContact CD1-CE1 3.77Å; F463-F512 HydrophobicContact CD1-CE1 3.77Å; F463-F512 AromaticContact CD1-CZ 3.65Å; F463-F512 HydrophobicContact CD1-CZ 3.65Å; F463-F512 AromaticContact CE1-CE1 3.9Å; F463-F512 HydrophobicContact CE1-CE1 3.9Å; F463-F512 AromaticContact CE1-CZ 3.98Å; F463-F512 HydrophobicContact CE1-CZ 3.98Å; F463-V520 HydrophobicContact CB-CG2 4.48Å; F463-V520 HydrophobicContact CD1-CG2 3.83Å; F463-V520 HydrophobicContact CD2-CG1 4.08Å; F463-V520 HydrophobicContact CE1-CG2 4.18Å; F463-V520 HydrophobicContact CE2-CG1 4.11Å; F463-V520 HydrophobicContact CG-CG1 4.37Å; F463-V520 HydrophobicContact CG-CG2 4.06Å; F463-V520 HydrophobicContact CZ-CG1 4.46Å; F463-I583 HydrophobicContact CB-CD1 4.11Å; F463-I583 HydrophobicContact CB-CG1 4.22Å; F463-I583 HydrophobicContact CD2-CG1 4.24Å
464	R	92.2	Very high	87.8	Confident	141 Å²	141	53.5 Å²	53.5	53%	0.532	32%	0.317	S	S	.	.			trans	-136.3	171.5	-170.7	-71.5	176.8	178.4	171.7	0.6	111.2	Q454 G466 E467	Q454-R464 HydrophobicContact CB-CG 3.8Å; Q454-R464 VanDerWaalsContact OE1-NE 3.08Å; R464-G466 PolarHBondContact O-N 3.39Å; R464-E467 WeakPolarHBondContact O-CB 3.34Å; R464-E467 PolarHBondContact O-N 3.09Å
465	G	90.1	Very high	88	Confident	12 Å²	12	51.6 Å²	51.6	12%	0.124	31%	0.307	C	S	.	.	H	α-helix	trans	-53.5	-28.4	-176.8	0	0	0	0	0	116.2	Q446 E467 L468	Q446-G465 WeakPolarHBondContact CG-O 3.27Å; G465-E467 VanDerWaalsContact C-N 3.31Å; G465-E467 PolarHBondContact O-N 2.75Å; G465-L468 WeakPolarHBondContact O-CB 3.41Å; G465-L468 PolarHBondContact O-N 3.1Å
466	G	88.1	Confident	88.2	Confident	47 Å²	47	53.7 Å²	53.7	49%	0.485	32%	0.316	S	S	.	.	H	α-helix	trans	-65.2	-30.1	174.2	0	0	0	0	0	114.1	R464 L468 L469	R464-G466 PolarHBondContact O-N 3.39Å; G466-L468 PolarHBondContact O-N 3.13Å; G466-L469 PolarHBondContact O-N 2.7Å
467	E	90.6	Very high	88.6	Confident	17 Å²	17	47 Å²	47	8%	0.079	29%	0.29	C	S	.	.	H	α-helix	trans	-68.8	-22.6	177.1	-76.3	-66.9	158.5	0	0	113	F463 R464 G465 R470 R471 I583 E584	F463-E467 HydrophobicContact CD1-CB 4.21Å; F463-E467 HydrophobicContact CD2-CB 3.76Å; F463-E467 HydrophobicContact CD2-CG 3.98Å; F463-E467 HydrophobicContact CE1-CB 3.91Å; F463-E467 HydrophobicContact CE2-CB 3.45Å; F463-E467 VanDerWaalsContact CE2-CB 3.45Å; F463-E467 HydrophobicContact CE2-CG 4.11Å; F463-E467 HydrophobicContact CG-CB 4.14Å; F463-E467 HydrophobicContact CG-CG 4.36Å; F463-E467 HydrophobicContact CZ-CB 3.51Å; R464-E467 WeakPolarHBondContact O-CB 3.34Å; R464-E467 PolarHBondContact O-N 3.09Å; G465-E467 VanDerWaalsContact C-N 3.31Å; G465-E467 PolarHBondContact O-N 2.75Å; E467-R470 IonicContact OE1-NH1 3.43Å; E467-R470 WeakPolarHBondContact OE2-CD 3.46Å; E467-R470 IonicContact OE2-CZ 2.74Å; E467-R470 IonicContact OE2-NE 3.29Å; E467-R470 IonicContact OE2-NH1 2.7Å; E467-R470 PolarHBondContact OE2-NH1 3.41Å; E467-R471 PolarHBondContact O-NH1 2.97Å; E467-R471 IonicContact OE2-CZ 3.48Å; E467-R471 IonicContact OE2-NH1 3.45Å; E467-R471 PolarHBondContact OE2-NH1 3.38Å; E467-I583 WeakPolarHBondContact OE1-CA 3.5Å; E467-E584 PolarHBondContact OE1-N 2.78Å
468	L	92.8	Very high	89.2	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-64.6	-44	174.5	-55.6	174.3	0	0	0	110.3	L442 Q446 L449 F463 G465 G466 R470 R471 L494 M496 V501	L442-L468 HydrophobicContact CD1-CB 4.17Å; Q446-L468 HydrophobicContact CB-CD1 4.34Å; L449-L468 HydrophobicContact CD2-CD1 4.19Å; F463-L468 HydrophobicContact CE1-CD2 3.79Å; F463-L468 HydrophobicContact CE1-CG 4.45Å; F463-L468 HydrophobicContact CZ-CD2 4.12Å; G465-L468 WeakPolarHBondContact O-CB 3.41Å; G465-L468 PolarHBondContact O-N 3.1Å; G466-L468 PolarHBondContact O-N 3.13Å; L468-R470 PolarHBondContact O-N 3.1Å; L468-R471 PolarHBondContact O-N 2.63Å; L468-L494 HydrophobicContact CD2-CD1 4.47Å; L468-M496 HydrophobicContact CB-CE 4.23Å; L468-M496 HydrophobicContact CD2-CE 3.61Å; L468-M496 HydrophobicContact CD2-SD 4.47Å; L468-M496 HydrophobicContact CG-CE 4.49Å; L468-V501 HydrophobicContact CD2-CG1 4.38Å; L468-V501 HydrophobicContact CD2-CG2 4.15Å
469	L	89.9	Confident	90.4	Very high	85 Å²	85	46 Å²	46	45%	0.445	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-8.9	-175.2	-59	178.7	0	0	0	113.9	L442 Q443 Q446 G466 R471	L442-L469 HydrophobicContact CG-CD2 4.24Å; Q443-L469 HydrophobicContact CG-CD2 4.18Å; Q446-L469 HydrophobicContact CB-CD2 4.23Å; Q446-L469 HydrophobicContact CB-CG 4.5Å; Q446-L469 HydrophobicContact CG-CD1 4.09Å; Q446-L469 HydrophobicContact CG-CD2 4.35Å; Q446-L469 HydrophobicContact CG-CG 4.08Å; G466-L469 PolarHBondContact O-N 2.7Å; L469-R471 PolarHBondContact O-N 2.97Å
470	R	89.3	Confident	91.8	Very high	57 Å²	57	43.6 Å²	43.6	22%	0.215	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-3.2	171.3	-66.2	176	65.9	-103.4	-7.9	113	E467 L468 F580 E584	E467-R470 IonicContact OE1-NH1 3.43Å; E467-R470 WeakPolarHBondContact OE2-CD 3.46Å; E467-R470 IonicContact OE2-CZ 2.74Å; E467-R470 IonicContact OE2-NE 3.29Å; E467-R470 IonicContact OE2-NH1 2.7Å; E467-R470 PolarHBondContact OE2-NH1 3.41Å; L468-R470 PolarHBondContact O-N 3.1Å; R470-F580 HydrophobicContact CB-CZ 4.32Å; R470-F580 WeakPolarHBondContact O-CZ 3.47Å; R470-E584 IonicContact CZ-OE1 3.64Å; R470-E584 IonicContact CZ-OE2 2.85Å; R470-E584 IonicContact NE-OE1 3.79Å; R470-E584 PolarHBondContact NE-OE1 3.42Å; R470-E584 IonicContact NE-OE2 3.44Å; R470-E584 PolarHBondContact NE-OE2 3.46Å; R470-E584 VanDerWaalsContact NH2-CD 3.25Å; R470-E584 IonicContact NH2-OE1 3.34Å; R470-E584 PolarHBondContact NH2-OE1 3.15Å; R470-E584 IonicContact NH2-OE2 3.78Å
471	R	92.4	Very high	93.2	Very high	10 Å²	10	40.6 Å²	40.6	4%	0.038	23%	0.229	C	C	.	.	S	Bend	trans	-131.5	154.3	-164	-65	170.3	161.9	85.2	5.5	112.2	L442 E467 L468 L469 M496 D498 F580 L582	L442-R471 VanDerWaalsContact CD2-O 3.32Å; L442-R471 WeakPolarHBondContact CD2-O 3.46Å; E467-R471 PolarHBondContact O-NH1 2.97Å; E467-R471 IonicContact OE2-CZ 3.48Å; E467-R471 IonicContact OE2-NH1 3.45Å; E467-R471 PolarHBondContact OE2-NH1 3.38Å; L468-R471 PolarHBondContact O-N 2.63Å; L469-R471 PolarHBondContact O-N 2.97Å; R471-M496 HydrophobicContact CB-CB 4.27Å; R471-M496 HydrophobicContact CB-SD 3.78Å; R471-M496 HydrophobicContact CG-SD 4.35Å; R471-D498 WeakPolarHBondContact CD-OD1 3.24Å; R471-D498 WeakPolarHBondContact CG-OD1 3.32Å; R471-D498 IonicContact CZ-OD1 2.6Å; R471-D498 IonicContact CZ-OD2 2.81Å; R471-D498 IonicContact NE-OD1 3.32Å; R471-D498 PolarHBondContact NE-OD1 3.4Å; R471-D498 IonicContact NE-OD2 2.73Å; R471-D498 PolarHBondContact NE-OD2 3.29Å; R471-D498 IonicContact NH2-OD2 3.14Å; R471-D498 PolarHBondContact NH2-OD2 3.23Å; R471-F580 HydrophobicContact CG-CE1 3.88Å; R471-F580 HydrophobicContact CG-CZ 3.88Å; R471-L582 PolarHBondContact NH1-O 2.76Å; R471-L582 PolarHBondContact NH2-O 2.87Å
472	K	94.4	Very high	93.8	Very high	108 Å²	108	42.5 Å²	42.5	47%	0.47	23%	0.226	S	C	.	.			trans	-86.6	127.5	170.5	-67.8	-164.8	176.8	-166.5	0	110.3	E435 M496 S497	E435-K472 IonicContact OE1-NZ 3.12Å; E435-K472 WeakPolarHBondContact OE2-CE 3.23Å; E435-K472 IonicContact OE2-NZ 2.71Å; E435-K472 PolarHBondContact OE2-NZ 3.32Å; K472-M496 CarbonylContact O-C 3.54Å; K472-M496 VanDerWaalsContact O-CA 3.22Å; K472-M496 WeakPolarHBondContact O-CA 3.45Å; K472-S497 PolarHBondContact N-OG 3.34Å; K472-S497 PolarHBondContact O-N 3.42Å
473	L	97.5	Very high	93.9	Very high	5 Å²	5	41.6 Å²	41.6	3%	0.026	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	121.1	169.8	180	66.3	0	0	0	109.4	R438 R441 L442 E476 L494	R438-L473 HydrophobicContact CB-CB 4.46Å; R438-L473 WeakPolarHBondContact CD-O 3.38Å; R438-L473 PolarHBondContact NE-O 2.96Å; R441-L473 HydrophobicContact CB-CD2 4.38Å; R441-L473 HydrophobicContact CG-CD2 4.15Å; L442-L473 HydrophobicContact CB-CB 4.3Å; L442-L473 HydrophobicContact CB-CD2 4.32Å; L442-L473 HydrophobicContact CD1-CB 4.38Å; L442-L473 HydrophobicContact CD2-CB 4.25Å; L473-E476 HydrophobicContact CD1-CB 4.45Å; L473-L494 HydrophobicContact CD1-CB 3.93Å; L473-L494 HydrophobicContact CD1-CD2 4.22Å
474	L	96.7	Very high	93.5	Very high	53 Å²	53	48.8 Å²	48.8	28%	0.277	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-43.2	-179.2	-58	-177.5	0	0	0	112	R438 L495 A570	R438-L474 PolarHBondContact NE-O 3.06Å; R438-L474 VanDerWaalsContact NE-O 3.11Å; R438-L474 PolarHBondContact NH2-O 3.28Å; L474-L495 HydrophobicContact CB-CD2 4.47Å; L474-L495 HydrophobicContact CB-CG 4.31Å; L474-L495 PolarHBondContact N-O 3.42Å; L474-A570 HydrophobicContact CD1-CB 3.58Å
475	H	97.1	Very high	93	Very high	51 Å²	51	46.7 Å²	46.7	24%	0.236	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	149.3	179.6	-166.5	52	0	0	0	110.4	L495 W563	H475-L495 HydrophobicContact CB-CB 4.16Å; H475-L495 HydrophobicContact CB-CD2 4.23Å; H475-L495 PolarHBondContact N-O 3.14Å; H475-L495 PolarHBondContact O-N 2.92Å; H475-W563 AromaticContact CD2-CD2 3.73Å; H475-W563 AromaticContact CD2-CE2 3.63Å; H475-W563 AromaticContact CD2-CE3 3.85Å; H475-W563 AromaticContact CD2-CH2 3.84Å; H475-W563 AromaticContact CD2-CZ2 3.7Å; H475-W563 AromaticContact CD2-CZ3 3.91Å; H475-W563 AromaticContact NE2-CE2 3.69Å; H475-W563 AromaticContact NE2-CZ2 3.98Å; H475-W563 AromaticContact NE2-NE1 3.8Å
476	E	96.8	Very high	92.7	Very high	49 Å²	49	49.5 Å²	49.5	23%	0.229	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	160.7	170.4	69	151.4	-117.8	0	0	111.5	R441 L473 Q492 V493 L494	R441-E476 VanDerWaalsContact CG-OE2 3.24Å; R441-E476 WeakPolarHBondContact CG-OE2 3.48Å; R441-E476 IonicContact CZ-OE1 3.81Å; R441-E476 IonicContact CZ-OE2 3.34Å; R441-E476 IonicContact NE-OE1 2.85Å; R441-E476 PolarHBondContact NE-OE1 3.42Å; R441-E476 IonicContact NE-OE2 3.04Å; R441-E476 PolarHBondContact NE-OE2 2.87Å; R441-E476 IonicContact NH2-OE1 3.94Å; R441-E476 PolarHBondContact NH2-OE1 3.49Å; R441-E476 IonicContact NH2-OE2 2.76Å; L473-E476 HydrophobicContact CD1-CB 4.45Å; E476-Q492 PolarHBondContact OE1-NE2 3.45Å; E476-V493 VanDerWaalsContact CA-O 3.27Å; E476-V493 WeakPolarHBondContact CA-O 3.34Å; E476-L494 HydrophobicContact CB-CD2 3.87Å
477	G	97.3	Very high	92.7	Very high	18 Å²	18	57.5 Å²	57.5	19%	0.186	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.8	170.6	172.9	0	0	0	0	0	111.9	Q492 V493	G477-Q492 PolarHBondContact O-OE1 2.9Å; G477-V493 PolarHBondContact N-O 3.25Å; G477-V493 VanDerWaalsContact N-O 3.17Å; G477-V493 PolarHBondContact O-N 2.73Å
478	T	97.6	Very high	92.8	Very high	86 Å²	86	61 Å²	61	53%	0.528	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	125.4	-180	-44.1	0	0	0	0	110.1	D490 V491 Q492	T478-D490 HydrophobicContact CG2-CB 4.08Å; T478-V491 WeakPolarHBondContact CA-O 3.48Å; T478-Q492 PolarHBondContact OG1-OE1 2.67Å
479	L	98	Very high	92.9	Very high	2 Å²	2	65.1 Å²	65.1	1%	0.01	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	151.1	172.7	-66	179.7	0	0	0	109.6	V491 V493 M538 L552 A554 W563	L479-V491 PolarHBondContact N-O 3.21Å; L479-V491 VanDerWaalsContact O-CG2 3.23Å; L479-V491 WeakPolarHBondContact O-CG2 3.43Å; L479-V491 PolarHBondContact O-N 3.43Å; L479-V493 HydrophobicContact CB-CG2 3.97Å; L479-V493 HydrophobicContact CD1-CB 4.32Å; L479-V493 HydrophobicContact CD1-CG2 3.98Å; L479-V493 HydrophobicContact CG-CG2 4.13Å; L479-M538 HydrophobicContact CD1-CE 3.56Å; L479-L552 HydrophobicContact CD1-CB 4.48Å; L479-L552 HydrophobicContact CD1-CD1 4.13Å; L479-A554 HydrophobicContact CD2-CB 3.88Å; L479-W563 HydrophobicContact CD1-CD2 3.97Å; L479-W563 HydrophobicContact CD1-CE3 4.2Å; L479-W563 HydrophobicContact CD1-CG 4.4Å; L479-W563 HydrophobicContact CD1-CZ2 4.36Å; L479-W563 HydrophobicContact CD1-CZ3 4.49Å; L479-W563 HydrophobicContact CD2-CD2 4.43Å; L479-W563 HydrophobicContact CD2-CG 4.36Å; L479-W563 HydrophobicContact CG-CD2 4.49Å; L479-W563 HydrophobicContact CG-CZ2 4.3Å
480	T	97.2	Very high	93.1	Very high	39 Å²	39	66.1 Å²	66.1	24%	0.239	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	110.8	175.5	-57.2	0	0	0	0	109.1	M488 K489 D490 Y553	T480-M488 HydrophobicContact CG2-CB 3.67Å; T480-M488 HydrophobicContact CG2-CG 4.39Å; T480-M488 HydrophobicContact CG2-SD 4.24Å; T480-K489 CarbonylContact C-O 3.55Å; T480-D490 WeakPolarHBondContact CB-OD1 3.37Å; T480-D490 PolarHBondContact OG1-OD1 3.02Å; T480-Y553 PolarHBondContact N-O 3.14Å; T480-Y553 PolarHBondContact O-N 3.01Å
481	W	96.3	Very high	93.5	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	121.9	178.3	-179.7	-6.9	0	0	0	109.8	M488 K489 V491 F502 A513 L515 D516 K517 Y550 L552	W481-M488 WeakPolarHBondContact O-CA 3.41Å; W481-K489 PolarHBondContact N-O 2.8Å; W481-K489 PolarHBondContact O-N 2.77Å; W481-V491 HydrophobicContact CB-CG2 3.88Å; W481-V491 HydrophobicContact CE3-CG1 4.3Å; W481-V491 HydrophobicContact CE3-CG2 4.36Å; W481-F502 HydrophobicContact CE3-CB 4.33Å; W481-F502 AromaticContact CE3-CD1 3.87Å; W481-F502 HydrophobicContact CE3-CD1 3.87Å; W481-F502 HydrophobicContact CE3-CE1 4.44Å; W481-F502 HydrophobicContact CE3-CG 4.11Å; W481-F502 HydrophobicContact CZ3-CB 3.9Å; W481-F502 HydrophobicContact CZ3-CD1 4.08Å; W481-F502 HydrophobicContact CZ3-CD2 4.32Å; W481-F502 AromaticContact CZ3-CG 3.83Å; W481-F502 HydrophobicContact CZ3-CG 3.83Å; W481-A513 HydrophobicContact CZ3-CB 4.24Å; W481-L515 HydrophobicContact CD2-CD1 3.78Å; W481-L515 HydrophobicContact CE3-CD1 3.59Å; W481-L515 HydrophobicContact CG-CD1 4.41Å; W481-L515 HydrophobicContact CH2-CB 4.03Å; W481-L515 HydrophobicContact CH2-CD1 4.06Å; W481-L515 HydrophobicContact CZ2-CB 4.14Å; W481-L515 HydrophobicContact CZ2-CD1 4.23Å; W481-L515 HydrophobicContact CZ3-CB 4.49Å; W481-L515 HydrophobicContact CZ3-CD1 3.75Å; W481-D516 WeakPolarHBondContact CZ2-OD1 3.48Å; W481-K517 HydrophobicContact CH2-CB 4.22Å; W481-K517 HydrophobicContact CZ2-CB 3.92Å; W481-K517 HydrophobicContact CZ2-CG 4.4Å; W481-Y550 AromaticContact CE2-CD1 3.94Å; W481-Y550 AromaticContact CH2-CD1 3.85Å; W481-Y550 HydrophobicContact CH2-CD1 3.85Å; W481-Y550 AromaticContact CH2-CE1 3.67Å; W481-Y550 HydrophobicContact CH2-CE1 3.67Å; W481-Y550 AromaticContact CZ2-CD1 3.64Å; W481-Y550 HydrophobicContact CZ2-CD1 3.64Å; W481-Y550 AromaticContact CZ2-CE1 3.78Å; W481-Y550 HydrophobicContact CZ2-CE1 3.78Å; W481-Y550 HydrophobicContact CZ3-CD1 4.33Å; W481-Y550 HydrophobicContact CZ3-CE1 4.34Å; W481-L552 HydrophobicContact CB-CD2 3.58Å; W481-L552 HydrophobicContact CD2-CD2 4.24Å; W481-L552 HydrophobicContact CG-CD2 3.7Å
482	K	94.5	Very high	93.8	Very high	80 Å²	80	63.9 Å²	63.9	35%	0.348	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	108.1	171.3	-177.9	-159.4	179.6	-169.2	0	110.2	M488 E551 Y553	K482-M488 HydrophobicContact CB-CE 4.48Å; K482-M488 HydrophobicContact CB-CG 4Å; K482-M488 HydrophobicContact CD-CE 4.44Å; K482-M488 HydrophobicContact CG-CE 4.25Å; K482-M488 HydrophobicContact CG-CG 4.14Å; K482-E551 HydrophobicContact CB-CB 4.35Å; K482-E551 HydrophobicContact CD-CB 4.37Å; K482-E551 HydrophobicContact CD-CG 4.1Å; K482-E551 WeakPolarHBondContact CD-OE1 3.43Å; K482-E551 WeakPolarHBondContact CD-OE2 3.44Å; K482-E551 WeakPolarHBondContact CE-OE1 3.39Å; K482-E551 PolarHBondContact N-O 2.76Å; K482-E551 IonicContact NZ-OE1 3.89Å; K482-E551 PolarHBondContact NZ-OE1 2.9Å; K482-E551 IonicContact NZ-OE2 2.67Å; K482-E551 PolarHBondContact NZ-OE2 2.82Å; K482-Y553 HydrophobicContact CB-CE2 4.16Å; K482-Y553 HydrophobicContact CD-CE2 4.25Å
483	V	90.8	Very high	93.9	Very high	14 Å²	14	58.8 Å²	58.8	9%	0.085	32%	0.318	C	S	.	.			trans	-82.1	141.4	177.5	172.8	0	0	0	0	109.7	G485 S486 L515 D516	V483-G485 PolarHBondContact O-N 2.93Å; V483-S486 PolarHBondContact O-N 3.31Å; V483-L515 HydrophobicContact CG2-CB 4.37Å; V483-L515 HydrophobicContact CG2-CD1 3.98Å; V483-L515 HydrophobicContact CG2-CD2 4.04Å; V483-L515 HydrophobicContact CG2-CG 4.37Å; V483-D516 HydrophobicContact CG1-CB 4.06Å
484	Q	84.9	Confident	94	Very high	150 Å²	150	58.6 Å²	58.6	70%	0.701	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	134.6	178	-69.5	-176.8	-6.7	0	0	111.2	S486	Q484-S486 PolarHBondContact O-N 3.44Å; Q484-S486 VanDerWaalsContact O-N 3.14Å
485	G	81	Confident	94.1	Very high	98 Å²	98	56 Å²	56	100%	1.01	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	11.2	-179	0	0	0	0	0	115.6	V483	V483-G485 PolarHBondContact O-N 2.93Å
486	S	84.6	Confident	94.1	Very high	71 Å²	71	53.6 Å²	53.6	50%	0.497	29%	0.292	S	S	.	.	S	Bend	trans	-138.6	171.9	-174.9	-155.4	0	0	0	0	113	V483 Q484	V483-S486 PolarHBondContact O-N 3.31Å; Q484-S486 PolarHBondContact O-N 3.44Å; Q484-S486 VanDerWaalsContact O-N 3.14Å
487	R	87.3	Confident	94	Very high	215 Å²	215	52.8 Å²	52.8	81%	0.811	29%	0.291	S	S	*	.			trans	-68.6	144.2	174.8	-170	179.1	174.3	158.3	1.6	110
488	M	92.6	Very high	93.9	Very high	89 Å²	89	51.9 Å²	51.9	44%	0.438	28%	0.283	S	S	.	.			trans	-54.1	140.6	167.6	-61.9	179.2	-177.5	0	0	111.3	T480 W481 K482 Y553	T480-M488 HydrophobicContact CG2-CB 3.67Å; T480-M488 HydrophobicContact CG2-CG 4.39Å; T480-M488 HydrophobicContact CG2-SD 4.24Å; W481-M488 WeakPolarHBondContact O-CA 3.41Å; K482-M488 HydrophobicContact CB-CE 4.48Å; K482-M488 HydrophobicContact CB-CG 4Å; K482-M488 HydrophobicContact CD-CE 4.44Å; K482-M488 HydrophobicContact CG-CE 4.25Å; K482-M488 HydrophobicContact CG-CG 4.14Å; M488-Y553 HydrophobicContact CE-CE2 4.15Å
489	K	94.3	Very high	93.8	Very high	88 Å²	88	47.8 Å²	47.8	38%	0.383	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	139.1	-179.6	-68.7	172.6	-179.1	-180	0	110.4	T480 W481 L515	T480-K489 CarbonylContact C-O 3.55Å; W481-K489 PolarHBondContact N-O 2.8Å; W481-K489 PolarHBondContact O-N 2.77Å; K489-L515 HydrophobicContact CD-CD2 3.48Å; K489-L515 VanDerWaalsContact CD-CD2 3.48Å; K489-L515 VanDerWaalsContact NZ-CD2 3.27Å
490	D	95.6	Very high	93.8	Very high	106 Å²	106	47.7 Å²	47.7	57%	0.567	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.1	136.4	174.5	-59	-37.7	0	0	0	110.3	T478 T480	T478-D490 HydrophobicContact CG2-CB 4.08Å; T480-D490 WeakPolarHBondContact CB-OD1 3.37Å; T480-D490 PolarHBondContact OG1-OD1 3.02Å
491	V	96.9	Very high	93.8	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	136	-179.7	-72.7	0	0	0	0	109.5	T478 L479 W481 V493 F502 L503 Q504 A513 L515	T478-V491 WeakPolarHBondContact CA-O 3.48Å; L479-V491 PolarHBondContact N-O 3.21Å; L479-V491 VanDerWaalsContact O-CG2 3.23Å; L479-V491 WeakPolarHBondContact O-CG2 3.43Å; L479-V491 PolarHBondContact O-N 3.43Å; W481-V491 HydrophobicContact CB-CG2 3.88Å; W481-V491 HydrophobicContact CE3-CG1 4.3Å; W481-V491 HydrophobicContact CE3-CG2 4.36Å; V491-V493 HydrophobicContact CG2-CG2 3.93Å; V491-F502 HydrophobicContact CG2-CD1 4.09Å; V491-L503 CarbonylContact C-O 3.5Å; V491-L503 VanDerWaalsContact CA-O 3.31Å; V491-L503 WeakPolarHBondContact CA-O 3.2Å; V491-L503 WeakPolarHBondContact CB-O 3.46Å; V491-Q504 HydrophobicContact CG1-CG 4.02Å; V491-A513 HydrophobicContact CG1-CB 4.13Å; V491-L515 HydrophobicContact CG1-CD1 4.32Å
492	Q	97.6	Very high	93.9	Very high	19 Å²	19	45.9 Å²	45.9	9%	0.089	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	120.8	169.3	-179	65.8	7.5	0	0	107.9	E476 G477 T478 L503 F510	E476-Q492 PolarHBondContact OE1-NE2 3.45Å; G477-Q492 PolarHBondContact O-OE1 2.9Å; T478-Q492 PolarHBondContact OG1-OE1 2.67Å; Q492-L503 HydrophobicContact CB-CB 4.37Å; Q492-L503 PolarHBondContact N-O 3.27Å; Q492-L503 PolarHBondContact O-N 2.83Å; Q492-F510 HydrophobicContact CB-CE1 3.96Å; Q492-F510 HydrophobicContact CG-CE1 4.11Å; Q492-F510 HydrophobicContact CG-CZ 4.25Å
493	V	98.2	Very high	94	Very high	1 Å²	1	42 Å²	42	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	132.3	-175.5	-174.2	0	0	0	0	109.5	E476 G477 L479 V491 L500 V501 F502 W563	E476-V493 VanDerWaalsContact CA-O 3.27Å; E476-V493 WeakPolarHBondContact CA-O 3.34Å; G477-V493 PolarHBondContact N-O 3.25Å; G477-V493 VanDerWaalsContact N-O 3.17Å; G477-V493 PolarHBondContact O-N 2.73Å; L479-V493 HydrophobicContact CB-CG2 3.97Å; L479-V493 HydrophobicContact CD1-CB 4.32Å; L479-V493 HydrophobicContact CD1-CG2 3.98Å; L479-V493 HydrophobicContact CG-CG2 4.13Å; V491-V493 HydrophobicContact CG2-CG2 3.93Å; V493-L500 HydrophobicContact CG1-CD2 3.64Å; V493-V501 WeakPolarHBondContact CA-O 3.46Å; V493-F502 HydrophobicContact CG1-CD1 4.27Å; V493-F502 HydrophobicContact CG1-CE1 3.98Å; V493-F502 HydrophobicContact CG1-CZ 4.45Å; V493-F502 HydrophobicContact CG2-CD1 3.61Å; V493-F502 HydrophobicContact CG2-CE1 3.74Å; V493-W563 HydrophobicContact CB-CH2 3.83Å; V493-W563 HydrophobicContact CB-CZ3 4.25Å; V493-W563 HydrophobicContact CG1-CH2 3.96Å; V493-W563 HydrophobicContact CG1-CZ3 3.87Å
494	L	98.4	Very high	94.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	116.5	172.7	-47.6	177.6	0	0	0	108.3	V445 L468 L473 E476 M496 L500 V501 L503	V445-L494 HydrophobicContact CG1-CD1 3.95Å; V445-L494 HydrophobicContact CG1-CD2 4.42Å; L468-L494 HydrophobicContact CD2-CD1 4.47Å; L473-L494 HydrophobicContact CD1-CB 3.93Å; L473-L494 HydrophobicContact CD1-CD2 4.22Å; E476-L494 HydrophobicContact CB-CD2 3.87Å; L494-M496 HydrophobicContact CB-CE 3.96Å; L494-M496 HydrophobicContact CD1-CE 3.63Å; L494-M496 HydrophobicContact CG-CE 4.47Å; L494-L500 CarbonylContact O-C 3.49Å; L494-L500 WeakPolarHBondContact O-CA 3.47Å; L494-V501 HydrophobicContact CB-CB 4.24Å; L494-V501 HydrophobicContact CD1-CB 4.43Å; L494-V501 PolarHBondContact N-O 3.14Å; L494-V501 PolarHBondContact O-N 3.19Å; L494-L503 HydrophobicContact CD1-CD1 3.92Å; L494-L503 HydrophobicContact CG-CD1 4.35Å
495	L	98.4	Very high	94.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	118.4	165.5	175.2	64.7	0	0	0	108.6	L474 H475 L500 L523 W563 C566 I567 A570	L474-L495 HydrophobicContact CB-CD2 4.47Å; L474-L495 HydrophobicContact CB-CG 4.31Å; L474-L495 PolarHBondContact N-O 3.42Å; H475-L495 HydrophobicContact CB-CB 4.16Å; H475-L495 HydrophobicContact CB-CD2 4.23Å; H475-L495 PolarHBondContact N-O 3.14Å; H475-L495 PolarHBondContact O-N 2.92Å; L495-L500 HydrophobicContact CB-CD2 3.88Å; L495-L500 HydrophobicContact CD1-CD2 3.85Å; L495-L500 HydrophobicContact CD1-CG 3.93Å; L495-L500 HydrophobicContact CG-CD2 4.47Å; L495-L523 HydrophobicContact CD1-CD1 3.87Å; L495-L523 HydrophobicContact CD1-CD2 3.86Å; L495-L523 HydrophobicContact CD1-CG 4.45Å; L495-W563 HydrophobicContact CB-CZ3 4.19Å; L495-C566 VanDerWaalsContact CD2-C 3.5Å; L495-C566 HydrophobicContact CD2-CB 3.68Å; L495-I567 HydrophobicContact CD1-CG1 4.16Å; L495-I567 HydrophobicContact CD2-CG1 4.06Å; L495-A570 HydrophobicContact CD1-CB 3.99Å; L495-A570 HydrophobicContact CD2-CB 4.18Å; L495-A570 HydrophobicContact CG-CB 4.31Å
496	M	97.4	Very high	95.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	177.9	177.4	-56.9	-167.3	173.9	0	0	111.2	L442 L468 R471 K472 L494 D498 I499 V501 L523	L442-M496 HydrophobicContact CD1-CE 3.56Å; L468-M496 HydrophobicContact CB-CE 4.23Å; L468-M496 HydrophobicContact CD2-CE 3.61Å; L468-M496 HydrophobicContact CD2-SD 4.47Å; L468-M496 HydrophobicContact CG-CE 4.49Å; R471-M496 HydrophobicContact CB-CB 4.27Å; R471-M496 HydrophobicContact CB-SD 3.78Å; R471-M496 HydrophobicContact CG-SD 4.35Å; K472-M496 CarbonylContact O-C 3.54Å; K472-M496 VanDerWaalsContact O-CA 3.22Å; K472-M496 WeakPolarHBondContact O-CA 3.45Å; L494-M496 HydrophobicContact CB-CE 3.96Å; L494-M496 HydrophobicContact CD1-CE 3.63Å; L494-M496 HydrophobicContact CG-CE 4.47Å; M496-D498 PolarHBondContact O-N 3.16Å; M496-I499 HydrophobicContact CB-CG1 3.94Å; M496-I499 HydrophobicContact CG-CG1 4.25Å; M496-I499 PolarHBondContact N-O 3.04Å; M496-I499 HydrophobicContact SD-CD1 4.12Å; M496-I499 HydrophobicContact SD-CG1 4.12Å; M496-V501 HydrophobicContact CE-CG2 4.33Å; M496-V501 HydrophobicContact SD-CG2 4.42Å; M496-L523 WeakPolarHBondContact O-CD1 3.3Å
497	S	95.8	Very high	95.5	Very high	31 Å²	31	45.7 Å²	45.7	22%	0.217	21%	0.213	C	C	.	.	S	Bend	trans	-54.4	-29.3	176.5	42	0	0	0	0	115.2	K472	K472-S497 PolarHBondContact N-OG 3.34Å; K472-S497 PolarHBondContact O-N 3.42Å
498	D	95.1	Very high	95.7	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	-136	-12.1	-173.8	73.8	-51.7	0	0	0	114.5	R471 M496 L523 P575 R577 F580	R471-D498 WeakPolarHBondContact CD-OD1 3.24Å; R471-D498 WeakPolarHBondContact CG-OD1 3.32Å; R471-D498 IonicContact CZ-OD1 2.6Å; R471-D498 IonicContact CZ-OD2 2.81Å; R471-D498 IonicContact NE-OD1 3.32Å; R471-D498 PolarHBondContact NE-OD1 3.4Å; R471-D498 IonicContact NE-OD2 2.73Å; R471-D498 PolarHBondContact NE-OD2 3.29Å; R471-D498 IonicContact NH2-OD2 3.14Å; R471-D498 PolarHBondContact NH2-OD2 3.23Å; M496-D498 PolarHBondContact O-N 3.16Å; D498-L523 PolarHBondContact O-N 3.48Å; D498-P575 HydrophobicContact CB-CG 3.91Å; D498-R577 PolarHBondContact O-NH2 3.33Å; D498-R577 IonicContact OD2-CZ 3.09Å; D498-R577 IonicContact OD2-NH1 3.73Å; D498-R577 PolarHBondContact OD2-NH1 3.22Å; D498-R577 IonicContact OD2-NH2 2.57Å; D498-F580 HydrophobicContact CB-CD1 4.16Å; D498-F580 HydrophobicContact CB-CE1 4.44Å; D498-F580 WeakPolarHBondContact OD2-CD1 3.45Å; D498-F580 WeakPolarHBondContact OD2-CE1 3.43Å
499	I	95.8	Very high	95.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	159.5	-175.9	57.9	176.1	0	0	0	112.9	F463 M496 V501 V520 V521 L582	F463-I499 HydrophobicContact CE2-CD1 3.66Å; F463-I499 HydrophobicContact CZ-CD1 3.48Å; F463-I499 VanDerWaalsContact CZ-CD1 3.48Å; M496-I499 HydrophobicContact CB-CG1 3.94Å; M496-I499 HydrophobicContact CG-CG1 4.25Å; M496-I499 PolarHBondContact N-O 3.04Å; M496-I499 HydrophobicContact SD-CD1 4.12Å; M496-I499 HydrophobicContact SD-CG1 4.12Å; I499-V501 HydrophobicContact CD1-CG2 3.51Å; I499-V501 HydrophobicContact CG1-CG2 4.05Å; I499-V520 HydrophobicContact CD1-CG1 4.11Å; I499-V520 HydrophobicContact CG2-CG1 4.37Å; I499-V521 CarbonylContact C-O 3.58Å; I499-V521 VanDerWaalsContact CA-O 3.28Å; I499-V521 WeakPolarHBondContact CA-O 3.3Å; I499-L582 HydrophobicContact CG2-CD2 3.45Å; I499-L582 VanDerWaalsContact CG2-CD2 3.45Å
500	L	97.4	Very high	96	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	136.6	154.5	-80.7	157.3	0	0	0	109.4	V493 L494 L495 F502 V520 V521 L523 L526 L540 W563 I567	V493-L500 HydrophobicContact CG1-CD2 3.64Å; L494-L500 CarbonylContact O-C 3.49Å; L494-L500 WeakPolarHBondContact O-CA 3.47Å; L495-L500 HydrophobicContact CB-CD2 3.88Å; L495-L500 HydrophobicContact CD1-CD2 3.85Å; L495-L500 HydrophobicContact CD1-CG 3.93Å; L495-L500 HydrophobicContact CG-CD2 4.47Å; L500-F502 HydrophobicContact CB-CE2 4.11Å; L500-F502 HydrophobicContact CB-CZ 4.44Å; L500-V520 WeakPolarHBondContact O-CA 3.37Å; L500-V521 HydrophobicContact CB-CB 4.36Å; L500-V521 PolarHBondContact N-O 3.37Å; L500-V521 PolarHBondContact O-N 3.39Å; L500-L523 HydrophobicContact CD1-CD2 4.03Å; L500-L523 HydrophobicContact CG-CD2 4.03Å; L500-L526 HydrophobicContact CD1-CD2 3.74Å; L500-L540 HydrophobicContact CD1-CD1 3.62Å; L500-W563 HydrophobicContact CD2-CZ3 4.39Å; L500-I567 HydrophobicContact CD1-CD1 4.17Å; L500-I567 HydrophobicContact CD1-CG1 4.28Å; L500-I567 HydrophobicContact CD1-CG2 4.18Å; L500-I567 HydrophobicContact CD2-CG1 4.41Å
501	V	97.6	Very high	96.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	129	173.6	-176.3	0	0	0	0	109.4	F463 L468 V493 L494 M496 I499 L503 F512 P519 V520	F463-V501 HydrophobicContact CE1-CG2 4.47Å; F463-V501 HydrophobicContact CZ-CG2 4.4Å; L468-V501 HydrophobicContact CD2-CG1 4.38Å; L468-V501 HydrophobicContact CD2-CG2 4.15Å; V493-V501 WeakPolarHBondContact CA-O 3.46Å; L494-V501 HydrophobicContact CB-CB 4.24Å; L494-V501 HydrophobicContact CD1-CB 4.43Å; L494-V501 PolarHBondContact N-O 3.14Å; L494-V501 PolarHBondContact O-N 3.19Å; M496-V501 HydrophobicContact CE-CG2 4.33Å; M496-V501 HydrophobicContact SD-CG2 4.42Å; I499-V501 HydrophobicContact CD1-CG2 3.51Å; I499-V501 HydrophobicContact CG1-CG2 4.05Å; V501-L503 HydrophobicContact CG1-CD2 3.84Å; V501-L503 HydrophobicContact CG1-CG 4.15Å; V501-F512 HydrophobicContact CG1-CD1 3.92Å; V501-F512 HydrophobicContact CG1-CE1 3.75Å; V501-P519 WeakPolarHBondContact CA-O 3.39Å; V501-V520 HydrophobicContact CG1-CG2 4.48Å
502	F	97.5	Very high	96	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	117	176.9	-62.6	-87.7	0	0	0	110	W481 V491 V493 L500 A513 P519 V521 L540 Y550 L552	W481-F502 HydrophobicContact CE3-CB 4.33Å; W481-F502 AromaticContact CE3-CD1 3.87Å; W481-F502 HydrophobicContact CE3-CD1 3.87Å; W481-F502 HydrophobicContact CE3-CE1 4.44Å; W481-F502 HydrophobicContact CE3-CG 4.11Å; W481-F502 HydrophobicContact CZ3-CB 3.9Å; W481-F502 HydrophobicContact CZ3-CD1 4.08Å; W481-F502 HydrophobicContact CZ3-CD2 4.32Å; W481-F502 AromaticContact CZ3-CG 3.83Å; W481-F502 HydrophobicContact CZ3-CG 3.83Å; V491-F502 HydrophobicContact CG2-CD1 4.09Å; V493-F502 HydrophobicContact CG1-CD1 4.27Å; V493-F502 HydrophobicContact CG1-CE1 3.98Å; V493-F502 HydrophobicContact CG1-CZ 4.45Å; V493-F502 HydrophobicContact CG2-CD1 3.61Å; V493-F502 HydrophobicContact CG2-CE1 3.74Å; L500-F502 HydrophobicContact CB-CE2 4.11Å; L500-F502 HydrophobicContact CB-CZ 4.44Å; F502-A513 HydrophobicContact CB-CB 3.91Å; F502-A513 WeakPolarHBondContact O-CB 3.16Å; F502-A513 PolarHBondContact O-N 2.85Å; F502-P519 HydrophobicContact CB-CB 4.18Å; F502-P519 PolarHBondContact N-O 2.85Å; F502-V521 HydrophobicContact CD2-CG2 4.35Å; F502-V521 HydrophobicContact CE2-CB 4.42Å; F502-V521 HydrophobicContact CE2-CG2 3.81Å; F502-L540 HydrophobicContact CZ-CD1 4.22Å; F502-Y550 HydrophobicContact CE2-CD1 4.44Å; F502-Y550 HydrophobicContact CE2-CE1 4.43Å; F502-L552 HydrophobicContact CE1-CD1 3.74Å; F502-L552 HydrophobicContact CE1-CD2 4.02Å; F502-L552 HydrophobicContact CZ-CD1 3.96Å
503	L	97.5	Very high	95.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	147.9	178.2	-58.1	179.4	0	0	0	110.7	V445 L449 V491 Q492 L494 V501 F510 T511 F512	V445-L503 HydrophobicContact CG1-CD1 3.63Å; L449-L503 HydrophobicContact CD1-CD2 3.83Å; V491-L503 CarbonylContact C-O 3.5Å; V491-L503 VanDerWaalsContact CA-O 3.31Å; V491-L503 WeakPolarHBondContact CA-O 3.2Å; V491-L503 WeakPolarHBondContact CB-O 3.46Å; Q492-L503 HydrophobicContact CB-CB 4.37Å; Q492-L503 PolarHBondContact N-O 3.27Å; Q492-L503 PolarHBondContact O-N 2.83Å; L494-L503 HydrophobicContact CD1-CD1 3.92Å; L494-L503 HydrophobicContact CG-CD1 4.35Å; V501-L503 HydrophobicContact CG1-CD2 3.84Å; V501-L503 HydrophobicContact CG1-CG 4.15Å; L503-F510 HydrophobicContact CB-CB 4.37Å; L503-F510 HydrophobicContact CB-CD1 4.08Å; L503-F510 HydrophobicContact CB-CG 4.42Å; L503-F510 HydrophobicContact CD1-CB 4.08Å; L503-F510 HydrophobicContact CD1-CD1 4.36Å; L503-F510 HydrophobicContact CD1-CD2 4.37Å; L503-F510 HydrophobicContact CD1-CG 4.04Å; L503-T511 CarbonylContact C-O 3.19Å; L503-T511 VanDerWaalsContact CA-O 3.29Å; L503-T511 WeakPolarHBondContact CA-O 3.39Å; L503-F512 HydrophobicContact CD2-CD1 3.69Å; L503-F512 HydrophobicContact CD2-CE1 4.01Å; L503-F512 HydrophobicContact CD2-CG 4.34Å
504	Q	95.6	Very high	95.2	Very high	40 Å²	40	41.3 Å²	41.3	19%	0.187	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	135.2	166.9	-77.3	168.7	-20.2	0	0	108.8	V491 F510 T511 A513	V491-Q504 HydrophobicContact CG1-CG 4.02Å; Q504-F510 WeakPolarHBondContact O-CA 3.35Å; Q504-T511 PolarHBondContact N-O 3.16Å; Q504-T511 PolarHBondContact O-N 2.93Å; Q504-A513 HydrophobicContact CG-CB 3.88Å
505	E	94.3	Very high	94.5	Very high	109 Å²	109	43.1 Å²	43.1	51%	0.509	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	123.1	171.8	-169.4	166.2	146	0	0	109.6	R448 K509 F510	R448-E505 IonicContact CZ-OE1 3.75Å; R448-E505 IonicContact CZ-OE2 3.43Å; R448-E505 IonicContact NH1-OE1 3.88Å; R448-E505 IonicContact NH1-OE2 2.9Å; R448-E505 PolarHBondContact NH1-OE2 3.06Å; R448-E505 IonicContact NH2-OE1 2.73Å; R448-E505 PolarHBondContact NH2-OE1 3.45Å; R448-E505 IonicContact NH2-OE2 3.11Å; R448-E505 PolarHBondContact NH2-OE2 3.16Å; R448-E505 VanDerWaalsContact NH2-OE2 3.11Å; E505-K509 CarbonylContact C-O 3.58Å; E505-K509 WeakPolarHBondContact CA-O 3.5Å; E505-F510 HydrophobicContact CB-CD1 4Å; E505-F510 HydrophobicContact CB-CE1 3.9Å; E505-F510 HydrophobicContact CG-CD1 4.37Å; E505-F510 HydrophobicContact CG-CE1 4.21Å; E505-F510 WeakPolarHBondContact OE2-CE1 3.24Å
506	K	91.1	Very high	93.8	Very high	136 Å²	136	46.1 Å²	46.1	59%	0.591	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-142	134.3	176	-163.4	-155.2	171.7	-139.5	0	109.1	Q508 K509	K506-Q508 PolarHBondContact O-N 2.97Å; K506-Q508 VanDerWaalsContact O-N 3.14Å; K506-K509 PolarHBondContact N-O 2.93Å; K506-K509 PolarHBondContact O-N 3.27Å; K506-K509 VanDerWaalsContact O-O 3.05Å
507	D	91.1	Very high	93.5	Very high	125 Å²	125	47.5 Å²	47.5	67%	0.668	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	37.9	176.5	-48.6	-37.2	0	0	0	112.4	K509	D507-K509 PolarHBondContact O-N 3.22Å
508	Q	92.6	Very high	93.3	Very high	157 Å²	157	47 Å²	47	73%	0.734	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.7	4.8	-172.8	-54.1	-176.8	26.1	0	0	116.7	R448 K506	R448-Q508 PolarHBondContact NE-O 3.13Å; R448-Q508 VanDerWaalsContact NE-O 3.12Å; R448-Q508 PolarHBondContact NH2-O 3.34Å; K506-Q508 PolarHBondContact O-N 2.97Å; K506-Q508 VanDerWaalsContact O-N 3.14Å
509	K	95.6	Very high	93.2	Very high	97 Å²	97	47.7 Å²	47.7	42%	0.422	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	161.5	171	-70.2	-179.9	170.3	-177.4	0	111.6	R448 D450 E505 K506 D507	R448-K509 CarbonylContact O-C 3.53Å; R448-K509 VanDerWaalsContact O-CA 3.26Å; R448-K509 WeakPolarHBondContact O-CA 3.42Å; R448-K509 WeakPolarHBondContact O-CB 3.22Å; D450-K509 HydrophobicContact CB-CD 4.33Å; D450-K509 WeakPolarHBondContact OD2-CD 3.18Å; D450-K509 IonicContact OD2-NZ 2.77Å; D450-K509 PolarHBondContact OD2-NZ 3.18Å; E505-K509 CarbonylContact C-O 3.58Å; E505-K509 WeakPolarHBondContact CA-O 3.5Å; K506-K509 PolarHBondContact N-O 2.93Å; K506-K509 PolarHBondContact O-N 3.27Å; K506-K509 VanDerWaalsContact O-O 3.05Å; D507-K509 PolarHBondContact O-N 3.22Å
510	F	97.3	Very high	93.2	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.009	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	143.2	165.4	-66	-61.2	0	0	0	111.5	V445 R448 L449 D450 Q492 L503 Q504 E505	V445-F510 HydrophobicContact CB-CE2 4.26Å; V445-F510 HydrophobicContact CG1-CD2 3.86Å; V445-F510 HydrophobicContact CG1-CE2 3.9Å; V445-F510 HydrophobicContact CG2-CE2 4.07Å; R448-F510 HydrophobicContact CB-CD2 3.7Å; R448-F510 HydrophobicContact CB-CE2 4.07Å; R448-F510 PolarHBondContact O-N 3.43Å; L449-F510 CarbonylContact C-O 3.59Å; L449-F510 WeakPolarHBondContact CA-O 3.32Å; L449-F510 HydrophobicContact CD1-CB 3.89Å; D450-F510 PolarHBondContact N-O 3.12Å; Q492-F510 HydrophobicContact CB-CE1 3.96Å; Q492-F510 HydrophobicContact CG-CE1 4.11Å; Q492-F510 HydrophobicContact CG-CZ 4.25Å; L503-F510 HydrophobicContact CB-CB 4.37Å; L503-F510 HydrophobicContact CB-CD1 4.08Å; L503-F510 HydrophobicContact CB-CG 4.42Å; L503-F510 HydrophobicContact CD1-CB 4.08Å; L503-F510 HydrophobicContact CD1-CD1 4.36Å; L503-F510 HydrophobicContact CD1-CD2 4.37Å; L503-F510 HydrophobicContact CD1-CG 4.04Å; Q504-F510 WeakPolarHBondContact O-CA 3.35Å; E505-F510 HydrophobicContact CB-CD1 4Å; E505-F510 HydrophobicContact CB-CE1 3.9Å; E505-F510 HydrophobicContact CG-CD1 4.37Å; E505-F510 HydrophobicContact CG-CE1 4.21Å; E505-F510 WeakPolarHBondContact OE2-CE1 3.24Å
511	T	96.8	Very high	93	Very high	52 Å²	52	48.1 Å²	48.1	32%	0.319	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	156.6	160.8	58.2	0	0	0	0	109	D450 L503 Q504	D450-T511 HydrophobicContact CB-CG2 4.31Å; L503-T511 CarbonylContact C-O 3.19Å; L503-T511 VanDerWaalsContact CA-O 3.29Å; L503-T511 WeakPolarHBondContact CA-O 3.39Å; Q504-T511 PolarHBondContact N-O 3.16Å; Q504-T511 PolarHBondContact O-N 2.93Å
512	F	96.2	Very high	92.8	Very high	12 Å²	12	49.5 Å²	49.5	5%	0.053	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	142.8	166.6	-62.4	-73.8	0	0	0	110.1	L449 A453 A455 F463 V501 L503 S514 P519 V520	L449-F512 HydrophobicContact CD2-CE2 4.05Å; L449-F512 HydrophobicContact CD2-CZ 3.98Å; A453-F512 HydrophobicContact CB-CD2 3.93Å; A453-F512 HydrophobicContact CB-CE2 4.21Å; A453-F512 WeakPolarHBondContact O-CE2 3.39Å; A455-F512 HydrophobicContact CB-CB 4.07Å; A455-F512 HydrophobicContact CB-CD1 4.14Å; A455-F512 HydrophobicContact CB-CD2 4.08Å; A455-F512 HydrophobicContact CB-CG 3.83Å; F463-F512 AromaticContact CD1-CE1 3.77Å; F463-F512 HydrophobicContact CD1-CE1 3.77Å; F463-F512 AromaticContact CD1-CZ 3.65Å; F463-F512 HydrophobicContact CD1-CZ 3.65Å; F463-F512 AromaticContact CE1-CE1 3.9Å; F463-F512 HydrophobicContact CE1-CE1 3.9Å; F463-F512 AromaticContact CE1-CZ 3.98Å; F463-F512 HydrophobicContact CE1-CZ 3.98Å; V501-F512 HydrophobicContact CG1-CD1 3.92Å; V501-F512 HydrophobicContact CG1-CE1 3.75Å; L503-F512 HydrophobicContact CD2-CD1 3.69Å; L503-F512 HydrophobicContact CD2-CE1 4.01Å; L503-F512 HydrophobicContact CD2-CG 4.34Å; F512-S514 PolarHBondContact O-N 2.89Å; F512-P519 HydrophobicContact CB-CB 4.22Å; F512-P519 HydrophobicContact CB-CG 3.85Å; F512-V520 HydrophobicContact CD1-CG2 4.34Å; F512-V520 HydrophobicContact CE1-CG2 4.35Å
513	A	93.8	Very high	92.7	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.257	C	S	.	.			trans	-70.7	98.4	-173.1	0	0	0	0	0	111.6	W481 V491 F502 Q504 L515 P519	W481-A513 HydrophobicContact CZ3-CB 4.24Å; V491-A513 HydrophobicContact CG1-CB 4.13Å; F502-A513 HydrophobicContact CB-CB 3.91Å; F502-A513 WeakPolarHBondContact O-CB 3.16Å; F502-A513 PolarHBondContact O-N 2.85Å; Q504-A513 HydrophobicContact CG-CB 3.88Å; A513-L515 HydrophobicContact CB-CD1 4.19Å; A513-L515 HydrophobicContact CB-CG 4.36Å; A513-L515 PolarHBondContact O-N 2.66Å; A513-L515 VanDerWaalsContact O-N 3.08Å; A513-P519 HydrophobicContact CB-CB 4.15Å
514	S	84.1	Confident	92.5	Very high	107 Å²	107	52 Å²	52	75%	0.748	27%	0.272	S	S	*	.			trans	-79	93.1	177.6	-167.2	0	0	0	0	109.7	F512	F512-S514 PolarHBondContact O-N 2.89Å
515	L	84.6	Confident	92.3	Very high	38 Å²	38	57.1 Å²	57.1	20%	0.199	29%	0.294	C	S	.	.	S	Bend	trans	-134	-152.9	-172.9	-65.6	-178.2	0	0	0	110.7	W481 V483 K489 V491 A513 K517	W481-L515 HydrophobicContact CD2-CD1 3.78Å; W481-L515 HydrophobicContact CE3-CD1 3.59Å; W481-L515 HydrophobicContact CG-CD1 4.41Å; W481-L515 HydrophobicContact CH2-CB 4.03Å; W481-L515 HydrophobicContact CH2-CD1 4.06Å; W481-L515 HydrophobicContact CZ2-CB 4.14Å; W481-L515 HydrophobicContact CZ2-CD1 4.23Å; W481-L515 HydrophobicContact CZ3-CB 4.49Å; W481-L515 HydrophobicContact CZ3-CD1 3.75Å; V483-L515 HydrophobicContact CG2-CB 4.37Å; V483-L515 HydrophobicContact CG2-CD1 3.98Å; V483-L515 HydrophobicContact CG2-CD2 4.04Å; V483-L515 HydrophobicContact CG2-CG 4.37Å; K489-L515 HydrophobicContact CD-CD2 3.48Å; K489-L515 VanDerWaalsContact CD-CD2 3.48Å; K489-L515 VanDerWaalsContact NZ-CD2 3.27Å; V491-L515 HydrophobicContact CG1-CD1 4.32Å; A513-L515 HydrophobicContact CB-CD1 4.19Å; A513-L515 HydrophobicContact CB-CG 4.36Å; A513-L515 PolarHBondContact O-N 2.66Å; A513-L515 VanDerWaalsContact O-N 3.08Å; L515-K517 VanDerWaalsContact C-N 3.34Å
516	D	83.8	Confident	92.3	Very high	62 Å²	62	52.6 Å²	52.6	33%	0.332	27%	0.273	S	S	.	.	S	Bend	trans	-81.7	-6.8	-176.6	62.5	-43.8	0	0	0	114.5	W481 V483	W481-D516 WeakPolarHBondContact CZ2-OD1 3.48Å; V483-D516 HydrophobicContact CG1-CB 4.06Å
517	K	89.8	Confident	92.6	Very high	30 Å²	30	50 Å²	50	13%	0.13	27%	0.265	C	S	.	.	S	Bend	trans	-147.1	164.4	-173.5	-57.4	-171.5	175	81	0	111.5	W481 L515 E548 M549 Y550	W481-K517 HydrophobicContact CH2-CB 4.22Å; W481-K517 HydrophobicContact CZ2-CB 3.92Å; W481-K517 HydrophobicContact CZ2-CG 4.4Å; L515-K517 VanDerWaalsContact C-N 3.34Å; K517-E548 WeakPolarHBondContact CA-OE1 3.41Å; K517-E548 WeakPolarHBondContact CB-OE1 3.32Å; K517-E548 HydrophobicContact CD-CB 4.11Å; K517-E548 HydrophobicContact CD-CG 4.27Å; K517-E548 HydrophobicContact CG-CG 4.47Å; K517-M549 WeakPolarHBondContact CD-O 3.43Å; K517-M549 WeakPolarHBondContact CE-O 3.46Å; K517-M549 PolarHBondContact NZ-O 3.02Å; K517-M549 VanDerWaalsContact NZ-O 3.07Å; K517-Y550 HydrophobicContact CB-CD1 4.38Å; K517-Y550 HydrophobicContact CB-CE1 3.6Å; K517-Y550 HydrophobicContact CD-CD1 4.3Å; K517-Y550 HydrophobicContact CD-CD2 4.42Å; K517-Y550 HydrophobicContact CD-CE1 4.19Å; K517-Y550 HydrophobicContact CD-CE2 4.29Å; K517-Y550 HydrophobicContact CD-CG 4.41Å; K517-Y550 HydrophobicContact CG-CE1 4.49Å
518	S	91.3	Very high	92.9	Very high	19 Å²	19	44.8 Å²	44.8	13%	0.133	24%	0.237	C	C	.	.			trans	-60.8	132.8	-179.7	-174.8	0	0	0	0	112	E456 V520 E548 Y550	E456-S518 PolarHBondContact O-OG 2.98Å; S518-V520 VanDerWaalsContact C-N 3.26Å; S518-V520 PolarHBondContact O-N 2.91Å; S518-V520 PolarHBondContact OG-O 2.94Å; S518-E548 PolarHBondContact N-OE1 3.11Å; S518-Y550 WeakPolarHBondContact O-CE1 3.35Å; S518-Y550 PolarHBondContact O-OH 3.19Å
519	P	94.3	Very high	93.2	Very high	16 Å²	16	44.3 Å²	44.3	10%	0.104	23%	0.229	C	C	.	.	S	Bend	trans	-82.2	4	177.9	33	-35.4	0	0	0	113.9	A455 V501 F502 F512 A513	A455-P519 HydrophobicContact CB-CG 3.69Å; V501-P519 WeakPolarHBondContact CA-O 3.39Å; F502-P519 HydrophobicContact CB-CB 4.18Å; F502-P519 PolarHBondContact N-O 2.85Å; F512-P519 HydrophobicContact CB-CB 4.22Å; F512-P519 HydrophobicContact CB-CG 3.85Å; A513-P519 HydrophobicContact CB-CB 4.15Å
520	V	94.9	Very high	93.3	Very high	8 Å²	8	45 Å²	45	5%	0.048	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	109.1	175.6	178.6	0	0	0	0	108.9	A455 V457 F463 I499 L500 V501 F512 S518	A455-V520 HydrophobicContact CB-CG2 3.92Å; V457-V520 HydrophobicContact CG1-CB 3.98Å; V457-V520 HydrophobicContact CG1-CG1 4.07Å; F463-V520 HydrophobicContact CB-CG2 4.48Å; F463-V520 HydrophobicContact CD1-CG2 3.83Å; F463-V520 HydrophobicContact CD2-CG1 4.08Å; F463-V520 HydrophobicContact CE1-CG2 4.18Å; F463-V520 HydrophobicContact CE2-CG1 4.11Å; F463-V520 HydrophobicContact CG-CG1 4.37Å; F463-V520 HydrophobicContact CG-CG2 4.06Å; F463-V520 HydrophobicContact CZ-CG1 4.46Å; I499-V520 HydrophobicContact CD1-CG1 4.11Å; I499-V520 HydrophobicContact CG2-CG1 4.37Å; L500-V520 WeakPolarHBondContact O-CA 3.37Å; V501-V520 HydrophobicContact CG1-CG2 4.48Å; F512-V520 HydrophobicContact CD1-CG2 4.34Å; F512-V520 HydrophobicContact CE1-CG2 4.35Å; S518-V520 VanDerWaalsContact C-N 3.26Å; S518-V520 PolarHBondContact O-N 2.91Å; S518-V520 PolarHBondContact OG-O 2.94Å
521	V	94.1	Very high	93.3	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.006	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	121.9	-170.6	-178.9	0	0	0	0	109.9	I499 L500 F502 L526 Y550	I499-V521 CarbonylContact C-O 3.58Å; I499-V521 VanDerWaalsContact CA-O 3.28Å; I499-V521 WeakPolarHBondContact CA-O 3.3Å; L500-V521 HydrophobicContact CB-CB 4.36Å; L500-V521 PolarHBondContact N-O 3.37Å; L500-V521 PolarHBondContact O-N 3.39Å; F502-V521 HydrophobicContact CD2-CG2 4.35Å; F502-V521 HydrophobicContact CE2-CB 4.42Å; F502-V521 HydrophobicContact CE2-CG2 3.81Å; V521-L526 HydrophobicContact CG1-CD1 3.77Å; V521-Y550 HydrophobicContact CG2-CE1 3.95Å; V521-Y550 HydrophobicContact CG2-CE2 3.84Å; V521-Y550 VanDerWaalsContact CG2-CZ 3.43Å; V521-Y550 VanDerWaalsContact CG2-OH 3.25Å; V521-Y550 WeakPolarHBondContact CG2-OH 3.5Å
522	S	93.3	Very high	93.1	Very high	28 Å²	28	46.9 Å²	46.9	20%	0.196	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	138.3	173.6	-173.3	0	0	0	0	111.4	T524 R577	S522-T524 VanDerWaalsContact C-N 3.26Å; S522-T524 WeakPolarHBondContact OG-CB 3.34Å; S522-T524 PolarHBondContact OG-N 2.91Å; S522-T524 PolarHBondContact OG-OG1 3.5Å; S522-R577 PolarHBondContact OG-NE 3.2Å; S522-R577 PolarHBondContact OG-NH2 3.41Å
523	L	95.7	Very high	92.9	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.294	C	S	.	.			trans	-74.8	-16.7	170.2	-61.8	-179	0	0	0	112.9	L495 M496 D498 L500 K525 L526 I567 A570 A571 C574	L495-L523 HydrophobicContact CD1-CD1 3.87Å; L495-L523 HydrophobicContact CD1-CD2 3.86Å; L495-L523 HydrophobicContact CD1-CG 4.45Å; M496-L523 WeakPolarHBondContact O-CD1 3.3Å; D498-L523 PolarHBondContact O-N 3.48Å; L500-L523 HydrophobicContact CD1-CD2 4.03Å; L500-L523 HydrophobicContact CG-CD2 4.03Å; L523-K525 PolarHBondContact O-N 2.94Å; L523-K525 VanDerWaalsContact O-N 3.11Å; L523-L526 HydrophobicContact CD2-CD2 3.69Å; L523-L526 WeakPolarHBondContact O-CB 3.4Å; L523-L526 PolarHBondContact O-N 2.77Å; L523-I567 HydrophobicContact CD2-CG2 4.14Å; L523-A570 HydrophobicContact CD1-CB 3.6Å; L523-A571 HydrophobicContact CB-CB 4.19Å; L523-C574 HydrophobicContact CB-CB 4.15Å
524	T	91.6	Very high	93	Very high	52 Å²	52	58.8 Å²	58.8	32%	0.319	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	115.4	178.4	-45.7	0	0	0	0	110.1	S522 L526 C574 R577	S522-T524 VanDerWaalsContact C-N 3.26Å; S522-T524 WeakPolarHBondContact OG-CB 3.34Å; S522-T524 PolarHBondContact OG-N 2.91Å; S522-T524 PolarHBondContact OG-OG1 3.5Å; T524-L526 PolarHBondContact O-N 2.65Å; T524-C574 PolarHBondContact OG1-SG 3.4Å; T524-R577 PolarHBondContact OG1-NE 3.02Å
525	K	91.7	Very high	93.5	Very high	149 Å²	149	59.1 Å²	59.1	65%	0.648	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	19.4	-174.7	-55.7	161.9	168.2	176	0	115.5	L523 I527 D543	L523-K525 PolarHBondContact O-N 2.94Å; L523-K525 VanDerWaalsContact O-N 3.11Å; K525-I527 PolarHBondContact O-N 2.96Å; K525-D543 HydrophobicContact CB-CB 4.04Å; K525-D543 HydrophobicContact CD-CB 4.03Å; K525-D543 WeakPolarHBondContact CD-OD2 3.19Å; K525-D543 WeakPolarHBondContact CE-OD2 3.34Å; K525-D543 IonicContact NZ-OD2 2.67Å; K525-D543 PolarHBondContact NZ-OD2 3.21Å
526	L	95.9	Very high	94.1	Very high	13 Å²	13	62.1 Å²	62.1	7%	0.068	32%	0.316	C	S	.	.			trans	-65.4	121	179.5	-174.2	70.5	0	0	0	111.1	L500 V521 L523 T524 L540 I567	L500-L526 HydrophobicContact CD1-CD2 3.74Å; V521-L526 HydrophobicContact CG1-CD1 3.77Å; L523-L526 HydrophobicContact CD2-CD2 3.69Å; L523-L526 WeakPolarHBondContact O-CB 3.4Å; L523-L526 PolarHBondContact O-N 2.77Å; T524-L526 PolarHBondContact O-N 2.65Å; L526-L540 HydrophobicContact CD1-CB 4.29Å; L526-I567 HydrophobicContact CD2-CG2 3.74Å
527	I	96.8	Very high	94.8	Very high	82 Å²	82	59.2 Å²	59.2	42%	0.421	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	125.2	178.9	-62.6	171.6	0	0	0	109.3	K525 R529 L540 I541	K525-I527 PolarHBondContact O-N 2.96Å; I527-R529 HydrophobicContact CG2-CG 4.03Å; I527-L540 CarbonylContact O-C 3.58Å; I527-L540 WeakPolarHBondContact O-CA 3.43Å; I527-I541 HydrophobicContact CB-CB 4.26Å; I527-I541 HydrophobicContact CG2-CD1 4.5Å; I527-I541 PolarHBondContact N-O 2.79Å; I527-I541 PolarHBondContact O-N 3.26Å
528	V	97.8	Very high	95.2	Very high	16 Å²	16	57.8 Å²	57.8	10%	0.097	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	126.1	179.5	-171.3	0	0	0	0	109.4	Y539 L540 M564 I567 Q568	V528-Y539 WeakPolarHBondContact CA-O 3.45Å; V528-L540 HydrophobicContact CB-CD2 4.35Å; V528-L540 HydrophobicContact CG1-CD2 3.88Å; V528-L540 HydrophobicContact CG2-CD2 4Å; V528-M564 HydrophobicContact CG1-CB 4.06Å; V528-M564 HydrophobicContact CG1-CE 4.09Å; V528-M564 HydrophobicContact CG1-CG 3.74Å; V528-I567 HydrophobicContact CG2-CB 4.27Å; V528-I567 HydrophobicContact CG2-CG2 3.6Å; V528-Q568 HydrophobicContact CB-CG 4.13Å; V528-Q568 HydrophobicContact CG2-CG 4.15Å
529	R	97.5	Very high	95.5	Very high	147 Å²	147	59.7 Å²	59.7	56%	0.555	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.7	157.7	-178.9	-65.1	-177.7	-179.9	-170.2	0	112	I527 M538 Y539	I527-R529 HydrophobicContact CG2-CG 4.03Å; R529-M538 CarbonylContact O-C 3.56Å; R529-M538 VanDerWaalsContact O-CA 3.27Å; R529-M538 WeakPolarHBondContact O-CA 3.22Å; R529-M538 WeakPolarHBondContact O-CB 3.38Å; R529-Y539 PolarHBondContact N-O 3.23Å; R529-Y539 PolarHBondContact O-N 3Å
530	E	97.8	Very high	95.6	Very high	112 Å²	112	59 Å²	59	52%	0.523	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	149.8	168.7	-59.1	-157.4	177.6	0	0	111.3	R560 M564	E530-R560 VanDerWaalsContact CD-NH1 3.31Å; E530-R560 IonicContact OE1-CZ 3.87Å; E530-R560 IonicContact OE1-NH1 3.15Å; E530-R560 IonicContact OE1-NH2 2.78Å; E530-R560 PolarHBondContact OE1-NH2 2.93Å; E530-R560 IonicContact OE2-CZ 2.69Å; E530-R560 IonicContact OE2-NH1 2.72Å; E530-R560 PolarHBondContact OE2-NH1 2.88Å; E530-R560 IonicContact OE2-NH2 3.7Å; E530-R560 PolarHBondContact OE2-NH2 3.36Å; E530-M564 HydrophobicContact CG-CE 3.69Å; E530-M564 HydrophobicContact CG-SD 3.93Å
531	V	96.8	Very high	95.7	Very high	12 Å²	12	60 Å²	60	7%	0.073	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-85.4	124	166.3	-175.8	0	0	0	0	108.4	Q534 G537 Y539 E551	V531-Q534 HydrophobicContact CB-CB 3.88Å; V531-Q534 HydrophobicContact CG1-CB 3.66Å; V531-Q534 HydrophobicContact CG1-CG 3.88Å; V531-Q534 PolarHBondContact O-N 2.87Å; V531-G537 PolarHBondContact N-O 3.37Å; V531-Y539 HydrophobicContact CB-CD2 4.42Å; V531-Y539 HydrophobicContact CB-CE2 4.09Å; V531-Y539 HydrophobicContact CG1-CE2 3.99Å; V531-Y539 HydrophobicContact CG2-CD1 4.43Å; V531-Y539 HydrophobicContact CG2-CD2 3.69Å; V531-Y539 HydrophobicContact CG2-CE1 4.35Å; V531-Y539 HydrophobicContact CG2-CE2 3.6Å; V531-Y539 HydrophobicContact CG2-CG 4.11Å; V531-E551 HydrophobicContact CG2-CG 4.23Å
532	A	93.6	Very high	95.7	Very high	81 Å²	81	60.2 Å²	60.2	67%	0.669	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	141	177.3	0	0	0	0	0	111.4	Q534	A532-Q534 PolarHBondContact O-N 3.26Å
533	N	91.9	Very high	95.5	Very high	170 Å²	170	63.5 Å²	63.5	91%	0.909	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	16.5	-178.8	-55.1	-19.3	0	0	0	115.2
534	Q	94.9	Very high	94.9	Very high	91 Å²	91	64.5 Å²	64.5	43%	0.425	32%	0.322	S	S	.	.			trans	-134.6	84.7	-178.6	-71.9	-68.5	-17	0	0	109.8	V531 A532 K536 G537 Y553	V531-Q534 HydrophobicContact CB-CB 3.88Å; V531-Q534 HydrophobicContact CG1-CB 3.66Å; V531-Q534 HydrophobicContact CG1-CG 3.88Å; V531-Q534 PolarHBondContact O-N 2.87Å; A532-Q534 PolarHBondContact O-N 3.26Å; Q534-K536 PolarHBondContact O-N 3.3Å; Q534-G537 PolarHBondContact O-N 3.02Å; Q534-Y553 HydrophobicContact CB-CE1 4.18Å; Q534-Y553 HydrophobicContact CG-CE1 4.34Å
535	E	95.1	Very high	94.5	Very high	114 Å²	114	67 Å²	67	53%	0.533	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-18.4	-170.2	-53.7	-151.5	130	0	0	115.2	K557 R560	E535-K557 HydrophobicContact CB-CB 4.35Å; E535-K557 HydrophobicContact CB-CD 4.18Å; E535-K557 HydrophobicContact CB-CG 4.14Å; E535-K557 WeakPolarHBondContact O-CA 3.14Å; E535-K557 WeakPolarHBondContact OE1-CE 3.42Å; E535-K557 IonicContact OE1-NZ 3.69Å; E535-K557 PolarHBondContact OE1-NZ 2.91Å; E535-K557 WeakPolarHBondContact OE2-CD 3.45Å; E535-K557 IonicContact OE2-NZ 2.8Å; E535-K557 PolarHBondContact OE2-NZ 3.11Å; E535-R560 WeakPolarHBondContact O-CD 3.36Å; E535-R560 VanDerWaalsContact O-CZ 3.24Å; E535-R560 PolarHBondContact O-NE 2.85Å; E535-R560 VanDerWaalsContact O-NE 3.14Å; E535-R560 PolarHBondContact O-NH1 2.74Å
536	K	97.5	Very high	94.3	Very high	102 Å²	102	65.1 Å²	65.1	44%	0.443	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-14.6	176	-58.6	-170.3	-175.6	-163.5	0	113.7	Q534 Y553 A554 S555	Q534-K536 PolarHBondContact O-N 3.3Å; K536-Y553 HydrophobicContact CB-CD1 4.26Å; K536-Y553 WeakPolarHBondContact O-CA 3.27Å; K536-A554 WeakPolarHBondContact CD-O 3.43Å; K536-A554 PolarHBondContact O-N 2.91Å; K536-S555 WeakPolarHBondContact CE-O 3.49Å; K536-S555 PolarHBondContact NZ-O 3.2Å
537	G	97.8	Very high	94.1	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	137.7	-173.8	0	0	0	0	0	113.3	V531 Q534 L552 R560	V531-G537 PolarHBondContact N-O 3.37Å; Q534-G537 PolarHBondContact O-N 3.02Å; G537-L552 CarbonylContact C-O 3.53Å; G537-L552 WeakPolarHBondContact CA-O 3.22Å; G537-R560 WeakPolarHBondContact O-CD 3.44Å; G537-R560 PolarHBondContact O-NH1 2.72Å
538	M	98.2	Very high	93.9	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	147.6	169	64.5	-174.5	-178.2	0	0	110.9	L479 R529 L552 R560 W563 M564 I567	L479-M538 HydrophobicContact CD1-CE 3.56Å; R529-M538 CarbonylContact O-C 3.56Å; R529-M538 VanDerWaalsContact O-CA 3.27Å; R529-M538 WeakPolarHBondContact O-CA 3.22Å; R529-M538 WeakPolarHBondContact O-CB 3.38Å; M538-L552 HydrophobicContact CE-CB 4.06Å; M538-L552 HydrophobicContact CE-CD1 4.03Å; M538-L552 HydrophobicContact CG-CB 4.22Å; M538-L552 PolarHBondContact N-O 3.32Å; M538-L552 PolarHBondContact O-N 3.41Å; M538-R560 HydrophobicContact CB-CG 4.08Å; M538-R560 HydrophobicContact CG-CG 4.4Å; M538-R560 HydrophobicContact SD-CG 4.33Å; M538-W563 HydrophobicContact CE-CB 3.86Å; M538-W563 HydrophobicContact CE-CG 4.28Å; M538-W563 HydrophobicContact SD-CB 3.99Å; M538-M564 HydrophobicContact CB-CG 4.11Å; M538-M564 HydrophobicContact CB-SD 4.03Å; M538-M564 HydrophobicContact SD-CG 3.69Å; M538-I567 HydrophobicContact CE-CD1 4.25Å
539	Y	97.9	Very high	93.7	Very high	60 Å²	60	69.8 Å²	69.8	24%	0.235	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	134.2	169.4	-71.4	-65.5	0	0	0	110.2	V528 R529 V531 M549 Y550 E551	V528-Y539 WeakPolarHBondContact CA-O 3.45Å; R529-Y539 PolarHBondContact N-O 3.23Å; R529-Y539 PolarHBondContact O-N 3Å; V531-Y539 HydrophobicContact CB-CD2 4.42Å; V531-Y539 HydrophobicContact CB-CE2 4.09Å; V531-Y539 HydrophobicContact CG1-CE2 3.99Å; V531-Y539 HydrophobicContact CG2-CD1 4.43Å; V531-Y539 HydrophobicContact CG2-CD2 3.69Å; V531-Y539 HydrophobicContact CG2-CE1 4.35Å; V531-Y539 HydrophobicContact CG2-CE2 3.6Å; V531-Y539 HydrophobicContact CG2-CG 4.11Å; Y539-M549 HydrophobicContact CD1-CG 3.71Å; Y539-M549 HydrophobicContact CD1-SD 3.64Å; Y539-M549 HydrophobicContact CE1-CG 4.25Å; Y539-M549 HydrophobicContact CE1-SD 3.69Å; Y539-M549 HydrophobicContact CG-CG 4.45Å; Y539-M549 HydrophobicContact CG-SD 4.31Å; Y539-Y550 WeakPolarHBondContact CA-O 3.46Å; Y539-E551 HydrophobicContact CD1-CB 3.94Å; Y539-E551 HydrophobicContact CD1-CG 3.93Å; Y539-E551 HydrophobicContact CE1-CB 3.67Å; Y539-E551 HydrophobicContact CE1-CG 3.43Å; Y539-E551 VanDerWaalsContact CE1-CG 3.43Å; Y539-E551 PolarHBondContact OH-OE2 2.92Å
540	L	97.7	Very high	93.6	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.005	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	131.8	161.2	-46.2	-179.1	0	0	0	108.2	L500 F502 L526 I527 V528 M549 Y550 L552 I567	L500-L540 HydrophobicContact CD1-CD1 3.62Å; F502-L540 HydrophobicContact CZ-CD1 4.22Å; L526-L540 HydrophobicContact CD1-CB 4.29Å; I527-L540 CarbonylContact O-C 3.58Å; I527-L540 WeakPolarHBondContact O-CA 3.43Å; V528-L540 HydrophobicContact CB-CD2 4.35Å; V528-L540 HydrophobicContact CG1-CD2 3.88Å; V528-L540 HydrophobicContact CG2-CD2 4Å; L540-M549 CarbonylContact O-C 3.57Å; L540-M549 WeakPolarHBondContact O-CA 3.42Å; L540-Y550 PolarHBondContact N-O 2.74Å; L540-Y550 PolarHBondContact O-N 2.92Å; L540-L552 HydrophobicContact CD1-CD1 3.53Å; L540-L552 HydrophobicContact CG-CD1 3.97Å; L540-I567 HydrophobicContact CD1-CD1 4.45Å; L540-I567 HydrophobicContact CD2-CD1 3.97Å
541	I	96.6	Very high	93.6	Very high	30 Å²	30	58.6 Å²	58.6	15%	0.154	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	114.7	179.1	-50.7	168.4	0	0	0	107.7	I527 P547 E548 M549	I527-I541 HydrophobicContact CB-CB 4.26Å; I527-I541 HydrophobicContact CG2-CD1 4.5Å; I527-I541 PolarHBondContact N-O 2.79Å; I527-I541 PolarHBondContact O-N 3.26Å; I541-P547 HydrophobicContact CG2-CB 4.23Å; I541-E548 WeakPolarHBondContact CA-O 3.35Å; I541-M549 HydrophobicContact CD1-CE 4.06Å; I541-M549 HydrophobicContact CG1-CB 4.5Å; I541-M549 HydrophobicContact CG1-CE 4.25Å; I541-M549 HydrophobicContact CG1-CG 4.18Å
542	S	92.9	Very high	93.6	Very high	5 Å²	5	58.1 Å²	58.1	4%	0.035	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	147.8	-177.4	81.9	0	0	0	0	112.8	K458 S544 P547 E548	K458-S542 PolarHBondContact NZ-OG 3.4Å; S542-S544 PolarHBondContact O-N 2.99Å; S542-P547 WeakPolarHBondContact O-CA 3.3Å; S542-E548 PolarHBondContact N-O 2.79Å
543	D	88.8	Confident	93.8	Very high	97 Å²	97	55.6 Å²	55.6	52%	0.519	30%	0.303	S	S	.	.			trans	-77.1	57.3	-177.1	-165.9	52.6	0	0	0	112.7	K525	K525-D543 HydrophobicContact CB-CB 4.04Å; K525-D543 HydrophobicContact CD-CB 4.03Å; K525-D543 WeakPolarHBondContact CD-OD2 3.19Å; K525-D543 WeakPolarHBondContact CE-OD2 3.34Å; K525-D543 IonicContact NZ-OD2 2.67Å; K525-D543 PolarHBondContact NZ-OD2 3.21Å
544	S	83.8	Confident	94.1	Very high	20 Å²	20	47.8 Å²	47.8	14%	0.14	26%	0.263	C	S	.	.			trans	-92.9	162	165.3	33.9	0	0	0	0	112.4	K458 S542 P546 P547 E548	K458-S544 PolarHBondContact NZ-OG 2.83Å; S542-S544 PolarHBondContact O-N 2.99Å; S544-P546 VanDerWaalsContact C-C 3.44Å; S544-P546 CarbonylContact C-O 3.6Å; S544-P546 WeakPolarHBondContact CB-O 3.46Å; S544-P546 CarbonylContact O-C 3.57Å; S544-P546 PolarHBondContact OG-O 3.19Å; S544-P547 VanDerWaalsContact O-CA 3.31Å; S544-P547 WeakPolarHBondContact O-CA 3.44Å; S544-P547 VanDerWaalsContact O-CD 3.29Å; S544-P547 WeakPolarHBondContact O-CD 3.09Å; S544-P547 WeakPolarHBondContact O-CG 3.38Å; S544-E548 PolarHBondContact OG-N 2.81Å
545	A	84.3	Confident	94.2	Very high	106 Å²	106	47.4 Å²	47.4	88%	0.876	27%	0.27	S	S	*	.	S	Bend	trans	-101.1	110.9	155.4	0	0	0	0	0	108.4
546	P	86.6	Confident	94.4	Very high	109 Å²	109	44.1 Å²	44.1	71%	0.708	26%	0.26	S	S	*	.	S	Bend	cis	-75.8	158.6	-10.1	33.9	-35.6	0	0	0	112.9	S544 E548	S544-P546 VanDerWaalsContact C-C 3.44Å; S544-P546 CarbonylContact C-O 3.6Å; S544-P546 WeakPolarHBondContact CB-O 3.46Å; S544-P546 CarbonylContact O-C 3.57Å; S544-P546 PolarHBondContact OG-O 3.19Å; P546-E548 PolarHBondContact O-N 3.47Å
547	P	91.1	Very high	94.4	Very high	90 Å²	90	43 Å²	43	58%	0.584	26%	0.255	S	S	*	.	P	Polyproline II helix	trans	-65.3	122.9	-179	-25.4	35.5	0	0	0	113	I541 S542 S544	I541-P547 HydrophobicContact CG2-CB 4.23Å; S542-P547 WeakPolarHBondContact O-CA 3.3Å; S544-P547 VanDerWaalsContact O-CA 3.31Å; S544-P547 WeakPolarHBondContact O-CA 3.44Å; S544-P547 VanDerWaalsContact O-CD 3.29Å; S544-P547 WeakPolarHBondContact O-CD 3.09Å; S544-P547 WeakPolarHBondContact O-CG 3.38Å
548	E	92.6	Very high	94.4	Very high	36 Å²	36	47.6 Å²	47.6	17%	0.168	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	121.4	178.7	-80.8	178.1	129.4	0	0	111.2	K458 K517 S518 I541 S542 S544 P546 Y550	K458-E548 WeakPolarHBondContact CE-OE2 3.36Å; K458-E548 IonicContact NZ-OE2 3.9Å; K458-E548 PolarHBondContact NZ-OE2 3.01Å; K517-E548 WeakPolarHBondContact CA-OE1 3.41Å; K517-E548 WeakPolarHBondContact CB-OE1 3.32Å; K517-E548 HydrophobicContact CD-CB 4.11Å; K517-E548 HydrophobicContact CD-CG 4.27Å; K517-E548 HydrophobicContact CG-CG 4.47Å; S518-E548 PolarHBondContact N-OE1 3.11Å; I541-E548 WeakPolarHBondContact CA-O 3.35Å; S542-E548 PolarHBondContact N-O 2.79Å; S544-E548 PolarHBondContact OG-N 2.81Å; P546-E548 PolarHBondContact O-N 3.47Å; E548-Y550 HydrophobicContact CB-CD2 4.44Å; E548-Y550 HydrophobicContact CB-CE2 3.63Å; E548-Y550 PolarHBondContact OE2-OH 3.36Å
549	M	94.6	Very high	94.4	Very high	82 Å²	82	49.3 Å²	49.3	40%	0.404	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	121.2	174.5	-176.1	-176.1	-64.2	0	0	111.9	K517 Y539 L540 I541	K517-M549 WeakPolarHBondContact CD-O 3.43Å; K517-M549 WeakPolarHBondContact CE-O 3.46Å; K517-M549 PolarHBondContact NZ-O 3.02Å; K517-M549 VanDerWaalsContact NZ-O 3.07Å; Y539-M549 HydrophobicContact CD1-CG 3.71Å; Y539-M549 HydrophobicContact CD1-SD 3.64Å; Y539-M549 HydrophobicContact CE1-CG 4.25Å; Y539-M549 HydrophobicContact CE1-SD 3.69Å; Y539-M549 HydrophobicContact CG-CG 4.45Å; Y539-M549 HydrophobicContact CG-SD 4.31Å; L540-M549 CarbonylContact O-C 3.57Å; L540-M549 WeakPolarHBondContact O-CA 3.42Å; I541-M549 HydrophobicContact CD1-CE 4.06Å; I541-M549 HydrophobicContact CG1-CB 4.5Å; I541-M549 HydrophobicContact CG1-CE 4.25Å; I541-M549 HydrophobicContact CG1-CG 4.18Å
550	Y	96.1	Very high	94.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	123.3	177.5	-58.3	-106.4	0	0	0	108.9	W481 F502 K517 S518 V521 Y539 L540 E548	W481-Y550 AromaticContact CE2-CD1 3.94Å; W481-Y550 AromaticContact CH2-CD1 3.85Å; W481-Y550 HydrophobicContact CH2-CD1 3.85Å; W481-Y550 AromaticContact CH2-CE1 3.67Å; W481-Y550 HydrophobicContact CH2-CE1 3.67Å; W481-Y550 AromaticContact CZ2-CD1 3.64Å; W481-Y550 HydrophobicContact CZ2-CD1 3.64Å; W481-Y550 AromaticContact CZ2-CE1 3.78Å; W481-Y550 HydrophobicContact CZ2-CE1 3.78Å; W481-Y550 HydrophobicContact CZ3-CD1 4.33Å; W481-Y550 HydrophobicContact CZ3-CE1 4.34Å; F502-Y550 HydrophobicContact CE2-CD1 4.44Å; F502-Y550 HydrophobicContact CE2-CE1 4.43Å; K517-Y550 HydrophobicContact CB-CD1 4.38Å; K517-Y550 HydrophobicContact CB-CE1 3.6Å; K517-Y550 HydrophobicContact CD-CD1 4.3Å; K517-Y550 HydrophobicContact CD-CD2 4.42Å; K517-Y550 HydrophobicContact CD-CE1 4.19Å; K517-Y550 HydrophobicContact CD-CE2 4.29Å; K517-Y550 HydrophobicContact CD-CG 4.41Å; K517-Y550 HydrophobicContact CG-CE1 4.49Å; S518-Y550 WeakPolarHBondContact O-CE1 3.35Å; S518-Y550 PolarHBondContact O-OH 3.19Å; V521-Y550 HydrophobicContact CG2-CE1 3.95Å; V521-Y550 HydrophobicContact CG2-CE2 3.84Å; V521-Y550 VanDerWaalsContact CG2-CZ 3.43Å; V521-Y550 VanDerWaalsContact CG2-OH 3.25Å; V521-Y550 WeakPolarHBondContact CG2-OH 3.5Å; Y539-Y550 WeakPolarHBondContact CA-O 3.46Å; L540-Y550 PolarHBondContact N-O 2.74Å; L540-Y550 PolarHBondContact O-N 2.92Å; E548-Y550 HydrophobicContact CB-CD2 4.44Å; E548-Y550 HydrophobicContact CB-CE2 3.63Å; E548-Y550 PolarHBondContact OE2-OH 3.36Å
551	E	96.4	Very high	94.4	Very high	25 Å²	25	51.1 Å²	51.1	12%	0.117	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	109	175.9	-165.4	178.2	147.3	0	0	109.3	K482 V531 Y539 Y553	K482-E551 HydrophobicContact CB-CB 4.35Å; K482-E551 HydrophobicContact CD-CB 4.37Å; K482-E551 HydrophobicContact CD-CG 4.1Å; K482-E551 WeakPolarHBondContact CD-OE1 3.43Å; K482-E551 WeakPolarHBondContact CD-OE2 3.44Å; K482-E551 WeakPolarHBondContact CE-OE1 3.39Å; K482-E551 PolarHBondContact N-O 2.76Å; K482-E551 IonicContact NZ-OE1 3.89Å; K482-E551 PolarHBondContact NZ-OE1 2.9Å; K482-E551 IonicContact NZ-OE2 2.67Å; K482-E551 PolarHBondContact NZ-OE2 2.82Å; V531-E551 HydrophobicContact CG2-CG 4.23Å; Y539-E551 HydrophobicContact CD1-CB 3.94Å; Y539-E551 HydrophobicContact CD1-CG 3.93Å; Y539-E551 HydrophobicContact CE1-CB 3.67Å; Y539-E551 HydrophobicContact CE1-CG 3.43Å; Y539-E551 VanDerWaalsContact CE1-CG 3.43Å; Y539-E551 PolarHBondContact OH-OE2 2.92Å; E551-Y553 HydrophobicContact CG-CE2 4.02Å; E551-Y553 PolarHBondContact OE1-OH 3.39Å
552	L	97.7	Very high	94.5	Very high	1 Å²	1	53 Å²	53	1%	0.005	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	138.7	-170.9	-58.5	179.3	0	0	0	110.8	L479 W481 F502 G537 M538 L540	L479-L552 HydrophobicContact CD1-CB 4.48Å; L479-L552 HydrophobicContact CD1-CD1 4.13Å; W481-L552 HydrophobicContact CB-CD2 3.58Å; W481-L552 HydrophobicContact CD2-CD2 4.24Å; W481-L552 HydrophobicContact CG-CD2 3.7Å; F502-L552 HydrophobicContact CE1-CD1 3.74Å; F502-L552 HydrophobicContact CE1-CD2 4.02Å; F502-L552 HydrophobicContact CZ-CD1 3.96Å; G537-L552 CarbonylContact C-O 3.53Å; G537-L552 WeakPolarHBondContact CA-O 3.22Å; M538-L552 HydrophobicContact CE-CB 4.06Å; M538-L552 HydrophobicContact CE-CD1 4.03Å; M538-L552 HydrophobicContact CG-CB 4.22Å; M538-L552 PolarHBondContact N-O 3.32Å; M538-L552 PolarHBondContact O-N 3.41Å; L540-L552 HydrophobicContact CD1-CD1 3.53Å; L540-L552 HydrophobicContact CG-CD1 3.97Å
553	Y	98	Very high	94.7	Very high	28 Å²	28	52.9 Å²	52.9	11%	0.11	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	128.5	178.2	-70.9	-100	0	0	0	110.7	T480 K482 M488 Q534 K536 E551	T480-Y553 PolarHBondContact N-O 3.14Å; T480-Y553 PolarHBondContact O-N 3.01Å; K482-Y553 HydrophobicContact CB-CE2 4.16Å; K482-Y553 HydrophobicContact CD-CE2 4.25Å; M488-Y553 HydrophobicContact CE-CE2 4.15Å; Q534-Y553 HydrophobicContact CB-CE1 4.18Å; Q534-Y553 HydrophobicContact CG-CE1 4.34Å; K536-Y553 HydrophobicContact CB-CD1 4.26Å; K536-Y553 WeakPolarHBondContact O-CA 3.27Å; E551-Y553 HydrophobicContact CG-CE2 4.02Å; E551-Y553 PolarHBondContact OE1-OH 3.39Å
554	A	98.3	Very high	95.2	Very high	7 Å²	7	49.1 Å²	49.1	6%	0.058	29%	0.289	C	S	.	.			trans	-88	169.3	174.4	0	0	0	0	0	111.6	L479 K536 S556 D559 R560	L479-A554 HydrophobicContact CD2-CB 3.88Å; K536-A554 WeakPolarHBondContact CD-O 3.43Å; K536-A554 PolarHBondContact O-N 2.91Å; A554-S556 VanDerWaalsContact C-N 3.25Å; A554-S556 PolarHBondContact O-N 3.34Å; A554-D559 HydrophobicContact CB-CB 4.1Å; A554-R560 HydrophobicContact CB-CB 3.82Å
555	S	97.1	Very high	95.9	Very high	82 Å²	82	51.8 Å²	51.8	57%	0.573	31%	0.307	S	S	*	.	S	Bend	trans	-64.3	-31.4	178.2	69.7	0	0	0	0	112.7	K536 D559	K536-S555 WeakPolarHBondContact CE-O 3.49Å; K536-S555 PolarHBondContact NZ-O 3.2Å; S555-D559 VanDerWaalsContact CB-OD2 3.26Å; S555-D559 WeakPolarHBondContact CB-OD2 3.41Å; S555-D559 PolarHBondContact N-OD2 3.31Å; S555-D559 PolarHBondContact OG-OD2 2.9Å
556	S	97.8	Very high	96.5	Very high	46 Å²	46	48.7 Å²	48.7	32%	0.322	28%	0.279	S	S	.	.	S	Bend	trans	-150.9	171.3	-177.3	71.8	0	0	0	0	112.5	A554 D558 D559 R560	A554-S556 VanDerWaalsContact C-N 3.25Å; A554-S556 PolarHBondContact O-N 3.34Å; S556-D558 VanDerWaalsContact C-N 3.33Å; S556-D558 PolarHBondContact O-N 2.83Å; S556-D559 WeakPolarHBondContact OG-CB 3.42Å; S556-D559 PolarHBondContact OG-N 2.99Å; S556-D559 VanDerWaalsContact OG-N 3.14Å; S556-R560 PolarHBondContact O-N 3.17Å
557	K	97.8	Very high	97.1	Very high	79 Å²	79	43.5 Å²	43.5	34%	0.343	25%	0.245	S	C	.	.	H	α-helix	trans	-62.9	-36.7	176.6	-171.9	-178.5	-161.8	166.3	0	112.8	E535 K561	E535-K557 HydrophobicContact CB-CB 4.35Å; E535-K557 HydrophobicContact CB-CD 4.18Å; E535-K557 HydrophobicContact CB-CG 4.14Å; E535-K557 WeakPolarHBondContact O-CA 3.14Å; E535-K557 WeakPolarHBondContact OE1-CE 3.42Å; E535-K557 IonicContact OE1-NZ 3.69Å; E535-K557 PolarHBondContact OE1-NZ 2.91Å; E535-K557 WeakPolarHBondContact OE2-CD 3.45Å; E535-K557 IonicContact OE2-NZ 2.8Å; E535-K557 PolarHBondContact OE2-NZ 3.11Å; K557-K561 WeakPolarHBondContact O-CG 3.34Å; K557-K561 PolarHBondContact O-N 3.23Å; K557-K561 VanDerWaalsContact O-N 3.09Å
558	D	98.1	Very high	97.4	Very high	95 Å²	95	43.2 Å²	43.2	51%	0.508	24%	0.236	S	C	.	.	H	α-helix	trans	-83.2	-30.8	-178.5	-62.8	-45.5	0	0	0	112.4	S556 K561 T562	S556-D558 VanDerWaalsContact C-N 3.33Å; S556-D558 PolarHBondContact O-N 2.83Å; D558-K561 PolarHBondContact O-N 2.88Å; D558-K561 WeakPolarHBondContact OD1-CD 3.47Å; D558-K561 WeakPolarHBondContact OD1-CE 3.29Å; D558-K561 IonicContact OD1-NZ 2.77Å; D558-K561 PolarHBondContact OD1-NZ 3.43Å; D558-T562 WeakPolarHBondContact O-CB 3.47Å; D558-T562 PolarHBondContact O-N 2.92Å; D558-T562 PolarHBondContact O-OG1 3.34Å
559	D	97.9	Very high	97.6	Very high	37 Å²	37	49 Å²	49	20%	0.198	26%	0.261	C	S	.	.	H	α-helix	trans	-59.2	-49.8	164.8	-177.8	21.7	0	0	0	110.3	A554 S555 S556 K561 T562 W563	A554-D559 HydrophobicContact CB-CB 4.1Å; S555-D559 VanDerWaalsContact CB-OD2 3.26Å; S555-D559 WeakPolarHBondContact CB-OD2 3.41Å; S555-D559 PolarHBondContact N-OD2 3.31Å; S555-D559 PolarHBondContact OG-OD2 2.9Å; S556-D559 WeakPolarHBondContact OG-CB 3.42Å; S556-D559 PolarHBondContact OG-N 2.99Å; S556-D559 VanDerWaalsContact OG-N 3.14Å; D559-K561 PolarHBondContact O-N 3.43Å; D559-T562 WeakPolarHBondContact O-CA 3.31Å; D559-T562 WeakPolarHBondContact O-CB 3.42Å; D559-T562 PolarHBondContact O-N 3.41Å; D559-W563 PolarHBondContact O-N 3.32Å; D559-W563 PolarHBondContact OD1-NE1 3.11Å
560	R	98.2	Very high	97.7	Very high	3 Å²	3	45.2 Å²	45.2	1%	0.011	24%	0.242	C	C	.	.	H	α-helix	trans	-54.3	-47.5	173	-172.8	-159.7	61.3	165.6	5.9	112.5	E530 E535 G537 M538 A554 S556 T562 W563 M564	E530-R560 VanDerWaalsContact CD-NH1 3.31Å; E530-R560 IonicContact OE1-CZ 3.87Å; E530-R560 IonicContact OE1-NH1 3.15Å; E530-R560 IonicContact OE1-NH2 2.78Å; E530-R560 PolarHBondContact OE1-NH2 2.93Å; E530-R560 IonicContact OE2-CZ 2.69Å; E530-R560 IonicContact OE2-NH1 2.72Å; E530-R560 PolarHBondContact OE2-NH1 2.88Å; E530-R560 IonicContact OE2-NH2 3.7Å; E530-R560 PolarHBondContact OE2-NH2 3.36Å; E535-R560 WeakPolarHBondContact O-CD 3.36Å; E535-R560 VanDerWaalsContact O-CZ 3.24Å; E535-R560 PolarHBondContact O-NE 2.85Å; E535-R560 VanDerWaalsContact O-NE 3.14Å; E535-R560 PolarHBondContact O-NH1 2.74Å; G537-R560 WeakPolarHBondContact O-CD 3.44Å; G537-R560 PolarHBondContact O-NH1 2.72Å; M538-R560 HydrophobicContact CB-CG 4.08Å; M538-R560 HydrophobicContact CG-CG 4.4Å; M538-R560 HydrophobicContact SD-CG 4.33Å; A554-R560 HydrophobicContact CB-CB 3.82Å; S556-R560 PolarHBondContact O-N 3.17Å; R560-T562 VanDerWaalsContact C-N 3.28Å; R560-T562 PolarHBondContact O-N 3.36Å; R560-W563 PolarHBondContact O-N 3.23Å; R560-M564 HydrophobicContact CG-CG 4.44Å; R560-M564 HydrophobicContact CG-SD 4.08Å; R560-M564 VanDerWaalsContact O-CG 3.32Å; R560-M564 WeakPolarHBondContact O-CG 3.15Å; R560-M564 PolarHBondContact O-N 3.08Å
561	K	98.1	Very high	97.7	Very high	96 Å²	96	46.5 Å²	46.5	42%	0.417	25%	0.253	S	S	.	.	H	α-helix	trans	-59.1	-40.4	176.1	-71	170.6	-165.3	163.6	0	111.9	K557 D558 D559 M564 S565	K557-K561 WeakPolarHBondContact O-CG 3.34Å; K557-K561 PolarHBondContact O-N 3.23Å; K557-K561 VanDerWaalsContact O-N 3.09Å; D558-K561 PolarHBondContact O-N 2.88Å; D558-K561 WeakPolarHBondContact OD1-CD 3.47Å; D558-K561 WeakPolarHBondContact OD1-CE 3.29Å; D558-K561 IonicContact OD1-NZ 2.77Å; D558-K561 PolarHBondContact OD1-NZ 3.43Å; D559-K561 PolarHBondContact O-N 3.43Å; K561-M564 PolarHBondContact O-N 3.39Å; K561-S565 VanDerWaalsContact O-CB 3.24Å; K561-S565 WeakPolarHBondContact O-CB 3.11Å; K561-S565 PolarHBondContact O-N 2.83Å
562	T	98.3	Very high	97.7	Very high	68 Å²	68	53.3 Å²	53.3	42%	0.417	29%	0.285	S	S	.	.	H	α-helix	trans	-63.2	-49.9	178.8	-56.4	0	0	0	0	110.2	D558 D559 R560 M564 S565 C566	D558-T562 WeakPolarHBondContact O-CB 3.47Å; D558-T562 PolarHBondContact O-N 2.92Å; D558-T562 PolarHBondContact O-OG1 3.34Å; D559-T562 WeakPolarHBondContact O-CA 3.31Å; D559-T562 WeakPolarHBondContact O-CB 3.42Å; D559-T562 PolarHBondContact O-N 3.41Å; R560-T562 VanDerWaalsContact C-N 3.28Å; R560-T562 PolarHBondContact O-N 3.36Å; T562-M564 PolarHBondContact O-N 2.95Å; T562-S565 PolarHBondContact O-N 3.24Å; T562-C566 WeakPolarHBondContact O-CB 3.25Å; T562-C566 PolarHBondContact O-N 2.89Å; T562-C566 PolarHBondContact O-SG 3.3Å
563	W	98.5	Very high	97.5	Very high	3 Å²	3	57 Å²	57	1%	0.011	31%	0.311	C	S	.	.	H	α-helix	trans	-56.4	-51.4	173.3	-83.5	97.2	0	0	0	113	H475 L479 V493 L495 L500 M538 D559 R560 S565 C566 I567	H475-W563 AromaticContact CD2-CD2 3.73Å; H475-W563 AromaticContact CD2-CE2 3.63Å; H475-W563 AromaticContact CD2-CE3 3.85Å; H475-W563 AromaticContact CD2-CH2 3.84Å; H475-W563 AromaticContact CD2-CZ2 3.7Å; H475-W563 AromaticContact CD2-CZ3 3.91Å; H475-W563 AromaticContact NE2-CE2 3.69Å; H475-W563 AromaticContact NE2-CZ2 3.98Å; H475-W563 AromaticContact NE2-NE1 3.8Å; L479-W563 HydrophobicContact CD1-CD2 3.97Å; L479-W563 HydrophobicContact CD1-CE3 4.2Å; L479-W563 HydrophobicContact CD1-CG 4.4Å; L479-W563 HydrophobicContact CD1-CZ2 4.36Å; L479-W563 HydrophobicContact CD1-CZ3 4.49Å; L479-W563 HydrophobicContact CD2-CD2 4.43Å; L479-W563 HydrophobicContact CD2-CG 4.36Å; L479-W563 HydrophobicContact CG-CD2 4.49Å; L479-W563 HydrophobicContact CG-CZ2 4.3Å; V493-W563 HydrophobicContact CB-CH2 3.83Å; V493-W563 HydrophobicContact CB-CZ3 4.25Å; V493-W563 HydrophobicContact CG1-CH2 3.96Å; V493-W563 HydrophobicContact CG1-CZ3 3.87Å; L495-W563 HydrophobicContact CB-CZ3 4.19Å; L500-W563 HydrophobicContact CD2-CZ3 4.39Å; M538-W563 HydrophobicContact CE-CB 3.86Å; M538-W563 HydrophobicContact CE-CG 4.28Å; M538-W563 HydrophobicContact SD-CB 3.99Å; D559-W563 PolarHBondContact O-N 3.32Å; D559-W563 PolarHBondContact OD1-NE1 3.11Å; R560-W563 PolarHBondContact O-N 3.23Å; W563-S565 VanDerWaalsContact C-N 3.34Å; W563-S565 PolarHBondContact O-N 3.44Å; W563-C566 PolarHBondContact O-N 2.99Å; W563-I567 HydrophobicContact CE3-CD1 4.12Å; W563-I567 HydrophobicContact CE3-CG1 4.38Å; W563-I567 WeakPolarHBondContact O-CB 3.28Å; W563-I567 WeakPolarHBondContact O-CD1 3.47Å; W563-I567 WeakPolarHBondContact O-CG1 3.36Å; W563-I567 PolarHBondContact O-N 2.96Å
564	M	98.4	Very high	97.3	Very high	19 Å²	19	57 Å²	57	9%	0.094	31%	0.314	C	S	.	.	H	α-helix	trans	-59	-44.9	-179.8	-69.8	179.5	63.6	0	0	111.9	V528 E530 M538 R560 K561 T562 Q568	V528-M564 HydrophobicContact CG1-CB 4.06Å; V528-M564 HydrophobicContact CG1-CE 4.09Å; V528-M564 HydrophobicContact CG1-CG 3.74Å; E530-M564 HydrophobicContact CG-CE 3.69Å; E530-M564 HydrophobicContact CG-SD 3.93Å; M538-M564 HydrophobicContact CB-CG 4.11Å; M538-M564 HydrophobicContact CB-SD 4.03Å; M538-M564 HydrophobicContact SD-CG 3.69Å; R560-M564 HydrophobicContact CG-CG 4.44Å; R560-M564 HydrophobicContact CG-SD 4.08Å; R560-M564 VanDerWaalsContact O-CG 3.32Å; R560-M564 WeakPolarHBondContact O-CG 3.15Å; R560-M564 PolarHBondContact O-N 3.08Å; K561-M564 PolarHBondContact O-N 3.39Å; T562-M564 PolarHBondContact O-N 2.95Å; M564-Q568 VanDerWaalsContact O-CB 3.29Å; M564-Q568 WeakPolarHBondContact O-CB 3.27Å; M564-Q568 WeakPolarHBondContact O-CG 3.5Å; M564-Q568 PolarHBondContact O-N 2.67Å
565	S	98.1	Very high	97	Very high	75 Å²	75	58.3 Å²	58.3	52%	0.524	32%	0.322	S	S	.	.	H	α-helix	trans	-62.2	-47.2	177	-176.7	0	0	0	0	112.1	K561 T562 W563 Q568 K569	K561-S565 VanDerWaalsContact O-CB 3.24Å; K561-S565 WeakPolarHBondContact O-CB 3.11Å; K561-S565 PolarHBondContact O-N 2.83Å; T562-S565 PolarHBondContact O-N 3.24Å; W563-S565 VanDerWaalsContact C-N 3.34Å; W563-S565 PolarHBondContact O-N 3.44Å; S565-Q568 PolarHBondContact O-N 2.98Å; S565-K569 WeakPolarHBondContact O-CB 3.37Å; S565-K569 PolarHBondContact O-N 3.05Å
566	C	97.8	Very high	96.5	Very high	41 Å²	41	57 Å²	57	28%	0.277	31%	0.313	S	S	.	.	H	α-helix	trans	-61.8	-47.4	177.6	-72.7	0	0	0	0	112	L495 T562 W563 K569 A570	L495-C566 VanDerWaalsContact CD2-C 3.5Å; L495-C566 HydrophobicContact CD2-CB 3.68Å; T562-C566 WeakPolarHBondContact O-CB 3.25Å; T562-C566 PolarHBondContact O-N 2.89Å; T562-C566 PolarHBondContact O-SG 3.3Å; W563-C566 PolarHBondContact O-N 2.99Å; C566-K569 PolarHBondContact O-N 3.06Å; C566-A570 VanDerWaalsContact O-CB 3.31Å; C566-A570 WeakPolarHBondContact O-CB 3.4Å; C566-A570 PolarHBondContact O-N 2.91Å
567	I	98.4	Very high	96	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-64	-44.2	179.1	-62.8	164.2	0	0	0	110.4	L495 L500 L523 L526 V528 M538 L540 W563 A570 A571	L495-I567 HydrophobicContact CD1-CG1 4.16Å; L495-I567 HydrophobicContact CD2-CG1 4.06Å; L500-I567 HydrophobicContact CD1-CD1 4.17Å; L500-I567 HydrophobicContact CD1-CG1 4.28Å; L500-I567 HydrophobicContact CD1-CG2 4.18Å; L500-I567 HydrophobicContact CD2-CG1 4.41Å; L523-I567 HydrophobicContact CD2-CG2 4.14Å; L526-I567 HydrophobicContact CD2-CG2 3.74Å; V528-I567 HydrophobicContact CG2-CB 4.27Å; V528-I567 HydrophobicContact CG2-CG2 3.6Å; M538-I567 HydrophobicContact CE-CD1 4.25Å; L540-I567 HydrophobicContact CD1-CD1 4.45Å; L540-I567 HydrophobicContact CD2-CD1 3.97Å; W563-I567 HydrophobicContact CE3-CD1 4.12Å; W563-I567 HydrophobicContact CE3-CG1 4.38Å; W563-I567 WeakPolarHBondContact O-CB 3.28Å; W563-I567 WeakPolarHBondContact O-CD1 3.47Å; W563-I567 WeakPolarHBondContact O-CG1 3.36Å; W563-I567 PolarHBondContact O-N 2.96Å; I567-A570 PolarHBondContact O-N 3.48Å; I567-A571 WeakPolarHBondContact O-CB 3.32Å; I567-A571 PolarHBondContact O-N 3.21Å
568	Q	97.4	Very high	95.3	Very high	84 Å²	84	61 Å²	61	39%	0.393	33%	0.33	S	S	.	.	H	α-helix	trans	-63.5	-43.8	178.4	-74.9	172.4	-8.7	0	0	112	V528 M564 S565 A571 Q572	V528-Q568 HydrophobicContact CB-CG 4.13Å; V528-Q568 HydrophobicContact CG2-CG 4.15Å; M564-Q568 VanDerWaalsContact O-CB 3.29Å; M564-Q568 WeakPolarHBondContact O-CB 3.27Å; M564-Q568 WeakPolarHBondContact O-CG 3.5Å; M564-Q568 PolarHBondContact O-N 2.67Å; S565-Q568 PolarHBondContact O-N 2.98Å; Q568-A571 PolarHBondContact O-N 2.73Å; Q568-Q572 VanDerWaalsContact O-CG 3.32Å; Q568-Q572 WeakPolarHBondContact O-CG 3.39Å; Q568-Q572 PolarHBondContact O-N 2.88Å; Q568-Q572 VanDerWaalsContact O-N 3.09Å
569	K	96.9	Very high	94.5	Very high	157 Å²	157	63.3 Å²	63.3	68%	0.683	34%	0.338	S	S	*	.	H	α-helix	trans	-62.2	-44.5	175.2	-173.7	-179.7	179.4	-176.5	0	111.5	S565 C566 Q572 S573	S565-K569 WeakPolarHBondContact O-CB 3.37Å; S565-K569 PolarHBondContact O-N 3.05Å; C566-K569 PolarHBondContact O-N 3.06Å; K569-Q572 PolarHBondContact O-N 2.84Å; K569-S573 PolarHBondContact O-N 2.78Å; K569-S573 PolarHBondContact O-OG 2.94Å
570	A	97.2	Very high	93.9	Very high	2 Å²	2	63.6 Å²	63.6	2%	0.017	34%	0.338	C	S	.	.	H	α-helix	trans	-65.5	-37.8	178.7	0	0	0	0	0	112.6	L474 L495 L523 C566 I567 S573 C574	L474-A570 HydrophobicContact CD1-CB 3.58Å; L495-A570 HydrophobicContact CD1-CB 3.99Å; L495-A570 HydrophobicContact CD2-CB 4.18Å; L495-A570 HydrophobicContact CG-CB 4.31Å; L523-A570 HydrophobicContact CD1-CB 3.6Å; C566-A570 VanDerWaalsContact O-CB 3.31Å; C566-A570 WeakPolarHBondContact O-CB 3.4Å; C566-A570 PolarHBondContact O-N 2.91Å; I567-A570 PolarHBondContact O-N 3.48Å; A570-S573 CarbonylContact O-C 3.59Å; A570-S573 PolarHBondContact O-N 3.38Å; A570-S573 PolarHBondContact O-OG 3.24Å; A570-C574 PolarHBondContact O-N 3.46Å
571	A	96	Very high	93.4	Very high	27 Å²	27	64.7 Å²	64.7	22%	0.223	35%	0.345	C	S	.	.	H	α-helix	trans	-67.4	-33.4	175.9	0	0	0	0	0	113	L523 I567 Q568 S573 C574	L523-A571 HydrophobicContact CB-CB 4.19Å; I567-A571 WeakPolarHBondContact O-CB 3.32Å; I567-A571 PolarHBondContact O-N 3.21Å; Q568-A571 PolarHBondContact O-N 2.73Å; A571-S573 VanDerWaalsContact C-N 3.31Å; A571-C574 WeakPolarHBondContact O-CB 3.34Å; A571-C574 PolarHBondContact O-N 2.83Å
572	Q	95	Very high	92.8	Very high	168 Å²	168	61.5 Å²	61.5	79%	0.785	33%	0.333	S	S	*	.	H	α-helix	trans	-67.1	-30.9	172.5	-71.7	166.8	1.6	0	0	112.7	Q568 K569	Q568-Q572 VanDerWaalsContact O-CG 3.32Å; Q568-Q572 WeakPolarHBondContact O-CG 3.39Å; Q568-Q572 PolarHBondContact O-N 2.88Å; Q568-Q572 VanDerWaalsContact O-N 3.09Å; K569-Q572 PolarHBondContact O-N 2.84Å
573	S	94.4	Very high	92.2	Very high	80 Å²	80	60.3 Å²	60.3	56%	0.559	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	15.3	176.4	63.7	0	0	0	0	113.9	K569 A570 A571	K569-S573 PolarHBondContact O-N 2.78Å; K569-S573 PolarHBondContact O-OG 2.94Å; A570-S573 CarbonylContact O-C 3.59Å; A570-S573 PolarHBondContact O-N 3.38Å; A570-S573 PolarHBondContact O-OG 3.24Å; A571-S573 VanDerWaalsContact C-N 3.31Å
574	C	93.6	Very high	91.4	Very high	27 Å²	27	62 Å²	62	18%	0.182	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-71.4	125.7	-176.6	178.3	0	0	0	0	110.2	L523 T524 A570 A571	L523-C574 HydrophobicContact CB-CB 4.15Å; T524-C574 PolarHBondContact OG1-SG 3.4Å; A570-C574 PolarHBondContact O-N 3.46Å; A571-C574 WeakPolarHBondContact O-CB 3.34Å; A571-C574 PolarHBondContact O-N 2.83Å
575	P	91.4	Very high	90.4	Very high	34 Å²	34	64.7 Å²	64.7	22%	0.221	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-64.3	161.4	176.8	27.7	-35.5	0	0	0	112.1	D498 F580	D498-P575 HydrophobicContact CB-CG 3.91Å; P575-F580 HydrophobicContact CB-CB 3.9Å; P575-F580 HydrophobicContact CG-CB 3.78Å; P575-F580 HydrophobicContact CG-CD1 4.26Å; P575-F580 HydrophobicContact CG-CG 4.19Å
576	S	88.3	Confident	89.2	Confident	55 Å²	55	69.4 Å²	69.4	39%	0.385	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-68.8	157.5	174.5	72.7	0	0	0	0	111.1	E579 F580	S576-E579 WeakPolarHBondContact OG-CB 3.42Å; S576-E579 PolarHBondContact OG-N 3.13Å; S576-E579 PolarHBondContact OG-OE2 3.13Å; S576-F580 PolarHBondContact O-N 3.06Å
577	R	86.5	Confident	88.1	Confident	56 Å²	56	72.9 Å²	72.9	21%	0.211	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-19.9	-177.8	-66.7	-67.8	150.6	-157.2	13.9	113.9	D498 S522 T524 F580 P581	D498-R577 PolarHBondContact O-NH2 3.33Å; D498-R577 IonicContact OD2-CZ 3.09Å; D498-R577 IonicContact OD2-NH1 3.73Å; D498-R577 PolarHBondContact OD2-NH1 3.22Å; D498-R577 IonicContact OD2-NH2 2.57Å; S522-R577 PolarHBondContact OG-NE 3.2Å; S522-R577 PolarHBondContact OG-NH2 3.41Å; T524-R577 PolarHBondContact OG1-NE 3.02Å; R577-F580 PolarHBondContact NH1-O 3.16Å; R577-P581 WeakPolarHBondContact O-CA 3.38Å
578	D	82.4	Confident	87	Confident	152 Å²	152	77.7 Å²	77.7	81%	0.813	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-38.6	174.1	-51.4	-66.9	0	0	0	110.9
579	E	80.9	Confident	85.9	Confident	144 Å²	144	75.3 Å²	75.3	67%	0.673	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-50.4	172.7	-179.3	-174.6	-165.3	0	0	112.3	S576	S576-E579 WeakPolarHBondContact OG-CB 3.42Å; S576-E579 PolarHBondContact OG-N 3.13Å; S576-E579 PolarHBondContact OG-OE2 3.13Å
580	F	86.7	Confident	84.9	Confident	43 Å²	43	72.4 Å²	72.4	19%	0.189	39%	0.385	C	S	.	.	S	Bend	trans	-126	84.7	-176.4	-160.1	-97.9	0	0	0	112.1	R470 R471 D498 P575 S576 R577	R470-F580 HydrophobicContact CB-CZ 4.32Å; R470-F580 WeakPolarHBondContact O-CZ 3.47Å; R471-F580 HydrophobicContact CG-CE1 3.88Å; R471-F580 HydrophobicContact CG-CZ 3.88Å; D498-F580 HydrophobicContact CB-CD1 4.16Å; D498-F580 HydrophobicContact CB-CE1 4.44Å; D498-F580 WeakPolarHBondContact OD2-CD1 3.45Å; D498-F580 WeakPolarHBondContact OD2-CE1 3.43Å; P575-F580 HydrophobicContact CB-CB 3.9Å; P575-F580 HydrophobicContact CG-CB 3.78Å; P575-F580 HydrophobicContact CG-CD1 4.26Å; P575-F580 HydrophobicContact CG-CG 4.19Å; S576-F580 PolarHBondContact O-N 3.06Å; R577-F580 PolarHBondContact NH1-O 3.16Å
581	P	86.3	Confident	84.1	Confident	27 Å²	27	77.5 Å²	77.5	18%	0.175	41%	0.409	C	S	.	.			trans	-69.3	150.5	-179.1	29.2	-36.2	0	0	0	112.1	R577 I583	R577-P581 WeakPolarHBondContact O-CA 3.38Å; P581-I583 VanDerWaalsContact C-N 3.3Å; P581-I583 PolarHBondContact O-N 2.77Å
582	L	86.6	Confident	83.4	Confident	28 Å²	28	82.1 Å²	82.1	15%	0.147	42%	0.421	C	S	.	.	S	Bend	trans	-59.2	-40.5	-178.1	-73.4	174.4	0	0	0	112.5	V457 R471 I499	V457-L582 HydrophobicContact CG2-CB 4.45Å; R471-L582 PolarHBondContact NH1-O 2.76Å; R471-L582 PolarHBondContact NH2-O 2.87Å; I499-L582 HydrophobicContact CG2-CD2 3.45Å; I499-L582 VanDerWaalsContact CG2-CD2 3.45Å
583	I	86.1	Confident	82.8	Confident	43 Å²	43	82.1 Å²	82.1	22%	0.221	41%	0.413	C	S	.	.	S	Bend	trans	-124	145.3	172.8	-66	171.4	0	0	0	108.3	V457 A462 F463 E467 P581	V457-I583 HydrophobicContact CG2-CD1 3.4Å; V457-I583 HydrophobicContact CG2-CG1 3.96Å; A462-I583 VanDerWaalsContact C-CD1 3.47Å; F463-I583 HydrophobicContact CB-CD1 4.11Å; F463-I583 HydrophobicContact CB-CG1 4.22Å; F463-I583 HydrophobicContact CD2-CG1 4.24Å; E467-I583 WeakPolarHBondContact OE1-CA 3.5Å; P581-I583 VanDerWaalsContact C-N 3.3Å; P581-I583 PolarHBondContact O-N 2.77Å
584	E	80.5	Confident	82.3	Confident	38 Å²	38	82.7 Å²	82.7	18%	0.178	41%	0.41	C	S	.	.			trans	-104.2	134.7	175.6	-168.2	160.6	-103.7	0	0	112.3	E467 R470 K588 A589 R592	E467-E584 PolarHBondContact OE1-N 2.78Å; R470-E584 IonicContact CZ-OE1 3.64Å; R470-E584 IonicContact CZ-OE2 2.85Å; R470-E584 IonicContact NE-OE1 3.79Å; R470-E584 PolarHBondContact NE-OE1 3.42Å; R470-E584 IonicContact NE-OE2 3.44Å; R470-E584 PolarHBondContact NE-OE2 3.46Å; R470-E584 VanDerWaalsContact NH2-CD 3.25Å; R470-E584 IonicContact NH2-OE1 3.34Å; R470-E584 PolarHBondContact NH2-OE1 3.15Å; R470-E584 IonicContact NH2-OE2 3.78Å; E584-K588 HydrophobicContact CG-CB 3.84Å; E584-A589 HydrophobicContact CG-CB 4.43Å; E584-R592 IonicContact OE1-CZ 2.82Å; E584-R592 IonicContact OE1-NH2 3.82Å; E584-R592 PolarHBondContact OE1-NH2 2.92Å; E584-R592 IonicContact OE2-CZ 2.65Å; E584-R592 IonicContact OE2-NH1 2.72Å; E584-R592 IonicContact OE2-NH2 3.79Å; E584-R592 PolarHBondContact OE2-NH2 2.93Å
585	T	77.4	Confident	81.7	Confident	77 Å²	77	89.4 Å²	89.4	47%	0.472	43%	0.431	S	S	.	.			trans	-77	150.9	172.4	58.4	0	0	0	0	110.7	D587 K588 A589	T585-D587 PolarHBondContact O-N 2.67Å; T585-K588 PolarHBondContact O-N 2.93Å; T585-K588 WeakPolarHBondContact OG1-CG 3.45Å; T585-A589 PolarHBondContact O-N 3.48Å
586	E	73.6	Confident	81.2	Confident	174 Å²	174	90 Å²	90	81%	0.813	44%	0.439	S	S	*	.	H	α-helix	trans	-57.2	-35.7	179.3	-61.6	-175.4	161.5	0	0	111.7	K588 A589 L590	E586-K588 PolarHBondContact O-N 3.02Å; E586-A589 PolarHBondContact O-N 3.02Å; E586-L590 WeakPolarHBondContact O-CB 3.22Å; E586-L590 PolarHBondContact O-N 3.32Å
587	D	74.1	Confident	81	Confident	113 Å²	113	90.9 Å²	90.9	60%	0.604	44%	0.44	S	S	*	.	H	α-helix	trans	-59.6	-43.9	172.3	-57.3	-50.7	0	0	0	113.1	T585 L590 Q591	T585-D587 PolarHBondContact O-N 2.67Å; D587-L590 PolarHBondContact O-N 3.26Å; D587-Q591 WeakPolarHBondContact O-CB 3.36Å; D587-Q591 VanDerWaalsContact O-CG 3.27Å; D587-Q591 WeakPolarHBondContact O-CG 3.39Å; D587-Q591 PolarHBondContact O-N 2.6Å
588	K	76.6	Confident	81.1	Confident	103 Å²	103	92.9 Å²	92.9	45%	0.448	45%	0.454	S	S	.	.	H	α-helix	trans	-69.6	-37	178.1	-77.1	-175.3	175.6	-171.2	0	111.2	E584 T585 E586 R592	E584-K588 HydrophobicContact CG-CB 3.84Å; T585-K588 PolarHBondContact O-N 2.93Å; T585-K588 WeakPolarHBondContact OG1-CG 3.45Å; E586-K588 PolarHBondContact O-N 3.02Å; K588-R592 PolarHBondContact O-N 3.05Å; K588-R592 VanDerWaalsContact O-N 3.1Å
589	A	73.6	Confident	81.3	Confident	34 Å²	34	92.2 Å²	92.2	28%	0.281	45%	0.446	S	S	.	.	H	α-helix	trans	-63.6	-44.5	173.2	0	0	0	0	0	111.8	E584 T585 E586 R592 R593	E584-A589 HydrophobicContact CG-CB 4.43Å; T585-A589 PolarHBondContact O-N 3.48Å; E586-A589 PolarHBondContact O-N 3.02Å; A589-R592 PolarHBondContact O-N 3.32Å; A589-R593 WeakPolarHBondContact O-CB 3.17Å; A589-R593 PolarHBondContact O-N 3.16Å
590	L	76.7	Confident	81.7	Confident	95 Å²	95	89.9 Å²	89.9	50%	0.497	44%	0.435	S	S	.	.	H	α-helix	trans	-62.9	-46.1	175	178.8	60.7	0	0	0	111.8	E586 D587 R592 R593 L594	E586-L590 WeakPolarHBondContact O-CB 3.22Å; E586-L590 PolarHBondContact O-N 3.32Å; D587-L590 PolarHBondContact O-N 3.26Å; L590-R592 PolarHBondContact O-N 2.73Å; L590-R593 PolarHBondContact O-N 2.81Å; L590-L594 HydrophobicContact CD1-CD1 4.09Å; L590-L594 HydrophobicContact CD1-CG 4.13Å; L590-L594 HydrophobicContact CG-CD1 4.02Å; L590-L594 HydrophobicContact CG-CG 4.48Å; L590-L594 WeakPolarHBondContact O-CG 3.07Å; L590-L594 PolarHBondContact O-N 2.73Å
591	Q	79.3	Confident	81.7	Confident	110 Å²	110	93.3 Å²	93.3	51%	0.514	45%	0.449	S	S	.	.	H	α-helix	trans	-59.6	-42.8	177.9	-77.5	178	17.3	0	0	112.7	D587 R595	D587-Q591 WeakPolarHBondContact O-CB 3.36Å; D587-Q591 VanDerWaalsContact O-CG 3.27Å; D587-Q591 WeakPolarHBondContact O-CG 3.39Å; D587-Q591 PolarHBondContact O-N 2.6Å; Q591-R595 WeakPolarHBondContact O-CG 3.21Å; Q591-R595 PolarHBondContact O-N 3.46Å
592	R	81.8	Confident	81.6	Confident	124 Å²	124	96.3 Å²	96.3	47%	0.468	46%	0.464	S	S	.	.	H	α-helix	trans	-67.8	-40.8	175.6	-165.1	-153.9	-42.4	89.6	32.6	111.7	E584 K588 A589 L590 R595 A596	E584-R592 IonicContact OE1-CZ 2.82Å; E584-R592 IonicContact OE1-NH2 3.82Å; E584-R592 PolarHBondContact OE1-NH2 2.92Å; E584-R592 IonicContact OE2-CZ 2.65Å; E584-R592 IonicContact OE2-NH1 2.72Å; E584-R592 IonicContact OE2-NH2 3.79Å; E584-R592 PolarHBondContact OE2-NH2 2.93Å; K588-R592 PolarHBondContact O-N 3.05Å; K588-R592 VanDerWaalsContact O-N 3.1Å; A589-R592 PolarHBondContact O-N 3.32Å; L590-R592 PolarHBondContact O-N 2.73Å; R592-R595 PolarHBondContact O-N 2.82Å; R592-A596 PolarHBondContact O-N 3.14Å
593	R	82.4	Confident	81.3	Confident	167 Å²	167	100 Å²	100	63%	0.63	48%	0.479	S	S	*	.	H	α-helix	trans	-57.2	-51.2	176	177.4	179.1	172.6	175.1	2.4	110.4	A589 L590 R595 A596 D597	A589-R593 WeakPolarHBondContact O-CB 3.17Å; A589-R593 PolarHBondContact O-N 3.16Å; L590-R593 PolarHBondContact O-N 2.81Å; R593-R595 VanDerWaalsContact C-N 3.3Å; R593-R595 PolarHBondContact O-N 3.49Å; R593-A596 PolarHBondContact O-N 3.47Å; R593-A596 VanDerWaalsContact O-N 3.09Å; R593-D597 WeakPolarHBondContact CG-OD2 3.47Å; R593-D597 IonicContact NE-OD2 2.76Å; R593-D597 PolarHBondContact NE-OD2 2.82Å; R593-D597 WeakPolarHBondContact O-CB 3.3Å; R593-D597 VanDerWaalsContact O-CG 3.24Å; R593-D597 PolarHBondContact O-N 3.09Å
594	L	83.5	Confident	81.4	Confident	92 Å²	92	100.8 Å²	100.8	48%	0.482	48%	0.482	S	S	.	.	H	α-helix	trans	-59.6	-38.2	177.7	-68	171.1	0	0	0	112.3	L590 I598	L590-L594 HydrophobicContact CD1-CD1 4.09Å; L590-L594 HydrophobicContact CD1-CG 4.13Å; L590-L594 HydrophobicContact CG-CD1 4.02Å; L590-L594 HydrophobicContact CG-CG 4.48Å; L590-L594 WeakPolarHBondContact O-CG 3.07Å; L590-L594 PolarHBondContact O-N 2.73Å; L594-I598 WeakPolarHBondContact O-CB 3.42Å; L594-I598 WeakPolarHBondContact O-CD1 3.34Å; L594-I598 WeakPolarHBondContact O-CG1 3.14Å; L594-I598 PolarHBondContact O-N 2.96Å
595	R	81.3	Confident	81.4	Confident	168 Å²	168	102.8 Å²	102.8	63%	0.634	50%	0.496	S	S	*	.	H	α-helix	trans	-64.5	-40.8	173.3	-73.6	175.1	-177.3	-176.1	1.7	113	Q591 R592 R593 I598 Q599	Q591-R595 WeakPolarHBondContact O-CG 3.21Å; Q591-R595 PolarHBondContact O-N 3.46Å; R592-R595 PolarHBondContact O-N 2.82Å; R593-R595 VanDerWaalsContact C-N 3.3Å; R593-R595 PolarHBondContact O-N 3.49Å; R595-I598 PolarHBondContact O-N 3.46Å; R595-Q599 WeakPolarHBondContact O-CG 3.43Å; R595-Q599 PolarHBondContact O-N 3.01Å
596	A	80	Confident	81.2	Confident	47 Å²	47	104.7 Å²	104.7	39%	0.388	50%	0.503	S	S	.	.	H	α-helix	trans	-69.6	-40.9	177.1	0	0	0	0	0	111.8	R592 R593 I598 Q599 Q600	R592-A596 PolarHBondContact O-N 3.14Å; R593-A596 PolarHBondContact O-N 3.47Å; R593-A596 VanDerWaalsContact O-N 3.09Å; A596-I598 VanDerWaalsContact C-N 3.3Å; A596-I598 PolarHBondContact O-N 3.34Å; A596-Q599 PolarHBondContact O-N 2.98Å; A596-Q600 WeakPolarHBondContact O-CB 3.34Å; A596-Q600 PolarHBondContact O-N 3.14Å
597	D	85.7	Confident	81.6	Confident	74 Å²	74	101.1 Å²	101.1	40%	0.396	49%	0.486	S	S	.	.	H	α-helix	trans	-61.3	-39.1	174.7	-67.1	-20.6	0	0	0	110.5	R593 K601	R593-D597 WeakPolarHBondContact CG-OD2 3.47Å; R593-D597 IonicContact NE-OD2 2.76Å; R593-D597 PolarHBondContact NE-OD2 2.82Å; R593-D597 WeakPolarHBondContact O-CB 3.3Å; R593-D597 VanDerWaalsContact O-CG 3.24Å; R593-D597 PolarHBondContact O-N 3.09Å; D597-K601 VanDerWaalsContact O-CG 3.31Å; D597-K601 WeakPolarHBondContact O-CG 3.5Å; D597-K601 PolarHBondContact O-N 2.7Å
598	I	87.8	Confident	81.9	Confident	98 Å²	98	100.8 Å²	100.8	50%	0.503	48%	0.484	S	S	.	.	H	α-helix	trans	-63.9	-53.4	171.9	-70.8	163.4	0	0	0	111.3	L594 R595 A596 Q600 K601 D602	L594-I598 WeakPolarHBondContact O-CB 3.42Å; L594-I598 WeakPolarHBondContact O-CD1 3.34Å; L594-I598 WeakPolarHBondContact O-CG1 3.14Å; L594-I598 PolarHBondContact O-N 2.96Å; R595-I598 PolarHBondContact O-N 3.46Å; A596-I598 VanDerWaalsContact C-N 3.3Å; A596-I598 PolarHBondContact O-N 3.34Å; I598-Q600 PolarHBondContact O-N 3.38Å; I598-K601 CarbonylContact O-C 3.59Å; I598-K601 WeakPolarHBondContact O-CA 3.27Å; I598-K601 WeakPolarHBondContact O-CB 3.46Å; I598-K601 PolarHBondContact O-N 3.36Å; I598-D602 PolarHBondContact O-N 2.97Å
599	Q	86.2	Confident	81.7	Confident	138 Å²	138	100.3 Å²	100.3	65%	0.645	49%	0.486	S	S	*	.	H	α-helix	trans	-58.9	-34.7	-178.8	-74.9	175.5	-32.2	0	0	113.1	R595 A596 K603	R595-Q599 WeakPolarHBondContact O-CG 3.43Å; R595-Q599 PolarHBondContact O-N 3.01Å; A596-Q599 PolarHBondContact O-N 2.98Å; Q599-K603 PolarHBondContact O-N 2.92Å
600	Q	90.1	Very high	81.6	Confident	95 Å²	95	105.2 Å²	105.2	44%	0.444	50%	0.503	S	S	.	.	H	α-helix	trans	-66.6	-40	172.8	173.2	54.6	36.6	0	0	111.6	A596 I598 K603 E604	A596-Q600 WeakPolarHBondContact O-CB 3.34Å; A596-Q600 PolarHBondContact O-N 3.14Å; I598-Q600 PolarHBondContact O-N 3.38Å; Q600-K603 PolarHBondContact O-N 2.82Å; Q600-E604 PolarHBondContact NE2-OE1 3.23Å; Q600-E604 WeakPolarHBondContact O-CG 3.45Å; Q600-E604 PolarHBondContact O-N 3.31Å; Q600-E604 VanDerWaalsContact O-N 3.08Å
601	K	86.7	Confident	81.5	Confident	114 Å²	114	105.9 Å²	105.9	50%	0.496	50%	0.503	S	S	.	.	H	α-helix	trans	-69.1	-36.7	175.1	-67.3	-69.1	156.9	-147.7	0	112.7	D597 I598 K603 E604 V605	D597-K601 VanDerWaalsContact O-CG 3.31Å; D597-K601 WeakPolarHBondContact O-CG 3.5Å; D597-K601 PolarHBondContact O-N 2.7Å; I598-K601 CarbonylContact O-C 3.59Å; I598-K601 WeakPolarHBondContact O-CA 3.27Å; I598-K601 WeakPolarHBondContact O-CB 3.46Å; I598-K601 PolarHBondContact O-N 3.36Å; K601-K603 VanDerWaalsContact C-N 3.28Å; K601-K603 PolarHBondContact O-N 2.63Å; K601-E604 IonicContact NZ-OE1 2.73Å; K601-E604 PolarHBondContact NZ-OE1 3.37Å; K601-E604 IonicContact NZ-OE2 2.95Å; K601-E604 PolarHBondContact NZ-OE2 3.47Å; K601-E604 PolarHBondContact O-N 2.97Å; K601-V605 WeakPolarHBondContact O-CG2 3.22Å; K601-V605 PolarHBondContact O-N 2.89Å
602	D	83.2	Confident	81.1	Confident	90 Å²	90	108 Å²	108	48%	0.481	51%	0.507	S	S	.	.	H	α-helix	trans	-60	-40.4	173.6	-61.6	-32.1	0	0	0	111	I598 V605 L606	I598-D602 PolarHBondContact O-N 2.97Å; D602-V605 PolarHBondContact O-N 3Å; D602-L606 WeakPolarHBondContact O-CG 3.38Å; D602-L606 PolarHBondContact O-N 3.26Å
603	K	81.8	Confident	80.2	Confident	107 Å²	107	104.6 Å²	104.6	47%	0.465	51%	0.505	S	S	.	.	H	α-helix	trans	-65.6	-45.8	175.1	-173.5	174.2	-178.3	-72.4	0	112.7	Q599 Q600 K601 V605 L606 E607	Q599-K603 PolarHBondContact O-N 2.92Å; Q600-K603 PolarHBondContact O-N 2.82Å; K601-K603 VanDerWaalsContact C-N 3.28Å; K601-K603 PolarHBondContact O-N 2.63Å; K603-V605 VanDerWaalsContact C-N 3.28Å; K603-V605 PolarHBondContact O-N 2.82Å; K603-L606 PolarHBondContact O-N 2.88Å; K603-E607 IonicContact NZ-OE1 3.8Å; K603-E607 PolarHBondContact NZ-OE1 3.27Å; K603-E607 WeakPolarHBondContact O-CG 3.44Å; K603-E607 PolarHBondContact O-N 2.83Å
604	E	86.4	Confident	79.3	Confident	59 Å²	59	100 Å²	100	28%	0.276	50%	0.496	S	S	.	.	H	α-helix	trans	-60	-38.4	175.4	-70.4	168.9	-147.6	0	0	112	Q600 K601 E607 L608	Q600-E604 PolarHBondContact NE2-OE1 3.23Å; Q600-E604 WeakPolarHBondContact O-CG 3.45Å; Q600-E604 PolarHBondContact O-N 3.31Å; Q600-E604 VanDerWaalsContact O-N 3.08Å; K601-E604 IonicContact NZ-OE1 2.73Å; K601-E604 PolarHBondContact NZ-OE1 3.37Å; K601-E604 IonicContact NZ-OE2 2.95Å; K601-E604 PolarHBondContact NZ-OE2 3.47Å; K601-E604 PolarHBondContact O-N 2.97Å; E604-E607 PolarHBondContact O-N 2.74Å; E604-L608 WeakPolarHBondContact O-CG 3.42Å; E604-L608 PolarHBondContact O-N 2.87Å
605	V	81	Confident	78.3	Confident	80 Å²	80	100.6 Å²	100.6	49%	0.485	50%	0.499	S	S	.	.	H	α-helix	trans	-66.2	-40.5	175.2	168.6	0	0	0	0	111.6	K601 D602 K603 L608 L609	K601-V605 WeakPolarHBondContact O-CG2 3.22Å; K601-V605 PolarHBondContact O-N 2.89Å; D602-V605 PolarHBondContact O-N 3Å; K603-V605 VanDerWaalsContact C-N 3.28Å; K603-V605 PolarHBondContact O-N 2.82Å; V605-L608 PolarHBondContact O-N 2.89Å; V605-L609 HydrophobicContact CG1-CD1 3.87Å; V605-L609 HydrophobicContact CG1-CG 4.36Å; V605-L609 WeakPolarHBondContact O-CB 3.42Å; V605-L609 VanDerWaalsContact O-CG 3.23Å; V605-L609 WeakPolarHBondContact O-CG 3.17Å; V605-L609 PolarHBondContact O-N 3.03Å
606	L	74.2	Confident	77.3	Confident	117 Å²	117	96.6 Å²	96.6	61%	0.613	49%	0.486	S	S	*	.	H	α-helix	trans	-63.5	-41.7	175.5	-73.5	168	0	0	0	112.2	D602 K603 L609 Q610	D602-L606 WeakPolarHBondContact O-CG 3.38Å; D602-L606 PolarHBondContact O-N 3.26Å; K603-L606 PolarHBondContact O-N 2.88Å; L606-L609 PolarHBondContact O-N 3.49Å; L606-Q610 WeakPolarHBondContact O-CB 3.46Å; L606-Q610 PolarHBondContact O-N 3.47Å
607	E	81.1	Confident	76.4	Confident	99 Å²	99	97.2 Å²	97.2	46%	0.463	49%	0.488	S	S	.	.	H	α-helix	trans	-62.7	-45.9	176.7	-72.2	170.9	173.2	0	0	111.5	K603 E604 L609 Q610 E611	K603-E607 IonicContact NZ-OE1 3.8Å; K603-E607 PolarHBondContact NZ-OE1 3.27Å; K603-E607 WeakPolarHBondContact O-CG 3.44Å; K603-E607 PolarHBondContact O-N 2.83Å; E604-E607 PolarHBondContact O-N 2.74Å; E607-L609 PolarHBondContact O-N 2.81Å; E607-Q610 PolarHBondContact O-N 3.32Å; E607-E611 PolarHBondContact O-N 3.23Å
608	L	81.8	Confident	75.4	Confident	106 Å²	106	97.9 Å²	97.9	56%	0.555	49%	0.491	S	S	*	.	H	α-helix	trans	-65	-34.2	175.4	-71.1	168.3	0	0	0	113.3	E604 V605 R612	E604-L608 WeakPolarHBondContact O-CG 3.42Å; E604-L608 PolarHBondContact O-N 2.87Å; V605-L608 PolarHBondContact O-N 2.89Å; L608-R612 WeakPolarHBondContact O-CB 3.45Å; L608-R612 PolarHBondContact O-N 2.69Å
609	L	71.5	Confident	74.3	Confident	92 Å²	92	97.1 Å²	97.1	48%	0.482	49%	0.488	S	S	.	.	H	α-helix	trans	-69.7	-35.7	174.5	-75	171.1	0	0	0	111.8	V605 L606 E607 A613	V605-L609 HydrophobicContact CG1-CD1 3.87Å; V605-L609 HydrophobicContact CG1-CG 4.36Å; V605-L609 WeakPolarHBondContact O-CB 3.42Å; V605-L609 VanDerWaalsContact O-CG 3.23Å; V605-L609 WeakPolarHBondContact O-CG 3.17Å; V605-L609 PolarHBondContact O-N 3.03Å; L606-L609 PolarHBondContact O-N 3.49Å; E607-L609 PolarHBondContact O-N 2.81Å; L609-A613 PolarHBondContact O-N 3.45Å; L609-A613 VanDerWaalsContact O-N 3.09Å
610	Q	71.3	Confident	73.3	Confident	138 Å²	138	93.6 Å²	93.6	65%	0.645	48%	0.476	S	S	*	.	H	α-helix	trans	-69.1	-45.2	175	-174.9	172.8	-12	0	0	111.7	L606 E607 R612 A613 T614	L606-Q610 WeakPolarHBondContact O-CB 3.46Å; L606-Q610 PolarHBondContact O-N 3.47Å; E607-Q610 PolarHBondContact O-N 3.32Å; Q610-R612 VanDerWaalsContact C-N 3.31Å; Q610-R612 PolarHBondContact O-N 3.3Å; Q610-A613 WeakPolarHBondContact O-CB 3.27Å; Q610-A613 PolarHBondContact O-N 2.93Å; Q610-T614 PolarHBondContact O-N 3.46Å; Q610-T614 PolarHBondContact O-OG1 2.72Å
611	E	74.7	Confident	72.1	Confident	108 Å²	108	94 Å²	94	51%	0.505	48%	0.477	S	S	.	.	H	α-helix	trans	-58.5	-42.8	173.7	-176.2	-176.3	-170.5	0	0	111.6	E607 A613 T614 L615	E607-E611 PolarHBondContact O-N 3.23Å; E611-A613 VanDerWaalsContact C-N 3.28Å; E611-A613 PolarHBondContact O-N 3.29Å; E611-T614 PolarHBondContact O-N 3.36Å; E611-T614 PolarHBondContact O-OG1 3.07Å; E611-L615 HydrophobicContact CG-CD1 4.08Å; E611-L615 WeakPolarHBondContact O-CB 2.97Å; E611-L615 VanDerWaalsContact O-CG 3.32Å; E611-L615 WeakPolarHBondContact O-CG 3.38Å; E611-L615 PolarHBondContact O-N 3.29Å
612	R	70.3	Confident	70.9	Confident	155 Å²	155	91 Å²	91	59%	0.585	47%	0.474	S	S	*	.	H	α-helix	trans	-61.5	-35.5	174.4	-177.7	178.9	172.6	-160.6	-4.7	112.5	L608 Q610 F616	L608-R612 WeakPolarHBondContact O-CB 3.45Å; L608-R612 PolarHBondContact O-N 2.69Å; Q610-R612 VanDerWaalsContact C-N 3.31Å; Q610-R612 PolarHBondContact O-N 3.3Å; R612-F616 WeakPolarHBondContact O-CB 3.26Å; R612-F616 PolarHBondContact O-N 2.91Å; R612-F616 VanDerWaalsContact O-N 3.09Å
613	A	62.8	Low	69.9	Low	53 Å²	53	89.1 Å²	89.1	44%	0.438	47%	0.466	S	S	.	.	H	α-helix	trans	-72.9	-36.7	178.3	0	0	0	0	0	112.6	L609 Q610 E611 S617	L609-A613 PolarHBondContact O-N 3.45Å; L609-A613 VanDerWaalsContact O-N 3.09Å; Q610-A613 WeakPolarHBondContact O-CB 3.27Å; Q610-A613 PolarHBondContact O-N 2.93Å; E611-A613 VanDerWaalsContact C-N 3.28Å; E611-A613 PolarHBondContact O-N 3.29Å; A613-S617 PolarHBondContact O-N 2.97Å; A613-S617 VanDerWaalsContact O-N 3.08Å; A613-S617 PolarHBondContact O-OG 2.89Å
614	T	63.3	Low	68.6	Low	71 Å²	71	87.4 Å²	87.4	44%	0.436	47%	0.472	S	S	.	.	H	α-helix	trans	-67.4	-48.5	173	50.5	0	0	0	0	111	Q610 E611 F616 S617 D618	Q610-T614 PolarHBondContact O-N 3.46Å; Q610-T614 PolarHBondContact O-OG1 2.72Å; E611-T614 PolarHBondContact O-N 3.36Å; E611-T614 PolarHBondContact O-OG1 3.07Å; T614-F616 VanDerWaalsContact C-N 3.26Å; T614-F616 PolarHBondContact O-N 3.31Å; T614-S617 WeakPolarHBondContact O-CA 3.21Å; T614-S617 WeakPolarHBondContact O-CB 3.41Å; T614-S617 PolarHBondContact O-N 3.41Å; T614-D618 PolarHBondContact O-N 3.21Å
615	L	62.6	Low	66.9	Low	104 Å²	104	94 Å²	94	55%	0.545	49%	0.494	S	S	.	.	H	α-helix	trans	-58	-36.3	176.9	-70.7	171.6	0	0	0	112.9	E611 L619	E611-L615 HydrophobicContact CG-CD1 4.08Å; E611-L615 WeakPolarHBondContact O-CB 2.97Å; E611-L615 VanDerWaalsContact O-CG 3.32Å; E611-L615 WeakPolarHBondContact O-CG 3.38Å; E611-L615 PolarHBondContact O-N 3.29Å; L615-L619 WeakPolarHBondContact O-CB 3.43Å; L615-L619 PolarHBondContact O-N 3Å
616	F	60.6	Low	65.5	Low	84 Å²	84	98 Å²	98	37%	0.368	51%	0.508	S	S	.	.	H	α-helix	trans	-68	-40.9	173.3	-176.3	-95.3	0	0	0	112.3	R612 T614 D618 L619 V620 F645	R612-F616 WeakPolarHBondContact O-CB 3.26Å; R612-F616 PolarHBondContact O-N 2.91Å; R612-F616 VanDerWaalsContact O-N 3.09Å; T614-F616 VanDerWaalsContact C-N 3.26Å; T614-F616 PolarHBondContact O-N 3.31Å; F616-D618 VanDerWaalsContact C-N 3.34Å; F616-L619 PolarHBondContact O-N 3.39Å; F616-V620 HydrophobicContact CD1-CG2 4.29Å; F616-V620 HydrophobicContact CE1-CG2 3.88Å; F616-V620 HydrophobicContact CZ-CG2 4.09Å; F616-V620 WeakPolarHBondContact O-CG2 3.33Å; F616-V620 PolarHBondContact O-N 2.94Å; F616-F645 HydrophobicContact CD2-CE2 4.38Å; F616-F645 HydrophobicContact CE2-CD2 4.24Å; F616-F645 AromaticContact CE2-CE2 3.88Å; F616-F645 HydrophobicContact CE2-CE2 3.88Å; F616-F645 HydrophobicContact CZ-CD2 4.42Å; F616-F645 AromaticContact CZ-CE2 4Å; F616-F645 HydrophobicContact CZ-CE2 4Å
617	S	61.3	Low	64.3	Low	60 Å²	60	99.7 Å²	99.7	42%	0.42	52%	0.517	S	S	.	.	H	α-helix	trans	-64.7	-38.2	177.1	-56.5	0	0	0	0	112.1	A613 T614 Q621	A613-S617 PolarHBondContact O-N 2.97Å; A613-S617 VanDerWaalsContact O-N 3.08Å; A613-S617 PolarHBondContact O-OG 2.89Å; T614-S617 WeakPolarHBondContact O-CA 3.21Å; T614-S617 WeakPolarHBondContact O-CB 3.41Å; T614-S617 PolarHBondContact O-N 3.41Å; S617-Q621 WeakPolarHBondContact O-CG 3.41Å; S617-Q621 PolarHBondContact O-N 3.29Å; S617-Q621 VanDerWaalsContact O-N 3.07Å; S617-Q621 PolarHBondContact O-NE2 3.14Å
618	D	65.4	Low	62.7	Low	88 Å²	88	97.8 Å²	97.8	47%	0.471	53%	0.525	S	S	.	.	H	α-helix	trans	-69.9	-39.5	175.9	-63.6	-29.2	0	0	0	111.6	T614 F616 V620 Q621 A622	T614-D618 PolarHBondContact O-N 3.21Å; F616-D618 VanDerWaalsContact C-N 3.34Å; D618-V620 PolarHBondContact O-N 3.14Å; D618-Q621 PolarHBondContact O-N 3.43Å; D618-A622 VanDerWaalsContact O-CB 3.31Å; D618-A622 WeakPolarHBondContact O-CB 3.44Å; D618-A622 PolarHBondContact O-N 3.48Å
619	L	64.5	Low	60.7	Low	81 Å²	81	101.9 Å²	101.9	42%	0.424	54%	0.541	S	S	.	.	H	α-helix	trans	-62.1	-40.6	174.4	179.9	63.6	0	0	0	112.3	L615 F616 A622 T623	L615-L619 WeakPolarHBondContact O-CB 3.43Å; L615-L619 PolarHBondContact O-N 3Å; F616-L619 PolarHBondContact O-N 3.39Å; L619-A622 PolarHBondContact O-N 3.05Å; L619-T623 PolarHBondContact O-N 3.02Å; L619-T623 PolarHBondContact O-OG1 3.19Å
620	V	64.5	Low	59.4	Low	65 Å²	65	106.3 Å²	106.3	39%	0.394	56%	0.559	S	S	.	*	H	α-helix	trans	-65.8	-41.6	174.8	170.7	0	0	0	0	111.1	F616 D618 T623 A624	F616-V620 HydrophobicContact CD1-CG2 4.29Å; F616-V620 HydrophobicContact CE1-CG2 3.88Å; F616-V620 HydrophobicContact CZ-CG2 4.09Å; F616-V620 WeakPolarHBondContact O-CG2 3.33Å; F616-V620 PolarHBondContact O-N 2.94Å; D618-V620 PolarHBondContact O-N 3.14Å; V620-T623 PolarHBondContact O-OG1 3.21Å; V620-A624 VanDerWaalsContact O-CB 3.25Å; V620-A624 WeakPolarHBondContact O-CB 3.42Å; V620-A624 PolarHBondContact O-N 3.08Å
621	Q	64.5	Low	57.6	Low	102 Å²	102	108.7 Å²	108.7	48%	0.477	57%	0.57	S	S	.	*	H	α-helix	trans	-67.5	-35.8	174.8	-74.6	177.8	74.4	0	0	113.2	S617 D618 R625	S617-Q621 WeakPolarHBondContact O-CG 3.41Å; S617-Q621 PolarHBondContact O-N 3.29Å; S617-Q621 VanDerWaalsContact O-N 3.07Å; S617-Q621 PolarHBondContact O-NE2 3.14Å; D618-Q621 PolarHBondContact O-N 3.43Å; Q621-R625 WeakPolarHBondContact O-CG 3.45Å; Q621-R625 PolarHBondContact O-N 2.89Å
622	A	61.9	Low	56.1	Low	53 Å²	53	113 Å²	113	44%	0.438	59%	0.59	S	S	.	*	H	α-helix	trans	-69.9	-42.8	178.8	0	0	0	0	0	111.9	D618 L619 R625	D618-A622 VanDerWaalsContact O-CB 3.31Å; D618-A622 WeakPolarHBondContact O-CB 3.44Å; D618-A622 PolarHBondContact O-N 3.48Å; L619-A622 PolarHBondContact O-N 3.05Å; A622-R625 PolarHBondContact O-N 3.05Å
623	T	63.2	Low	54.4	Low	49 Å²	49	111.3 Å²	111.3	30%	0.301	60%	0.597	S	S	.	*	H	α-helix	trans	-67	-42.6	175	43	0	0	0	0	111.8	L619 V620 R625 Q626	L619-T623 PolarHBondContact O-N 3.02Å; L619-T623 PolarHBondContact O-OG1 3.19Å; V620-T623 PolarHBondContact O-OG1 3.21Å; T623-R625 PolarHBondContact O-N 3.04Å; T623-Q626 PolarHBondContact O-N 3.37Å
624	A	54.5	Low	53.4	Low	72 Å²	72	118 Å²	118	60%	0.595	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	-12.1	174.8	0	0	0	0	0	114.8	V620	V620-A624 VanDerWaalsContact O-CB 3.25Å; V620-A624 WeakPolarHBondContact O-CB 3.42Å; V620-A624 PolarHBondContact O-N 3.08Å
625	R	50.4	Low	51.9	Low	196 Å²	196	118.7 Å²	118.7	74%	0.74	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	-8.4	173.5	-73.9	176.6	-172.9	-159	5.5	114.1	Q621 A622 T623	Q621-R625 WeakPolarHBondContact O-CG 3.45Å; Q621-R625 PolarHBondContact O-N 2.89Å; A622-R625 PolarHBondContact O-N 3.05Å; T623-R625 PolarHBondContact O-N 3.04Å
626	Q	51.4	Low	51	Low	165 Å²	165	123 Å²	123	77%	0.771	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-27.8	178.8	-69	-170.5	-50.2	0	0	113	T623 G628	T623-Q626 PolarHBondContact O-N 3.37Å; Q626-G628 PolarHBondContact O-N 2.86Å
627	D	49.1	Very low	49.8	Very low	152 Å²	152	126 Å²	126	81%	0.813	67%	0.672	S	S	*	*	S	Bend	trans	-81	35	173.8	-61	-39.5	0	0	0	112.2
628	G	46.4	Very low	48.7	Very low	60 Å²	60	127.7 Å²	127.7	62%	0.619	68%	0.683	S	S	*	*			trans	-110.6	25.7	-158.9	0	0	0	0	0	117.3	Q626	Q626-G628 PolarHBondContact O-N 2.86Å
629	E	40.4	Very low	47.6	Very low	192 Å²	192	127.6 Å²	127.6	90%	0.897	69%	0.689	S	S	*	*	S	Bend	trans	-121.8	156.9	169.4	-74.1	-165.9	153.2	0	0	112	Q631	E629-Q631 PolarHBondContact O-N 2.96Å
630	E	43.4	Very low	46.5	Very low	184 Å²	184	127.5 Å²	127.5	86%	0.86	70%	0.695	S	S	*	*			trans	-74.2	115	-154.4	-56.3	179.4	142.1	0	0	115.3
631	Q	34.4	Very low	45.3	Very low	189 Å²	189	130.2 Å²	130.2	88%	0.883	71%	0.708	S	S	*	*			trans	-161.4	148	138	-116.5	143.2	100	0	0	116.1	E629 V633	E629-Q631 PolarHBondContact O-N 2.96Å; Q631-V633 PolarHBondContact O-N 3.02Å
632	H	42.6	Very low	44.3	Very low	197 Å²	197	131.8 Å²	131.8	91%	0.912	71%	0.709	S	S	*	*			trans	-94.9	80.2	-168.5	-158.3	-65.8	0	0	0	111.7
633	V	34.3	Very low	43.4	Very low	120 Å²	120	134.2 Å²	134.2	73%	0.727	72%	0.715	S	S	*	*			trans	-133	144.7	178.3	-175.5	0	0	0	0	111	Q631 A635	Q631-V633 PolarHBondContact O-N 3.02Å; V633-A635 PolarHBondContact O-N 3.36Å
634	E	43.2	Very low	42.5	Very low	195 Å²	195	136.5 Å²	136.5	91%	0.911	73%	0.725	S	S	*	*			trans	-68.9	69.9	176.5	-62.6	-178.1	123.9	0	0	112.6	K636	E634-K636 PolarHBondContact O-N 3.45Å
635	A	31.6	Very low	42.1	Very low	85 Å²	85	139.3 Å²	139.3	70%	0.702	72%	0.724	S	S	*	*			trans	-75	108.4	177.6	0	0	0	0	0	110.9	V633 T637	V633-A635 PolarHBondContact O-N 3.36Å; A635-T637 PolarHBondContact O-N 2.82Å; A635-T637 VanDerWaalsContact O-N 3.12Å
636	K	42.5	Very low	41.8	Very low	195 Å²	195	139.6 Å²	139.6	85%	0.848	73%	0.725	S	S	*	*			trans	-52.9	117.1	167.7	-65.9	161.4	-177	165.2	0	109	E634 S638	E634-K636 PolarHBondContact O-N 3.45Å; K636-S638 PolarHBondContact O-N 3.16Å
637	T	36.8	Very low	41.6	Very low	147 Å²	147	133.7 Å²	133.7	90%	0.902	70%	0.704	S	S	*	*			trans	-66.2	85.5	174.1	42.8	0	0	0	0	109.8	A635	A635-T637 PolarHBondContact O-N 2.82Å; A635-T637 VanDerWaalsContact O-N 3.12Å
638	S	36.7	Very low	41.5	Very low	95 Å²	95	134 Å²	134	66%	0.664	71%	0.705	S	S	*	*			trans	-68.4	159.8	-169.2	67.5	0	0	0	0	112.6	K636 S640	K636-S638 PolarHBondContact O-N 3.16Å; S638-S640 PolarHBondContact O-N 3.08Å
639	S	43.8	Very low	41.9	Very low	86 Å²	86	133.7 Å²	133.7	60%	0.601	69%	0.692	S	S	*	*	G	3₁₀ helix	trans	-50.6	-0.1	-164.9	50.1	0	0	0	0	119.6	N641 R642 N643	S639-N641 PolarHBondContact O-N 3.22Å; S639-R642 PolarHBondContact O-N 3.09Å; S639-N643 PolarHBondContact O-ND2 3.49Å
640	S	40.3	Very low	42.5	Very low	78 Å²	78	131 Å²	131	55%	0.545	69%	0.691	S	S	.	*	G	3₁₀ helix	trans	-56.3	-48.9	-173.5	-162.1	0	0	0	0	113.5	S638 R642 N643	S638-S640 PolarHBondContact O-N 3.08Å; S640-R642 PolarHBondContact O-N 3.31Å; S640-N643 WeakPolarHBondContact O-CB 3.46Å; S640-N643 PolarHBondContact O-N 2.79Å
641	N	39.3	Very low	42.8	Very low	122 Å²	122	130.3 Å²	130.3	65%	0.652	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-67.2	-13.6	-175	-69.3	-7	0	0	0	114.1	S639 N643	S639-N641 PolarHBondContact O-N 3.22Å; N641-N643 VanDerWaalsContact C-N 3.31Å
642	R	43.7	Very low	43.9	Very low	136 Å²	136	122.9 Å²	122.9	51%	0.513	66%	0.659	S	S	.	*	G	3₁₀ helix	trans	-78.2	-13.3	172.6	-64.5	-177.9	66.3	100.8	3.5	113.3	S639 S640 L753	S639-R642 PolarHBondContact O-N 3.09Å; S640-R642 PolarHBondContact O-N 3.31Å; R642-L753 VanDerWaalsContact CZ-O 3.24Å; R642-L753 PolarHBondContact NH1-O 3.12Å; R642-L753 PolarHBondContact NH2-O 2.87Å
643	N	44	Very low	44.7	Very low	103 Å²	103	117 Å²	117	55%	0.551	64%	0.637	S	S	*	*	S	Bend	trans	-98.5	-5.9	-172	-61.3	-36.9	0	0	0	114.6	S639 S640 N641 R646	S639-N643 PolarHBondContact O-ND2 3.49Å; S640-N643 WeakPolarHBondContact O-CB 3.46Å; S640-N643 PolarHBondContact O-N 2.79Å; N641-N643 VanDerWaalsContact C-N 3.31Å; N643-R646 WeakPolarHBondContact O-CG 3.24Å
644	L	43.6	Very low	46.4	Very low	97 Å²	97	118.4 Å²	118.4	51%	0.508	63%	0.634	S	S	.	*	S	Bend	trans	-74.9	-29.5	179	-76.8	166.9	0	0	0	112.7	R646	L644-R646 PolarHBondContact O-N 3.39Å
645	F	45.2	Very low	47.9	Very low	131 Å²	131	109.6 Å²	109.6	58%	0.575	60%	0.595	S	S	*	*	S	Bend	trans	-81.7	84.4	157.7	-86.3	-96.1	0	0	0	109.2	F616 A647	F616-F645 HydrophobicContact CD2-CE2 4.38Å; F616-F645 HydrophobicContact CE2-CD2 4.24Å; F616-F645 AromaticContact CE2-CE2 3.88Å; F616-F645 HydrophobicContact CE2-CE2 3.88Å; F616-F645 HydrophobicContact CZ-CD2 4.42Å; F616-F645 AromaticContact CZ-CE2 4Å; F616-F645 HydrophobicContact CZ-CE2 4Å; F645-A647 PolarHBondContact O-N 3.07Å
646	R	45.4	Very low	50.1	Low	203 Å²	203	112.1 Å²	112.1	77%	0.766	59%	0.592	S	S	*	*			trans	-68.7	76.5	166.8	-76.4	-163.3	176.2	-157	1	110.8	N643 L644 T649	N643-R646 WeakPolarHBondContact O-CG 3.24Å; L644-R646 PolarHBondContact O-N 3.39Å; R646-T649 HydrophobicContact CB-CG2 4.17Å
647	A	46.7	Very low	51.9	Low	40 Å²	40	106.1 Å²	106.1	33%	0.331	57%	0.573	S	S	.	*			trans	-70.2	-37.6	171.8	0	0	0	0	0	111.5	F645 T649 A652 I750	F645-A647 PolarHBondContact O-N 3.07Å; A647-T649 PolarHBondContact O-N 3.45Å; A647-A652 VanDerWaalsContact O-CB 3.3Å; A647-A652 WeakPolarHBondContact O-CB 3.21Å; A647-I750 HydrophobicContact CB-CD1 3.52Å; A647-I750 HydrophobicContact CB-CG1 4.12Å
648	D	47.3	Very low	54.1	Low	158 Å²	158	100.4 Å²	100.4	85%	0.845	54%	0.536	S	S	*	.			trans	-81.2	98.2	166	-93.2	-48.6	0	0	0	110.7
649	T	54.3	Low	56.3	Low	55 Å²	55	99.9 Å²	99.9	34%	0.337	53%	0.526	S	S	.	.			trans	-123.6	151.7	151.8	66.3	0	0	0	0	107.5	R646 A647 H651 A652	R646-T649 HydrophobicContact CB-CG2 4.17Å; A647-T649 PolarHBondContact O-N 3.45Å; T649-H651 PolarHBondContact O-N 3.37Å; T649-A652 WeakPolarHBondContact O-CB 3.46Å; T649-A652 PolarHBondContact O-N 3.49Å; T649-A652 PolarHBondContact OG1-N 3.08Å
650	P	53.6	Low	58.3	Low	134 Å²	134	101 Å²	101	87%	0.87	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-0.1	175.7	24.7	-32.4	0	0	0	114
651	H	49.4	Very low	60.5	Low	170 Å²	170	98.9 Å²	98.9	79%	0.787	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	-0.7	176.3	-61.6	56.6	0	0	0	112.3	T649 P653	T649-H651 PolarHBondContact O-N 3.37Å; H651-P653 WeakPolarHBondContact O-CD 3.42Å
652	A	56.8	Low	62.8	Low	34 Å²	34	93.3 Å²	93.3	28%	0.281	48%	0.482	S	S	.	.	S	Bend	trans	-71.4	127.2	178.6	0	0	0	0	0	110.8	A647 T649 K654	A647-A652 VanDerWaalsContact O-CB 3.3Å; A647-A652 WeakPolarHBondContact O-CB 3.21Å; T649-A652 WeakPolarHBondContact O-CB 3.46Å; T649-A652 PolarHBondContact O-N 3.49Å; T649-A652 PolarHBondContact OG1-N 3.08Å; A652-K654 PolarHBondContact O-N 2.92Å; A652-K654 VanDerWaalsContact O-N 3.15Å
653	P	59.7	Low	64.9	Low	72 Å²	72	90.5 Å²	90.5	47%	0.468	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-63.6	117.7	177.7	-21	30.5	0	0	0	111.7	H651 L658 R746	H651-P653 WeakPolarHBondContact O-CD 3.42Å; P653-L658 HydrophobicContact CB-CD1 3.95Å; P653-R746 PolarHBondContact O-NH2 3.24Å
654	K	70.2	Confident	67	Low	151 Å²	151	86.4 Å²	86.4	66%	0.657	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-78.3	139.1	172.6	-64.2	-174.3	177.9	-171.6	0	110	A652 P657 L658	A652-K654 PolarHBondContact O-N 2.92Å; A652-K654 VanDerWaalsContact O-N 3.15Å; K654-P657 HydrophobicContact CB-CG 4.21Å; K654-L658 WeakPolarHBondContact O-CD1 3.39Å; K654-L658 WeakPolarHBondContact O-CG 3.22Å
655	A	74.3	Confident	69.2	Low	10 Å²	10	83.3 Å²	83.3	8%	0.083	44%	0.442	C	S	.	.	H	α-helix	trans	-65.4	-41.6	-179.1	0	0	0	0	0	113.5	L658 L659 L740 A743 V744	A655-L658 WeakPolarHBondContact O-CB 3.26Å; A655-L658 PolarHBondContact O-N 2.76Å; A655-L658 VanDerWaalsContact O-N 3.08Å; A655-L659 PolarHBondContact O-N 2.85Å; A655-L740 HydrophobicContact CB-CD1 3.64Å; A655-L740 WeakPolarHBondContact O-CD1 3.49Å; A655-A743 HydrophobicContact CB-CB 4.04Å; A655-V744 HydrophobicContact CB-CG2 4.19Å
656	E	78.1	Confident	71.3	Confident	138 Å²	138	80.2 Å²	80.2	65%	0.645	43%	0.434	S	S	*	.	H	α-helix	trans	-55.4	-53.1	-176.8	162.4	-169.9	-139.4	0	0	113.6	L658 L659 L660	E656-L658 VanDerWaalsContact C-N 3.27Å; E656-L658 PolarHBondContact O-N 3.39Å; E656-L659 PolarHBondContact O-N 2.8Å; E656-L660 HydrophobicContact CG-CD1 4.11Å; E656-L660 WeakPolarHBondContact O-CG 3.35Å; E656-L660 PolarHBondContact O-N 3.03Å
657	P	81.5	Confident	73.4	Confident	69 Å²	69	75.2 Å²	75.2	45%	0.448	42%	0.422	S	S	.	.	H	α-helix	trans	-58.4	-33.6	174	-28.2	35.7	0	0	0	114.6	K654 A661	K654-P657 HydrophobicContact CB-CG 4.21Å; P657-A661 VanDerWaalsContact O-CB 3.27Å; P657-A661 WeakPolarHBondContact O-CB 3.4Å; P657-A661 PolarHBondContact O-N 3.5Å
658	L	82.3	Confident	75.3	Confident	26 Å²	26	77.8 Å²	77.8	14%	0.136	43%	0.426	C	S	.	.	H	α-helix	trans	-73.9	-37.4	178.8	-61.2	169.5	0	0	0	111.4	P653 K654 A655 E656 A661 A662 Q736 A739 L740 A743	P653-L658 HydrophobicContact CB-CD1 3.95Å; K654-L658 WeakPolarHBondContact O-CD1 3.39Å; K654-L658 WeakPolarHBondContact O-CG 3.22Å; A655-L658 WeakPolarHBondContact O-CB 3.26Å; A655-L658 PolarHBondContact O-N 2.76Å; A655-L658 VanDerWaalsContact O-N 3.08Å; E656-L658 VanDerWaalsContact C-N 3.27Å; E656-L658 PolarHBondContact O-N 3.39Å; L658-A661 PolarHBondContact O-N 3.26Å; L658-A662 WeakPolarHBondContact O-CB 3.3Å; L658-A662 PolarHBondContact O-N 2.82Å; L658-Q736 VanDerWaalsContact CD2-OE1 3.27Å; L658-A739 HydrophobicContact CD1-CB 3.99Å; L658-A739 HydrophobicContact CD2-CB 4.03Å; L658-L740 HydrophobicContact CB-CB 4.13Å; L658-L740 HydrophobicContact CB-CD1 4.37Å; L658-A743 HydrophobicContact CD1-CB 4.09Å
659	L	82.6	Confident	77.1	Confident	84 Å²	84	71.3 Å²	71.3	44%	0.44	39%	0.391	S	S	.	.	H	α-helix	trans	-65.4	-45.7	172.5	176.8	59.9	0	0	0	111.1	A655 E656 A661 A662 I663 L740	A655-L659 PolarHBondContact O-N 2.85Å; E656-L659 PolarHBondContact O-N 2.8Å; L659-A661 VanDerWaalsContact C-N 3.33Å; L659-A661 PolarHBondContact O-N 3.09Å; L659-A662 PolarHBondContact O-N 3.42Å; L659-I663 HydrophobicContact CD1-CD1 3.99Å; L659-I663 HydrophobicContact CD1-CG1 4.28Å; L659-I663 HydrophobicContact CG-CD1 3.95Å; L659-I663 VanDerWaalsContact O-CG1 3.28Å; L659-I663 WeakPolarHBondContact O-CG1 3.42Å; L659-I663 PolarHBondContact O-N 2.96Å; L659-L740 HydrophobicContact CB-CD1 4.1Å; L659-L740 HydrophobicContact CB-CD2 4.08Å; L659-L740 HydrophobicContact CD1-CD2 3.96Å
660	L	87	Confident	78.5	Confident	110 Å²	110	70.9 Å²	70.9	58%	0.576	39%	0.393	S	S	*	.	H	α-helix	trans	-62.9	-38.4	175.3	-68.9	171.2	0	0	0	111.9	E656 G664	E656-L660 HydrophobicContact CG-CD1 4.11Å; E656-L660 WeakPolarHBondContact O-CG 3.35Å; E656-L660 PolarHBondContact O-N 3.03Å; L660-G664 PolarHBondContact O-N 3.07Å
661	A	86.4	Confident	80	Confident	34 Å²	34	66.9 Å²	66.9	28%	0.281	37%	0.371	S	S	.	.	H	α-helix	trans	-67.9	-38.9	173.7	0	0	0	0	0	112.7	P657 L658 L659 G664 E665 Q736	P657-A661 VanDerWaalsContact O-CB 3.27Å; P657-A661 WeakPolarHBondContact O-CB 3.4Å; P657-A661 PolarHBondContact O-N 3.5Å; L658-A661 PolarHBondContact O-N 3.26Å; L659-A661 VanDerWaalsContact C-N 3.33Å; L659-A661 PolarHBondContact O-N 3.09Å; A661-G664 PolarHBondContact O-N 2.95Å; A661-E665 PolarHBondContact O-N 2.83Å; A661-Q736 HydrophobicContact CB-CG 3.95Å
662	A	85.8	Confident	81.6	Confident	4 Å²	4	60.5 Å²	60.5	3%	0.033	34%	0.343	C	S	.	.	H	α-helix	trans	-63.7	-48.4	174.5	0	0	0	0	0	111.5	L658 L659 G664 E665 V666 L733 Q736 L737	L658-A662 WeakPolarHBondContact O-CB 3.3Å; L658-A662 PolarHBondContact O-N 2.82Å; L659-A662 PolarHBondContact O-N 3.42Å; A662-G664 VanDerWaalsContact C-N 3.3Å; A662-G664 PolarHBondContact O-N 2.83Å; A662-E665 PolarHBondContact O-N 2.87Å; A662-E665 VanDerWaalsContact O-N 3.16Å; A662-V666 WeakPolarHBondContact O-CG2 3.47Å; A662-V666 PolarHBondContact O-N 2.96Å; A662-L733 HydrophobicContact CB-CD1 3.98Å; A662-L733 WeakPolarHBondContact O-CD1 3.33Å; A662-Q736 HydrophobicContact CB-CB 3.84Å; A662-L737 HydrophobicContact CB-CD2 4.05Å; A662-L737 HydrophobicContact CB-CG 4.42Å
663	I	88.1	Confident	82.7	Confident	77 Å²	77	63.5 Å²	63.5	40%	0.395	35%	0.354	S	S	.	.	H	α-helix	trans	-56	-47.4	173.7	-68	164.2	0	0	0	109.8	L659 E665 V666 D667	L659-I663 HydrophobicContact CD1-CD1 3.99Å; L659-I663 HydrophobicContact CD1-CG1 4.28Å; L659-I663 HydrophobicContact CG-CD1 3.95Å; L659-I663 VanDerWaalsContact O-CG1 3.28Å; L659-I663 WeakPolarHBondContact O-CG1 3.42Å; L659-I663 PolarHBondContact O-N 2.96Å; I663-E665 VanDerWaalsContact C-N 3.3Å; I663-E665 PolarHBondContact O-N 3.33Å; I663-V666 CarbonylContact O-C 3.5Å; I663-V666 WeakPolarHBondContact O-CA 3.49Å; I663-V666 WeakPolarHBondContact O-CB 3.32Å; I663-V666 PolarHBondContact O-N 3.37Å; I663-D667 PolarHBondContact O-N 3.26Å
664	G	89.6	Confident	83.4	Confident	18 Å²	18	63.2 Å²	63.2	19%	0.186	35%	0.353	C	S	.	.	H	α-helix	trans	-61.1	-29.1	178	0	0	0	0	0	115.1	L660 A661 A662 K668	L660-G664 PolarHBondContact O-N 3.07Å; A661-G664 PolarHBondContact O-N 2.95Å; A662-G664 VanDerWaalsContact C-N 3.3Å; A662-G664 PolarHBondContact O-N 2.83Å; G664-K668 WeakPolarHBondContact O-CD 3.38Å; G664-K668 WeakPolarHBondContact O-CE 3.32Å; G664-K668 WeakPolarHBondContact O-CG 3.29Å; G664-K668 PolarHBondContact O-N 2.58Å
665	E	89.8	Confident	83	Confident	31 Å²	31	60.6 Å²	60.6	15%	0.145	35%	0.346	C	S	.	.	H	α-helix	trans	-81.4	-29.9	170.3	-66.2	-53.3	121.2	0	0	112.8	A661 A662 I663 K668 L669 R729 L733	A661-E665 PolarHBondContact O-N 2.83Å; A662-E665 PolarHBondContact O-N 2.87Å; A662-E665 VanDerWaalsContact O-N 3.16Å; I663-E665 VanDerWaalsContact C-N 3.3Å; I663-E665 PolarHBondContact O-N 3.33Å; E665-K668 WeakPolarHBondContact OE1-CD 3.14Å; E665-K668 IonicContact OE1-NZ 2.65Å; E665-K668 PolarHBondContact OE1-NZ 2.8Å; E665-L669 VanDerWaalsContact O-CB 3.25Å; E665-L669 WeakPolarHBondContact O-CB 3.37Å; E665-L669 PolarHBondContact O-N 3.39Å; E665-R729 IonicContact OE1-NH1 3.99Å; E665-R729 WeakPolarHBondContact OE2-CD 3.14Å; E665-R729 IonicContact OE2-CZ 3.83Å; E665-R729 IonicContact OE2-NE 2.76Å; E665-R729 IonicContact OE2-NH1 2.81Å; E665-R729 PolarHBondContact OE2-NH1 3.03Å; E665-L733 HydrophobicContact CB-CB 4.17Å
666	V	88.5	Confident	82.2	Confident	67 Å²	67	62.4 Å²	62.4	41%	0.406	36%	0.357	S	S	.	.	H	α-helix	trans	-63.1	-45.3	169.6	174.3	0	0	0	0	110.8	A662 I663 K668 L669 A670 L733	A662-V666 WeakPolarHBondContact O-CG2 3.47Å; A662-V666 PolarHBondContact O-N 2.96Å; I663-V666 CarbonylContact O-C 3.5Å; I663-V666 WeakPolarHBondContact O-CA 3.49Å; I663-V666 WeakPolarHBondContact O-CB 3.32Å; I663-V666 PolarHBondContact O-N 3.37Å; V666-K668 PolarHBondContact O-N 3.33Å; V666-L669 PolarHBondContact O-N 2.95Å; V666-A670 WeakPolarHBondContact O-CB 3.34Å; V666-A670 PolarHBondContact O-N 3.33Å; V666-L733 HydrophobicContact CG2-CD1 3.69Å; V666-L733 HydrophobicContact CG2-CD2 3.75Å; V666-L733 HydrophobicContact CG2-CG 4.38Å
667	D	88.9	Confident	80.9	Confident	98 Å²	98	59.7 Å²	59.7	52%	0.524	35%	0.353	S	S	.	.	H	α-helix	trans	-63.4	-42.4	179.9	-67.3	-30.4	0	0	0	111.6	I663 A670 A671	I663-D667 PolarHBondContact O-N 3.26Å; D667-A670 PolarHBondContact O-N 3.22Å; D667-A671 WeakPolarHBondContact O-CB 3.21Å; D667-A671 PolarHBondContact O-N 3.15Å
668	K	86.7	Confident	79.3	Confident	94 Å²	94	61 Å²	61	41%	0.409	36%	0.356	S	S	.	.	H	α-helix	trans	-63.6	-42.6	174.3	-68.9	162.9	-154.4	165	0	111.7	G664 E665 V666 A671 L672	G664-K668 WeakPolarHBondContact O-CD 3.38Å; G664-K668 WeakPolarHBondContact O-CE 3.32Å; G664-K668 WeakPolarHBondContact O-CG 3.29Å; G664-K668 PolarHBondContact O-N 2.58Å; E665-K668 WeakPolarHBondContact OE1-CD 3.14Å; E665-K668 IonicContact OE1-NZ 2.65Å; E665-K668 PolarHBondContact OE1-NZ 2.8Å; V666-K668 PolarHBondContact O-N 3.33Å; K668-A671 PolarHBondContact O-N 3.38Å; K668-L672 VanDerWaalsContact O-CG 3.31Å; K668-L672 WeakPolarHBondContact O-CG 3.26Å; K668-L672 PolarHBondContact O-N 2.96Å
669	L	86.4	Confident	77.6	Confident	22 Å²	22	66.2 Å²	66.2	12%	0.115	38%	0.38	C	S	.	.	H	α-helix	trans	-64.3	-41.6	176	-178.2	65.1	0	0	0	111.4	E665 V666 L672 L673 V726 R729 L730	E665-L669 VanDerWaalsContact O-CB 3.25Å; E665-L669 WeakPolarHBondContact O-CB 3.37Å; E665-L669 PolarHBondContact O-N 3.39Å; V666-L669 PolarHBondContact O-N 2.95Å; L669-L672 PolarHBondContact O-N 3.34Å; L669-L673 HydrophobicContact CD1-CD1 4.19Å; L669-L673 HydrophobicContact CD1-CG 4.48Å; L669-L673 HydrophobicContact CG-CD1 4.05Å; L669-L673 WeakPolarHBondContact O-CB 3.38Å; L669-L673 VanDerWaalsContact O-CG 3.24Å; L669-L673 WeakPolarHBondContact O-CG 3.5Å; L669-L673 PolarHBondContact O-N 3.32Å; L669-V726 HydrophobicContact CD1-CB 4.42Å; L669-V726 HydrophobicContact CD1-CG1 4.01Å; L669-V726 HydrophobicContact CD1-CG2 4.24Å; L669-R729 HydrophobicContact CB-CB 4.37Å; L669-R729 HydrophobicContact CD1-CB 4.2Å; L669-L730 HydrophobicContact CD1-CG 4.48Å; L669-L730 HydrophobicContact CD2-CD2 3.7Å; L669-L730 HydrophobicContact CD2-CG 4.23Å
670	A	83.3	Confident	76	Confident	45 Å²	45	70.6 Å²	70.6	37%	0.372	40%	0.395	S	S	.	.	H	α-helix	trans	-64.8	-40.2	176.3	0	0	0	0	0	112	V666 D667 S674	V666-A670 WeakPolarHBondContact O-CB 3.34Å; V666-A670 PolarHBondContact O-N 3.33Å; D667-A670 PolarHBondContact O-N 3.22Å; A670-S674 VanDerWaalsContact O-CB 3.25Å; A670-S674 WeakPolarHBondContact O-CB 3.48Å; A670-S674 PolarHBondContact O-N 3.47Å; A670-S674 PolarHBondContact O-OG 3.04Å
671	A	83.9	Confident	73.8	Confident	50 Å²	50	69.4 Å²	69.4	41%	0.413	40%	0.396	S	S	.	.	H	α-helix	trans	-61.8	-52.2	174.1	0	0	0	0	0	111.8	D667 K668 L673 S674 D675	D667-A671 WeakPolarHBondContact O-CB 3.21Å; D667-A671 PolarHBondContact O-N 3.15Å; K668-A671 PolarHBondContact O-N 3.38Å; A671-L673 VanDerWaalsContact C-N 3.3Å; A671-L673 PolarHBondContact O-N 2.94Å; A671-S674 PolarHBondContact O-N 3.36Å; A671-D675 PolarHBondContact O-N 3.19Å
672	L	83.5	Confident	71.5	Confident	37 Å²	37	72.9 Å²	72.9	19%	0.194	42%	0.418	C	S	.	.	H	α-helix	trans	-55.8	-42.2	177.7	-72.7	164.4	0	0	0	112.5	K668 L669 T676 E725 R729	K668-L672 VanDerWaalsContact O-CG 3.31Å; K668-L672 WeakPolarHBondContact O-CG 3.26Å; K668-L672 PolarHBondContact O-N 2.96Å; L669-L672 PolarHBondContact O-N 3.34Å; L672-T676 PolarHBondContact O-N 3.35Å; L672-T676 PolarHBondContact O-OG1 3.16Å; L672-E725 HydrophobicContact CD1-CG 3.88Å; L672-R729 HydrophobicContact CD1-CG 3.83Å
673	L	79.4	Confident	69.5	Low	97 Å²	97	78.9 Å²	78.9	51%	0.508	45%	0.448	S	S	.	.	H	α-helix	trans	-72.2	-30.3	176.9	-67.2	171.6	0	0	0	112.7	L669 A671 S677	L669-L673 HydrophobicContact CD1-CD1 4.19Å; L669-L673 HydrophobicContact CD1-CG 4.48Å; L669-L673 HydrophobicContact CG-CD1 4.05Å; L669-L673 WeakPolarHBondContact O-CB 3.38Å; L669-L673 VanDerWaalsContact O-CG 3.24Å; L669-L673 WeakPolarHBondContact O-CG 3.5Å; L669-L673 PolarHBondContact O-N 3.32Å; A671-L673 VanDerWaalsContact C-N 3.3Å; A671-L673 PolarHBondContact O-N 2.94Å; L673-S677 PolarHBondContact O-N 3.25Å
674	S	74.3	Confident	67.4	Low	65 Å²	65	80.8 Å²	80.8	46%	0.455	46%	0.464	S	S	.	.	H	α-helix	trans	-76.2	-42	178.9	-61.4	0	0	0	0	112.7	A670 A671 T676 S677 N678	A670-S674 VanDerWaalsContact O-CB 3.25Å; A670-S674 WeakPolarHBondContact O-CB 3.48Å; A670-S674 PolarHBondContact O-N 3.47Å; A670-S674 PolarHBondContact O-OG 3.04Å; A671-S674 PolarHBondContact O-N 3.36Å; S674-T676 VanDerWaalsContact C-N 3.25Å; S674-T676 PolarHBondContact O-N 2.89Å; S674-S677 WeakPolarHBondContact O-CA 3.48Å; S674-S677 WeakPolarHBondContact O-CB 3.4Å; S674-S677 PolarHBondContact O-N 3.35Å; S674-N678 PolarHBondContact O-N 3.1Å
675	D	62.4	Low	65.1	Low	96 Å²	96	88.5 Å²	88.5	51%	0.513	50%	0.501	S	S	.	.	H	α-helix	trans	-63.6	-34.1	174.5	-78.3	-26.6	0	0	0	111.9	A671 S677 N678 Q679	A671-D675 PolarHBondContact O-N 3.19Å; D675-S677 PolarHBondContact O-N 3.12Å; D675-N678 PolarHBondContact O-N 3Å; D675-Q679 PolarHBondContact O-N 3.5Å
676	T	58.5	Low	62.4	Low	49 Å²	49	90.7 Å²	90.7	30%	0.301	53%	0.532	S	S	.	.	H	α-helix	trans	-62.1	-22.8	171.1	-55.7	0	0	0	0	112.8	L672 S674	L672-T676 PolarHBondContact O-N 3.35Å; L672-T676 PolarHBondContact O-OG1 3.16Å; S674-T676 VanDerWaalsContact C-N 3.25Å; S674-T676 PolarHBondContact O-N 2.89Å
677	S	49.9	Very low	59.9	Low	80 Å²	80	95 Å²	95	56%	0.559	55%	0.552	S	S	*	*	H	α-helix	trans	-83	-45.5	172.8	-154.3	0	0	0	0	111.5	L673 S674 D675 Q679 K680	L673-S677 PolarHBondContact O-N 3.25Å; S674-S677 WeakPolarHBondContact O-CA 3.48Å; S674-S677 WeakPolarHBondContact O-CB 3.4Å; S674-S677 PolarHBondContact O-N 3.35Å; D675-S677 PolarHBondContact O-N 3.12Å; S677-Q679 VanDerWaalsContact C-N 3.33Å; S677-Q679 PolarHBondContact O-N 2.77Å; S677-K680 WeakPolarHBondContact O-CB 3.49Å; S677-K680 PolarHBondContact O-N 3.42Å; S677-K680 VanDerWaalsContact O-N 3.08Å
678	N	47.8	Very low	57.4	Low	97 Å²	97	98.8 Å²	98.8	52%	0.519	57%	0.567	S	S	.	*	H	α-helix	trans	-63.3	-33.1	-179.4	-70.6	-29	0	0	0	113.4	S674 D675 K680 S681	S674-N678 PolarHBondContact O-N 3.1Å; D675-N678 PolarHBondContact O-N 3Å; N678-K680 PolarHBondContact O-N 3.07Å; N678-S681 PolarHBondContact O-N 3.16Å; N678-S681 PolarHBondContact O-OG 3.01Å
679	Q	47.2	Very low	54.8	Low	136 Å²	136	101 Å²	101	64%	0.636	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	-21.1	175.3	-71.1	-174.6	20	0	0	113.4	D675 S677	D675-Q679 PolarHBondContact O-N 3.5Å; S677-Q679 VanDerWaalsContact C-N 3.33Å; S677-Q679 PolarHBondContact O-N 2.77Å
680	K	47.5	Very low	52.2	Low	175 Å²	175	107.8 Å²	107.8	76%	0.761	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-12.2	178.4	-67.2	175.7	179.9	169.7	0	114	S677 N678	S677-K680 WeakPolarHBondContact O-CB 3.49Å; S677-K680 PolarHBondContact O-N 3.42Å; S677-K680 VanDerWaalsContact O-N 3.08Å; N678-K680 PolarHBondContact O-N 3.07Å
681	S	41.8	Very low	49.7	Very low	86 Å²	86	110.4 Å²	110.4	60%	0.601	63%	0.634	S	S	*	*	S	Bend	trans	-99.5	-4.8	-178.3	57	0	0	0	0	114.8	N678	N678-S681 PolarHBondContact O-N 3.16Å; N678-S681 PolarHBondContact O-OG 3.01Å
682	S	38.8	Very low	47.2	Very low	106 Å²	106	115.5 Å²	115.5	74%	0.741	65%	0.654	S	S	*	*	S	Bend	trans	-93.5	2.9	-173.1	-151.3	0	0	0	0	115.4
683	I	42.8	Very low	44.8	Very low	130 Å²	130	117.6 Å²	117.6	67%	0.667	68%	0.684	S	S	*	*			trans	-108.5	45.7	-173.4	-37.7	-176.7	0	0	0	112.6
684	T	44	Very low	42.4	Very low	117 Å²	117	120.1 Å²	120.1	72%	0.718	70%	0.699	S	S	*	*			trans	-146.4	83.9	167.3	54.1	0	0	0	0	112.6
685	N	40.7	Very low	40.5	Very low	181 Å²	181	121.9 Å²	121.9	97%	0.968	71%	0.711	S	S	*	*			trans	-173.1	119.9	146.1	-99.1	-27.8	0	0	0	110.8
686	G	33.2	Very low	38.9	Very low	77 Å²	77	121.3 Å²	121.3	79%	0.794	73%	0.728	S	S	*	*			trans	155.5	93.5	179.1	0	0	0	0	0	112.7
687	N	36.4	Very low	37.6	Very low	156 Å²	156	125 Å²	125	83%	0.834	76%	0.755	S	S	*	*			trans	-78.2	140.8	172.8	-81	-3.3	0	0	0	111.2
688	Q	36	Very low	36.8	Very low	179 Å²	179	127.6 Å²	127.6	84%	0.836	77%	0.767	S	S	*	*				-173.6	103	124.2	-102.3	166.2	22.5	0	0	112.6
689	D	32.7	Very low	36.1	Very low	141 Å²	141	131 Å²	131	75%	0.754	79%	0.785	S	S	*	*				51.8	151.4	128.7	-57.1	-56.4	0	0	0	125.6
690	I	32.8	Very low	35.6	Very low	163 Å²	163	128.1 Å²	128.1	84%	0.836	79%	0.793	S	S	*	*			trans	79.4	119.2	158.6	-22.1	-176.6	0	0	0	121.4
691	S	30.3	Very low	34.7	Very low	100 Å²	100	124.6 Å²	124.6	70%	0.699	79%	0.79	S	S	*	*			trans	109.5	89.4	136	-129.1	0	0	0	0	122.3
692	N	32.2	Very low	34	Very low	158 Å²	158	130.9 Å²	130.9	85%	0.845	81%	0.807	S	S	*	*				41.6	124.5	125.9	-61.2	-9.8	0	0	0	123.9
693	G	31.8	Very low	33.7	Very low	80 Å²	80	134.3 Å²	134.3	83%	0.825	81%	0.809	S	S	*	*			trans	92.9	147.8	146.7	0	0	0	0	0	117.3
694	D	29.8	Very low	33.1	Very low	151 Å²	151	135.8 Å²	135.8	81%	0.807	82%	0.817	S	S	*	*			cis	-155.1	155	-15.6	-176.4	27.5	0	0	0	110.6
695	S	33.2	Very low	32.6	Very low	102 Å²	102	137.7 Å²	137.7	71%	0.713	82%	0.823	S	S	*	*			trans	31	106.1	157.5	-66.1	0	0	0	0	122.1
696	G	30	Very low	32.2	Very low	84 Å²	84	134.1 Å²	134.1	87%	0.866	80%	0.804	S	S	*	*				96.7	100.6	109.5	0	0	0	0	0	120.9
697	S	31.3	Very low	32.4	Very low	125 Å²	125	135.2 Å²	135.2	87%	0.874	80%	0.799	S	S	*	*				-179.5	154.6	125.6	-170.4	0	0	0	0	110.5
698	V	31.6	Very low	32.7	Very low	135 Å²	135	130.3 Å²	130.3	82%	0.818	78%	0.777	S	S	*	*			trans	-124	121.2	-178.3	176.2	0	0	0	0	110.9
699	N	34	Very low	33.2	Very low	168 Å²	168	127 Å²	127	90%	0.898	77%	0.774	S	S	*	*			trans	-150.5	137.9	150.9	-123.6	-27.1	0	0	0	110.8	S701	N699-S701 PolarHBondContact O-N 2.78Å
700	G	36.8	Very low	33.7	Very low	77 Å²	77	127.5 Å²	127.5	79%	0.794	77%	0.769	S	S	*	*			trans	-82.4	110.2	-161.9	0	0	0	0	0	114.9
701	S	28.2	Very low	34.7	Very low	101 Å²	101	123.3 Å²	123.3	71%	0.706	75%	0.749	S	S	*	*			trans	-140.2	111.8	159.7	-171.2	0	0	0	0	109.4	N699 K703	N699-S701 PolarHBondContact O-N 2.78Å; S701-K703 VanDerWaalsContact C-N 3.32Å; S701-K703 PolarHBondContact O-N 3.4Å
702	F	27.5	Very low	35.6	Very low	218 Å²	218	130.8 Å²	130.8	96%	0.956	76%	0.761	S	S	*	*			trans	-74.5	82.7	179.8	-91.6	-87.1	0	0	0	110.8	L704	F702-L704 PolarHBondContact O-N 2.84Å
703	K	32.6	Very low	36.8	Very low	177 Å²	177	130.1 Å²	130.1	77%	0.77	76%	0.758	S	S	*	*			trans	-77.8	113.7	163.6	-71.8	-173.2	177	-178.2	0	109.5	S701 N705	S701-K703 VanDerWaalsContact C-N 3.32Å; S701-K703 PolarHBondContact O-N 3.4Å; K703-N705 PolarHBondContact O-N 3.17Å
704	L	30.2	Very low	37.7	Very low	162 Å²	162	128.1 Å²	128.1	85%	0.848	74%	0.737	S	S	*	*			trans	-71	111.3	166	-80.6	159.8	0	0	0	109.1	F702 N706	F702-L704 PolarHBondContact O-N 2.84Å; L704-N706 PolarHBondContact O-N 2.85Å; L704-N706 VanDerWaalsContact O-N 3.13Å
705	N	32.7	Very low	38.7	Very low	156 Å²	156	126 Å²	126	83%	0.834	73%	0.726	S	S	*	*			trans	-76.9	91.4	169	-86.5	-4.9	0	0	0	109.4	K703 S707	K703-N705 PolarHBondContact O-N 3.17Å; N705-S707 PolarHBondContact O-N 3.35Å
706	N	33.5	Very low	39.8	Very low	107 Å²	107	128.6 Å²	128.6	57%	0.572	73%	0.727	S	S	*	*			trans	-67.2	115.8	165.2	-91.2	-2.5	0	0	0	109.3	L704 S708	L704-N706 PolarHBondContact O-N 2.85Å; L704-N706 VanDerWaalsContact O-N 3.13Å; N706-S708 PolarHBondContact O-N 3.31Å
707	S	37.4	Very low	40.8	Very low	99 Å²	99	130.1 Å²	130.1	69%	0.692	71%	0.714	S	S	*	*			trans	-74.8	73.4	174	55.2	0	0	0	0	111	N705 S709	N705-S707 PolarHBondContact O-N 3.35Å; S707-S709 PolarHBondContact O-N 2.84Å
708	S	41.8	Very low	41.7	Very low	53 Å²	53	131 Å²	131	37%	0.371	71%	0.705	S	S	.	*			trans	-67.4	114	-179.9	62.5	0	0	0	0	111.6	N706 K710	N706-S708 PolarHBondContact O-N 3.31Å; S708-K710 PolarHBondContact O-N 2.9Å; S708-K710 VanDerWaalsContact O-N 3.16Å
709	S	47.1	Very low	42.4	Very low	111 Å²	111	130.6 Å²	130.6	78%	0.776	69%	0.694	S	S	*	*			trans	-62.5	110.3	162.3	51.6	0	0	0	0	109.1	S707	S707-S709 PolarHBondContact O-N 2.84Å
710	K	42	Very low	43.1	Very low	150 Å²	150	133.6 Å²	133.6	65%	0.652	69%	0.693	S	S	*	*			trans	-82	143.5	178.9	-66.1	-178.4	178.6	-177.7	0	110.8	S708	S708-K710 PolarHBondContact O-N 2.9Å; S708-K710 VanDerWaalsContact O-N 3.16Å
711	D	53.8	Low	44.3	Very low	75 Å²	75	134.2 Å²	134.2	40%	0.401	68%	0.681	S	S	.	*			trans	-70.3	172.3	159.4	72.7	-15.6	0	0	0	110.5	N713 G714 N715	D711-N713 PolarHBondContact O-N 3.04Å; D711-N713 VanDerWaalsContact O-N 3.12Å; D711-N713 PolarHBondContact OD1-N 3.04Å; D711-G714 PolarHBondContact O-N 3.38Å; D711-G714 PolarHBondContact OD1-N 2.82Å; D711-N715 PolarHBondContact OD1-N 2.76Å; D711-N715 VanDerWaalsContact OD1-N 3.07Å
712	R	51.1	Low	46.2	Very low	257 Å²	257	132.1 Å²	132.1	97%	0.97	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	-4.7	-179.2	-80	-176.1	168.7	179.6	-3.9	114.5
713	N	55.7	Low	48.2	Very low	144 Å²	144	126.9 Å²	126.9	77%	0.77	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.1	-4.8	173.7	-77.8	-2.5	0	0	0	113.9	D711	D711-N713 PolarHBondContact O-N 3.04Å; D711-N713 VanDerWaalsContact O-N 3.12Å; D711-N713 PolarHBondContact OD1-N 3.04Å
714	G	52	Low	50.2	Low	38 Å²	38	123.5 Å²	123.5	39%	0.392	63%	0.631	S	S	.	*			trans	86	14.2	166.6	0	0	0	0	0	116.8	D711	D711-G714 PolarHBondContact O-N 3.38Å; D711-G714 PolarHBondContact OD1-N 2.82Å
715	N	50.8	Low	52.4	Low	106 Å²	106	119.2 Å²	119.2	57%	0.567	61%	0.606	S	S	*	*			trans	-86.8	146.7	-178.8	-79.9	-41.6	0	0	0	112.8	D711 L717	D711-N715 PolarHBondContact OD1-N 2.76Å; D711-N715 VanDerWaalsContact OD1-N 3.07Å; N715-L717 HydrophobicContact CB-CD1 4.35Å; N715-L717 HydrophobicContact CB-CG 4.33Å
716	Q	55.1	Low	54.6	Low	158 Å²	158	113 Å²	113	74%	0.738	57%	0.574	S	S	*	*			trans	-90	111	169.3	-72.8	-178.6	-27.1	0	0	109.8
717	L	51.7	Low	56.7	Low	115 Å²	115	114.9 Å²	114.9	60%	0.602	57%	0.573	S	S	*	*			trans	-115.9	-7.8	-169.2	-84.9	164.6	0	0	0	116.3	N715 T721	N715-L717 HydrophobicContact CB-CD1 4.35Å; N715-L717 HydrophobicContact CB-CG 4.33Å; L717-T721 PolarHBondContact O-OG1 2.79Å
718	Q	49.8	Very low	58.8	Low	143 Å²	143	116.4 Å²	116.4	67%	0.668	57%	0.569	S	S	*	*	S	Bend	trans	-88.6	-32.7	-169.7	-136.3	76.4	31.4	0	0	115.6	T721	Q718-T721 PolarHBondContact O-OG1 2.92Å
719	E	47	Very low	60.8	Low	127 Å²	127	116.5 Å²	116.5	59%	0.593	56%	0.562	S	S	*	*	H	α-helix	trans	-95.1	-23.6	-161.6	-159.8	164.4	-138.3	0	0	113.9	N723	E719-N723 PolarHBondContact O-ND2 2.85Å
720	R	49.2	Very low	62.4	Low	232 Å²	232	115.5 Å²	115.5	88%	0.875	55%	0.547	S	S	*	.	H	α-helix	trans	-76	-39	175	-100.7	-177	170.6	178.1	-3.6	113	E724	R720-E724 PolarHBondContact O-N 3.19Å
721	T	61.9	Low	64.2	Low	89 Å²	89	112 Å²	112	55%	0.546	54%	0.538	S	S	.	.	H	α-helix	trans	-65.7	-44.7	-179.6	37.5	0	0	0	0	111.9	L717 Q718 N723 E724 E725	L717-T721 PolarHBondContact O-OG1 2.79Å; Q718-T721 PolarHBondContact O-OG1 2.92Å; T721-N723 VanDerWaalsContact C-N 3.33Å; T721-N723 PolarHBondContact O-N 2.98Å; T721-E724 PolarHBondContact O-N 3.42Å; T721-E725 PolarHBondContact O-N 3.03Å
722	L	67.4	Low	65.4	Low	57 Å²	57	109.6 Å²	109.6	30%	0.298	53%	0.531	S	S	.	.	H	α-helix	trans	-61.4	-40.4	178.8	-147.7	171.2	0	0	0	111.8	E725 V726	L722-E725 PolarHBondContact O-N 3.42Å; L722-V726 HydrophobicContact CD2-CG2 3.85Å; L722-V726 WeakPolarHBondContact O-CB 3.5Å; L722-V726 WeakPolarHBondContact O-CG2 3.44Å; L722-V726 PolarHBondContact O-N 3.45Å
723	N	69.9	Low	67	Low	108 Å²	108	98.4 Å²	98.4	58%	0.578	49%	0.49	S	S	*	.	H	α-helix	trans	-66.6	-40.3	175.7	-82.3	-80.4	0	0	0	112.9	E719 T721 R727	E719-N723 PolarHBondContact O-ND2 2.85Å; T721-N723 VanDerWaalsContact C-N 3.33Å; T721-N723 PolarHBondContact O-N 2.98Å; N723-R727 VanDerWaalsContact O-CB 3.27Å; N723-R727 WeakPolarHBondContact O-CB 3.38Å; N723-R727 PolarHBondContact O-N 3.38Å
724	E	73.9	Confident	68	Low	107 Å²	107	94.1 Å²	94.1	50%	0.5	47%	0.471	S	S	.	.	H	α-helix	trans	-70.5	-36.6	176.3	-166.6	60.5	-150.1	0	0	111.6	R720 T721 R727 Q728	R720-E724 PolarHBondContact O-N 3.19Å; T721-E724 PolarHBondContact O-N 3.42Å; E724-R727 WeakPolarHBondContact O-CB 3.48Å; E724-R727 PolarHBondContact O-N 2.85Å; E724-R727 IonicContact OE1-NE 3.47Å; E724-R727 PolarHBondContact OE1-NE 3.33Å; E724-R727 VanDerWaalsContact OE1-NE 3.14Å; E724-R727 WeakPolarHBondContact OE2-CD 3.49Å; E724-R727 IonicContact OE2-NE 2.73Å; E724-Q728 WeakPolarHBondContact O-CB 3.41Å; E724-Q728 PolarHBondContact O-N 3.09Å
725	E	77.4	Confident	69.2	Low	71 Å²	71	96.4 Å²	96.4	33%	0.332	48%	0.478	S	S	.	.	H	α-helix	trans	-66.2	-46.7	174.3	-174.5	168.4	-170.4	0	0	111.5	L672 T721 L722 R727 Q728 R729	L672-E725 HydrophobicContact CD1-CG 3.88Å; T721-E725 PolarHBondContact O-N 3.03Å; L722-E725 PolarHBondContact O-N 3.42Å; E725-R727 PolarHBondContact O-N 3.44Å; E725-Q728 CarbonylContact O-C 3.56Å; E725-Q728 WeakPolarHBondContact O-CA 3.39Å; E725-Q728 WeakPolarHBondContact O-CB 3.41Å; E725-Q728 PolarHBondContact O-N 3.36Å; E725-R729 HydrophobicContact CG-CG 4.35Å; E725-R729 WeakPolarHBondContact O-CG 3.4Å; E725-R729 PolarHBondContact O-N 2.93Å; E725-R729 IonicContact OE1-CZ 3.98Å; E725-R729 IonicContact OE1-NE 2.63Å; E725-R729 PolarHBondContact OE1-NE 3.11Å; E725-R729 IonicContact OE1-NH2 3.79Å; E725-R729 PolarHBondContact OE1-NH2 2.93Å
726	V	78.5	Confident	70.7	Confident	27 Å²	27	94 Å²	94	16%	0.164	46%	0.463	C	S	.	.	H	α-helix	trans	-55	-43	173.7	162	0	0	0	0	111.2	L669 L722 R729 L730	L669-V726 HydrophobicContact CD1-CB 4.42Å; L669-V726 HydrophobicContact CD1-CG1 4.01Å; L669-V726 HydrophobicContact CD1-CG2 4.24Å; L722-V726 HydrophobicContact CD2-CG2 3.85Å; L722-V726 WeakPolarHBondContact O-CB 3.5Å; L722-V726 WeakPolarHBondContact O-CG2 3.44Å; L722-V726 PolarHBondContact O-N 3.45Å; V726-R729 PolarHBondContact O-N 2.89Å; V726-L730 HydrophobicContact CG1-CD1 4Å; V726-L730 WeakPolarHBondContact O-CB 3.33Å; V726-L730 VanDerWaalsContact O-CG 3.3Å; V726-L730 WeakPolarHBondContact O-CG 3.39Å; V726-L730 PolarHBondContact O-N 2.95Å
727	R	76.8	Confident	71.7	Confident	146 Å²	146	90.4 Å²	90.4	55%	0.551	45%	0.448	S	S	*	.	H	α-helix	trans	-62.8	-42	174	170.8	179.9	150.5	70.3	6.7	112.1	N723 E724 E725 L730 V731	N723-R727 VanDerWaalsContact O-CB 3.27Å; N723-R727 WeakPolarHBondContact O-CB 3.38Å; N723-R727 PolarHBondContact O-N 3.38Å; E724-R727 WeakPolarHBondContact O-CB 3.48Å; E724-R727 PolarHBondContact O-N 2.85Å; E724-R727 IonicContact OE1-NE 3.47Å; E724-R727 PolarHBondContact OE1-NE 3.33Å; E724-R727 VanDerWaalsContact OE1-NE 3.14Å; E724-R727 WeakPolarHBondContact OE2-CD 3.49Å; E724-R727 IonicContact OE2-NE 2.73Å; E725-R727 PolarHBondContact O-N 3.44Å; R727-L730 PolarHBondContact O-N 2.98Å; R727-V731 WeakPolarHBondContact O-CG2 3.34Å; R727-V731 PolarHBondContact O-N 3.22Å
728	Q	80.9	Confident	72.7	Confident	130 Å²	130	90.6 Å²	90.6	61%	0.607	45%	0.446	S	S	*	.	H	α-helix	trans	-65.1	-41.3	177.1	-169	178.4	13.2	0	0	111.9	E724 E725 V731 G732	E724-Q728 WeakPolarHBondContact O-CB 3.41Å; E724-Q728 PolarHBondContact O-N 3.09Å; E725-Q728 CarbonylContact O-C 3.56Å; E725-Q728 WeakPolarHBondContact O-CA 3.39Å; E725-Q728 WeakPolarHBondContact O-CB 3.41Å; E725-Q728 PolarHBondContact O-N 3.36Å; Q728-V731 PolarHBondContact O-N 2.87Å; Q728-G732 PolarHBondContact O-N 3.01Å
729	R	84.8	Confident	73.9	Confident	56 Å²	56	85.4 Å²	85.4	21%	0.211	43%	0.428	C	S	.	.	H	α-helix	trans	-61	-45.7	172.7	-62.4	-60.2	167.1	-156.4	-9.3	111.7	E665 L669 L672 E725 V726 V731 G732 L733	E665-R729 IonicContact OE1-NH1 3.99Å; E665-R729 WeakPolarHBondContact OE2-CD 3.14Å; E665-R729 IonicContact OE2-CZ 3.83Å; E665-R729 IonicContact OE2-NE 2.76Å; E665-R729 IonicContact OE2-NH1 2.81Å; E665-R729 PolarHBondContact OE2-NH1 3.03Å; L669-R729 HydrophobicContact CB-CB 4.37Å; L669-R729 HydrophobicContact CD1-CB 4.2Å; L672-R729 HydrophobicContact CD1-CG 3.83Å; E725-R729 HydrophobicContact CG-CG 4.35Å; E725-R729 WeakPolarHBondContact O-CG 3.4Å; E725-R729 PolarHBondContact O-N 2.93Å; E725-R729 IonicContact OE1-CZ 3.98Å; E725-R729 IonicContact OE1-NE 2.63Å; E725-R729 PolarHBondContact OE1-NE 3.11Å; E725-R729 IonicContact OE1-NH2 3.79Å; E725-R729 PolarHBondContact OE1-NH2 2.93Å; V726-R729 PolarHBondContact O-N 2.89Å; R729-V731 VanDerWaalsContact C-N 3.35Å; R729-V731 PolarHBondContact O-N 2.92Å; R729-G732 PolarHBondContact O-N 2.91Å; R729-L733 VanDerWaalsContact O-CB 3.3Å; R729-L733 WeakPolarHBondContact O-CB 3.48Å; R729-L733 PolarHBondContact O-N 3.23Å
730	L	81.2	Confident	75.3	Confident	89 Å²	89	80.6 Å²	80.6	47%	0.466	41%	0.406	S	S	.	.	H	α-helix	trans	-63.9	-37.4	177.6	-74.1	168.1	0	0	0	112.6	L669 V726 R727 S734	L669-L730 HydrophobicContact CD1-CG 4.48Å; L669-L730 HydrophobicContact CD2-CD2 3.7Å; L669-L730 HydrophobicContact CD2-CG 4.23Å; V726-L730 HydrophobicContact CG1-CD1 4Å; V726-L730 WeakPolarHBondContact O-CB 3.33Å; V726-L730 VanDerWaalsContact O-CG 3.3Å; V726-L730 WeakPolarHBondContact O-CG 3.39Å; V726-L730 PolarHBondContact O-N 2.95Å; R727-L730 PolarHBondContact O-N 2.98Å; L730-S734 VanDerWaalsContact O-CB 3.31Å; L730-S734 WeakPolarHBondContact O-CB 3.44Å; L730-S734 PolarHBondContact O-N 2.75Å
731	V	78.5	Confident	76.5	Confident	77 Å²	77	75 Å²	75	47%	0.467	39%	0.39	S	S	.	.	H	α-helix	trans	-64.9	-49.3	172	169.9	0	0	0	0	110.7	R727 Q728 R729 L733 S734 T735	R727-V731 WeakPolarHBondContact O-CG2 3.34Å; R727-V731 PolarHBondContact O-N 3.22Å; Q728-V731 PolarHBondContact O-N 2.87Å; R729-V731 VanDerWaalsContact C-N 3.35Å; R729-V731 PolarHBondContact O-N 2.92Å; V731-L733 PolarHBondContact O-N 3.41Å; V731-S734 WeakPolarHBondContact O-CB 3.33Å; V731-S734 PolarHBondContact O-N 3.11Å; V731-T735 PolarHBondContact O-N 3.04Å; V731-T735 PolarHBondContact O-OG1 3.35Å
732	G	79.7	Confident	76.8	Confident	24 Å²	24	72.9 Å²	72.9	25%	0.247	38%	0.382	C	S	.	.	H	α-helix	trans	-58	-48.1	178.2	0	0	0	0	0	112.8	Q728 R729 S734 T735 Q736	Q728-G732 PolarHBondContact O-N 3.01Å; R729-G732 PolarHBondContact O-N 2.91Å; G732-S734 PolarHBondContact O-N 3.34Å; G732-T735 PolarHBondContact O-N 3.09Å; G732-Q736 WeakPolarHBondContact O-CG 3.49Å; G732-Q736 PolarHBondContact O-N 2.78Å
733	L	84.8	Confident	77.2	Confident	23 Å²	23	70.2 Å²	70.2	12%	0.12	37%	0.368	C	S	.	.	H	α-helix	trans	-57.3	-46.8	174.5	177.3	57.7	0	0	0	111.8	A662 E665 V666 R729 V731 T735 Q736 L737	A662-L733 HydrophobicContact CB-CD1 3.98Å; A662-L733 WeakPolarHBondContact O-CD1 3.33Å; E665-L733 HydrophobicContact CB-CB 4.17Å; V666-L733 HydrophobicContact CG2-CD1 3.69Å; V666-L733 HydrophobicContact CG2-CD2 3.75Å; V666-L733 HydrophobicContact CG2-CG 4.38Å; R729-L733 VanDerWaalsContact O-CB 3.3Å; R729-L733 WeakPolarHBondContact O-CB 3.48Å; R729-L733 PolarHBondContact O-N 3.23Å; V731-L733 PolarHBondContact O-N 3.41Å; L733-T735 VanDerWaalsContact C-N 3.34Å; L733-T735 PolarHBondContact O-N 3.47Å; L733-Q736 PolarHBondContact O-N 2.71Å; L733-L737 HydrophobicContact CD1-CD1 3.87Å; L733-L737 HydrophobicContact CD1-CG 4Å; L733-L737 HydrophobicContact CG-CD1 3.94Å; L733-L737 HydrophobicContact CG-CG 4.46Å; L733-L737 WeakPolarHBondContact O-CG 3.43Å; L733-L737 PolarHBondContact O-N 2.74Å
734	S	76.6	Confident	77.4	Confident	53 Å²	53	67.7 Å²	67.7	37%	0.371	36%	0.356	S	S	.	.	H	α-helix	trans	-59.2	-44	176.4	-174.7	0	0	0	0	111.9	L730 V731 G732 Q736 L737 H738	L730-S734 VanDerWaalsContact O-CB 3.31Å; L730-S734 WeakPolarHBondContact O-CB 3.44Å; L730-S734 PolarHBondContact O-N 2.75Å; V731-S734 WeakPolarHBondContact O-CB 3.33Å; V731-S734 PolarHBondContact O-N 3.11Å; G732-S734 PolarHBondContact O-N 3.34Å; S734-Q736 PolarHBondContact O-N 2.94Å; S734-L737 PolarHBondContact O-N 3.48Å; S734-H738 PolarHBondContact O-N 3Å; S734-H738 PolarHBondContact O-ND1 3.16Å; S734-H738 PolarHBondContact OG-CE1 2.89Å; S734-H738 PolarHBondContact OG-ND1 3.42Å
735	T	78.1	Confident	77.1	Confident	86 Å²	86	67 Å²	67	53%	0.528	36%	0.355	S	S	.	.	H	α-helix	trans	-61	-44.5	175.9	-57.5	0	0	0	0	112	V731 G732 L733 A739	V731-T735 PolarHBondContact O-N 3.04Å; V731-T735 PolarHBondContact O-OG1 3.35Å; G732-T735 PolarHBondContact O-N 3.09Å; L733-T735 VanDerWaalsContact C-N 3.34Å; L733-T735 PolarHBondContact O-N 3.47Å; T735-A739 WeakPolarHBondContact O-CB 3.44Å; T735-A739 PolarHBondContact O-N 3.12Å
736	Q	81.8	Confident	76.5	Confident	55 Å²	55	68.1 Å²	68.1	26%	0.257	36%	0.356	S	S	.	.	H	α-helix	trans	-64.5	-41.5	177.5	-63.3	-59.9	-17.3	0	0	112.1	L658 A661 A662 G732 L733 S734 A739 L740	L658-Q736 VanDerWaalsContact CD2-OE1 3.27Å; A661-Q736 HydrophobicContact CB-CG 3.95Å; A662-Q736 HydrophobicContact CB-CB 3.84Å; G732-Q736 WeakPolarHBondContact O-CG 3.49Å; G732-Q736 PolarHBondContact O-N 2.78Å; L733-Q736 PolarHBondContact O-N 2.71Å; S734-Q736 PolarHBondContact O-N 2.94Å; Q736-A739 PolarHBondContact O-N 2.91Å; Q736-L740 WeakPolarHBondContact O-CB 3.23Å; Q736-L740 PolarHBondContact O-N 3.14Å
737	L	76.8	Confident	75.9	Confident	83 Å²	83	71.2 Å²	71.2	44%	0.435	37%	0.369	S	S	.	.	H	α-helix	trans	-67.4	-40.5	180	-70.4	173.6	0	0	0	113	A662 L733 S734 L740 Q741	A662-L737 HydrophobicContact CB-CD2 4.05Å; A662-L737 HydrophobicContact CB-CG 4.42Å; L733-L737 HydrophobicContact CD1-CD1 3.87Å; L733-L737 HydrophobicContact CD1-CG 4Å; L733-L737 HydrophobicContact CG-CD1 3.94Å; L733-L737 HydrophobicContact CG-CG 4.46Å; L733-L737 WeakPolarHBondContact O-CG 3.43Å; L733-L737 PolarHBondContact O-N 2.74Å; S734-L737 PolarHBondContact O-N 3.48Å; L737-L740 HydrophobicContact CD2-CD2 4.41Å; L737-L740 PolarHBondContact O-N 3.45Å; L737-Q741 WeakPolarHBondContact O-CB 3.31Å; L737-Q741 PolarHBondContact O-N 3.35Å
738	H	71.7	Confident	75.2	Confident	119 Å²	119	68 Å²	68	55%	0.551	36%	0.363	S	S	*	.	H	α-helix	trans	-68.3	-39.1	174.7	-71.4	85.2	0	0	0	111.8	S734 L740 Q741 A742	S734-H738 PolarHBondContact O-N 3Å; S734-H738 PolarHBondContact O-ND1 3.16Å; S734-H738 PolarHBondContact OG-CE1 2.89Å; S734-H738 PolarHBondContact OG-ND1 3.42Å; H738-L740 VanDerWaalsContact C-N 3.35Å; H738-Q741 PolarHBondContact O-N 2.72Å; H738-A742 WeakPolarHBondContact O-CB 3.47Å; H738-A742 PolarHBondContact O-N 3.18Å
739	A	74.9	Confident	74.2	Confident	35 Å²	35	64.4 Å²	64.4	29%	0.289	35%	0.352	S	S	.	.	H	α-helix	trans	-64	-40	173.9	0	0	0	0	0	111.9	L658 T735 Q736 A742 A743	L658-A739 HydrophobicContact CD1-CB 3.99Å; L658-A739 HydrophobicContact CD2-CB 4.03Å; T735-A739 WeakPolarHBondContact O-CB 3.44Å; T735-A739 PolarHBondContact O-N 3.12Å; Q736-A739 PolarHBondContact O-N 2.91Å; A739-A742 PolarHBondContact O-N 3.19Å; A739-A743 PolarHBondContact O-N 3.39Å
740	L	77.6	Confident	73	Confident	25 Å²	25	65.6 Å²	65.6	13%	0.131	36%	0.361	C	S	.	.	H	α-helix	trans	-63.5	-48.2	175	175.5	62.9	0	0	0	111.2	A655 L658 L659 Q736 L737 H738 A742 A743 V744	A655-L740 HydrophobicContact CB-CD1 3.64Å; A655-L740 WeakPolarHBondContact O-CD1 3.49Å; L658-L740 HydrophobicContact CB-CB 4.13Å; L658-L740 HydrophobicContact CB-CD1 4.37Å; L659-L740 HydrophobicContact CB-CD1 4.1Å; L659-L740 HydrophobicContact CB-CD2 4.08Å; L659-L740 HydrophobicContact CD1-CD2 3.96Å; Q736-L740 WeakPolarHBondContact O-CB 3.23Å; Q736-L740 PolarHBondContact O-N 3.14Å; L737-L740 HydrophobicContact CD2-CD2 4.41Å; L737-L740 PolarHBondContact O-N 3.45Å; H738-L740 VanDerWaalsContact C-N 3.35Å; L740-A742 VanDerWaalsContact C-N 3.3Å; L740-A742 PolarHBondContact O-N 3.27Å; L740-A743 CarbonylContact O-C 3.55Å; L740-A743 WeakPolarHBondContact O-CA 3.48Å; L740-A743 WeakPolarHBondContact O-CB 3.41Å; L740-A743 PolarHBondContact O-N 2.92Å; L740-V744 HydrophobicContact CD1-CG2 4.02Å; L740-V744 HydrophobicContact CG-CG2 4.38Å; L740-V744 WeakPolarHBondContact O-CG2 3.24Å; L740-V744 PolarHBondContact O-N 3.12Å
741	Q	73.4	Confident	71.8	Confident	114 Å²	114	66.6 Å²	66.6	53%	0.533	37%	0.366	S	S	.	.	H	α-helix	trans	-57.3	-44.6	175.9	-176.4	-179.3	1.5	0	0	111.2	L737 H738 A743 V744 I745	L737-Q741 WeakPolarHBondContact O-CB 3.31Å; L737-Q741 PolarHBondContact O-N 3.35Å; H738-Q741 PolarHBondContact O-N 2.72Å; Q741-A743 VanDerWaalsContact C-N 3.26Å; Q741-A743 PolarHBondContact O-N 2.67Å; Q741-V744 PolarHBondContact O-N 3.41Å; Q741-I745 HydrophobicContact CG-CD1 3.86Å; Q741-I745 VanDerWaalsContact O-CG1 3.31Å; Q741-I745 WeakPolarHBondContact O-CG1 3.29Å; Q741-I745 PolarHBondContact O-N 2.97Å
742	A	68.8	Low	70.7	Confident	46 Å²	46	70.1 Å²	70.1	38%	0.38	38%	0.378	S	S	.	.	H	α-helix	trans	-67.6	-21.9	175.2	0	0	0	0	0	113.7	H738 A739 L740 R746	H738-A742 WeakPolarHBondContact O-CB 3.47Å; H738-A742 PolarHBondContact O-N 3.18Å; A739-A742 PolarHBondContact O-N 3.19Å; L740-A742 VanDerWaalsContact C-N 3.3Å; L740-A742 PolarHBondContact O-N 3.27Å; A742-R746 WeakPolarHBondContact O-CG 3.39Å; A742-R746 PolarHBondContact O-NE 3.03Å; A742-R746 PolarHBondContact O-NH1 2.78Å
743	A	75.2	Confident	69.3	Low	1 Å²	1	74.2 Å²	74.2	1%	0.008	39%	0.394	C	S	.	.	H	α-helix	trans	-80.6	-44.9	172	0	0	0	0	0	112	A655 L658 A739 L740 Q741 R746 Q747	A655-A743 HydrophobicContact CB-CB 4.04Å; L658-A743 HydrophobicContact CD1-CB 4.09Å; A739-A743 PolarHBondContact O-N 3.39Å; L740-A743 CarbonylContact O-C 3.55Å; L740-A743 WeakPolarHBondContact O-CA 3.48Å; L740-A743 WeakPolarHBondContact O-CB 3.41Å; L740-A743 PolarHBondContact O-N 2.92Å; Q741-A743 VanDerWaalsContact C-N 3.26Å; Q741-A743 PolarHBondContact O-N 2.67Å; A743-R746 WeakPolarHBondContact O-CB 3.43Å; A743-R746 PolarHBondContact O-N 2.9Å; A743-Q747 WeakPolarHBondContact O-CG 2.8Å; A743-Q747 PolarHBondContact O-N 2.98Å
744	V	73.7	Confident	67.6	Low	54 Å²	54	76 Å²	76	33%	0.327	41%	0.408	S	S	.	.	H	α-helix	trans	-63	-48.4	179.2	171.6	0	0	0	0	111.1	A655 L740 Q741 R746 Q747 D748	A655-V744 HydrophobicContact CB-CG2 4.19Å; L740-V744 HydrophobicContact CD1-CG2 4.02Å; L740-V744 HydrophobicContact CG-CG2 4.38Å; L740-V744 WeakPolarHBondContact O-CG2 3.24Å; L740-V744 PolarHBondContact O-N 3.12Å; Q741-V744 PolarHBondContact O-N 3.41Å; V744-R746 PolarHBondContact O-N 2.77Å; V744-R746 VanDerWaalsContact O-N 3.12Å; V744-Q747 CarbonylContact O-C 3.58Å; V744-Q747 WeakPolarHBondContact O-CA 3.29Å; V744-Q747 WeakPolarHBondContact O-CB 3.37Å; V744-Q747 PolarHBondContact O-N 3.31Å; V744-D748 WeakPolarHBondContact CG1-OD2 3.49Å; V744-D748 PolarHBondContact O-N 2.92Å
745	I	67.8	Low	66.3	Low	93 Å²	93	77.2 Å²	77.2	48%	0.477	42%	0.421	S	S	.	.	H	α-helix	trans	-56.4	-35.3	177.3	-68.4	168.3	0	0	0	111.8	Q741 S749	Q741-I745 HydrophobicContact CG-CD1 3.86Å; Q741-I745 VanDerWaalsContact O-CG1 3.31Å; Q741-I745 WeakPolarHBondContact O-CG1 3.29Å; Q741-I745 PolarHBondContact O-N 2.97Å; I745-S749 WeakPolarHBondContact O-CB 3.44Å; I745-S749 PolarHBondContact O-N 3.08Å; I745-S749 VanDerWaalsContact O-N 3.11Å; I745-S749 PolarHBondContact O-OG 2.9Å
746	R	64.4	Low	64.7	Low	95 Å²	95	76.6 Å²	76.6	36%	0.358	43%	0.432	S	S	.	.	H	α-helix	trans	-69.7	-42.2	173	-68.6	-174.8	-52.2	-107.8	3.6	112.1	P653 A742 A743 V744 S749 I750	P653-R746 PolarHBondContact O-NH2 3.24Å; A742-R746 WeakPolarHBondContact O-CG 3.39Å; A742-R746 PolarHBondContact O-NE 3.03Å; A742-R746 PolarHBondContact O-NH1 2.78Å; A743-R746 WeakPolarHBondContact O-CB 3.43Å; A743-R746 PolarHBondContact O-N 2.9Å; V744-R746 PolarHBondContact O-N 2.77Å; V744-R746 VanDerWaalsContact O-N 3.12Å; R746-S749 PolarHBondContact O-N 2.83Å; R746-I750 VanDerWaalsContact O-CD1 3.25Å; R746-I750 WeakPolarHBondContact O-CD1 3.41Å; R746-I750 WeakPolarHBondContact O-CG1 3.46Å; R746-I750 PolarHBondContact O-N 2.64Å; R746-I750 VanDerWaalsContact O-N 3.09Å
747	Q	65.8	Low	62.8	Low	91 Å²	91	77 Å²	77	43%	0.425	45%	0.445	S	S	.	.	H	α-helix	trans	-63.8	-44.4	177.9	-71.4	177.1	-63.4	0	0	111.6	A743 V744 S749 I750 L751	A743-Q747 WeakPolarHBondContact O-CG 2.8Å; A743-Q747 PolarHBondContact O-N 2.98Å; V744-Q747 CarbonylContact O-C 3.58Å; V744-Q747 WeakPolarHBondContact O-CA 3.29Å; V744-Q747 WeakPolarHBondContact O-CB 3.37Å; V744-Q747 PolarHBondContact O-N 3.31Å; Q747-S749 PolarHBondContact O-N 2.96Å; Q747-I750 WeakPolarHBondContact O-CB 3.37Å; Q747-I750 PolarHBondContact O-N 3.02Å; Q747-I750 VanDerWaalsContact O-N 3.11Å; Q747-L751 WeakPolarHBondContact O-CG 3.26Å; Q747-L751 PolarHBondContact O-N 2.99Å
748	D	62.5	Low	61	Low	80 Å²	80	77 Å²	77	43%	0.428	46%	0.456	S	S	.	.	H	α-helix	trans	-61.2	-44.5	176.1	-62.1	-26.4	0	0	0	110.9	V744 I750 L751 E752	V744-D748 WeakPolarHBondContact CG1-OD2 3.49Å; V744-D748 PolarHBondContact O-N 2.92Å; D748-I750 VanDerWaalsContact C-N 3.26Å; D748-I750 PolarHBondContact O-N 2.8Å; D748-L751 WeakPolarHBondContact O-CB 3.46Å; D748-L751 PolarHBondContact O-N 2.84Å; D748-L751 VanDerWaalsContact O-N 3.07Å; D748-E752 PolarHBondContact O-N 2.9Å
749	S	61	Low	59.6	Low	54 Å²	54	76.7 Å²	76.7	38%	0.378	47%	0.465	S	S	.	.	H	α-helix	trans	-57.2	-37.4	173.8	-58	0	0	0	0	112.7	I745 R746 Q747 L753	I745-S749 WeakPolarHBondContact O-CB 3.44Å; I745-S749 PolarHBondContact O-N 3.08Å; I745-S749 VanDerWaalsContact O-N 3.11Å; I745-S749 PolarHBondContact O-OG 2.9Å; R746-S749 PolarHBondContact O-N 2.83Å; Q747-S749 PolarHBondContact O-N 2.96Å; S749-L753 WeakPolarHBondContact O-CB 3.27Å; S749-L753 WeakPolarHBondContact O-CD1 3.29Å; S749-L753 WeakPolarHBondContact O-CG 3.49Å; S749-L753 PolarHBondContact O-N 3.28Å; S749-L753 VanDerWaalsContact O-N 3.11Å
750	I	58.9	Low	57.9	Low	80 Å²	80	81.3 Å²	81.3	41%	0.41	49%	0.492	S	S	.	.	H	α-helix	trans	-73.2	-36.5	177.3	-64.1	156.8	0	0	0	110.9	A647 R746 Q747 D748 S754	A647-I750 HydrophobicContact CB-CD1 3.52Å; A647-I750 HydrophobicContact CB-CG1 4.12Å; R746-I750 VanDerWaalsContact O-CD1 3.25Å; R746-I750 WeakPolarHBondContact O-CD1 3.41Å; R746-I750 WeakPolarHBondContact O-CG1 3.46Å; R746-I750 PolarHBondContact O-N 2.64Å; R746-I750 VanDerWaalsContact O-N 3.09Å; Q747-I750 WeakPolarHBondContact O-CB 3.37Å; Q747-I750 PolarHBondContact O-N 3.02Å; Q747-I750 VanDerWaalsContact O-N 3.11Å; D748-I750 VanDerWaalsContact C-N 3.26Å; D748-I750 PolarHBondContact O-N 2.8Å; I750-S754 WeakPolarHBondContact O-CB 3.3Å; I750-S754 PolarHBondContact O-N 3.02Å; I750-S754 PolarHBondContact O-OG 3.21Å
751	L	55.4	Low	55.9	Low	110 Å²	110	85.1 Å²	85.1	58%	0.576	53%	0.527	S	S	*	.	H	α-helix	trans	-66.8	-44.8	176.1	-71.9	170.9	0	0	0	111.4	Q747 D748 S754 A755	Q747-L751 WeakPolarHBondContact O-CG 3.26Å; Q747-L751 PolarHBondContact O-N 2.99Å; D748-L751 WeakPolarHBondContact O-CB 3.46Å; D748-L751 PolarHBondContact O-N 2.84Å; D748-L751 VanDerWaalsContact O-N 3.07Å; L751-S754 WeakPolarHBondContact CA-OG 3.08Å; L751-S754 PolarHBondContact O-N 3.17Å; L751-S754 PolarHBondContact O-OG 3.48Å; L751-S754 VanDerWaalsContact O-OG 3.08Å; L751-A755 VanDerWaalsContact O-CB 3.31Å; L751-A755 WeakPolarHBondContact O-CB 3.49Å; L751-A755 PolarHBondContact O-N 2.96Å
752	E	55.3	Low	54.2	Low	151 Å²	151	82.7 Å²	82.7	71%	0.706	53%	0.533	S	S	*	.	H	α-helix	trans	-61.7	-47.3	173.8	-69.1	-172.6	157.8	0	0	111.6	D748 S754 A755 G756	D748-E752 PolarHBondContact O-N 2.9Å; E752-S754 PolarHBondContact O-N 2.83Å; E752-A755 PolarHBondContact O-N 3.36Å; E752-G756 PolarHBondContact O-N 3.07Å
753	L	51.8	Low	53	Low	111 Å²	111	87.3 Å²	87.3	58%	0.581	56%	0.559	S	S	*	*	H	α-helix	trans	-63.4	-23.8	177.3	-74.4	171.1	0	0	0	113.4	R642 S749	R642-L753 VanDerWaalsContact CZ-O 3.24Å; R642-L753 PolarHBondContact NH1-O 3.12Å; R642-L753 PolarHBondContact NH2-O 2.87Å; S749-L753 WeakPolarHBondContact O-CB 3.27Å; S749-L753 WeakPolarHBondContact O-CD1 3.29Å; S749-L753 WeakPolarHBondContact O-CG 3.49Å; S749-L753 PolarHBondContact O-N 3.28Å; S749-L753 VanDerWaalsContact O-N 3.11Å
754	S	48.8	Very low	51.4	Low	60 Å²	60	91.1 Å²	91.1	42%	0.42	60%	0.598	S	S	.	*	H	α-helix	trans	-92.2	-33.3	176	50.9	0	0	0	0	113.1	I750 L751 E752 A757	I750-S754 WeakPolarHBondContact O-CB 3.3Å; I750-S754 PolarHBondContact O-N 3.02Å; I750-S754 PolarHBondContact O-OG 3.21Å; L751-S754 WeakPolarHBondContact CA-OG 3.08Å; L751-S754 PolarHBondContact O-N 3.17Å; L751-S754 PolarHBondContact O-OG 3.48Å; L751-S754 VanDerWaalsContact O-OG 3.08Å; E752-S754 PolarHBondContact O-N 2.83Å; S754-A757 WeakPolarHBondContact O-CB 3.48Å; S754-A757 PolarHBondContact O-N 3.35Å
755	A	49.1	Very low	49.2	Very low	78 Å²	78	94.2 Å²	94.2	65%	0.645	62%	0.622	S	S	*	*	H	α-helix	trans	-63.6	-39	172.3	0	0	0	0	0	112.2	L751 E752 A757	L751-A755 VanDerWaalsContact O-CB 3.31Å; L751-A755 WeakPolarHBondContact O-CB 3.49Å; L751-A755 PolarHBondContact O-N 2.96Å; E752-A755 PolarHBondContact O-N 3.36Å; A755-A757 PolarHBondContact O-N 3.17Å
756	G	44.2	Very low	47.8	Very low	73 Å²	73	94 Å²	94	75%	0.753	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	7.7	177.8	0	0	0	0	0	116.2	E752	E752-G756 PolarHBondContact O-N 3.07Å
757	A	40.8	Very low	46.4	Very low	64 Å²	64	95.5 Å²	95.5	53%	0.529	66%	0.656	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106.1	5.8	-172.7	0	0	0	0	0	115.2	S754 A755	S754-A757 WeakPolarHBondContact O-CB 3.48Å; S754-A757 PolarHBondContact O-N 3.35Å; A755-A757 PolarHBondContact O-N 3.17Å
758	A	40.5	Very low	44.7	Very low	82 Å²	82	102.8 Å²	102.8	68%	0.678	68%	0.68	S	S	*	*			trans	-106.6	122.9	179.5	0	0	0	0	0	112
759	P	42.1	Very low	43.4	Very low	113 Å²	113	106.9 Å²	106.9	73%	0.734	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-74.9	154.1	173.5	31.9	-34.7	0	0	0	111.6	A761	P759-A761 PolarHBondContact O-N 3.09Å
760	P	38.8	Very low	42	Very low	133 Å²	133	111.1 Å²	111.1	86%	0.864	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-69.2	127.9	179.6	28.6	-34.4	0	0	0	111.5
761	A	36.5	Very low	40.7	Very low	104 Å²	104	117.4 Å²	117.4	86%	0.86	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-83	123.4	176.8	0	0	0	0	0	111.5	P759	P759-A761 PolarHBondContact O-N 3.09Å
762	G	35.8	Very low	39.5	Very low	63 Å²	63	117.5 Å²	117.5	65%	0.649	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-70.9	159.1	168.9	0	0	0	0	0	112.5
763	P	45	Very low	38.2	Very low	144 Å²	144	117.7 Å²	117.7	94%	0.935	76%	0.755	S	S	*	*	S	Bend	trans	-72.6	133.2	-175.3	29.8	-34.6	0	0	0	112
764	G	41	Very low	37.1	Very low	80 Å²	80	117.8 Å²	117.8	83%	0.825	77%	0.765	S	S	*	*			trans	112.4	45.7	162.6	0	0	0	0	0	118.1
765	S	28.1	Very low	36.5	Very low	120 Å²	120	125.4 Å²	125.4	84%	0.839	79%	0.785	S	S	*	*			trans	-148.4	143.4	149.4	64.1	0	0	0	0	112.3
766	A	37.8	Very low	35.6	Very low	88 Å²	88	128.7 Å²	128.7	73%	0.727	79%	0.792	S	S	*	*			trans	-77.7	147.8	173.8	0	0	0	0	0	110.6	R768	A766-R768 PolarHBondContact O-N 3.12Å
767	P	35.3	Very low	35	Very low	127 Å²	127	129.8 Å²	129.8	83%	0.825	79%	0.794	S	S	*	*			trans	-69.6	126.9	-167.9	27	-35.2	0	0	0	112.8
768	R	30.3	Very low	34.7	Very low	243 Å²	243	133.3 Å²	133.3	92%	0.917	81%	0.809	S	S	*	*			trans	-88.9	110.1	165.6	-84.8	-172.5	167.5	-173.8	-3	110.4	A766 V770	A766-R768 PolarHBondContact O-N 3.12Å; R768-V770 PolarHBondContact O-N 2.97Å
769	L	35.2	Very low	34.5	Very low	166 Å²	166	137.8 Å²	137.8	87%	0.869	82%	0.82	S	S	*	*			trans	-59.3	124.3	172.8	-71.3	160.7	0	0	0	111.4
770	V	31.5	Very low	34.5	Very low	144 Å²	144	136.6 Å²	136.6	87%	0.873	81%	0.808	S	S	*	*			trans	-91.4	106.6	163.4	179.1	0	0	0	0	108	R768 S772	R768-V770 PolarHBondContact O-N 2.97Å; V770-S772 PolarHBondContact O-N 3.32Å
771	R	30.8	Very low	34.7	Very low	212 Å²	212	133.6 Å²	133.6	80%	0.8	79%	0.794	S	S	*	*			trans	-77.4	115.8	172.1	-81.5	179.8	169	161.3	-3.6	110.1
772	S	30.5	Very low	35.2	Very low	112 Å²	112	132.8 Å²	132.8	78%	0.783	78%	0.782	S	S	*	*			trans	-84.1	149.7	149.6	-171.8	0	0	0	0	109	V770	V770-S772 PolarHBondContact O-N 3.32Å
773	M	29.3	Very low	35.4	Very low	154 Å²	154	132.1 Å²	132.1	76%	0.759	77%	0.768	S	S	*	*			trans	-109.6	100.9	-178.6	-72.7	-82	83.5	0	0	111.7
774	S	28.6	Very low	35.5	Very low	113 Å²	113	131.3 Å²	131.3	79%	0.79	75%	0.752	S	S	*	*			trans	-133.9	144.1	135	-170	0	0	0	0	109.1
775	R	36.3	Very low	36	Very low	220 Å²	220	131.6 Å²	131.6	83%	0.83	74%	0.737	S	S	*	*			trans	-74.9	157.8	163.8	-74.1	155.5	143.1	161.2	-9.5	108.5
776	D	28.8	Very low	37.4	Very low	147 Å²	147	130.5 Å²	130.5	79%	0.786	73%	0.725	S	S	*	*			cis	-142.9	-175.1	10.3	-120.5	-43.6	0	0	0	111.5
777	A	31.6	Very low	38.2	Very low	97 Å²	97	131.1 Å²	131.1	80%	0.802	72%	0.716	S	S	*	*			trans	66	78.4	168.2	0	0	0	0	0	117.9
778	T	34.4	Very low	39	Very low	137 Å²	137	130.3 Å²	130.3	84%	0.84	70%	0.704	S	S	*	*			trans	-95	114.1	164.1	48.6	0	0	0	0	112.2
779	L	37.4	Very low	40.2	Very low	176 Å²	176	127 Å²	127	92%	0.921	69%	0.691	S	S	*	*			trans	-143.7	113.9	156.6	-77.7	-177.4	0	0	0	111.9
780	D	41.3	Very low	41.4	Very low	89 Å²	89	127.1 Å²	127.1	48%	0.476	68%	0.68	S	S	.	*			trans	58.3	47.5	147.8	-149.2	4.2	0	0	0	122.5	S782 S783	D780-S782 PolarHBondContact O-N 2.82Å; D780-S782 VanDerWaalsContact O-N 3.14Å; D780-S782 WeakPolarHBondContact OD1-CB 3.48Å; D780-S782 PolarHBondContact OD1-OG 2.87Å; D780-S783 PolarHBondContact O-N 3.03Å; D780-S783 VanDerWaalsContact OD1-CB 3.31Å; D780-S783 WeakPolarHBondContact OD1-CB 3.47Å; D780-S783 PolarHBondContact OD1-N 3.27Å; D780-S783 WeakPolarHBondContact OD2-CB 3.37Å
781	A	43.5	Very low	42.6	Very low	69 Å²	69	126.1 Å²	126.1	57%	0.57	67%	0.666	S	S	*	*	H	α-helix	trans	-60.6	-14.8	161.8	0	0	0	0	0	113.9	V785	A781-V785 PolarHBondContact O-N 3.47Å
782	S	46	Very low	44.2	Very low	87 Å²	87	119.7 Å²	119.7	61%	0.608	65%	0.65	S	S	*	*	H	α-helix	trans	-68.8	-44.3	175.2	24.4	0	0	0	0	112.8	D780 V786	D780-S782 PolarHBondContact O-N 2.82Å; D780-S782 VanDerWaalsContact O-N 3.14Å; D780-S782 WeakPolarHBondContact OD1-CB 3.48Å; D780-S782 PolarHBondContact OD1-OG 2.87Å; S782-V786 PolarHBondContact O-N 3.27Å
783	S	41.3	Very low	46	Very low	50 Å²	50	120.1 Å²	120.1	35%	0.35	64%	0.639	S	S	.	*	H	α-helix	trans	-67.6	-40.6	177.8	-177.7	0	0	0	0	111.7	D780 V785 V786 L787	D780-S783 PolarHBondContact O-N 3.03Å; D780-S783 VanDerWaalsContact OD1-CB 3.31Å; D780-S783 WeakPolarHBondContact OD1-CB 3.47Å; D780-S783 PolarHBondContact OD1-N 3.27Å; D780-S783 WeakPolarHBondContact OD2-CB 3.37Å; S783-V785 VanDerWaalsContact C-N 3.33Å; S783-V785 PolarHBondContact O-N 2.89Å; S783-V786 PolarHBondContact O-N 2.76Å; S783-V786 VanDerWaalsContact O-N 3.08Å; S783-L787 WeakPolarHBondContact O-CG 3.44Å; S783-L787 PolarHBondContact O-N 3.19Å
784	E	47.3	Very low	47.8	Very low	127 Å²	127	117.3 Å²	117.3	59%	0.593	63%	0.627	S	S	*	*	H	α-helix	trans	-57.3	-42.4	176.9	-69.2	-167.6	131.5	0	0	112.8	V786 L787 L788	E784-V786 VanDerWaalsContact C-N 3.31Å; E784-V786 PolarHBondContact O-N 3.27Å; E784-L787 PolarHBondContact O-N 3.12Å; E784-L788 VanDerWaalsContact O-CB 3.29Å; E784-L788 WeakPolarHBondContact O-CB 3.4Å; E784-L788 VanDerWaalsContact O-CG 3.25Å; E784-L788 WeakPolarHBondContact O-CG 3.33Å; E784-L788 PolarHBondContact O-N 3.11Å
785	V	50.7	Low	49.3	Very low	85 Å²	85	117 Å²	117	52%	0.515	62%	0.616	S	S	.	*	H	α-helix	trans	-66	-32.8	178	174	0	0	0	0	112.2	A781 S783 R789	A781-V785 PolarHBondContact O-N 3.47Å; S783-V785 VanDerWaalsContact C-N 3.33Å; S783-V785 PolarHBondContact O-N 2.89Å; V785-R789 WeakPolarHBondContact O-CB 3.42Å; V785-R789 WeakPolarHBondContact O-CG 3.33Å; V785-R789 PolarHBondContact O-N 3.43Å; V785-R789 VanDerWaalsContact O-N 3.11Å
786	V	57.1	Low	50.5	Low	97 Å²	97	112.2 Å²	112.2	59%	0.588	60%	0.603	S	S	*	*	H	α-helix	trans	-73.7	-41.7	175.1	176	0	0	0	0	111.1	S782 S783 E784 R789 R790	S782-V786 PolarHBondContact O-N 3.27Å; S783-V786 PolarHBondContact O-N 2.76Å; S783-V786 VanDerWaalsContact O-N 3.08Å; E784-V786 VanDerWaalsContact C-N 3.31Å; E784-V786 PolarHBondContact O-N 3.27Å; V786-R789 PolarHBondContact O-N 3.39Å; V786-R790 WeakPolarHBondContact O-CB 3.43Å; V786-R790 PolarHBondContact O-N 2.97Å
787	L	54.9	Low	52.5	Low	102 Å²	102	111.7 Å²	111.7	53%	0.534	60%	0.596	S	S	.	*	H	α-helix	trans	-63.7	-44.8	175.4	-69.9	170.1	0	0	0	111.5	S783 E784 R790 Q791	S783-L787 WeakPolarHBondContact O-CG 3.44Å; S783-L787 PolarHBondContact O-N 3.19Å; E784-L787 PolarHBondContact O-N 3.12Å; L787-R790 PolarHBondContact O-N 3.45Å; L787-Q791 WeakPolarHBondContact O-CB 3.45Å; L787-Q791 PolarHBondContact O-N 2.59Å
788	L	52.3	Low	54.1	Low	109 Å²	109	110.5 Å²	110.5	57%	0.571	57%	0.574	S	S	*	*	H	α-helix	trans	-62.5	-43.5	176.4	-75.6	167.6	0	0	0	112	E784 Q791 V792	E784-L788 VanDerWaalsContact O-CB 3.29Å; E784-L788 WeakPolarHBondContact O-CB 3.4Å; E784-L788 VanDerWaalsContact O-CG 3.25Å; E784-L788 WeakPolarHBondContact O-CG 3.33Å; E784-L788 PolarHBondContact O-N 3.11Å; L788-Q791 PolarHBondContact O-N 3.09Å; L788-V792 WeakPolarHBondContact O-CG2 3.28Å; L788-V792 PolarHBondContact O-N 2.84Å
789	R	55.5	Low	55.4	Low	175 Å²	175	108.6 Å²	108.6	66%	0.66	56%	0.558	S	S	*	*	H	α-helix	trans	-58.1	-49	172.9	-82.1	177	172	-98.9	-1.3	111.5	V785 V786 Q791 V792 E793	V785-R789 WeakPolarHBondContact O-CB 3.42Å; V785-R789 WeakPolarHBondContact O-CG 3.33Å; V785-R789 PolarHBondContact O-N 3.43Å; V785-R789 VanDerWaalsContact O-N 3.11Å; V786-R789 PolarHBondContact O-N 3.39Å; R789-Q791 VanDerWaalsContact C-N 3.28Å; R789-Q791 PolarHBondContact O-N 2.85Å; R789-V792 PolarHBondContact O-N 2.95Å; R789-E793 WeakPolarHBondContact O-CG 3.16Å; R789-E793 PolarHBondContact O-N 3.46Å
790	R	60.6	Low	56.8	Low	168 Å²	168	103 Å²	103	63%	0.634	53%	0.534	S	S	*	.	H	α-helix	trans	-64.4	-32	178.8	-167.3	172.1	-175.6	175.7	1.5	112.8	V786 L787 L794	V786-R790 WeakPolarHBondContact O-CB 3.43Å; V786-R790 PolarHBondContact O-N 2.97Å; L787-R790 PolarHBondContact O-N 3.45Å; R790-L794 WeakPolarHBondContact O-CB 3.34Å; R790-L794 VanDerWaalsContact O-CG 3.28Å; R790-L794 WeakPolarHBondContact O-CG 3.47Å; R790-L794 PolarHBondContact O-N 2.91Å
791	Q	57	Low	58.3	Low	123 Å²	123	105.2 Å²	105.2	58%	0.575	54%	0.536	S	S	*	.	H	α-helix	trans	-76.6	-31.1	176.6	-166.3	158.9	1.6	0	0	112.4	L787 L788 R789 L795	L787-Q791 WeakPolarHBondContact O-CB 3.45Å; L787-Q791 PolarHBondContact O-N 2.59Å; L788-Q791 PolarHBondContact O-N 3.09Å; R789-Q791 VanDerWaalsContact C-N 3.28Å; R789-Q791 PolarHBondContact O-N 2.85Å; Q791-L795 WeakPolarHBondContact O-CB 3.44Å; Q791-L795 VanDerWaalsContact O-CG 3.29Å; Q791-L795 WeakPolarHBondContact O-CG 3.35Å; Q791-L795 PolarHBondContact O-N 3.45Å
792	V	63.8	Low	59.1	Low	76 Å²	76	105.9 Å²	105.9	46%	0.461	53%	0.529	S	S	.	.	H	α-helix	trans	-66.5	-42.7	167.7	169.3	0	0	0	0	111.1	L788 R789 L795 Q796	L788-V792 WeakPolarHBondContact O-CG2 3.28Å; L788-V792 PolarHBondContact O-N 2.84Å; R789-V792 PolarHBondContact O-N 2.95Å; V792-L795 PolarHBondContact O-N 2.92Å; V792-Q796 WeakPolarHBondContact O-CG 3.34Å; V792-Q796 PolarHBondContact O-N 2.86Å
793	E	67.6	Low	60.2	Low	121 Å²	121	110.4 Å²	110.4	57%	0.565	53%	0.533	S	S	*	.	H	α-helix	trans	-59.5	-48.7	174.6	-72.4	167.2	172	0	0	111.4	R789 L795 Q796 E797	R789-E793 WeakPolarHBondContact O-CG 3.16Å; R789-E793 PolarHBondContact O-N 3.46Å; E793-L795 VanDerWaalsContact C-N 3.32Å; E793-L795 PolarHBondContact O-N 2.85Å; E793-Q796 PolarHBondContact O-N 2.9Å; E793-Q796 VanDerWaalsContact O-N 3.16Å; E793-E797 WeakPolarHBondContact O-CB 3.41Å; E793-E797 PolarHBondContact O-N 2.95Å
794	L	68.1	Low	61	Low	96 Å²	96	113.3 Å²	113.3	50%	0.503	54%	0.544	S	S	.	.	H	α-helix	trans	-61.8	-35.7	176.1	-72.7	167	0	0	0	113.1	R790 E797 E798	R790-L794 WeakPolarHBondContact O-CB 3.34Å; R790-L794 VanDerWaalsContact O-CG 3.28Å; R790-L794 WeakPolarHBondContact O-CG 3.47Å; R790-L794 PolarHBondContact O-N 2.91Å; L794-E797 PolarHBondContact O-N 2.82Å; L794-E798 PolarHBondContact O-N 2.97Å
795	L	59.7	Low	61.4	Low	107 Å²	107	112.8 Å²	112.8	56%	0.56	54%	0.539	S	S	*	.	H	α-helix	trans	-69.5	-37.5	174.1	-79.2	167	0	0	0	112.2	Q791 V792 E793 L799	Q791-L795 WeakPolarHBondContact O-CB 3.44Å; Q791-L795 VanDerWaalsContact O-CG 3.29Å; Q791-L795 WeakPolarHBondContact O-CG 3.35Å; Q791-L795 PolarHBondContact O-N 3.45Å; V792-L795 PolarHBondContact O-N 2.92Å; E793-L795 VanDerWaalsContact C-N 3.32Å; E793-L795 PolarHBondContact O-N 2.85Å; L795-L799 VanDerWaalsContact O-CB 3.25Å; L795-L799 WeakPolarHBondContact O-CB 3.44Å; L795-L799 WeakPolarHBondContact O-CD1 3.43Å; L795-L799 VanDerWaalsContact O-CG 3.22Å; L795-L799 WeakPolarHBondContact O-CG 3.18Å; L795-L799 PolarHBondContact O-N 3.12Å
796	Q	61.4	Low	61.3	Low	119 Å²	119	113.7 Å²	113.7	56%	0.556	55%	0.545	S	S	*	.	H	α-helix	trans	-68	-36	174	-72.4	176.9	-3.8	0	0	111.8	V792 E793 S800	V792-Q796 WeakPolarHBondContact O-CG 3.34Å; V792-Q796 PolarHBondContact O-N 2.86Å; E793-Q796 PolarHBondContact O-N 2.9Å; E793-Q796 VanDerWaalsContact O-N 3.16Å; Q796-S800 WeakPolarHBondContact O-CB 3.26Å; Q796-S800 PolarHBondContact O-N 2.89Å; Q796-S800 PolarHBondContact O-OG 2.88Å
797	E	70.6	Confident	60.9	Low	136 Å²	136	115.8 Å²	115.8	64%	0.636	55%	0.549	S	S	*	.	H	α-helix	trans	-67.4	-48.9	175.6	-167.7	169.9	-141.3	0	0	111.6	E793 L794 L799 S800 R801	E793-E797 WeakPolarHBondContact O-CB 3.41Å; E793-E797 PolarHBondContact O-N 2.95Å; L794-E797 PolarHBondContact O-N 2.82Å; E797-L799 PolarHBondContact O-N 3.03Å; E797-S800 WeakPolarHBondContact O-CB 3.42Å; E797-S800 PolarHBondContact O-N 3.47Å; E797-S800 VanDerWaalsContact O-N 3.17Å; E797-R801 WeakPolarHBondContact O-CB 3.47Å; E797-R801 PolarHBondContact O-N 2.79Å
798	E	66.2	Low	60.6	Low	71 Å²	71	117.1 Å²	117.1	33%	0.332	55%	0.552	S	S	.	*	H	α-helix	trans	-68.9	-32.8	177	-167.3	66.2	-157.6	0	0	112.1	L794 S800 R801 L802	L794-E798 PolarHBondContact O-N 2.97Å; E798-S800 VanDerWaalsContact C-N 3.33Å; E798-S800 PolarHBondContact O-N 3.17Å; E798-R801 PolarHBondContact O-N 3.24Å; E798-R801 WeakPolarHBondContact OE1-CD 3.29Å; E798-R801 IonicContact OE1-CZ 3.69Å; E798-R801 IonicContact OE1-NE 3.94Å; E798-R801 IonicContact OE1-NH1 2.82Å; E798-R801 PolarHBondContact OE1-NH1 2.85Å; E798-R801 WeakPolarHBondContact OE2-CD 3.04Å; E798-R801 IonicContact OE2-CZ 3.57Å; E798-R801 IonicContact OE2-NE 3.76Å; E798-R801 IonicContact OE2-NH1 2.69Å; E798-R801 PolarHBondContact OE2-NH1 3.14Å; E798-L802 HydrophobicContact CG-CD1 4.39Å; E798-L802 WeakPolarHBondContact O-CB 3.29Å; E798-L802 VanDerWaalsContact O-CG 3.25Å; E798-L802 WeakPolarHBondContact O-CG 3.36Å; E798-L802 PolarHBondContact O-N 3.33Å
799	L	60.6	Low	60.2	Low	97 Å²	97	114 Å²	114	51%	0.508	55%	0.546	S	S	.	.	H	α-helix	trans	-62.6	-39	169.7	-81.1	169.7	0	0	0	112.3	L795 E797 L802 R803	L795-L799 VanDerWaalsContact O-CB 3.25Å; L795-L799 WeakPolarHBondContact O-CB 3.44Å; L795-L799 WeakPolarHBondContact O-CD1 3.43Å; L795-L799 VanDerWaalsContact O-CG 3.22Å; L795-L799 WeakPolarHBondContact O-CG 3.18Å; L795-L799 PolarHBondContact O-N 3.12Å; E797-L799 PolarHBondContact O-N 3.03Å; L799-L802 PolarHBondContact O-N 3.46Å; L799-R803 WeakPolarHBondContact O-CG 3.49Å; L799-R803 PolarHBondContact O-N 2.95Å
800	S	67.9	Low	59.6	Low	60 Å²	60	108.2 Å²	108.2	42%	0.42	54%	0.541	S	S	.	.	H	α-helix	trans	-67.3	-41.5	175.8	-59.3	0	0	0	0	111.2	Q796 E797 E798 R803 L804	Q796-S800 WeakPolarHBondContact O-CB 3.26Å; Q796-S800 PolarHBondContact O-N 2.89Å; Q796-S800 PolarHBondContact O-OG 2.88Å; E797-S800 WeakPolarHBondContact O-CB 3.42Å; E797-S800 PolarHBondContact O-N 3.47Å; E797-S800 VanDerWaalsContact O-N 3.17Å; E798-S800 VanDerWaalsContact C-N 3.33Å; E798-S800 PolarHBondContact O-N 3.17Å; S800-R803 PolarHBondContact O-N 3.01Å; S800-L804 WeakPolarHBondContact O-CG 3.42Å; S800-L804 PolarHBondContact O-N 3.11Å
801	R	72.1	Confident	58.7	Low	135 Å²	135	109.3 Å²	109.3	51%	0.509	55%	0.551	S	S	.	*	H	α-helix	trans	-64.4	-36.4	173.7	-168.4	-167	-178.6	-158.5	7.3	113	E797 E798 K805	E797-R801 WeakPolarHBondContact O-CB 3.47Å; E797-R801 PolarHBondContact O-N 2.79Å; E798-R801 PolarHBondContact O-N 3.24Å; E798-R801 WeakPolarHBondContact OE1-CD 3.29Å; E798-R801 IonicContact OE1-CZ 3.69Å; E798-R801 IonicContact OE1-NE 3.94Å; E798-R801 IonicContact OE1-NH1 2.82Å; E798-R801 PolarHBondContact OE1-NH1 2.85Å; E798-R801 WeakPolarHBondContact OE2-CD 3.04Å; E798-R801 IonicContact OE2-CZ 3.57Å; E798-R801 IonicContact OE2-NE 3.76Å; E798-R801 IonicContact OE2-NH1 2.69Å; E798-R801 PolarHBondContact OE2-NH1 3.14Å; R801-K805 WeakPolarHBondContact O-CB 3.3Å; R801-K805 PolarHBondContact O-N 2.9Å
802	L	61	Low	58	Low	82 Å²	82	111.9 Å²	111.9	43%	0.429	56%	0.56	S	S	.	*	H	α-helix	trans	-69.7	-37.1	174.5	-76.2	168.6	0	0	0	112	E798 L799 K805 T806	E798-L802 HydrophobicContact CG-CD1 4.39Å; E798-L802 WeakPolarHBondContact O-CB 3.29Å; E798-L802 VanDerWaalsContact O-CG 3.25Å; E798-L802 WeakPolarHBondContact O-CG 3.36Å; E798-L802 PolarHBondContact O-N 3.33Å; L799-L802 PolarHBondContact O-N 3.46Å; L802-K805 HydrophobicContact CD2-CD 4.5Å; L802-K805 PolarHBondContact O-N 2.73Å; L802-T806 PolarHBondContact O-N 3.17Å; L802-T806 PolarHBondContact O-OG1 2.87Å
803	R	68.3	Low	56.8	Low	182 Å²	182	111.6 Å²	111.6	69%	0.687	57%	0.572	S	S	*	*	H	α-helix	trans	-61.1	-49.3	170.4	-73.8	172.2	176.6	177.4	-1	111.2	L799 S800 K805 T806 E807	L799-R803 WeakPolarHBondContact O-CG 3.49Å; L799-R803 PolarHBondContact O-N 2.95Å; S800-R803 PolarHBondContact O-N 3.01Å; R803-K805 PolarHBondContact O-N 2.87Å; R803-T806 WeakPolarHBondContact O-CA 3.27Å; R803-T806 VanDerWaalsContact O-CB 3.31Å; R803-T806 WeakPolarHBondContact O-CB 3.28Å; R803-T806 PolarHBondContact O-N 2.89Å; R803-E807 PolarHBondContact O-N 2.92Å; R803-E807 VanDerWaalsContact O-N 3.08Å
804	L	58.8	Low	55.3	Low	111 Å²	111	110.5 Å²	110.5	58%	0.581	58%	0.584	S	S	*	*	H	α-helix	trans	-58.3	-44.4	175.1	-71.7	165.9	0	0	0	112.6	S800 T806 E807 E808	S800-L804 WeakPolarHBondContact O-CG 3.42Å; S800-L804 PolarHBondContact O-N 3.11Å; L804-T806 PolarHBondContact O-N 2.76Å; L804-E807 PolarHBondContact O-N 2.77Å; L804-E808 PolarHBondContact O-N 2.8Å
805	K	54.7	Low	53.5	Low	116 Å²	116	109 Å²	109	50%	0.504	59%	0.592	S	S	.	*	H	α-helix	trans	-57.9	-33.3	171.6	-95.3	179.7	174.2	173.4	0	113.4	R801 L802 R803 G809	R801-K805 WeakPolarHBondContact O-CB 3.3Å; R801-K805 PolarHBondContact O-N 2.9Å; L802-K805 HydrophobicContact CD2-CD 4.5Å; L802-K805 PolarHBondContact O-N 2.73Å; R803-K805 PolarHBondContact O-N 2.87Å; K805-G809 PolarHBondContact O-N 2.85Å
806	T	48.3	Very low	52	Low	104 Å²	104	110.1 Å²	110.1	64%	0.638	61%	0.609	S	S	*	*	H	α-helix	trans	-72.5	-38.8	179.5	-54.6	0	0	0	0	110.8	L802 R803 L804 G809 G810	L802-T806 PolarHBondContact O-N 3.17Å; L802-T806 PolarHBondContact O-OG1 2.87Å; R803-T806 WeakPolarHBondContact O-CA 3.27Å; R803-T806 VanDerWaalsContact O-CB 3.31Å; R803-T806 WeakPolarHBondContact O-CB 3.28Å; R803-T806 PolarHBondContact O-N 2.89Å; L804-T806 PolarHBondContact O-N 2.76Å; T806-G809 PolarHBondContact O-N 3.49Å; T806-G810 PolarHBondContact O-N 3.49Å
807	E	50	Low	50.4	Low	141 Å²	141	108.2 Å²	108.2	66%	0.659	62%	0.62	S	S	*	*	H	α-helix	trans	-69.8	-38.7	174.4	-65.1	-173.5	165.9	0	0	112.6	R803 L804 G809 G810 K811	R803-E807 PolarHBondContact O-N 2.92Å; R803-E807 VanDerWaalsContact O-N 3.08Å; L804-E807 PolarHBondContact O-N 2.77Å; E807-G809 VanDerWaalsContact C-N 3.34Å; E807-G810 PolarHBondContact O-N 3.27Å; E807-K811 PolarHBondContact O-N 3.45Å
808	E	47.6	Very low	48.5	Very low	131 Å²	131	111.3 Å²	111.3	61%	0.612	63%	0.632	S	S	*	*	H	α-helix	trans	-63.7	-38.9	169.3	-72.3	-158	138.6	0	0	112.4	L804 G810 K811 K812	L804-E808 PolarHBondContact O-N 2.8Å; E808-G810 VanDerWaalsContact C-N 3.34Å; E808-K811 PolarHBondContact O-N 2.8Å; E808-K812 PolarHBondContact O-N 2.77Å
809	G	44.8	Very low	46.7	Very low	42 Å²	42	117.1 Å²	117.1	43%	0.433	66%	0.656	S	S	.	*	H	α-helix	trans	-59.7	-43.6	174.2	0	0	0	0	0	112.2	K805 T806 E807 K811 K812 G813	K805-G809 PolarHBondContact O-N 2.85Å; T806-G809 PolarHBondContact O-N 3.49Å; E807-G809 VanDerWaalsContact C-N 3.34Å; G809-K811 VanDerWaalsContact C-N 3.28Å; G809-K811 PolarHBondContact O-N 3.22Å; G809-K812 PolarHBondContact O-N 3.46Å; G809-G813 PolarHBondContact O-N 2.94Å
810	G	41.8	Very low	45.2	Very low	55 Å²	55	121.8 Å²	121.8	57%	0.567	67%	0.672	S	S	*	*	H	α-helix	trans	-56.1	-38.9	175.5	0	0	0	0	0	113.3	T806 E807 E808 K812 G813	T806-G810 PolarHBondContact O-N 3.49Å; E807-G810 PolarHBondContact O-N 3.27Å; E808-G810 VanDerWaalsContact C-N 3.34Å; G810-K812 VanDerWaalsContact C-N 3.31Å; G810-K812 PolarHBondContact O-N 3.14Å; G810-G813 PolarHBondContact O-N 2.73Å
811	K	43.3	Very low	43.3	Very low	191 Å²	191	128.7 Å²	128.7	83%	0.83	70%	0.695	S	S	*	*	H	α-helix	trans	-75.6	-11.9	177.5	-75.2	178.8	178.2	171.2	0	114.6	E807 E808 G809	E807-K811 PolarHBondContact O-N 3.45Å; E808-K811 PolarHBondContact O-N 2.8Å; G809-K811 VanDerWaalsContact C-N 3.28Å; G809-K811 PolarHBondContact O-N 3.22Å
812	K	41.3	Very low	41.1	Very low	177 Å²	177	131.8 Å²	131.8	77%	0.77	71%	0.712	S	S	*	*	H	α-helix	trans	-94.1	-8.9	173	-69.8	-179.5	-179.2	168.7	0	114	E808 G809 G810	E808-K812 PolarHBondContact O-N 2.77Å; G809-K812 PolarHBondContact O-N 3.46Å; G810-K812 VanDerWaalsContact C-N 3.31Å; G810-K812 PolarHBondContact O-N 3.14Å
813	G	38.2	Very low	39.6	Very low	70 Å²	70	134.6 Å²	134.6	72%	0.722	73%	0.727	S	S	*	*	S	Bend	trans	-78.4	-21.6	177.1	0	0	0	0	0	115.5	G809 G810	G809-G813 PolarHBondContact O-N 2.94Å; G810-G813 PolarHBondContact O-N 2.73Å
814	A	37.1	Very low	37.7	Very low	98 Å²	98	135.7 Å²	135.7	81%	0.81	74%	0.737	S	S	*	*	S	Bend	trans	-105.7	52.6	-170.9	0	0	0	0	0	113
815	G	30.1	Very low	36.2	Very low	65 Å²	65	133.7 Å²	133.7	67%	0.67	74%	0.743	S	S	*	*			trans	-126.6	-11	-156.2	0	0	0	0	0	120.7
816	S	28.5	Very low	34.9	Very low	130 Å²	130	138.9 Å²	138.9	91%	0.909	77%	0.766	S	S	*	*			trans	-168.8	133.2	171.2	55.6	0	0	0	0	114.1
817	G	26.7	Very low	33.9	Very low	78 Å²	78	137.6 Å²	137.6	80%	0.804	77%	0.773	S	S	*	*			trans	-166.7	31.4	-178.2	0	0	0	0	0	116.3
818	K	30.4	Very low	32.8	Very low	201 Å²	201	138.8 Å²	138.8	87%	0.874	78%	0.784	S	S	*	*			trans	-158.4	96.8	-179.2	-112.2	167.3	-173.8	170.8	0	113.8
819	K	29.2	Very low	31.9	Very low	194 Å²	194	136.2 Å²	136.2	84%	0.843	79%	0.785	S	S	*	*				170.1	141.4	111.5	-93.3	169.1	-174.1	173.3	0	115.4
820	K	28.9	Very low	31.1	Very low	195 Å²	195	139.4 Å²	139.4	85%	0.848	80%	0.801	S	S	*	*			trans	37.8	107.1	144.8	-71.8	-174.4	168.2	-179.1	0	120.3	K822	K820-K822 PolarHBondContact O-N 2.91Å
821	K	28.2	Very low	30.5	Very low	205 Å²	205	145.5 Å²	145.5	89%	0.891	81%	0.812	S	S	*	*			trans	-37	126.4	139	-170.1	179.2	-168.8	176.7	0	112.2
822	K	26.8	Very low	29.8	Very low	199 Å²	199	140.9 Å²	140.9	87%	0.865	80%	0.796	S	S	*	*			trans	-151.8	140.2	160.8	-142.8	-174.4	-175.2	-169.7	0	109.5	K820	K820-K822 PolarHBondContact O-N 2.91Å
823	N	28.7	Very low	29.3	Very low	142 Å²	142	140.1 Å²	140.1	76%	0.759	80%	0.795	S	S	*	*			trans	-66.6	161.9	167.5	-62.4	-3.7	0	0	0	108.5
824	K	27.7	Very low	28.8	Very low	205 Å²	205	144.4 Å²	144.4	89%	0.891	80%	0.796	S	S	*	*			cis	-161.4	176.6	42.6	-158.1	177.9	179.9	-173.5	0	110.4
825	G	28.6	Very low	28.5	Very low	69 Å²	69	145.6 Å²	145.6	71%	0.711	79%	0.793	S	S	*	*			trans	-71.5	178.2	175.7	0	0	0	0	0	115.3
826	K	26.8	Very low	28.5	Very low	224 Å²	224	147.8 Å²	147.8	97%	0.974	79%	0.79	S	S	*	*			trans	-46.5	149.1	-177.4	-70.6	178.5	171.9	-179.4	0	114.6
827	G	26.9	Very low	28.6	Very low	77 Å²	77	150.7 Å²	150.7	79%	0.794	78%	0.781	S	S	*	*			trans	-174.2	46.6	178.9	0	0	0	0	0	117.4
828	D	27.2	Very low	28.8	Very low	167 Å²	167	155 Å²	155	89%	0.893	78%	0.778	S	S	*	*			trans	73.5	156.2	153.5	-134.1	-11.2	0	0	0	123.3
829	A	28.9	Very low	28.7	Very low	76 Å²	76	150.3 Å²	150.3	63%	0.628	76%	0.761	S	S	*	*			trans	50.9	113.8	153.3	0	0	0	0	0	124.8
830	S	27.1	Very low	28.6	Very low	109 Å²	109	148.4 Å²	148.4	76%	0.762	76%	0.756	S	S	*	*				82.5	120.8	125.4	-63.4	0	0	0	0	124.1
831	K	30.5	Very low	28.5	Very low	184 Å²	184	145 Å²	145	80%	0.8	75%	0.751	S	S	*	*			trans	69.5	153	141.3	-70.3	-168.3	158	-126.9	0	119.5
832	D	28.8	Very low	28.3	Very low	94 Å²	94	143.3 Å²	143.3	50%	0.503	75%	0.747	S	S	.	*			cis	-157.6	142.1	-15.7	-124.5	-48.5	0	0	0	107.9
833	Q	29.2	Very low	29.7	Very low	160 Å²	160	139 Å²	139	75%	0.748	74%	0.738	S	S	*	*			trans	56.4	176.8	157	-69.7	158.6	54.5	0	0	119.7
834	Q	29.3	Very low	30.9	Very low	160 Å²	160	137.2 Å²	137.2	75%	0.748	74%	0.735	S	S	*	*				-165.4	175.5	-54.9	-162.5	-175.6	-35.2	0	0	107.5
835	V	29.7	Very low	31	Very low	123 Å²	123	132 Å²	132	75%	0.745	73%	0.73	S	S	*	*			trans	74.5	136	158.5	169.9	0	0	0	0	117
836	D	29.5	Very low	31.1	Very low	111 Å²	111	135.1 Å²	135.1	59%	0.594	74%	0.735	S	S	*	*			cis	-168.1	173.8	-24.3	-153.5	-11.9	0	0	0	110.5
837	R	32.4	Very low	31	Very low	192 Å²	192	128.6 Å²	128.6	73%	0.725	72%	0.723	S	S	*	*			trans	57.6	121.6	144.5	-84.5	157.5	-151.8	-118.4	-4.3	121.4
838	K	29.2	Very low	32.1	Very low	169 Å²	169	130.3 Å²	130.3	74%	0.735	72%	0.72	S	S	*	*				90.7	149.4	72.4	-88.3	-153.6	169.3	-148.5	0	112.6
839	L	29.3	Very low	32.1	Very low	102 Å²	102	130.4 Å²	130.4	53%	0.534	72%	0.719	S	S	.	*			cis	-165.8	166.4	-2.8	-152.4	65.6	0	0	0	110.5
840	E	27.4	Very low	31.9	Very low	154 Å²	154	131.2 Å²	131.2	72%	0.72	73%	0.726	S	S	*	*			trans	43.1	150	137.6	-87.6	156.7	-130	0	0	123.5
841	T	27.2	Very low	31.9	Very low	123 Å²	123	132 Å²	132	76%	0.755	73%	0.726	S	S	*	*			cis	-156.5	-178.5	-6.6	-32	0	0	0	0	110.8
842	E	23.5	Very low	31.7	Very low	170 Å²	170	132 Å²	132	79%	0.794	73%	0.729	S	S	*	*			trans	-85.7	-158.7	175.7	-23.9	174.9	121	0	0	114.2
843	P	55.3	Low	32	Very low	107 Å²	107	134.6 Å²	134.6	70%	0.695	74%	0.743	S	S	*	*			cis	-126.7	-129.2	-48.5	36.7	-16	0	0	0	109.8
844	P	54	Low	32.6	Very low	106 Å²	106	133.1 Å²	133.1	69%	0.688	75%	0.747	S	S	*	*			cis	-130.7	152.3	-41.2	36.1	-18.2	0	0	0	117.9
845	A	30.3	Very low	32.9	Very low	95 Å²	95	131.1 Å²	131.1	79%	0.785	75%	0.746	S	S	*	*			trans	55.5	152.3	135.4	0	0	0	0	0	127.8
846	V	30.3	Very low	32.9	Very low	135 Å²	135	132.3 Å²	132.3	82%	0.818	75%	0.748	S	S	*	*			trans	100.9	96.3	151.4	-166.8	0	0	0	0	122
847	A	26	Very low	33.1	Very low	87 Å²	87	134.2 Å²	134.2	72%	0.719	75%	0.753	S	S	*	*			trans	58.3	168.5	135	0	0	0	0	0	123.2
848	P	49.5	Very low	33.2	Very low	113 Å²	113	131.6 Å²	131.6	73%	0.734	75%	0.753	S	S	*	*				-139.2	176.5	-55.7	41.9	-26.5	0	0	0	116.6
849	L	26.5	Very low	33.3	Very low	168 Å²	168	130.6 Å²	130.6	88%	0.88	76%	0.755	S	S	*	*			trans	86.9	132.4	158.1	-63.1	176.8	0	0	0	123.2
850	A	25.2	Very low	33.3	Very low	93 Å²	93	128.2 Å²	128.2	77%	0.769	76%	0.756	S	S	*	*			trans	94.1	154.1	140	0	0	0	0	0	123.6
851	V	27.1	Very low	33.4	Very low	126 Å²	126	128.1 Å²	128.1	76%	0.764	76%	0.759	S	S	*	*			trans	87.1	107.3	159.2	-171.4	0	0	0	0	121.3
852	E	26.7	Very low	33.5	Very low	183 Å²	183	129.7 Å²	129.7	86%	0.855	76%	0.758	S	S	*	*			trans	51.6	159.4	133.7	-58.3	-177.6	158.3	0	0	126
853	D	34.3	Very low	33.8	Very low	150 Å²	150	130.6 Å²	130.6	80%	0.802	76%	0.762	S	S	*	*			trans	-78.7	171.8	171.2	-57.6	-69.6	0	0	0	113.1
854	P	42	Very low	32.3	Very low	128 Å²	128	128.7 Å²	128.7	83%	0.831	76%	0.763	S	S	*	*			trans	-124.4	161.3	148	37.7	-28.5	0	0	0	114.2
855	V	36.3	Very low	32.5	Very low	119 Å²	119	128.8 Å²	128.8	72%	0.721	76%	0.763	S	S	*	*			trans	-138.8	142.3	-178.7	178.2	0	0	0	0	110.1
856	D	29.8	Very low	32.6	Very low	147 Å²	147	132 Å²	132	79%	0.786	76%	0.762	S	S	*	*			trans	-132.6	136.6	159.7	-75.4	-56.1	0	0	0	107.9
857	Q	33	Very low	32.6	Very low	152 Å²	152	132.8 Å²	132.8	71%	0.71	76%	0.757	S	S	*	*			cis	76.9	130.1	43.7	-67.2	-165.3	41.1	0	0	113.1
858	L	34.5	Very low	32.9	Very low	137 Å²	137	136.4 Å²	136.4	72%	0.717	76%	0.759	S	S	*	*			cis	-150.6	177.8	-4.8	-85.7	149.9	0	0	0	106.4
859	D	31.5	Very low	32.1	Very low	147 Å²	147	139 Å²	139	79%	0.786	76%	0.761	S	S	*	*			cis	-158	-167.5	-0.2	-128.3	-27.6	0	0	0	107.5
860	G	28.1	Very low	32.3	Very low	53 Å²	53	139.5 Å²	139.5	55%	0.546	76%	0.759	S	S	.	*			cis	153.6	135.3	-5.5	0	0	0	0	0	113.7
861	L	29.9	Very low	32.6	Very low	151 Å²	151	144 Å²	144	79%	0.791	76%	0.764	S	S	*	*			trans	65.6	154.8	163	-50.6	-178.5	0	0	0	118.2
862	E	29.7	Very low	32.8	Very low	156 Å²	156	146.6 Å²	146.6	73%	0.729	77%	0.768	S	S	*	*			cis	-159.1	171.2	2.8	-133.3	158.1	-165.3	0	0	113.9
863	E	29	Very low	33.2	Very low	189 Å²	189	144.6 Å²	144.6	88%	0.883	76%	0.758	S	S	*	*			trans	67.8	163.4	157.9	-64	-170.1	153.2	0	0	124.6
864	G	25.1	Very low	33	Very low	68 Å²	68	143.9 Å²	143.9	70%	0.701	76%	0.759	S	S	*	*			trans	-159.6	-159.7	178.1	0	0	0	0	0	108.9
865	P	58.2	Low	32.5	Very low	107 Å²	107	144 Å²	144	70%	0.695	75%	0.75	S	S	*	*			cis	-135.7	-146.1	3.2	41.8	-19.1	0	0	0	113.8
866	E	31.4	Very low	32.2	Very low	162 Å²	162	145.6 Å²	145.6	76%	0.757	75%	0.747	S	S	*	*			trans	68.5	152.4	164.6	-71.5	147.5	-157.8	0	0	117.5
867	E	31.7	Very low	32.1	Very low	153 Å²	153	146 Å²	146	72%	0.715	75%	0.748	S	S	*	*			cis	-159.8	164.5	-1.1	-122.7	164.3	-166.6	0	0	111.5
868	E	32.1	Very low	31.9	Very low	163 Å²	163	143.8 Å²	143.8	76%	0.762	75%	0.749	S	S	*	*			trans	36.6	158.1	148.3	-73	176	-171	0	0	124.6
869	E	32.7	Very low	32.6	Very low	168 Å²	168	141.6 Å²	141.6	79%	0.785	74%	0.743	S	S	*	*			cis	-164	-167.5	-27.9	-124.8	-171.8	-168	0	0	111.4
870	E	29.1	Very low	32.4	Very low	177 Å²	177	145.8 Å²	145.8	83%	0.827	75%	0.748	S	S	*	*			trans	67.4	125	172.9	-53.9	-172	157.7	0	0	118.1
871	E	33.3	Very low	32.5	Very low	187 Å²	187	147.3 Å²	147.3	87%	0.874	75%	0.75	S	S	*	*				80.7	145.1	51.7	-60.6	-150	156.7	0	0	114.2
872	E	31.1	Very low	32.4	Very low	181 Å²	181	147.5 Å²	147.5	85%	0.846	75%	0.752	S	S	*	*			cis	-135.8	174.4	26.4	-80.3	-169	121.2	0	0	116.7
873	E	33.7	Very low	32.4	Very low	142 Å²	142	145.4 Å²	145.4	66%	0.664	76%	0.755	S	S	*	*			trans	-19.1	174.5	155.7	-101.1	-155.3	-179	0	0	121.8
874	V	30.6	Very low	33.5	Very low	134 Å²	134	141.3 Å²	141.3	81%	0.812	75%	0.745	S	S	*	*			cis	-142.3	161.4	39	-179.6	0	0	0	0	113.2
875	M	31.6	Very low	33.9	Very low	131 Å²	131	148.4 Å²	148.4	65%	0.645	75%	0.75	S	S	*	*			trans	-119.1	156.9	-168.9	-168.1	-155.2	-57.6	0	0	113.4
876	K	29.8	Very low	32.8	Very low	153 Å²	153	149 Å²	149	67%	0.665	75%	0.748	S	S	*	*			trans	126.4	120.4	140.3	-67.6	158.7	-173.2	149.8	0	120.3
877	I	29	Very low	32.9	Very low	156 Å²	156	148.1 Å²	148.1	80%	0.8	75%	0.747	S	S	*	*				66.3	135.4	121.3	-53.6	167.8	0	0	0	122.1
878	S	28.5	Very low	33	Very low	105 Å²	105	148.8 Å²	148.8	73%	0.734	75%	0.751	S	S	*	*			trans	-48.2	-169.4	162.2	-134	0	0	0	0	116.6
879	P	48.3	Very low	33.1	Very low	91 Å²	91	147 Å²	147	59%	0.591	75%	0.746	S	S	*	*			cis	-142.2	-175.2	-1.4	43.6	-25.1	0	0	0	117.2
880	R	28.7	Very low	33.3	Very low	234 Å²	234	146 Å²	146	88%	0.883	75%	0.745	S	S	*	*			trans	66.8	164.5	151.7	-79.7	169.8	-173	163.1	1.9	117
881	S	28.9	Very low	34.7	Very low	86 Å²	86	142.5 Å²	142.5	60%	0.601	74%	0.737	S	S	*	*			cis	-158.9	178.9	-17.7	45	0	0	0	0	111.1
882	D	27.2	Very low	34.7	Very low	154 Å²	154	141.6 Å²	141.6	82%	0.824	73%	0.733	S	S	*	*			trans	79.2	145.2	152.4	-56.1	-48.8	0	0	0	122.3
883	S	31.6	Very low	35.1	Very low	112 Å²	112	141.2 Å²	141.2	78%	0.783	73%	0.731	S	S	*	*			trans	-110.9	-172.7	168.5	-146	0	0	0	0	106.3
884	P	51.6	Low	35.5	Very low	104 Å²	104	138.9 Å²	138.9	68%	0.675	73%	0.731	S	S	*	*			cis	-142.1	-152.1	9.5	34.5	-8	0	0	0	113.9
885	R	32.6	Very low	36.1	Very low	216 Å²	216	141.3 Å²	141.3	82%	0.815	73%	0.733	S	S	*	*			trans	86	152.1	162.1	-58.4	-161.6	158.9	152	-1.4	118.3
886	D	35.9	Very low	36.8	Very low	121 Å²	121	144.8 Å²	144.8	65%	0.647	77%	0.771	S	S	*	*			cis	-165.1	155.4	-25.7	-102.4	-25.8	0	0	0	110.2
887	L	33	Very low	37.2	Very low	142 Å²	142	144.4 Å²	144.4	74%	0.743	78%	0.776	S	S	*	*			trans	69.4	158.6	145.5	-74.6	167.5	0	0	0	123.6
888	Q	33.5	Very low	37.6	Very low	168 Å²	168	143.8 Å²	143.8	79%	0.785	78%	0.775	S	S	*	*			trans	76.3	149.1	156.4	-74.7	164.3	-0.3	0	0	121.9
889	D	34	Very low	38.1	Very low	124 Å²	124	145.9 Å²	145.9	66%	0.663	78%	0.777	S	S	*	*			cis	-170.9	131.7	-45.3	-114	-33.3	0	0	0	114.2
890	I	38.5	Very low	37.5	Very low	149 Å²	149	149.2 Å²	149.2	76%	0.764	79%	0.788	S	S	*	*			trans	55.3	-172	155.8	-7.8	-178	0	0	0	119.4
891	P	56.9	Low	38.1	Very low	103 Å²	103	143.9 Å²	143.9	67%	0.669	78%	0.782	S	S	*	*				-135.2	-165.3	-123.7	47.2	-26.2	0	0	0	116.3
892	E	34.5	Very low	38.7	Very low	167 Å²	167	147.7 Å²	147.7	78%	0.78	79%	0.794	S	S	*	*				174.8	131.4	121.3	-92	176.9	-173.6	0	0	108.5
893	E	38.5	Very low	39.5	Very low	173 Å²	173	147.3 Å²	147.3	81%	0.808	79%	0.792	S	S	*	*				65.4	149.4	97.8	-62.4	-155.7	177	0	0	115.4
894	S	41.5	Very low	40.1	Very low	94 Å²	94	150 Å²	150	66%	0.657	79%	0.792	S	S	*	*			cis	-155.2	165.5	5.1	12.1	0	0	0	0	113.4
895	E	44	Very low	39.2	Very low	185 Å²	185	153.8 Å²	153.8	86%	0.864	80%	0.802	S	S	*	*			trans	42	115.3	147.4	-61.9	-175.6	155.2	0	0	123.2
896	S	47.2	Very low	39.8	Very low	204 Å²	204	148.2 Å²	148.2	100%	1.427	80%	0.801	S	S	*	*				-168.1	0	123.8	-76.8	0	0	0	0	111.3

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