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Thymidine phosphorylase

Catalyzes the reversible phosphorolysis of thymidine. The produced molecules are then utilized as carbon and energy sources or in the rescue of pyrimidine bases for nucleotide synthesis (By similarity).

AlphaFold DB , UniProt , Accession Q99N42, Species MOUSE (Mus musculus, Mouse), Gene Tymp, Length 471 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.8	Very low	41.2	Very low	249 Å²	249	121.5 Å²	121.5	100%	1.227	83%	0.827	S	S	*	*				0	88	0	-73.7	-167.9	-86.7	0	0	108
2	A	40	Very low	40.4	Very low	100 Å²	100	121.8 Å²	121.8	83%	0.826	83%	0.831	S	S	*	*			trans	-133	116.5	174.3	0	0	0	0	0	105.8
3	A	41.4	Very low	39.9	Very low	98 Å²	98	118.1 Å²	118.1	81%	0.81	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-70.4	139.5	-178.4	0	0	0	0	0	110.1
4	P	46.1	Very low	39.3	Very low	128 Å²	128	114.9 Å²	114.9	83%	0.831	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-75.2	132.7	173.8	25.5	-20.5	0	0	0	109.8
5	G	48.4	Very low	38.9	Very low	73 Å²	73	112.8 Å²	112.8	75%	0.753	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-59.3	138.5	-171.3	0	0	0	0	0	114.5
6	T	40.4	Very low	39.1	Very low	136 Å²	136	110.8 Å²	110.8	83%	0.834	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-50.3	133.1	159.7	10.4	0	0	0	0	110.7
7	P	42.4	Very low	40.2	Very low	109 Å²	109	107.5 Å²	107.5	71%	0.708	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-68	152.6	170.7	30.7	-31.3	0	0	0	109.3
8	P	39.7	Very low	41.8	Very low	111 Å²	111	111.5 Å²	111.5	72%	0.721	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-65.5	153.1	178.2	29.9	-33.1	0	0	0	109.8	S10	P8-S10 PolarHBondContact O-N 3.2Å
9	P	37.1	Very low	43.8	Very low	123 Å²	123	110.9 Å²	110.9	80%	0.799	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-60.2	125.8	176.1	25.8	-31.6	0	0	0	108.7	A11	P9-A11 PolarHBondContact O-N 2.96Å; P9-A11 VanDerWaalsContact O-N 3.16Å
10	S	39	Very low	46.2	Very low	110 Å²	110	109.3 Å²	109.3	77%	0.769	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-50.5	122.2	169.4	53.7	0	0	0	0	108.6	P8 S12	P8-S10 PolarHBondContact O-N 3.2Å; S10-S12 PolarHBondContact O-N 3.16Å
11	A	37.9	Very low	48.5	Very low	99 Å²	99	110.8 Å²	110.8	82%	0.818	77%	0.771	S	S	*	*			trans	-51.8	111.4	173.7	0	0	0	0	0	109.2	P9 G13	P9-A11 PolarHBondContact O-N 2.96Å; P9-A11 VanDerWaalsContact O-N 3.16Å; A11-G13 PolarHBondContact O-N 3.11Å
12	S	32	Very low	51.2	Low	126 Å²	126	99.8 Å²	99.8	88%	0.881	72%	0.717	S	S	*	*			trans	-65.4	86.7	165.5	52.1	0	0	0	0	108.3	S10	S10-S12 PolarHBondContact O-N 3.16Å
13	G	33.5	Very low	54	Low	73 Å²	73	98.5 Å²	98.5	75%	0.753	70%	0.7	S	S	*	*			trans	-96.4	102.6	177.4	0	0	0	0	0	112	A11	A11-G13 PolarHBondContact O-N 3.11Å
14	G	31.9	Very low	56.7	Low	74 Å²	74	97.5 Å²	97.5	76%	0.763	68%	0.679	S	S	*	*			trans	56	90.2	142	0	0	0	0	0	120.3	G16	G14-G16 PolarHBondContact O-N 2.99Å
15	G	33.5	Very low	59.1	Low	83 Å²	83	91.4 Å²	91.4	86%	0.856	64%	0.639	S	S	*	*			trans	49.3	39.8	130.8	0	0	0	0	0	120.2	G17	G15-G17 VanDerWaalsContact C-N 3.34Å; G15-G17 PolarHBondContact O-N 2.9Å; G15-G17 VanDerWaalsContact O-N 3.11Å
16	G	40.9	Very low	61.5	Low	80 Å²	80	89.2 Å²	89.2	83%	0.825	61%	0.61	S	S	*	*			trans	-79.8	76.9	168.1	0	0	0	0	0	111.6	G14	G14-G16 PolarHBondContact O-N 2.99Å
17	G	58.5	Low	64.3	Low	56 Å²	56	89 Å²	89	58%	0.577	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-61.8	146.2	168.4	0	0	0	0	0	110.8	G15	G15-G17 VanDerWaalsContact C-N 3.34Å; G15-G17 PolarHBondContact O-N 2.9Å; G15-G17 VanDerWaalsContact O-N 3.11Å
18	E	68.8	Low	67	Low	179 Å²	179	86.2 Å²	86.2	84%	0.836	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-46.3	143.4	178.7	-86.6	-172.6	149.6	0	0	112.2	R20	E18-R20 PolarHBondContact O-N 3.41Å; E18-R20 VanDerWaalsContact O-N 3.08Å
19	P	80.8	Confident	69.8	Low	100 Å²	100	81.2 Å²	81.2	65%	0.649	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-59.8	117.8	177.3	22.5	-29.8	0	0	0	109.7
20	R	90.7	Very high	72.7	Confident	78 Å²	78	82 Å²	82	29%	0.294	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-56.5	143.4	177.5	-71.1	179	-174.8	143.9	-6.6	110.6	E18 E24 L25 D39 N42	E18-R20 PolarHBondContact O-N 3.41Å; E18-R20 VanDerWaalsContact O-N 3.08Å; R20-E24 HydrophobicContact CB-CB 4.41Å; R20-L25 HydrophobicContact CB-CD2 3.56Å; R20-L25 HydrophobicContact CB-CG 4.11Å; R20-L25 HydrophobicContact CG-CD2 4.28Å; R20-D39 IonicContact CZ-OD1 3.33Å; R20-D39 IonicContact CZ-OD2 3.85Å; R20-D39 IonicContact NE-OD1 3.02Å; R20-D39 IonicContact NH1-OD1 2.59Å; R20-D39 PolarHBondContact NH1-OD1 3.44Å; R20-D39 IonicContact NH1-OD2 2.93Å; R20-D39 PolarHBondContact NH1-OD2 3.08Å; R20-N42 PolarHBondContact O-ND2 2.94Å
21	Q	95	Very high	75.5	Confident	142 Å²	142	81.6 Å²	81.6	66%	0.664	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-70.2	152.7	175.2	-60.3	-165.1	10	0	0	111	P23 E24 L25	Q21-P23 VanDerWaalsContact C-CD 3.5Å; Q21-E24 HydrophobicContact CB-CG 4.43Å; Q21-E24 PolarHBondContact N-OE2 3.08Å; Q21-E24 WeakPolarHBondContact O-CB 3.34Å; Q21-E24 PolarHBondContact O-N 2.94Å; Q21-L25 PolarHBondContact O-N 3.41Å; Q21-L25 VanDerWaalsContact O-N 3.14Å
22	L	97.3	Very high	78.4	Confident	17 Å²	17	79 Å²	79	9%	0.089	50%	0.499	C	S	.	.	H	α-helix	trans	-52.2	-44.1	-178.7	-71.6	177.5	0	0	0	114.1	E24 L25 I26 F43 A46 A52	L22-E24 PolarHBondContact O-N 2.94Å; L22-L25 HydrophobicContact CD2-CD1 4.41Å; L22-L25 PolarHBondContact O-N 2.97Å; L22-I26 VanDerWaalsContact O-CG1 3.32Å; L22-I26 WeakPolarHBondContact O-CG1 3.37Å; L22-I26 PolarHBondContact O-N 3Å; L22-F43 HydrophobicContact CD2-CD2 3.85Å; L22-A46 HydrophobicContact CD1-CB 4.03Å; L22-A46 HydrophobicContact CD2-CB 4.04Å; L22-A46 HydrophobicContact CG-CB 4.38Å; L22-A52 HydrophobicContact CD1-CB 3.67Å
23	P	98	Very high	81.5	Confident	73 Å²	73	73.8 Å²	73.8	47%	0.474	47%	0.465	S	S	.	.	H	α-helix	trans	-60.8	-31.7	176.6	-24.4	36	0	0	0	113.6	Q21 R27	Q21-P23 VanDerWaalsContact C-CD 3.5Å; P23-R27 WeakPolarHBondContact O-CB 3.26Å; P23-R27 PolarHBondContact O-N 3.34Å
24	E	97.9	Very high	84.6	Confident	77 Å²	77	73.9 Å²	73.9	36%	0.36	45%	0.446	S	S	.	.	H	α-helix	trans	-73.1	-38.4	177.5	-57.5	-172.7	136	0	0	111.9	R20 Q21 L22 R27 L28	R20-E24 HydrophobicContact CB-CB 4.41Å; Q21-E24 HydrophobicContact CB-CG 4.43Å; Q21-E24 PolarHBondContact N-OE2 3.08Å; Q21-E24 WeakPolarHBondContact O-CB 3.34Å; Q21-E24 PolarHBondContact O-N 2.94Å; L22-E24 PolarHBondContact O-N 2.94Å; E24-R27 PolarHBondContact O-N 3.21Å; E24-L28 WeakPolarHBondContact O-CB 3.42Å; E24-L28 PolarHBondContact O-N 2.9Å
25	L	98	Very high	87.7	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	41%	0.411	C	S	.	.	H	α-helix	trans	-62.1	-45.7	172.9	-61.6	-172.2	0	0	0	111	R20 Q21 L22 L28 K29 L35 D39 F43 M60	R20-L25 HydrophobicContact CB-CD2 3.56Å; R20-L25 HydrophobicContact CB-CG 4.11Å; R20-L25 HydrophobicContact CG-CD2 4.28Å; Q21-L25 PolarHBondContact O-N 3.41Å; Q21-L25 VanDerWaalsContact O-N 3.14Å; L22-L25 HydrophobicContact CD2-CD1 4.41Å; L22-L25 PolarHBondContact O-N 2.97Å; L25-L28 PolarHBondContact O-N 3.27Å; L25-K29 PolarHBondContact O-N 2.94Å; L25-L35 HydrophobicContact CB-CD2 4.32Å; L25-L35 HydrophobicContact CD2-CD2 4.19Å; L25-D39 HydrophobicContact CD1-CB 4.5Å; L25-D39 WeakPolarHBondContact CD1-O 3.38Å; L25-D39 HydrophobicContact CD2-CB 3.62Å; L25-F43 HydrophobicContact CD1-CB 4.26Å; L25-M60 HydrophobicContact CB-CE 3.77Å
26	I	98.6	Very high	90.8	Very high	28 Å²	28	71.6 Å²	71.6	14%	0.144	39%	0.389	C	S	.	.	H	α-helix	trans	-61.5	-46.5	176.7	-66.8	163.6	0	0	0	110.2	L22 L28 K29 R30 Q56 A59 M60	L22-I26 VanDerWaalsContact O-CG1 3.32Å; L22-I26 WeakPolarHBondContact O-CG1 3.37Å; L22-I26 PolarHBondContact O-N 3Å; I26-L28 PolarHBondContact O-N 2.91Å; I26-K29 PolarHBondContact O-N 3.26Å; I26-R30 VanDerWaalsContact O-CB 3.23Å; I26-R30 WeakPolarHBondContact O-CB 3.48Å; I26-R30 PolarHBondContact O-N 3.39Å; I26-Q56 HydrophobicContact CD1-CB 3.97Å; I26-Q56 HydrophobicContact CD1-CG 4.38Å; I26-Q56 WeakPolarHBondContact CD1-O 2.78Å; I26-A59 HydrophobicContact CD1-CB 4.2Å; I26-A59 HydrophobicContact CG2-CB 4.03Å; I26-M60 HydrophobicContact CG1-CB 4.06Å; I26-M60 HydrophobicContact CG1-CE 3.87Å
27	R	98.6	Very high	93.5	Very high	131 Å²	131	71.5 Å²	71.5	49%	0.494	37%	0.367	S	S	.	.	H	α-helix	trans	-57.4	-48.9	176.2	-179.7	-179.2	64.1	-166.4	-5.9	111.1	P23 E24 K29 R30 D31	P23-R27 WeakPolarHBondContact O-CB 3.26Å; P23-R27 PolarHBondContact O-N 3.34Å; E24-R27 PolarHBondContact O-N 3.21Å; R27-K29 VanDerWaalsContact C-N 3.32Å; R27-K29 PolarHBondContact O-N 3.14Å; R27-R30 PolarHBondContact O-N 2.89Å; R27-D31 WeakPolarHBondContact O-CB 3.32Å; R27-D31 VanDerWaalsContact O-CG 3.25Å; R27-D31 PolarHBondContact O-N 3.04Å
28	L	98.4	Very high	95.3	Very high	51 Å²	51	71.9 Å²	71.9	27%	0.267	37%	0.365	S	S	.	.	H	α-helix	trans	-57.1	-47.4	179.7	-177.9	62.7	0	0	0	111	E24 L25 I26 D31 G33 L35	E24-L28 WeakPolarHBondContact O-CB 3.42Å; E24-L28 PolarHBondContact O-N 2.9Å; L25-L28 PolarHBondContact O-N 3.27Å; I26-L28 PolarHBondContact O-N 2.91Å; L28-D31 PolarHBondContact O-N 3.29Å; L28-G33 VanDerWaalsContact O-CA 3.29Å; L28-G33 WeakPolarHBondContact O-CA 3.31Å; L28-G33 PolarHBondContact O-N 2.94Å; L28-L35 HydrophobicContact CD2-CD2 4.16Å
29	K	98.6	Very high	96.7	Very high	6 Å²	6	63.5 Å²	63.5	3%	0.026	33%	0.326	C	S	.	.	H	α-helix	trans	-71.9	-37.7	-178.4	-163.3	63.2	-173.6	168.4	0	113.1	L25 I26 R27 D31 G32 G33 L35 M60 A63 I64 Q67 G68 E73	L25-K29 PolarHBondContact O-N 2.94Å; I26-K29 PolarHBondContact O-N 3.26Å; R27-K29 VanDerWaalsContact C-N 3.32Å; R27-K29 PolarHBondContact O-N 3.14Å; K29-D31 PolarHBondContact O-N 3.4Å; K29-G32 PolarHBondContact O-N 2.89Å; K29-G32 VanDerWaalsContact O-N 3.11Å; K29-G33 WeakPolarHBondContact CD-O 3.29Å; K29-G33 PolarHBondContact NZ-O 2.71Å; K29-L35 HydrophobicContact CB-CD1 4.21Å; K29-L35 HydrophobicContact CB-CG 4.43Å; K29-L35 HydrophobicContact CD-CD1 3.9Å; K29-L35 HydrophobicContact CD-CG 4.05Å; K29-L35 HydrophobicContact CG-CD1 4.17Å; K29-M60 HydrophobicContact CB-SD 4.05Å; K29-M60 HydrophobicContact CG-SD 4.3Å; K29-A63 HydrophobicContact CB-CB 4.23Å; K29-A63 HydrophobicContact CG-CB 4.28Å; K29-I64 HydrophobicContact CG-CG1 4.05Å; K29-Q67 WeakPolarHBondContact O-CG 3.47Å; K29-G68 WeakPolarHBondContact CE-O 3.49Å; K29-G68 PolarHBondContact NZ-O 3.47Å; K29-E73 VanDerWaalsContact NZ-CD 3.32Å; K29-E73 IonicContact NZ-OE1 2.6Å; K29-E73 PolarHBondContact NZ-OE1 2.95Å; K29-E73 IonicContact NZ-OE2 3.75Å; K29-E73 PolarHBondContact NZ-OE2 3.34Å; K29-E73 VanDerWaalsContact NZ-OE2 3.12Å
30	R	98.5	Very high	97.5	Very high	140 Å²	140	58.9 Å²	58.9	53%	0.528	30%	0.296	S	S	.	.	H	α-helix	trans	-55.6	-40.2	173.5	-179.5	-156.8	68.7	-176.4	-0.8	111.4	I26 R27 G32 A63	I26-R30 VanDerWaalsContact O-CB 3.23Å; I26-R30 WeakPolarHBondContact O-CB 3.48Å; I26-R30 PolarHBondContact O-N 3.39Å; R27-R30 PolarHBondContact O-N 2.89Å; R30-G32 PolarHBondContact O-N 2.94Å; R30-A63 HydrophobicContact CB-CB 4.37Å
31	D	98.6	Very high	97.8	Very high	100 Å²	100	58 Å²	58	54%	0.535	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	13.3	-178	-61.9	-18.1	0	0	0	113	R27 L28 K29 G33	R27-D31 WeakPolarHBondContact O-CB 3.32Å; R27-D31 VanDerWaalsContact O-CG 3.25Å; R27-D31 PolarHBondContact O-N 3.04Å; L28-D31 PolarHBondContact O-N 3.29Å; K29-D31 PolarHBondContact O-N 3.4Å; D31-G33 VanDerWaalsContact C-N 3.26Å; D31-G33 PolarHBondContact O-N 3.05Å
32	G	98.2	Very high	98	Very high	44 Å²	44	52.8 Å²	52.8	45%	0.454	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	9	179	0	0	0	0	0	114.2	K29 R30	K29-G32 PolarHBondContact O-N 2.89Å; K29-G32 VanDerWaalsContact O-N 3.11Å; R30-G32 PolarHBondContact O-N 2.94Å
33	G	98.1	Very high	98	Very high	18 Å²	18	52.4 Å²	52.4	19%	0.186	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-69.4	157	178.8	0	0	0	0	0	113.3	L28 K29 D31	L28-G33 VanDerWaalsContact O-CA 3.29Å; L28-G33 WeakPolarHBondContact O-CA 3.31Å; L28-G33 PolarHBondContact O-N 2.94Å; K29-G33 WeakPolarHBondContact CD-O 3.29Å; K29-G33 PolarHBondContact NZ-O 2.71Å; D31-G33 VanDerWaalsContact C-N 3.26Å; D31-G33 PolarHBondContact O-N 3.05Å
34	H	97.3	Very high	98	Very high	75 Å²	75	49 Å²	49	35%	0.347	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-87.5	127.5	175.8	175.2	79.2	0	0	0	110.9	N70 E73	H34-N70 PolarHBondContact CE1-ND2 3.49Å; H34-N70 PolarHBondContact ND1-ND2 2.85Å; H34-E73 WeakPolarHBondContact CE1-CG 3.33Å; H34-E73 VanDerWaalsContact ND1-CD 3.35Å; H34-E73 VanDerWaalsContact ND1-CG 3.3Å; H34-E73 WeakPolarHBondContact ND1-CG 3.27Å; H34-E73 IonicContact ND1-OE1 3.82Å; H34-E73 IonicContact ND1-OE2 3.09Å
35	L	98.2	Very high	97.9	Very high	7 Å²	7	49.8 Å²	49.8	4%	0.037	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-84.3	124.6	172.8	-67.2	168.2	0	0	0	109.8	L25 L28 K29 D39 I40 M60 E73	L25-L35 HydrophobicContact CB-CD2 4.32Å; L25-L35 HydrophobicContact CD2-CD2 4.19Å; L28-L35 HydrophobicContact CD2-CD2 4.16Å; K29-L35 HydrophobicContact CB-CD1 4.21Å; K29-L35 HydrophobicContact CB-CG 4.43Å; K29-L35 HydrophobicContact CD-CD1 3.9Å; K29-L35 HydrophobicContact CD-CG 4.05Å; K29-L35 HydrophobicContact CG-CD1 4.17Å; L35-D39 HydrophobicContact CB-CB 4.29Å; L35-D39 HydrophobicContact CD2-CB 4.03Å; L35-I40 HydrophobicContact CB-CD1 4.19Å; L35-I40 HydrophobicContact CB-CG1 3.72Å; L35-I40 HydrophobicContact CD1-CG1 4.4Å; L35-M60 HydrophobicContact CD1-CE 4.36Å; L35-M60 HydrophobicContact CD1-SD 4.31Å; L35-E73 PolarHBondContact N-OE1 3.33Å
36	R	97.3	Very high	97.9	Very high	101 Å²	101	49.8 Å²	49.8	38%	0.381	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-72.6	165.9	174.7	-54.5	167.9	-63.2	162.6	6.4	109.8	A38 D39 I40	R36-A38 VanDerWaalsContact C-N 3.32Å; R36-A38 PolarHBondContact O-N 3Å; R36-D39 VanDerWaalsContact CB-OD2 3.27Å; R36-D39 WeakPolarHBondContact CB-OD2 3.41Å; R36-D39 WeakPolarHBondContact CG-OD2 3.49Å; R36-D39 IonicContact CZ-OD1 2.9Å; R36-D39 IonicContact CZ-OD2 3.72Å; R36-D39 PolarHBondContact N-OD2 3Å; R36-D39 IonicContact NE-OD1 3.53Å; R36-D39 IonicContact NE-OD2 2.94Å; R36-D39 PolarHBondContact NE-OD2 3.41Å; R36-D39 IonicContact NH2-OD1 2.67Å; R36-D39 PolarHBondContact NH2-OD1 2.91Å; R36-D39 IonicContact NH2-OD2 3.61Å; R36-D39 WeakPolarHBondContact O-CA 3.27Å; R36-D39 VanDerWaalsContact O-CB 3.31Å; R36-D39 WeakPolarHBondContact O-CB 3.34Å; R36-D39 PolarHBondContact O-N 3.24Å; R36-I40 PolarHBondContact O-N 2.84Å
37	E	97.3	Very high	97.9	Very high	79 Å²	79	48.8 Å²	48.8	37%	0.369	24%	0.243	S	C	.	.	H	α-helix	trans	-56.1	-44.3	178.9	171	162.6	-174.9	0	0	113.9	D39 I40 R41 V76	E37-D39 PolarHBondContact O-N 3.18Å; E37-I40 PolarHBondContact O-N 2.89Å; E37-R41 HydrophobicContact CG-CG 4.28Å; E37-R41 WeakPolarHBondContact O-CB 3.33Å; E37-R41 WeakPolarHBondContact O-CG 3.41Å; E37-R41 PolarHBondContact O-N 3.37Å; E37-R41 IonicContact OE1-CZ 3.04Å; E37-R41 IonicContact OE1-NE 3.71Å; E37-R41 PolarHBondContact OE1-NE 3.22Å; E37-R41 IonicContact OE1-NH2 3.75Å; E37-R41 PolarHBondContact OE1-NH2 3Å; E37-V76 HydrophobicContact CB-CG1 3.95Å; E37-V76 HydrophobicContact CB-CG2 4.11Å; E37-V76 HydrophobicContact CG-CG1 3.72Å; E37-V76 HydrophobicContact CG-CG2 4.34Å
38	A	97.2	Very high	97.7	Very high	64 Å²	64	45.2 Å²	45.2	53%	0.529	23%	0.233	S	C	.	.	H	α-helix	trans	-60.2	-34.2	176.2	0	0	0	0	0	112.8	R36 N42	R36-A38 VanDerWaalsContact C-N 3.32Å; R36-A38 PolarHBondContact O-N 3Å; A38-N42 VanDerWaalsContact O-CB 3.26Å; A38-N42 WeakPolarHBondContact O-CB 3.49Å; A38-N42 PolarHBondContact O-N 3.45Å
39	D	97.9	Very high	97.5	Very high	3 Å²	3	47.8 Å²	47.8	2%	0.016	25%	0.247	C	C	.	.	H	α-helix	trans	-69.8	-45.1	178.7	-58	-47.6	0	0	0	110.6	R20 L25 L35 R36 E37 N42 F43	R20-D39 IonicContact CZ-OD1 3.33Å; R20-D39 IonicContact CZ-OD2 3.85Å; R20-D39 IonicContact NE-OD1 3.02Å; R20-D39 IonicContact NH1-OD1 2.59Å; R20-D39 PolarHBondContact NH1-OD1 3.44Å; R20-D39 IonicContact NH1-OD2 2.93Å; R20-D39 PolarHBondContact NH1-OD2 3.08Å; L25-D39 HydrophobicContact CD1-CB 4.5Å; L25-D39 WeakPolarHBondContact CD1-O 3.38Å; L25-D39 HydrophobicContact CD2-CB 3.62Å; L35-D39 HydrophobicContact CB-CB 4.29Å; L35-D39 HydrophobicContact CD2-CB 4.03Å; R36-D39 VanDerWaalsContact CB-OD2 3.27Å; R36-D39 WeakPolarHBondContact CB-OD2 3.41Å; R36-D39 WeakPolarHBondContact CG-OD2 3.49Å; R36-D39 IonicContact CZ-OD1 2.9Å; R36-D39 IonicContact CZ-OD2 3.72Å; R36-D39 PolarHBondContact N-OD2 3Å; R36-D39 IonicContact NE-OD1 3.53Å; R36-D39 IonicContact NE-OD2 2.94Å; R36-D39 PolarHBondContact NE-OD2 3.41Å; R36-D39 IonicContact NH2-OD1 2.67Å; R36-D39 PolarHBondContact NH2-OD1 2.91Å; R36-D39 IonicContact NH2-OD2 3.61Å; R36-D39 WeakPolarHBondContact O-CA 3.27Å; R36-D39 VanDerWaalsContact O-CB 3.31Å; R36-D39 WeakPolarHBondContact O-CB 3.34Å; R36-D39 PolarHBondContact O-N 3.24Å; E37-D39 PolarHBondContact O-N 3.18Å; D39-N42 PolarHBondContact O-N 3.14Å; D39-F43 PolarHBondContact O-N 3.18Å
40	I	98.2	Very high	97.3	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.015	28%	0.276	C	S	.	.	H	α-helix	trans	-64.3	-47.1	178.6	-63.1	172.2	0	0	0	110.5	L35 R36 E37 N42 F43 V44 M69 E73 V76 L77 A80	L35-I40 HydrophobicContact CB-CD1 4.19Å; L35-I40 HydrophobicContact CB-CG1 3.72Å; L35-I40 HydrophobicContact CD1-CG1 4.4Å; R36-I40 PolarHBondContact O-N 2.84Å; E37-I40 PolarHBondContact O-N 2.89Å; I40-N42 VanDerWaalsContact C-N 3.34Å; I40-N42 PolarHBondContact O-N 2.95Å; I40-F43 PolarHBondContact O-N 3.13Å; I40-V44 HydrophobicContact CG2-CG2 4.49Å; I40-V44 WeakPolarHBondContact O-CG2 3.49Å; I40-V44 PolarHBondContact O-N 3.44Å; I40-M69 HydrophobicContact CD1-CE 3.92Å; I40-M69 HydrophobicContact CG1-CE 4.41Å; I40-E73 HydrophobicContact CD1-CB 4.2Å; I40-E73 HydrophobicContact CD1-CG 4.3Å; I40-V76 HydrophobicContact CB-CG1 3.95Å; I40-V76 HydrophobicContact CD1-CB 3.91Å; I40-V76 HydrophobicContact CD1-CG1 3.89Å; I40-V76 HydrophobicContact CG1-CG1 4.5Å; I40-V76 HydrophobicContact CG2-CG1 3.97Å; I40-L77 HydrophobicContact CG2-CB 4.03Å; I40-L77 HydrophobicContact CG2-CD1 3.95Å; I40-A80 HydrophobicContact CG2-CB 4.45Å
41	R	97.6	Very high	97.2	Very high	60 Å²	60	49.8 Å²	49.8	23%	0.226	27%	0.274	C	S	.	.	H	α-helix	trans	-61.5	-42	177.8	-72	-179.2	172.7	-76.6	0	111.9	E37 F43 V44 H45 A80 E83	E37-R41 HydrophobicContact CG-CG 4.28Å; E37-R41 WeakPolarHBondContact O-CB 3.33Å; E37-R41 WeakPolarHBondContact O-CG 3.41Å; E37-R41 PolarHBondContact O-N 3.37Å; E37-R41 IonicContact OE1-CZ 3.04Å; E37-R41 IonicContact OE1-NE 3.71Å; E37-R41 PolarHBondContact OE1-NE 3.22Å; E37-R41 IonicContact OE1-NH2 3.75Å; E37-R41 PolarHBondContact OE1-NH2 3Å; R41-F43 PolarHBondContact O-N 2.99Å; R41-V44 PolarHBondContact O-N 2.96Å; R41-H45 WeakPolarHBondContact O-CB 3.4Å; R41-H45 PolarHBondContact O-N 2.91Å; R41-A80 HydrophobicContact CG-CB 4.25Å; R41-E83 IonicContact CZ-OE2 3.77Å; R41-E83 VanDerWaalsContact CZ-OE2 3.24Å; R41-E83 IonicContact NH1-OE2 3.4Å; R41-E83 PolarHBondContact NH1-OE2 3.19Å; R41-E83 IonicContact NH2-OE1 2.91Å; R41-E83 IonicContact NH2-OE2 2.79Å; R41-E83 PolarHBondContact NH2-OE2 3.47Å
42	N	97.3	Very high	97.2	Very high	31 Å²	31	45.4 Å²	45.4	17%	0.166	25%	0.251	C	S	.	.	H	α-helix	trans	-61.5	-43	175.8	-176.7	36.4	0	0	0	112	R20 A38 D39 I40 A46	R20-N42 PolarHBondContact O-ND2 2.94Å; A38-N42 VanDerWaalsContact O-CB 3.26Å; A38-N42 WeakPolarHBondContact O-CB 3.49Å; A38-N42 PolarHBondContact O-N 3.45Å; D39-N42 PolarHBondContact O-N 3.14Å; I40-N42 VanDerWaalsContact C-N 3.34Å; I40-N42 PolarHBondContact O-N 2.95Å; N42-A46 WeakPolarHBondContact O-CB 3.41Å; N42-A46 PolarHBondContact O-N 3.24Å
43	F	98.3	Very high	97.2	Very high	10 Å²	10	49.4 Å²	49.4	4%	0.044	26%	0.258	C	S	.	.	H	α-helix	trans	-60	-50.3	174.5	172.3	-110	0	0	0	111.6	L22 L25 D39 I40 R41 H45 A46 V47 M60 L184	L22-F43 HydrophobicContact CD2-CD2 3.85Å; L25-F43 HydrophobicContact CD1-CB 4.26Å; D39-F43 PolarHBondContact O-N 3.18Å; I40-F43 PolarHBondContact O-N 3.13Å; R41-F43 PolarHBondContact O-N 2.99Å; F43-H45 PolarHBondContact O-N 2.96Å; F43-A46 WeakPolarHBondContact O-CB 3.49Å; F43-A46 PolarHBondContact O-N 3.03Å; F43-A46 VanDerWaalsContact O-N 3.14Å; F43-V47 HydrophobicContact CD2-CG2 4.36Å; F43-V47 HydrophobicContact CE1-CG2 4.16Å; F43-V47 HydrophobicContact CE2-CG2 3.91Å; F43-V47 HydrophobicContact CZ-CG2 3.8Å; F43-V47 WeakPolarHBondContact O-CG2 3.28Å; F43-V47 PolarHBondContact O-N 3.02Å; F43-M60 HydrophobicContact CD1-CG 4.39Å; F43-M60 HydrophobicContact CD2-CE 4.45Å; F43-M60 HydrophobicContact CD2-CG 4.26Å; F43-M60 HydrophobicContact CE1-CG 3.94Å; F43-M60 HydrophobicContact CE2-CB 3.79Å; F43-M60 HydrophobicContact CE2-CG 3.8Å; F43-M60 HydrophobicContact CZ-CB 3.83Å; F43-M60 HydrophobicContact CZ-CG 3.63Å; F43-L184 HydrophobicContact CE1-CD1 4.5Å; F43-L184 HydrophobicContact CE1-CD2 4.24Å; F43-L184 HydrophobicContact CZ-CD2 4.13Å
44	V	98.1	Very high	97.1	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.4	-44.1	-179.3	173.1	0	0	0	0	111.7	I40 R41 A46 V47 I48 L77 A80 L81 A180	I40-V44 HydrophobicContact CG2-CG2 4.49Å; I40-V44 WeakPolarHBondContact O-CG2 3.49Å; I40-V44 PolarHBondContact O-N 3.44Å; R41-V44 PolarHBondContact O-N 2.96Å; V44-A46 VanDerWaalsContact C-N 3.33Å; V44-A46 PolarHBondContact O-N 3.48Å; V44-V47 WeakPolarHBondContact O-CB 3.49Å; V44-V47 PolarHBondContact O-N 3.45Å; V44-I48 PolarHBondContact O-N 3.45Å; V44-I48 VanDerWaalsContact O-N 3.13Å; V44-L77 HydrophobicContact CG2-CD1 3.96Å; V44-A80 HydrophobicContact CB-CB 4.19Å; V44-A80 HydrophobicContact CG1-CB 4.3Å; V44-A80 HydrophobicContact CG2-CB 3.91Å; V44-L81 HydrophobicContact CG1-CD2 4.13Å; V44-L81 HydrophobicContact CG2-CD2 4.01Å; V44-A180 HydrophobicContact CG1-CB 3.75Å
45	H	96.5	Very high	97.1	Very high	95 Å²	95	56.5 Å²	56.5	44%	0.44	30%	0.298	S	S	.	.	H	α-helix	trans	-63.1	-39.2	174.7	-68.6	168.9	0	0	0	112.2	R41 F43 V47 I48 D49	R41-H45 WeakPolarHBondContact O-CB 3.4Å; R41-H45 PolarHBondContact O-N 2.91Å; F43-H45 PolarHBondContact O-N 2.96Å; H45-V47 VanDerWaalsContact C-N 3.26Å; H45-V47 PolarHBondContact O-N 3.43Å; H45-I48 PolarHBondContact O-N 3.33Å; H45-D49 VanDerWaalsContact O-CG 3.27Å; H45-D49 PolarHBondContact O-N 3.06Å
46	A	97.6	Very high	97.1	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-64.4	-32.5	176.8	0	0	0	0	0	112.6	L22 N42 F43 V44 G50 R51 A52	L22-A46 HydrophobicContact CD1-CB 4.03Å; L22-A46 HydrophobicContact CD2-CB 4.04Å; L22-A46 HydrophobicContact CG-CB 4.38Å; N42-A46 WeakPolarHBondContact O-CB 3.41Å; N42-A46 PolarHBondContact O-N 3.24Å; F43-A46 WeakPolarHBondContact O-CB 3.49Å; F43-A46 PolarHBondContact O-N 3.03Å; F43-A46 VanDerWaalsContact O-N 3.14Å; V44-A46 VanDerWaalsContact C-N 3.33Å; V44-A46 PolarHBondContact O-N 3.48Å; A46-G50 PolarHBondContact O-N 3.25Å; A46-R51 HydrophobicContact CB-CB 4.14Å; A46-R51 PolarHBondContact O-N 3.17Å; A46-A52 HydrophobicContact CB-CB 4.12Å; A46-A52 PolarHBondContact O-N 3.11Å
47	V	97.5	Very high	97.2	Very high	6 Å²	6	53.3 Å²	53.3	4%	0.036	29%	0.288	C	S	.	.	H	α-helix	trans	-64.8	-44.2	172.3	171.9	0	0	0	0	111	F43 V44 H45 A52 I57 I183 L184	F43-V47 HydrophobicContact CD2-CG2 4.36Å; F43-V47 HydrophobicContact CE1-CG2 4.16Å; F43-V47 HydrophobicContact CE2-CG2 3.91Å; F43-V47 HydrophobicContact CZ-CG2 3.8Å; F43-V47 WeakPolarHBondContact O-CG2 3.28Å; F43-V47 PolarHBondContact O-N 3.02Å; V44-V47 WeakPolarHBondContact O-CB 3.49Å; V44-V47 PolarHBondContact O-N 3.45Å; H45-V47 VanDerWaalsContact C-N 3.26Å; H45-V47 PolarHBondContact O-N 3.43Å; V47-A52 HydrophobicContact CG2-CB 4.13Å; V47-I57 HydrophobicContact CG1-CD1 4.31Å; V47-I57 HydrophobicContact CG2-CD1 4.18Å; V47-I57 HydrophobicContact CG2-CG1 4.11Å; V47-I183 HydrophobicContact CG1-CB 3.82Å; V47-I183 HydrophobicContact CG1-CD1 3.83Å; V47-I183 HydrophobicContact CG1-CG1 4.44Å; V47-I183 HydrophobicContact CG1-CG2 3.67Å; V47-I183 WeakPolarHBondContact O-CD1 3.43Å; V47-L184 HydrophobicContact CG1-CD2 4.46Å; V47-L184 HydrophobicContact CG2-CD2 4.32Å
48	I	95.6	Very high	97.2	Very high	57 Å²	57	50.3 Å²	50.3	29%	0.292	28%	0.278	S	S	.	.	H	α-helix	trans	-68.1	-48.1	179.7	-67.2	-61	0	0	0	112.6	V44 H45 G50 P179 A180 I183	V44-I48 PolarHBondContact O-N 3.45Å; V44-I48 VanDerWaalsContact O-N 3.13Å; H45-I48 PolarHBondContact O-N 3.33Å; I48-G50 PolarHBondContact O-N 2.93Å; I48-P179 HydrophobicContact CD1-CB 3.67Å; I48-P179 HydrophobicContact CD1-CG 3.64Å; I48-A180 VanDerWaalsContact CD1-CA 3.46Å; I48-A180 HydrophobicContact CD1-CB 3.58Å; I48-A180 HydrophobicContact CG1-CB 3.94Å; I48-I183 HydrophobicContact CD1-CD1 4.47Å
49	D	94.3	Very high	97.3	Very high	104 Å²	104	49.3 Å²	49.3	56%	0.556	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	6.1	-173.3	-53.4	-30.5	0	0	0	112.9	H45 R51	H45-D49 VanDerWaalsContact O-CG 3.27Å; H45-D49 PolarHBondContact O-N 3.06Å; D49-R51 PolarHBondContact O-N 2.78Å; D49-R51 IonicContact OD2-CZ 3.75Å; D49-R51 IonicContact OD2-NE 3.64Å; D49-R51 IonicContact OD2-NH2 2.94Å; D49-R51 PolarHBondContact OD2-NH2 2.85Å
50	G	94.6	Very high	97.3	Very high	62 Å²	62	49.2 Å²	49.2	64%	0.639	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	9.6	-179.1	0	0	0	0	0	115.1	A46 I48 A52	A46-G50 PolarHBondContact O-N 3.25Å; I48-G50 PolarHBondContact O-N 2.93Å; G50-A52 VanDerWaalsContact C-N 3.35Å
51	R	96.6	Very high	97.3	Very high	127 Å²	127	49.1 Å²	49.1	48%	0.479	27%	0.268	S	S	.	.			trans	-73	-27.6	176.1	-72.2	-179.1	-72.8	114.9	-0.3	112.6	A46 D49	A46-R51 HydrophobicContact CB-CB 4.14Å; A46-R51 PolarHBondContact O-N 3.17Å; D49-R51 PolarHBondContact O-N 2.78Å; D49-R51 IonicContact OD2-CZ 3.75Å; D49-R51 IonicContact OD2-NE 3.64Å; D49-R51 IonicContact OD2-NH2 2.94Å; D49-R51 PolarHBondContact OD2-NH2 2.85Å
52	A	97.6	Very high	97.4	Very high	8 Å²	8	49.7 Å²	49.7	7%	0.066	28%	0.275	C	S	.	.	S	Bend	trans	-84.2	118.6	174.1	0	0	0	0	0	110.2	L22 A46 V47 G50 I57	L22-A52 HydrophobicContact CD1-CB 3.67Å; A46-A52 HydrophobicContact CB-CB 4.12Å; A46-A52 PolarHBondContact O-N 3.11Å; V47-A52 HydrophobicContact CG2-CB 4.13Å; G50-A52 VanDerWaalsContact C-N 3.35Å; A52-I57 HydrophobicContact CB-CD1 4.31Å; A52-I57 HydrophobicContact CB-CG1 3.98Å
53	Q	97.6	Very high	97.5	Very high	128 Å²	128	48.6 Å²	48.6	60%	0.598	27%	0.27	S	S	*	.			trans	-71.5	151.5	172.9	-60.6	177.3	-2.4	0	0	110.5	T55 Q56 I57	Q53-T55 PolarHBondContact O-N 3.33Å; Q53-T55 VanDerWaalsContact O-N 3.08Å; Q53-Q56 HydrophobicContact CB-CG 4.27Å; Q53-Q56 WeakPolarHBondContact O-CA 3.23Å; Q53-Q56 WeakPolarHBondContact O-CB 3.35Å; Q53-Q56 PolarHBondContact O-N 3.31Å; Q53-I57 PolarHBondContact O-N 2.91Å
54	D	96	Very high	97.5	Very high	137 Å²	137	48.3 Å²	48.3	73%	0.733	27%	0.269	S	S	*	.	H	α-helix	trans	-52	-36.9	177.7	-67.4	-6.9	0	0	0	112.9	Q56 I57 G58	D54-Q56 VanDerWaalsContact C-N 3.34Å; D54-Q56 PolarHBondContact O-N 2.77Å; D54-I57 PolarHBondContact O-N 3.28Å; D54-G58 PolarHBondContact O-N 3.42Å
55	T	97.8	Very high	97.5	Very high	104 Å²	104	51.5 Å²	51.5	64%	0.638	28%	0.281	S	S	*	.	H	α-helix	trans	-63.8	-37.6	175.9	52.5	0	0	0	0	112.5	Q53 A59	Q53-T55 PolarHBondContact O-N 3.33Å; Q53-T55 VanDerWaalsContact O-N 3.08Å; T55-A59 VanDerWaalsContact O-CB 3.28Å; T55-A59 WeakPolarHBondContact O-CB 3.41Å; T55-A59 PolarHBondContact O-N 2.87Å
56	Q	98.5	Very high	97.6	Very high	38 Å²	38	53.1 Å²	53.1	18%	0.178	29%	0.292	C	S	.	.	H	α-helix	trans	-72.5	-38.6	176.4	-64.1	175.7	-48.5	0	0	111.2	I26 Q53 D54 A59 M60	I26-Q56 HydrophobicContact CD1-CB 3.97Å; I26-Q56 HydrophobicContact CD1-CG 4.38Å; I26-Q56 WeakPolarHBondContact CD1-O 2.78Å; Q53-Q56 HydrophobicContact CB-CG 4.27Å; Q53-Q56 WeakPolarHBondContact O-CA 3.23Å; Q53-Q56 WeakPolarHBondContact O-CB 3.35Å; Q53-Q56 PolarHBondContact O-N 3.31Å; D54-Q56 VanDerWaalsContact C-N 3.34Å; D54-Q56 PolarHBondContact O-N 2.77Å; Q56-A59 PolarHBondContact O-N 3.12Å; Q56-M60 WeakPolarHBondContact O-CB 3.42Å; Q56-M60 PolarHBondContact O-N 2.93Å
57	I	98.5	Very high	97.6	Very high	4 Å²	4	58.1 Å²	58.1	2%	0.021	32%	0.315	C	S	.	.	H	α-helix	trans	-61.4	-52.5	174.3	-63.2	175.7	0	0	0	109.7	V47 A52 Q53 D54 A59 M60 L61 I183 L184 A187	V47-I57 HydrophobicContact CG1-CD1 4.31Å; V47-I57 HydrophobicContact CG2-CD1 4.18Å; V47-I57 HydrophobicContact CG2-CG1 4.11Å; A52-I57 HydrophobicContact CB-CD1 4.31Å; A52-I57 HydrophobicContact CB-CG1 3.98Å; Q53-I57 PolarHBondContact O-N 2.91Å; D54-I57 PolarHBondContact O-N 3.28Å; I57-A59 VanDerWaalsContact C-N 3.32Å; I57-A59 PolarHBondContact O-N 2.87Å; I57-M60 PolarHBondContact O-N 3.36Å; I57-L61 HydrophobicContact CG2-CD1 3.84Å; I57-L61 HydrophobicContact CG2-CG 4.3Å; I57-L61 WeakPolarHBondContact O-CB 3.3Å; I57-L61 VanDerWaalsContact O-CG 3.27Å; I57-L61 WeakPolarHBondContact O-CG 3.49Å; I57-L61 PolarHBondContact O-N 3.04Å; I57-I183 HydrophobicContact CD1-CG2 3.97Å; I57-L184 HydrophobicContact CG2-CD2 3.67Å; I57-A187 HydrophobicContact CG2-CB 3.95Å
58	G	98	Very high	97.7	Very high	16 Å²	16	59 Å²	59	17%	0.165	33%	0.325	C	S	.	.	H	α-helix	trans	-57.6	-42.5	177.2	0	0	0	0	0	112.8	D54 L61 M62	D54-G58 PolarHBondContact O-N 3.42Å; G58-L61 PolarHBondContact O-N 3.36Å; G58-M62 WeakPolarHBondContact O-CB 3.16Å; G58-M62 PolarHBondContact O-N 3.42Å
59	A	98.7	Very high	97.8	Very high	42 Å²	42	57.2 Å²	57.2	35%	0.347	32%	0.316	S	S	.	.	H	α-helix	trans	-64.6	-43.1	177.6	0	0	0	0	0	112.8	I26 T55 Q56 I57 M62 A63	I26-A59 HydrophobicContact CD1-CB 4.2Å; I26-A59 HydrophobicContact CG2-CB 4.03Å; T55-A59 VanDerWaalsContact O-CB 3.28Å; T55-A59 WeakPolarHBondContact O-CB 3.41Å; T55-A59 PolarHBondContact O-N 2.87Å; Q56-A59 PolarHBondContact O-N 3.12Å; I57-A59 VanDerWaalsContact C-N 3.32Å; I57-A59 PolarHBondContact O-N 2.87Å; A59-M62 PolarHBondContact O-N 2.91Å; A59-A63 WeakPolarHBondContact O-CB 3.38Å; A59-A63 PolarHBondContact O-N 3.32Å
60	M	98.8	Very high	97.9	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-64.6	-45	175.3	-179.4	57.7	82.1	0	0	111.4	L25 I26 K29 L35 F43 Q56 I57 M62 A63 I64	L25-M60 HydrophobicContact CB-CE 3.77Å; I26-M60 HydrophobicContact CG1-CB 4.06Å; I26-M60 HydrophobicContact CG1-CE 3.87Å; K29-M60 HydrophobicContact CB-SD 4.05Å; K29-M60 HydrophobicContact CG-SD 4.3Å; L35-M60 HydrophobicContact CD1-CE 4.36Å; L35-M60 HydrophobicContact CD1-SD 4.31Å; F43-M60 HydrophobicContact CD1-CG 4.39Å; F43-M60 HydrophobicContact CD2-CE 4.45Å; F43-M60 HydrophobicContact CD2-CG 4.26Å; F43-M60 HydrophobicContact CE1-CG 3.94Å; F43-M60 HydrophobicContact CE2-CB 3.79Å; F43-M60 HydrophobicContact CE2-CG 3.8Å; F43-M60 HydrophobicContact CZ-CB 3.83Å; F43-M60 HydrophobicContact CZ-CG 3.63Å; Q56-M60 WeakPolarHBondContact O-CB 3.42Å; Q56-M60 PolarHBondContact O-N 2.93Å; I57-M60 PolarHBondContact O-N 3.36Å; M60-M62 VanDerWaalsContact C-N 3.31Å; M60-M62 PolarHBondContact O-N 3.34Å; M60-A63 PolarHBondContact O-N 3.47Å; M60-I64 HydrophobicContact CG-CD1 3.9Å; M60-I64 HydrophobicContact CG-CG1 4.46Å; M60-I64 WeakPolarHBondContact O-CG1 3.3Å; M60-I64 PolarHBondContact O-N 3.2Å; M60-I64 HydrophobicContact SD-CD1 4.07Å; M60-I64 HydrophobicContact SD-CG1 4.15Å
61	L	98.8	Very high	97.9	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-59.3	-43.1	177.7	-72.1	174.2	0	0	0	111.5	I57 G58 I64 R65 L184 A187 R188 T193 L199	I57-L61 HydrophobicContact CG2-CD1 3.84Å; I57-L61 HydrophobicContact CG2-CG 4.3Å; I57-L61 WeakPolarHBondContact O-CB 3.3Å; I57-L61 VanDerWaalsContact O-CG 3.27Å; I57-L61 WeakPolarHBondContact O-CG 3.49Å; I57-L61 PolarHBondContact O-N 3.04Å; G58-L61 PolarHBondContact O-N 3.36Å; L61-I64 PolarHBondContact O-N 2.9Å; L61-R65 VanDerWaalsContact O-CB 3.29Å; L61-R65 WeakPolarHBondContact O-CB 3.43Å; L61-R65 PolarHBondContact O-N 3.25Å; L61-L184 HydrophobicContact CD2-CD2 4.22Å; L61-A187 HydrophobicContact CD1-CB 3.64Å; L61-R188 HydrophobicContact CD1-CG 4.01Å; L61-R188 HydrophobicContact CD2-CG 3.93Å; L61-T193 HydrophobicContact CB-CG2 4.1Å; L61-L199 HydrophobicContact CD2-CD1 3.74Å; L61-L199 HydrophobicContact CD2-CD2 3.95Å
62	M	98.8	Very high	97.9	Very high	73 Å²	73	56 Å²	56	36%	0.36	30%	0.3	S	S	.	.	H	α-helix	trans	-66.8	-40.2	176.6	-175.2	56	67.6	0	0	111.8	G58 A59 M60 R65 L66 T193	G58-M62 WeakPolarHBondContact O-CB 3.16Å; G58-M62 PolarHBondContact O-N 3.42Å; A59-M62 PolarHBondContact O-N 2.91Å; M60-M62 VanDerWaalsContact C-N 3.31Å; M60-M62 PolarHBondContact O-N 3.34Å; M62-R65 PolarHBondContact O-N 3.24Å; M62-R65 VanDerWaalsContact O-N 3.16Å; M62-L66 HydrophobicContact CG-CD1 4.09Å; M62-L66 WeakPolarHBondContact O-CG 3.45Å; M62-L66 PolarHBondContact O-N 2.83Å; M62-L66 HydrophobicContact SD-CD1 4.03Å; M62-L66 HydrophobicContact SD-CG 4.04Å; M62-T193 HydrophobicContact CB-CG2 4.36Å; M62-T193 HydrophobicContact CE-CG2 3.82Å; M62-T193 HydrophobicContact SD-CG2 4.36Å
63	A	98.8	Very high	97.9	Very high	8 Å²	8	55.9 Å²	55.9	7%	0.066	30%	0.298	C	S	.	.	H	α-helix	trans	-61	-48.4	175	0	0	0	0	0	111.7	K29 R30 A59 M60 R65 L66 Q67	K29-A63 HydrophobicContact CB-CB 4.23Å; K29-A63 HydrophobicContact CG-CB 4.28Å; R30-A63 HydrophobicContact CB-CB 4.37Å; A59-A63 WeakPolarHBondContact O-CB 3.38Å; A59-A63 PolarHBondContact O-N 3.32Å; M60-A63 PolarHBondContact O-N 3.47Å; A63-R65 PolarHBondContact O-N 2.91Å; A63-L66 PolarHBondContact O-N 3.48Å; A63-Q67 WeakPolarHBondContact O-CB 3.34Å; A63-Q67 PolarHBondContact O-N 3.15Å
64	I	98.8	Very high	97.9	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.021	27%	0.27	C	S	.	.	H	α-helix	trans	-60.6	-37.3	173.9	-67.4	167.4	0	0	0	110.4	K29 M60 L61 G68 M69 P198 L199	K29-I64 HydrophobicContact CG-CG1 4.05Å; M60-I64 HydrophobicContact CG-CD1 3.9Å; M60-I64 HydrophobicContact CG-CG1 4.46Å; M60-I64 WeakPolarHBondContact O-CG1 3.3Å; M60-I64 PolarHBondContact O-N 3.2Å; M60-I64 HydrophobicContact SD-CD1 4.07Å; M60-I64 HydrophobicContact SD-CG1 4.15Å; L61-I64 PolarHBondContact O-N 2.9Å; I64-G68 WeakPolarHBondContact O-CA 3.27Å; I64-G68 PolarHBondContact O-N 3.35Å; I64-M69 HydrophobicContact CD1-SD 3.93Å; I64-M69 HydrophobicContact CG1-CG 4.44Å; I64-M69 HydrophobicContact CG1-SD 4.03Å; I64-M69 HydrophobicContact CG2-CG 4.05Å; I64-M69 HydrophobicContact CG2-SD 3.77Å; I64-P198 HydrophobicContact CG2-CG 3.98Å; I64-L199 HydrophobicContact CB-CD2 4.49Å; I64-L199 HydrophobicContact CD1-CD2 4.11Å; I64-L199 HydrophobicContact CG2-CD1 4.2Å; I64-L199 HydrophobicContact CG2-CD2 3.84Å; I64-L199 HydrophobicContact CG2-CG 3.79Å
65	R	98.4	Very high	98	Very high	67 Å²	67	43.6 Å²	43.6	25%	0.253	24%	0.237	S	C	.	.	H	α-helix	trans	-66.1	-40.8	-179.2	176.6	53.3	-159.8	-94.1	10.1	112.8	L61 M62 A63 T193 D195	L61-R65 VanDerWaalsContact O-CB 3.29Å; L61-R65 WeakPolarHBondContact O-CB 3.43Å; L61-R65 PolarHBondContact O-N 3.25Å; M62-R65 PolarHBondContact O-N 3.24Å; M62-R65 VanDerWaalsContact O-N 3.16Å; A63-R65 PolarHBondContact O-N 2.91Å; R65-T193 HydrophobicContact CB-CG2 3.98Å; R65-T193 HydrophobicContact CG-CG2 4.43Å; R65-D195 IonicContact CZ-OD1 2.78Å; R65-D195 IonicContact CZ-OD2 3.14Å; R65-D195 VanDerWaalsContact CZ-OD2 3.26Å; R65-D195 PolarHBondContact NE-O 2.66Å; R65-D195 PolarHBondContact NH1-O 2.73Å; R65-D195 IonicContact NH1-OD1 3.23Å; R65-D195 PolarHBondContact NH1-OD1 2.77Å; R65-D195 IonicContact NH1-OD2 3.38Å; R65-D195 PolarHBondContact NH1-OD2 2.97Å; R65-D195 VanDerWaalsContact NH1-OD2 3.07Å; R65-D195 PolarHBondContact NH2-O 2.65Å; R65-D195 IonicContact NH2-OD1 3.73Å; R65-D195 IonicContact NH2-OD2 3.53Å; R65-D195 PolarHBondContact NH2-OD2 2.93Å
66	L	98.5	Very high	97.9	Very high	128 Å²	128	38.8 Å²	38.8	67%	0.67	21%	0.208	S	C	*	.	H	α-helix	trans	-81.6	-35	-177.7	-67.5	173.2	0	0	0	112.8	M62 A63	M62-L66 HydrophobicContact CG-CD1 4.09Å; M62-L66 WeakPolarHBondContact O-CG 3.45Å; M62-L66 PolarHBondContact O-N 2.83Å; M62-L66 HydrophobicContact SD-CD1 4.03Å; M62-L66 HydrophobicContact SD-CG 4.04Å; A63-L66 PolarHBondContact O-N 3.48Å
67	Q	98.4	Very high	97.9	Very high	105 Å²	105	37.1 Å²	37.1	49%	0.491	20%	0.2	S	C	.	.	H	α-helix	trans	-102.5	-12.3	-174.8	-60.6	-61	-27.4	0	0	114	K29 A63	K29-Q67 WeakPolarHBondContact O-CG 3.47Å; A63-Q67 WeakPolarHBondContact O-CB 3.34Å; A63-Q67 PolarHBondContact O-N 3.15Å
68	G	97.8	Very high	97.9	Very high	24 Å²	24	37 Å²	37	25%	0.247	20%	0.199	C	C	.	.			trans	67.7	-173	-175.5	0	0	0	0	0	113.2	K29 I64	K29-G68 WeakPolarHBondContact CE-O 3.49Å; K29-G68 PolarHBondContact NZ-O 3.47Å; I64-G68 WeakPolarHBondContact O-CA 3.27Å; I64-G68 PolarHBondContact O-N 3.35Å
69	M	98.3	Very high	97.8	Very high	20 Å²	20	39.4 Å²	39.4	10%	0.099	20%	0.204	C	C	.	.			trans	-140	146.4	171.5	-76	169.8	92.8	0	0	107.4	I40 I64 E73 L77 P198	I40-M69 HydrophobicContact CD1-CE 3.92Å; I40-M69 HydrophobicContact CG1-CE 4.41Å; I64-M69 HydrophobicContact CD1-SD 3.93Å; I64-M69 HydrophobicContact CG1-CG 4.44Å; I64-M69 HydrophobicContact CG1-SD 4.03Å; I64-M69 HydrophobicContact CG2-CG 4.05Å; I64-M69 HydrophobicContact CG2-SD 3.77Å; M69-E73 WeakPolarHBondContact CA-OE2 3.29Å; M69-E73 HydrophobicContact CB-CB 3.71Å; M69-E73 HydrophobicContact CE-CB 3.62Å; M69-E73 HydrophobicContact CE-CG 4.39Å; M69-E73 HydrophobicContact CG-CB 4.05Å; M69-L77 HydrophobicContact CE-CB 3.98Å; M69-L77 HydrophobicContact CE-CD2 4.05Å; M69-L77 HydrophobicContact SD-CD2 3.89Å; M69-P198 HydrophobicContact CB-CB 3.71Å; M69-P198 HydrophobicContact CB-CG 4Å; M69-P198 HydrophobicContact CG-CB 4.32Å; M69-P198 HydrophobicContact CG-CG 4.42Å; M69-P198 HydrophobicContact SD-CB 4.23Å
70	N	96.5	Very high	97.7	Very high	69 Å²	69	37.7 Å²	37.7	37%	0.369	19%	0.189	S	C	.	.			trans	-75.8	178.7	173.5	72.8	22.8	0	0	0	111.3	H34 E72 E73 T74	H34-N70 PolarHBondContact CE1-ND2 3.49Å; H34-N70 PolarHBondContact ND1-ND2 2.85Å; N70-E72 VanDerWaalsContact C-N 3.35Å; N70-E72 PolarHBondContact O-N 3.41Å; N70-E72 PolarHBondContact OD1-N 3.42Å; N70-E72 VanDerWaalsContact OD1-N 3.12Å; N70-E73 PolarHBondContact N-OE2 2.86Å; N70-E73 PolarHBondContact O-N 3.47Å; N70-E73 WeakPolarHBondContact OD1-CB 3.43Å; N70-E73 WeakPolarHBondContact OD1-CG 3.41Å; N70-E73 PolarHBondContact OD1-N 2.88Å; N70-T74 WeakPolarHBondContact O-CB 3.4Å; N70-T74 PolarHBondContact O-N 3.47Å; N70-T74 PolarHBondContact O-OG1 2.93Å
71	L	95.1	Very high	97.6	Very high	80 Å²	80	37.8 Å²	37.8	42%	0.419	19%	0.19	S	C	.	.	H	α-helix	trans	-59.7	-44.1	-178.3	179	63.1	0	0	0	112.2	T74 S75 M240 R243 V244	L71-T74 PolarHBondContact O-N 3.25Å; L71-S75 WeakPolarHBondContact O-CB 3.42Å; L71-S75 PolarHBondContact O-N 3.37Å; L71-S75 PolarHBondContact O-OG 3.2Å; L71-M240 HydrophobicContact CD1-SD 3.76Å; L71-R243 HydrophobicContact CD1-CB 4.3Å; L71-V244 HydrophobicContact CD1-CG2 3.59Å
72	E	95.9	Very high	97.4	Very high	119 Å²	119	38 Å²	38	56%	0.556	19%	0.192	S	C	*	.	H	α-helix	trans	-63.9	-49.5	-179.4	-177.4	179.1	-175.1	0	0	111.4	N70 T74 S75 V76	N70-E72 VanDerWaalsContact C-N 3.35Å; N70-E72 PolarHBondContact O-N 3.41Å; N70-E72 PolarHBondContact OD1-N 3.42Å; N70-E72 VanDerWaalsContact OD1-N 3.12Å; E72-T74 VanDerWaalsContact C-N 3.29Å; E72-T74 PolarHBondContact O-N 3.01Å; E72-S75 PolarHBondContact O-N 3.32Å; E72-V76 VanDerWaalsContact O-CG2 3.3Å; E72-V76 WeakPolarHBondContact O-CG2 3.36Å; E72-V76 PolarHBondContact O-N 3.36Å
73	E	97.9	Very high	97.2	Very high	5 Å²	5	39.1 Å²	39.1	2%	0.023	20%	0.196	C	C	.	.	H	α-helix	trans	-55.7	-45.7	175.1	-76.8	-179.5	111.4	0	0	111.3	K29 H34 L35 I40 M69 N70 V76 L77	K29-E73 VanDerWaalsContact NZ-CD 3.32Å; K29-E73 IonicContact NZ-OE1 2.6Å; K29-E73 PolarHBondContact NZ-OE1 2.95Å; K29-E73 IonicContact NZ-OE2 3.75Å; K29-E73 PolarHBondContact NZ-OE2 3.34Å; K29-E73 VanDerWaalsContact NZ-OE2 3.12Å; H34-E73 WeakPolarHBondContact CE1-CG 3.33Å; H34-E73 VanDerWaalsContact ND1-CD 3.35Å; H34-E73 VanDerWaalsContact ND1-CG 3.3Å; H34-E73 WeakPolarHBondContact ND1-CG 3.27Å; H34-E73 IonicContact ND1-OE1 3.82Å; H34-E73 IonicContact ND1-OE2 3.09Å; L35-E73 PolarHBondContact N-OE1 3.33Å; I40-E73 HydrophobicContact CD1-CB 4.2Å; I40-E73 HydrophobicContact CD1-CG 4.3Å; M69-E73 WeakPolarHBondContact CA-OE2 3.29Å; M69-E73 HydrophobicContact CB-CB 3.71Å; M69-E73 HydrophobicContact CE-CB 3.62Å; M69-E73 HydrophobicContact CE-CG 4.39Å; M69-E73 HydrophobicContact CG-CB 4.05Å; N70-E73 PolarHBondContact N-OE2 2.86Å; N70-E73 PolarHBondContact O-N 3.47Å; N70-E73 WeakPolarHBondContact OD1-CB 3.43Å; N70-E73 WeakPolarHBondContact OD1-CG 3.41Å; N70-E73 PolarHBondContact OD1-N 2.88Å; E73-V76 PolarHBondContact O-N 3.16Å; E73-L77 WeakPolarHBondContact O-CB 3.37Å; E73-L77 PolarHBondContact O-N 2.96Å
74	T	98	Very high	97	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-65.2	-45.1	-179.5	-53.8	0	0	0	0	111	N70 L71 E72 V76 L77 T78 P198 T201 V244	N70-T74 WeakPolarHBondContact O-CB 3.4Å; N70-T74 PolarHBondContact O-N 3.47Å; N70-T74 PolarHBondContact O-OG1 2.93Å; L71-T74 PolarHBondContact O-N 3.25Å; E72-T74 VanDerWaalsContact C-N 3.29Å; E72-T74 PolarHBondContact O-N 3.01Å; T74-V76 PolarHBondContact O-N 2.82Å; T74-L77 PolarHBondContact O-N 3.36Å; T74-T78 WeakPolarHBondContact O-CB 3.45Å; T74-T78 PolarHBondContact O-N 3.37Å; T74-T78 PolarHBondContact O-OG1 3.43Å; T74-P198 HydrophobicContact CG2-CB 4.04Å; T74-P198 WeakPolarHBondContact OG1-CB 3.31Å; T74-T201 HydrophobicContact CG2-CG2 3.77Å; T74-V244 HydrophobicContact CG2-CG2 4.06Å
75	S	96.8	Very high	96.7	Very high	8 Å²	8	40.7 Å²	40.7	6%	0.056	21%	0.211	C	C	.	.	H	α-helix	trans	-61.5	-42.9	175.8	-74.2	0	0	0	0	112	L71 E72 T78 R79 S247	L71-S75 WeakPolarHBondContact O-CB 3.42Å; L71-S75 PolarHBondContact O-N 3.37Å; L71-S75 PolarHBondContact O-OG 3.2Å; E72-S75 PolarHBondContact O-N 3.32Å; S75-T78 PolarHBondContact O-N 2.85Å; S75-R79 PolarHBondContact O-N 3.38Å; S75-S247 PolarHBondContact OG-OG 2.97Å; S75-S247 VanDerWaalsContact OG-OG 3.11Å
76	V	97.5	Very high	96.3	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.012	22%	0.218	C	C	.	.	H	α-helix	trans	-66.6	-45.5	177.4	174.7	0	0	0	0	111.5	E37 I40 E72 E73 T74 T78 R79 A80	E37-V76 HydrophobicContact CB-CG1 3.95Å; E37-V76 HydrophobicContact CB-CG2 4.11Å; E37-V76 HydrophobicContact CG-CG1 3.72Å; E37-V76 HydrophobicContact CG-CG2 4.34Å; I40-V76 HydrophobicContact CB-CG1 3.95Å; I40-V76 HydrophobicContact CD1-CB 3.91Å; I40-V76 HydrophobicContact CD1-CG1 3.89Å; I40-V76 HydrophobicContact CG1-CG1 4.5Å; I40-V76 HydrophobicContact CG2-CG1 3.97Å; E72-V76 VanDerWaalsContact O-CG2 3.3Å; E72-V76 WeakPolarHBondContact O-CG2 3.36Å; E72-V76 PolarHBondContact O-N 3.36Å; E73-V76 PolarHBondContact O-N 3.16Å; T74-V76 PolarHBondContact O-N 2.82Å; V76-T78 PolarHBondContact O-N 2.94Å; V76-R79 VanDerWaalsContact CG2-NH2 3.33Å; V76-R79 PolarHBondContact O-N 2.88Å; V76-A80 WeakPolarHBondContact O-CB 3.17Å; V76-A80 PolarHBondContact O-N 3.27Å
77	L	98.4	Very high	96	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.021	21%	0.206	C	C	.	.	H	α-helix	trans	-57.5	-44.8	176.1	179.3	63.5	0	0	0	110.1	I40 V44 M69 E73 T74 R79 A80 L81 L199 A202	I40-L77 HydrophobicContact CG2-CB 4.03Å; I40-L77 HydrophobicContact CG2-CD1 3.95Å; V44-L77 HydrophobicContact CG2-CD1 3.96Å; M69-L77 HydrophobicContact CE-CB 3.98Å; M69-L77 HydrophobicContact CE-CD2 4.05Å; M69-L77 HydrophobicContact SD-CD2 3.89Å; E73-L77 WeakPolarHBondContact O-CB 3.37Å; E73-L77 PolarHBondContact O-N 2.96Å; T74-L77 PolarHBondContact O-N 3.36Å; L77-R79 PolarHBondContact O-N 3.5Å; L77-A80 PolarHBondContact O-N 2.89Å; L77-L81 HydrophobicContact CD1-CD1 4.36Å; L77-L81 HydrophobicContact CD1-CD2 4.44Å; L77-L81 HydrophobicContact CD1-CG 4.17Å; L77-L81 HydrophobicContact CG-CD1 4.23Å; L77-L81 HydrophobicContact CG-CG 4.4Å; L77-L81 VanDerWaalsContact O-CG 3.26Å; L77-L81 WeakPolarHBondContact O-CG 3.41Å; L77-L81 PolarHBondContact O-N 3.12Å; L77-L199 HydrophobicContact CD2-CD2 4.12Å; L77-A202 HydrophobicContact CB-CB 4.28Å; L77-A202 HydrophobicContact CD2-CB 3.75Å; L77-A202 HydrophobicContact CG-CB 3.78Å
78	T	97.5	Very high	95.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58.6	-48.7	178.1	-51.3	0	0	0	0	111.9	T74 S75 V76 L81 A82 A202 L205 V244 L248	T74-T78 WeakPolarHBondContact O-CB 3.45Å; T74-T78 PolarHBondContact O-N 3.37Å; T74-T78 PolarHBondContact O-OG1 3.43Å; S75-T78 PolarHBondContact O-N 2.85Å; V76-T78 PolarHBondContact O-N 2.94Å; T78-L81 PolarHBondContact O-N 2.74Å; T78-A82 WeakPolarHBondContact O-CB 3.45Å; T78-A82 PolarHBondContact O-N 3.44Å; T78-A202 VanDerWaalsContact OG1-CA 3.27Å; T78-A202 WeakPolarHBondContact OG1-CA 3.46Å; T78-L205 HydrophobicContact CG2-CB 3.5Å; T78-L205 VanDerWaalsContact CG2-CB 3.5Å; T78-V244 HydrophobicContact CG2-CG1 4.39Å; T78-L248 HydrophobicContact CG2-CD1 3.58Å
79	R	96.3	Very high	95.6	Very high	68 Å²	68	42.4 Å²	42.4	26%	0.257	21%	0.212	S	C	.	.	H	α-helix	trans	-61.3	-47.9	176.4	-75.4	-168.8	-63.9	-89.9	2.5	111.9	S75 V76 L77 L81 A82 E83 L248	S75-R79 PolarHBondContact O-N 3.38Å; V76-R79 VanDerWaalsContact CG2-NH2 3.33Å; V76-R79 PolarHBondContact O-N 2.88Å; L77-R79 PolarHBondContact O-N 3.5Å; R79-L81 VanDerWaalsContact C-N 3.29Å; R79-L81 PolarHBondContact O-N 3.48Å; R79-A82 PolarHBondContact O-N 3.27Å; R79-A82 VanDerWaalsContact O-N 3.13Å; R79-E83 WeakPolarHBondContact O-CB 3.43Å; R79-E83 VanDerWaalsContact O-CG 3.27Å; R79-E83 WeakPolarHBondContact O-CG 3.43Å; R79-E83 PolarHBondContact O-N 3.02Å; R79-L248 HydrophobicContact CG-CD2 3.31Å
80	A	97.1	Very high	95.5	Very high	5 Å²	5	42.4 Å²	42.4	4%	0.041	21%	0.211	C	C	.	.	H	α-helix	trans	-60.9	-38.7	-179.6	0	0	0	0	0	112	I40 R41 V44 V76 L77 S84	I40-A80 HydrophobicContact CG2-CB 4.45Å; R41-A80 HydrophobicContact CG-CB 4.25Å; V44-A80 HydrophobicContact CB-CB 4.19Å; V44-A80 HydrophobicContact CG1-CB 4.3Å; V44-A80 HydrophobicContact CG2-CB 3.91Å; V76-A80 WeakPolarHBondContact O-CB 3.17Å; V76-A80 PolarHBondContact O-N 3.27Å; L77-A80 PolarHBondContact O-N 2.89Å; A80-S84 PolarHBondContact O-N 2.87Å; A80-S84 VanDerWaalsContact O-N 3.15Å
81	L	97	Very high	95.6	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.021	21%	0.211	C	C	.	.	H	α-helix	trans	-66.8	-44.4	173.6	-66.2	-178.5	0	0	0	111.7	V44 L77 T78 R79 E83 S84 V178 A180 L184 A202	V44-L81 HydrophobicContact CG1-CD2 4.13Å; V44-L81 HydrophobicContact CG2-CD2 4.01Å; L77-L81 HydrophobicContact CD1-CD1 4.36Å; L77-L81 HydrophobicContact CD1-CD2 4.44Å; L77-L81 HydrophobicContact CD1-CG 4.17Å; L77-L81 HydrophobicContact CG-CD1 4.23Å; L77-L81 HydrophobicContact CG-CG 4.4Å; L77-L81 VanDerWaalsContact O-CG 3.26Å; L77-L81 WeakPolarHBondContact O-CG 3.41Å; L77-L81 PolarHBondContact O-N 3.12Å; T78-L81 PolarHBondContact O-N 2.74Å; R79-L81 VanDerWaalsContact C-N 3.29Å; R79-L81 PolarHBondContact O-N 3.48Å; L81-E83 VanDerWaalsContact C-N 3.35Å; L81-E83 PolarHBondContact O-N 3.2Å; L81-S84 WeakPolarHBondContact O-CB 3.36Å; L81-S84 PolarHBondContact O-N 3.41Å; L81-S84 PolarHBondContact O-OG 3.43Å; L81-V178 HydrophobicContact CB-CG1 4.45Å; L81-V178 WeakPolarHBondContact O-CG1 3.45Å; L81-A180 HydrophobicContact CD2-CB 3.49Å; L81-A180 VanDerWaalsContact CD2-CB 3.49Å; L81-L184 HydrophobicContact CD1-CD1 4.41Å; L81-L184 HydrophobicContact CD2-CD1 3.77Å; L81-A202 HydrophobicContact CD1-CB 4.01Å
82	A	94.1	Very high	95.7	Very high	5 Å²	5	46.7 Å²	46.7	4%	0.041	23%	0.229	C	C	.	.	H	α-helix	trans	-61.7	-42.7	177.7	0	0	0	0	0	111.9	T78 R79 S84 Q87 A209 V210	T78-A82 WeakPolarHBondContact O-CB 3.45Å; T78-A82 PolarHBondContact O-N 3.44Å; R79-A82 PolarHBondContact O-N 3.27Å; R79-A82 VanDerWaalsContact O-N 3.13Å; A82-S84 PolarHBondContact O-N 3.07Å; A82-Q87 PolarHBondContact O-NE2 3.4Å; A82-A209 HydrophobicContact CB-CB 4.05Å; A82-V210 HydrophobicContact CB-CG1 4.12Å; A82-V210 WeakPolarHBondContact O-CG1 3.38Å
83	E	95	Very high	95.7	Very high	96 Å²	96	45 Å²	45	45%	0.449	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-5.8	-179.9	-67.6	166.5	-167.7	0	0	113.2	R41 R79 L81 G85	R41-E83 IonicContact CZ-OE2 3.77Å; R41-E83 VanDerWaalsContact CZ-OE2 3.24Å; R41-E83 IonicContact NH1-OE2 3.4Å; R41-E83 PolarHBondContact NH1-OE2 3.19Å; R41-E83 IonicContact NH2-OE1 2.91Å; R41-E83 IonicContact NH2-OE2 2.79Å; R41-E83 PolarHBondContact NH2-OE2 3.47Å; R79-E83 WeakPolarHBondContact O-CB 3.43Å; R79-E83 VanDerWaalsContact O-CG 3.27Å; R79-E83 WeakPolarHBondContact O-CG 3.43Å; R79-E83 PolarHBondContact O-N 3.02Å; L81-E83 VanDerWaalsContact C-N 3.35Å; L81-E83 PolarHBondContact O-N 3.2Å; E83-G85 PolarHBondContact O-N 3.07Å
84	S	94.5	Very high	95.7	Very high	21 Å²	21	46 Å²	46	15%	0.147	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-11.9	178	71.2	0	0	0	0	113.9	A80 L81 A82 P179 A180	A80-S84 PolarHBondContact O-N 2.87Å; A80-S84 VanDerWaalsContact O-N 3.15Å; L81-S84 WeakPolarHBondContact O-CB 3.36Å; L81-S84 PolarHBondContact O-N 3.41Å; L81-S84 PolarHBondContact O-OG 3.43Å; A82-S84 PolarHBondContact O-N 3.07Å; S84-P179 WeakPolarHBondContact O-CG 3.4Å; S84-P179 WeakPolarHBondContact OG-CD 3.34Å; S84-A180 WeakPolarHBondContact OG-CB 3.44Å; S84-A180 PolarHBondContact OG-N 3.04Å
85	G	91.2	Very high	95.6	Very high	25 Å²	25	50.1 Å²	50.1	26%	0.258	26%	0.257	S	S	.	.	S	Bend	trans	-139.8	-157.5	176.4	0	0	0	0	0	112	E83 K176	E83-G85 PolarHBondContact O-N 3.07Å; G85-K176 CarbonylContact C-O 3.56Å; G85-K176 WeakPolarHBondContact CA-O 3.46Å
86	Q	90.7	Very high	95.5	Very high	86 Å²	86	55.1 Å²	55.1	40%	0.402	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-79.6	145.2	178.3	-60.6	-176.5	-10	0	0	111.2	K176	Q86-K176 HydrophobicContact CG-CB 4.44Å; Q86-K176 PolarHBondContact N-O 3.4Å
87	Q	91.7	Very high	95.5	Very high	88 Å²	88	58 Å²	58	41%	0.411	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-88.4	139.2	165	-53.7	-57.2	-54.4	0	0	108.6	A82	A82-Q87 PolarHBondContact O-NE2 3.4Å
88	L	93.5	Very high	95.5	Very high	11 Å²	11	57.8 Å²	57.8	6%	0.058	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-79.1	133.9	173.9	-61.1	171.4	0	0	0	109.5	W90 I129 P156 M159 L177 V210	L88-W90 HydrophobicContact CB-CH2 4.17Å; L88-W90 HydrophobicContact CB-CZ2 3.56Å; L88-W90 HydrophobicContact CD1-CH2 3.96Å; L88-W90 HydrophobicContact CD1-CZ2 3.54Å; L88-W90 HydrophobicContact CD2-CH2 4.48Å; L88-W90 HydrophobicContact CG-CH2 4.43Å; L88-W90 HydrophobicContact CG-CZ2 4.06Å; L88-I129 HydrophobicContact CD1-CD1 4.33Å; L88-P156 HydrophobicContact CD2-CB 3.58Å; L88-P156 HydrophobicContact CD2-CG 3.86Å; L88-M159 HydrophobicContact CD1-CE 3.65Å; L88-M159 HydrophobicContact CD1-SD 4Å; L88-M159 HydrophobicContact CD2-SD 4.35Å; L88-L177 HydrophobicContact CD2-CD2 3.83Å; L88-L177 HydrophobicContact CG-CD2 4.07Å; L88-V210 WeakPolarHBondContact CB-O 3.37Å; L88-V210 WeakPolarHBondContact CG-O 3.14Å; L88-V210 PolarHBondContact N-O 3.24Å
89	E	94.6	Very high	95.6	Very high	174 Å²	174	57.8 Å²	57.8	81%	0.813	29%	0.292	S	S	*	.			trans	-113.8	133.8	174.5	-67.6	-170.1	175.6	0	0	110.2
90	W	97.1	Very high	95.7	Very high	20 Å²	20	54.5 Å²	54.5	8%	0.076	28%	0.28	C	S	.	.			trans	-122.2	154.8	-176.6	-49.5	108.4	0	0	0	111.5	L88 K92 W94 H95 L98 P127 M159 L160 L163 E211	L88-W90 HydrophobicContact CB-CH2 4.17Å; L88-W90 HydrophobicContact CB-CZ2 3.56Å; L88-W90 HydrophobicContact CD1-CH2 3.96Å; L88-W90 HydrophobicContact CD1-CZ2 3.54Å; L88-W90 HydrophobicContact CD2-CH2 4.48Å; L88-W90 HydrophobicContact CG-CH2 4.43Å; L88-W90 HydrophobicContact CG-CZ2 4.06Å; W90-K92 PolarHBondContact O-N 3.3Å; W90-W94 HydrophobicContact CB-CE3 4.38Å; W90-W94 HydrophobicContact CE3-CZ3 4.32Å; W90-H95 PolarHBondContact O-NE2 3.37Å; W90-H95 VanDerWaalsContact O-NE2 3.08Å; W90-L98 HydrophobicContact CB-CD1 3.76Å; W90-L98 HydrophobicContact CD2-CD2 4.2Å; W90-L98 HydrophobicContact CG-CD1 3.61Å; W90-L98 HydrophobicContact CG-CD2 3.95Å; W90-L98 HydrophobicContact CG-CG 4.43Å; W90-P127 HydrophobicContact CH2-CB 3.94Å; W90-P127 HydrophobicContact CZ2-CB 3.45Å; W90-P127 VanDerWaalsContact CZ2-CB 3.45Å; W90-P127 HydrophobicContact CZ2-CG 3.91Å; W90-M159 HydrophobicContact CH2-CB 3.98Å; W90-M159 HydrophobicContact CH2-CE 4.36Å; W90-M159 HydrophobicContact CZ3-CB 4.41Å; W90-L160 HydrophobicContact CE3-CD1 3.83Å; W90-L160 HydrophobicContact CZ3-CB 4.13Å; W90-L160 HydrophobicContact CZ3-CD1 4.26Å; W90-L163 HydrophobicContact CD2-CD1 4.36Å; W90-L163 HydrophobicContact CE3-CD1 4.02Å; W90-L163 HydrophobicContact CH2-CD1 3.79Å; W90-L163 HydrophobicContact CZ2-CD1 4.09Å; W90-L163 HydrophobicContact CZ3-CD1 3.76Å; W90-E211 PolarHBondContact NE1-O 3.31Å
91	P	97.7	Very high	95.7	Very high	56 Å²	56	54.3 Å²	54.3	36%	0.364	28%	0.278	S	S	.	.			trans	-50.2	135.2	171.5	-26.5	34.3	0	0	0	111.4	A93 W94 H95 L160	P91-A93 PolarHBondContact O-N 3.18Å; P91-W94 HydrophobicContact CB-CD2 4.36Å; P91-W94 HydrophobicContact CB-CG 4.43Å; P91-W94 HydrophobicContact CG-CD2 4.14Å; P91-W94 HydrophobicContact CG-CE3 4.28Å; P91-W94 HydrophobicContact CG-CH2 4.36Å; P91-W94 HydrophobicContact CG-CZ2 4.26Å; P91-W94 HydrophobicContact CG-CZ3 4.39Å; P91-W94 PolarHBondContact O-N 3.21Å; P91-H95 PolarHBondContact O-CD2 3.04Å; P91-L160 HydrophobicContact CG-CD1 4.09Å
92	K	96.7	Very high	95.8	Very high	183 Å²	183	55 Å²	55	80%	0.796	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-53	-32.7	-179.7	-71	-176.5	177.3	179.8	0	113.2	W90 W94 H95	W90-K92 PolarHBondContact O-N 3.3Å; K92-W94 PolarHBondContact O-N 3.25Å; K92-H95 WeakPolarHBondContact O-CB 3.39Å; K92-H95 PolarHBondContact O-N 2.75Å
93	A	97.3	Very high	95.9	Very high	83 Å²	83	55.7 Å²	55.7	69%	0.686	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-59.7	-24.7	177	0	0	0	0	0	113.6	P91	P91-A93 PolarHBondContact O-N 3.18Å
94	W	97.7	Very high	95.9	Very high	28 Å²	28	51.8 Å²	51.8	11%	0.106	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-94.3	-7.3	-178.6	-58.2	-5.7	0	0	0	113.3	W90 P91 K92 Q96 Q97 L98 K125 L160 L163 E164	W90-W94 HydrophobicContact CB-CE3 4.38Å; W90-W94 HydrophobicContact CE3-CZ3 4.32Å; P91-W94 HydrophobicContact CB-CD2 4.36Å; P91-W94 HydrophobicContact CB-CG 4.43Å; P91-W94 HydrophobicContact CG-CD2 4.14Å; P91-W94 HydrophobicContact CG-CE3 4.28Å; P91-W94 HydrophobicContact CG-CH2 4.36Å; P91-W94 HydrophobicContact CG-CZ2 4.26Å; P91-W94 HydrophobicContact CG-CZ3 4.39Å; P91-W94 PolarHBondContact O-N 3.21Å; K92-W94 PolarHBondContact O-N 3.25Å; W94-Q96 PolarHBondContact O-N 3.24Å; W94-Q96 VanDerWaalsContact O-N 3.08Å; W94-Q97 WeakPolarHBondContact O-CA 3.48Å; W94-Q97 WeakPolarHBondContact O-CB 3.34Å; W94-Q97 PolarHBondContact O-N 3.15Å; W94-L98 HydrophobicContact CB-CD1 4.41Å; W94-L98 HydrophobicContact CB-CG 4.36Å; W94-L98 WeakPolarHBondContact O-CG 3.48Å; W94-L98 PolarHBondContact O-N 2.62Å; W94-L98 VanDerWaalsContact O-N 3.09Å; W94-K125 HydrophobicContact CB-CG 4.22Å; W94-K125 HydrophobicContact CD2-CD 4.36Å; W94-K125 HydrophobicContact CD2-CG 4.03Å; W94-K125 HydrophobicContact CE3-CD 4.4Å; W94-K125 HydrophobicContact CE3-CG 4.1Å; W94-K125 HydrophobicContact CG-CG 4.08Å; W94-L160 HydrophobicContact CH2-CD1 4.08Å; W94-L160 HydrophobicContact CZ3-CD1 3.86Å; W94-L163 HydrophobicContact CE3-CB 4.47Å; W94-L163 HydrophobicContact CH2-CB 4.15Å; W94-L163 HydrophobicContact CZ3-CB 3.65Å; W94-L163 HydrophobicContact CZ3-CD1 4.35Å; W94-E164 HydrophobicContact CH2-CB 3.71Å; W94-E164 HydrophobicContact CH2-CG 4.33Å; W94-E164 HydrophobicContact CZ2-CB 3.94Å; W94-E164 HydrophobicContact CZ2-CG 4.07Å
95	H	95.7	Very high	95.6	Very high	85 Å²	85	51.4 Å²	51.4	39%	0.394	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-35.4	-170.6	-74.1	-174.7	0	0	0	113.7	W90 P91 K92 S214	W90-H95 PolarHBondContact O-NE2 3.37Å; W90-H95 VanDerWaalsContact O-NE2 3.08Å; P91-H95 PolarHBondContact O-CD2 3.04Å; K92-H95 WeakPolarHBondContact O-CB 3.39Å; K92-H95 PolarHBondContact O-N 2.75Å; H95-S214 VanDerWaalsContact O-CB 3.31Å; H95-S214 WeakPolarHBondContact O-CB 3.14Å
96	Q	95.2	Very high	95.7	Very high	114 Å²	114	50.3 Å²	50.3	53%	0.533	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-9.5	176.5	-62.2	-56.7	-53.2	0	0	114.2	W94 S214 Q305	W94-Q96 PolarHBondContact O-N 3.24Å; W94-Q96 VanDerWaalsContact O-N 3.08Å; Q96-S214 PolarHBondContact O-OG 3.11Å; Q96-Q305 PolarHBondContact O-NE2 2.89Å
97	Q	97.3	Very high	96	Very high	61 Å²	61	46.3 Å²	46.3	29%	0.285	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-15.7	-178	-64.5	169.7	-26	0	0	112.7	W94 V99 C124 K125	W94-Q97 WeakPolarHBondContact O-CA 3.48Å; W94-Q97 WeakPolarHBondContact O-CB 3.34Å; W94-Q97 PolarHBondContact O-N 3.15Å; Q97-V99 PolarHBondContact O-N 3.35Å; Q97-C124 CarbonylContact O-C 3.59Å; Q97-C124 WeakPolarHBondContact O-CA 3.31Å; Q97-C124 WeakPolarHBondContact O-CB 3.07Å; Q97-K125 HydrophobicContact CB-CG 4.28Å; Q97-K125 PolarHBondContact O-N 3.5Å
98	L	98.2	Very high	96.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-73.4	107.5	-178.6	-73.4	157.5	0	0	0	111	W90 W94 K125 P127 L163 L213 S214	W90-L98 HydrophobicContact CB-CD1 3.76Å; W90-L98 HydrophobicContact CD2-CD2 4.2Å; W90-L98 HydrophobicContact CG-CD1 3.61Å; W90-L98 HydrophobicContact CG-CD2 3.95Å; W90-L98 HydrophobicContact CG-CG 4.43Å; W94-L98 HydrophobicContact CB-CD1 4.41Å; W94-L98 HydrophobicContact CB-CG 4.36Å; W94-L98 WeakPolarHBondContact O-CG 3.48Å; W94-L98 PolarHBondContact O-N 2.62Å; W94-L98 VanDerWaalsContact O-N 3.09Å; L98-K125 VanDerWaalsContact CA-O 3.31Å; L98-K125 WeakPolarHBondContact CA-O 3.44Å; L98-K125 HydrophobicContact CD2-CB 3.77Å; L98-K125 HydrophobicContact CG-CB 4.27Å; L98-P127 HydrophobicContact CD2-CG 3.98Å; L98-L163 HydrophobicContact CD2-CD1 4.2Å; L98-L213 HydrophobicContact CB-CD2 4.43Å; L98-S214 PolarHBondContact O-N 3.05Å; L98-S214 PolarHBondContact O-OG 2.8Å
99	V	98.3	Very high	96.5	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	156.1	-178.3	-55.8	0	0	0	0	110.4	Q97 L119 C124 K125 V126 T215 I299	Q97-V99 PolarHBondContact O-N 3.35Å; V99-L119 HydrophobicContact CG2-CD1 4.11Å; V99-C124 HydrophobicContact CG2-CB 3.62Å; V99-K125 PolarHBondContact N-O 2.55Å; V99-V126 HydrophobicContact CG2-CG2 4.16Å; V99-V126 WeakPolarHBondContact O-CA 3.34Å; V99-T215 VanDerWaalsContact CA-O 3.29Å; V99-T215 WeakPolarHBondContact CA-O 3.36Å; V99-I299 HydrophobicContact CB-CG2 3.52Å; V99-I299 HydrophobicContact CG1-CG2 3.87Å; V99-I299 HydrophobicContact CG2-CG2 3.55Å
100	D	98.5	Very high	96.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	163.2	170.8	-163.9	26.9	0	0	0	113.2	V126 M128 K208 L213 T215 L216 V217	D100-V126 WeakPolarHBondContact OD1-CG1 3.21Å; D100-M128 WeakPolarHBondContact OD1-CE 3.29Å; D100-K208 HydrophobicContact CB-CD 4.47Å; D100-K208 WeakPolarHBondContact OD2-CD 3.26Å; D100-K208 WeakPolarHBondContact OD2-CE 3.29Å; D100-K208 IonicContact OD2-NZ 3.24Å; D100-K208 PolarHBondContact OD2-NZ 3.06Å; D100-L213 HydrophobicContact CB-CD1 3.6Å; D100-L213 HydrophobicContact CB-CD2 4.03Å; D100-L213 HydrophobicContact CB-CG 4.47Å; D100-T215 PolarHBondContact N-O 2.84Å; D100-T215 VanDerWaalsContact N-O 3.15Å; D100-L216 HydrophobicContact CB-CD1 4.37Å; D100-V217 PolarHBondContact O-N 3.05Å; D100-V217 VanDerWaalsContact O-N 3.11Å
101	K	98.2	Very high	96.8	Very high	1 Å²	1	32.8 Å²	32.8	0%	0.004	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	130.5	167.1	-170	-88.7	-77.7	179	0	109.9	V111 S112 L115 V217 D219 L295 I299	K101-V111 VanDerWaalsContact CE-CG1 3.47Å; K101-S112 PolarHBondContact NZ-OG 3.3Å; K101-L115 HydrophobicContact CB-CD2 3.72Å; K101-L115 HydrophobicContact CG-CD2 3.84Å; K101-V217 VanDerWaalsContact CA-O 3.29Å; K101-V217 WeakPolarHBondContact CA-O 3.33Å; K101-D219 HydrophobicContact CD-CB 4.15Å; K101-L295 HydrophobicContact CD-CD1 4.45Å; K101-L295 HydrophobicContact CG-CD1 4.42Å; K101-I299 HydrophobicContact CB-CD1 3.89Å
102	H	97.8	Very high	96.8	Very high	17 Å²	17	30.4 Å²	30.4	8%	0.079	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	155.4	165.6	-147.9	75.8	0	0	0	111.9	I204 K208 L216 V217 V218 D219	H102-I204 HydrophobicContact CB-CG2 4.01Å; H102-K208 HydrophobicContact CB-CD 4.32Å; H102-K208 WeakPolarHBondContact ND1-CE 3.29Å; H102-K208 PolarHBondContact ND1-NZ 3.01Å; H102-L216 HydrophobicContact CB-CD1 4.48Å; H102-V217 PolarHBondContact N-O 3.17Å; H102-V218 CarbonylContact O-C 3.55Å; H102-V218 WeakPolarHBondContact O-CA 3.34Å; H102-D219 WeakPolarHBondContact O-CB 3.49Å; H102-D219 PolarHBondContact O-N 2.73Å
103	S	97.2	Very high	96.9	Very high	20 Å²	20	21.7 Å²	21.7	14%	0.14	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	146.9	174.6	179.8	0	0	0	0	109.5	G105 D109 D219 K221	S103-G105 PolarHBondContact O-N 2.68Å; S103-G105 PolarHBondContact OG-N 2.99Å; S103-D109 WeakPolarHBondContact CB-OD2 3.27Å; S103-D109 PolarHBondContact OG-OD2 3.26Å; S103-D219 WeakPolarHBondContact CA-O 3.24Å; S103-K221 WeakPolarHBondContact OG-CE 3.11Å
104	T	94.6	Very high	97	Very high	15 Å²	15	17.7 Å²	17.7	9%	0.092	9%	0.09	C	C	.	.	S	Bend	trans	-71.4	-6.8	171.4	49.3	0	0	0	0	113.2	I200 I204 D219 V220 K221 V227 L237	T104-I200 HydrophobicContact CG2-CG2 4.44Å; T104-I204 HydrophobicContact CG2-CD1 4.05Å; T104-D219 PolarHBondContact N-O 3.03Å; T104-D219 PolarHBondContact OG1-O 3.04Å; T104-D219 VanDerWaalsContact OG1-O 3.13Å; T104-V220 HydrophobicContact CG2-CB 4.32Å; T104-V220 HydrophobicContact CG2-CG1 4.29Å; T104-V220 HydrophobicContact CG2-CG2 4.03Å; T104-V220 WeakPolarHBondContact OG1-CA 3.34Å; T104-K221 PolarHBondContact OG1-N 2.96Å; T104-V227 WeakPolarHBondContact O-CG2 3.4Å; T104-L237 HydrophobicContact CG2-CD2 3.72Å
105	G	88	Confident	97.1	Very high	13 Å²	13	16.4 Å²	16.4	13%	0.134	9%	0.085	C	C	.	.			trans	103.5	137.5	-178.6	0	0	0	0	0	111.3	S103 K221	S103-G105 PolarHBondContact O-N 2.68Å; S103-G105 PolarHBondContact OG-N 2.99Å; G105-K221 VanDerWaalsContact O-CG 3.22Å; G105-K221 WeakPolarHBondContact O-CG 3.38Å
106	G	94.1	Very high	97.2	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.01	7%	0.066	C	C	.	.			trans	-157.6	161.8	-178.8	0	0	0	0	0	111.9
107	V	97.3	Very high	97.4	Very high	2 Å²	2	7 Å²	7	1%	0.012	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	121.5	178.9	-179.2	0	0	0	0	108.5	D109 A225 M259 P262 L263 V267 A380 A384	V107-D109 VanDerWaalsContact C-N 3.27Å; V107-D109 PolarHBondContact O-N 2.9Å; V107-A225 HydrophobicContact CG2-CB 3.69Å; V107-M259 HydrophobicContact CB-SD 4.43Å; V107-M259 PolarHBondContact N-SD 3.13Å; V107-P262 HydrophobicContact CG1-CB 4.37Å; V107-P262 HydrophobicContact CG1-CG 4.42Å; V107-P262 WeakPolarHBondContact O-CA 3.46Å; V107-L263 PolarHBondContact O-N 2.71Å; V107-L263 VanDerWaalsContact O-N 3.09Å; V107-V267 HydrophobicContact CG1-CB 4.49Å; V107-V267 HydrophobicContact CG1-CG1 3.63Å; V107-V267 HydrophobicContact CG1-CG2 3.96Å; V107-A380 HydrophobicContact CB-CB 3.82Å; V107-A380 HydrophobicContact CG1-CB 4.06Å; V107-A380 HydrophobicContact CG2-CB 4.03Å; V107-A384 HydrophobicContact CB-CB 4.45Å; V107-A384 HydrophobicContact CG1-CB 3.99Å; V107-A384 HydrophobicContact CG2-CB 3.58Å
108	G	97.6	Very high	97.5	Very high	1 Å²	1	4 Å²	4	1%	0.01	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	17.6	-172.4	0	0	0	0	0	113.4	K110 L263 E272	G108-K110 WeakPolarHBondContact O-CE 3.49Å; G108-K110 PolarHBondContact O-N 3.02Å; G108-K110 PolarHBondContact O-NZ 2.93Å; G108-L263 WeakPolarHBondContact O-CB 3.44Å; G108-E272 WeakPolarHBondContact CA-OE1 3.33Å
109	D	98.2	Very high	97.5	Very high	8 Å²	8	4.1 Å²	4.1	4%	0.043	3%	0.028	C	C	.	.			trans	-78.2	89.5	177.7	-173.4	-6.8	0	0	0	111.2	S103 V107 V111 K143 K221	S103-D109 WeakPolarHBondContact CB-OD2 3.27Å; S103-D109 PolarHBondContact OG-OD2 3.26Å; V107-D109 VanDerWaalsContact C-N 3.27Å; V107-D109 PolarHBondContact O-N 2.9Å; D109-V111 WeakPolarHBondContact OD1-CB 3.44Å; D109-V111 WeakPolarHBondContact OD1-CG2 3.41Å; D109-V111 PolarHBondContact OD1-N 3.18Å; D109-K143 PolarHBondContact O-NZ 3.31Å; D109-K221 WeakPolarHBondContact OD2-CE 3.38Å; D109-K221 IonicContact OD2-NZ 3.82Å; D109-K221 PolarHBondContact OD2-NZ 3.32Å
110	K	98.4	Very high	97.5	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	3%	0.03	C	C	.	.			trans	-100.5	12.2	174	70.9	-130.3	70.5	165	0	114	G108 S112 L113 L263 S266 E272 E275 A276 L288	G108-K110 WeakPolarHBondContact O-CE 3.49Å; G108-K110 PolarHBondContact O-N 3.02Å; G108-K110 PolarHBondContact O-NZ 2.93Å; K110-S112 PolarHBondContact O-N 3.38Å; K110-S112 VanDerWaalsContact O-N 3.16Å; K110-L113 HydrophobicContact CB-CD1 3.9Å; K110-L113 PolarHBondContact O-N 3.01Å; K110-L113 VanDerWaalsContact O-N 3.08Å; K110-L263 PolarHBondContact NZ-O 3.4Å; K110-S266 PolarHBondContact NZ-O 3.29Å; K110-E272 HydrophobicContact CB-CB 4.15Å; K110-E272 HydrophobicContact CD-CB 4.08Å; K110-E272 HydrophobicContact CD-CG 4.16Å; K110-E272 WeakPolarHBondContact CE-OE2 3.42Å; K110-E275 HydrophobicContact CD-CB 3.98Å; K110-E275 HydrophobicContact CD-CG 4.13Å; K110-E275 WeakPolarHBondContact CD-OE1 3.49Å; K110-E275 IonicContact NZ-OE1 3.31Å; K110-E275 PolarHBondContact NZ-OE1 3.23Å; K110-A276 HydrophobicContact CG-CB 4.29Å; K110-L288 HydrophobicContact CD-CD2 3.99Å; K110-L288 HydrophobicContact CG-CD1 3.92Å; K110-L288 HydrophobicContact CG-CD2 3.8Å
111	V	98.8	Very high	97.6	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-54.2	-41.1	-177.6	173.4	0	0	0	0	111.2	K101 D109 L113 V114 L115 L263 L288 L291 V292 L295	K101-V111 VanDerWaalsContact CE-CG1 3.47Å; D109-V111 WeakPolarHBondContact OD1-CB 3.44Å; D109-V111 WeakPolarHBondContact OD1-CG2 3.41Å; D109-V111 PolarHBondContact OD1-N 3.18Å; V111-L113 VanDerWaalsContact C-N 3.28Å; V111-L113 PolarHBondContact O-N 3.18Å; V111-V114 PolarHBondContact O-N 3.43Å; V111-V114 VanDerWaalsContact O-N 3.12Å; V111-L115 HydrophobicContact CG1-CB 4.03Å; V111-L115 HydrophobicContact CG1-CD2 4.02Å; V111-L115 WeakPolarHBondContact O-CB 3.44Å; V111-L115 PolarHBondContact O-N 2.65Å; V111-L263 HydrophobicContact CG2-CD2 3.42Å; V111-L263 VanDerWaalsContact CG2-CD2 3.42Å; V111-L288 HydrophobicContact CG2-CD1 3.97Å; V111-L291 HydrophobicContact CG2-CB 4.44Å; V111-L291 HydrophobicContact CG2-CD2 3.83Å; V111-L291 HydrophobicContact CG2-CG 4.09Å; V111-V292 HydrophobicContact CB-CG2 4.39Å; V111-V292 HydrophobicContact CG1-CG2 3.94Å; V111-V292 HydrophobicContact CG2-CG2 4.41Å; V111-L295 HydrophobicContact CG1-CD1 4Å
112	S	98.8	Very high	97.6	Very high	6 Å²	6	6.3 Å²	6.3	4%	0.042	5%	0.045	C	C	.	.	H	α-helix	trans	-62.2	-33.1	-177	-68	0	0	0	0	113.4	K101 K110 V114 A116	K101-S112 PolarHBondContact NZ-OG 3.3Å; K110-S112 PolarHBondContact O-N 3.38Å; K110-S112 VanDerWaalsContact O-N 3.16Å; S112-V114 VanDerWaalsContact C-N 3.26Å; S112-V114 PolarHBondContact O-N 2.89Å; S112-A116 WeakPolarHBondContact O-CB 3.42Å; S112-A116 PolarHBondContact O-N 2.64Å
113	L	98.9	Very high	97.6	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-65.7	-31.8	177.6	-71.6	101.1	0	0	0	112.1	K110 V111 P117 T140 K143 L144 V273 A276	K110-L113 HydrophobicContact CB-CD1 3.9Å; K110-L113 PolarHBondContact O-N 3.01Å; K110-L113 VanDerWaalsContact O-N 3.08Å; V111-L113 VanDerWaalsContact C-N 3.28Å; V111-L113 PolarHBondContact O-N 3.18Å; L113-P117 VanDerWaalsContact O-CD 3.25Å; L113-P117 WeakPolarHBondContact O-CD 3.44Å; L113-P117 VanDerWaalsContact O-CG 3.3Å; L113-P117 WeakPolarHBondContact O-CG 3.35Å; L113-T140 HydrophobicContact CD1-CG2 4.06Å; L113-T140 HydrophobicContact CG-CG2 4.33Å; L113-K143 HydrophobicContact CD1-CB 4.3Å; L113-K143 HydrophobicContact CD1-CD 3.98Å; L113-L144 HydrophobicContact CD2-CD2 3.74Å; L113-L144 HydrophobicContact CD2-CG 4.14Å; L113-L144 HydrophobicContact CG-CD2 4.37Å; L113-V273 HydrophobicContact CD2-CG2 3.89Å; L113-A276 HydrophobicContact CB-CB 3.8Å
114	V	98.9	Very high	97.7	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-90.5	-42.5	-179.5	-174.4	0	0	0	0	111.3	V111 S112 P117 A118 A276 C279 L280 V292 L320	V111-V114 PolarHBondContact O-N 3.43Å; V111-V114 VanDerWaalsContact O-N 3.12Å; S112-V114 VanDerWaalsContact C-N 3.26Å; S112-V114 PolarHBondContact O-N 2.89Å; V114-P117 VanDerWaalsContact O-CD 3.28Å; V114-P117 WeakPolarHBondContact O-CD 3.19Å; V114-P117 VanDerWaalsContact O-CG 3.26Å; V114-P117 WeakPolarHBondContact O-CG 3.13Å; V114-A118 VanDerWaalsContact O-CB 3.32Å; V114-A118 WeakPolarHBondContact O-CB 3.14Å; V114-A118 PolarHBondContact O-N 3.11Å; V114-A118 VanDerWaalsContact O-N 3.15Å; V114-A276 HydrophobicContact CG2-CB 3.74Å; V114-C279 HydrophobicContact CG1-CB 4.32Å; V114-C279 HydrophobicContact CG2-CB 3.98Å; V114-L280 HydrophobicContact CG1-CD2 3.87Å; V114-L280 HydrophobicContact CG1-CG 4.15Å; V114-V292 HydrophobicContact CB-CG1 4.43Å; V114-V292 HydrophobicContact CB-CG2 3.92Å; V114-V292 HydrophobicContact CG1-CG1 3.85Å; V114-V292 HydrophobicContact CG1-CG2 4Å; V114-L320 HydrophobicContact CG1-CD2 3.53Å
115	L	98.9	Very high	97.9	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-73.8	-37.6	-169.3	-176.4	59	0	0	0	112.8	K101 V111 A118 L119 V292 L295 I299	K101-L115 HydrophobicContact CB-CD2 3.72Å; K101-L115 HydrophobicContact CG-CD2 3.84Å; V111-L115 HydrophobicContact CG1-CB 4.03Å; V111-L115 HydrophobicContact CG1-CD2 4.02Å; V111-L115 WeakPolarHBondContact O-CB 3.44Å; V111-L115 PolarHBondContact O-N 2.65Å; L115-A118 PolarHBondContact O-N 3.29Å; L115-L119 HydrophobicContact CD1-CD1 4.01Å; L115-L119 HydrophobicContact CD1-CG 3.91Å; L115-L119 HydrophobicContact CD2-CD1 4.5Å; L115-L119 HydrophobicContact CG-CD1 3.84Å; L115-L119 HydrophobicContact CG-CG 4.24Å; L115-L119 WeakPolarHBondContact O-CB 3.2Å; L115-L119 WeakPolarHBondContact O-CG 3.35Å; L115-L119 PolarHBondContact O-N 3.07Å; L115-V292 HydrophobicContact CB-CG1 4.49Å; L115-V292 HydrophobicContact CD1-CG1 4.21Å; L115-L295 HydrophobicContact CD2-CB 4.01Å; L115-I299 HydrophobicContact CD2-CD1 4.2Å
116	A	98.9	Very high	98.4	Very high	1 Å²	1	6.7 Å²	6.7	1%	0.008	5%	0.051	C	C	.	.	H	α-helix	trans	-57.3	-53	176.8	0	0	0	0	0	112.6	S112 L119 A120 V126 M128 C168 I170	S112-A116 WeakPolarHBondContact O-CB 3.42Å; S112-A116 PolarHBondContact O-N 2.64Å; A116-L119 PolarHBondContact O-N 3.03Å; A116-A120 PolarHBondContact O-N 3.45Å; A116-A120 VanDerWaalsContact O-N 3.1Å; A116-V126 HydrophobicContact CB-CG1 4.08Å; A116-M128 HydrophobicContact CB-CE 4.06Å; A116-C168 HydrophobicContact CB-CB 4.31Å; A116-I170 HydrophobicContact CB-CD1 4.12Å; A116-I170 HydrophobicContact CB-CG1 4.31Å
117	P	98.9	Very high	98.6	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-70.8	-28.8	176.9	28.9	-37.3	0	0	0	113.6	L113 V114 A120 A121 L280 A325 R328 F329	L113-P117 VanDerWaalsContact O-CD 3.25Å; L113-P117 WeakPolarHBondContact O-CD 3.44Å; L113-P117 VanDerWaalsContact O-CG 3.3Å; L113-P117 WeakPolarHBondContact O-CG 3.35Å; V114-P117 VanDerWaalsContact O-CD 3.28Å; V114-P117 WeakPolarHBondContact O-CD 3.19Å; V114-P117 VanDerWaalsContact O-CG 3.26Å; V114-P117 WeakPolarHBondContact O-CG 3.13Å; P117-A120 PolarHBondContact O-N 3.17Å; P117-A121 WeakPolarHBondContact O-CB 3.48Å; P117-A121 PolarHBondContact O-N 3.16Å; P117-L280 HydrophobicContact CG-CD2 4.15Å; P117-A325 WeakPolarHBondContact CB-O 3.42Å; P117-R328 HydrophobicContact CB-CB 3.78Å; P117-F329 HydrophobicContact CB-CB 3.95Å; P117-F329 HydrophobicContact CG-CB 3.97Å; P117-F329 HydrophobicContact CG-CD2 4.03Å; P117-F329 HydrophobicContact CG-CG 4.46Å
118	A	98.9	Very high	98.6	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-66.2	-42.5	175	0	0	0	0	0	112.4	V114 L115 A121 C122 V316 L320 A325	V114-A118 VanDerWaalsContact O-CB 3.32Å; V114-A118 WeakPolarHBondContact O-CB 3.14Å; V114-A118 PolarHBondContact O-N 3.11Å; V114-A118 VanDerWaalsContact O-N 3.15Å; L115-A118 PolarHBondContact O-N 3.29Å; A118-A121 WeakPolarHBondContact O-CB 3.48Å; A118-A121 PolarHBondContact O-N 2.98Å; A118-C122 PolarHBondContact O-N 3.41Å; A118-C122 PolarHBondContact O-SG 3.48Å; A118-C122 VanDerWaalsContact O-SG 3.42Å; A118-V316 HydrophobicContact CB-CG1 4.2Å; A118-L320 HydrophobicContact CB-CD2 4.2Å; A118-A325 HydrophobicContact CB-CB 3.96Å
119	L	98.9	Very high	98.5	Very high	1 Å²	1	6.6 Å²	6.6	1%	0.005	5%	0.05	C	C	.	.	H	α-helix	trans	-65.1	-40.5	173.4	-72.6	168.8	0	0	0	111.5	V99 L115 A116 A121 C122 G123 C124 V126 I299 L300	V99-L119 HydrophobicContact CG2-CD1 4.11Å; L115-L119 HydrophobicContact CD1-CD1 4.01Å; L115-L119 HydrophobicContact CD1-CG 3.91Å; L115-L119 HydrophobicContact CD2-CD1 4.5Å; L115-L119 HydrophobicContact CG-CD1 3.84Å; L115-L119 HydrophobicContact CG-CG 4.24Å; L115-L119 WeakPolarHBondContact O-CB 3.2Å; L115-L119 WeakPolarHBondContact O-CG 3.35Å; L115-L119 PolarHBondContact O-N 3.07Å; A116-L119 PolarHBondContact O-N 3.03Å; L119-A121 VanDerWaalsContact C-N 3.3Å; L119-A121 PolarHBondContact O-N 2.89Å; L119-C122 CarbonylContact O-C 3.54Å; L119-C122 WeakPolarHBondContact O-CA 3.42Å; L119-C122 WeakPolarHBondContact O-CB 3.27Å; L119-C122 PolarHBondContact O-N 3.23Å; L119-G123 PolarHBondContact O-N 3.3Å; L119-C124 HydrophobicContact CB-CB 4.16Å; L119-C124 WeakPolarHBondContact O-CB 3.11Å; L119-C124 PolarHBondContact O-N 2.71Å; L119-V126 HydrophobicContact CB-CG2 3.75Å; L119-V126 HydrophobicContact CD1-CG2 4.3Å; L119-I299 HydrophobicContact CD1-CD1 3.75Å; L119-I299 HydrophobicContact CD1-CG2 4.18Å; L119-I299 HydrophobicContact CD2-CB 4.21Å; L119-I299 HydrophobicContact CD2-CG2 3.87Å; L119-L300 HydrophobicContact CD2-CD2 4.03Å; L119-L300 HydrophobicContact CD2-CG 4.12Å
120	A	98.9	Very high	98.3	Very high	5 Å²	5	6.5 Å²	6.5	4%	0.041	5%	0.05	C	C	.	.	H	α-helix	trans	-60.7	-39.2	173.5	0	0	0	0	0	112.3	A116 P117 C122 G123 C168 R328	A116-A120 PolarHBondContact O-N 3.45Å; A116-A120 VanDerWaalsContact O-N 3.1Å; P117-A120 PolarHBondContact O-N 3.17Å; A120-C122 VanDerWaalsContact C-N 3.25Å; A120-C122 PolarHBondContact O-N 3.4Å; A120-G123 PolarHBondContact O-N 3Å; A120-G123 VanDerWaalsContact O-N 3.08Å; A120-C168 HydrophobicContact CB-CB 3.91Å; A120-R328 HydrophobicContact CB-CB 4.38Å; A120-R328 HydrophobicContact CB-CG 4.24Å
121	A	98.8	Very high	97.8	Very high	31 Å²	31	6.8 Å²	6.8	26%	0.256	5%	0.053	S	C	.	.	H	α-helix	trans	-65.6	-30.1	173.7	0	0	0	0	0	112.3	P117 A118 L119 G123 A319 R328	P117-A121 WeakPolarHBondContact O-CB 3.48Å; P117-A121 PolarHBondContact O-N 3.16Å; A118-A121 WeakPolarHBondContact O-CB 3.48Å; A118-A121 PolarHBondContact O-N 2.98Å; L119-A121 VanDerWaalsContact C-N 3.3Å; L119-A121 PolarHBondContact O-N 2.89Å; A121-G123 PolarHBondContact O-N 2.73Å; A121-A319 HydrophobicContact CB-CB 3.98Å; A121-R328 HydrophobicContact CB-CG 3.96Å
122	C	98.7	Very high	97.5	Very high	11 Å²	11	11 Å²	11	7%	0.074	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	4.1	172	-70.8	0	0	0	0	114.4	A118 L119 A120 L300 R315	A118-C122 PolarHBondContact O-N 3.41Å; A118-C122 PolarHBondContact O-SG 3.48Å; A118-C122 VanDerWaalsContact O-SG 3.42Å; L119-C122 CarbonylContact O-C 3.54Å; L119-C122 WeakPolarHBondContact O-CA 3.42Å; L119-C122 WeakPolarHBondContact O-CB 3.27Å; L119-C122 PolarHBondContact O-N 3.23Å; A120-C122 VanDerWaalsContact C-N 3.25Å; A120-C122 PolarHBondContact O-N 3.4Å; C122-L300 HydrophobicContact CB-CD1 4.09Å; C122-L300 HydrophobicContact CB-CD2 4.14Å; C122-R315 PolarHBondContact O-NH2 2.84Å
123	G	98.1	Very high	96.9	Very high	40 Å²	40	11.1 Å²	11.1	41%	0.412	7%	0.07	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.2	8.2	176.3	0	0	0	0	0	115	L119 A120 A121	L119-G123 PolarHBondContact O-N 3.3Å; A120-G123 PolarHBondContact O-N 3Å; A120-G123 VanDerWaalsContact O-N 3.08Å; A121-G123 PolarHBondContact O-N 2.73Å
124	C	98.8	Very high	96.1	Very high	2 Å²	2	11.8 Å²	11.8	1%	0.014	7%	0.073	C	C	.	.			trans	-80.2	166.6	171.9	-62	0	0	0	0	112.2	Q97 V99 L119 V126 L300	Q97-C124 CarbonylContact O-C 3.59Å; Q97-C124 WeakPolarHBondContact O-CA 3.31Å; Q97-C124 WeakPolarHBondContact O-CB 3.07Å; V99-C124 HydrophobicContact CG2-CB 3.62Å; L119-C124 HydrophobicContact CB-CB 4.16Å; L119-C124 WeakPolarHBondContact O-CB 3.11Å; L119-C124 PolarHBondContact O-N 2.71Å; C124-V126 HydrophobicContact CB-CG2 4.48Å; C124-L300 WeakPolarHBondContact SG-CD2 3.1Å
125	K	98.8	Very high	95.4	Very high	31 Å²	31	13.2 Å²	13.2	14%	0.135	9%	0.088	C	C	.	.	B	Isolated β-bridge	trans	-113.4	124.9	167.9	-61.4	-59.9	-171.5	-178.9	0	108.7	W94 Q97 L98 V99 P127 L163 E164 G167	W94-K125 HydrophobicContact CB-CG 4.22Å; W94-K125 HydrophobicContact CD2-CD 4.36Å; W94-K125 HydrophobicContact CD2-CG 4.03Å; W94-K125 HydrophobicContact CE3-CD 4.4Å; W94-K125 HydrophobicContact CE3-CG 4.1Å; W94-K125 HydrophobicContact CG-CG 4.08Å; Q97-K125 HydrophobicContact CB-CG 4.28Å; Q97-K125 PolarHBondContact O-N 3.5Å; L98-K125 VanDerWaalsContact CA-O 3.31Å; L98-K125 WeakPolarHBondContact CA-O 3.44Å; L98-K125 HydrophobicContact CD2-CB 3.77Å; L98-K125 HydrophobicContact CG-CB 4.27Å; V99-K125 PolarHBondContact N-O 2.55Å; K125-P127 WeakPolarHBondContact O-CD 3.35Å; K125-L163 HydrophobicContact CB-CD1 4.32Å; K125-L163 WeakPolarHBondContact CD-O 3.38Å; K125-L163 WeakPolarHBondContact CE-O 3.37Å; K125-L163 PolarHBondContact NZ-O 2.82Å; K125-E164 PolarHBondContact NZ-O 3.37Å; K125-G167 CarbonylContact C-O 3.57Å; K125-G167 VanDerWaalsContact CA-O 3.28Å; K125-G167 WeakPolarHBondContact CA-O 3.5Å
126	V	98.8	Very high	94.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	88.3	-173.4	-171	0	0	0	0	111.1	V99 D100 A116 L119 C124 M128 G167 C168 C169	V99-V126 HydrophobicContact CG2-CG2 4.16Å; V99-V126 WeakPolarHBondContact O-CA 3.34Å; D100-V126 WeakPolarHBondContact OD1-CG1 3.21Å; A116-V126 HydrophobicContact CB-CG1 4.08Å; L119-V126 HydrophobicContact CB-CG2 3.75Å; L119-V126 HydrophobicContact CD1-CG2 4.3Å; C124-V126 HydrophobicContact CB-CG2 4.48Å; V126-M128 VanDerWaalsContact C-N 3.28Å; V126-M128 HydrophobicContact CG1-CB 4.22Å; V126-M128 HydrophobicContact CG1-CE 4.33Å; V126-M128 PolarHBondContact O-N 3.3Å; V126-M128 VanDerWaalsContact O-N 3.13Å; V126-G167 PolarHBondContact N-O 2.74Å; V126-C168 HydrophobicContact CB-CB 3.84Å; V126-C168 HydrophobicContact CG2-CB 4.45Å; V126-C168 WeakPolarHBondContact O-CA 3.39Å; V126-C169 PolarHBondContact O-N 2.99Å
127	P	98.1	Very high	94.1	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	58.4	177.8	33.6	-34.8	0	0	0	112.4	W90 L98 K125 I129 M159 L163 E211 L213	W90-P127 HydrophobicContact CH2-CB 3.94Å; W90-P127 HydrophobicContact CZ2-CB 3.45Å; W90-P127 VanDerWaalsContact CZ2-CB 3.45Å; W90-P127 HydrophobicContact CZ2-CG 3.91Å; L98-P127 HydrophobicContact CD2-CG 3.98Å; K125-P127 WeakPolarHBondContact O-CD 3.35Å; P127-I129 PolarHBondContact O-N 3.39Å; P127-I129 VanDerWaalsContact O-N 3.08Å; P127-M159 HydrophobicContact CB-CE 4.04Å; P127-L163 HydrophobicContact CB-CD1 3.75Å; P127-L163 HydrophobicContact CG-CD1 4.25Å; P127-E211 HydrophobicContact CG-CB 4.07Å; P127-E211 HydrophobicContact CG-CG 4.33Å; P127-E211 WeakPolarHBondContact O-CG 3.28Å; P127-L213 HydrophobicContact CG-CD2 3.92Å
128	M	98.3	Very high	93.4	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.01	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	110.7	-167.1	-175.1	-177.9	-69	0	0	112.7	D100 A116 V126 C169 I170 V171	D100-M128 WeakPolarHBondContact OD1-CE 3.29Å; A116-M128 HydrophobicContact CB-CE 4.06Å; V126-M128 VanDerWaalsContact C-N 3.28Å; V126-M128 HydrophobicContact CG1-CB 4.22Å; V126-M128 HydrophobicContact CG1-CE 4.33Å; V126-M128 PolarHBondContact O-N 3.3Å; V126-M128 VanDerWaalsContact O-N 3.13Å; M128-C169 WeakPolarHBondContact CB-O 3.41Å; M128-C169 PolarHBondContact N-O 3.22Å; M128-I170 HydrophobicContact CB-CG1 4.23Å; M128-I170 WeakPolarHBondContact O-CA 3.36Å; M128-I170 HydrophobicContact SD-CD1 4.21Å; M128-I170 HydrophobicContact SD-CG1 4.03Å; M128-I170 HydrophobicContact SD-CG2 4.21Å; M128-V171 PolarHBondContact O-N 2.77Å
129	I	95.5	Very high	93.1	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	108.3	164.1	-52.3	175.7	0	0	0	108.3	L88 P127 V171 Q173 L177 K207 K208 V210 E211	L88-I129 HydrophobicContact CD1-CD1 4.33Å; P127-I129 PolarHBondContact O-N 3.39Å; P127-I129 VanDerWaalsContact O-N 3.08Å; I129-V171 CarbonylContact C-O 3.54Å; I129-V171 WeakPolarHBondContact CA-O 3.35Å; I129-V171 HydrophobicContact CG1-CG2 4.01Å; I129-Q173 HydrophobicContact CG2-CG 4.45Å; I129-L177 HydrophobicContact CD1-CB 4.5Å; I129-L177 HydrophobicContact CD1-CD1 4.32Å; I129-K207 HydrophobicContact CB-CB 4.42Å; I129-K207 HydrophobicContact CG2-CB 4.39Å; I129-K207 HydrophobicContact CG2-CD 3.96Å; I129-K207 HydrophobicContact CG2-CG 4.07Å; I129-K208 PolarHBondContact O-NZ 3.13Å; I129-V210 HydrophobicContact CD1-CG2 3.44Å; I129-V210 VanDerWaalsContact CD1-CG2 3.44Å; I129-E211 WeakPolarHBondContact CA-OE1 3.27Å; I129-E211 WeakPolarHBondContact CB-OE1 3.48Å; I129-E211 HydrophobicContact CD1-CG 3.77Å; I129-E211 HydrophobicContact CG1-CG 3.85Å; I129-E211 WeakPolarHBondContact CG1-OE1 3.46Å; I129-E211 PolarHBondContact N-OE1 2.68Å
130	S	93.6	Very high	92.9	Very high	7 Å²	7	18.3 Å²	18.3	5%	0.049	12%	0.121	C	C	.	.			trans	-107.7	178	-177.4	-160.7	0	0	0	0	112.1	T140 V171 Q173	S130-T140 WeakPolarHBondContact OG-CB 3.39Å; S130-T140 PolarHBondContact OG-OG1 3.49Å; S130-V171 PolarHBondContact N-O 3.49Å; S130-Q173 PolarHBondContact O-OE1 3.48Å
131	G	88.6	Confident	92.8	Very high	6 Å²	6	18.2 Å²	18.2	6%	0.062	12%	0.12	C	C	.	.			trans	-117.2	163.2	179.6	0	0	0	0	0	113	T140 L141	G131-T140 PolarHBondContact O-N 3.47Å; G131-L141 WeakPolarHBondContact O-CG 3.24Å; G131-L141 PolarHBondContact O-N 3.37Å
132	R	91	Very high	92.6	Very high	87 Å²	87	17 Å²	17	33%	0.328	11%	0.109	S	C	.	.			trans	-77.3	179	164.9	-65.7	-175.3	174.6	-79	-0.4	110.2	G139 L141 D142 E145 Y185	R132-G139 VanDerWaalsContact C-CA 3.5Å; R132-L141 HydrophobicContact CG-CB 4.2Å; R132-L141 HydrophobicContact CG-CD1 4.14Å; R132-D142 IonicContact CZ-OD1 2.78Å; R132-D142 IonicContact NH1-OD1 2.67Å; R132-D142 PolarHBondContact NH1-OD1 3.07Å; R132-E145 IonicContact CZ-OE1 3.89Å; R132-E145 IonicContact CZ-OE2 3.7Å; R132-E145 IonicContact NH1-OE1 3.26Å; R132-E145 IonicContact NH1-OE2 3.06Å; R132-E145 PolarHBondContact NH1-OE2 2.89Å; R132-E145 IonicContact NH2-OE1 2.77Å; R132-E145 PolarHBondContact NH2-OE1 3.19Å; R132-E145 IonicContact NH2-OE2 3.12Å; R132-E145 PolarHBondContact NH2-OE2 3.48Å; R132-Y185 PolarHBondContact O-OH 3.35Å
133	S	86.5	Confident	92.5	Very high	10 Å²	10	16.5 Å²	16.5	7%	0.07	11%	0.106	C	C	.	.			trans	-54.5	145	175.5	-55.9	0	0	0	0	111.1	T137 G139 D142	S133-T137 VanDerWaalsContact CA-O 3.29Å; S133-T137 WeakPolarHBondContact CA-O 3.42Å; S133-T137 WeakPolarHBondContact CB-O 3.5Å; S133-G139 PolarHBondContact OG-N 3.4Å; S133-D142 WeakPolarHBondContact CB-OD2 3.47Å; S133-D142 PolarHBondContact N-OD2 2.99Å; S133-D142 PolarHBondContact OG-OD2 3.49Å
134	L	82.8	Confident	92.6	Very high	13 Å²	13	14.6 Å²	14.6	7%	0.068	9%	0.086	C	C	.	.	B	Isolated β-bridge	trans	-141.8	120.3	-179.1	-173.1	67.9	0	0	0	110	H136 T137 Y185 D189 V194	L134-H136 PolarHBondContact O-N 3.01Å; L134-T137 PolarHBondContact N-O 3.27Å; L134-T137 PolarHBondContact O-N 2.89Å; L134-T137 PolarHBondContact O-OG1 2.92Å; L134-Y185 HydrophobicContact CB-CE1 4Å; L134-Y185 WeakPolarHBondContact CB-OH 3.48Å; L134-Y185 HydrophobicContact CD1-CD1 4.07Å; L134-Y185 HydrophobicContact CD1-CE1 3.71Å; L134-Y185 HydrophobicContact CD2-CE1 4.28Å; L134-Y185 HydrophobicContact CD2-CE2 3.87Å; L134-Y185 HydrophobicContact CG-CE1 4.21Å; L134-D189 HydrophobicContact CD1-CB 3.7Å; L134-V194 HydrophobicContact CD1-CG2 3.72Å; L134-V194 HydrophobicContact CD2-CG1 3.6Å; L134-V194 HydrophobicContact CD2-CG2 4.22Å; L134-V194 HydrophobicContact CG-CG1 3.88Å; L134-V194 HydrophobicContact CG-CG2 3.81Å
135	G	83.3	Confident	92.5	Very high	30 Å²	30	18.3 Å²	18.3	31%	0.309	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	-124.1	-170.4	0	0	0	0	0	110.9	D189	G135-D189 PolarHBondContact N-OD1 2.93Å
136	H	85.7	Confident	92.4	Very high	55 Å²	55	17 Å²	17	26%	0.255	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	0.2	176.5	63.7	-85.3	0	0	0	113.7	L134 A225 L381 A384	L134-H136 PolarHBondContact O-N 3.01Å; H136-A225 PolarHBondContact NE2-O 3.47Å; H136-L381 HydrophobicContact CB-CD1 4.26Å; H136-A384 HydrophobicContact CB-CB 4.3Å; H136-A384 WeakPolarHBondContact O-CB 3.5Å
137	T	84.3	Confident	92.4	Very high	10 Å²	10	17 Å²	17	6%	0.061	10%	0.098	C	C	.	.	B	Isolated β-bridge	trans	-94.4	131.5	-177.3	68.6	0	0	0	0	110.6	S133 L134	S133-T137 VanDerWaalsContact CA-O 3.29Å; S133-T137 WeakPolarHBondContact CA-O 3.42Å; S133-T137 WeakPolarHBondContact CB-O 3.5Å; L134-T137 PolarHBondContact N-O 3.27Å; L134-T137 PolarHBondContact O-N 2.89Å; L134-T137 PolarHBondContact O-OG1 2.92Å
138	G	84.9	Confident	92.4	Very high	25 Å²	25	20 Å²	20	26%	0.258	12%	0.117	S	C	.	.	P	Polyproline II helix	trans	-73.3	141.9	176.7	0	0	0	0	0	111.9
139	G	92.3	Very high	92.3	Very high	6 Å²	6	22.4 Å²	22.4	6%	0.062	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-94	143.4	-178.5	0	0	0	0	0	114.1	R132 S133 L141 D142 K143	R132-G139 VanDerWaalsContact C-CA 3.5Å; S133-G139 PolarHBondContact OG-N 3.4Å; G139-L141 VanDerWaalsContact C-N 3.25Å; G139-L141 PolarHBondContact O-N 3.37Å; G139-D142 PolarHBondContact O-N 3.29Å; G139-K143 WeakPolarHBondContact O-CG 3.44Å; G139-K143 PolarHBondContact O-N 2.9Å; G139-K143 VanDerWaalsContact O-N 3.15Å
140	T	96.3	Very high	92.5	Very high	14 Å²	14	23.1 Å²	23.1	9%	0.086	15%	0.146	C	C	.	.	H	α-helix	trans	-59.1	-37.1	178	-50.1	0	0	0	0	112.4	L113 S130 G131 K143 L144 I170	L113-T140 HydrophobicContact CD1-CG2 4.06Å; L113-T140 HydrophobicContact CG-CG2 4.33Å; S130-T140 WeakPolarHBondContact OG-CB 3.39Å; S130-T140 PolarHBondContact OG-OG1 3.49Å; G131-T140 PolarHBondContact O-N 3.47Å; T140-K143 WeakPolarHBondContact O-CB 3.27Å; T140-K143 PolarHBondContact O-N 3.19Å; T140-L144 HydrophobicContact CG2-CD1 4.13Å; T140-L144 PolarHBondContact O-N 2.87Å; T140-I170 HydrophobicContact CG2-CD1 4.41Å; T140-I170 HydrophobicContact CG2-CG2 4.13Å
141	L	95.3	Very high	92.6	Very high	2 Å²	2	24 Å²	24	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-65.6	-43.1	179.5	-59.7	-176.7	0	0	0	111.9	G131 R132 G139 K143 L144 E145 V152 I170 G172	G131-L141 WeakPolarHBondContact O-CG 3.24Å; G131-L141 PolarHBondContact O-N 3.37Å; R132-L141 HydrophobicContact CG-CB 4.2Å; R132-L141 HydrophobicContact CG-CD1 4.14Å; G139-L141 VanDerWaalsContact C-N 3.25Å; G139-L141 PolarHBondContact O-N 3.37Å; L141-K143 PolarHBondContact O-N 2.95Å; L141-L144 PolarHBondContact O-N 3.19Å; L141-E145 WeakPolarHBondContact O-CG 3.21Å; L141-E145 PolarHBondContact O-N 2.8Å; L141-V152 HydrophobicContact CB-CG1 4.22Å; L141-V152 HydrophobicContact CD2-CB 4.17Å; L141-V152 HydrophobicContact CD2-CG1 4.03Å; L141-I170 HydrophobicContact CD2-CG2 4.02Å; L141-G172 VanDerWaalsContact CD1-CA 3.4Å
142	D	94.7	Very high	93	Very high	6 Å²	6	24.1 Å²	24.1	3%	0.032	16%	0.156	C	C	.	.	H	α-helix	trans	-65.4	-31.9	178.2	-60	-38.6	0	0	0	110.9	R132 S133 G139 H269 R394 I401	R132-D142 IonicContact CZ-OD1 2.78Å; R132-D142 IonicContact NH1-OD1 2.67Å; R132-D142 PolarHBondContact NH1-OD1 3.07Å; S133-D142 WeakPolarHBondContact CB-OD2 3.47Å; S133-D142 PolarHBondContact N-OD2 2.99Å; S133-D142 PolarHBondContact OG-OD2 3.49Å; G139-D142 PolarHBondContact O-N 3.29Å; D142-H269 VanDerWaalsContact CB-CD2 3.48Å; D142-H269 WeakPolarHBondContact CB-CD2 3.34Å; D142-H269 WeakPolarHBondContact CB-NE2 3.48Å; D142-H269 PolarHBondContact O-CD2 2.64Å; D142-R394 VanDerWaalsContact CG-NH1 3.25Å; D142-R394 IonicContact OD1-CZ 3.4Å; D142-R394 VanDerWaalsContact OD1-CZ 3.31Å; D142-R394 IonicContact OD1-NH1 3.14Å; D142-R394 PolarHBondContact OD1-NH1 2.62Å; D142-R394 IonicContact OD1-NH2 2.73Å; D142-R394 PolarHBondContact OD1-NH2 2.85Å; D142-R394 IonicContact OD2-CZ 3.17Å; D142-R394 IonicContact OD2-NH1 3.58Å; D142-R394 PolarHBondContact OD2-NH1 2.93Å; D142-R394 IonicContact OD2-NH2 3.75Å; D142-I401 HydrophobicContact CB-CD1 3.93Å
143	K	97.8	Very high	93.1	Very high	1 Å²	1	24.5 Å²	24.5	0%	0.004	17%	0.168	C	C	.	.	H	α-helix	trans	-66	-48.7	173.9	-63.2	168.3	-162	-171.3	0	110.5	D109 L113 G139 T140 L141 E145 S146 E272 V273	D109-K143 PolarHBondContact O-NZ 3.31Å; L113-K143 HydrophobicContact CD1-CB 4.3Å; L113-K143 HydrophobicContact CD1-CD 3.98Å; G139-K143 WeakPolarHBondContact O-CG 3.44Å; G139-K143 PolarHBondContact O-N 2.9Å; G139-K143 VanDerWaalsContact O-N 3.15Å; T140-K143 WeakPolarHBondContact O-CB 3.27Å; T140-K143 PolarHBondContact O-N 3.19Å; L141-K143 PolarHBondContact O-N 2.95Å; K143-E145 PolarHBondContact O-N 3.11Å; K143-S146 VanDerWaalsContact O-CB 3.28Å; K143-S146 WeakPolarHBondContact O-CB 3.26Å; K143-S146 PolarHBondContact O-N 3.17Å; K143-S146 VanDerWaalsContact O-N 3.14Å; K143-S146 PolarHBondContact O-OG 2.86Å; K143-E272 HydrophobicContact CD-CB 4.16Å; K143-E272 VanDerWaalsContact CE-OE2 3.25Å; K143-E272 WeakPolarHBondContact CE-OE2 3.42Å; K143-E272 HydrophobicContact CG-CB 4.47Å; K143-E272 IonicContact NZ-OE1 3.59Å; K143-E272 IonicContact NZ-OE2 3.07Å; K143-E272 PolarHBondContact NZ-OE2 3.06Å; K143-V273 HydrophobicContact CB-CG2 4.4Å; K143-V273 VanDerWaalsContact O-CG2 3.22Å; K143-V273 WeakPolarHBondContact O-CG2 3.49Å
144	L	98.3	Very high	93.5	Very high	0 Å²	0	25 Å²	25	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-66	-36	-179.8	-72.7	165.6	0	0	0	112.9	L113 T140 L141 S146 I147 F150 I170 F329	L113-L144 HydrophobicContact CD2-CD2 3.74Å; L113-L144 HydrophobicContact CD2-CG 4.14Å; L113-L144 HydrophobicContact CG-CD2 4.37Å; T140-L144 HydrophobicContact CG2-CD1 4.13Å; T140-L144 PolarHBondContact O-N 2.87Å; L141-L144 PolarHBondContact O-N 3.19Å; L144-S146 PolarHBondContact O-N 2.9Å; L144-I147 HydrophobicContact CD2-CD1 4.37Å; L144-I147 VanDerWaalsContact O-CB 3.31Å; L144-I147 WeakPolarHBondContact O-CB 3.16Å; L144-I147 PolarHBondContact O-N 3.35Å; L144-F150 HydrophobicContact CB-CD1 3.71Å; L144-F150 HydrophobicContact CB-CE1 3.7Å; L144-F150 HydrophobicContact CB-CG 4.2Å; L144-F150 HydrophobicContact CB-CZ 4.16Å; L144-F150 HydrophobicContact CD1-CE1 3.86Å; L144-F150 HydrophobicContact CD1-CZ 3.84Å; L144-F150 HydrophobicContact CD2-CE1 4.46Å; L144-F150 HydrophobicContact CD2-CE2 4.12Å; L144-F150 HydrophobicContact CD2-CZ 4.06Å; L144-F150 HydrophobicContact CG-CE1 4.22Å; L144-F150 HydrophobicContact CG-CZ 4.25Å; L144-F150 WeakPolarHBondContact O-CB 3.33Å; L144-I170 HydrophobicContact CD1-CB 3.64Å; L144-I170 HydrophobicContact CD1-CD1 3.92Å; L144-I170 HydrophobicContact CD1-CG1 4.36Å; L144-I170 HydrophobicContact CD1-CG2 3.51Å; L144-F329 HydrophobicContact CD2-CE2 4.39Å
145	E	96.9	Very high	93.9	Very high	80 Å²	80	25.9 Å²	25.9	37%	0.374	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-10.2	174.9	-74.9	-179.8	151.9	0	0	113.6	R132 L141 K143 I147 V152	R132-E145 IonicContact CZ-OE1 3.89Å; R132-E145 IonicContact CZ-OE2 3.7Å; R132-E145 IonicContact NH1-OE1 3.26Å; R132-E145 IonicContact NH1-OE2 3.06Å; R132-E145 PolarHBondContact NH1-OE2 2.89Å; R132-E145 IonicContact NH2-OE1 2.77Å; R132-E145 PolarHBondContact NH2-OE1 3.19Å; R132-E145 IonicContact NH2-OE2 3.12Å; R132-E145 PolarHBondContact NH2-OE2 3.48Å; L141-E145 WeakPolarHBondContact O-CG 3.21Å; L141-E145 PolarHBondContact O-N 2.8Å; K143-E145 PolarHBondContact O-N 3.11Å; E145-I147 PolarHBondContact O-N 3.4Å; E145-V152 HydrophobicContact CG-CG1 3.72Å; E145-V152 HydrophobicContact CG-CG2 4.41Å; E145-V152 WeakPolarHBondContact OE1-CG2 3.47Å
146	S	97.1	Very high	94.3	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.014	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-19.3	166.7	73.8	0	0	0	0	112.7	K143 L144 P148 V273 P359	K143-S146 VanDerWaalsContact O-CB 3.28Å; K143-S146 WeakPolarHBondContact O-CB 3.26Å; K143-S146 PolarHBondContact O-N 3.17Å; K143-S146 VanDerWaalsContact O-N 3.14Å; K143-S146 PolarHBondContact O-OG 2.86Å; L144-S146 PolarHBondContact O-N 2.9Å; S146-P148 WeakPolarHBondContact O-CD 3.45Å; S146-V273 WeakPolarHBondContact OG-CG2 3.39Å; S146-P359 WeakPolarHBondContact O-CD 3.37Å; S146-P359 VanDerWaalsContact O-CG 3.31Å; S146-P359 WeakPolarHBondContact O-CG 3.2Å
147	I	98.6	Very high	94.8	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	18%	0.182	C	C	.	.	S	Bend	trans	-82.3	118.8	175.5	-55.5	173.4	0	0	0	108.4	L144 E145 G149 F150 V273 F329 L333 V338 L346 L358	L144-I147 HydrophobicContact CD2-CD1 4.37Å; L144-I147 VanDerWaalsContact O-CB 3.31Å; L144-I147 WeakPolarHBondContact O-CB 3.16Å; L144-I147 PolarHBondContact O-N 3.35Å; E145-I147 PolarHBondContact O-N 3.4Å; I147-G149 PolarHBondContact O-N 2.97Å; I147-F150 HydrophobicContact CB-CB 4.21Å; I147-F150 WeakPolarHBondContact O-CB 3.43Å; I147-F150 PolarHBondContact O-N 3.3Å; I147-F150 VanDerWaalsContact O-N 3.12Å; I147-V273 HydrophobicContact CD1-CG1 3.83Å; I147-V273 HydrophobicContact CD1-CG2 4.45Å; I147-V273 HydrophobicContact CG1-CG1 3.94Å; I147-V273 HydrophobicContact CG1-CG2 4.36Å; I147-F329 HydrophobicContact CD1-CZ 4.27Å; I147-L333 HydrophobicContact CD1-CD1 4.33Å; I147-L333 HydrophobicContact CD1-CD2 3.52Å; I147-V338 HydrophobicContact CG2-CG1 4.05Å; I147-V338 HydrophobicContact CG2-CG2 3.76Å; I147-L346 HydrophobicContact CG2-CD1 3.76Å; I147-L358 HydrophobicContact CG1-CD2 4.2Å
148	P	98.2	Very high	95.3	Very high	62 Å²	62	32.4 Å²	32.4	40%	0.403	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	124.2	-179.4	-26.5	34.5	0	0	0	112.7	S146 L342	S146-P148 WeakPolarHBondContact O-CD 3.45Å; P148-L342 HydrophobicContact CB-CD2 3.91Å; P148-L342 HydrophobicContact CG-CD2 4.19Å
149	G	97.8	Very high	95.9	Very high	54 Å²	54	31.2 Å²	31.2	56%	0.557	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	89	-4.3	177.9	0	0	0	0	0	115.7	I147 G151 G337	I147-G149 PolarHBondContact O-N 2.97Å; G149-G151 PolarHBondContact O-N 3.43Å; G149-G337 CarbonylContact O-C 3.43Å
150	F	98.5	Very high	96.1	Very high	15 Å²	15	34 Å²	34	7%	0.066	20%	0.201	C	C	.	.			trans	-68	120	-179.2	-167.3	-82.8	0	0	0	112.3	L144 I147 V152 L333 Q336 V338	L144-F150 HydrophobicContact CB-CD1 3.71Å; L144-F150 HydrophobicContact CB-CE1 3.7Å; L144-F150 HydrophobicContact CB-CG 4.2Å; L144-F150 HydrophobicContact CB-CZ 4.16Å; L144-F150 HydrophobicContact CD1-CE1 3.86Å; L144-F150 HydrophobicContact CD1-CZ 3.84Å; L144-F150 HydrophobicContact CD2-CE1 4.46Å; L144-F150 HydrophobicContact CD2-CE2 4.12Å; L144-F150 HydrophobicContact CD2-CZ 4.06Å; L144-F150 HydrophobicContact CG-CE1 4.22Å; L144-F150 HydrophobicContact CG-CZ 4.25Å; L144-F150 WeakPolarHBondContact O-CB 3.33Å; I147-F150 HydrophobicContact CB-CB 4.21Å; I147-F150 WeakPolarHBondContact O-CB 3.43Å; I147-F150 PolarHBondContact O-N 3.3Å; I147-F150 VanDerWaalsContact O-N 3.12Å; F150-V152 HydrophobicContact CD1-CG1 3.8Å; F150-V152 HydrophobicContact CE1-CG1 3.82Å; F150-L333 HydrophobicContact CD2-CD2 3.64Å; F150-L333 HydrophobicContact CE2-CD2 3.73Å; F150-Q336 HydrophobicContact CD2-CB 4.26Å; F150-Q336 HydrophobicContact CE1-CB 4.47Å; F150-Q336 HydrophobicContact CE2-CB 3.81Å; F150-Q336 HydrophobicContact CE2-CG 4.47Å; F150-Q336 HydrophobicContact CZ-CB 3.94Å; F150-Q336 VanDerWaalsContact CZ-CD 3.45Å; F150-Q336 HydrophobicContact CZ-CG 4.28Å; F150-Q336 VanDerWaalsContact CZ-NE2 3.31Å; F150-V338 HydrophobicContact CB-CG2 3.83Å; F150-V338 HydrophobicContact CD2-CG2 3.86Å; F150-V338 HydrophobicContact CG-CG2 4.34Å
151	G	96.9	Very high	96.2	Very high	25 Å²	25	38.8 Å²	38.8	26%	0.258	22%	0.222	S	C	.	.			trans	-96.7	106.9	178.7	0	0	0	0	0	112.9	G149 T153 Q154 Q336	G149-G151 PolarHBondContact O-N 3.43Å; G151-T153 VanDerWaalsContact C-N 3.33Å; G151-Q154 PolarHBondContact O-NE2 3.38Å; G151-Q336 WeakPolarHBondContact CA-O 3.4Å; G151-Q336 PolarHBondContact N-O 3.04Å; G151-Q336 PolarHBondContact O-NE2 2.88Å; G151-Q336 VanDerWaalsContact O-NE2 3.08Å
152	V	95.8	Very high	96.4	Very high	8 Å²	8	39 Å²	39	5%	0.048	22%	0.223	C	C	.	.			trans	-80.3	-8.3	177.4	-62	0	0	0	0	114.3	L141 E145 F150 V171 G172	L141-V152 HydrophobicContact CB-CG1 4.22Å; L141-V152 HydrophobicContact CD2-CB 4.17Å; L141-V152 HydrophobicContact CD2-CG1 4.03Å; E145-V152 HydrophobicContact CG-CG1 3.72Å; E145-V152 HydrophobicContact CG-CG2 4.41Å; E145-V152 WeakPolarHBondContact OE1-CG2 3.47Å; F150-V152 HydrophobicContact CD1-CG1 3.8Å; F150-V152 HydrophobicContact CE1-CG1 3.82Å; V152-V171 CarbonylContact O-C 3.46Å; V152-V171 WeakPolarHBondContact O-CA 3.2Å; V152-V171 WeakPolarHBondContact O-CB 3.45Å; V152-G172 PolarHBondContact O-N 3.44Å
153	T	94.1	Very high	96.5	Very high	95 Å²	95	38.7 Å²	38.7	58%	0.583	22%	0.221	S	C	*	.			trans	-108.1	119	177.4	-56.8	0	0	0	0	109.1	G151	G151-T153 VanDerWaalsContact C-N 3.33Å
154	Q	93.6	Very high	96.6	Very high	20 Å²	20	44.8 Å²	44.8	9%	0.093	25%	0.25	C	C	.	.			trans	-130.3	145.8	175.6	-56.9	-61.7	-29.7	0	0	108.9	G151 Q158 M159 I162 V171	G151-Q154 PolarHBondContact O-NE2 3.38Å; Q154-Q158 HydrophobicContact CB-CB 4.12Å; Q154-Q158 VanDerWaalsContact OE1-CD 3.31Å; Q154-M159 HydrophobicContact CB-CG 3.9Å; Q154-I162 HydrophobicContact CG-CD1 4.12Å; Q154-V171 HydrophobicContact CB-CG1 3.9Å; Q154-V171 HydrophobicContact CG-CG1 3.67Å
155	S	92.4	Very high	96.5	Very high	32 Å²	32	50 Å²	50	22%	0.224	27%	0.274	C	S	.	.			trans	-72.1	157.6	168	59.8	0	0	0	0	110.9	E157 Q158 M159	S155-E157 WeakPolarHBondContact CB-OE2 3.46Å; S155-E157 PolarHBondContact O-N 3.18Å; S155-Q158 PolarHBondContact O-N 3.34Å; S155-Q158 VanDerWaalsContact O-N 3.09Å; S155-Q158 VanDerWaalsContact OG-CD 3.31Å; S155-Q158 VanDerWaalsContact OG-CG 3.27Å; S155-Q158 WeakPolarHBondContact OG-CG 3.47Å; S155-Q158 PolarHBondContact OG-N 2.75Å; S155-Q158 PolarHBondContact OG-OE1 3.09Å; S155-M159 WeakPolarHBondContact O-CG 3.45Å; S155-M159 PolarHBondContact O-N 3.48Å
156	P	91.9	Very high	96.6	Very high	19 Å²	19	46.2 Å²	46.2	12%	0.123	26%	0.256	C	S	.	.	H	α-helix	trans	-50.1	-40.2	172.4	-30.5	38.1	0	0	0	113.5	L88 M159 L160 L177	L88-P156 HydrophobicContact CD2-CB 3.58Å; L88-P156 HydrophobicContact CD2-CG 3.86Å; P156-M159 PolarHBondContact O-N 3.22Å; P156-L160 PolarHBondContact O-N 3.06Å; P156-L177 HydrophobicContact CG-CD2 4.45Å
157	E	94.3	Very high	96.6	Very high	119 Å²	119	46.2 Å²	46.2	56%	0.556	26%	0.257	S	S	*	.	H	α-helix	trans	-66.8	-40	179.9	-59.7	76.2	-164.2	0	0	111.8	S155 L160 H161	S155-E157 WeakPolarHBondContact CB-OE2 3.46Å; S155-E157 PolarHBondContact O-N 3.18Å; E157-L160 PolarHBondContact O-N 2.89Å; E157-H161 PolarHBondContact O-N 3.03Å
158	Q	96	Very high	96.7	Very high	94 Å²	94	46.2 Å²	46.2	44%	0.439	26%	0.257	S	S	.	.	H	α-helix	trans	-66.5	-42.8	173.4	-73.8	165.6	-53.5	0	0	111.4	Q154 S155 L160 H161 I162	Q154-Q158 HydrophobicContact CB-CB 4.12Å; Q154-Q158 VanDerWaalsContact OE1-CD 3.31Å; S155-Q158 PolarHBondContact O-N 3.34Å; S155-Q158 VanDerWaalsContact O-N 3.09Å; S155-Q158 VanDerWaalsContact OG-CD 3.31Å; S155-Q158 VanDerWaalsContact OG-CG 3.27Å; S155-Q158 WeakPolarHBondContact OG-CG 3.47Å; S155-Q158 PolarHBondContact OG-N 2.75Å; S155-Q158 PolarHBondContact OG-OE1 3.09Å; Q158-L160 VanDerWaalsContact C-N 3.29Å; Q158-L160 PolarHBondContact O-N 2.79Å; Q158-H161 PolarHBondContact O-N 3.32Å; Q158-I162 VanDerWaalsContact O-CG1 3.23Å; Q158-I162 WeakPolarHBondContact O-CG1 3.45Å; Q158-I162 PolarHBondContact O-N 2.82Å
159	M	97.4	Very high	96.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59.6	-41	177	-67.9	178.4	70	0	0	111.7	L88 W90 P127 Q154 S155 P156 H161 I162 L163 V171 L177	L88-M159 HydrophobicContact CD1-CE 3.65Å; L88-M159 HydrophobicContact CD1-SD 4Å; L88-M159 HydrophobicContact CD2-SD 4.35Å; W90-M159 HydrophobicContact CH2-CB 3.98Å; W90-M159 HydrophobicContact CH2-CE 4.36Å; W90-M159 HydrophobicContact CZ3-CB 4.41Å; P127-M159 HydrophobicContact CB-CE 4.04Å; Q154-M159 HydrophobicContact CB-CG 3.9Å; S155-M159 WeakPolarHBondContact O-CG 3.45Å; S155-M159 PolarHBondContact O-N 3.48Å; P156-M159 PolarHBondContact O-N 3.22Å; M159-H161 PolarHBondContact O-N 3.2Å; M159-I162 PolarHBondContact O-N 2.98Å; M159-L163 WeakPolarHBondContact O-CB 3.32Å; M159-L163 WeakPolarHBondContact O-CG 3.42Å; M159-L163 PolarHBondContact O-N 3.21Å; M159-V171 HydrophobicContact CE-CG2 3.69Å; M159-V171 HydrophobicContact CG-CG1 4.37Å; M159-V171 HydrophobicContact SD-CG2 3.89Å; M159-L177 HydrophobicContact SD-CD1 3.89Å
160	L	97.1	Very high	96.7	Very high	65 Å²	65	40.7 Å²	40.7	34%	0.34	21%	0.211	S	C	.	.	H	α-helix	trans	-57.3	-48.6	174.7	178.5	68.4	0	0	0	111.6	W90 P91 W94 P156 E157 Q158 L163 E164	W90-L160 HydrophobicContact CE3-CD1 3.83Å; W90-L160 HydrophobicContact CZ3-CB 4.13Å; W90-L160 HydrophobicContact CZ3-CD1 4.26Å; P91-L160 HydrophobicContact CG-CD1 4.09Å; W94-L160 HydrophobicContact CH2-CD1 4.08Å; W94-L160 HydrophobicContact CZ3-CD1 3.86Å; P156-L160 PolarHBondContact O-N 3.06Å; E157-L160 PolarHBondContact O-N 2.89Å; Q158-L160 VanDerWaalsContact C-N 3.29Å; Q158-L160 PolarHBondContact O-N 2.79Å; L160-L163 PolarHBondContact O-N 3.2Å; L160-E164 PolarHBondContact O-N 3.4Å
161	H	97.8	Very high	96.6	Very high	115 Å²	115	40 Å²	40	53%	0.532	21%	0.209	S	C	.	.	H	α-helix	trans	-65	-44.1	179.7	-170.2	53.7	0	0	0	112.4	E157 Q158 M159 L163 E164 E165	E157-H161 PolarHBondContact O-N 3.03Å; Q158-H161 PolarHBondContact O-N 3.32Å; M159-H161 PolarHBondContact O-N 3.2Å; H161-L163 VanDerWaalsContact C-N 3.34Å; H161-L163 PolarHBondContact O-N 2.96Å; H161-E164 WeakPolarHBondContact O-CB 3.3Å; H161-E164 PolarHBondContact O-N 2.77Å; H161-E164 VanDerWaalsContact O-N 3.16Å; H161-E165 PolarHBondContact O-N 3.32Å; H161-E165 VanDerWaalsContact O-N 3.09Å
162	I	98.5	Very high	96.4	Very high	6 Å²	6	39.1 Å²	39.1	3%	0.031	20%	0.199	C	C	.	.	H	α-helix	trans	-62.7	-42.6	177.7	-62.1	164.3	0	0	0	110.4	Q154 Q158 M159 E164 E165 V166 G167 C168 C169 A335 Q336	Q154-I162 HydrophobicContact CG-CD1 4.12Å; Q158-I162 VanDerWaalsContact O-CG1 3.23Å; Q158-I162 WeakPolarHBondContact O-CG1 3.45Å; Q158-I162 PolarHBondContact O-N 2.82Å; M159-I162 PolarHBondContact O-N 2.98Å; I162-E164 VanDerWaalsContact C-N 3.31Å; I162-E164 PolarHBondContact O-N 3.08Å; I162-E165 PolarHBondContact O-N 3.38Å; I162-V166 HydrophobicContact CG2-CB 4.17Å; I162-V166 HydrophobicContact CG2-CG2 3.98Å; I162-V166 WeakPolarHBondContact O-CA 3.48Å; I162-V166 WeakPolarHBondContact O-CB 3.48Å; I162-V166 WeakPolarHBondContact O-CG2 3.27Å; I162-V166 PolarHBondContact O-N 3.31Å; I162-G167 PolarHBondContact O-N 2.93Å; I162-C168 WeakPolarHBondContact CG2-O 3.31Å; I162-C169 HydrophobicContact CB-CB 4.39Å; I162-C169 HydrophobicContact CG2-CB 3.75Å; I162-A335 HydrophobicContact CG1-CB 4.06Å; I162-A335 HydrophobicContact CG2-CB 4.03Å; I162-Q336 HydrophobicContact CD1-CG 4Å
163	L	98.6	Very high	96.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-64.7	-35	175.8	-77.8	-167.7	0	0	0	112.6	W90 W94 L98 K125 P127 M159 L160 H161 G167	W90-L163 HydrophobicContact CD2-CD1 4.36Å; W90-L163 HydrophobicContact CE3-CD1 4.02Å; W90-L163 HydrophobicContact CH2-CD1 3.79Å; W90-L163 HydrophobicContact CZ2-CD1 4.09Å; W90-L163 HydrophobicContact CZ3-CD1 3.76Å; W94-L163 HydrophobicContact CE3-CB 4.47Å; W94-L163 HydrophobicContact CH2-CB 4.15Å; W94-L163 HydrophobicContact CZ3-CB 3.65Å; W94-L163 HydrophobicContact CZ3-CD1 4.35Å; L98-L163 HydrophobicContact CD2-CD1 4.2Å; K125-L163 HydrophobicContact CB-CD1 4.32Å; K125-L163 WeakPolarHBondContact CD-O 3.38Å; K125-L163 WeakPolarHBondContact CE-O 3.37Å; K125-L163 PolarHBondContact NZ-O 2.82Å; P127-L163 HydrophobicContact CB-CD1 3.75Å; P127-L163 HydrophobicContact CG-CD1 4.25Å; M159-L163 WeakPolarHBondContact O-CB 3.32Å; M159-L163 WeakPolarHBondContact O-CG 3.42Å; M159-L163 PolarHBondContact O-N 3.21Å; L160-L163 PolarHBondContact O-N 3.2Å; H161-L163 VanDerWaalsContact C-N 3.34Å; H161-L163 PolarHBondContact O-N 2.96Å; L163-G167 WeakPolarHBondContact CD2-O 3.47Å; L163-G167 WeakPolarHBondContact O-CA 3.49Å; L163-G167 PolarHBondContact O-N 3.33Å
164	E	98.1	Very high	95.6	Very high	128 Å²	128	37.4 Å²	37.4	60%	0.598	19%	0.187	S	C	*	.	H	α-helix	trans	-61.6	-53.1	176.3	-169	164.3	-152.8	0	0	111.2	W94 K125 L160 H161 I162	W94-E164 HydrophobicContact CH2-CB 3.71Å; W94-E164 HydrophobicContact CH2-CG 4.33Å; W94-E164 HydrophobicContact CZ2-CB 3.94Å; W94-E164 HydrophobicContact CZ2-CG 4.07Å; K125-E164 PolarHBondContact NZ-O 3.37Å; L160-E164 PolarHBondContact O-N 3.4Å; H161-E164 WeakPolarHBondContact O-CB 3.3Å; H161-E164 PolarHBondContact O-N 2.77Å; H161-E164 VanDerWaalsContact O-N 3.16Å; I162-E164 VanDerWaalsContact C-N 3.31Å; I162-E164 PolarHBondContact O-N 3.08Å
165	E	97.2	Very high	95.2	Very high	109 Å²	109	41 Å²	41	51%	0.509	22%	0.221	S	C	.	.	H	α-helix	trans	-74.7	-49.2	-175.4	-175.2	-176.4	171.7	0	0	112.5	H161 I162 R328	H161-E165 PolarHBondContact O-N 3.32Å; H161-E165 VanDerWaalsContact O-N 3.09Å; I162-E165 PolarHBondContact O-N 3.38Å; E165-R328 PolarHBondContact O-NH1 2.73Å; E165-R328 VanDerWaalsContact O-NH1 3.17Å
166	V	98.4	Very high	95	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.006	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-42.7	-169.1	-173.2	0	0	0	0	111.3	I162 R328 L331 M332 A335	I162-V166 HydrophobicContact CG2-CB 4.17Å; I162-V166 HydrophobicContact CG2-CG2 3.98Å; I162-V166 WeakPolarHBondContact O-CA 3.48Å; I162-V166 WeakPolarHBondContact O-CB 3.48Å; I162-V166 WeakPolarHBondContact O-CG2 3.27Å; I162-V166 PolarHBondContact O-N 3.31Å; V166-R328 WeakPolarHBondContact CG1-O 3.33Å; V166-R328 WeakPolarHBondContact O-CD 3.38Å; V166-R328 PolarHBondContact O-NH1 3.02Å; V166-L331 HydrophobicContact CB-CB 4.44Å; V166-L331 HydrophobicContact CG1-CB 3.9Å; V166-L331 HydrophobicContact CG2-CB 3.98Å; V166-M332 HydrophobicContact CG1-CB 3.89Å; V166-A335 HydrophobicContact CG2-CB 3.8Å
167	G	98.7	Very high	94.8	Very high	3 Å²	3	43 Å²	43	3%	0.031	22%	0.223	C	C	.	.	S	Bend	trans	91.4	-7.7	-173	0	0	0	0	0	114.7	K125 V126 I162 L163	K125-G167 CarbonylContact C-O 3.57Å; K125-G167 VanDerWaalsContact CA-O 3.28Å; K125-G167 WeakPolarHBondContact CA-O 3.5Å; V126-G167 PolarHBondContact N-O 2.74Å; I162-G167 PolarHBondContact O-N 2.93Å; L163-G167 WeakPolarHBondContact CD2-O 3.47Å; L163-G167 WeakPolarHBondContact O-CA 3.49Å; L163-G167 PolarHBondContact O-N 3.33Å
168	C	98.9	Very high	94.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	153.5	171.2	59.7	0	0	0	0	111.6	A116 A120 V126 I162	A116-C168 HydrophobicContact CB-CB 4.31Å; A120-C168 HydrophobicContact CB-CB 3.91Å; V126-C168 HydrophobicContact CB-CB 3.84Å; V126-C168 HydrophobicContact CG2-CB 4.45Å; V126-C168 WeakPolarHBondContact O-CA 3.39Å; I162-C168 WeakPolarHBondContact CG2-O 3.31Å
169	C	98.7	Very high	94.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	156.7	166.4	62.4	0	0	0	0	109.4	V126 M128 I162	V126-C169 PolarHBondContact O-N 2.99Å; M128-C169 WeakPolarHBondContact CB-O 3.41Å; M128-C169 PolarHBondContact N-O 3.22Å; I162-C169 HydrophobicContact CB-CB 4.39Å; I162-C169 HydrophobicContact CG2-CB 3.75Å
170	I	98.6	Very high	94.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	113.1	173.3	-56.5	175.2	0	0	0	108.6	A116 M128 T140 L141 L144 M332 Q336	A116-I170 HydrophobicContact CB-CD1 4.12Å; A116-I170 HydrophobicContact CB-CG1 4.31Å; M128-I170 HydrophobicContact CB-CG1 4.23Å; M128-I170 WeakPolarHBondContact O-CA 3.36Å; M128-I170 HydrophobicContact SD-CD1 4.21Å; M128-I170 HydrophobicContact SD-CG1 4.03Å; M128-I170 HydrophobicContact SD-CG2 4.21Å; T140-I170 HydrophobicContact CG2-CD1 4.41Å; T140-I170 HydrophobicContact CG2-CG2 4.13Å; L141-I170 HydrophobicContact CD2-CG2 4.02Å; L144-I170 HydrophobicContact CD1-CB 3.64Å; L144-I170 HydrophobicContact CD1-CD1 3.92Å; L144-I170 HydrophobicContact CD1-CG1 4.36Å; L144-I170 HydrophobicContact CD1-CG2 3.51Å; I170-M332 HydrophobicContact CD1-CE 4.09Å; I170-M332 HydrophobicContact CD1-SD 4.29Å; I170-M332 HydrophobicContact CG1-CE 4.39Å; I170-M332 HydrophobicContact CG1-SD 4.03Å; I170-Q336 PolarHBondContact O-NE2 2.81Å
171	V	96.7	Very high	94.5	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.006	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	162	-174.2	-56.6	0	0	0	0	111.1	M128 I129 S130 V152 Q154 M159	M128-V171 PolarHBondContact O-N 2.77Å; I129-V171 CarbonylContact C-O 3.54Å; I129-V171 WeakPolarHBondContact CA-O 3.35Å; I129-V171 HydrophobicContact CG1-CG2 4.01Å; S130-V171 PolarHBondContact N-O 3.49Å; V152-V171 CarbonylContact O-C 3.46Å; V152-V171 WeakPolarHBondContact O-CA 3.2Å; V152-V171 WeakPolarHBondContact O-CB 3.45Å; Q154-V171 HydrophobicContact CB-CG1 3.9Å; Q154-V171 HydrophobicContact CG-CG1 3.67Å; M159-V171 HydrophobicContact CE-CG2 3.69Å; M159-V171 HydrophobicContact CG-CG1 4.37Å; M159-V171 HydrophobicContact SD-CG2 3.89Å
172	G	91.4	Very high	94.2	Very high	6 Å²	6	26.6 Å²	26.6	6%	0.062	15%	0.154	C	C	.	.			trans	-93.5	174.5	172.1	0	0	0	0	0	113.7	L141 V152	L141-G172 VanDerWaalsContact CD1-CA 3.4Å; V152-G172 PolarHBondContact O-N 3.44Å
173	Q	89	Confident	94	Very high	39 Å²	39	29.5 Å²	29.5	18%	0.182	17%	0.169	C	C	.	.			trans	-59.4	151.2	164.5	-54.7	96.6	-32.3	0	0	110.2	I129 S130 D181 K207	I129-Q173 HydrophobicContact CG2-CG 4.45Å; S130-Q173 PolarHBondContact O-OE1 3.48Å; Q173-D181 PolarHBondContact NE2-OD2 2.63Å; Q173-K207 HydrophobicContact CG-CD 4.07Å; Q173-K207 HydrophobicContact CG-CG 4.37Å
174	S	85.5	Confident	93.9	Very high	29 Å²	29	29.8 Å²	29.8	20%	0.203	17%	0.17	C	C	.	.			trans	-141.3	174.4	178.6	75.6	0	0	0	0	111	K176 L177	S174-K176 PolarHBondContact O-N 3.08Å; S174-K176 PolarHBondContact OG-N 2.74Å; S174-L177 PolarHBondContact N-O 2.66Å; S174-L177 PolarHBondContact O-N 2.81Å; S174-L177 PolarHBondContact OG-N 3.41Å
175	A	85.2	Confident	93.6	Very high	96 Å²	96	25.4 Å²	25.4	79%	0.793	15%	0.149	S	C	*	.	S	Bend	trans	-55.4	-22.2	172.3	0	0	0	0	0	113
176	K	87.7	Confident	93.2	Very high	91 Å²	91	22.4 Å²	22.4	40%	0.396	14%	0.142	S	C	.	.	S	Bend	trans	-98.6	-23.3	176.8	-65.4	-174.9	177.5	-175.5	0	113.6	G85 Q86 S174	G85-K176 CarbonylContact C-O 3.56Å; G85-K176 WeakPolarHBondContact CA-O 3.46Å; Q86-K176 HydrophobicContact CG-CB 4.44Å; Q86-K176 PolarHBondContact N-O 3.4Å; S174-K176 PolarHBondContact O-N 3.08Å; S174-K176 PolarHBondContact OG-N 2.74Å
177	L	88.4	Confident	92.9	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	15%	0.15	C	C	.	.	S	Bend	trans	-120.5	104.9	-170.6	-61.5	176.7	0	0	0	110.5	L88 I129 P156 M159 S174	L88-L177 HydrophobicContact CD2-CD2 3.83Å; L88-L177 HydrophobicContact CG-CD2 4.07Å; I129-L177 HydrophobicContact CD1-CB 4.5Å; I129-L177 HydrophobicContact CD1-CD1 4.32Å; P156-L177 HydrophobicContact CG-CD2 4.45Å; M159-L177 HydrophobicContact SD-CD1 3.89Å; S174-L177 PolarHBondContact N-O 2.66Å; S174-L177 PolarHBondContact O-N 2.81Å; S174-L177 PolarHBondContact OG-N 3.41Å
178	V	91.8	Very high	92.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	51.2	50.7	179.9	-152	0	0	0	0	113.6	L81 A180 D181 G182 K207 V210	L81-V178 HydrophobicContact CB-CG1 4.45Å; L81-V178 WeakPolarHBondContact O-CG1 3.45Å; V178-A180 PolarHBondContact O-N 3.19Å; V178-D181 HydrophobicContact CB-CB 4.2Å; V178-D181 HydrophobicContact CG1-CB 3.39Å; V178-D181 PolarHBondContact O-N 3.19Å; V178-D181 VanDerWaalsContact O-N 3.15Å; V178-G182 PolarHBondContact O-N 2.87Å; V178-K207 HydrophobicContact CG2-CG 4.37Å; V178-V210 HydrophobicContact CG2-CB 4.22Å; V178-V210 HydrophobicContact CG2-CG1 3.66Å; V178-V210 HydrophobicContact CG2-CG2 3.46Å; V178-V210 VanDerWaalsContact CG2-CG2 3.46Å
179	P	94.2	Very high	92	Very high	22 Å²	22	25.1 Å²	25.1	14%	0.143	16%	0.158	C	C	.	.	H	α-helix	trans	-59.2	-32.8	-174	22.2	-32.7	0	0	0	113.5	I48 S84 G182 I183	I48-P179 HydrophobicContact CD1-CB 3.67Å; I48-P179 HydrophobicContact CD1-CG 3.64Å; S84-P179 WeakPolarHBondContact O-CG 3.4Å; S84-P179 WeakPolarHBondContact OG-CD 3.34Å; P179-G182 PolarHBondContact O-N 2.79Å; P179-I183 PolarHBondContact O-N 3.43Å
180	A	96.4	Very high	91.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-69	-38.5	-178.9	0	0	0	0	0	111.3	V44 I48 L81 S84 V178 G182 I183 L184	V44-A180 HydrophobicContact CG1-CB 3.75Å; I48-A180 VanDerWaalsContact CD1-CA 3.46Å; I48-A180 HydrophobicContact CD1-CB 3.58Å; I48-A180 HydrophobicContact CG1-CB 3.94Å; L81-A180 HydrophobicContact CD2-CB 3.49Å; L81-A180 VanDerWaalsContact CD2-CB 3.49Å; S84-A180 WeakPolarHBondContact OG-CB 3.44Å; S84-A180 PolarHBondContact OG-N 3.04Å; V178-A180 PolarHBondContact O-N 3.19Å; A180-G182 VanDerWaalsContact C-N 3.31Å; A180-I183 PolarHBondContact O-N 2.89Å; A180-L184 WeakPolarHBondContact O-CG 3.38Å; A180-L184 PolarHBondContact O-N 3.29Å
181	D	95.6	Very high	91	Very high	2 Å²	2	31 Å²	31	1%	0.011	19%	0.194	C	C	.	.	H	α-helix	trans	-61.1	-43.6	172.8	178.2	62.7	0	0	0	110.2	Q173 V178 I183 L184 Y185 S203 K207	Q173-D181 PolarHBondContact NE2-OD2 2.63Å; V178-D181 HydrophobicContact CB-CB 4.2Å; V178-D181 HydrophobicContact CG1-CB 3.39Å; V178-D181 PolarHBondContact O-N 3.19Å; V178-D181 VanDerWaalsContact O-N 3.15Å; D181-I183 VanDerWaalsContact C-N 3.3Å; D181-I183 PolarHBondContact O-N 3.4Å; D181-L184 PolarHBondContact O-N 3Å; D181-Y185 WeakPolarHBondContact O-CA 3.45Å; D181-Y185 WeakPolarHBondContact O-CB 3.49Å; D181-Y185 PolarHBondContact O-N 2.91Å; D181-S203 WeakPolarHBondContact OD1-CA 3.23Å; D181-S203 WeakPolarHBondContact OD1-CB 3.45Å; D181-S203 PolarHBondContact OD1-OG 3.44Å; D181-S203 PolarHBondContact OD2-OG 3.09Å; D181-K207 IonicContact OD1-NZ 2.71Å; D181-K207 IonicContact OD2-NZ 3.9Å; D181-K207 PolarHBondContact OD2-NZ 3.29Å
182	G	91.5	Very high	90.8	Very high	25 Å²	25	34.5 Å²	34.5	26%	0.258	22%	0.223	S	C	.	.	H	α-helix	trans	-53.6	-45.7	177.6	0	0	0	0	0	113.1	V178 P179 A180 A186	V178-G182 PolarHBondContact O-N 2.87Å; P179-G182 PolarHBondContact O-N 2.79Å; A180-G182 VanDerWaalsContact C-N 3.31Å; G182-A186 PolarHBondContact O-N 3.49Å; G182-A186 VanDerWaalsContact O-N 3.16Å
183	I	94.2	Very high	91	Very high	66 Å²	66	34.2 Å²	34.2	34%	0.338	22%	0.22	S	C	.	.	H	α-helix	trans	-67.1	-50.2	178.5	-61	165.7	0	0	0	110.9	V47 I48 I57 P179 A180 D181 Y185 A186 A187	V47-I183 HydrophobicContact CG1-CB 3.82Å; V47-I183 HydrophobicContact CG1-CD1 3.83Å; V47-I183 HydrophobicContact CG1-CG1 4.44Å; V47-I183 HydrophobicContact CG1-CG2 3.67Å; V47-I183 WeakPolarHBondContact O-CD1 3.43Å; I48-I183 HydrophobicContact CD1-CD1 4.47Å; I57-I183 HydrophobicContact CD1-CG2 3.97Å; P179-I183 PolarHBondContact O-N 3.43Å; A180-I183 PolarHBondContact O-N 2.89Å; D181-I183 VanDerWaalsContact C-N 3.3Å; D181-I183 PolarHBondContact O-N 3.4Å; I183-Y185 VanDerWaalsContact C-N 3.31Å; I183-Y185 PolarHBondContact O-N 3.43Å; I183-A186 PolarHBondContact O-N 3.03Å; I183-A187 PolarHBondContact O-N 3.46Å
184	L	95.6	Very high	91.1	Very high	7 Å²	7	33.2 Å²	33.2	4%	0.037	22%	0.217	C	C	.	.	H	α-helix	trans	-65.1	-34.8	179.9	-65.2	-177.4	0	0	0	112.3	F43 V47 I57 L61 L81 A180 D181 A187 R188	F43-L184 HydrophobicContact CE1-CD1 4.5Å; F43-L184 HydrophobicContact CE1-CD2 4.24Å; F43-L184 HydrophobicContact CZ-CD2 4.13Å; V47-L184 HydrophobicContact CG1-CD2 4.46Å; V47-L184 HydrophobicContact CG2-CD2 4.32Å; I57-L184 HydrophobicContact CG2-CD2 3.67Å; L61-L184 HydrophobicContact CD2-CD2 4.22Å; L81-L184 HydrophobicContact CD1-CD1 4.41Å; L81-L184 HydrophobicContact CD2-CD1 3.77Å; A180-L184 WeakPolarHBondContact O-CG 3.38Å; A180-L184 PolarHBondContact O-N 3.29Å; D181-L184 PolarHBondContact O-N 3Å; L184-A187 PolarHBondContact O-N 3.27Å; L184-R188 WeakPolarHBondContact O-CB 3.42Å; L184-R188 WeakPolarHBondContact O-CD 3.49Å; L184-R188 WeakPolarHBondContact O-CG 3.29Å; L184-R188 PolarHBondContact O-N 3.08Å
185	Y	92.1	Very high	91.5	Very high	36 Å²	36	34.7 Å²	34.7	14%	0.141	22%	0.222	C	C	.	.	H	α-helix	trans	-65.5	-47	179.2	-166.7	-80.3	0	0	0	110.8	R132 L134 D181 I183 A187 R188 D189 S203	R132-Y185 PolarHBondContact O-OH 3.35Å; L134-Y185 HydrophobicContact CB-CE1 4Å; L134-Y185 WeakPolarHBondContact CB-OH 3.48Å; L134-Y185 HydrophobicContact CD1-CD1 4.07Å; L134-Y185 HydrophobicContact CD1-CE1 3.71Å; L134-Y185 HydrophobicContact CD2-CE1 4.28Å; L134-Y185 HydrophobicContact CD2-CE2 3.87Å; L134-Y185 HydrophobicContact CG-CE1 4.21Å; D181-Y185 WeakPolarHBondContact O-CA 3.45Å; D181-Y185 WeakPolarHBondContact O-CB 3.49Å; D181-Y185 PolarHBondContact O-N 2.91Å; I183-Y185 VanDerWaalsContact C-N 3.31Å; I183-Y185 PolarHBondContact O-N 3.43Å; Y185-A187 VanDerWaalsContact C-N 3.33Å; Y185-A187 PolarHBondContact O-N 3.49Å; Y185-R188 PolarHBondContact O-N 2.9Å; Y185-D189 PolarHBondContact O-N 2.84Å; Y185-S203 WeakPolarHBondContact CD2-OG 3.35Å
186	A	88.8	Confident	92	Very high	46 Å²	46	30.3 Å²	30.3	38%	0.38	19%	0.186	S	C	.	.	H	α-helix	trans	-62.1	-40.5	175.2	0	0	0	0	0	112	G182 I183	G182-A186 PolarHBondContact O-N 3.49Å; G182-A186 VanDerWaalsContact O-N 3.16Å; I183-A186 PolarHBondContact O-N 3.03Å
187	A	92.5	Very high	92.5	Very high	19 Å²	19	27.6 Å²	27.6	16%	0.157	18%	0.177	C	C	.	.	H	α-helix	trans	-64.9	-48.1	175.4	0	0	0	0	0	111.6	I57 L61 I183 L184 Y185 D189 V190 T191	I57-A187 HydrophobicContact CG2-CB 3.95Å; L61-A187 HydrophobicContact CD1-CB 3.64Å; I183-A187 PolarHBondContact O-N 3.46Å; L184-A187 PolarHBondContact O-N 3.27Å; Y185-A187 VanDerWaalsContact C-N 3.33Å; Y185-A187 PolarHBondContact O-N 3.49Å; A187-D189 PolarHBondContact O-N 3.15Å; A187-V190 WeakPolarHBondContact O-CG2 3.42Å; A187-V190 PolarHBondContact O-N 2.83Å; A187-T191 WeakPolarHBondContact O-CG2 3.42Å; A187-T191 PolarHBondContact O-N 2.93Å; A187-T191 PolarHBondContact O-OG1 3.08Å
188	R	92.9	Very high	92.9	Very high	7 Å²	7	28 Å²	28	3%	0.026	18%	0.179	C	C	.	.	H	α-helix	trans	-54.5	-38.4	-178.7	-78.5	166.3	62.8	-123.4	-1.5	113.2	L61 L184 Y185 V190 T193 V194 L199	L61-R188 HydrophobicContact CD1-CG 4.01Å; L61-R188 HydrophobicContact CD2-CG 3.93Å; L184-R188 WeakPolarHBondContact O-CB 3.42Å; L184-R188 WeakPolarHBondContact O-CD 3.49Å; L184-R188 WeakPolarHBondContact O-CG 3.29Å; L184-R188 PolarHBondContact O-N 3.08Å; Y185-R188 PolarHBondContact O-N 2.9Å; R188-V190 VanDerWaalsContact C-N 3.28Å; R188-V190 PolarHBondContact O-N 3Å; R188-T193 WeakPolarHBondContact CA-OG1 3.38Å; R188-T193 PolarHBondContact O-N 3.41Å; R188-V194 HydrophobicContact CB-CG2 4.37Å; R188-V194 PolarHBondContact NH2-O 2.75Å; R188-V194 WeakPolarHBondContact O-CG2 3.35Å; R188-L199 HydrophobicContact CG-CD1 4.35Å
189	D	85.8	Confident	93.2	Very high	34 Å²	34	28.3 Å²	28.3	18%	0.182	18%	0.181	C	C	.	.	H	α-helix	trans	-57.6	-39.8	179.4	-168.2	34.3	0	0	0	112.4	L134 G135 Y185 A187	L134-D189 HydrophobicContact CD1-CB 3.7Å; G135-D189 PolarHBondContact N-OD1 2.93Å; Y185-D189 PolarHBondContact O-N 2.84Å; A187-D189 PolarHBondContact O-N 3.15Å
190	V	85	Confident	93.4	Very high	78 Å²	78	27.7 Å²	27.7	47%	0.473	18%	0.177	S	C	.	.	H	α-helix	trans	-105.8	-2	-173.6	-59.6	0	0	0	0	114	A187 R188	A187-V190 WeakPolarHBondContact O-CG2 3.42Å; A187-V190 PolarHBondContact O-N 2.83Å; R188-V190 VanDerWaalsContact C-N 3.28Å; R188-V190 PolarHBondContact O-N 3Å
191	T	91	Very high	93.4	Very high	45 Å²	45	27.7 Å²	27.7	28%	0.276	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	7.9	179.2	56.9	0	0	0	0	114.2	A187 T193	A187-T191 WeakPolarHBondContact O-CG2 3.42Å; A187-T191 PolarHBondContact O-N 2.93Å; A187-T191 PolarHBondContact O-OG1 3.08Å; T191-T193 PolarHBondContact O-N 2.77Å; T191-T193 PolarHBondContact OG1-OG1 3.06Å
192	A	92.2	Very high	93.5	Very high	76 Å²	76	27.6 Å²	27.6	63%	0.628	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.1	38.6	-175.9	0	0	0	0	0	113.2
193	T	95.5	Very high	93.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	17%	0.165	C	C	.	.			trans	-120.1	22.5	179.8	56.2	0	0	0	0	112.3	L61 M62 R65 R188 T191	L61-T193 HydrophobicContact CB-CG2 4.1Å; M62-T193 HydrophobicContact CB-CG2 4.36Å; M62-T193 HydrophobicContact CE-CG2 3.82Å; M62-T193 HydrophobicContact SD-CG2 4.36Å; R65-T193 HydrophobicContact CB-CG2 3.98Å; R65-T193 HydrophobicContact CG-CG2 4.43Å; R188-T193 WeakPolarHBondContact CA-OG1 3.38Å; R188-T193 PolarHBondContact O-N 3.41Å; T191-T193 PolarHBondContact O-N 2.77Å; T191-T193 PolarHBondContact OG1-OG1 3.06Å
194	V	92.1	Very high	93.9	Very high	18 Å²	18	23.8 Å²	23.8	11%	0.109	15%	0.151	C	C	.	.			trans	-65.8	-52.4	178.3	172.4	0	0	0	0	111.2	L134 R188 S196 I200 V227	L134-V194 HydrophobicContact CD1-CG2 3.72Å; L134-V194 HydrophobicContact CD2-CG1 3.6Å; L134-V194 HydrophobicContact CD2-CG2 4.22Å; L134-V194 HydrophobicContact CG-CG1 3.88Å; L134-V194 HydrophobicContact CG-CG2 3.81Å; R188-V194 HydrophobicContact CB-CG2 4.37Å; R188-V194 PolarHBondContact NH2-O 2.75Å; R188-V194 WeakPolarHBondContact O-CG2 3.35Å; V194-S196 PolarHBondContact O-N 3.24Å; V194-I200 WeakPolarHBondContact O-CD1 3.43Å; V194-I200 VanDerWaalsContact O-CG1 3.27Å; V194-I200 WeakPolarHBondContact O-CG1 3.42Å; V194-V227 HydrophobicContact CG1-CG1 4.31Å
195	D	93.1	Very high	93.9	Very high	59 Å²	59	23.4 Å²	23.4	32%	0.316	15%	0.149	S	C	.	.	S	Bend	trans	-77.6	43.4	-170.6	46.6	-38	0	0	0	113.8	R65 V227 F228	R65-D195 IonicContact CZ-OD1 2.78Å; R65-D195 IonicContact CZ-OD2 3.14Å; R65-D195 VanDerWaalsContact CZ-OD2 3.26Å; R65-D195 PolarHBondContact NE-O 2.66Å; R65-D195 PolarHBondContact NH1-O 2.73Å; R65-D195 IonicContact NH1-OD1 3.23Å; R65-D195 PolarHBondContact NH1-OD1 2.77Å; R65-D195 IonicContact NH1-OD2 3.38Å; R65-D195 PolarHBondContact NH1-OD2 2.97Å; R65-D195 VanDerWaalsContact NH1-OD2 3.07Å; R65-D195 PolarHBondContact NH2-O 2.65Å; R65-D195 IonicContact NH2-OD1 3.73Å; R65-D195 IonicContact NH2-OD2 3.53Å; R65-D195 PolarHBondContact NH2-OD2 2.93Å; D195-V227 HydrophobicContact CB-CG1 3.58Å; D195-F228 HydrophobicContact CB-CE1 4.15Å; D195-F228 HydrophobicContact CB-CZ 4.34Å; D195-F228 WeakPolarHBondContact O-CE1 3.36Å; D195-F228 VanDerWaalsContact O-CZ 3.29Å; D195-F228 WeakPolarHBondContact O-CZ 3.49Å
196	S	96.3	Very high	94.1	Very high	4 Å²	4	21.7 Å²	21.7	3%	0.028	14%	0.142	C	C	.	.			trans	-105.8	118.2	171.8	177.6	0	0	0	0	110.2	V194 P198 L199 I200	V194-S196 PolarHBondContact O-N 3.24Å; S196-P198 WeakPolarHBondContact OG-CD 3.5Å; S196-P198 WeakPolarHBondContact OG-CG 3.38Å; S196-L199 PolarHBondContact O-N 3.23Å; S196-I200 WeakPolarHBondContact O-CB 3.1Å; S196-I200 VanDerWaalsContact O-CG1 3.27Å; S196-I200 WeakPolarHBondContact O-CG1 3.44Å; S196-I200 PolarHBondContact O-N 2.84Å
197	V	97.1	Very high	94.4	Very high	34 Å²	34	19.6 Å²	19.6	21%	0.206	12%	0.124	C	C	.	.	H	α-helix	trans	-48.7	-54.4	177.2	174.1	0	0	0	0	112.3	L199 I200 T201 F228 L237 M240	V197-L199 PolarHBondContact O-N 3.35Å; V197-I200 PolarHBondContact O-N 2.89Å; V197-T201 WeakPolarHBondContact O-CB 3.46Å; V197-T201 PolarHBondContact O-N 3.4Å; V197-T201 PolarHBondContact O-OG1 3.41Å; V197-T201 VanDerWaalsContact O-OG1 3.06Å; V197-F228 HydrophobicContact CG2-CE2 3.97Å; V197-F228 HydrophobicContact CG2-CZ 3.72Å; V197-L237 HydrophobicContact CG1-CD1 4.08Å; V197-M240 HydrophobicContact CG1-CB 4Å; V197-M240 HydrophobicContact CG1-CG 3.95Å
198	P	97.8	Very high	94.5	Very high	9 Å²	9	18.7 Å²	18.7	6%	0.058	12%	0.117	C	C	.	.	H	α-helix	trans	-65.3	-35.5	-178.3	26.1	-36.9	0	0	0	113.5	I64 M69 T74 S196 A202	I64-P198 HydrophobicContact CG2-CG 3.98Å; M69-P198 HydrophobicContact CB-CB 3.71Å; M69-P198 HydrophobicContact CB-CG 4Å; M69-P198 HydrophobicContact CG-CB 4.32Å; M69-P198 HydrophobicContact CG-CG 4.42Å; M69-P198 HydrophobicContact SD-CB 4.23Å; T74-P198 HydrophobicContact CG2-CB 4.04Å; T74-P198 WeakPolarHBondContact OG1-CB 3.31Å; S196-P198 WeakPolarHBondContact OG-CD 3.5Å; S196-P198 WeakPolarHBondContact OG-CG 3.38Å; P198-A202 VanDerWaalsContact O-CB 3.24Å; P198-A202 WeakPolarHBondContact O-CB 3.43Å; P198-A202 PolarHBondContact O-N 2.91Å
199	L	98	Very high	94.6	Very high	7 Å²	7	19.3 Å²	19.3	4%	0.037	12%	0.123	C	C	.	.	H	α-helix	trans	-71.4	-37.6	177.6	-61.5	176.8	0	0	0	111.8	L61 I64 L77 R188 S196 V197 S203	L61-L199 HydrophobicContact CD2-CD1 3.74Å; L61-L199 HydrophobicContact CD2-CD2 3.95Å; I64-L199 HydrophobicContact CB-CD2 4.49Å; I64-L199 HydrophobicContact CD1-CD2 4.11Å; I64-L199 HydrophobicContact CG2-CD1 4.2Å; I64-L199 HydrophobicContact CG2-CD2 3.84Å; I64-L199 HydrophobicContact CG2-CG 3.79Å; L77-L199 HydrophobicContact CD2-CD2 4.12Å; R188-L199 HydrophobicContact CG-CD1 4.35Å; S196-L199 PolarHBondContact O-N 3.23Å; V197-L199 PolarHBondContact O-N 3.35Å; L199-S203 WeakPolarHBondContact O-CB 3.35Å; L199-S203 PolarHBondContact O-N 3.18Å
200	I	96.9	Very high	95	Very high	9 Å²	9	17.7 Å²	17.7	5%	0.046	12%	0.115	C	C	.	.	H	α-helix	trans	-65.4	-48.8	174.5	-67.4	162.4	0	0	0	109.6	T104 V194 S196 V197 A202 S203 I204 V227 F228 L237	T104-I200 HydrophobicContact CG2-CG2 4.44Å; V194-I200 WeakPolarHBondContact O-CD1 3.43Å; V194-I200 VanDerWaalsContact O-CG1 3.27Å; V194-I200 WeakPolarHBondContact O-CG1 3.42Å; S196-I200 WeakPolarHBondContact O-CB 3.1Å; S196-I200 VanDerWaalsContact O-CG1 3.27Å; S196-I200 WeakPolarHBondContact O-CG1 3.44Å; S196-I200 PolarHBondContact O-N 2.84Å; V197-I200 PolarHBondContact O-N 2.89Å; I200-A202 PolarHBondContact O-N 3.44Å; I200-S203 PolarHBondContact O-N 3.16Å; I200-I204 HydrophobicContact CG2-CD1 3.64Å; I200-I204 HydrophobicContact CG2-CG1 4.31Å; I200-I204 WeakPolarHBondContact O-CB 3.48Å; I200-I204 VanDerWaalsContact O-CG1 3.31Å; I200-I204 WeakPolarHBondContact O-CG1 3.36Å; I200-I204 PolarHBondContact O-N 3.24Å; I200-V227 HydrophobicContact CD1-CG1 3.79Å; I200-F228 HydrophobicContact CD1-CD2 4.49Å; I200-F228 HydrophobicContact CD1-CE2 3.53Å; I200-F228 HydrophobicContact CD1-CZ 3.98Å; I200-L237 HydrophobicContact CB-CD1 4.19Å; I200-L237 HydrophobicContact CD1-CD2 4.49Å; I200-L237 HydrophobicContact CG2-CD1 3.87Å; I200-L237 HydrophobicContact CG2-CD2 3.98Å
201	T	98	Very high	95.5	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-57.5	-51.5	177.7	-63	0	0	0	0	111.1	T74 V197 S203 I204 L205 M240 L241 V244	T74-T201 HydrophobicContact CG2-CG2 3.77Å; V197-T201 WeakPolarHBondContact O-CB 3.46Å; V197-T201 PolarHBondContact O-N 3.4Å; V197-T201 PolarHBondContact O-OG1 3.41Å; V197-T201 VanDerWaalsContact O-OG1 3.06Å; T201-S203 PolarHBondContact O-N 3.01Å; T201-I204 PolarHBondContact O-N 3.08Å; T201-L205 HydrophobicContact CG2-CD1 3.68Å; T201-L205 HydrophobicContact CG2-CG 4.43Å; T201-L205 WeakPolarHBondContact O-CB 3.43Å; T201-L205 WeakPolarHBondContact O-CG 3.34Å; T201-L205 PolarHBondContact O-N 3.31Å; T201-M240 HydrophobicContact CG2-CG 4.1Å; T201-M240 WeakPolarHBondContact OG1-CG 3.31Å; T201-L241 HydrophobicContact CG2-CD2 4.25Å; T201-V244 HydrophobicContact CG2-CB 3.79Å; T201-V244 HydrophobicContact CG2-CG1 4.05Å; T201-V244 HydrophobicContact CG2-CG2 3.84Å
202	A	97.7	Very high	95.6	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-64.6	-40.2	-179.5	0	0	0	0	0	112.8	L77 T78 L81 P198 I200 S206	L77-A202 HydrophobicContact CB-CB 4.28Å; L77-A202 HydrophobicContact CD2-CB 3.75Å; L77-A202 HydrophobicContact CG-CB 3.78Å; T78-A202 VanDerWaalsContact OG1-CA 3.27Å; T78-A202 WeakPolarHBondContact OG1-CA 3.46Å; L81-A202 HydrophobicContact CD1-CB 4.01Å; P198-A202 VanDerWaalsContact O-CB 3.24Å; P198-A202 WeakPolarHBondContact O-CB 3.43Å; P198-A202 PolarHBondContact O-N 2.91Å; I200-A202 PolarHBondContact O-N 3.44Å; A202-S206 WeakPolarHBondContact O-CB 3.41Å; A202-S206 PolarHBondContact O-N 3.49Å; A202-S206 PolarHBondContact O-OG 2.65Å
203	S	96.3	Very high	95.7	Very high	4 Å²	4	10.5 Å²	10.5	3%	0.028	7%	0.07	C	C	.	.	H	α-helix	trans	-63.7	-50.4	177.6	-176.2	0	0	0	0	111.5	D181 Y185 L199 I200 T201 S206 K207	D181-S203 WeakPolarHBondContact OD1-CA 3.23Å; D181-S203 WeakPolarHBondContact OD1-CB 3.45Å; D181-S203 PolarHBondContact OD1-OG 3.44Å; D181-S203 PolarHBondContact OD2-OG 3.09Å; Y185-S203 WeakPolarHBondContact CD2-OG 3.35Å; L199-S203 WeakPolarHBondContact O-CB 3.35Å; L199-S203 PolarHBondContact O-N 3.18Å; I200-S203 PolarHBondContact O-N 3.16Å; T201-S203 PolarHBondContact O-N 3.01Å; S203-S206 PolarHBondContact O-OG 2.79Å; S203-K207 VanDerWaalsContact C-NZ 3.34Å; S203-K207 PolarHBondContact O-NZ 3.39Å; S203-K207 PolarHBondContact OG-NZ 3.44Å
204	I	96.3	Very high	95.7	Very high	7 Å²	7	11.2 Å²	11.2	4%	0.036	8%	0.075	C	C	.	.	H	α-helix	trans	-64.2	-55.8	-177.8	-67.6	177.4	0	0	0	109.8	H102 T104 I200 T201 S206 K207 K208 V218 L241	H102-I204 HydrophobicContact CB-CG2 4.01Å; T104-I204 HydrophobicContact CG2-CD1 4.05Å; I200-I204 HydrophobicContact CG2-CD1 3.64Å; I200-I204 HydrophobicContact CG2-CG1 4.31Å; I200-I204 WeakPolarHBondContact O-CB 3.48Å; I200-I204 VanDerWaalsContact O-CG1 3.31Å; I200-I204 WeakPolarHBondContact O-CG1 3.36Å; I200-I204 PolarHBondContact O-N 3.24Å; T201-I204 PolarHBondContact O-N 3.08Å; I204-S206 VanDerWaalsContact C-N 3.33Å; I204-S206 PolarHBondContact O-N 3.03Å; I204-K207 PolarHBondContact O-N 3.24Å; I204-K208 HydrophobicContact CG2-CG 4.4Å; I204-K208 WeakPolarHBondContact O-CG 3.22Å; I204-K208 PolarHBondContact O-N 3.4Å; I204-V218 HydrophobicContact CD1-CG1 4.3Å; I204-V218 HydrophobicContact CG2-CG1 4.4Å; I204-V218 HydrophobicContact CG2-CG2 4.38Å; I204-L241 HydrophobicContact CB-CD2 4.16Å; I204-L241 HydrophobicContact CD1-CD2 4.3Å; I204-L241 HydrophobicContact CG2-CD2 4.19Å
205	L	97.2	Very high	95.8	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-70.8	-27.5	-171.3	-68.3	179.1	0	0	0	113.1	T78 T201 K208 A209 L216 L241 V244 L248 V252	T78-L205 HydrophobicContact CG2-CB 3.5Å; T78-L205 VanDerWaalsContact CG2-CB 3.5Å; T201-L205 HydrophobicContact CG2-CD1 3.68Å; T201-L205 HydrophobicContact CG2-CG 4.43Å; T201-L205 WeakPolarHBondContact O-CB 3.43Å; T201-L205 WeakPolarHBondContact O-CG 3.34Å; T201-L205 PolarHBondContact O-N 3.31Å; L205-K208 PolarHBondContact O-N 2.91Å; L205-A209 WeakPolarHBondContact O-CB 3.49Å; L205-A209 PolarHBondContact O-N 3.09Å; L205-L216 HydrophobicContact CD2-CD2 3.83Å; L205-L241 HydrophobicContact CD1-CD2 4.44Å; L205-L241 WeakPolarHBondContact CD1-O 3.41Å; L205-L241 HydrophobicContact CD2-CD2 4.43Å; L205-L241 HydrophobicContact CG-CD2 4.07Å; L205-V244 HydrophobicContact CD1-CB 3.6Å; L205-V244 HydrophobicContact CD1-CG1 3.51Å; L205-L248 HydrophobicContact CB-CD1 4.11Å; L205-L248 HydrophobicContact CD1-CD1 4.5Å; L205-V252 HydrophobicContact CD2-CG2 4.31Å
206	S	95.5	Very high	96.1	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-63.9	-42.1	174.6	56.9	0	0	0	0	112.1	A202 S203 I204 V210	A202-S206 WeakPolarHBondContact O-CB 3.41Å; A202-S206 PolarHBondContact O-N 3.49Å; A202-S206 PolarHBondContact O-OG 2.65Å; S203-S206 PolarHBondContact O-OG 2.79Å; I204-S206 VanDerWaalsContact C-N 3.33Å; I204-S206 PolarHBondContact O-N 3.03Å; S206-V210 PolarHBondContact O-N 2.81Å
207	K	94.7	Very high	96.2	Very high	1 Å²	1	7.4 Å²	7.4	0%	0.004	5%	0.054	C	C	.	.	H	α-helix	trans	-59.7	-46.6	170.7	-74.7	-176.4	-74.2	-62	0	112.4	I129 Q173 V178 D181 S203 I204 A209 V210 E211	I129-K207 HydrophobicContact CB-CB 4.42Å; I129-K207 HydrophobicContact CG2-CB 4.39Å; I129-K207 HydrophobicContact CG2-CD 3.96Å; I129-K207 HydrophobicContact CG2-CG 4.07Å; Q173-K207 HydrophobicContact CG-CD 4.07Å; Q173-K207 HydrophobicContact CG-CG 4.37Å; V178-K207 HydrophobicContact CG2-CG 4.37Å; D181-K207 IonicContact OD1-NZ 2.71Å; D181-K207 IonicContact OD2-NZ 3.9Å; D181-K207 PolarHBondContact OD2-NZ 3.29Å; S203-K207 VanDerWaalsContact C-NZ 3.34Å; S203-K207 PolarHBondContact O-NZ 3.39Å; S203-K207 PolarHBondContact OG-NZ 3.44Å; I204-K207 PolarHBondContact O-N 3.24Å; K207-A209 VanDerWaalsContact C-N 3.35Å; K207-A209 PolarHBondContact O-N 3.15Å; K207-V210 WeakPolarHBondContact O-CG2 3.4Å; K207-V210 PolarHBondContact O-N 3.08Å; K207-E211 WeakPolarHBondContact O-CG 3.49Å
208	K	96.2	Very high	96.2	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-73.6	-27.3	-176.5	-54.8	-59.3	128.5	-166.8	0	113.3	D100 H102 I129 I204 L205 E211 L213 L216	D100-K208 HydrophobicContact CB-CD 4.47Å; D100-K208 WeakPolarHBondContact OD2-CD 3.26Å; D100-K208 WeakPolarHBondContact OD2-CE 3.29Å; D100-K208 IonicContact OD2-NZ 3.24Å; D100-K208 PolarHBondContact OD2-NZ 3.06Å; H102-K208 HydrophobicContact CB-CD 4.32Å; H102-K208 WeakPolarHBondContact ND1-CE 3.29Å; H102-K208 PolarHBondContact ND1-NZ 3.01Å; I129-K208 PolarHBondContact O-NZ 3.13Å; I204-K208 HydrophobicContact CG2-CG 4.4Å; I204-K208 WeakPolarHBondContact O-CG 3.22Å; I204-K208 PolarHBondContact O-N 3.4Å; L205-K208 PolarHBondContact O-N 2.91Å; K208-E211 WeakPolarHBondContact CE-OE1 3.47Å; K208-E211 IonicContact NZ-OE1 2.66Å; K208-E211 PolarHBondContact NZ-OE1 3.47Å; K208-E211 IonicContact NZ-OE2 2.91Å; K208-E211 PolarHBondContact NZ-OE2 2.96Å; K208-E211 PolarHBondContact O-N 2.81Å; K208-L213 HydrophobicContact CB-CD1 4.13Å; K208-L213 HydrophobicContact CD-CD1 4.32Å; K208-L216 HydrophobicContact CB-CD1 4.29Å; K208-L216 HydrophobicContact CB-CD2 3.7Å; K208-L216 HydrophobicContact CD-CD1 3.71Å; K208-L216 HydrophobicContact CG-CD1 3.71Å; K208-L216 HydrophobicContact CG-CD2 3.64Å; K208-L216 HydrophobicContact CG-CG 4.32Å
209	A	93.9	Very high	96.3	Very high	20 Å²	20	5.4 Å²	5.4	17%	0.165	4%	0.041	C	C	.	.	H	α-helix	trans	-66.2	-42.3	175.5	0	0	0	0	0	111.6	A82 L205 K207 E211 G212 L248 L250	A82-A209 HydrophobicContact CB-CB 4.05Å; L205-A209 WeakPolarHBondContact O-CB 3.49Å; L205-A209 PolarHBondContact O-N 3.09Å; K207-A209 VanDerWaalsContact C-N 3.35Å; K207-A209 PolarHBondContact O-N 3.15Å; A209-E211 PolarHBondContact O-N 3.24Å; A209-G212 PolarHBondContact O-N 2.76Å; A209-L248 HydrophobicContact CB-CD1 4.45Å; A209-L250 HydrophobicContact CB-CD1 4.39Å
210	V	93.8	Very high	96.3	Very high	1 Å²	1	5.1 Å²	5.1	1%	0.006	4%	0.04	C	C	.	.	H	α-helix	trans	-69.1	-14.3	179.3	-54.3	0	0	0	0	113.8	A82 L88 I129 V178 S206 K207	A82-V210 HydrophobicContact CB-CG1 4.12Å; A82-V210 WeakPolarHBondContact O-CG1 3.38Å; L88-V210 WeakPolarHBondContact CB-O 3.37Å; L88-V210 WeakPolarHBondContact CG-O 3.14Å; L88-V210 PolarHBondContact N-O 3.24Å; I129-V210 HydrophobicContact CD1-CG2 3.44Å; I129-V210 VanDerWaalsContact CD1-CG2 3.44Å; V178-V210 HydrophobicContact CG2-CB 4.22Å; V178-V210 HydrophobicContact CG2-CG1 3.66Å; V178-V210 HydrophobicContact CG2-CG2 3.46Å; V178-V210 VanDerWaalsContact CG2-CG2 3.46Å; S206-V210 PolarHBondContact O-N 2.81Å; K207-V210 WeakPolarHBondContact O-CG2 3.4Å; K207-V210 PolarHBondContact O-N 3.08Å
211	E	95.5	Very high	96.3	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-10.7	178.5	-71.4	169.3	-159.3	0	0	113.6	W90 P127 I129 K207 K208 A209 L213	W90-E211 PolarHBondContact NE1-O 3.31Å; P127-E211 HydrophobicContact CG-CB 4.07Å; P127-E211 HydrophobicContact CG-CG 4.33Å; P127-E211 WeakPolarHBondContact O-CG 3.28Å; I129-E211 WeakPolarHBondContact CA-OE1 3.27Å; I129-E211 WeakPolarHBondContact CB-OE1 3.48Å; I129-E211 HydrophobicContact CD1-CG 3.77Å; I129-E211 HydrophobicContact CG1-CG 3.85Å; I129-E211 WeakPolarHBondContact CG1-OE1 3.46Å; I129-E211 PolarHBondContact N-OE1 2.68Å; K207-E211 WeakPolarHBondContact O-CG 3.49Å; K208-E211 WeakPolarHBondContact CE-OE1 3.47Å; K208-E211 IonicContact NZ-OE1 2.66Å; K208-E211 PolarHBondContact NZ-OE1 3.47Å; K208-E211 IonicContact NZ-OE2 2.91Å; K208-E211 PolarHBondContact NZ-OE2 2.96Å; K208-E211 PolarHBondContact O-N 2.81Å; A209-E211 PolarHBondContact O-N 3.24Å; E211-L213 VanDerWaalsContact C-N 3.35Å; E211-L213 HydrophobicContact CB-CD1 4.31Å; E211-L213 HydrophobicContact CB-CD2 3.71Å; E211-L213 HydrophobicContact CB-CG 3.72Å; E211-L213 PolarHBondContact O-N 2.91Å; E211-L213 WeakPolarHBondContact OE2-CD1 3.49Å
212	G	93.2	Very high	96.3	Very high	36 Å²	36	6 Å²	6	37%	0.371	4%	0.043	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	38	177	0	0	0	0	0	114.3	A209	A209-G212 PolarHBondContact O-N 2.76Å
213	L	95.7	Very high	96.2	Very high	12 Å²	12	6.2 Å²	6.2	6%	0.063	5%	0.046	C	C	.	.			trans	-74	147.2	-173	-53.6	174.8	0	0	0	113.3	L98 D100 P127 K208 E211 L216 L250	L98-L213 HydrophobicContact CB-CD2 4.43Å; D100-L213 HydrophobicContact CB-CD1 3.6Å; D100-L213 HydrophobicContact CB-CD2 4.03Å; D100-L213 HydrophobicContact CB-CG 4.47Å; P127-L213 HydrophobicContact CG-CD2 3.92Å; K208-L213 HydrophobicContact CB-CD1 4.13Å; K208-L213 HydrophobicContact CD-CD1 4.32Å; E211-L213 VanDerWaalsContact C-N 3.35Å; E211-L213 HydrophobicContact CB-CD1 4.31Å; E211-L213 HydrophobicContact CB-CD2 3.71Å; E211-L213 HydrophobicContact CB-CG 3.72Å; E211-L213 PolarHBondContact O-N 2.91Å; E211-L213 WeakPolarHBondContact OE2-CD1 3.49Å; L213-L216 HydrophobicContact CD1-CB 4.2Å; L213-L216 HydrophobicContact CD1-CD1 4.27Å; L213-L250 HydrophobicContact CB-CD2 4.39Å
214	S	93.7	Very high	96.1	Very high	15 Å²	15	7.9 Å²	7.9	11%	0.105	6%	0.064	C	C	.	.	S	Bend	trans	-75.6	-40.5	162.5	63.6	0	0	0	0	112	H95 Q96 L98 K251	H95-S214 VanDerWaalsContact O-CB 3.31Å; H95-S214 WeakPolarHBondContact O-CB 3.14Å; Q96-S214 PolarHBondContact O-OG 3.11Å; L98-S214 PolarHBondContact O-N 3.05Å; L98-S214 PolarHBondContact O-OG 2.8Å; S214-K251 VanDerWaalsContact O-CB 3.3Å; S214-K251 WeakPolarHBondContact O-CB 3.49Å
215	T	95.9	Very high	96.1	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.006	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	136.5	-173.5	-68.2	0	0	0	0	111.5	V99 D100 K251 I302 S303	V99-T215 VanDerWaalsContact CA-O 3.29Å; V99-T215 WeakPolarHBondContact CA-O 3.36Å; D100-T215 PolarHBondContact N-O 2.84Å; D100-T215 VanDerWaalsContact N-O 3.15Å; T215-K251 WeakPolarHBondContact CA-O 3.21Å; T215-I302 HydrophobicContact CG2-CB 3.79Å; T215-I302 HydrophobicContact CG2-CG2 3.49Å; T215-I302 VanDerWaalsContact CG2-CG2 3.49Å; T215-S303 WeakPolarHBondContact OG1-CA 3.47Å; T215-S303 WeakPolarHBondContact OG1-CB 3.21Å; T215-S303 PolarHBondContact OG1-N 3.39Å
216	L	97.9	Very high	96	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	132.2	172.8	171.9	67.4	0	0	0	109.6	D100 H102 L205 K208 L213 V218 K251 V252 A253	D100-L216 HydrophobicContact CB-CD1 4.37Å; H102-L216 HydrophobicContact CB-CD1 4.48Å; L205-L216 HydrophobicContact CD2-CD2 3.83Å; K208-L216 HydrophobicContact CB-CD1 4.29Å; K208-L216 HydrophobicContact CB-CD2 3.7Å; K208-L216 HydrophobicContact CD-CD1 3.71Å; K208-L216 HydrophobicContact CG-CD1 3.71Å; K208-L216 HydrophobicContact CG-CD2 3.64Å; K208-L216 HydrophobicContact CG-CG 4.32Å; L213-L216 HydrophobicContact CD1-CB 4.2Å; L213-L216 HydrophobicContact CD1-CD1 4.27Å; L216-V218 HydrophobicContact CD1-CG2 4.34Å; L216-V218 HydrophobicContact CD2-CG2 3.76Å; L216-V218 HydrophobicContact CG-CG2 3.85Å; L216-K251 PolarHBondContact N-O 3.23Å; L216-V252 HydrophobicContact CB-CG2 4.23Å; L216-V252 HydrophobicContact CD2-CG1 4.09Å; L216-V252 HydrophobicContact CD2-CG2 3.97Å; L216-V252 HydrophobicContact CG-CG1 4.4Å; L216-V252 WeakPolarHBondContact O-CA 3.46Å; L216-A253 PolarHBondContact O-N 3.15Å
217	V	98.3	Very high	95.8	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	127.3	163.9	174.7	0	0	0	0	109.4	D100 K101 H102 A253 L295 A298 I299 I302	D100-V217 PolarHBondContact O-N 3.05Å; D100-V217 VanDerWaalsContact O-N 3.11Å; K101-V217 VanDerWaalsContact CA-O 3.29Å; K101-V217 WeakPolarHBondContact CA-O 3.33Å; H102-V217 PolarHBondContact N-O 3.17Å; V217-A253 CarbonylContact C-O 3.49Å; V217-A253 WeakPolarHBondContact CA-O 3.21Å; V217-A253 HydrophobicContact CG2-CB 4.42Å; V217-L295 HydrophobicContact CG1-CD2 3.89Å; V217-A298 HydrophobicContact CG2-CB 4.35Å; V217-I299 HydrophobicContact CB-CD1 4.14Å; V217-I299 HydrophobicContact CB-CG1 3.67Å; V217-I299 HydrophobicContact CG2-CB 4.43Å; V217-I299 HydrophobicContact CG2-CD1 4.39Å; V217-I299 HydrophobicContact CG2-CG1 3.4Å; V217-I302 HydrophobicContact CG2-CD1 4.09Å
218	V	98.5	Very high	95.7	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	121.2	176.1	-169.2	0	0	0	0	110.4	H102 I204 L216 V220 L241 V252 A253 A254 A255	H102-V218 CarbonylContact O-C 3.55Å; H102-V218 WeakPolarHBondContact O-CA 3.34Å; I204-V218 HydrophobicContact CD1-CG1 4.3Å; I204-V218 HydrophobicContact CG2-CG1 4.4Å; I204-V218 HydrophobicContact CG2-CG2 4.38Å; L216-V218 HydrophobicContact CD1-CG2 4.34Å; L216-V218 HydrophobicContact CD2-CG2 3.76Å; L216-V218 HydrophobicContact CG-CG2 3.85Å; V218-V220 HydrophobicContact CG1-CG2 4.16Å; V218-V220 PolarHBondContact O-N 3.36Å; V218-L241 HydrophobicContact CB-CD1 4.22Å; V218-L241 HydrophobicContact CG1-CD1 3.72Å; V218-V252 HydrophobicContact CG2-CG1 4.09Å; V218-A253 PolarHBondContact N-O 3.24Å; V218-A254 HydrophobicContact CB-CB 4.49Å; V218-A254 CarbonylContact O-C 3.43Å; V218-A254 WeakPolarHBondContact O-CA 3.26Å; V218-A255 PolarHBondContact O-N 2.93Å
219	D	98.5	Very high	95.7	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	102.9	176.8	-173.3	-6.4	0	0	0	110	K101 H102 S103 T104 K221 T257 L295	K101-D219 HydrophobicContact CD-CB 4.15Å; H102-D219 WeakPolarHBondContact O-CB 3.49Å; H102-D219 PolarHBondContact O-N 2.73Å; S103-D219 WeakPolarHBondContact CA-O 3.24Å; T104-D219 PolarHBondContact N-O 3.03Å; T104-D219 PolarHBondContact OG1-O 3.04Å; T104-D219 VanDerWaalsContact OG1-O 3.13Å; D219-K221 WeakPolarHBondContact OD1-CD 3.44Å; D219-K221 WeakPolarHBondContact OD1-CE 3.5Å; D219-K221 IonicContact OD1-NZ 2.62Å; D219-K221 PolarHBondContact OD1-NZ 3.13Å; D219-K221 WeakPolarHBondContact OD2-CE 3.37Å; D219-K221 IonicContact OD2-NZ 3.77Å; D219-K221 PolarHBondContact OD2-NZ 2.78Å; D219-T257 WeakPolarHBondContact OD1-CG2 3.3Å; D219-T257 PolarHBondContact OD1-OG1 2.86Å; D219-L295 HydrophobicContact CB-CD1 4.22Å; D219-L295 HydrophobicContact CB-CD2 4.5Å; D219-L295 WeakPolarHBondContact OD2-CD1 3.35Å
220	V	98.4	Very high	95.8	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.006	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	108.9	-176.3	-178.9	0	0	0	0	108.9	T104 V218 A234 L237 A238 L241 A254 A255 L256 T257	T104-V220 HydrophobicContact CG2-CB 4.32Å; T104-V220 HydrophobicContact CG2-CG1 4.29Å; T104-V220 HydrophobicContact CG2-CG2 4.03Å; T104-V220 WeakPolarHBondContact OG1-CA 3.34Å; V218-V220 HydrophobicContact CG1-CG2 4.16Å; V218-V220 PolarHBondContact O-N 3.36Å; V220-A234 HydrophobicContact CG1-CB 4.11Å; V220-A234 WeakPolarHBondContact CG1-O 3.24Å; V220-L237 HydrophobicContact CG1-CB 4.47Å; V220-L237 HydrophobicContact CG1-CD2 4Å; V220-L237 HydrophobicContact CG1-CG 4.34Å; V220-A238 HydrophobicContact CB-CB 4.4Å; V220-A238 HydrophobicContact CG2-CB 4.08Å; V220-L241 HydrophobicContact CG2-CD1 3.7Å; V220-A254 HydrophobicContact CG2-CB 4.15Å; V220-A255 PolarHBondContact N-O 3.26Å; V220-L256 HydrophobicContact CB-CD2 4.01Å; V220-L256 HydrophobicContact CG1-CD2 3.86Å; V220-L256 WeakPolarHBondContact O-CA 3.46Å; V220-T257 PolarHBondContact O-N 2.94Å
221	K	97.9	Very high	95.9	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.009	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	143.9	-178	-53.7	-47.7	-173.7	175.7	0	110.5	S103 T104 G105 D109 D219 A226 T257 M259	S103-K221 WeakPolarHBondContact OG-CE 3.11Å; T104-K221 PolarHBondContact OG1-N 2.96Å; G105-K221 VanDerWaalsContact O-CG 3.22Å; G105-K221 WeakPolarHBondContact O-CG 3.38Å; D109-K221 WeakPolarHBondContact OD2-CE 3.38Å; D109-K221 IonicContact OD2-NZ 3.82Å; D109-K221 PolarHBondContact OD2-NZ 3.32Å; D219-K221 WeakPolarHBondContact OD1-CD 3.44Å; D219-K221 WeakPolarHBondContact OD1-CE 3.5Å; D219-K221 IonicContact OD1-NZ 2.62Å; D219-K221 PolarHBondContact OD1-NZ 3.13Å; D219-K221 WeakPolarHBondContact OD2-CE 3.37Å; D219-K221 IonicContact OD2-NZ 3.77Å; D219-K221 PolarHBondContact OD2-NZ 2.78Å; K221-A226 VanDerWaalsContact C-CB 3.46Å; K221-A226 HydrophobicContact CB-CB 3.65Å; K221-A226 WeakPolarHBondContact O-CB 3.35Å; K221-T257 CarbonylContact C-O 3.55Å; K221-T257 VanDerWaalsContact CA-O 3.28Å; K221-T257 WeakPolarHBondContact CA-O 3.34Å; K221-T257 WeakPolarHBondContact CD-OG1 3.47Å; K221-T257 PolarHBondContact NZ-OG1 3.36Å; K221-M259 HydrophobicContact CB-CB 3.95Å; K221-M259 HydrophobicContact CB-CG 4.34Å; K221-M259 HydrophobicContact CD-CE 3.74Å; K221-M259 HydrophobicContact CG-CB 4.41Å; K221-M259 HydrophobicContact CG-CE 4.14Å; K221-M259 HydrophobicContact CG-CG 4.46Å
222	F	97.7	Very high	95.9	Very high	25 Å²	25	24.8 Å²	24.8	11%	0.11	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	167.4	164.4	70.9	-87.5	0	0	0	110.6	A226 Q231 A234 L256 T257 A258 M259 A460	F222-A226 VanDerWaalsContact C-CB 3.48Å; F222-A226 VanDerWaalsContact CA-CB 3.46Å; F222-Q231 HydrophobicContact CB-CB 4.49Å; F222-Q231 HydrophobicContact CD1-CG 4.35Å; F222-Q231 HydrophobicContact CD2-CB 3.95Å; F222-Q231 HydrophobicContact CD2-CG 3.96Å; F222-Q231 HydrophobicContact CE2-CB 4.45Å; F222-Q231 HydrophobicContact CE2-CG 4.17Å; F222-Q231 HydrophobicContact CG-CB 4.25Å; F222-Q231 HydrophobicContact CG-CG 4.07Å; F222-Q231 HydrophobicContact CZ-CG 4.45Å; F222-A234 HydrophobicContact CB-CB 3.65Å; F222-L256 HydrophobicContact CD1-CB 4.15Å; F222-L256 HydrophobicContact CE1-CB 4.16Å; F222-T257 VanDerWaalsContact CD1-O 3.31Å; F222-T257 WeakPolarHBondContact CD1-O 3.46Å; F222-T257 VanDerWaalsContact CE1-C 3.47Å; F222-T257 PolarHBondContact N-O 3.41Å; F222-A258 HydrophobicContact CE1-CB 4.4Å; F222-A258 HydrophobicContact CE2-CB 4.28Å; F222-A258 HydrophobicContact CZ-CB 3.97Å; F222-A258 CarbonylContact O-C 3.52Å; F222-M259 WeakPolarHBondContact O-CA 3.42Å; F222-M259 WeakPolarHBondContact O-CB 3.46Å; F222-M259 PolarHBondContact O-N 3.28Å; F222-A460 HydrophobicContact CE1-CB 3.8Å; F222-A460 HydrophobicContact CZ-CB 3.92Å
223	G	96.2	Very high	96.1	Very high	6 Å²	6	28.6 Å²	28.6	6%	0.062	16%	0.157	C	C	.	.	S	Bend	trans	96.8	-178	-177.1	0	0	0	0	0	114.1	A225 A226 P229 D260	G223-A225 VanDerWaalsContact C-N 3.25Å; G223-A225 PolarHBondContact O-N 2.83Å; G223-A226 WeakPolarHBondContact O-CB 3.19Å; G223-A226 PolarHBondContact O-N 2.85Å; G223-P229 PolarHBondContact N-O 3.34Å; G223-P229 VanDerWaalsContact O-CA 3.3Å; G223-P229 WeakPolarHBondContact O-CA 3.34Å; G223-D260 VanDerWaalsContact CA-OD1 3.32Å; G223-D260 WeakPolarHBondContact CA-OD1 3.38Å
224	G	93.9	Very high	96.1	Very high	38 Å²	38	28 Å²	28	39%	0.392	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-25.7	-159.5	0	0	0	0	0	116.8	D260 L381	G224-D260 PolarHBondContact N-OD1 3.02Å; G224-L381 WeakPolarHBondContact O-CD2 3.5Å
225	A	95.4	Very high	96.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	9.3	176.1	0	0	0	0	0	114.5	V107 H136 G223 M259 A380 L381	V107-A225 HydrophobicContact CG2-CB 3.69Å; H136-A225 PolarHBondContact NE2-O 3.47Å; G223-A225 VanDerWaalsContact C-N 3.25Å; G223-A225 PolarHBondContact O-N 2.83Å; A225-M259 HydrophobicContact CB-CG 4.29Å; A225-M259 WeakPolarHBondContact CB-O 3.45Å; A225-M259 PolarHBondContact N-O 2.88Å; A225-A380 HydrophobicContact CB-CB 3.34Å; A225-L381 HydrophobicContact CB-CB 3.87Å
226	A	94.8	Very high	96.3	Very high	5 Å²	5	34.6 Å²	34.6	4%	0.041	18%	0.181	C	C	.	.	S	Bend	trans	-74	161.9	169.4	0	0	0	0	0	111.6	K221 F222 G223 F228 M259	K221-A226 VanDerWaalsContact C-CB 3.46Å; K221-A226 HydrophobicContact CB-CB 3.65Å; K221-A226 WeakPolarHBondContact O-CB 3.35Å; F222-A226 VanDerWaalsContact C-CB 3.48Å; F222-A226 VanDerWaalsContact CA-CB 3.46Å; G223-A226 WeakPolarHBondContact O-CB 3.19Å; G223-A226 PolarHBondContact O-N 2.85Å; A226-F228 VanDerWaalsContact C-N 3.25Å; A226-F228 PolarHBondContact O-N 2.97Å; A226-M259 HydrophobicContact CB-CB 4.24Å
227	V	91.7	Very high	96.3	Very high	21 Å²	21	34.6 Å²	34.6	13%	0.127	18%	0.181	C	C	.	.	S	Bend	trans	-61.2	-37.7	171.8	179.8	0	0	0	0	111.1	T104 V194 D195 I200	T104-V227 WeakPolarHBondContact O-CG2 3.4Å; V194-V227 HydrophobicContact CG1-CG1 4.31Å; D195-V227 HydrophobicContact CB-CG1 3.58Å; I200-V227 HydrophobicContact CD1-CG1 3.79Å
228	F	93.5	Very high	96.2	Very high	19 Å²	19	34.6 Å²	34.6	8%	0.083	18%	0.181	C	C	.	.	S	Bend	trans	-117.3	102.5	171	-66.9	-65.3	0	0	0	109.6	D195 V197 I200 A226 D230 K233 A234 L237	D195-F228 HydrophobicContact CB-CE1 4.15Å; D195-F228 HydrophobicContact CB-CZ 4.34Å; D195-F228 WeakPolarHBondContact O-CE1 3.36Å; D195-F228 VanDerWaalsContact O-CZ 3.29Å; D195-F228 WeakPolarHBondContact O-CZ 3.49Å; V197-F228 HydrophobicContact CG2-CE2 3.97Å; V197-F228 HydrophobicContact CG2-CZ 3.72Å; I200-F228 HydrophobicContact CD1-CD2 4.49Å; I200-F228 HydrophobicContact CD1-CE2 3.53Å; I200-F228 HydrophobicContact CD1-CZ 3.98Å; A226-F228 VanDerWaalsContact C-N 3.25Å; A226-F228 PolarHBondContact O-N 2.97Å; F228-D230 VanDerWaalsContact C-N 3.29Å; F228-D230 PolarHBondContact O-N 2.94Å; F228-K233 HydrophobicContact CB-CB 4.29Å; F228-K233 HydrophobicContact CD1-CB 4.4Å; F228-K233 HydrophobicContact CG-CB 4.45Å; F228-A234 HydrophobicContact CB-CB 4.48Å; F228-L237 HydrophobicContact CD2-CB 4.44Å; F228-L237 HydrophobicContact CD2-CD2 3.89Å; F228-L237 HydrophobicContact CE2-CB 4.45Å; F228-L237 HydrophobicContact CE2-CD2 3.9Å
229	P	94.5	Very high	96.1	Very high	77 Å²	77	39.2 Å²	39.2	50%	0.5	20%	0.201	S	C	.	.			trans	-64.3	-34.5	-179.5	-26.1	35.5	0	0	0	113.8	G223	G223-P229 PolarHBondContact N-O 3.34Å; G223-P229 VanDerWaalsContact O-CA 3.3Å; G223-P229 WeakPolarHBondContact O-CA 3.34Å
230	D	96.3	Very high	96	Very high	81 Å²	81	41.2 Å²	41.2	43%	0.433	21%	0.211	S	C	.	.	S	Bend	trans	-71.9	127.4	177.7	177.8	-102.6	0	0	0	111.5	F228 E232 K233 A234	F228-D230 VanDerWaalsContact C-N 3.29Å; F228-D230 PolarHBondContact O-N 2.94Å; D230-E232 VanDerWaalsContact C-N 3.34Å; D230-E232 PolarHBondContact O-N 3.33Å; D230-E232 WeakPolarHBondContact OD1-CB 3.32Å; D230-E232 PolarHBondContact OD1-N 3.39Å; D230-E232 VanDerWaalsContact OD1-N 3.15Å; D230-K233 HydrophobicContact CB-CB 4.26Å; D230-K233 HydrophobicContact CB-CD 4.37Å; D230-K233 HydrophobicContact CB-CG 4.32Å; D230-K233 PolarHBondContact O-N 2.8Å; D230-K233 WeakPolarHBondContact OD1-CG 3.31Å; D230-K233 PolarHBondContact OD1-N 3.4Å; D230-A234 PolarHBondContact O-N 2.89Å
231	Q	96.2	Very high	96	Very high	72 Å²	72	41.1 Å²	41.1	34%	0.336	21%	0.211	S	C	.	.	H	α-helix	trans	-66.5	-34.6	-176.2	-172.6	179.6	-3.5	0	0	112.5	F222 A234 R235	F222-Q231 HydrophobicContact CB-CB 4.49Å; F222-Q231 HydrophobicContact CD1-CG 4.35Å; F222-Q231 HydrophobicContact CD2-CB 3.95Å; F222-Q231 HydrophobicContact CD2-CG 3.96Å; F222-Q231 HydrophobicContact CE2-CB 4.45Å; F222-Q231 HydrophobicContact CE2-CG 4.17Å; F222-Q231 HydrophobicContact CG-CB 4.25Å; F222-Q231 HydrophobicContact CG-CG 4.07Å; F222-Q231 HydrophobicContact CZ-CG 4.45Å; Q231-A234 PolarHBondContact O-N 3.44Å; Q231-R235 WeakPolarHBondContact O-CB 3.2Å; Q231-R235 PolarHBondContact O-N 2.66Å
232	E	96.7	Very high	95.9	Very high	109 Å²	109	41.2 Å²	41.2	51%	0.509	21%	0.212	S	C	.	.	H	α-helix	trans	-67.9	-44.2	178	-66	-55	140.2	0	0	111.2	D230 A234 R235 E236	D230-E232 VanDerWaalsContact C-N 3.34Å; D230-E232 PolarHBondContact O-N 3.33Å; D230-E232 WeakPolarHBondContact OD1-CB 3.32Å; D230-E232 PolarHBondContact OD1-N 3.39Å; D230-E232 VanDerWaalsContact OD1-N 3.15Å; E232-A234 VanDerWaalsContact C-N 3.33Å; E232-A234 PolarHBondContact O-N 2.82Å; E232-R235 CarbonylContact O-C 3.54Å; E232-R235 WeakPolarHBondContact O-CA 3.48Å; E232-R235 WeakPolarHBondContact O-CB 3.42Å; E232-R235 PolarHBondContact O-N 3.19Å; E232-R235 VanDerWaalsContact O-N 3.08Å; E232-R235 IonicContact OE1-CZ 3.81Å; E232-R235 IonicContact OE1-NH1 2.64Å; E232-R235 PolarHBondContact OE1-NH1 3.4Å; E232-R235 IonicContact OE2-CZ 2.86Å; E232-R235 IonicContact OE2-NH1 3.22Å; E232-R235 PolarHBondContact OE2-NH1 2.92Å; E232-E236 WeakPolarHBondContact O-CG 3.22Å; E232-E236 PolarHBondContact O-N 3.02Å
233	K	95.6	Very high	95.8	Very high	116 Å²	116	47.6 Å²	47.6	50%	0.504	24%	0.235	S	C	.	.	H	α-helix	trans	-61.6	-39.1	173.2	-72.8	-174.2	179.2	-177.7	0	112.7	F228 D230 R235 E236 L237	F228-K233 HydrophobicContact CB-CB 4.29Å; F228-K233 HydrophobicContact CD1-CB 4.4Å; F228-K233 HydrophobicContact CG-CB 4.45Å; D230-K233 HydrophobicContact CB-CB 4.26Å; D230-K233 HydrophobicContact CB-CD 4.37Å; D230-K233 HydrophobicContact CB-CG 4.32Å; D230-K233 PolarHBondContact O-N 2.8Å; D230-K233 WeakPolarHBondContact OD1-CG 3.31Å; D230-K233 PolarHBondContact OD1-N 3.4Å; K233-R235 VanDerWaalsContact C-N 3.31Å; K233-E236 WeakPolarHBondContact O-CB 3.44Å; K233-E236 PolarHBondContact O-N 2.99Å; K233-L237 PolarHBondContact O-N 2.73Å
234	A	97.2	Very high	95.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.2	-40.8	172.7	0	0	0	0	0	111.2	V220 F222 F228 D230 Q231 E232 E236 L237 A238 L256	V220-A234 HydrophobicContact CG1-CB 4.11Å; V220-A234 WeakPolarHBondContact CG1-O 3.24Å; F222-A234 HydrophobicContact CB-CB 3.65Å; F228-A234 HydrophobicContact CB-CB 4.48Å; D230-A234 PolarHBondContact O-N 2.89Å; Q231-A234 PolarHBondContact O-N 3.44Å; E232-A234 VanDerWaalsContact C-N 3.33Å; E232-A234 PolarHBondContact O-N 2.82Å; A234-E236 PolarHBondContact O-N 2.91Å; A234-L237 WeakPolarHBondContact O-CB 3.28Å; A234-L237 PolarHBondContact O-N 3.05Å; A234-A238 PolarHBondContact O-N 3.32Å; A234-L256 HydrophobicContact CB-CD2 3.87Å
235	R	96.9	Very high	95.8	Very high	32 Å²	32	45.5 Å²	45.5	12%	0.121	21%	0.213	C	C	.	.	H	α-helix	trans	-64.6	-37.2	174.2	-170.1	178.4	-68.5	102.9	-1.7	112.5	Q231 E232 K233 A238 K239 L256 E461	Q231-R235 WeakPolarHBondContact O-CB 3.2Å; Q231-R235 PolarHBondContact O-N 2.66Å; E232-R235 CarbonylContact O-C 3.54Å; E232-R235 WeakPolarHBondContact O-CA 3.48Å; E232-R235 WeakPolarHBondContact O-CB 3.42Å; E232-R235 PolarHBondContact O-N 3.19Å; E232-R235 VanDerWaalsContact O-N 3.08Å; E232-R235 IonicContact OE1-CZ 3.81Å; E232-R235 IonicContact OE1-NH1 2.64Å; E232-R235 PolarHBondContact OE1-NH1 3.4Å; E232-R235 IonicContact OE2-CZ 2.86Å; E232-R235 IonicContact OE2-NH1 3.22Å; E232-R235 PolarHBondContact OE2-NH1 2.92Å; K233-R235 VanDerWaalsContact C-N 3.31Å; R235-A238 PolarHBondContact O-N 3.27Å; R235-K239 HydrophobicContact CG-CD 4.42Å; R235-K239 WeakPolarHBondContact O-CG 3.41Å; R235-K239 PolarHBondContact O-N 2.76Å; R235-L256 HydrophobicContact CB-CD1 3.82Å; R235-L256 HydrophobicContact CG-CD1 4.04Å; R235-E461 IonicContact CZ-OE2 2.74Å; R235-E461 VanDerWaalsContact CZ-OE2 3.3Å; R235-E461 IonicContact NE-OE1 2.75Å; R235-E461 IonicContact NE-OE2 3.65Å; R235-E461 PolarHBondContact NE-OE2 2.98Å; R235-E461 IonicContact NH2-OE2 3.02Å; R235-E461 PolarHBondContact NH2-OE2 2.81Å
236	E	96	Very high	95.4	Very high	122 Å²	122	48.5 Å²	48.5	57%	0.57	23%	0.231	S	C	*	.	H	α-helix	trans	-61.9	-44.9	172.5	-72.1	-179.6	172.9	0	0	111.6	E232 K233 A234 A238 K239 M240	E232-E236 WeakPolarHBondContact O-CG 3.22Å; E232-E236 PolarHBondContact O-N 3.02Å; K233-E236 WeakPolarHBondContact O-CB 3.44Å; K233-E236 PolarHBondContact O-N 2.99Å; A234-E236 PolarHBondContact O-N 2.91Å; E236-A238 PolarHBondContact O-N 3.22Å; E236-K239 PolarHBondContact O-N 3.12Å; E236-M240 WeakPolarHBondContact O-CB 3.42Å; E236-M240 PolarHBondContact O-N 2.98Å
237	L	97.3	Very high	94.9	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-59.5	-45.9	173.4	173.1	62.8	0	0	0	111.4	T104 V197 I200 V220 F228 K233 A234 K239 M240 L241	T104-L237 HydrophobicContact CG2-CD2 3.72Å; V197-L237 HydrophobicContact CG1-CD1 4.08Å; I200-L237 HydrophobicContact CB-CD1 4.19Å; I200-L237 HydrophobicContact CD1-CD2 4.49Å; I200-L237 HydrophobicContact CG2-CD1 3.87Å; I200-L237 HydrophobicContact CG2-CD2 3.98Å; V220-L237 HydrophobicContact CG1-CB 4.47Å; V220-L237 HydrophobicContact CG1-CD2 4Å; V220-L237 HydrophobicContact CG1-CG 4.34Å; F228-L237 HydrophobicContact CD2-CB 4.44Å; F228-L237 HydrophobicContact CD2-CD2 3.89Å; F228-L237 HydrophobicContact CE2-CB 4.45Å; F228-L237 HydrophobicContact CE2-CD2 3.9Å; K233-L237 PolarHBondContact O-N 2.73Å; A234-L237 WeakPolarHBondContact O-CB 3.28Å; A234-L237 PolarHBondContact O-N 3.05Å; L237-K239 PolarHBondContact O-N 3.1Å; L237-M240 PolarHBondContact O-N 3.47Å; L237-L241 HydrophobicContact CD1-CD1 3.99Å; L237-L241 HydrophobicContact CD1-CG 4.08Å; L237-L241 HydrophobicContact CG-CD1 3.87Å; L237-L241 HydrophobicContact CG-CG 4.44Å; L237-L241 WeakPolarHBondContact O-CG 3.47Å; L237-L241 PolarHBondContact O-N 3.41Å
238	A	97.7	Very high	94.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-57.3	-48	177	0	0	0	0	0	111.6	V220 A234 R235 E236 M240 L241 V242 A254 L256 V463	V220-A238 HydrophobicContact CB-CB 4.4Å; V220-A238 HydrophobicContact CG2-CB 4.08Å; A234-A238 PolarHBondContact O-N 3.32Å; R235-A238 PolarHBondContact O-N 3.27Å; E236-A238 PolarHBondContact O-N 3.22Å; A238-M240 VanDerWaalsContact C-N 3.34Å; A238-M240 PolarHBondContact O-N 2.89Å; A238-L241 PolarHBondContact O-N 3.14Å; A238-V242 WeakPolarHBondContact O-CG2 3.49Å; A238-V242 PolarHBondContact O-N 3.4Å; A238-A254 HydrophobicContact CB-CB 3.69Å; A238-L256 HydrophobicContact CB-CD2 4.22Å; A238-V463 HydrophobicContact CB-CB 4.47Å; A238-V463 HydrophobicContact CB-CG2 4.07Å
239	K	96.2	Very high	94.1	Very high	96 Å²	96	54.5 Å²	54.5	42%	0.417	28%	0.284	S	S	.	.	H	α-helix	trans	-62.4	-39.3	175.9	-72.3	170.8	-179.9	171.3	0	112.1	R235 E236 L237 R243 V463	R235-K239 HydrophobicContact CG-CD 4.42Å; R235-K239 WeakPolarHBondContact O-CG 3.41Å; R235-K239 PolarHBondContact O-N 2.76Å; E236-K239 PolarHBondContact O-N 3.12Å; L237-K239 PolarHBondContact O-N 3.1Å; K239-R243 WeakPolarHBondContact O-CB 3.45Å; K239-R243 VanDerWaalsContact O-CG 3.24Å; K239-R243 WeakPolarHBondContact O-CG 3.38Å; K239-R243 PolarHBondContact O-N 3.23Å; K239-V463 HydrophobicContact CG-CG1 4.24Å
240	M	96.5	Very high	93.8	Very high	42 Å²	42	51.5 Å²	51.5	21%	0.207	26%	0.264	C	S	.	.	H	α-helix	trans	-65.1	-46.4	177.4	-174	63	80.8	0	0	111.6	L71 V197 T201 E236 L237 A238 V242 R243 V244	L71-M240 HydrophobicContact CD1-SD 3.76Å; V197-M240 HydrophobicContact CG1-CB 4Å; V197-M240 HydrophobicContact CG1-CG 3.95Å; T201-M240 HydrophobicContact CG2-CG 4.1Å; T201-M240 WeakPolarHBondContact OG1-CG 3.31Å; E236-M240 WeakPolarHBondContact O-CB 3.42Å; E236-M240 PolarHBondContact O-N 2.98Å; L237-M240 PolarHBondContact O-N 3.47Å; A238-M240 VanDerWaalsContact C-N 3.34Å; A238-M240 PolarHBondContact O-N 2.89Å; M240-V242 VanDerWaalsContact C-N 3.34Å; M240-V242 PolarHBondContact O-N 2.9Å; M240-R243 PolarHBondContact O-N 3.03Å; M240-V244 HydrophobicContact CG-CG2 4.32Å; M240-V244 WeakPolarHBondContact O-CB 3.18Å; M240-V244 WeakPolarHBondContact O-CG2 3.4Å; M240-V244 PolarHBondContact O-N 3.46Å; M240-V244 HydrophobicContact SD-CG2 3.89Å
241	L	97.4	Very high	93.7	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-57	-46.6	175.7	-75.7	160.5	0	0	0	111.7	T201 I204 L205 V218 V220 L237 A238 G245	T201-L241 HydrophobicContact CG2-CD2 4.25Å; I204-L241 HydrophobicContact CB-CD2 4.16Å; I204-L241 HydrophobicContact CD1-CD2 4.3Å; I204-L241 HydrophobicContact CG2-CD2 4.19Å; L205-L241 HydrophobicContact CD1-CD2 4.44Å; L205-L241 WeakPolarHBondContact CD1-O 3.41Å; L205-L241 HydrophobicContact CD2-CD2 4.43Å; L205-L241 HydrophobicContact CG-CD2 4.07Å; V218-L241 HydrophobicContact CB-CD1 4.22Å; V218-L241 HydrophobicContact CG1-CD1 3.72Å; V220-L241 HydrophobicContact CG2-CD1 3.7Å; L237-L241 HydrophobicContact CD1-CD1 3.99Å; L237-L241 HydrophobicContact CD1-CG 4.08Å; L237-L241 HydrophobicContact CG-CD1 3.87Å; L237-L241 HydrophobicContact CG-CG 4.44Å; L237-L241 WeakPolarHBondContact O-CG 3.47Å; L237-L241 PolarHBondContact O-N 3.41Å; A238-L241 PolarHBondContact O-N 3.14Å; L241-G245 WeakPolarHBondContact O-CA 3.46Å; L241-G245 PolarHBondContact O-N 3.14Å
242	V	96.7	Very high	93.7	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.024	25%	0.247	C	C	.	.	H	α-helix	trans	-63.1	-47.9	177.9	170.9	0	0	0	0	111.1	A238 M240 G245 V246 V252 A254 V463 P465	A238-V242 WeakPolarHBondContact O-CG2 3.49Å; A238-V242 PolarHBondContact O-N 3.4Å; M240-V242 VanDerWaalsContact C-N 3.34Å; M240-V242 PolarHBondContact O-N 2.9Å; V242-G245 PolarHBondContact O-N 3.48Å; V242-V246 WeakPolarHBondContact O-CG2 3.26Å; V242-V246 PolarHBondContact O-N 3.01Å; V242-V252 HydrophobicContact CG2-CG1 4.37Å; V242-A254 HydrophobicContact CG2-CB 4.01Å; V242-V463 HydrophobicContact CG2-CG1 4.31Å; V242-P465 VanDerWaalsContact CG1-CA 3.47Å; V242-P465 HydrophobicContact CG1-CB 3.95Å
243	R	94.8	Very high	93.7	Very high	159 Å²	159	43.6 Å²	43.6	60%	0.6	22%	0.222	S	C	*	.	H	α-helix	trans	-63.7	-47.8	-178.9	-74.7	173.7	179.9	-173.4	-0.3	112.8	L71 K239 M240 G245 S247	L71-R243 HydrophobicContact CD1-CB 4.3Å; K239-R243 WeakPolarHBondContact O-CB 3.45Å; K239-R243 VanDerWaalsContact O-CG 3.24Å; K239-R243 WeakPolarHBondContact O-CG 3.38Å; K239-R243 PolarHBondContact O-N 3.23Å; M240-R243 PolarHBondContact O-N 3.03Å; R243-G245 VanDerWaalsContact C-N 3.35Å; R243-S247 PolarHBondContact O-N 2.59Å
244	V	95.7	Very high	93.8	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-67.2	-39.9	178.4	176.3	0	0	0	0	110.2	L71 T74 T78 T201 L205 M240 V246 S247 L248	L71-V244 HydrophobicContact CD1-CG2 3.59Å; T74-V244 HydrophobicContact CG2-CG2 4.06Å; T78-V244 HydrophobicContact CG2-CG1 4.39Å; T201-V244 HydrophobicContact CG2-CB 3.79Å; T201-V244 HydrophobicContact CG2-CG1 4.05Å; T201-V244 HydrophobicContact CG2-CG2 3.84Å; L205-V244 HydrophobicContact CD1-CB 3.6Å; L205-V244 HydrophobicContact CD1-CG1 3.51Å; M240-V244 HydrophobicContact CG-CG2 4.32Å; M240-V244 WeakPolarHBondContact O-CB 3.18Å; M240-V244 WeakPolarHBondContact O-CG2 3.4Å; M240-V244 PolarHBondContact O-N 3.46Å; M240-V244 HydrophobicContact SD-CG2 3.89Å; V244-V246 PolarHBondContact O-N 3.19Å; V244-S247 WeakPolarHBondContact O-CB 3.39Å; V244-S247 PolarHBondContact O-N 3.31Å; V244-S247 VanDerWaalsContact O-N 3.07Å; V244-S247 PolarHBondContact O-OG 3.18Å; V244-L248 HydrophobicContact CG1-CD1 4.43Å; V244-L248 WeakPolarHBondContact O-CG 3.28Å; V244-L248 PolarHBondContact O-N 3.39Å
245	G	94.1	Very high	93.9	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-57.3	-45.9	176.6	0	0	0	0	0	113.2	L241 V242 R243 S247 L248 G249 L250	L241-G245 WeakPolarHBondContact O-CA 3.46Å; L241-G245 PolarHBondContact O-N 3.14Å; V242-G245 PolarHBondContact O-N 3.48Å; R243-G245 VanDerWaalsContact C-N 3.35Å; G245-S247 VanDerWaalsContact C-N 3.27Å; G245-S247 PolarHBondContact O-N 3.47Å; G245-L248 WeakPolarHBondContact O-CB 3.25Å; G245-L248 PolarHBondContact O-N 2.78Å; G245-G249 PolarHBondContact O-N 3.17Å; G245-L250 PolarHBondContact O-N 2.95Å; G245-L250 VanDerWaalsContact O-N 3.11Å
246	V	88.4	Confident	94	Very high	62 Å²	62	36.5 Å²	36.5	38%	0.376	19%	0.193	S	C	.	.	H	α-helix	trans	-60.2	-38.2	175.2	170.9	0	0	0	0	111.4	V242 V244 L248 G249 P465	V242-V246 WeakPolarHBondContact O-CG2 3.26Å; V242-V246 PolarHBondContact O-N 3.01Å; V244-V246 PolarHBondContact O-N 3.19Å; V246-L248 PolarHBondContact O-N 3.48Å; V246-G249 PolarHBondContact O-N 3.49Å; V246-P465 HydrophobicContact CG2-CB 3.94Å
247	S	84.4	Confident	94.1	Very high	61 Å²	61	30.7 Å²	30.7	43%	0.427	17%	0.165	S	C	.	.	H	α-helix	trans	-66.5	-14.3	176.6	79.8	0	0	0	0	114.2	S75 R243 V244 G245	S75-S247 PolarHBondContact OG-OG 2.97Å; S75-S247 VanDerWaalsContact OG-OG 3.11Å; R243-S247 PolarHBondContact O-N 2.59Å; V244-S247 WeakPolarHBondContact O-CB 3.39Å; V244-S247 PolarHBondContact O-N 3.31Å; V244-S247 VanDerWaalsContact O-N 3.07Å; V244-S247 PolarHBondContact O-OG 3.18Å; G245-S247 VanDerWaalsContact C-N 3.27Å; G245-S247 PolarHBondContact O-N 3.47Å
248	L	84.4	Confident	94.1	Very high	42 Å²	42	32.1 Å²	32.1	22%	0.22	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	3.4	174.7	-59.5	171.8	0	0	0	112.7	T78 R79 L205 A209 V244 G245 V246 L250	T78-L248 HydrophobicContact CG2-CD1 3.58Å; R79-L248 HydrophobicContact CG-CD2 3.31Å; L205-L248 HydrophobicContact CB-CD1 4.11Å; L205-L248 HydrophobicContact CD1-CD1 4.5Å; A209-L248 HydrophobicContact CB-CD1 4.45Å; V244-L248 HydrophobicContact CG1-CD1 4.43Å; V244-L248 WeakPolarHBondContact O-CG 3.28Å; V244-L248 PolarHBondContact O-N 3.39Å; G245-L248 WeakPolarHBondContact O-CB 3.25Å; G245-L248 PolarHBondContact O-N 2.78Å; V246-L248 PolarHBondContact O-N 3.48Å; L248-L250 VanDerWaalsContact C-N 3.31Å; L248-L250 HydrophobicContact CB-CD1 4.39Å; L248-L250 HydrophobicContact CB-CG 4.38Å
249	G	83.5	Confident	94.1	Very high	69 Å²	69	32.2 Å²	32.2	71%	0.711	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.7	12.4	-176.1	0	0	0	0	0	114.5	G245 V246	G245-G249 PolarHBondContact O-N 3.17Å; V246-G249 PolarHBondContact O-N 3.49Å
250	L	88.3	Confident	94	Very high	14 Å²	14	31.1 Å²	31.1	7%	0.073	18%	0.177	C	C	.	.			trans	-91.6	137.3	177.6	-62.6	171.5	0	0	0	110.9	A209 L213 G245 L248 V252	A209-L250 HydrophobicContact CB-CD1 4.39Å; L213-L250 HydrophobicContact CB-CD2 4.39Å; G245-L250 PolarHBondContact O-N 2.95Å; G245-L250 VanDerWaalsContact O-N 3.11Å; L248-L250 VanDerWaalsContact C-N 3.31Å; L248-L250 HydrophobicContact CB-CD1 4.39Å; L248-L250 HydrophobicContact CB-CG 4.38Å; L250-V252 HydrophobicContact CB-CG2 3.62Å; L250-V252 PolarHBondContact O-N 2.81Å
251	K	93.3	Very high	94	Very high	95 Å²	95	31.5 Å²	31.5	41%	0.413	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	97.4	164.9	-60.7	178.7	-177.9	174.3	0	108.8	S214 T215 L216 I302	S214-K251 VanDerWaalsContact O-CB 3.3Å; S214-K251 WeakPolarHBondContact O-CB 3.49Å; T215-K251 WeakPolarHBondContact CA-O 3.21Å; L216-K251 PolarHBondContact N-O 3.23Å; K251-I302 HydrophobicContact CB-CG2 4.45Å
252	V	96	Very high	94	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	128.5	-178.8	-174.3	0	0	0	0	110.3	L205 L216 V218 V242 L250 P465	L205-V252 HydrophobicContact CD2-CG2 4.31Å; L216-V252 HydrophobicContact CB-CG2 4.23Å; L216-V252 HydrophobicContact CD2-CG1 4.09Å; L216-V252 HydrophobicContact CD2-CG2 3.97Å; L216-V252 HydrophobicContact CG-CG1 4.4Å; L216-V252 WeakPolarHBondContact O-CA 3.46Å; V218-V252 HydrophobicContact CG2-CG1 4.09Å; V242-V252 HydrophobicContact CG2-CG1 4.37Å; L250-V252 HydrophobicContact CB-CG2 3.62Å; L250-V252 PolarHBondContact O-N 2.81Å; V252-P465 VanDerWaalsContact O-CD 3.27Å; V252-P465 WeakPolarHBondContact O-CD 3.26Å; V252-P465 WeakPolarHBondContact O-CG 3.28Å
253	A	97.5	Very high	94.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	159.7	160.3	0	0	0	0	0	109.8	L216 V217 V218 I302 L462 V463 L464	L216-A253 PolarHBondContact O-N 3.15Å; V217-A253 CarbonylContact C-O 3.49Å; V217-A253 WeakPolarHBondContact CA-O 3.21Å; V217-A253 HydrophobicContact CG2-CB 4.42Å; V218-A253 PolarHBondContact N-O 3.24Å; A253-I302 HydrophobicContact CB-CD1 3.45Å; A253-I302 VanDerWaalsContact CB-CD1 3.45Å; A253-L462 HydrophobicContact CB-CD1 4.31Å; A253-V463 WeakPolarHBondContact CA-O 2.91Å; A253-V463 WeakPolarHBondContact CB-O 3.31Å; A253-L464 HydrophobicContact CB-CD2 4.14Å
254	A	98.1	Very high	94.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	130.5	177.3	0	0	0	0	0	110.8	V218 V220 A238 V242 V463	V218-A254 HydrophobicContact CB-CB 4.49Å; V218-A254 CarbonylContact O-C 3.43Å; V218-A254 WeakPolarHBondContact O-CA 3.26Å; V220-A254 HydrophobicContact CG2-CB 4.15Å; A238-A254 HydrophobicContact CB-CB 3.69Å; V242-A254 HydrophobicContact CG2-CB 4.01Å; A254-V463 HydrophobicContact CB-CB 4.43Å; A254-V463 PolarHBondContact N-O 3.03Å; A254-V463 WeakPolarHBondContact O-CA 3.21Å; A254-V463 WeakPolarHBondContact O-CB 3.47Å; A254-V463 PolarHBondContact O-N 3.19Å
255	A	98.5	Very high	94.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	129.5	175.4	0	0	0	0	0	109.8	V218 V220 T257 L295 F459 E461 L462	V218-A255 PolarHBondContact O-N 2.93Å; V220-A255 PolarHBondContact N-O 3.26Å; A255-T257 HydrophobicContact CB-CG2 4.3Å; A255-L295 HydrophobicContact CB-CD2 3.58Å; A255-F459 HydrophobicContact CB-CD2 4.23Å; A255-F459 HydrophobicContact CB-CE2 3.48Å; A255-F459 VanDerWaalsContact CB-CE2 3.48Å; A255-F459 HydrophobicContact CB-CZ 3.95Å; A255-E461 CarbonylContact C-O 3.41Å; A255-E461 WeakPolarHBondContact CA-O 3.45Å; A255-L462 HydrophobicContact CB-CD1 4.04Å
256	L	98.5	Very high	94.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	123.7	169.2	-69	173.9	0	0	0	109.5	V220 F222 A234 R235 A238 A460 E461	V220-L256 HydrophobicContact CB-CD2 4.01Å; V220-L256 HydrophobicContact CG1-CD2 3.86Å; V220-L256 WeakPolarHBondContact O-CA 3.46Å; F222-L256 HydrophobicContact CD1-CB 4.15Å; F222-L256 HydrophobicContact CE1-CB 4.16Å; A234-L256 HydrophobicContact CB-CD2 3.87Å; R235-L256 HydrophobicContact CB-CD1 3.82Å; R235-L256 HydrophobicContact CG-CD1 4.04Å; A238-L256 HydrophobicContact CB-CD2 4.22Å; L256-A460 PolarHBondContact O-N 2.74Å; L256-E461 HydrophobicContact CB-CB 4.24Å; L256-E461 HydrophobicContact CD1-CB 4.24Å; L256-E461 PolarHBondContact N-O 3.46Å; L256-E461 PolarHBondContact O-N 2.92Å
257	T	98.6	Very high	95	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	139.9	-178.8	73.1	0	0	0	0	112.4	D219 V220 K221 F222 A255 L291 P458 F459	D219-T257 WeakPolarHBondContact OD1-CG2 3.3Å; D219-T257 PolarHBondContact OD1-OG1 2.86Å; V220-T257 PolarHBondContact O-N 2.94Å; K221-T257 CarbonylContact C-O 3.55Å; K221-T257 VanDerWaalsContact CA-O 3.28Å; K221-T257 WeakPolarHBondContact CA-O 3.34Å; K221-T257 WeakPolarHBondContact CD-OG1 3.47Å; K221-T257 PolarHBondContact NZ-OG1 3.36Å; F222-T257 VanDerWaalsContact CD1-O 3.31Å; F222-T257 WeakPolarHBondContact CD1-O 3.46Å; F222-T257 VanDerWaalsContact CE1-C 3.47Å; F222-T257 PolarHBondContact N-O 3.41Å; A255-T257 HydrophobicContact CB-CG2 4.3Å; T257-L291 HydrophobicContact CG2-CD1 3.62Å; T257-P458 CarbonylContact C-O 3.55Å; T257-P458 WeakPolarHBondContact CA-O 3.29Å; T257-P458 WeakPolarHBondContact CB-O 3.25Å; T257-F459 HydrophobicContact CG2-CD2 4.17Å
258	A	97.6	Very high	95.6	Very high	31 Å²	31	24.6 Å²	24.6	26%	0.256	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	142.6	-177.4	0	0	0	0	0	111.7	F222 P458	F222-A258 HydrophobicContact CE1-CB 4.4Å; F222-A258 HydrophobicContact CE2-CB 4.28Å; F222-A258 HydrophobicContact CZ-CB 3.97Å; F222-A258 CarbonylContact O-C 3.52Å; A258-P458 PolarHBondContact N-O 3.1Å
259	M	97	Very high	96.3	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	14%	0.136	C	C	.	.			trans	-141.8	37.6	-176.4	-167.8	53.2	57.6	0	0	111	V107 K221 F222 A225 A226 L263	V107-M259 HydrophobicContact CB-SD 4.43Å; V107-M259 PolarHBondContact N-SD 3.13Å; K221-M259 HydrophobicContact CB-CB 3.95Å; K221-M259 HydrophobicContact CB-CG 4.34Å; K221-M259 HydrophobicContact CD-CE 3.74Å; K221-M259 HydrophobicContact CG-CB 4.41Å; K221-M259 HydrophobicContact CG-CE 4.14Å; K221-M259 HydrophobicContact CG-CG 4.46Å; F222-M259 WeakPolarHBondContact O-CA 3.42Å; F222-M259 WeakPolarHBondContact O-CB 3.46Å; F222-M259 PolarHBondContact O-N 3.28Å; A225-M259 HydrophobicContact CB-CG 4.29Å; A225-M259 WeakPolarHBondContact CB-O 3.45Å; A225-M259 PolarHBondContact N-O 2.88Å; A226-M259 HydrophobicContact CB-CB 4.24Å; M259-L263 HydrophobicContact CE-CB 4.49Å
260	D	95.4	Very high	96.9	Very high	74 Å²	74	19.4 Å²	19.4	40%	0.396	10%	0.102	S	C	.	.	S	Bend	trans	-76.6	-38.3	170.9	-62.8	-67.4	0	0	0	111.6	G223 G224 A380	G223-D260 VanDerWaalsContact CA-OD1 3.32Å; G223-D260 WeakPolarHBondContact CA-OD1 3.38Å; G224-D260 PolarHBondContact N-OD1 3.02Å; D260-A380 WeakPolarHBondContact O-CB 3.35Å; D260-A380 PolarHBondContact O-N 3.05Å
261	N	96.4	Very high	97.4	Very high	50 Å²	50	18.9 Å²	18.9	27%	0.267	10%	0.099	S	C	.	.	S	Bend	trans	-101.8	153.5	173.9	-59.2	-78.5	0	0	0	110.1	L263 C377 V378	N261-L263 PolarHBondContact O-N 3.12Å; N261-C377 VanDerWaalsContact OD1-CA 3.25Å; N261-C377 WeakPolarHBondContact OD1-CA 3.16Å; N261-C377 WeakPolarHBondContact OD1-CB 3.36Å; N261-V378 WeakPolarHBondContact CA-O 3.37Å; N261-V378 PolarHBondContact OD1-N 2.75Å; N261-V378 PolarHBondContact OD1-O 2.89Å
262	P	97.6	Very high	97.7	Very high	7 Å²	7	14.5 Å²	14.5	5%	0.045	8%	0.08	C	C	.	.	P	Polyproline II helix	trans	-55.8	140.5	164.4	-22.5	33.2	0	0	0	109.9	V107 G264 V267 V378 A380 L383	V107-P262 HydrophobicContact CG1-CB 4.37Å; V107-P262 HydrophobicContact CG1-CG 4.42Å; V107-P262 WeakPolarHBondContact O-CA 3.46Å; P262-G264 PolarHBondContact O-N 2.9Å; P262-V267 HydrophobicContact CB-CG2 3.55Å; P262-V267 HydrophobicContact CG-CG2 3.97Å; P262-V378 WeakPolarHBondContact CD-O 3.3Å; P262-A380 HydrophobicContact CG-CB 4.19Å; P262-L383 HydrophobicContact CG-CD2 3.8Å
263	L	97.9	Very high	97.8	Very high	5 Å²	5	14.5 Å²	14.5	3%	0.026	8%	0.08	C	C	.	.	S	Bend	trans	-74.6	125.6	170.8	-177.4	77.8	0	0	0	109	V107 G108 K110 V111 M259 N261 D287 L288 L291 P458	V107-L263 PolarHBondContact O-N 2.71Å; V107-L263 VanDerWaalsContact O-N 3.09Å; G108-L263 WeakPolarHBondContact O-CB 3.44Å; K110-L263 PolarHBondContact NZ-O 3.4Å; V111-L263 HydrophobicContact CG2-CD2 3.42Å; V111-L263 VanDerWaalsContact CG2-CD2 3.42Å; M259-L263 HydrophobicContact CE-CB 4.49Å; N261-L263 PolarHBondContact O-N 3.12Å; L263-D287 HydrophobicContact CD1-CB 4.31Å; L263-L288 HydrophobicContact CD2-CD1 3.88Å; L263-L288 HydrophobicContact CG-CB 4.48Å; L263-L288 HydrophobicContact CG-CD1 4.41Å; L263-L291 HydrophobicContact CD1-CD2 4.05Å; L263-L291 HydrophobicContact CD2-CD2 3.95Å; L263-P458 HydrophobicContact CD1-CG 4.26Å
264	G	97.8	Very high	97.9	Very high	10 Å²	10	15.4 Å²	15.4	10%	0.103	8%	0.084	C	C	.	.	S	Bend	trans	72	-153.1	-171.8	0	0	0	0	0	113.1	P262 E275 D287	P262-G264 PolarHBondContact O-N 2.9Å; G264-E275 WeakPolarHBondContact CA-OE1 3.42Å; G264-D287 PolarHBondContact N-OD1 3.23Å; G264-D287 PolarHBondContact N-OD2 3.43Å
265	R	98.1	Very high	97.9	Very high	92 Å²	92	16 Å²	16	35%	0.347	9%	0.087	S	C	.	.	S	Bend	trans	-112.1	-10.4	-177.7	-64.2	-176.4	178	-171.7	5.5	113.2	E275 P285 E408 V409 D412	R265-E275 WeakPolarHBondContact CA-OE2 3.32Å; R265-E275 VanDerWaalsContact CB-OE2 3.32Å; R265-E275 WeakPolarHBondContact CB-OE2 3.37Å; R265-E275 PolarHBondContact N-OE1 2.82Å; R265-E275 PolarHBondContact N-OE2 3.46Å; R265-P285 HydrophobicContact CG-CG 4.26Å; R265-E408 CarbonylContact O-C 3.57Å; R265-E408 WeakPolarHBondContact O-CA 3.43Å; R265-V409 HydrophobicContact CB-CB 4.45Å; R265-V409 PolarHBondContact O-N 2.92Å; R265-D412 IonicContact CZ-OD1 2.82Å; R265-D412 VanDerWaalsContact CZ-OD1 3.28Å; R265-D412 IonicContact CZ-OD2 3.3Å; R265-D412 IonicContact NE-OD1 2.66Å; R265-D412 PolarHBondContact NE-OD1 2.91Å; R265-D412 IonicContact NH2-OD1 3.56Å; R265-D412 PolarHBondContact NH2-OD1 3.18Å; R265-D412 IonicContact NH2-OD2 2.91Å; R265-D412 PolarHBondContact NH2-OD2 3.13Å
266	S	98.4	Very high	97.9	Very high	10 Å²	10	16 Å²	16	7%	0.07	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	130.8	-173.6	-58.8	0	0	0	0	111.7	K110 L271 E272 E275	K110-S266 PolarHBondContact NZ-O 3.29Å; S266-L271 WeakPolarHBondContact CB-O 3.44Å; S266-E272 WeakPolarHBondContact O-CG 3.41Å; S266-E275 PolarHBondContact N-OE1 3.03Å; S266-E275 VanDerWaalsContact N-OE1 3.15Å; S266-E275 PolarHBondContact N-OE2 3.36Å; S266-E275 PolarHBondContact OG-OE2 2.92Å
267	V	98.4	Very high	97.9	Very high	10 Å²	10	16 Å²	16	6%	0.061	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	124.3	173.4	-175	0	0	0	0	109.4	V107 P262 L383 L387 G406 A407	V107-V267 HydrophobicContact CG1-CB 4.49Å; V107-V267 HydrophobicContact CG1-CG1 3.63Å; V107-V267 HydrophobicContact CG1-CG2 3.96Å; P262-V267 HydrophobicContact CB-CG2 3.55Å; P262-V267 HydrophobicContact CG-CG2 3.97Å; V267-L383 HydrophobicContact CB-CD2 4.25Å; V267-L383 HydrophobicContact CG2-CD2 3.76Å; V267-L387 HydrophobicContact CB-CD1 3.85Å; V267-L387 HydrophobicContact CG1-CD1 3.58Å; V267-G406 CarbonylContact O-C 3.57Å; V267-G406 WeakPolarHBondContact O-CA 3.41Å; V267-A407 PolarHBondContact N-O 3.41Å; V267-A407 PolarHBondContact O-N 2.95Å
268	G	97.1	Very high	97.9	Very high	7 Å²	7	18.8 Å²	18.8	7%	0.072	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	143.2	-153.2	-176.2	0	0	0	0	0	111.5	E272	G268-E272 PolarHBondContact N-OE1 2.99Å; G268-E272 WeakPolarHBondContact O-CB 3.43Å; G268-E272 WeakPolarHBondContact O-CG 3.5Å
269	H	97.4	Very high	98	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.009	9%	0.09	C	C	.	.	S	Bend	trans	-105	-70.4	-179.9	-56.6	98.7	0	0	0	111.4	D142 L271 E272 V273 A392 I401 P403	D142-H269 VanDerWaalsContact CB-CD2 3.48Å; D142-H269 WeakPolarHBondContact CB-CD2 3.34Å; D142-H269 WeakPolarHBondContact CB-NE2 3.48Å; D142-H269 PolarHBondContact O-CD2 2.64Å; H269-L271 PolarHBondContact O-N 2.99Å; H269-E272 PolarHBondContact O-N 2.73Å; H269-E272 VanDerWaalsContact O-N 3.14Å; H269-V273 PolarHBondContact O-N 2.9Å; H269-V273 VanDerWaalsContact O-N 3.13Å; H269-A392 PolarHBondContact CE1-O 3.04Å; H269-I401 WeakPolarHBondContact CE1-CG2 3.21Å; H269-I401 WeakPolarHBondContact ND1-CG2 3.25Å; H269-P403 HydrophobicContact CB-CB 4.13Å
270	T	97.9	Very high	98	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-56.8	-49.4	-179.8	-63.5	0	0	0	0	111.5	E272 V273 E274 L358 P359 P403	T270-E272 PolarHBondContact O-N 3.3Å; T270-V273 WeakPolarHBondContact O-CB 3.04Å; T270-V273 PolarHBondContact O-N 3.4Å; T270-E274 WeakPolarHBondContact O-CG 3.29Å; T270-E274 PolarHBondContact O-N 3.36Å; T270-L358 HydrophobicContact CG2-CB 3.51Å; T270-L358 HydrophobicContact CG2-CD1 4.06Å; T270-L358 HydrophobicContact CG2-CG 4.41Å; T270-P359 WeakPolarHBondContact CB-O 3.48Å; T270-P359 WeakPolarHBondContact CG2-O 3.32Å; T270-P359 PolarHBondContact OG1-O 3.4Å; T270-P403 PolarHBondContact N-O 3.38Å; T270-P403 PolarHBondContact OG1-O 2.78Å
271	L	98.4	Very high	98.2	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.01	8%	0.084	C	C	.	.	H	α-helix	trans	-59.3	-34.8	-179	-58.5	174.7	0	0	0	112.1	S266 H269 E274 E275 E408	S266-L271 WeakPolarHBondContact CB-O 3.44Å; H269-L271 PolarHBondContact O-N 2.99Å; L271-E274 PolarHBondContact O-N 3.5Å; L271-E275 PolarHBondContact O-N 2.67Å; L271-E408 HydrophobicContact CD1-CG 4.2Å; L271-E408 HydrophobicContact CD2-CG 4.3Å
272	E	98.7	Very high	98.2	Very high	4 Å²	4	15.1 Å²	15.1	2%	0.019	8%	0.084	C	C	.	.	H	α-helix	trans	-74.1	-31.5	177.9	-73.3	-165.4	-134.6	0	0	112.9	G108 K110 K143 S266 G268 H269 T270 A276	G108-E272 WeakPolarHBondContact CA-OE1 3.33Å; K110-E272 HydrophobicContact CB-CB 4.15Å; K110-E272 HydrophobicContact CD-CB 4.08Å; K110-E272 HydrophobicContact CD-CG 4.16Å; K110-E272 WeakPolarHBondContact CE-OE2 3.42Å; K143-E272 HydrophobicContact CD-CB 4.16Å; K143-E272 VanDerWaalsContact CE-OE2 3.25Å; K143-E272 WeakPolarHBondContact CE-OE2 3.42Å; K143-E272 HydrophobicContact CG-CB 4.47Å; K143-E272 IonicContact NZ-OE1 3.59Å; K143-E272 IonicContact NZ-OE2 3.07Å; K143-E272 PolarHBondContact NZ-OE2 3.06Å; S266-E272 WeakPolarHBondContact O-CG 3.41Å; G268-E272 PolarHBondContact N-OE1 2.99Å; G268-E272 WeakPolarHBondContact O-CB 3.43Å; G268-E272 WeakPolarHBondContact O-CG 3.5Å; H269-E272 PolarHBondContact O-N 2.73Å; H269-E272 VanDerWaalsContact O-N 3.14Å; T270-E272 PolarHBondContact O-N 3.3Å; E272-A276 VanDerWaalsContact O-CB 3.3Å; E272-A276 WeakPolarHBondContact O-CB 3.31Å; E272-A276 PolarHBondContact O-N 3.08Å
273	V	98.7	Very high	98.1	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-65	-42.7	170.2	172.4	0	0	0	0	110.6	L113 K143 S146 I147 H269 T270 A276 L277 L358	L113-V273 HydrophobicContact CD2-CG2 3.89Å; K143-V273 HydrophobicContact CB-CG2 4.4Å; K143-V273 VanDerWaalsContact O-CG2 3.22Å; K143-V273 WeakPolarHBondContact O-CG2 3.49Å; S146-V273 WeakPolarHBondContact OG-CG2 3.39Å; I147-V273 HydrophobicContact CD1-CG1 3.83Å; I147-V273 HydrophobicContact CD1-CG2 4.45Å; I147-V273 HydrophobicContact CG1-CG1 3.94Å; I147-V273 HydrophobicContact CG1-CG2 4.36Å; H269-V273 PolarHBondContact O-N 2.9Å; H269-V273 VanDerWaalsContact O-N 3.13Å; T270-V273 WeakPolarHBondContact O-CB 3.04Å; T270-V273 PolarHBondContact O-N 3.4Å; V273-A276 PolarHBondContact O-N 3.3Å; V273-L277 HydrophobicContact CG1-CD1 4.23Å; V273-L277 WeakPolarHBondContact O-CG 3.21Å; V273-L277 PolarHBondContact O-N 3.39Å; V273-L358 HydrophobicContact CB-CD1 4.5Å; V273-L358 HydrophobicContact CG1-CD1 4.07Å
274	E	98.5	Very high	98	Very high	18 Å²	18	18.2 Å²	18.2	8%	0.084	11%	0.114	C	C	.	.	H	α-helix	trans	-63.1	-44.2	178.4	-66.3	-177	148.9	0	0	112.4	T270 L271 L277 L278 R355 L358 H360	T270-E274 WeakPolarHBondContact O-CG 3.29Å; T270-E274 PolarHBondContact O-N 3.36Å; L271-E274 PolarHBondContact O-N 3.5Å; E274-L277 WeakPolarHBondContact O-CB 3.44Å; E274-L277 PolarHBondContact O-N 3.3Å; E274-L278 PolarHBondContact O-N 3.16Å; E274-R355 WeakPolarHBondContact OE1-CA 3.34Å; E274-R355 WeakPolarHBondContact OE1-CG 3.33Å; E274-R355 PolarHBondContact OE1-N 3.1Å; E274-L358 HydrophobicContact CG-CD1 3.71Å; E274-H360 IonicContact OE1-CE1 3.44Å; E274-H360 PolarHBondContact OE1-CE1 3.42Å; E274-H360 IonicContact OE1-NE2 3.9Å; E274-H360 PolarHBondContact OE1-NE2 3.29Å; E274-H360 IonicContact OE2-CE1 3.79Å
275	E	98.7	Very high	97.9	Very high	12 Å²	12	18 Å²	18	6%	0.056	11%	0.111	C	C	.	.	H	α-helix	trans	-69.8	-33.2	177.7	-169.6	167	87	0	0	112.3	K110 G264 R265 S266 L271 L278 C279 P285 L288	K110-E275 HydrophobicContact CD-CB 3.98Å; K110-E275 HydrophobicContact CD-CG 4.13Å; K110-E275 WeakPolarHBondContact CD-OE1 3.49Å; K110-E275 IonicContact NZ-OE1 3.31Å; K110-E275 PolarHBondContact NZ-OE1 3.23Å; G264-E275 WeakPolarHBondContact CA-OE1 3.42Å; R265-E275 WeakPolarHBondContact CA-OE2 3.32Å; R265-E275 VanDerWaalsContact CB-OE2 3.32Å; R265-E275 WeakPolarHBondContact CB-OE2 3.37Å; R265-E275 PolarHBondContact N-OE1 2.82Å; R265-E275 PolarHBondContact N-OE2 3.46Å; S266-E275 PolarHBondContact N-OE1 3.03Å; S266-E275 VanDerWaalsContact N-OE1 3.15Å; S266-E275 PolarHBondContact N-OE2 3.36Å; S266-E275 PolarHBondContact OG-OE2 2.92Å; L271-E275 PolarHBondContact O-N 2.67Å; E275-L278 WeakPolarHBondContact O-CB 3.46Å; E275-L278 PolarHBondContact O-N 3.5Å; E275-C279 PolarHBondContact O-N 3.5Å; E275-P285 VanDerWaalsContact CD-CG 3.5Å; E275-P285 HydrophobicContact CG-CG 3.86Å; E275-L288 HydrophobicContact CG-CD2 4.23Å
276	A	98.8	Very high	97.8	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.4	-43.7	170	0	0	0	0	0	111.6	K110 L113 V114 E272 V273 L278 C279 L280	K110-A276 HydrophobicContact CG-CB 4.29Å; L113-A276 HydrophobicContact CB-CB 3.8Å; V114-A276 HydrophobicContact CG2-CB 3.74Å; E272-A276 VanDerWaalsContact O-CB 3.3Å; E272-A276 WeakPolarHBondContact O-CB 3.31Å; E272-A276 PolarHBondContact O-N 3.08Å; V273-A276 PolarHBondContact O-N 3.3Å; A276-L278 VanDerWaalsContact C-N 3.31Å; A276-L278 PolarHBondContact O-N 3.01Å; A276-C279 WeakPolarHBondContact O-CB 3.42Å; A276-C279 PolarHBondContact O-N 2.99Å; A276-L280 WeakPolarHBondContact O-CG 3.49Å; A276-L280 PolarHBondContact O-N 2.77Å
277	L	98.8	Very high	97.8	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-62.9	-37.6	174.3	-78.7	167.9	0	0	0	112.1	V273 E274 C279 L280 D281 F329 L346 R354	V273-L277 HydrophobicContact CG1-CD1 4.23Å; V273-L277 WeakPolarHBondContact O-CG 3.21Å; V273-L277 PolarHBondContact O-N 3.39Å; E274-L277 WeakPolarHBondContact O-CB 3.44Å; E274-L277 PolarHBondContact O-N 3.3Å; L277-C279 VanDerWaalsContact C-N 3.31Å; L277-C279 PolarHBondContact O-N 3.49Å; L277-L280 HydrophobicContact CD2-CD1 4.42Å; L277-L280 CarbonylContact O-C 3.46Å; L277-L280 PolarHBondContact O-N 3.34Å; L277-D281 VanDerWaalsContact O-CG 3.3Å; L277-D281 PolarHBondContact O-N 3.45Å; L277-F329 HydrophobicContact CD2-CD1 3.76Å; L277-F329 HydrophobicContact CD2-CE1 3.71Å; L277-F329 HydrophobicContact CG-CE1 4.2Å; L277-L346 HydrophobicContact CD1-CB 4.39Å; L277-R354 HydrophobicContact CD1-CG 4.28Å
278	L	98.4	Very high	97.8	Very high	58 Å²	58	19.4 Å²	19.4	30%	0.304	13%	0.13	S	C	.	.	H	α-helix	trans	-63.6	-38.3	173.9	-171.3	65.7	0	0	0	111.7	E274 E275 A276 D281 A283 P351	E274-L278 PolarHBondContact O-N 3.16Å; E275-L278 WeakPolarHBondContact O-CB 3.46Å; E275-L278 PolarHBondContact O-N 3.5Å; A276-L278 VanDerWaalsContact C-N 3.31Å; A276-L278 PolarHBondContact O-N 3.01Å; L278-D281 PolarHBondContact O-N 2.95Å; L278-A283 HydrophobicContact CD1-CB 3.97Å; L278-A283 HydrophobicContact CG-CB 4.13Å; L278-A283 CarbonylContact O-C 3.53Å; L278-A283 WeakPolarHBondContact O-CA 3.48Å; L278-A283 PolarHBondContact O-N 3.49Å; L278-A283 VanDerWaalsContact O-N 3.09Å; L278-P351 HydrophobicContact CD1-CG 4.24Å
279	C	98.7	Very high	97.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.3	-40.3	172.8	-166.5	0	0	0	0	112.3	V114 E275 A276 L277 D281 G282 A283 L288	V114-C279 HydrophobicContact CG1-CB 4.32Å; V114-C279 HydrophobicContact CG2-CB 3.98Å; E275-C279 PolarHBondContact O-N 3.5Å; A276-C279 WeakPolarHBondContact O-CB 3.42Å; A276-C279 PolarHBondContact O-N 2.99Å; L277-C279 VanDerWaalsContact C-N 3.31Å; L277-C279 PolarHBondContact O-N 3.49Å; C279-D281 PolarHBondContact O-N 2.62Å; C279-G282 PolarHBondContact O-N 2.9Å; C279-A283 WeakPolarHBondContact CA-O 3.11Å; C279-L288 HydrophobicContact CB-CD2 3.96Å
280	L	98.7	Very high	97.9	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-68.2	-15.8	174.8	-70.3	168.3	0	0	0	113.7	V114 P117 A276 L277 L320 A325 R326 F329	V114-L280 HydrophobicContact CG1-CD2 3.87Å; V114-L280 HydrophobicContact CG1-CG 4.15Å; P117-L280 HydrophobicContact CG-CD2 4.15Å; A276-L280 WeakPolarHBondContact O-CG 3.49Å; A276-L280 PolarHBondContact O-N 2.77Å; L277-L280 HydrophobicContact CD2-CD1 4.42Å; L277-L280 CarbonylContact O-C 3.46Å; L277-L280 PolarHBondContact O-N 3.34Å; L280-L320 HydrophobicContact CD2-CD2 4.14Å; L280-A325 HydrophobicContact CD2-CB 3.6Å; L280-R326 HydrophobicContact CB-CB 4.05Å; L280-R326 HydrophobicContact CB-CG 4.31Å; L280-F329 HydrophobicContact CD1-CB 3.78Å; L280-F329 HydrophobicContact CD1-CD1 3.95Å; L280-F329 HydrophobicContact CD1-CD2 4.17Å; L280-F329 HydrophobicContact CD1-CG 3.7Å
281	D	97.9	Very high	97.9	Very high	53 Å²	53	23.1 Å²	23.1	28%	0.283	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	4.1	169.5	-65.1	-37.4	0	0	0	113.1	L277 L278 C279 A283 R326 R354	L277-D281 VanDerWaalsContact O-CG 3.3Å; L277-D281 PolarHBondContact O-N 3.45Å; L278-D281 PolarHBondContact O-N 2.95Å; C279-D281 PolarHBondContact O-N 2.62Å; D281-A283 VanDerWaalsContact C-N 3.31Å; D281-R326 WeakPolarHBondContact OD1-CD 3.4Å; D281-R326 IonicContact OD1-CZ 3.15Å; D281-R326 IonicContact OD1-NE 2.83Å; D281-R326 IonicContact OD1-NH1 2.73Å; D281-R326 PolarHBondContact OD1-NH1 2.59Å; D281-R354 VanDerWaalsContact CG-NH2 3.26Å; D281-R354 IonicContact OD1-NH2 3.64Å; D281-R354 PolarHBondContact OD1-NH2 3.18Å; D281-R354 IonicContact OD2-CZ 2.77Å; D281-R354 IonicContact OD2-NH1 2.65Å; D281-R354 PolarHBondContact OD2-NH1 3.38Å; D281-R354 IonicContact OD2-NH2 2.97Å; D281-R354 PolarHBondContact OD2-NH2 3.33Å
282	G	96.9	Very high	97.9	Very high	26 Å²	26	23 Å²	23	27%	0.268	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	9.3	-173.6	0	0	0	0	0	113.9	C279 L320	C279-G282 PolarHBondContact O-N 2.9Å; G282-L320 PolarHBondContact N-O 2.98Å
283	A	96.3	Very high	97.9	Very high	45 Å²	45	24.2 Å²	24.2	37%	0.372	15%	0.15	S	C	.	.			trans	-115.2	-155.8	-178.5	0	0	0	0	0	111.7	L278 C279 D281	L278-A283 HydrophobicContact CD1-CB 3.97Å; L278-A283 HydrophobicContact CG-CB 4.13Å; L278-A283 CarbonylContact O-C 3.53Å; L278-A283 WeakPolarHBondContact O-CA 3.48Å; L278-A283 PolarHBondContact O-N 3.49Å; L278-A283 VanDerWaalsContact O-N 3.09Å; C279-A283 WeakPolarHBondContact CA-O 3.11Å; D281-A283 VanDerWaalsContact C-N 3.31Å
284	G	95	Very high	97.9	Very high	32 Å²	32	28.9 Å²	28.9	33%	0.33	17%	0.168	S	C	.	.	S	Bend	trans	88.5	-172.8	173	0	0	0	0	0	115
285	P	96.6	Very high	97.9	Very high	7 Å²	7	28 Å²	28	5%	0.045	16%	0.164	C	C	.	.			trans	-63.4	134.6	-173.2	-24.1	34.9	0	0	0	112.8	R265 E275 D287 L288 R289	R265-P285 HydrophobicContact CG-CG 4.26Å; E275-P285 VanDerWaalsContact CD-CG 3.5Å; E275-P285 HydrophobicContact CG-CG 3.86Å; P285-D287 VanDerWaalsContact C-N 3.31Å; P285-D287 WeakPolarHBondContact CB-OD1 3.25Å; P285-D287 PolarHBondContact O-N 3.22Å; P285-L288 HydrophobicContact CB-CB 4.26Å; P285-L288 PolarHBondContact O-N 2.98Å; P285-R289 PolarHBondContact O-N 2.95Å; P285-R289 VanDerWaalsContact O-N 3.13Å
286	P	96.4	Very high	97.9	Very high	100 Å²	100	27.4 Å²	27.4	65%	0.649	16%	0.161	S	C	*	.	H	α-helix	trans	-60.8	-35.6	-177.7	-25.4	34.2	0	0	0	114.3	R289 D290	P286-R289 PolarHBondContact O-N 3.43Å; P286-D290 WeakPolarHBondContact O-CB 3.06Å; P286-D290 PolarHBondContact O-N 3.31Å
287	D	97.4	Very high	97.9	Very high	41 Å²	41	27.4 Å²	27.4	22%	0.219	16%	0.161	C	C	.	.	H	α-helix	trans	-70.3	-41.5	-179.3	64.2	-37	0	0	0	112.3	L263 G264 P285 L291 P458	L263-D287 HydrophobicContact CD1-CB 4.31Å; G264-D287 PolarHBondContact N-OD1 3.23Å; G264-D287 PolarHBondContact N-OD2 3.43Å; P285-D287 VanDerWaalsContact C-N 3.31Å; P285-D287 WeakPolarHBondContact CB-OD1 3.25Å; P285-D287 PolarHBondContact O-N 3.22Å; D287-L291 WeakPolarHBondContact O-CB 3.41Å; D287-L291 PolarHBondContact O-N 3.45Å; D287-P458 HydrophobicContact CB-CG 4.42Å
288	L	98.4	Very high	97.9	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-59.5	-50.2	171.4	173.4	60.4	0	0	0	110.5	K110 V111 L263 E275 C279 P285 L291 V292	K110-L288 HydrophobicContact CD-CD2 3.99Å; K110-L288 HydrophobicContact CG-CD1 3.92Å; K110-L288 HydrophobicContact CG-CD2 3.8Å; V111-L288 HydrophobicContact CG2-CD1 3.97Å; L263-L288 HydrophobicContact CD2-CD1 3.88Å; L263-L288 HydrophobicContact CG-CB 4.48Å; L263-L288 HydrophobicContact CG-CD1 4.41Å; E275-L288 HydrophobicContact CG-CD2 4.23Å; C279-L288 HydrophobicContact CB-CD2 3.96Å; P285-L288 HydrophobicContact CB-CB 4.26Å; P285-L288 PolarHBondContact O-N 2.98Å; L288-L291 PolarHBondContact O-N 3.49Å; L288-V292 HydrophobicContact CD1-CG2 4.12Å; L288-V292 VanDerWaalsContact O-CG2 3.31Å; L288-V292 WeakPolarHBondContact O-CG2 3.36Å; L288-V292 PolarHBondContact O-N 3.44Å
289	R	98.3	Very high	97.9	Very high	49 Å²	49	24.6 Å²	24.6	19%	0.185	15%	0.146	C	C	.	.	H	α-helix	trans	-61.8	-46.8	-179.5	-179.6	177.1	174.1	97	1.5	111.6	P285 P286 L291 V292 I293 L320 D321	P285-R289 PolarHBondContact O-N 2.95Å; P285-R289 VanDerWaalsContact O-N 3.13Å; P286-R289 PolarHBondContact O-N 3.43Å; R289-L291 VanDerWaalsContact C-N 3.3Å; R289-L291 PolarHBondContact O-N 2.67Å; R289-V292 PolarHBondContact O-N 2.83Å; R289-I293 HydrophobicContact CG-CD1 3.66Å; R289-I293 HydrophobicContact CG-CG1 4.44Å; R289-I293 WeakPolarHBondContact O-CB 3.31Å; R289-I293 VanDerWaalsContact O-CG1 3.31Å; R289-I293 WeakPolarHBondContact O-CG1 3.4Å; R289-I293 PolarHBondContact O-N 3.33Å; R289-L320 HydrophobicContact CG-CD1 4.41Å; R289-D321 IonicContact CZ-OD1 2.67Å; R289-D321 IonicContact CZ-OD2 3.8Å; R289-D321 IonicContact NH1-OD1 3.64Å; R289-D321 PolarHBondContact NH1-OD1 3.41Å; R289-D321 IonicContact NH2-OD1 2.72Å; R289-D321 PolarHBondContact NH2-OD1 3.15Å; R289-D321 IonicContact NH2-OD2 2.77Å; R289-D321 PolarHBondContact NH2-OD2 2.92Å
290	D	97.9	Very high	97.9	Very high	38 Å²	38	24.6 Å²	24.6	20%	0.203	15%	0.146	C	C	.	.	H	α-helix	trans	-56.7	-45.5	177.3	177.5	73.9	0	0	0	111.1	P286 I293 R294 S457	P286-D290 WeakPolarHBondContact O-CB 3.06Å; P286-D290 PolarHBondContact O-N 3.31Å; D290-I293 PolarHBondContact O-N 2.95Å; D290-R294 VanDerWaalsContact CG-NE 3.3Å; D290-R294 WeakPolarHBondContact O-CB 3.31Å; D290-R294 VanDerWaalsContact O-CG 3.3Å; D290-R294 WeakPolarHBondContact O-CG 3.43Å; D290-R294 PolarHBondContact O-N 3.11Å; D290-R294 IonicContact OD1-CZ 3.48Å; D290-R294 IonicContact OD1-NE 2.77Å; D290-R294 PolarHBondContact OD1-NE 2.79Å; D290-R294 IonicContact OD1-NH2 2.66Å; D290-R294 PolarHBondContact OD1-NH2 2.92Å; D290-R294 WeakPolarHBondContact OD2-CD 3.47Å; D290-R294 IonicContact OD2-NE 2.69Å; D290-R294 PolarHBondContact OD2-NE 2.91Å; D290-R294 VanDerWaalsContact OD2-NE 3.14Å; D290-S457 VanDerWaalsContact OD2-CB 3.28Å; D290-S457 WeakPolarHBondContact OD2-CB 3.23Å; D290-S457 PolarHBondContact OD2-OG 3.42Å
291	L	98.3	Very high	97.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-69.5	-40.8	-178.8	-171	57.7	0	0	0	112.9	V111 T257 L263 D287 L288 R289 I293 R294 L295 P458 F459	V111-L291 HydrophobicContact CG2-CB 4.44Å; V111-L291 HydrophobicContact CG2-CD2 3.83Å; V111-L291 HydrophobicContact CG2-CG 4.09Å; T257-L291 HydrophobicContact CG2-CD1 3.62Å; L263-L291 HydrophobicContact CD1-CD2 4.05Å; L263-L291 HydrophobicContact CD2-CD2 3.95Å; D287-L291 WeakPolarHBondContact O-CB 3.41Å; D287-L291 PolarHBondContact O-N 3.45Å; L288-L291 PolarHBondContact O-N 3.49Å; R289-L291 VanDerWaalsContact C-N 3.3Å; R289-L291 PolarHBondContact O-N 2.67Å; L291-I293 VanDerWaalsContact C-N 3.34Å; L291-I293 PolarHBondContact O-N 3.41Å; L291-R294 PolarHBondContact O-N 2.9Å; L291-L295 HydrophobicContact CD1-CD1 3.73Å; L291-L295 HydrophobicContact CD1-CD2 4.45Å; L291-L295 HydrophobicContact CD1-CG 3.82Å; L291-L295 HydrophobicContact CD2-CD1 4.44Å; L291-L295 HydrophobicContact CG-CD1 3.74Å; L291-L295 HydrophobicContact CG-CG 4.27Å; L291-L295 WeakPolarHBondContact O-CB 3.25Å; L291-L295 VanDerWaalsContact O-CG 3.29Å; L291-L295 WeakPolarHBondContact O-CG 3.36Å; L291-L295 PolarHBondContact O-N 3.45Å; L291-P458 HydrophobicContact CB-CG 4.28Å; L291-F459 HydrophobicContact CD1-CB 4.43Å; L291-F459 HydrophobicContact CD1-CD2 4.02Å
292	V	98.8	Very high	97.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-56.8	-49.2	173	168.6	0	0	0	0	110.4	V111 V114 L115 L288 R289 G296 V316 L320	V111-V292 HydrophobicContact CB-CG2 4.39Å; V111-V292 HydrophobicContact CG1-CG2 3.94Å; V111-V292 HydrophobicContact CG2-CG2 4.41Å; V114-V292 HydrophobicContact CB-CG1 4.43Å; V114-V292 HydrophobicContact CB-CG2 3.92Å; V114-V292 HydrophobicContact CG1-CG1 3.85Å; V114-V292 HydrophobicContact CG1-CG2 4Å; L115-V292 HydrophobicContact CB-CG1 4.49Å; L115-V292 HydrophobicContact CD1-CG1 4.21Å; L288-V292 HydrophobicContact CD1-CG2 4.12Å; L288-V292 VanDerWaalsContact O-CG2 3.31Å; L288-V292 WeakPolarHBondContact O-CG2 3.36Å; L288-V292 PolarHBondContact O-N 3.44Å; R289-V292 PolarHBondContact O-N 2.83Å; V292-G296 PolarHBondContact O-N 2.9Å; V292-V316 HydrophobicContact CG1-CG1 4.11Å; V292-L320 HydrophobicContact CG1-CD1 4.07Å
293	I	98.6	Very high	97.6	Very high	29 Å²	29	23.5 Å²	23.5	15%	0.149	13%	0.131	C	C	.	.	H	α-helix	trans	-63.7	-47.2	-178.3	-74	170.1	0	0	0	111.3	R289 D290 L291 G297 A313 V316 A317 L320	R289-I293 HydrophobicContact CG-CD1 3.66Å; R289-I293 HydrophobicContact CG-CG1 4.44Å; R289-I293 WeakPolarHBondContact O-CB 3.31Å; R289-I293 VanDerWaalsContact O-CG1 3.31Å; R289-I293 WeakPolarHBondContact O-CG1 3.4Å; R289-I293 PolarHBondContact O-N 3.33Å; D290-I293 PolarHBondContact O-N 2.95Å; L291-I293 VanDerWaalsContact C-N 3.34Å; L291-I293 PolarHBondContact O-N 3.41Å; I293-G297 PolarHBondContact O-N 3.05Å; I293-A313 HydrophobicContact CG2-CB 3.5Å; I293-V316 HydrophobicContact CG1-CG1 4.41Å; I293-A317 HydrophobicContact CD1-CB 3.67Å; I293-A317 HydrophobicContact CG1-CB 4.04Å; I293-L320 HydrophobicContact CG1-CD1 4.27Å
294	R	98.5	Very high	97.5	Very high	97 Å²	97	24.3 Å²	24.3	37%	0.366	14%	0.144	S	C	.	.	H	α-helix	trans	-67.5	-43.7	-177.3	-73.1	176.2	-176.7	-86.4	-6.4	112.9	D290 L291 A298 Q309 F459	D290-R294 VanDerWaalsContact CG-NE 3.3Å; D290-R294 WeakPolarHBondContact O-CB 3.31Å; D290-R294 VanDerWaalsContact O-CG 3.3Å; D290-R294 WeakPolarHBondContact O-CG 3.43Å; D290-R294 PolarHBondContact O-N 3.11Å; D290-R294 IonicContact OD1-CZ 3.48Å; D290-R294 IonicContact OD1-NE 2.77Å; D290-R294 PolarHBondContact OD1-NE 2.79Å; D290-R294 IonicContact OD1-NH2 2.66Å; D290-R294 PolarHBondContact OD1-NH2 2.92Å; D290-R294 WeakPolarHBondContact OD2-CD 3.47Å; D290-R294 IonicContact OD2-NE 2.69Å; D290-R294 PolarHBondContact OD2-NE 2.91Å; D290-R294 VanDerWaalsContact OD2-NE 3.14Å; L291-R294 PolarHBondContact O-N 2.9Å; R294-A298 WeakPolarHBondContact O-CB 3.43Å; R294-A298 PolarHBondContact O-N 2.85Å; R294-Q309 PolarHBondContact O-NE2 2.76Å; R294-F459 HydrophobicContact CB-CD2 3.9Å; R294-F459 HydrophobicContact CB-CE2 4.18Å; R294-F459 HydrophobicContact CB-CG 4.34Å
295	L	98.8	Very high	97.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-68.1	-43.9	177.9	-68.7	173.5	0	0	0	111.1	K101 V111 L115 V217 D219 A255 L291 G297 A298 I299 F459	K101-L295 HydrophobicContact CD-CD1 4.45Å; K101-L295 HydrophobicContact CG-CD1 4.42Å; V111-L295 HydrophobicContact CG1-CD1 4Å; L115-L295 HydrophobicContact CD2-CB 4.01Å; V217-L295 HydrophobicContact CG1-CD2 3.89Å; D219-L295 HydrophobicContact CB-CD1 4.22Å; D219-L295 HydrophobicContact CB-CD2 4.5Å; D219-L295 WeakPolarHBondContact OD2-CD1 3.35Å; A255-L295 HydrophobicContact CB-CD2 3.58Å; L291-L295 HydrophobicContact CD1-CD1 3.73Å; L291-L295 HydrophobicContact CD1-CD2 4.45Å; L291-L295 HydrophobicContact CD1-CG 3.82Å; L291-L295 HydrophobicContact CD2-CD1 4.44Å; L291-L295 HydrophobicContact CG-CD1 3.74Å; L291-L295 HydrophobicContact CG-CG 4.27Å; L291-L295 WeakPolarHBondContact O-CB 3.25Å; L291-L295 VanDerWaalsContact O-CG 3.29Å; L291-L295 WeakPolarHBondContact O-CG 3.36Å; L291-L295 PolarHBondContact O-N 3.45Å; L295-G297 VanDerWaalsContact C-N 3.35Å; L295-A298 PolarHBondContact O-N 3.16Å; L295-I299 WeakPolarHBondContact O-CG1 3.47Å; L295-I299 PolarHBondContact O-N 3.35Å; L295-F459 HydrophobicContact CD2-CE2 4.09Å
296	G	98.8	Very high	97.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.9	-40	175.6	0	0	0	0	0	112.6	V292 A298 I299 L300	V292-G296 PolarHBondContact O-N 2.9Å; G296-A298 PolarHBondContact O-N 2.87Å; G296-I299 PolarHBondContact O-N 3.36Å; G296-L300 WeakPolarHBondContact O-CG 3.38Å; G296-L300 PolarHBondContact O-N 3.18Å
297	G	98.6	Very high	97.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.7	-42.3	173.8	0	0	0	0	0	113	I293 L295 I299 L300 W301 A313	I293-G297 PolarHBondContact O-N 3.05Å; L295-G297 VanDerWaalsContact C-N 3.35Å; G297-I299 VanDerWaalsContact C-N 3.34Å; G297-I299 PolarHBondContact O-N 3.19Å; G297-L300 PolarHBondContact O-N 3.46Å; G297-W301 WeakPolarHBondContact O-CB 3.33Å; G297-W301 PolarHBondContact O-N 3.16Å; G297-A313 VanDerWaalsContact CA-N 3.26Å
298	A	98.2	Very high	97.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.8	-42.7	173.9	0	0	0	0	0	111.5	V217 R294 L295 G296 W301 I302 L462	V217-A298 HydrophobicContact CG2-CB 4.35Å; R294-A298 WeakPolarHBondContact O-CB 3.43Å; R294-A298 PolarHBondContact O-N 2.85Å; L295-A298 PolarHBondContact O-N 3.16Å; G296-A298 PolarHBondContact O-N 2.87Å; A298-W301 PolarHBondContact O-N 3.06Å; A298-I302 HydrophobicContact CB-CD1 4.44Å; A298-I302 WeakPolarHBondContact O-CB 3.3Å; A298-I302 WeakPolarHBondContact O-CD1 3.3Å; A298-I302 WeakPolarHBondContact O-CG1 3.25Å; A298-I302 PolarHBondContact O-N 3.48Å; A298-L462 HydrophobicContact CB-CD1 4.45Å; A298-L462 HydrophobicContact CB-CD2 4.12Å
299	I	98.3	Very high	97.6	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61.5	-49.4	177.1	-71.2	166.1	0	0	0	111.1	V99 K101 L115 L119 V217 L295 G296 G297 W301 I302 S303	V99-I299 HydrophobicContact CB-CG2 3.52Å; V99-I299 HydrophobicContact CG1-CG2 3.87Å; V99-I299 HydrophobicContact CG2-CG2 3.55Å; K101-I299 HydrophobicContact CB-CD1 3.89Å; L115-I299 HydrophobicContact CD2-CD1 4.2Å; L119-I299 HydrophobicContact CD1-CD1 3.75Å; L119-I299 HydrophobicContact CD1-CG2 4.18Å; L119-I299 HydrophobicContact CD2-CB 4.21Å; L119-I299 HydrophobicContact CD2-CG2 3.87Å; V217-I299 HydrophobicContact CB-CD1 4.14Å; V217-I299 HydrophobicContact CB-CG1 3.67Å; V217-I299 HydrophobicContact CG2-CB 4.43Å; V217-I299 HydrophobicContact CG2-CD1 4.39Å; V217-I299 HydrophobicContact CG2-CG1 3.4Å; L295-I299 WeakPolarHBondContact O-CG1 3.47Å; L295-I299 PolarHBondContact O-N 3.35Å; G296-I299 PolarHBondContact O-N 3.36Å; G297-I299 VanDerWaalsContact C-N 3.34Å; G297-I299 PolarHBondContact O-N 3.19Å; I299-W301 VanDerWaalsContact C-N 3.32Å; I299-W301 PolarHBondContact O-N 2.71Å; I299-I302 PolarHBondContact O-N 3.21Å; I299-S303 VanDerWaalsContact O-CB 3.26Å; I299-S303 WeakPolarHBondContact O-CB 3.26Å; I299-S303 PolarHBondContact O-N 2.94Å; I299-S303 PolarHBondContact O-OG 2.95Å
300	L	98.5	Very high	97.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.6	-40.7	-179.8	-68.7	-178.3	0	0	0	111.5	L119 C122 C124 G296 G297 S303 G304 Q305 A306 R315 V316	L119-L300 HydrophobicContact CD2-CD2 4.03Å; L119-L300 HydrophobicContact CD2-CG 4.12Å; C122-L300 HydrophobicContact CB-CD1 4.09Å; C122-L300 HydrophobicContact CB-CD2 4.14Å; C124-L300 WeakPolarHBondContact SG-CD2 3.1Å; G296-L300 WeakPolarHBondContact O-CG 3.38Å; G296-L300 PolarHBondContact O-N 3.18Å; G297-L300 PolarHBondContact O-N 3.46Å; L300-S303 WeakPolarHBondContact CA-OG 3.4Å; L300-S303 PolarHBondContact O-OG 3.35Å; L300-S303 VanDerWaalsContact O-OG 3.11Å; L300-G304 PolarHBondContact O-N 3.35Å; L300-Q305 HydrophobicContact CB-CB 4.37Å; L300-Q305 HydrophobicContact CD2-CB 3.84Å; L300-Q305 HydrophobicContact CD2-CG 4.5Å; L300-Q305 CarbonylContact O-C 3.52Å; L300-Q305 WeakPolarHBondContact O-CA 3.41Å; L300-Q305 PolarHBondContact O-N 3.4Å; L300-A306 HydrophobicContact CB-CB 3.94Å; L300-A306 PolarHBondContact O-N 3.11Å; L300-R315 HydrophobicContact CD1-CB 4.07Å; L300-V316 HydrophobicContact CD1-CG2 3.82Å
301	W	97.4	Very high	97.6	Very high	40 Å²	40	38.1 Å²	38.1	15%	0.152	20%	0.2	C	C	.	.	H	α-helix	trans	-63.7	-53.4	175.8	170.6	45.4	0	0	0	112.6	G297 A298 I299 S303 G304 A306 E307 Q309 L462 L464 I468 P471	G297-W301 WeakPolarHBondContact O-CB 3.33Å; G297-W301 PolarHBondContact O-N 3.16Å; A298-W301 PolarHBondContact O-N 3.06Å; I299-W301 VanDerWaalsContact C-N 3.32Å; I299-W301 PolarHBondContact O-N 2.71Å; W301-S303 VanDerWaalsContact C-N 3.29Å; W301-S303 PolarHBondContact O-N 3.15Å; W301-G304 PolarHBondContact O-N 3.11Å; W301-A306 WeakPolarHBondContact CA-O 3.43Å; W301-E307 VanDerWaalsContact CD1-O 3.28Å; W301-Q309 HydrophobicContact CB-CB 4.49Å; W301-Q309 HydrophobicContact CD2-CB 4.4Å; W301-Q309 HydrophobicContact CE3-CB 4.05Å; W301-L462 HydrophobicContact CZ3-CD2 3.97Å; W301-L464 HydrophobicContact CH2-CD1 3.79Å; W301-L464 HydrophobicContact CH2-CD2 4.2Å; W301-L464 HydrophobicContact CZ3-CD1 4.3Å; W301-L464 HydrophobicContact CZ3-CD2 3.97Å; W301-I468 HydrophobicContact CH2-CG2 4.37Å; W301-I468 HydrophobicContact CZ2-CG2 4.25Å; W301-P471 HydrophobicContact CZ2-CG 4.48Å
302	I	95.6	Very high	97.6	Very high	10 Å²	10	38.1 Å²	38.1	5%	0.051	20%	0.2	C	C	.	.	H	α-helix	trans	-66.6	-32.6	-175.5	-66.1	163	0	0	0	111.7	T215 V217 K251 A253 A298 I299 G304 L464 I468	T215-I302 HydrophobicContact CG2-CB 3.79Å; T215-I302 HydrophobicContact CG2-CG2 3.49Å; T215-I302 VanDerWaalsContact CG2-CG2 3.49Å; V217-I302 HydrophobicContact CG2-CD1 4.09Å; K251-I302 HydrophobicContact CB-CG2 4.45Å; A253-I302 HydrophobicContact CB-CD1 3.45Å; A253-I302 VanDerWaalsContact CB-CD1 3.45Å; A298-I302 HydrophobicContact CB-CD1 4.44Å; A298-I302 WeakPolarHBondContact O-CB 3.3Å; A298-I302 WeakPolarHBondContact O-CD1 3.3Å; A298-I302 WeakPolarHBondContact O-CG1 3.25Å; A298-I302 PolarHBondContact O-N 3.48Å; I299-I302 PolarHBondContact O-N 3.21Å; I302-G304 PolarHBondContact O-N 2.95Å; I302-L464 HydrophobicContact CD1-CD2 4.16Å; I302-I468 HydrophobicContact CG1-CD1 4.46Å; I302-I468 HydrophobicContact CG2-CD1 3.71Å
303	S	95.2	Very high	97.6	Very high	5 Å²	5	38.7 Å²	38.7	4%	0.035	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-5.1	173.1	59.4	0	0	0	0	114.1	T215 I299 L300 W301 Q305	T215-S303 WeakPolarHBondContact OG1-CA 3.47Å; T215-S303 WeakPolarHBondContact OG1-CB 3.21Å; T215-S303 PolarHBondContact OG1-N 3.39Å; I299-S303 VanDerWaalsContact O-CB 3.26Å; I299-S303 WeakPolarHBondContact O-CB 3.26Å; I299-S303 PolarHBondContact O-N 2.94Å; I299-S303 PolarHBondContact O-OG 2.95Å; L300-S303 WeakPolarHBondContact CA-OG 3.4Å; L300-S303 PolarHBondContact O-OG 3.35Å; L300-S303 VanDerWaalsContact O-OG 3.11Å; W301-S303 VanDerWaalsContact C-N 3.29Å; W301-S303 PolarHBondContact O-N 3.15Å; S303-Q305 PolarHBondContact O-N 2.93Å; S303-Q305 VanDerWaalsContact OG-CG 3.3Å; S303-Q305 WeakPolarHBondContact OG-CG 3.43Å
304	G	95.1	Very high	97.6	Very high	62 Å²	62	40.2 Å²	40.2	64%	0.639	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.7	14	-176.1	0	0	0	0	0	113.6	L300 W301 I302 A306	L300-G304 PolarHBondContact O-N 3.35Å; W301-G304 PolarHBondContact O-N 3.11Å; I302-G304 PolarHBondContact O-N 2.95Å; G304-A306 VanDerWaalsContact C-N 3.31Å
305	Q	96.1	Very high	97.7	Very high	59 Å²	59	39.8 Å²	39.8	28%	0.276	22%	0.22	S	C	.	.	S	Bend	trans	-81.4	-15	172.9	-59.4	-61.4	-37.9	0	0	111.6	Q96 L300 S303 R315	Q96-Q305 PolarHBondContact O-NE2 2.89Å; L300-Q305 HydrophobicContact CB-CB 4.37Å; L300-Q305 HydrophobicContact CD2-CB 3.84Å; L300-Q305 HydrophobicContact CD2-CG 4.5Å; L300-Q305 CarbonylContact O-C 3.52Å; L300-Q305 WeakPolarHBondContact O-CA 3.41Å; L300-Q305 PolarHBondContact O-N 3.4Å; S303-Q305 PolarHBondContact O-N 2.93Å; S303-Q305 VanDerWaalsContact OG-CG 3.3Å; S303-Q305 WeakPolarHBondContact OG-CG 3.43Å; Q305-R315 PolarHBondContact O-NH1 3.45Å
306	A	97.7	Very high	97.7	Very high	8 Å²	8	39.8 Å²	39.8	7%	0.066	22%	0.22	C	C	.	.	S	Bend	trans	-136.9	150.2	168.7	0	0	0	0	0	109.8	L300 W301 G304 Q311	L300-A306 HydrophobicContact CB-CB 3.94Å; L300-A306 PolarHBondContact O-N 3.11Å; W301-A306 WeakPolarHBondContact CA-O 3.43Å; G304-A306 VanDerWaalsContact C-N 3.31Å; A306-Q311 HydrophobicContact CB-CB 4.36Å; A306-Q311 HydrophobicContact CB-CG 4.49Å
307	E	96.9	Very high	97.7	Very high	163 Å²	163	40.6 Å²	40.6	76%	0.762	23%	0.227	S	C	*	.	S	Bend	trans	-73.3	-34	-179.8	-63.8	179.4	179.7	0	0	111.9	W301	W301-E307 VanDerWaalsContact CD1-O 3.28Å
308	T	97.4	Very high	97.7	Very high	63 Å²	63	43 Å²	43	39%	0.387	25%	0.247	S	C	.	.	S	Bend	trans	-134.4	160	179.5	70.7	0	0	0	0	111.5	D310 Q311 G312	T308-D310 VanDerWaalsContact C-N 3.26Å; T308-D310 PolarHBondContact O-N 3.04Å; T308-Q311 PolarHBondContact O-N 2.82Å; T308-Q311 WeakPolarHBondContact OG1-CB 3.49Å; T308-Q311 PolarHBondContact OG1-N 2.82Å; T308-Q311 VanDerWaalsContact OG1-N 3.11Å; T308-G312 PolarHBondContact O-N 3.13Å
309	Q	96.6	Very high	97.7	Very high	48 Å²	48	43.2 Å²	43.2	22%	0.224	25%	0.248	C	C	.	.	H	α-helix	trans	-58.8	-39.3	173.9	-175.1	173	4.6	0	0	111.7	R294 W301 G312 A313	R294-Q309 PolarHBondContact O-NE2 2.76Å; W301-Q309 HydrophobicContact CB-CB 4.49Å; W301-Q309 HydrophobicContact CD2-CB 4.4Å; W301-Q309 HydrophobicContact CE3-CB 4.05Å; Q309-G312 PolarHBondContact O-N 3.21Å; Q309-A313 VanDerWaalsContact O-CB 3.27Å; Q309-A313 WeakPolarHBondContact O-CB 3.33Å; Q309-A313 PolarHBondContact O-N 3.03Å
310	D	98.2	Very high	97.7	Very high	131 Å²	131	43.2 Å²	43.2	70%	0.701	25%	0.248	S	C	*	.	H	α-helix	trans	-66.9	-40.2	179.6	-71.6	-17.8	0	0	0	112.3	T308 A313 A314	T308-D310 VanDerWaalsContact C-N 3.26Å; T308-D310 PolarHBondContact O-N 3.04Å; D310-A313 PolarHBondContact O-N 2.97Å; D310-A314 WeakPolarHBondContact O-CB 3.27Å; D310-A314 PolarHBondContact O-N 2.89Å
311	Q	98.6	Very high	97.7	Very high	85 Å²	85	47.7 Å²	47.7	40%	0.397	27%	0.272	S	S	.	.	H	α-helix	trans	-64.4	-43.1	174.2	-171.6	-169.5	34.4	0	0	110.8	A306 T308 A314 R315	A306-Q311 HydrophobicContact CB-CB 4.36Å; A306-Q311 HydrophobicContact CB-CG 4.49Å; T308-Q311 PolarHBondContact O-N 2.82Å; T308-Q311 WeakPolarHBondContact OG1-CB 3.49Å; T308-Q311 PolarHBondContact OG1-N 2.82Å; T308-Q311 VanDerWaalsContact OG1-N 3.11Å; Q311-A314 PolarHBondContact O-N 3.09Å; Q311-R315 WeakPolarHBondContact O-CG 3.48Å; Q311-R315 PolarHBondContact O-N 3.08Å; Q311-R315 VanDerWaalsContact O-N 3.09Å
312	G	98.7	Very high	97.8	Very high	0 Å²	0	51 Å²	51	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-59.9	-46.2	174.1	0	0	0	0	0	111.9	T308 Q309 A314 R315 V316	T308-G312 PolarHBondContact O-N 3.13Å; Q309-G312 PolarHBondContact O-N 3.21Å; G312-A314 PolarHBondContact O-N 3.14Å; G312-R315 PolarHBondContact O-N 3.4Å; G312-V316 WeakPolarHBondContact O-CG2 3.37Å; G312-V316 PolarHBondContact O-N 3.44Å
313	A	98.7	Very high	97.9	Very high	13 Å²	13	51.1 Å²	51.1	11%	0.107	30%	0.297	C	S	.	.	H	α-helix	trans	-59.4	-45.3	178.1	0	0	0	0	0	111.5	I293 G297 Q309 D310 R315 V316 A317	I293-A313 HydrophobicContact CG2-CB 3.5Å; G297-A313 VanDerWaalsContact CA-N 3.26Å; Q309-A313 VanDerWaalsContact O-CB 3.27Å; Q309-A313 WeakPolarHBondContact O-CB 3.33Å; Q309-A313 PolarHBondContact O-N 3.03Å; D310-A313 PolarHBondContact O-N 2.97Å; A313-R315 VanDerWaalsContact C-N 3.32Å; A313-R315 PolarHBondContact O-N 3.33Å; A313-V316 PolarHBondContact O-N 2.88Å; A313-A317 WeakPolarHBondContact O-CB 3.49Å; A313-A317 PolarHBondContact O-N 2.89Å
314	A	98.8	Very high	98	Very high	60 Å²	60	52.6 Å²	52.6	50%	0.496	31%	0.308	S	S	.	.	H	α-helix	trans	-60.9	-39	176.4	0	0	0	0	0	112.6	D310 Q311 G312 A317 A318	D310-A314 WeakPolarHBondContact O-CB 3.27Å; D310-A314 PolarHBondContact O-N 2.89Å; Q311-A314 PolarHBondContact O-N 3.09Å; G312-A314 PolarHBondContact O-N 3.14Å; A314-A317 PolarHBondContact O-N 2.67Å; A314-A318 WeakPolarHBondContact O-CB 3.5Å; A314-A318 PolarHBondContact O-N 2.67Å
315	R	98.8	Very high	98.2	Very high	89 Å²	89	49.7 Å²	49.7	34%	0.336	28%	0.277	S	S	.	.	H	α-helix	trans	-65.6	-42.7	175.9	-71.7	179.6	64.5	-167	-3.4	112.5	C122 L300 Q305 Q311 G312 A313 A318 A319	C122-R315 PolarHBondContact O-NH2 2.84Å; L300-R315 HydrophobicContact CD1-CB 4.07Å; Q305-R315 PolarHBondContact O-NH1 3.45Å; Q311-R315 WeakPolarHBondContact O-CG 3.48Å; Q311-R315 PolarHBondContact O-N 3.08Å; Q311-R315 VanDerWaalsContact O-N 3.09Å; G312-R315 PolarHBondContact O-N 3.4Å; A313-R315 VanDerWaalsContact C-N 3.32Å; A313-R315 PolarHBondContact O-N 3.33Å; R315-A318 PolarHBondContact O-N 2.89Å; R315-A319 PolarHBondContact O-N 2.73Å
316	V	98.9	Very high	98.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-64.6	-43.1	176.2	174.3	0	0	0	0	110.4	A118 V292 I293 L300 G312 A313 A318 A319 L320	A118-V316 HydrophobicContact CB-CG1 4.2Å; V292-V316 HydrophobicContact CG1-CG1 4.11Å; I293-V316 HydrophobicContact CG1-CG1 4.41Å; L300-V316 HydrophobicContact CD1-CG2 3.82Å; G312-V316 WeakPolarHBondContact O-CG2 3.37Å; G312-V316 PolarHBondContact O-N 3.44Å; A313-V316 PolarHBondContact O-N 2.88Å; V316-A318 PolarHBondContact O-N 3.23Å; V316-A319 PolarHBondContact O-N 3.01Å; V316-L320 WeakPolarHBondContact O-CG 3.36Å; V316-L320 PolarHBondContact O-N 3.2Å
317	A	98.7	Very high	98.4	Very high	17 Å²	17	57.3 Å²	57.3	14%	0.14	30%	0.302	C	S	.	.	H	α-helix	trans	-58.3	-47	175.3	0	0	0	0	0	111.7	I293 A313 A314 A319 L320 D321	I293-A317 HydrophobicContact CD1-CB 3.67Å; I293-A317 HydrophobicContact CG1-CB 4.04Å; A313-A317 WeakPolarHBondContact O-CB 3.49Å; A313-A317 PolarHBondContact O-N 2.89Å; A314-A317 PolarHBondContact O-N 2.67Å; A317-A319 VanDerWaalsContact C-N 3.29Å; A317-A319 PolarHBondContact O-N 3.06Å; A317-L320 WeakPolarHBondContact O-CB 3.43Å; A317-L320 PolarHBondContact O-N 2.98Å; A317-L320 VanDerWaalsContact O-N 3.1Å; A317-D321 VanDerWaalsContact O-CG 3.24Å; A317-D321 PolarHBondContact O-N 3.12Å
318	A	98.7	Very high	98.5	Very high	51 Å²	51	53.5 Å²	53.5	42%	0.421	28%	0.28	S	S	.	.	H	α-helix	trans	-57.7	-41.5	176.4	0	0	0	0	0	112	A314 R315 V316 L320 D321 D322	A314-A318 WeakPolarHBondContact O-CB 3.5Å; A314-A318 PolarHBondContact O-N 2.67Å; R315-A318 PolarHBondContact O-N 2.89Å; V316-A318 PolarHBondContact O-N 3.23Å; A318-L320 VanDerWaalsContact C-N 3.28Å; A318-L320 PolarHBondContact O-N 2.79Å; A318-D321 PolarHBondContact O-N 3.33Å; A318-D321 VanDerWaalsContact O-N 3.14Å; A318-D322 WeakPolarHBondContact O-CB 2.65Å; A318-D322 PolarHBondContact O-N 3.04Å
319	A	98.8	Very high	98.6	Very high	3 Å²	3	50.5 Å²	50.5	3%	0.025	26%	0.262	C	S	.	.	H	α-helix	trans	-65.7	-28.2	178.2	0	0	0	0	0	114	A121 R315 V316 A317 D322 S324 A325	A121-A319 HydrophobicContact CB-CB 3.98Å; R315-A319 PolarHBondContact O-N 2.73Å; V316-A319 PolarHBondContact O-N 3.01Å; A317-A319 VanDerWaalsContact C-N 3.29Å; A317-A319 PolarHBondContact O-N 3.06Å; A319-D322 WeakPolarHBondContact CA-OD1 3.44Å; A319-S324 VanDerWaalsContact CA-OG 3.29Å; A319-S324 WeakPolarHBondContact CA-OG 3.2Å; A319-S324 PolarHBondContact O-N 3.03Å; A319-S324 PolarHBondContact O-OG 3.28Å; A319-A325 HydrophobicContact CB-CB 4.38Å; A319-A325 WeakPolarHBondContact O-CB 3.32Å; A319-A325 PolarHBondContact O-N 3.4Å
320	L	98.7	Very high	98.7	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-74.4	-39.6	172	-60.6	177.4	0	0	0	111.1	V114 A118 L280 G282 R289 V292 I293 V316 A317 A318 A325	V114-L320 HydrophobicContact CG1-CD2 3.53Å; A118-L320 HydrophobicContact CB-CD2 4.2Å; L280-L320 HydrophobicContact CD2-CD2 4.14Å; G282-L320 PolarHBondContact N-O 2.98Å; R289-L320 HydrophobicContact CG-CD1 4.41Å; V292-L320 HydrophobicContact CG1-CD1 4.07Å; I293-L320 HydrophobicContact CG1-CD1 4.27Å; V316-L320 WeakPolarHBondContact O-CG 3.36Å; V316-L320 PolarHBondContact O-N 3.2Å; A317-L320 WeakPolarHBondContact O-CB 3.43Å; A317-L320 PolarHBondContact O-N 2.98Å; A317-L320 VanDerWaalsContact O-N 3.1Å; A318-L320 VanDerWaalsContact C-N 3.28Å; A318-L320 PolarHBondContact O-N 2.79Å; L320-A325 HydrophobicContact CD2-CB 4.06Å
321	D	98.6	Very high	98.7	Very high	94 Å²	94	45.3 Å²	45.3	50%	0.503	23%	0.234	S	C	.	.	H	α-helix	trans	-81.2	-32.1	-172.6	-61.9	-20.7	0	0	0	113.1	R289 A317 A318 G323	R289-D321 IonicContact CZ-OD1 2.67Å; R289-D321 IonicContact CZ-OD2 3.8Å; R289-D321 IonicContact NH1-OD1 3.64Å; R289-D321 PolarHBondContact NH1-OD1 3.41Å; R289-D321 IonicContact NH2-OD1 2.72Å; R289-D321 PolarHBondContact NH2-OD1 3.15Å; R289-D321 IonicContact NH2-OD2 2.77Å; R289-D321 PolarHBondContact NH2-OD2 2.92Å; A317-D321 VanDerWaalsContact O-CG 3.24Å; A317-D321 PolarHBondContact O-N 3.12Å; A318-D321 PolarHBondContact O-N 3.33Å; A318-D321 VanDerWaalsContact O-N 3.14Å; D321-G323 VanDerWaalsContact C-N 3.33Å
322	D	98.4	Very high	98.7	Very high	109 Å²	109	41.2 Å²	41.2	58%	0.583	22%	0.216	S	C	*	.	S	Bend	trans	-86.7	-3.9	179	72.9	9.5	0	0	0	113.6	A318 A319 S324	A318-D322 WeakPolarHBondContact O-CB 2.65Å; A318-D322 PolarHBondContact O-N 3.04Å; A319-D322 WeakPolarHBondContact CA-OD1 3.44Å; D322-S324 VanDerWaalsContact C-N 3.26Å; D322-S324 PolarHBondContact O-N 3.43Å; D322-S324 WeakPolarHBondContact OD1-CB 3.48Å; D322-S324 PolarHBondContact OD1-N 3.42Å; D322-S324 PolarHBondContact OD1-OG 2.91Å
323	G	98	Very high	98.7	Very high	14 Å²	14	41.2 Å²	41.2	14%	0.144	22%	0.216	C	C	.	.	S	Bend	trans	75.3	6.1	179.6	0	0	0	0	0	115	D321 R326 R327	D321-G323 VanDerWaalsContact C-N 3.33Å; G323-R326 WeakPolarHBondContact O-CB 3.28Å; G323-R326 PolarHBondContact O-N 3.42Å; G323-R327 PolarHBondContact O-N 3.08Å
324	S	98.7	Very high	98.7	Very high	36 Å²	36	42.3 Å²	42.3	25%	0.252	22%	0.222	S	C	.	.	H	α-helix	trans	-64.8	-39.5	176	62.2	0	0	0	0	111.8	A319 D322 R326 R327 R328	A319-S324 VanDerWaalsContact CA-OG 3.29Å; A319-S324 WeakPolarHBondContact CA-OG 3.2Å; A319-S324 PolarHBondContact O-N 3.03Å; A319-S324 PolarHBondContact O-OG 3.28Å; D322-S324 VanDerWaalsContact C-N 3.26Å; D322-S324 PolarHBondContact O-N 3.43Å; D322-S324 WeakPolarHBondContact OD1-CB 3.48Å; D322-S324 PolarHBondContact OD1-N 3.42Å; D322-S324 PolarHBondContact OD1-OG 2.91Å; S324-R326 PolarHBondContact O-N 3.35Å; S324-R327 WeakPolarHBondContact O-CB 3.35Å; S324-R327 PolarHBondContact O-N 2.91Å; S324-R328 WeakPolarHBondContact O-CG 3.4Å; S324-R328 PolarHBondContact O-N 3.48Å
325	A	98.8	Very high	98.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.1	-46.5	172.5	0	0	0	0	0	110.9	P117 A118 L280 A319 L320 R327 R328 F329	P117-A325 WeakPolarHBondContact CB-O 3.42Å; A118-A325 HydrophobicContact CB-CB 3.96Å; L280-A325 HydrophobicContact CD2-CB 3.6Å; A319-A325 HydrophobicContact CB-CB 4.38Å; A319-A325 WeakPolarHBondContact O-CB 3.32Å; A319-A325 PolarHBondContact O-N 3.4Å; L320-A325 HydrophobicContact CD2-CB 4.06Å; A325-R327 VanDerWaalsContact C-N 3.29Å; A325-R327 PolarHBondContact O-N 3.34Å; A325-R328 WeakPolarHBondContact O-CB 3.44Å; A325-R328 PolarHBondContact O-N 3.27Å; A325-R328 VanDerWaalsContact O-N 3.09Å; A325-F329 PolarHBondContact O-N 3.39Å
326	R	98.7	Very high	98.7	Very high	83 Å²	83	36.8 Å²	36.8	31%	0.313	20%	0.195	S	C	.	.	H	α-helix	trans	-59.1	-39.5	176.2	-170.2	176.2	68	178	-7.5	112.5	L280 D281 G323 S324 F329 Q330 C347	L280-R326 HydrophobicContact CB-CB 4.05Å; L280-R326 HydrophobicContact CB-CG 4.31Å; D281-R326 WeakPolarHBondContact OD1-CD 3.4Å; D281-R326 IonicContact OD1-CZ 3.15Å; D281-R326 IonicContact OD1-NE 2.83Å; D281-R326 IonicContact OD1-NH1 2.73Å; D281-R326 PolarHBondContact OD1-NH1 2.59Å; G323-R326 WeakPolarHBondContact O-CB 3.28Å; G323-R326 PolarHBondContact O-N 3.42Å; S324-R326 PolarHBondContact O-N 3.35Å; R326-F329 PolarHBondContact O-N 2.96Å; R326-Q330 PolarHBondContact O-N 3.34Å; R326-C347 VanDerWaalsContact CD-O 3.27Å; R326-C347 WeakPolarHBondContact CD-O 3.42Å; R326-C347 HydrophobicContact CG-CB 4.1Å
327	R	98.7	Very high	98.6	Very high	144 Å²	144	39.3 Å²	39.3	54%	0.543	22%	0.221	S	C	.	.	H	α-helix	trans	-63.6	-41.6	175.3	-175.9	64.4	179	-165.4	-1.2	111.5	G323 S324 A325 Q330 L331	G323-R327 PolarHBondContact O-N 3.08Å; S324-R327 WeakPolarHBondContact O-CB 3.35Å; S324-R327 PolarHBondContact O-N 2.91Å; A325-R327 VanDerWaalsContact C-N 3.29Å; A325-R327 PolarHBondContact O-N 3.34Å; R327-Q330 WeakPolarHBondContact O-CB 3.33Å; R327-Q330 PolarHBondContact O-N 3.46Å; R327-L331 WeakPolarHBondContact O-CG 3.41Å; R327-L331 PolarHBondContact O-N 3.09Å; R327-L331 VanDerWaalsContact O-N 3.11Å
328	R	98.8	Very high	98.6	Very high	84 Å²	84	38.6 Å²	38.6	32%	0.317	22%	0.215	S	C	.	.	H	α-helix	trans	-64.6	-39.9	174.7	-66.8	-60.2	-175.9	-177.5	-8.7	112.1	P117 A120 A121 E165 V166 S324 A325 L331 M332	P117-R328 HydrophobicContact CB-CB 3.78Å; A120-R328 HydrophobicContact CB-CB 4.38Å; A120-R328 HydrophobicContact CB-CG 4.24Å; A121-R328 HydrophobicContact CB-CG 3.96Å; E165-R328 PolarHBondContact O-NH1 2.73Å; E165-R328 VanDerWaalsContact O-NH1 3.17Å; V166-R328 WeakPolarHBondContact CG1-O 3.33Å; V166-R328 WeakPolarHBondContact O-CD 3.38Å; V166-R328 PolarHBondContact O-NH1 3.02Å; S324-R328 WeakPolarHBondContact O-CG 3.4Å; S324-R328 PolarHBondContact O-N 3.48Å; A325-R328 WeakPolarHBondContact O-CB 3.44Å; A325-R328 PolarHBondContact O-N 3.27Å; A325-R328 VanDerWaalsContact O-N 3.09Å; R328-L331 PolarHBondContact O-N 3.49Å; R328-M332 WeakPolarHBondContact O-CB 3.48Å; R328-M332 PolarHBondContact O-N 3.46Å
329	F	98.9	Very high	98.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.1	-46.7	173.6	-171.1	-107.8	0	0	0	111.7	P117 L144 I147 L277 L280 A325 R326 L331 M332 L333	P117-F329 HydrophobicContact CB-CB 3.95Å; P117-F329 HydrophobicContact CG-CB 3.97Å; P117-F329 HydrophobicContact CG-CD2 4.03Å; P117-F329 HydrophobicContact CG-CG 4.46Å; L144-F329 HydrophobicContact CD2-CE2 4.39Å; I147-F329 HydrophobicContact CD1-CZ 4.27Å; L277-F329 HydrophobicContact CD2-CD1 3.76Å; L277-F329 HydrophobicContact CD2-CE1 3.71Å; L277-F329 HydrophobicContact CG-CE1 4.2Å; L280-F329 HydrophobicContact CD1-CB 3.78Å; L280-F329 HydrophobicContact CD1-CD1 3.95Å; L280-F329 HydrophobicContact CD1-CD2 4.17Å; L280-F329 HydrophobicContact CD1-CG 3.7Å; A325-F329 PolarHBondContact O-N 3.39Å; R326-F329 PolarHBondContact O-N 2.96Å; F329-L331 VanDerWaalsContact C-N 3.32Å; F329-L331 PolarHBondContact O-N 2.8Å; F329-M332 HydrophobicContact CD2-CE 3.65Å; F329-M332 HydrophobicContact CE2-CE 3.66Å; F329-M332 WeakPolarHBondContact O-CB 3.44Å; F329-M332 PolarHBondContact O-N 2.81Å; F329-M332 VanDerWaalsContact O-N 3.15Å; F329-L333 HydrophobicContact CD1-CD1 4.05Å; F329-L333 HydrophobicContact CD1-CG 4.21Å; F329-L333 HydrophobicContact CE1-CD1 3.69Å; F329-L333 HydrophobicContact CE1-CD2 4.04Å; F329-L333 HydrophobicContact CE1-CG 3.98Å; F329-L333 HydrophobicContact CE2-CD2 4.33Å; F329-L333 HydrophobicContact CZ-CD1 4.35Å; F329-L333 HydrophobicContact CZ-CD2 3.86Å; F329-L333 HydrophobicContact CZ-CG 4.27Å; F329-L333 WeakPolarHBondContact O-CG 3.32Å; F329-L333 PolarHBondContact O-N 3.3Å
330	Q	98.8	Very high	98.6	Very high	29 Å²	29	44.7 Å²	44.7	14%	0.136	25%	0.245	C	C	.	.	H	α-helix	trans	-54.9	-47.6	175.9	-171.3	-164	-34.8	0	0	112	R326 R327 L333 S334 A343 C347	R326-Q330 PolarHBondContact O-N 3.34Å; R327-Q330 WeakPolarHBondContact O-CB 3.33Å; R327-Q330 PolarHBondContact O-N 3.46Å; Q330-L333 PolarHBondContact O-N 3.11Å; Q330-S334 PolarHBondContact O-N 3.34Å; Q330-S334 PolarHBondContact O-OG 3.48Å; Q330-A343 HydrophobicContact CG-CB 4.34Å; Q330-C347 VanDerWaalsContact CA-SG 3.57Å; Q330-C347 HydrophobicContact CB-CB 3.96Å; Q330-C347 VanDerWaalsContact CB-SG 3.55Å; Q330-C347 HydrophobicContact CG-CB 4.15Å
331	L	98.7	Very high	98.6	Very high	40 Å²	40	46.8 Å²	46.8	21%	0.209	27%	0.267	C	S	.	.	H	α-helix	trans	-64.7	-40.6	179.1	-68.6	173.4	0	0	0	111.3	V166 R327 R328 F329 L333 S334 A335	V166-L331 HydrophobicContact CB-CB 4.44Å; V166-L331 HydrophobicContact CG1-CB 3.9Å; V166-L331 HydrophobicContact CG2-CB 3.98Å; R327-L331 WeakPolarHBondContact O-CG 3.41Å; R327-L331 PolarHBondContact O-N 3.09Å; R327-L331 VanDerWaalsContact O-N 3.11Å; R328-L331 PolarHBondContact O-N 3.49Å; F329-L331 VanDerWaalsContact C-N 3.32Å; F329-L331 PolarHBondContact O-N 2.8Å; L331-L333 PolarHBondContact O-N 2.92Å; L331-S334 PolarHBondContact O-N 3.01Å; L331-A335 VanDerWaalsContact O-CB 3.24Å; L331-A335 WeakPolarHBondContact O-CB 3.23Å; L331-A335 PolarHBondContact O-N 3.38Å
332	M	98.9	Very high	98.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-59.9	-44.6	175.6	-172	-175.7	73.7	0	0	111.8	V166 I170 R328 F329 A335 Q336	V166-M332 HydrophobicContact CG1-CB 3.89Å; I170-M332 HydrophobicContact CD1-CE 4.09Å; I170-M332 HydrophobicContact CD1-SD 4.29Å; I170-M332 HydrophobicContact CG1-CE 4.39Å; I170-M332 HydrophobicContact CG1-SD 4.03Å; R328-M332 WeakPolarHBondContact O-CB 3.48Å; R328-M332 PolarHBondContact O-N 3.46Å; F329-M332 HydrophobicContact CD2-CE 3.65Å; F329-M332 HydrophobicContact CE2-CE 3.66Å; F329-M332 WeakPolarHBondContact O-CB 3.44Å; F329-M332 PolarHBondContact O-N 2.81Å; F329-M332 VanDerWaalsContact O-N 3.15Å; M332-A335 PolarHBondContact O-N 2.99Å; M332-Q336 WeakPolarHBondContact O-CB 3.43Å; M332-Q336 WeakPolarHBondContact O-CG 3.22Å; M332-Q336 PolarHBondContact O-N 3.48Å
333	L	98.8	Very high	98.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-57.7	-52.1	176.9	-66.4	-174.8	0	0	0	111.1	I147 F150 F329 Q330 L331 A335 Q336 G337 V338 A343 L346	I147-L333 HydrophobicContact CD1-CD1 4.33Å; I147-L333 HydrophobicContact CD1-CD2 3.52Å; F150-L333 HydrophobicContact CD2-CD2 3.64Å; F150-L333 HydrophobicContact CE2-CD2 3.73Å; F329-L333 HydrophobicContact CD1-CD1 4.05Å; F329-L333 HydrophobicContact CD1-CG 4.21Å; F329-L333 HydrophobicContact CE1-CD1 3.69Å; F329-L333 HydrophobicContact CE1-CD2 4.04Å; F329-L333 HydrophobicContact CE1-CG 3.98Å; F329-L333 HydrophobicContact CE2-CD2 4.33Å; F329-L333 HydrophobicContact CZ-CD1 4.35Å; F329-L333 HydrophobicContact CZ-CD2 3.86Å; F329-L333 HydrophobicContact CZ-CG 4.27Å; F329-L333 WeakPolarHBondContact O-CG 3.32Å; F329-L333 PolarHBondContact O-N 3.3Å; Q330-L333 PolarHBondContact O-N 3.11Å; L331-L333 PolarHBondContact O-N 2.92Å; L333-A335 PolarHBondContact O-N 3.37Å; L333-Q336 CarbonylContact O-C 3.45Å; L333-Q336 PolarHBondContact O-N 3.41Å; L333-G337 PolarHBondContact O-N 2.95Å; L333-V338 HydrophobicContact CB-CB 4.04Å; L333-V338 HydrophobicContact CB-CG1 4.49Å; L333-V338 HydrophobicContact CB-CG2 3.99Å; L333-V338 HydrophobicContact CD2-CG2 4.4Å; L333-V338 VanDerWaalsContact O-CB 3.31Å; L333-V338 WeakPolarHBondContact O-CB 3.12Å; L333-V338 WeakPolarHBondContact O-CG2 3.41Å; L333-V338 PolarHBondContact O-N 2.92Å; L333-A343 HydrophobicContact CB-CB 3.89Å; L333-A343 HydrophobicContact CD1-CB 4.36Å; L333-L346 HydrophobicContact CD1-CD1 4.36Å
334	S	98.5	Very high	98.6	Very high	36 Å²	36	44.1 Å²	44.1	25%	0.252	24%	0.242	S	C	.	.	H	α-helix	trans	-60.9	-45.1	179.5	-60.1	0	0	0	0	112	Q330 L331 Q336 G337 A343	Q330-S334 PolarHBondContact O-N 3.34Å; Q330-S334 PolarHBondContact O-OG 3.48Å; L331-S334 PolarHBondContact O-N 3.01Å; S334-Q336 PolarHBondContact O-N 3.02Å; S334-G337 PolarHBondContact O-N 3.31Å; S334-G337 VanDerWaalsContact O-N 3.1Å; S334-A343 WeakPolarHBondContact OG-CB 3.39Å
335	A	98.4	Very high	98.6	Very high	30 Å²	30	44 Å²	44	25%	0.248	24%	0.244	C	C	.	.	H	α-helix	trans	-67.2	-22.4	-178.9	0	0	0	0	0	112.6	I162 V166 L331 M332 L333	I162-A335 HydrophobicContact CG1-CB 4.06Å; I162-A335 HydrophobicContact CG2-CB 4.03Å; V166-A335 HydrophobicContact CG2-CB 3.8Å; L331-A335 VanDerWaalsContact O-CB 3.24Å; L331-A335 WeakPolarHBondContact O-CB 3.23Å; L331-A335 PolarHBondContact O-N 3.38Å; M332-A335 PolarHBondContact O-N 2.99Å; L333-A335 PolarHBondContact O-N 3.37Å
336	Q	98.5	Very high	98.6	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.009	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	22.1	174.2	-67.5	-167.4	-118.1	0	0	113.4	F150 G151 I162 I170 M332 L333 S334	F150-Q336 HydrophobicContact CD2-CB 4.26Å; F150-Q336 HydrophobicContact CE1-CB 4.47Å; F150-Q336 HydrophobicContact CE2-CB 3.81Å; F150-Q336 HydrophobicContact CE2-CG 4.47Å; F150-Q336 HydrophobicContact CZ-CB 3.94Å; F150-Q336 VanDerWaalsContact CZ-CD 3.45Å; F150-Q336 HydrophobicContact CZ-CG 4.28Å; F150-Q336 VanDerWaalsContact CZ-NE2 3.31Å; G151-Q336 WeakPolarHBondContact CA-O 3.4Å; G151-Q336 PolarHBondContact N-O 3.04Å; G151-Q336 PolarHBondContact O-NE2 2.88Å; G151-Q336 VanDerWaalsContact O-NE2 3.08Å; I162-Q336 HydrophobicContact CD1-CG 4Å; I170-Q336 PolarHBondContact O-NE2 2.81Å; M332-Q336 WeakPolarHBondContact O-CB 3.43Å; M332-Q336 WeakPolarHBondContact O-CG 3.22Å; M332-Q336 PolarHBondContact O-N 3.48Å; L333-Q336 CarbonylContact O-C 3.45Å; L333-Q336 PolarHBondContact O-N 3.41Å; S334-Q336 PolarHBondContact O-N 3.02Å
337	G	98.3	Very high	98.6	Very high	53 Å²	53	40.2 Å²	40.2	55%	0.546	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.9	-1.6	165	0	0	0	0	0	116.3	G149 L333 S334	G149-G337 CarbonylContact O-C 3.43Å; L333-G337 PolarHBondContact O-N 2.95Å; S334-G337 PolarHBondContact O-N 3.31Å; S334-G337 VanDerWaalsContact O-N 3.1Å
338	V	98.7	Very high	98.5	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.018	23%	0.231	C	C	.	.			trans	-68	138.1	170.7	-177.8	0	0	0	0	108.9	I147 F150 L333 L342 A343	I147-V338 HydrophobicContact CG2-CG1 4.05Å; I147-V338 HydrophobicContact CG2-CG2 3.76Å; F150-V338 HydrophobicContact CB-CG2 3.83Å; F150-V338 HydrophobicContact CD2-CG2 3.86Å; F150-V338 HydrophobicContact CG-CG2 4.34Å; L333-V338 HydrophobicContact CB-CB 4.04Å; L333-V338 HydrophobicContact CB-CG1 4.49Å; L333-V338 HydrophobicContact CB-CG2 3.99Å; L333-V338 HydrophobicContact CD2-CG2 4.4Å; L333-V338 VanDerWaalsContact O-CB 3.31Å; L333-V338 WeakPolarHBondContact O-CB 3.12Å; L333-V338 WeakPolarHBondContact O-CG2 3.41Å; L333-V338 PolarHBondContact O-N 2.92Å; V338-L342 HydrophobicContact CG1-CB 4.19Å; V338-L342 HydrophobicContact CG1-CD2 3.99Å; V338-L342 HydrophobicContact CG1-CG 4.05Å; V338-A343 HydrophobicContact CG1-CB 4.09Å
339	D	98.6	Very high	98.4	Very high	98 Å²	98	33.5 Å²	33.5	52%	0.524	22%	0.219	S	C	.	.			trans	-51.7	129.2	174.1	172	-97.2	0	0	0	110.5	G341 L342 A343	D339-G341 PolarHBondContact O-N 3.34Å; D339-G341 VanDerWaalsContact O-N 3.16Å; D339-G341 WeakPolarHBondContact OD1-CA 3.31Å; D339-G341 PolarHBondContact OD1-N 3.45Å; D339-L342 HydrophobicContact CB-CB 4.04Å; D339-L342 WeakPolarHBondContact O-CB 3.44Å; D339-L342 PolarHBondContact O-N 2.81Å; D339-L342 PolarHBondContact OD1-N 2.51Å; D339-A343 PolarHBondContact O-N 3.2Å
340	P	98.3	Very high	98.3	Very high	84 Å²	84	35.9 Å²	35.9	55%	0.545	24%	0.236	S	C	.	.	H	α-helix	trans	-58.8	-31	-176.6	-27.8	35.4	0	0	0	114.2	K344	P340-K344 WeakPolarHBondContact O-CB 3.47Å; P340-K344 PolarHBondContact O-N 2.66Å; P340-K344 VanDerWaalsContact O-N 3.09Å
341	G	98.5	Very high	98.2	Very high	44 Å²	44	37.3 Å²	37.3	45%	0.454	25%	0.247	S	C	.	.	H	α-helix	trans	-67.6	-46.9	174.3	0	0	0	0	0	111.6	D339 K344 A345	D339-G341 PolarHBondContact O-N 3.34Å; D339-G341 VanDerWaalsContact O-N 3.16Å; D339-G341 WeakPolarHBondContact OD1-CA 3.31Å; D339-G341 PolarHBondContact OD1-N 3.45Å; G341-K344 PolarHBondContact O-N 2.99Å; G341-A345 WeakPolarHBondContact O-CB 3.48Å; G341-A345 PolarHBondContact O-N 3.32Å
342	L	98.6	Very high	98.2	Very high	31 Å²	31	39.7 Å²	39.7	16%	0.162	26%	0.264	C	S	.	.	H	α-helix	trans	-61.8	-47	174.4	179	58.8	0	0	0	112	P148 V338 D339 K344 A345 L346 L357	P148-L342 HydrophobicContact CB-CD2 3.91Å; P148-L342 HydrophobicContact CG-CD2 4.19Å; V338-L342 HydrophobicContact CG1-CB 4.19Å; V338-L342 HydrophobicContact CG1-CD2 3.99Å; V338-L342 HydrophobicContact CG1-CG 4.05Å; D339-L342 HydrophobicContact CB-CB 4.04Å; D339-L342 WeakPolarHBondContact O-CB 3.44Å; D339-L342 PolarHBondContact O-N 2.81Å; D339-L342 PolarHBondContact OD1-N 2.51Å; L342-K344 VanDerWaalsContact C-N 3.32Å; L342-K344 PolarHBondContact O-N 3.32Å; L342-A345 PolarHBondContact O-N 2.9Å; L342-A345 VanDerWaalsContact O-N 3.14Å; L342-L346 HydrophobicContact CD1-CD1 4.11Å; L342-L346 HydrophobicContact CD1-CG 4.04Å; L342-L346 HydrophobicContact CG-CD1 4.04Å; L342-L346 HydrophobicContact CG-CG 4.42Å; L342-L346 WeakPolarHBondContact O-CG 3.48Å; L342-L346 PolarHBondContact O-N 3.45Å; L342-L357 HydrophobicContact CD1-CB 4.05Å; L342-L357 HydrophobicContact CD1-CD1 4.41Å; L342-L357 HydrophobicContact CD1-CD2 4.08Å; L342-L357 HydrophobicContact CD1-CG 4.41Å
343	A	98.7	Very high	98.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-58	-45	178.3	0	0	0	0	0	111.6	Q330 L333 S334 V338 D339 C347	Q330-A343 HydrophobicContact CG-CB 4.34Å; L333-A343 HydrophobicContact CB-CB 3.89Å; L333-A343 HydrophobicContact CD1-CB 4.36Å; S334-A343 WeakPolarHBondContact OG-CB 3.39Å; V338-A343 HydrophobicContact CG1-CB 4.09Å; D339-A343 PolarHBondContact O-N 3.2Å; A343-C347 PolarHBondContact O-N 3.02Å; A343-C347 VanDerWaalsContact O-N 3.15Å; A343-C347 PolarHBondContact O-SG 3.38Å
344	K	98.5	Very high	98	Very high	129 Å²	129	44.4 Å²	44.4	56%	0.561	29%	0.286	S	S	*	.	H	α-helix	trans	-61.3	-49.1	173.6	-175.9	-179.5	177.6	-176.2	0	111.1	P340 G341 L342 L346 C347 S348	P340-K344 WeakPolarHBondContact O-CB 3.47Å; P340-K344 PolarHBondContact O-N 2.66Å; P340-K344 VanDerWaalsContact O-N 3.09Å; G341-K344 PolarHBondContact O-N 2.99Å; L342-K344 VanDerWaalsContact C-N 3.32Å; L342-K344 PolarHBondContact O-N 3.32Å; K344-L346 VanDerWaalsContact C-N 3.35Å; K344-L346 PolarHBondContact O-N 2.87Å; K344-C347 PolarHBondContact O-N 3.33Å; K344-S348 PolarHBondContact O-N 3.11Å; K344-S348 PolarHBondContact O-OG 3.2Å
345	A	98.5	Very high	97.9	Very high	35 Å²	35	47.7 Å²	47.7	29%	0.289	29%	0.293	S	S	.	.	H	α-helix	trans	-61	-40.7	-178	0	0	0	0	0	112.6	G341 L342 G349 L357	G341-A345 WeakPolarHBondContact O-CB 3.48Å; G341-A345 PolarHBondContact O-N 3.32Å; L342-A345 PolarHBondContact O-N 2.9Å; L342-A345 VanDerWaalsContact O-N 3.14Å; A345-G349 WeakPolarHBondContact O-CA 3.4Å; A345-G349 PolarHBondContact O-N 2.89Å; A345-L357 HydrophobicContact CB-CD1 3.72Å
346	L	98.5	Very high	97.8	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-62.6	-46.8	174.5	-73.7	170	0	0	0	111.8	I147 L277 L333 L342 K344 R354 L357 L358	I147-L346 HydrophobicContact CG2-CD1 3.76Å; L277-L346 HydrophobicContact CD1-CB 4.39Å; L333-L346 HydrophobicContact CD1-CD1 4.36Å; L342-L346 HydrophobicContact CD1-CD1 4.11Å; L342-L346 HydrophobicContact CD1-CG 4.04Å; L342-L346 HydrophobicContact CG-CD1 4.04Å; L342-L346 HydrophobicContact CG-CG 4.42Å; L342-L346 WeakPolarHBondContact O-CG 3.48Å; L342-L346 PolarHBondContact O-N 3.45Å; K344-L346 VanDerWaalsContact C-N 3.35Å; K344-L346 PolarHBondContact O-N 2.87Å; L346-R354 WeakPolarHBondContact O-CG 3.38Å; L346-R354 PolarHBondContact O-NE 3.15Å; L346-L357 HydrophobicContact CD2-CB 3.82Å; L346-L357 HydrophobicContact CD2-CD1 4.08Å; L346-L357 HydrophobicContact CG-CD1 4.35Å; L346-L358 HydrophobicContact CD1-CD2 4.2Å; L346-L358 HydrophobicContact CD2-CD1 4.11Å; L346-L358 HydrophobicContact CD2-CD2 3.77Å; L346-L358 HydrophobicContact CD2-CG 3.72Å
347	C	98.5	Very high	97.7	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.014	33%	0.331	C	S	.	.	H	α-helix	trans	-76.3	-38.1	-174.7	-64.7	0	0	0	0	113	R326 Q330 A343 K344 R354	R326-C347 VanDerWaalsContact CD-O 3.27Å; R326-C347 WeakPolarHBondContact CD-O 3.42Å; R326-C347 HydrophobicContact CG-CB 4.1Å; Q330-C347 VanDerWaalsContact CA-SG 3.57Å; Q330-C347 HydrophobicContact CB-CB 3.96Å; Q330-C347 VanDerWaalsContact CB-SG 3.55Å; Q330-C347 HydrophobicContact CG-CB 4.15Å; A343-C347 PolarHBondContact O-N 3.02Å; A343-C347 VanDerWaalsContact O-N 3.15Å; A343-C347 PolarHBondContact O-SG 3.38Å; K344-C347 PolarHBondContact O-N 3.33Å; C347-R354 PolarHBondContact O-NH2 3.09Å
348	S	97.4	Very high	97.7	Very high	80 Å²	80	54.6 Å²	54.6	56%	0.559	31%	0.307	S	S	*	.	H	α-helix	trans	-89.6	-13.6	178.1	65	0	0	0	0	114.2	K344	K344-S348 PolarHBondContact O-N 3.11Å; K344-S348 PolarHBondContact O-OG 3.2Å
349	G	96.5	Very high	97.6	Very high	7 Å²	7	56.7 Å²	56.7	7%	0.072	32%	0.321	C	S	.	.	S	Bend	trans	-74.2	150	-176.8	0	0	0	0	0	112.9	A345 R354	A345-G349 WeakPolarHBondContact O-CA 3.4Å; A345-G349 PolarHBondContact O-N 2.89Å; G349-R354 PolarHBondContact O-NE 3.3Å; G349-R354 VanDerWaalsContact O-NE 3.08Å; G349-R354 PolarHBondContact O-NH2 3.3Å; G349-R354 VanDerWaalsContact O-NH2 3.1Å
350	S	97.2	Very high	97.4	Very high	50 Å²	50	54.5 Å²	54.5	35%	0.35	31%	0.308	S	S	.	.			trans	-63.3	161.9	168.1	62.4	0	0	0	0	111.7	T352 Q353 R354	S350-T352 PolarHBondContact O-N 3.33Å; S350-T352 VanDerWaalsContact O-N 3.14Å; S350-Q353 PolarHBondContact O-N 3.1Å; S350-Q353 WeakPolarHBondContact OG-CG 3.34Å; S350-Q353 PolarHBondContact OG-N 3.29Å; S350-Q353 PolarHBondContact OG-OE1 2.86Å; S350-R354 PolarHBondContact O-N 3.42Å
351	P	96.8	Very high	97.3	Very high	58 Å²	58	51 Å²	51	38%	0.377	29%	0.286	S	S	.	.	H	α-helix	trans	-51.5	-37.7	174.8	-29.8	36.7	0	0	0	113.9	L278 R354 R355	L278-P351 HydrophobicContact CD1-CG 4.24Å; P351-R354 PolarHBondContact O-N 2.98Å; P351-R355 PolarHBondContact O-N 3.02Å
352	T	96.7	Very high	97	Very high	90 Å²	90	59.7 Å²	59.7	55%	0.552	31%	0.305	S	S	*	.	H	α-helix	trans	-66.6	-38.8	177	-53.8	0	0	0	0	112.5	S350	S350-T352 PolarHBondContact O-N 3.33Å; S350-T352 VanDerWaalsContact O-N 3.14Å
353	Q	97.3	Very high	96.9	Very high	98 Å²	98	63.5 Å²	63.5	46%	0.458	32%	0.322	S	S	.	.	H	α-helix	trans	-69.6	-40	177.3	-72.9	166.2	-47.3	0	0	111.3	S350 R355 Q356 L357	S350-Q353 PolarHBondContact O-N 3.1Å; S350-Q353 WeakPolarHBondContact OG-CG 3.34Å; S350-Q353 PolarHBondContact OG-N 3.29Å; S350-Q353 PolarHBondContact OG-OE1 2.86Å; Q353-R355 VanDerWaalsContact C-N 3.3Å; Q353-R355 PolarHBondContact O-N 3.15Å; Q353-Q356 WeakPolarHBondContact O-CB 3.49Å; Q353-Q356 PolarHBondContact O-N 3.09Å; Q353-L357 WeakPolarHBondContact O-CG 3.27Å; Q353-L357 PolarHBondContact O-N 2.89Å
354	R	97.7	Very high	96.8	Very high	2 Å²	2	68.8 Å²	68.8	1%	0.008	35%	0.347	C	S	.	.	H	α-helix	trans	-57.5	-44	175.8	-67.7	168.4	-176.9	157	5.2	111.7	L277 D281 L346 C347 G349 S350 P351 Q356 L357 L358	L277-R354 HydrophobicContact CD1-CG 4.28Å; D281-R354 VanDerWaalsContact CG-NH2 3.26Å; D281-R354 IonicContact OD1-NH2 3.64Å; D281-R354 PolarHBondContact OD1-NH2 3.18Å; D281-R354 IonicContact OD2-CZ 2.77Å; D281-R354 IonicContact OD2-NH1 2.65Å; D281-R354 PolarHBondContact OD2-NH1 3.38Å; D281-R354 IonicContact OD2-NH2 2.97Å; D281-R354 PolarHBondContact OD2-NH2 3.33Å; L346-R354 WeakPolarHBondContact O-CG 3.38Å; L346-R354 PolarHBondContact O-NE 3.15Å; C347-R354 PolarHBondContact O-NH2 3.09Å; G349-R354 PolarHBondContact O-NE 3.3Å; G349-R354 VanDerWaalsContact O-NE 3.08Å; G349-R354 PolarHBondContact O-NH2 3.3Å; G349-R354 VanDerWaalsContact O-NH2 3.1Å; S350-R354 PolarHBondContact O-N 3.42Å; P351-R354 PolarHBondContact O-N 2.98Å; R354-Q356 PolarHBondContact O-N 3.14Å; R354-Q356 VanDerWaalsContact O-N 3.15Å; R354-L357 PolarHBondContact O-N 2.8Å; R354-L358 PolarHBondContact O-N 2.79Å; R354-L358 VanDerWaalsContact O-N 3.1Å
355	R	95.6	Very high	96.8	Very high	105 Å²	105	64 Å²	64	40%	0.396	33%	0.326	S	S	.	.	H	α-helix	trans	-59.8	-23.9	175.3	-75.2	-173.4	-123.1	-108.8	9.4	114.9	E274 P351 Q353 H360 E408	E274-R355 WeakPolarHBondContact OE1-CA 3.34Å; E274-R355 WeakPolarHBondContact OE1-CG 3.33Å; E274-R355 PolarHBondContact OE1-N 3.1Å; P351-R355 PolarHBondContact O-N 3.02Å; Q353-R355 VanDerWaalsContact C-N 3.3Å; Q353-R355 PolarHBondContact O-N 3.15Å; R355-H360 VanDerWaalsContact CA-NE2 3.31Å; R355-H360 WeakPolarHBondContact CA-NE2 3.41Å; R355-H360 PolarHBondContact O-CD2 3.35Å; R355-H360 PolarHBondContact O-NE2 2.6Å; R355-E408 IonicContact NH1-OE1 3.91Å; R355-E408 PolarHBondContact NH1-OE1 2.88Å
356	Q	96	Very high	96.7	Very high	156 Å²	156	65.8 Å²	65.8	73%	0.729	33%	0.329	S	S	*	.	H	α-helix	trans	-86.9	-19.6	177	-66.8	174.1	-8	0	0	112.6	Q353 R354	Q353-Q356 WeakPolarHBondContact O-CB 3.49Å; Q353-Q356 PolarHBondContact O-N 3.09Å; R354-Q356 PolarHBondContact O-N 3.14Å; R354-Q356 VanDerWaalsContact O-N 3.15Å
357	L	97.4	Very high	96.7	Very high	63 Å²	63	65.9 Å²	65.9	33%	0.33	33%	0.329	S	S	.	.	H	α-helix	trans	-95.3	-22.5	-176	-65.8	170.8	0	0	0	112.8	L342 A345 L346 Q353 R354	L342-L357 HydrophobicContact CD1-CB 4.05Å; L342-L357 HydrophobicContact CD1-CD1 4.41Å; L342-L357 HydrophobicContact CD1-CD2 4.08Å; L342-L357 HydrophobicContact CD1-CG 4.41Å; A345-L357 HydrophobicContact CB-CD1 3.72Å; L346-L357 HydrophobicContact CD2-CB 3.82Å; L346-L357 HydrophobicContact CD2-CD1 4.08Å; L346-L357 HydrophobicContact CG-CD1 4.35Å; Q353-L357 WeakPolarHBondContact O-CG 3.27Å; Q353-L357 PolarHBondContact O-N 2.89Å; R354-L357 PolarHBondContact O-N 2.8Å
358	L	97.7	Very high	96.7	Very high	10 Å²	10	70 Å²	70	5%	0.052	35%	0.35	C	S	.	.	S	Bend	trans	-103.2	156.9	-178	-64.4	176.5	0	0	0	111.8	I147 T270 V273 E274 L346 R354 H360	I147-L358 HydrophobicContact CG1-CD2 4.2Å; T270-L358 HydrophobicContact CG2-CB 3.51Å; T270-L358 HydrophobicContact CG2-CD1 4.06Å; T270-L358 HydrophobicContact CG2-CG 4.41Å; V273-L358 HydrophobicContact CB-CD1 4.5Å; V273-L358 HydrophobicContact CG1-CD1 4.07Å; E274-L358 HydrophobicContact CG-CD1 3.71Å; L346-L358 HydrophobicContact CD1-CD2 4.2Å; L346-L358 HydrophobicContact CD2-CD1 4.11Å; L346-L358 HydrophobicContact CD2-CD2 3.77Å; L346-L358 HydrophobicContact CD2-CG 3.72Å; R354-L358 PolarHBondContact O-N 2.79Å; R354-L358 VanDerWaalsContact O-N 3.1Å; L358-H360 PolarHBondContact O-CD2 2.83Å; L358-H360 PolarHBondContact O-N 3.04Å
359	P	96.1	Very high	96.8	Very high	47 Å²	47	66.3 Å²	66.3	31%	0.305	33%	0.325	S	S	.	.			trans	-73.1	118.1	179.3	27.5	-31.4	0	0	0	110.9	S146 T270 P403 G404	S146-P359 WeakPolarHBondContact O-CD 3.37Å; S146-P359 VanDerWaalsContact O-CG 3.31Å; S146-P359 WeakPolarHBondContact O-CG 3.2Å; T270-P359 WeakPolarHBondContact CB-O 3.48Å; T270-P359 WeakPolarHBondContact CG2-O 3.32Å; T270-P359 PolarHBondContact OG1-O 3.4Å; P359-P403 HydrophobicContact CB-CG 4.19Å; P359-P403 HydrophobicContact CG-CB 4.18Å; P359-P403 HydrophobicContact CG-CG 3.82Å; P359-G404 VanDerWaalsContact O-CA 3.25Å; P359-G404 WeakPolarHBondContact O-CA 3.43Å
360	H	95.3	Very high	96.8	Very high	52 Å²	52	69.5 Å²	69.5	24%	0.241	34%	0.344	C	S	.	.			trans	-106.4	155.8	171.5	-76	-86.8	0	0	0	111.9	E274 R355 L358	E274-H360 IonicContact OE1-CE1 3.44Å; E274-H360 PolarHBondContact OE1-CE1 3.42Å; E274-H360 IonicContact OE1-NE2 3.9Å; E274-H360 PolarHBondContact OE1-NE2 3.29Å; E274-H360 IonicContact OE2-CE1 3.79Å; R355-H360 VanDerWaalsContact CA-NE2 3.31Å; R355-H360 WeakPolarHBondContact CA-NE2 3.41Å; R355-H360 PolarHBondContact O-CD2 3.35Å; R355-H360 PolarHBondContact O-NE2 2.6Å; L358-H360 PolarHBondContact O-CD2 2.83Å; L358-H360 PolarHBondContact O-N 3.04Å
361	A	95.6	Very high	96.8	Very high	11 Å²	11	69.2 Å²	69.2	9%	0.091	35%	0.345	C	S	.	.			trans	-66	156.3	169.8	0	0	0	0	0	111.7	G404 H427 L428 D429	A361-G404 WeakPolarHBondContact CB-O 3.25Å; A361-G404 PolarHBondContact N-O 3.05Å; A361-H427 HydrophobicContact CB-CB 3.91Å; A361-L428 VanDerWaalsContact CB-N 3.34Å; A361-D429 VanDerWaalsContact CA-OD1 3.25Å; A361-D429 WeakPolarHBondContact CA-OD1 3.12Å
362	R	92.8	Very high	96.9	Very high	227 Å²	227	71.6 Å²	71.6	86%	0.857	36%	0.355	S	S	*	.	S	Bend	trans	-71.3	-35.3	-177.5	-67	175.2	-178.3	-177.3	-0.2	113.8	D429	R362-D429 WeakPolarHBondContact CG-OD1 3.43Å; R362-D429 PolarHBondContact N-OD1 3.39Å
363	E	95.7	Very high	97	Very high	110 Å²	110	67.9 Å²	67.9	51%	0.514	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	154.7	-174.8	-66	-175	-166.7	0	0	111.4	L428	E363-L428 HydrophobicContact CB-CD1 4.07Å; E363-L428 HydrophobicContact CB-CG 4.14Å; E363-L428 PolarHBondContact N-O 2.93Å; E363-L428 PolarHBondContact O-N 3.49Å
364	Q	96.9	Very high	97	Very high	111 Å²	111	63.6 Å²	63.6	52%	0.519	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	135.5	175.2	-69.3	172.3	1.4	0	0	109.4	R425 V426 H427	Q364-R425 HydrophobicContact CB-CG 4.18Å; Q364-V426 CarbonylContact C-O 3.33Å; Q364-V426 VanDerWaalsContact CA-O 3.25Å; Q364-V426 WeakPolarHBondContact CA-O 3.31Å; Q364-H427 PolarHBondContact NE2-CE1 2.91Å; Q364-H427 PolarHBondContact NE2-ND1 2.75Å; Q364-H427 VanDerWaalsContact NE2-ND1 3.18Å
365	E	97.6	Very high	97	Very high	28 Å²	28	63.5 Å²	63.5	13%	0.131	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127.3	176	-167.4	-173.4	144.4	0	0	109.9	V426 L428 L433 R438	E365-V426 PolarHBondContact N-O 2.74Å; E365-V426 PolarHBondContact O-N 3.34Å; E365-L428 HydrophobicContact CB-CD2 3.85Å; E365-L433 PolarHBondContact OE2-N 2.84Å; E365-L433 VanDerWaalsContact OE2-N 3.11Å; E365-R438 IonicContact OE1-CZ 3.67Å; E365-R438 IonicContact OE1-NE 2.71Å; E365-R438 IonicContact OE1-NH1 3.28Å; E365-R438 PolarHBondContact OE1-NH1 3.32Å; E365-R438 VanDerWaalsContact OE1-NH1 3.09Å; E365-R438 IonicContact OE1-NH2 3.32Å; E365-R438 PolarHBondContact OE1-NH2 2.73Å; E365-R438 IonicContact OE2-NH2 2.79Å
366	E	98.3	Very high	97	Very high	74 Å²	74	60.6 Å²	60.6	35%	0.346	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	137.5	177.6	-67.2	-173.4	165.6	0	0	111.9	P422 L424 R425	E366-P422 HydrophobicContact CB-CB 4.35Å; E366-P422 WeakPolarHBondContact OE2-CB 3.2Å; E366-P422 VanDerWaalsContact OE2-CG 3.3Å; E366-P422 WeakPolarHBondContact OE2-CG 3.45Å; E366-L424 CarbonylContact C-O 3.53Å; E366-L424 WeakPolarHBondContact CA-O 3.1Å; E366-R425 HydrophobicContact CG-CB 4.14Å; E366-R425 HydrophobicContact CG-CG 3.99Å; E366-R425 IonicContact OE1-CZ 3.93Å; E366-R425 VanDerWaalsContact OE1-CZ 3.23Å; E366-R425 IonicContact OE1-NE 3.9Å; E366-R425 PolarHBondContact OE1-NE 2.67Å; E366-R425 IonicContact OE1-NH2 3.5Å; E366-R425 PolarHBondContact OE1-NH2 3.46Å
367	L	98.4	Very high	97	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.01	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	133.5	170.2	-59.9	-175.5	0	0	0	110.2	P422 W423 L424 L433 R438 L441	L367-P422 WeakPolarHBondContact O-CA 3.49Å; L367-W423 HydrophobicContact CB-CZ2 4.26Å; L367-W423 HydrophobicContact CD1-CZ2 4.03Å; L367-W423 PolarHBondContact O-N 2.96Å; L367-L424 HydrophobicContact CB-CB 4.32Å; L367-L424 HydrophobicContact CD1-CD2 4.03Å; L367-L424 PolarHBondContact N-O 2.86Å; L367-L433 HydrophobicContact CD2-CD1 4.35Å; L367-R438 HydrophobicContact CD2-CG 3.89Å; L367-L441 HydrophobicContact CD1-CB 3.44Å; L367-L441 VanDerWaalsContact CD1-CB 3.44Å; L367-L441 HydrophobicContact CD1-CD1 4.07Å; L367-L441 HydrophobicContact CD1-CG 4.41Å
368	L	98.5	Very high	97	Very high	88 Å²	88	51.7 Å²	51.7	46%	0.461	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	149.3	-175.7	-51.3	-174.7	0	0	0	111.3	T421 P422 Q442	L368-T421 WeakPolarHBondContact CA-O 3.21Å; L368-P422 HydrophobicContact CD2-CB 4.11Å; L368-P422 HydrophobicContact CD2-CG 3.71Å; L368-Q442 PolarHBondContact O-NE2 2.94Å
369	A	98.4	Very high	97	Very high	4 Å²	4	57.9 Å²	57.9	3%	0.033	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-62.8	129.2	176.1	0	0	0	0	0	110.2	L417 S418 G420 T421	A369-L417 HydrophobicContact CB-CD1 4.44Å; A369-L417 HydrophobicContact CB-CD2 3.6Å; A369-L417 HydrophobicContact CB-CG 3.75Å; A369-S418 WeakPolarHBondContact CB-O 3.41Å; A369-G420 PolarHBondContact O-N 3.01Å; A369-T421 WeakPolarHBondContact CB-O 3.22Å; A369-T421 PolarHBondContact N-O 3.23Å
370	P	97.3	Very high	97.1	Very high	73 Å²	73	55.7 Å²	55.7	47%	0.474	27%	0.274	S	S	.	.	S	Bend	trans	-79.1	-23.8	-175	31.7	-31.8	0	0	0	112.5	R419	P370-R419 PolarHBondContact O-NE 3.3Å
371	A	97.6	Very high	97.2	Very high	45 Å²	45	54.9 Å²	54.9	37%	0.372	27%	0.271	S	S	.	.	S	Bend	trans	-149.5	167.3	-178.4	0	0	0	0	0	109.7
372	D	98	Very high	97.3	Very high	107 Å²	107	55.8 Å²	55.8	57%	0.572	28%	0.276	S	S	*	.			trans	-71.1	151.2	165.7	-54.4	-55.6	0	0	0	109.8	L417 S418 R419	D372-L417 CarbonylContact C-O 3.6Å; D372-L417 WeakPolarHBondContact CA-O 3.44Å; D372-S418 VanDerWaalsContact OD1-CA 3.23Å; D372-S418 WeakPolarHBondContact OD1-CA 3.5Å; D372-R419 PolarHBondContact OD1-N 3.08Å
373	G	97.9	Very high	97.5	Very high	12 Å²	12	45 Å²	45	12%	0.124	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.5	-178.7	173.1	0	0	0	0	0	113.6	L417	G373-L417 PolarHBondContact N-O 3.46Å; G373-L417 PolarHBondContact O-N 3.2Å
374	I	97.9	Very high	97.5	Very high	9 Å²	9	40.1 Å²	40.1	5%	0.046	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	133.5	173.4	-56.4	-47.1	0	0	0	110	E376 Q415 C416 L447 S448 R450 P452 F453	I374-E376 PolarHBondContact O-N 2.86Å; I374-Q415 WeakPolarHBondContact CA-O 3.5Å; I374-C416 VanDerWaalsContact CD1-CA 3.47Å; I374-C416 HydrophobicContact CD1-CB 3.55Å; I374-L447 CarbonylContact O-C 3.58Å; I374-L447 VanDerWaalsContact O-CA 3.23Å; I374-L447 WeakPolarHBondContact O-CA 3.46Å; I374-S448 PolarHBondContact N-O 3.49Å; I374-S448 PolarHBondContact O-N 2.72Å; I374-R450 WeakPolarHBondContact CG1-O 3.5Å; I374-P452 HydrophobicContact CD1-CG 3.74Å; I374-F453 HydrophobicContact CG2-CD1 4.34Å; I374-F453 HydrophobicContact CG2-CE1 4.12Å
375	V	97.4	Very high	97.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	100.9	175	-176	0	0	0	0	109.5	V378 V411 D412 G414 Q415 L417 L445 L447	V375-V378 HydrophobicContact CG1-CG2 4.36Å; V375-V411 HydrophobicContact CG1-CG2 4.31Å; V375-V411 HydrophobicContact CG2-CB 4.25Å; V375-V411 HydrophobicContact CG2-CG2 4.09Å; V375-D412 WeakPolarHBondContact CB-O 3.36Å; V375-G414 PolarHBondContact O-N 3Å; V375-Q415 PolarHBondContact N-O 3.09Å; V375-L417 HydrophobicContact CG2-CB 4.01Å; V375-L417 HydrophobicContact CG2-CD2 4.01Å; V375-L445 HydrophobicContact CG1-CD1 4.08Å; V375-L445 HydrophobicContact CG2-CD1 4.4Å; V375-L447 HydrophobicContact CG2-CD2 4.08Å
376	E	96.6	Very high	97.4	Very high	43 Å²	43	40.7 Å²	40.7	20%	0.201	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	-45.1	175.6	-73.7	-69.6	146.5	0	0	111.4	I374 V413 V446 S448 R450	I374-E376 PolarHBondContact O-N 2.86Å; E376-V413 VanDerWaalsContact O-CG1 3.26Å; E376-V413 WeakPolarHBondContact O-CG1 3.44Å; E376-V446 HydrophobicContact CB-CB 4.39Å; E376-V446 HydrophobicContact CB-CG1 4.11Å; E376-V446 PolarHBondContact N-O 3.44Å; E376-S448 VanDerWaalsContact CG-CB 3.43Å; E376-S448 WeakPolarHBondContact CG-OG 3.46Å; E376-S448 VanDerWaalsContact OE1-CB 3.31Å; E376-S448 WeakPolarHBondContact OE1-CB 3.49Å; E376-S448 PolarHBondContact OE1-OG 2.88Å; E376-R450 WeakPolarHBondContact OE1-CD 3.45Å; E376-R450 IonicContact OE2-NH1 3.21Å
377	C	95.8	Very high	97.3	Very high	29 Å²	29	37.3 Å²	37.3	20%	0.196	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	159.9	175.1	66.9	0	0	0	0	111.6	N261 V446	N261-C377 VanDerWaalsContact OD1-CA 3.25Å; N261-C377 WeakPolarHBondContact OD1-CA 3.16Å; N261-C377 WeakPolarHBondContact OD1-CB 3.36Å; C377-V446 PolarHBondContact O-N 2.99Å; C377-V446 VanDerWaalsContact SG-CG2 3.51Å
378	V	97.6	Very high	97	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.024	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	107.4	163.7	175.5	0	0	0	0	106.8	N261 P262 V375 A380 V409 W423 A444 L445	N261-V378 WeakPolarHBondContact CA-O 3.37Å; N261-V378 PolarHBondContact OD1-N 2.75Å; N261-V378 PolarHBondContact OD1-O 2.89Å; P262-V378 WeakPolarHBondContact CD-O 3.3Å; V375-V378 HydrophobicContact CG1-CG2 4.36Å; V378-A380 PolarHBondContact O-N 2.96Å; V378-A380 VanDerWaalsContact O-N 3.11Å; V378-V409 HydrophobicContact CG1-CG2 4.48Å; V378-V409 HydrophobicContact CG2-CG1 4.07Å; V378-W423 HydrophobicContact CG1-CZ3 3.83Å; V378-W423 HydrophobicContact CG2-CE3 4.31Å; V378-W423 HydrophobicContact CG2-CZ3 4.18Å; V378-A444 CarbonylContact C-O 3.52Å; V378-A444 WeakPolarHBondContact CA-O 3.3Å; V378-L445 HydrophobicContact CG2-CD1 4.26Å
379	R	98.1	Very high	96.7	Very high	139 Å²	139	40.2 Å²	40.2	53%	0.525	21%	0.209	S	C	.	.			trans	-61.6	117	-176.7	-63.8	175.4	177.2	-113	-0	110.3	L381 P382 A444 V446	R379-L381 PolarHBondContact O-N 3.15Å; R379-P382 HydrophobicContact CB-CG 3.95Å; R379-P382 WeakPolarHBondContact O-CD 3.32Å; R379-A444 HydrophobicContact CB-CB 4.23Å; R379-A444 PolarHBondContact N-O 3.14Å; R379-V446 HydrophobicContact CG-CG2 4.11Å
380	A	97.4	Very high	96.5	Very high	1 Å²	1	41 Å²	41	1%	0.008	21%	0.213	C	C	.	.	H	α-helix	trans	-65.2	-39.5	-177.8	0	0	0	0	0	114	V107 A225 D260 P262 V378 L383 A384	V107-A380 HydrophobicContact CB-CB 3.82Å; V107-A380 HydrophobicContact CG1-CB 4.06Å; V107-A380 HydrophobicContact CG2-CB 4.03Å; A225-A380 HydrophobicContact CB-CB 3.34Å; D260-A380 WeakPolarHBondContact O-CB 3.35Å; D260-A380 PolarHBondContact O-N 3.05Å; P262-A380 HydrophobicContact CG-CB 4.19Å; V378-A380 PolarHBondContact O-N 2.96Å; V378-A380 VanDerWaalsContact O-N 3.11Å; A380-L383 WeakPolarHBondContact O-CB 3.47Å; A380-L383 PolarHBondContact O-N 3.04Å; A380-A384 WeakPolarHBondContact O-CB 3.32Å; A380-A384 PolarHBondContact O-N 2.93Å
381	L	96.8	Very high	96.3	Very high	35 Å²	35	38 Å²	38	18%	0.183	20%	0.195	C	C	.	.	H	α-helix	trans	-67.4	-46.8	-171.8	179.7	65.3	0	0	0	113.4	H136 G224 A225 R379 L383 A384 R385	H136-L381 HydrophobicContact CB-CD1 4.26Å; G224-L381 WeakPolarHBondContact O-CD2 3.5Å; A225-L381 HydrophobicContact CB-CB 3.87Å; R379-L381 PolarHBondContact O-N 3.15Å; L381-L383 VanDerWaalsContact C-N 3.27Å; L381-L383 PolarHBondContact O-N 2.98Å; L381-A384 PolarHBondContact O-N 3.18Å; L381-R385 HydrophobicContact CD1-CG 4.24Å; L381-R385 WeakPolarHBondContact O-CG 3.19Å; L381-R385 PolarHBondContact O-N 3.1Å
382	P	97.5	Very high	96.1	Very high	30 Å²	30	36.5 Å²	36.5	20%	0.195	18%	0.182	C	C	.	.	H	α-helix	trans	-56.8	-40.9	172.6	-26	34.7	0	0	0	113	R379 R385 V386 T440 A444	R379-P382 HydrophobicContact CB-CG 3.95Å; R379-P382 WeakPolarHBondContact O-CD 3.32Å; P382-R385 PolarHBondContact O-N 3.18Å; P382-V386 WeakPolarHBondContact O-CG2 3.29Å; P382-V386 PolarHBondContact O-N 2.94Å; P382-V386 VanDerWaalsContact O-N 3.13Å; P382-T440 HydrophobicContact CB-CG2 3.89Å; P382-A444 HydrophobicContact CB-CB 4.03Å; P382-A444 HydrophobicContact CG-CB 4.39Å
383	L	97.1	Very high	95.6	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-61.5	-52.6	177.5	-174.9	62.8	0	0	0	110.8	P262 V267 A380 L381 R385 V386 L387 A407 L424 L441	P262-L383 HydrophobicContact CG-CD2 3.8Å; V267-L383 HydrophobicContact CB-CD2 4.25Å; V267-L383 HydrophobicContact CG2-CD2 3.76Å; A380-L383 WeakPolarHBondContact O-CB 3.47Å; A380-L383 PolarHBondContact O-N 3.04Å; L381-L383 VanDerWaalsContact C-N 3.27Å; L381-L383 PolarHBondContact O-N 2.98Å; L383-R385 VanDerWaalsContact C-N 3.34Å; L383-R385 PolarHBondContact O-N 3.35Å; L383-V386 PolarHBondContact O-N 3.29Å; L383-L387 HydrophobicContact CD1-CD1 4.21Å; L383-L387 HydrophobicContact CD1-CG 4.4Å; L383-L387 HydrophobicContact CG-CD1 4.04Å; L383-L387 VanDerWaalsContact O-CG 3.29Å; L383-L387 WeakPolarHBondContact O-CG 3.41Å; L383-L387 PolarHBondContact O-N 2.94Å; L383-A407 HydrophobicContact CD1-CB 3.8Å; L383-L424 HydrophobicContact CD1-CD1 4.07Å; L383-L424 HydrophobicContact CD1-CD2 3.81Å; L383-L424 HydrophobicContact CD2-CD1 4.46Å; L383-L441 HydrophobicContact CD1-CD2 3.53Å
384	A	96.2	Very high	94.9	Very high	8 Å²	8	32.7 Å²	32.7	7%	0.066	16%	0.157	C	C	.	.	H	α-helix	trans	-58.4	-42.6	179.4	0	0	0	0	0	113	V107 H136 A380 L381 L387 H388	V107-A384 HydrophobicContact CB-CB 4.45Å; V107-A384 HydrophobicContact CG1-CB 3.99Å; V107-A384 HydrophobicContact CG2-CB 3.58Å; H136-A384 HydrophobicContact CB-CB 4.3Å; H136-A384 WeakPolarHBondContact O-CB 3.5Å; A380-A384 WeakPolarHBondContact O-CB 3.32Å; A380-A384 PolarHBondContact O-N 2.93Å; L381-A384 PolarHBondContact O-N 3.18Å; A384-L387 PolarHBondContact O-N 2.79Å; A384-H388 VanDerWaalsContact O-CB 3.31Å; A384-H388 WeakPolarHBondContact O-CB 3.09Å; A384-H388 PolarHBondContact O-N 3.48Å
385	R	95.5	Very high	94.2	Very high	146 Å²	146	36.3 Å²	36.3	55%	0.551	18%	0.183	S	C	*	.	H	α-helix	trans	-62.3	-46.2	178.2	-74.4	175	175.5	-179.7	-1.8	112.4	L381 P382 L383 H388 D389	L381-R385 HydrophobicContact CD1-CG 4.24Å; L381-R385 WeakPolarHBondContact O-CG 3.19Å; L381-R385 PolarHBondContact O-N 3.1Å; P382-R385 PolarHBondContact O-N 3.18Å; L383-R385 VanDerWaalsContact C-N 3.34Å; L383-R385 PolarHBondContact O-N 3.35Å; R385-H388 WeakPolarHBondContact O-CB 3.43Å; R385-H388 PolarHBondContact O-N 3.13Å; R385-D389 PolarHBondContact O-N 2.98Å; R385-D389 VanDerWaalsContact O-N 3.08Å
386	V	96.7	Very high	93.5	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.024	22%	0.216	C	C	.	.	H	α-helix	trans	-66.5	-41.7	179.1	172.2	0	0	0	0	110.8	P382 L383 H388 D389 L390 L433 Q437 T440 L441	P382-V386 WeakPolarHBondContact O-CG2 3.29Å; P382-V386 PolarHBondContact O-N 2.94Å; P382-V386 VanDerWaalsContact O-N 3.13Å; L383-V386 PolarHBondContact O-N 3.29Å; V386-H388 VanDerWaalsContact C-N 3.32Å; V386-H388 PolarHBondContact O-N 2.58Å; V386-D389 PolarHBondContact O-N 3.33Å; V386-L390 HydrophobicContact CG1-CD1 3.94Å; V386-L390 HydrophobicContact CG1-CG 4.39Å; V386-L390 VanDerWaalsContact O-CG 3.25Å; V386-L390 WeakPolarHBondContact O-CG 3.41Å; V386-L390 PolarHBondContact O-N 3.38Å; V386-L433 HydrophobicContact CG1-CD2 4.42Å; V386-Q437 HydrophobicContact CG1-CB 3.9Å; V386-Q437 HydrophobicContact CG1-CG 4.01Å; V386-Q437 HydrophobicContact CG2-CB 4.47Å; V386-T440 HydrophobicContact CG2-CG2 3.63Å; V386-L441 HydrophobicContact CB-CD2 3.81Å; V386-L441 HydrophobicContact CB-CG 4.06Å; V386-L441 HydrophobicContact CG1-CD1 3.79Å; V386-L441 HydrophobicContact CG1-CD2 4Å; V386-L441 HydrophobicContact CG1-CG 3.85Å; V386-L441 HydrophobicContact CG2-CD2 4.09Å; V386-L441 HydrophobicContact CG2-CG 4.06Å
387	L	96.2	Very high	92.4	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.021	23%	0.234	C	C	.	.	H	α-helix	trans	-64.5	-37.8	176.9	-65.8	178.8	0	0	0	112.2	V267 L383 A384 L390 G391 A392 A407 V426	V267-L387 HydrophobicContact CB-CD1 3.85Å; V267-L387 HydrophobicContact CG1-CD1 3.58Å; L383-L387 HydrophobicContact CD1-CD1 4.21Å; L383-L387 HydrophobicContact CD1-CG 4.4Å; L383-L387 HydrophobicContact CG-CD1 4.04Å; L383-L387 VanDerWaalsContact O-CG 3.29Å; L383-L387 WeakPolarHBondContact O-CG 3.41Å; L383-L387 PolarHBondContact O-N 2.94Å; A384-L387 PolarHBondContact O-N 2.79Å; L387-L390 HydrophobicContact CD2-CD1 4.31Å; L387-L390 PolarHBondContact O-N 3.33Å; L387-G391 PolarHBondContact O-N 2.89Å; L387-A392 HydrophobicContact CB-CB 4.1Å; L387-A392 VanDerWaalsContact O-CB 3.28Å; L387-A392 WeakPolarHBondContact O-CB 3.16Å; L387-A392 PolarHBondContact O-N 3.34Å; L387-A407 HydrophobicContact CD1-CB 4.01Å; L387-A407 HydrophobicContact CD2-CB 4.19Å; L387-V426 HydrophobicContact CD2-CG1 4.31Å
388	H	92.8	Very high	91.6	Very high	40 Å²	40	48.4 Å²	48.4	19%	0.185	26%	0.262	C	S	.	.	I	π-helix	trans	-56.3	-49.6	172	-173.4	96.8	0	0	0	111.2	A384 R385 V386 L390 G391 G393 R394	A384-H388 VanDerWaalsContact O-CB 3.31Å; A384-H388 WeakPolarHBondContact O-CB 3.09Å; A384-H388 PolarHBondContact O-N 3.48Å; R385-H388 WeakPolarHBondContact O-CB 3.43Å; R385-H388 PolarHBondContact O-N 3.13Å; V386-H388 VanDerWaalsContact C-N 3.32Å; V386-H388 PolarHBondContact O-N 2.58Å; H388-L390 PolarHBondContact O-N 3.5Å; H388-G391 PolarHBondContact O-N 3.43Å; H388-G393 WeakPolarHBondContact ND1-CA 3.46Å; H388-R394 PolarHBondContact CE1-N 3.27Å; H388-R394 PolarHBondContact CE1-O 3.38Å; H388-R394 PolarHBondContact NE2-O 3.35Å
389	D	92.5	Very high	90.9	Very high	111 Å²	111	50.8 Å²	50.8	59%	0.594	27%	0.273	S	S	*	.	I	π-helix	trans	-63.1	-30	178.1	-65.7	-17.9	0	0	0	112.8	R385 V386 G391	R385-D389 PolarHBondContact O-N 2.98Å; R385-D389 VanDerWaalsContact O-N 3.08Å; V386-D389 PolarHBondContact O-N 3.33Å; D389-G391 PolarHBondContact O-N 3.47Å
390	L	94.3	Very high	90.5	Very high	21 Å²	21	49.5 Å²	49.5	11%	0.11	28%	0.282	C	S	.	.	I	π-helix	trans	-78.5	-7.7	176.5	-66.1	170.9	0	0	0	113.4	V386 L387 H388 R402 V405 V426 L433	V386-L390 HydrophobicContact CG1-CD1 3.94Å; V386-L390 HydrophobicContact CG1-CG 4.39Å; V386-L390 VanDerWaalsContact O-CG 3.25Å; V386-L390 WeakPolarHBondContact O-CG 3.41Å; V386-L390 PolarHBondContact O-N 3.38Å; L387-L390 HydrophobicContact CD2-CD1 4.31Å; L387-L390 PolarHBondContact O-N 3.33Å; H388-L390 PolarHBondContact O-N 3.5Å; L390-R402 PolarHBondContact O-NH1 3.14Å; L390-R402 VanDerWaalsContact O-NH1 3.14Å; L390-V405 HydrophobicContact CB-CG1 3.71Å; L390-V426 HydrophobicContact CD1-CG1 4.02Å; L390-L433 HydrophobicContact CD1-CD2 3.83Å; L390-L433 HydrophobicContact CD2-CD2 4.35Å
391	G	92.5	Very high	90.2	Very high	10 Å²	10	50.9 Å²	50.9	10%	0.103	29%	0.289	C	S	.	.	I	π-helix	trans	107.3	11.8	175.6	0	0	0	0	0	115.2	L387 H388 D389 G393 R402	L387-G391 PolarHBondContact O-N 2.89Å; H388-G391 PolarHBondContact O-N 3.43Å; D389-G391 PolarHBondContact O-N 3.47Å; G391-G393 PolarHBondContact O-N 3.21Å; G391-R402 PolarHBondContact O-N 3.06Å
392	A	93.4	Very high	90	Very high	12 Å²	12	54.7 Å²	54.7	10%	0.099	30%	0.301	C	S	.	.	I	π-helix	trans	-81.7	11	169.7	0	0	0	0	0	113	H269 L387 V405	H269-A392 PolarHBondContact CE1-O 3.04Å; L387-A392 HydrophobicContact CB-CB 4.1Å; L387-A392 VanDerWaalsContact O-CB 3.28Å; L387-A392 WeakPolarHBondContact O-CB 3.16Å; L387-A392 PolarHBondContact O-N 3.34Å; A392-V405 HydrophobicContact CB-CB 4.44Å; A392-V405 HydrophobicContact CB-CG1 4.11Å
393	G	87.4	Confident	90	Very high	3 Å²	3	55.2 Å²	55.2	3%	0.031	31%	0.305	C	S	.	.	S	Bend	trans	-150.5	-174.7	175.2	0	0	0	0	0	111.4	H388 G391	H388-G393 WeakPolarHBondContact ND1-CA 3.46Å; G391-G393 PolarHBondContact O-N 3.21Å
394	R	83.8	Confident	89.9	Confident	36 Å²	36	55.2 Å²	55.2	14%	0.136	31%	0.305	C	S	.	.			trans	-116	130.9	-178.5	-62.3	-173.3	180	88	2.8	110.6	D142 H388 Q399 I401	D142-R394 VanDerWaalsContact CG-NH1 3.25Å; D142-R394 IonicContact OD1-CZ 3.4Å; D142-R394 VanDerWaalsContact OD1-CZ 3.31Å; D142-R394 IonicContact OD1-NH1 3.14Å; D142-R394 PolarHBondContact OD1-NH1 2.62Å; D142-R394 IonicContact OD1-NH2 2.73Å; D142-R394 PolarHBondContact OD1-NH2 2.85Å; D142-R394 IonicContact OD2-CZ 3.17Å; D142-R394 IonicContact OD2-NH1 3.58Å; D142-R394 PolarHBondContact OD2-NH1 2.93Å; D142-R394 IonicContact OD2-NH2 3.75Å; H388-R394 PolarHBondContact CE1-N 3.27Å; H388-R394 PolarHBondContact CE1-O 3.38Å; H388-R394 PolarHBondContact NE2-O 3.35Å; R394-Q399 HydrophobicContact CB-CB 4.4Å; R394-Q399 WeakPolarHBondContact CD-O 3.17Å; R394-Q399 HydrophobicContact CG-CB 4.31Å; R394-Q399 PolarHBondContact NE-O 3.4Å; R394-I401 HydrophobicContact CG-CD1 4.1Å; R394-I401 HydrophobicContact CG-CG1 3.94Å
395	S	83	Confident	90	Very high	85 Å²	85	54.9 Å²	54.9	59%	0.594	30%	0.302	S	S	*	.	S	Bend	trans	-93.6	-13	168.7	-52.4	0	0	0	0	112.1
396	R	81.9	Confident	90.1	Very high	179 Å²	179	48 Å²	48	68%	0.675	28%	0.276	S	S	*	.	S	Bend	trans	-149.7	151.1	176.3	61.7	-176.1	179	-179	0.5	111.1	G398 Q399	R396-G398 PolarHBondContact O-N 3.09Å; R396-Q399 HydrophobicContact CG-CB 4Å; R396-Q399 VanDerWaalsContact O-CB 3.26Å; R396-Q399 WeakPolarHBondContact O-CB 3.46Å; R396-Q399 PolarHBondContact O-N 2.86Å
397	A	74.2	Confident	90.2	Very high	71 Å²	71	47.8 Å²	47.8	59%	0.587	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	138.1	176.2	0	0	0	0	0	111.4	Q399	A397-Q399 VanDerWaalsContact C-N 3.25Å; A397-Q399 PolarHBondContact O-N 3.4Å
398	G	78.1	Confident	90.3	Very high	76 Å²	76	48.7 Å²	48.7	78%	0.784	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	-1.4	180	0	0	0	0	0	115.8	R396	R396-G398 PolarHBondContact O-N 3.09Å
399	Q	84.3	Confident	90.5	Very high	54 Å²	54	47.3 Å²	47.3	25%	0.252	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-62.8	131	174.6	-178.7	177.1	-8	0	0	111	R394 R396 A397	R394-Q399 HydrophobicContact CB-CB 4.4Å; R394-Q399 WeakPolarHBondContact CD-O 3.17Å; R394-Q399 HydrophobicContact CG-CB 4.31Å; R394-Q399 PolarHBondContact NE-O 3.4Å; R396-Q399 HydrophobicContact CG-CB 4Å; R396-Q399 VanDerWaalsContact O-CB 3.26Å; R396-Q399 WeakPolarHBondContact O-CB 3.46Å; R396-Q399 PolarHBondContact O-N 2.86Å; A397-Q399 VanDerWaalsContact C-N 3.25Å; A397-Q399 PolarHBondContact O-N 3.4Å
400	P	87.9	Confident	90.8	Very high	112 Å²	112	44.5 Å²	44.5	73%	0.727	26%	0.258	S	S	*	.	P	Polyproline II helix	trans	-62.7	141.6	170.6	-22	33.2	0	0	0	111.5
401	I	91	Very high	91	Very high	30 Å²	30	43.8 Å²	43.8	15%	0.154	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-96.5	152	173.7	-72.2	-179.2	0	0	0	109.2	D142 H269 R394 P403	D142-I401 HydrophobicContact CB-CD1 3.93Å; H269-I401 WeakPolarHBondContact CE1-CG2 3.21Å; H269-I401 WeakPolarHBondContact ND1-CG2 3.25Å; R394-I401 HydrophobicContact CG-CD1 4.1Å; R394-I401 HydrophobicContact CG-CG1 3.94Å; I401-P403 VanDerWaalsContact O-CD 3.32Å; I401-P403 WeakPolarHBondContact O-CD 3.3Å
402	R	94.6	Very high	91.1	Very high	116 Å²	116	46.3 Å²	46.3	44%	0.438	27%	0.266	S	S	.	.			trans	-97.1	98.9	170	-61	174.3	-179.8	-178.3	-13	109.1	L390 G391 G404 V405 D429	L390-R402 PolarHBondContact O-NH1 3.14Å; L390-R402 VanDerWaalsContact O-NH1 3.14Å; G391-R402 PolarHBondContact O-N 3.06Å; R402-G404 VanDerWaalsContact C-N 3.28Å; R402-G404 PolarHBondContact O-N 2.89Å; R402-V405 HydrophobicContact CB-CB 4.12Å; R402-V405 HydrophobicContact CB-CG2 3.6Å; R402-V405 HydrophobicContact CG-CG2 4.48Å; R402-V405 PolarHBondContact O-N 2.89Å; R402-D429 PolarHBondContact NH1-O 2.81Å
403	P	95.7	Very high	91.1	Very high	40 Å²	40	47 Å²	47	26%	0.26	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-27.6	-169.4	25.8	-34.6	0	0	0	113.6	H269 T270 P359 I401 V405	H269-P403 HydrophobicContact CB-CB 4.13Å; T270-P403 PolarHBondContact N-O 3.38Å; T270-P403 PolarHBondContact OG1-O 2.78Å; P359-P403 HydrophobicContact CB-CG 4.19Å; P359-P403 HydrophobicContact CG-CB 4.18Å; P359-P403 HydrophobicContact CG-CG 3.82Å; I401-P403 VanDerWaalsContact O-CD 3.32Å; I401-P403 WeakPolarHBondContact O-CD 3.3Å; P403-V405 VanDerWaalsContact C-N 3.34Å
404	G	96.9	Very high	91.5	Very high	2 Å²	2	47.1 Å²	47.1	2%	0.021	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-16.3	177.3	0	0	0	0	0	114.5	P359 A361 R402 H427	P359-G404 VanDerWaalsContact O-CA 3.25Å; P359-G404 WeakPolarHBondContact O-CA 3.43Å; A361-G404 WeakPolarHBondContact CB-O 3.25Å; A361-G404 PolarHBondContact N-O 3.05Å; R402-G404 VanDerWaalsContact C-N 3.28Å; R402-G404 PolarHBondContact O-N 2.89Å; G404-H427 WeakPolarHBondContact O-CB 3.31Å
405	V	96.8	Very high	92	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.006	28%	0.28	C	S	.	.			trans	-73.9	134.5	175.7	174.1	0	0	0	0	109.5	L390 A392 R402 P403 H427 D429	L390-V405 HydrophobicContact CB-CG1 3.71Å; A392-V405 HydrophobicContact CB-CB 4.44Å; A392-V405 HydrophobicContact CB-CG1 4.11Å; R402-V405 HydrophobicContact CB-CB 4.12Å; R402-V405 HydrophobicContact CB-CG2 3.6Å; R402-V405 HydrophobicContact CG-CG2 4.48Å; R402-V405 PolarHBondContact O-N 2.89Å; P403-V405 VanDerWaalsContact C-N 3.34Å; V405-H427 WeakPolarHBondContact CA-O 3.35Å; V405-D429 HydrophobicContact CG2-CB 4.08Å
406	G	97.8	Very high	92.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.3	-169.2	-177.6	0	0	0	0	0	112.6	V267 H427	V267-G406 CarbonylContact O-C 3.57Å; V267-G406 WeakPolarHBondContact O-CA 3.41Å; G406-H427 PolarHBondContact N-O 3.02Å; G406-H427 PolarHBondContact O-N 3.27Å
407	A	98.5	Very high	93.4	Very high	0 Å²	0	40 Å²	40	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	146.6	173.8	0	0	0	0	0	112.6	V267 L383 L387 L424 R425	V267-A407 PolarHBondContact N-O 3.41Å; V267-A407 PolarHBondContact O-N 2.95Å; L383-A407 HydrophobicContact CD1-CB 3.8Å; L387-A407 HydrophobicContact CD1-CB 4.01Å; L387-A407 HydrophobicContact CD2-CB 4.19Å; A407-L424 HydrophobicContact CB-CD1 3.99Å; A407-L424 HydrophobicContact CB-CG 4.35Å; A407-R425 CarbonylContact C-O 3.2Å; A407-R425 WeakPolarHBondContact CA-O 3.27Å
408	E	98.6	Very high	94.5	Very high	24 Å²	24	39.9 Å²	39.9	11%	0.112	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	122	168.2	-65.6	173.6	113.3	0	0	108.8	R265 L271 R355 L410 L424 R425 H427	R265-E408 CarbonylContact O-C 3.57Å; R265-E408 WeakPolarHBondContact O-CA 3.43Å; L271-E408 HydrophobicContact CD1-CG 4.2Å; L271-E408 HydrophobicContact CD2-CG 4.3Å; R355-E408 IonicContact NH1-OE1 3.91Å; R355-E408 PolarHBondContact NH1-OE1 2.88Å; E408-L410 HydrophobicContact CB-CD2 4.09Å; E408-L424 WeakPolarHBondContact O-CA 3.47Å; E408-R425 HydrophobicContact CB-CB 4.37Å; E408-R425 PolarHBondContact N-O 3.06Å; E408-R425 PolarHBondContact O-N 3.39Å; E408-R425 IonicContact OE2-NH1 2.73Å; E408-R425 PolarHBondContact OE2-NH1 3.34Å; E408-H427 IonicContact OE2-CE1 2.63Å; E408-H427 PolarHBondContact OE2-CE1 3.02Å; E408-H427 IonicContact OE2-NE2 2.82Å; E408-H427 PolarHBondContact OE2-NE2 3.24Å
409	V	98.3	Very high	95.4	Very high	11 Å²	11	44.8 Å²	44.8	7%	0.067	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	118.2	169.1	-174.3	0	0	0	0	108	R265 V378 V411 L424	R265-V409 HydrophobicContact CB-CB 4.45Å; R265-V409 PolarHBondContact O-N 2.92Å; V378-V409 HydrophobicContact CG1-CG2 4.48Å; V378-V409 HydrophobicContact CG2-CG1 4.07Å; V409-V411 HydrophobicContact CG1-CG2 4.22Å; V409-V411 WeakPolarHBondContact CG1-O 3.42Å; V409-L424 HydrophobicContact CG2-CD1 4.03Å
410	L	98.3	Very high	96.1	Very high	51 Å²	51	44 Å²	44	27%	0.267	24%	0.241	S	C	.	.			trans	-94.6	-2.4	-171.4	-54.5	-179	0	0	0	113.5	E408 P422 W423 R425	E408-L410 HydrophobicContact CB-CD2 4.09Å; L410-P422 HydrophobicContact CD1-CB 3.75Å; L410-W423 PolarHBondContact N-O 3.22Å; L410-R425 HydrophobicContact CD1-CB 4.17Å; L410-R425 HydrophobicContact CD2-CB 4.31Å; L410-R425 HydrophobicContact CG-CB 4.42Å
411	V	97	Very high	96.6	Very high	6 Å²	6	41.2 Å²	41.2	4%	0.036	22%	0.222	C	C	.	.	S	Bend	trans	-126.8	154.6	-176.4	-66	0	0	0	0	110.5	V375 V409 L417 W423	V375-V411 HydrophobicContact CG1-CG2 4.31Å; V375-V411 HydrophobicContact CG2-CB 4.25Å; V375-V411 HydrophobicContact CG2-CG2 4.09Å; V409-V411 HydrophobicContact CG1-CG2 4.22Å; V409-V411 WeakPolarHBondContact CG1-O 3.42Å; V411-L417 HydrophobicContact CG1-CD1 3.59Å; V411-L417 HydrophobicContact CG1-CD2 4.25Å; V411-W423 HydrophobicContact CG1-CB 3.89Å; V411-W423 HydrophobicContact CG2-CB 3.98Å
412	D	94.7	Very high	96.9	Very high	63 Å²	63	41.9 Å²	41.9	34%	0.337	23%	0.228	S	C	.	.			trans	-96.5	148.3	172.3	-66.4	-51	0	0	0	111.6	R265 V375 Q415	R265-D412 IonicContact CZ-OD1 2.82Å; R265-D412 VanDerWaalsContact CZ-OD1 3.28Å; R265-D412 IonicContact CZ-OD2 3.3Å; R265-D412 IonicContact NE-OD1 2.66Å; R265-D412 PolarHBondContact NE-OD1 2.91Å; R265-D412 IonicContact NH2-OD1 3.56Å; R265-D412 PolarHBondContact NH2-OD1 3.18Å; R265-D412 IonicContact NH2-OD2 2.91Å; R265-D412 PolarHBondContact NH2-OD2 3.13Å; V375-D412 WeakPolarHBondContact CB-O 3.36Å; D412-Q415 HydrophobicContact CB-CB 4.27Å; D412-Q415 WeakPolarHBondContact O-CB 3.41Å; D412-Q415 PolarHBondContact O-N 2.86Å
413	V	94.9	Very high	97.1	Very high	28 Å²	28	36.4 Å²	36.4	17%	0.17	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	139.3	165.7	174.4	0	0	0	0	109.2	E376 Q415 F453 V455	E376-V413 VanDerWaalsContact O-CG1 3.26Å; E376-V413 WeakPolarHBondContact O-CG1 3.44Å; V413-Q415 PolarHBondContact O-N 3.23Å; V413-F453 HydrophobicContact CG1-CE2 3.96Å; V413-F453 HydrophobicContact CG1-CZ 3.88Å; V413-V455 HydrophobicContact CB-CG1 4.35Å; V413-V455 HydrophobicContact CB-CG2 3.74Å; V413-V455 HydrophobicContact CG1-CG1 4.4Å; V413-V455 HydrophobicContact CG1-CG2 4.05Å; V413-V455 WeakPolarHBondContact O-CG2 3.26Å
414	G	94.7	Very high	97.3	Very high	5 Å²	5	34.5 Å²	34.5	5%	0.052	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	-4.4	-174.7	0	0	0	0	0	114.6	V375 P452 F453	V375-G414 PolarHBondContact O-N 3Å; G414-P452 VanDerWaalsContact O-CA 3.26Å; G414-P452 WeakPolarHBondContact O-CA 3.28Å; G414-P452 VanDerWaalsContact O-CB 3.31Å; G414-P452 WeakPolarHBondContact O-CB 3.46Å; G414-F453 PolarHBondContact O-N 3.04Å
415	Q	95	Very high	97.4	Very high	71 Å²	71	37.4 Å²	37.4	33%	0.332	21%	0.205	S	C	.	.			trans	-76.9	143.8	177.1	-169.6	-168.3	-34.9	0	0	111.6	I374 V375 D412 V413	I374-Q415 WeakPolarHBondContact CA-O 3.5Å; V375-Q415 PolarHBondContact N-O 3.09Å; D412-Q415 HydrophobicContact CB-CB 4.27Å; D412-Q415 WeakPolarHBondContact O-CB 3.41Å; D412-Q415 PolarHBondContact O-N 2.86Å; V413-Q415 PolarHBondContact O-N 3.23Å
416	C	96.6	Very high	97.4	Very high	77 Å²	77	37.4 Å²	37.4	52%	0.52	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	128.2	164.7	-172.3	0	0	0	0	110.8	I374 P452	I374-C416 VanDerWaalsContact CD1-CA 3.47Å; I374-C416 HydrophobicContact CD1-CB 3.55Å; C416-P452 HydrophobicContact CB-CG 4.4Å
417	L	96.5	Very high	97.5	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	125.6	-176.3	-173.9	61.9	0	0	0	109.7	A369 D372 G373 V375 V411 T421 W423 L445 L447	A369-L417 HydrophobicContact CB-CD1 4.44Å; A369-L417 HydrophobicContact CB-CD2 3.6Å; A369-L417 HydrophobicContact CB-CG 3.75Å; D372-L417 CarbonylContact C-O 3.6Å; D372-L417 WeakPolarHBondContact CA-O 3.44Å; G373-L417 PolarHBondContact N-O 3.46Å; G373-L417 PolarHBondContact O-N 3.2Å; V375-L417 HydrophobicContact CG2-CB 4.01Å; V375-L417 HydrophobicContact CG2-CD2 4.01Å; V411-L417 HydrophobicContact CG1-CD1 3.59Å; V411-L417 HydrophobicContact CG1-CD2 4.25Å; L417-T421 HydrophobicContact CD1-CG2 3.59Å; L417-W423 HydrophobicContact CD2-CB 4.08Å; L417-L445 HydrophobicContact CD2-CD2 4.08Å; L417-L447 HydrophobicContact CD2-CD2 4.22Å
418	S	97.6	Very high	97.3	Very high	68 Å²	68	37.6 Å²	37.6	48%	0.476	21%	0.206	S	C	.	.			trans	-85.8	145.2	172.9	-57.5	0	0	0	0	111.6	A369 D372 G420 T421	A369-S418 WeakPolarHBondContact CB-O 3.41Å; D372-S418 VanDerWaalsContact OD1-CA 3.23Å; D372-S418 WeakPolarHBondContact OD1-CA 3.5Å; S418-G420 PolarHBondContact O-N 2.97Å; S418-T421 WeakPolarHBondContact O-CB 3.34Å; S418-T421 PolarHBondContact O-N 3.14Å; S418-T421 VanDerWaalsContact O-N 3.1Å; S418-T421 PolarHBondContact O-OG1 3.1Å
419	R	98.2	Very high	96.9	Very high	180 Å²	180	38.5 Å²	38.5	68%	0.679	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50	136.8	172.2	-178.9	176	179.1	-177.8	-0	110.7	P370 D372 T421	P370-R419 PolarHBondContact O-NE 3.3Å; D372-R419 PolarHBondContact OD1-N 3.08Å; R419-T421 VanDerWaalsContact C-N 3.26Å; R419-T421 PolarHBondContact O-N 2.83Å
420	G	98.2	Very high	96.4	Very high	38 Å²	38	39.7 Å²	39.7	39%	0.392	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	-9.8	-180	0	0	0	0	0	114.7	A369 S418	A369-G420 PolarHBondContact O-N 3.01Å; S418-G420 PolarHBondContact O-N 2.97Å
421	T	98.4	Very high	95.9	Very high	53 Å²	53	42.8 Å²	42.8	33%	0.325	25%	0.249	S	C	.	.			trans	-69.2	132.6	173.8	-54	0	0	0	0	110.5	L368 A369 L417 S418 R419 W423	L368-T421 WeakPolarHBondContact CA-O 3.21Å; A369-T421 WeakPolarHBondContact CB-O 3.22Å; A369-T421 PolarHBondContact N-O 3.23Å; L417-T421 HydrophobicContact CD1-CG2 3.59Å; S418-T421 WeakPolarHBondContact O-CB 3.34Å; S418-T421 PolarHBondContact O-N 3.14Å; S418-T421 VanDerWaalsContact O-N 3.1Å; S418-T421 PolarHBondContact O-OG1 3.1Å; R419-T421 VanDerWaalsContact C-N 3.26Å; R419-T421 PolarHBondContact O-N 2.83Å; T421-W423 PolarHBondContact O-N 3.32Å
422	P	98.6	Very high	95.8	Very high	44 Å²	44	45.3 Å²	45.3	29%	0.286	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	129.2	170.2	-24	33.8	0	0	0	111.9	E366 L367 L368 L410	E366-P422 HydrophobicContact CB-CB 4.35Å; E366-P422 WeakPolarHBondContact OE2-CB 3.2Å; E366-P422 VanDerWaalsContact OE2-CG 3.3Å; E366-P422 WeakPolarHBondContact OE2-CG 3.45Å; L367-P422 WeakPolarHBondContact O-CA 3.49Å; L368-P422 HydrophobicContact CD2-CB 4.11Å; L368-P422 HydrophobicContact CD2-CG 3.71Å; L410-P422 HydrophobicContact CD1-CB 3.75Å
423	W	98.6	Very high	95.9	Very high	1 Å²	1	42.8 Å²	42.8	0%	0.004	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	-21.6	179.7	74.2	-88.7	0	0	0	113.6	L367 V378 L410 V411 L417 T421 L441 A444 L445	L367-W423 HydrophobicContact CB-CZ2 4.26Å; L367-W423 HydrophobicContact CD1-CZ2 4.03Å; L367-W423 PolarHBondContact O-N 2.96Å; V378-W423 HydrophobicContact CG1-CZ3 3.83Å; V378-W423 HydrophobicContact CG2-CE3 4.31Å; V378-W423 HydrophobicContact CG2-CZ3 4.18Å; L410-W423 PolarHBondContact N-O 3.22Å; V411-W423 HydrophobicContact CG1-CB 3.89Å; V411-W423 HydrophobicContact CG2-CB 3.98Å; L417-W423 HydrophobicContact CD2-CB 4.08Å; T421-W423 PolarHBondContact O-N 3.32Å; W423-L441 VanDerWaalsContact CH2-O 3.23Å; W423-L441 WeakPolarHBondContact CH2-O 3.31Å; W423-L441 WeakPolarHBondContact CZ2-O 3.44Å; W423-A444 HydrophobicContact CH2-CB 4.37Å; W423-L445 HydrophobicContact CB-CD2 4.46Å; W423-L445 HydrophobicContact CD2-CB 4.06Å; W423-L445 HydrophobicContact CD2-CD1 4.14Å; W423-L445 HydrophobicContact CD2-CD2 3.9Å; W423-L445 HydrophobicContact CD2-CG 4.25Å; W423-L445 HydrophobicContact CE3-CB 4.12Å; W423-L445 HydrophobicContact CE3-CD1 3.98Å; W423-L445 HydrophobicContact CE3-CG 4.44Å; W423-L445 HydrophobicContact CG-CD1 4.47Å; W423-L445 HydrophobicContact CG-CD2 3.81Å; W423-L445 HydrophobicContact CH2-CB 4.01Å; W423-L445 HydrophobicContact CZ2-CB 3.93Å; W423-L445 HydrophobicContact CZ3-CB 4.1Å
424	L	98.8	Very high	96	Very high	0 Å²	0	44 Å²	44	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	135.1	176.3	-168.2	76	0	0	0	109.1	E366 L367 L383 A407 E408 V409 V426 L441	E366-L424 CarbonylContact C-O 3.53Å; E366-L424 WeakPolarHBondContact CA-O 3.1Å; L367-L424 HydrophobicContact CB-CB 4.32Å; L367-L424 HydrophobicContact CD1-CD2 4.03Å; L367-L424 PolarHBondContact N-O 2.86Å; L383-L424 HydrophobicContact CD1-CD1 4.07Å; L383-L424 HydrophobicContact CD1-CD2 3.81Å; L383-L424 HydrophobicContact CD2-CD1 4.46Å; A407-L424 HydrophobicContact CB-CD1 3.99Å; A407-L424 HydrophobicContact CB-CG 4.35Å; E408-L424 WeakPolarHBondContact O-CA 3.47Å; V409-L424 HydrophobicContact CG2-CD1 4.03Å; L424-V426 HydrophobicContact CD2-CG2 3.83Å; L424-V426 HydrophobicContact CG-CG2 4.27Å; L424-L441 HydrophobicContact CD2-CB 4.38Å; L424-L441 HydrophobicContact CD2-CD1 4.36Å; L424-L441 HydrophobicContact CD2-CD2 4.16Å
425	R	98.5	Very high	96.1	Very high	63 Å²	63	47.6 Å²	47.6	24%	0.238	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	122.8	166.3	-173.8	179.7	-59.9	142.5	-4.4	109.3	Q364 E366 A407 E408 L410	Q364-R425 HydrophobicContact CB-CG 4.18Å; E366-R425 HydrophobicContact CG-CB 4.14Å; E366-R425 HydrophobicContact CG-CG 3.99Å; E366-R425 IonicContact OE1-CZ 3.93Å; E366-R425 VanDerWaalsContact OE1-CZ 3.23Å; E366-R425 IonicContact OE1-NE 3.9Å; E366-R425 PolarHBondContact OE1-NE 2.67Å; E366-R425 IonicContact OE1-NH2 3.5Å; E366-R425 PolarHBondContact OE1-NH2 3.46Å; A407-R425 CarbonylContact C-O 3.2Å; A407-R425 WeakPolarHBondContact CA-O 3.27Å; E408-R425 HydrophobicContact CB-CB 4.37Å; E408-R425 PolarHBondContact N-O 3.06Å; E408-R425 PolarHBondContact O-N 3.39Å; E408-R425 IonicContact OE2-NH1 2.73Å; E408-R425 PolarHBondContact OE2-NH1 3.34Å; L410-R425 HydrophobicContact CD1-CB 4.17Å; L410-R425 HydrophobicContact CD2-CB 4.31Å; L410-R425 HydrophobicContact CG-CB 4.42Å
426	V	98.5	Very high	96.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	130.4	177.5	-174.4	0	0	0	0	109.1	Q364 E365 L387 L390 L424 L428 L433 L441	Q364-V426 CarbonylContact C-O 3.33Å; Q364-V426 VanDerWaalsContact CA-O 3.25Å; Q364-V426 WeakPolarHBondContact CA-O 3.31Å; E365-V426 PolarHBondContact N-O 2.74Å; E365-V426 PolarHBondContact O-N 3.34Å; L387-V426 HydrophobicContact CD2-CG1 4.31Å; L390-V426 HydrophobicContact CD1-CG1 4.02Å; L424-V426 HydrophobicContact CD2-CG2 3.83Å; L424-V426 HydrophobicContact CG-CG2 4.27Å; V426-L428 HydrophobicContact CG1-CD2 4.31Å; V426-L433 HydrophobicContact CB-CD1 4.4Å; V426-L433 HydrophobicContact CG1-CD2 4.35Å; V426-L433 HydrophobicContact CG2-CD1 4.13Å; V426-L441 HydrophobicContact CG2-CD1 3.82Å
427	H	98.3	Very high	96.3	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.009	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	121.5	175.9	-64.3	-111.3	0	0	0	108	A361 Q364 G404 V405 G406 E408	A361-H427 HydrophobicContact CB-CB 3.91Å; Q364-H427 PolarHBondContact NE2-CE1 2.91Å; Q364-H427 PolarHBondContact NE2-ND1 2.75Å; Q364-H427 VanDerWaalsContact NE2-ND1 3.18Å; G404-H427 WeakPolarHBondContact O-CB 3.31Å; V405-H427 WeakPolarHBondContact CA-O 3.35Å; G406-H427 PolarHBondContact N-O 3.02Å; G406-H427 PolarHBondContact O-N 3.27Å; E408-H427 IonicContact OE2-CE1 2.63Å; E408-H427 PolarHBondContact OE2-CE1 3.02Å; E408-H427 IonicContact OE2-NE2 2.82Å; E408-H427 PolarHBondContact OE2-NE2 3.24Å
428	L	95.9	Very high	96.4	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.016	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	138.6	-169.8	57.9	119	0	0	0	113.9	A361 E363 E365 V426 G430 P431	A361-L428 VanDerWaalsContact CB-N 3.34Å; E363-L428 HydrophobicContact CB-CD1 4.07Å; E363-L428 HydrophobicContact CB-CG 4.14Å; E363-L428 PolarHBondContact N-O 2.93Å; E363-L428 PolarHBondContact O-N 3.49Å; E365-L428 HydrophobicContact CB-CD2 3.85Å; V426-L428 HydrophobicContact CG1-CD2 4.31Å; L428-G430 WeakPolarHBondContact CD1-O 3.45Å; L428-P431 WeakPolarHBondContact CD1-O 3.44Å
429	D	89.8	Confident	96.4	Very high	43 Å²	43	56.4 Å²	56.4	23%	0.23	31%	0.306	C	S	.	.	S	Bend	trans	-109	76.4	172.3	-78.3	-35.4	0	0	0	108.6	A361 R362 R402 V405	A361-D429 VanDerWaalsContact CA-OD1 3.25Å; A361-D429 WeakPolarHBondContact CA-OD1 3.12Å; R362-D429 WeakPolarHBondContact CG-OD1 3.43Å; R362-D429 PolarHBondContact N-OD1 3.39Å; R402-D429 PolarHBondContact NH1-O 2.81Å; V405-D429 HydrophobicContact CG2-CB 4.08Å
430	G	86.6	Confident	96.4	Very high	36 Å²	36	50 Å²	50	37%	0.371	29%	0.287	S	S	.	.	S	Bend	trans	167.7	-166.3	-174	0	0	0	0	0	112.9	L428	L428-G430 WeakPolarHBondContact CD1-O 3.45Å
431	P	89.4	Confident	96.4	Very high	115 Å²	115	48.2 Å²	48.2	75%	0.747	27%	0.269	S	S	*	.	S	Bend	trans	-64.4	157.5	172.7	30.5	-34.9	0	0	0	110.5	L428	L428-P431 WeakPolarHBondContact CD1-O 3.44Å
432	A	94.1	Very high	96.4	Very high	60 Å²	60	47.9 Å²	47.9	50%	0.496	26%	0.264	S	S	.	.	S	Bend	trans	-49.1	156.6	170.2	0	0	0	0	0	112.1	S434	A432-S434 PolarHBondContact O-N 3.45Å
433	L	96.9	Very high	96.3	Very high	9 Å²	9	48.2 Å²	48.2	5%	0.047	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-54.2	127.3	-177.9	-69	170.3	0	0	0	111	E365 L367 V386 L390 V426 Q437 R438 L441	E365-L433 PolarHBondContact OE2-N 2.84Å; E365-L433 VanDerWaalsContact OE2-N 3.11Å; L367-L433 HydrophobicContact CD2-CD1 4.35Å; V386-L433 HydrophobicContact CG1-CD2 4.42Å; L390-L433 HydrophobicContact CD1-CD2 3.83Å; L390-L433 HydrophobicContact CD2-CD2 4.35Å; V426-L433 HydrophobicContact CB-CD1 4.4Å; V426-L433 HydrophobicContact CG1-CD2 4.35Å; V426-L433 HydrophobicContact CG2-CD1 4.13Å; L433-Q437 HydrophobicContact CD2-CB 4.15Å; L433-R438 HydrophobicContact CB-CB 4.41Å; L433-L441 HydrophobicContact CD1-CD1 3.78Å; L433-L441 HydrophobicContact CD2-CD1 4.12Å
434	S	97	Very high	96.3	Very high	53 Å²	53	48.2 Å²	48.2	37%	0.371	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-58.5	154.9	171	67.7	0	0	0	0	110.2	A432 Q436 Q437 R438	A432-S434 PolarHBondContact O-N 3.45Å; S434-Q436 PolarHBondContact O-N 3.39Å; S434-Q436 VanDerWaalsContact O-N 3.09Å; S434-Q437 PolarHBondContact O-N 2.83Å; S434-Q437 VanDerWaalsContact O-N 3.12Å; S434-Q437 WeakPolarHBondContact OG-CB 3.45Å; S434-Q437 VanDerWaalsContact OG-CD 3.27Å; S434-Q437 VanDerWaalsContact OG-CG 3.26Å; S434-Q437 WeakPolarHBondContact OG-CG 3.42Å; S434-Q437 PolarHBondContact OG-N 3.09Å; S434-Q437 PolarHBondContact OG-OE1 2.71Å; S434-R438 WeakPolarHBondContact O-CB 3.5Å; S434-R438 PolarHBondContact O-N 2.92Å
435	S	97	Very high	96.3	Very high	82 Å²	82	49 Å²	49	57%	0.573	28%	0.279	S	S	*	.	H	α-helix	trans	-57	-31.6	179.2	-47.7	0	0	0	0	112.6	R439	S435-R439 WeakPolarHBondContact O-CB 3.09Å; S435-R439 WeakPolarHBondContact O-CG 3.23Å; S435-R439 PolarHBondContact O-N 3.02Å; S435-R439 VanDerWaalsContact O-N 3.08Å
436	Q	97.5	Very high	96.3	Very high	108 Å²	108	48 Å²	48	51%	0.505	28%	0.28	S	S	.	.	H	α-helix	trans	-71.2	-48.6	176.5	-176.3	57.3	29.8	0	0	111.9	S434 R438 R439 T440	S434-Q436 PolarHBondContact O-N 3.39Å; S434-Q436 VanDerWaalsContact O-N 3.09Å; Q436-R438 VanDerWaalsContact C-N 3.32Å; Q436-R438 PolarHBondContact O-N 3.31Å; Q436-R439 PolarHBondContact O-N 3.27Å; Q436-T440 PolarHBondContact NE2-OG1 2.87Å; Q436-T440 PolarHBondContact O-N 3.04Å; Q436-T440 PolarHBondContact O-OG1 3.14Å
437	Q	97.9	Very high	96.3	Very high	37 Å²	37	50.2 Å²	50.2	17%	0.173	29%	0.291	C	S	.	.	H	α-helix	trans	-59.2	-44.5	176.4	-72.4	163.3	-39.2	0	0	111.1	V386 L433 S434 R439 T440 L441	V386-Q437 HydrophobicContact CG1-CB 3.9Å; V386-Q437 HydrophobicContact CG1-CG 4.01Å; V386-Q437 HydrophobicContact CG2-CB 4.47Å; L433-Q437 HydrophobicContact CD2-CB 4.15Å; S434-Q437 PolarHBondContact O-N 2.83Å; S434-Q437 VanDerWaalsContact O-N 3.12Å; S434-Q437 WeakPolarHBondContact OG-CB 3.45Å; S434-Q437 VanDerWaalsContact OG-CD 3.27Å; S434-Q437 VanDerWaalsContact OG-CG 3.26Å; S434-Q437 WeakPolarHBondContact OG-CG 3.42Å; S434-Q437 PolarHBondContact OG-N 3.09Å; S434-Q437 PolarHBondContact OG-OE1 2.71Å; Q437-R439 PolarHBondContact O-N 2.83Å; Q437-T440 PolarHBondContact O-N 3.41Å; Q437-L441 WeakPolarHBondContact O-CB 3.4Å; Q437-L441 WeakPolarHBondContact O-CG 3Å; Q437-L441 PolarHBondContact O-N 2.85Å
438	R	97.9	Very high	96.2	Very high	108 Å²	108	51.2 Å²	51.2	41%	0.408	30%	0.299	S	S	.	.	H	α-helix	trans	-57.7	-47.3	175.4	-172	-172.8	-64.1	-106	0.3	111.7	E365 L367 L433 S434 Q436 L441 Q442	E365-R438 IonicContact OE1-CZ 3.67Å; E365-R438 IonicContact OE1-NE 2.71Å; E365-R438 IonicContact OE1-NH1 3.28Å; E365-R438 PolarHBondContact OE1-NH1 3.32Å; E365-R438 VanDerWaalsContact OE1-NH1 3.09Å; E365-R438 IonicContact OE1-NH2 3.32Å; E365-R438 PolarHBondContact OE1-NH2 2.73Å; E365-R438 IonicContact OE2-NH2 2.79Å; L367-R438 HydrophobicContact CD2-CG 3.89Å; L433-R438 HydrophobicContact CB-CB 4.41Å; S434-R438 WeakPolarHBondContact O-CB 3.5Å; S434-R438 PolarHBondContact O-N 2.92Å; Q436-R438 VanDerWaalsContact C-N 3.32Å; Q436-R438 PolarHBondContact O-N 3.31Å; R438-L441 PolarHBondContact O-N 2.69Å; R438-Q442 VanDerWaalsContact O-CB 3.27Å; R438-Q442 WeakPolarHBondContact O-CB 3.46Å; R438-Q442 PolarHBondContact O-N 3.21Å
439	R	98	Very high	96.2	Very high	149 Å²	149	59 Å²	59	56%	0.562	34%	0.34	S	S	*	.	H	α-helix	trans	-62	-43.6	176.4	-78.7	-172.7	-60.7	-97.8	3	112.2	S435 Q436 Q437 Q442 G443	S435-R439 WeakPolarHBondContact O-CB 3.09Å; S435-R439 WeakPolarHBondContact O-CG 3.23Å; S435-R439 PolarHBondContact O-N 3.02Å; S435-R439 VanDerWaalsContact O-N 3.08Å; Q436-R439 PolarHBondContact O-N 3.27Å; Q437-R439 PolarHBondContact O-N 2.83Å; R439-Q442 PolarHBondContact O-N 3.48Å; R439-G443 PolarHBondContact O-N 3.06Å
440	T	98.3	Very high	96.3	Very high	46 Å²	46	65.2 Å²	65.2	28%	0.282	36%	0.36	S	S	.	.	H	α-helix	trans	-61.9	-45.3	178.4	-66.4	0	0	0	0	111.5	P382 V386 Q436 Q437 G443 A444	P382-T440 HydrophobicContact CB-CG2 3.89Å; V386-T440 HydrophobicContact CG2-CG2 3.63Å; Q436-T440 PolarHBondContact NE2-OG1 2.87Å; Q436-T440 PolarHBondContact O-N 3.04Å; Q436-T440 PolarHBondContact O-OG1 3.14Å; Q437-T440 PolarHBondContact O-N 3.41Å; T440-G443 PolarHBondContact O-N 2.77Å; T440-A444 PolarHBondContact O-N 2.77Å
441	L	98.5	Very high	96.5	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-65.7	-44.7	175.5	-69.8	176	0	0	0	111.7	L367 L383 V386 W423 L424 V426 L433 Q437 R438 G443 A444	L367-L441 HydrophobicContact CD1-CB 3.44Å; L367-L441 VanDerWaalsContact CD1-CB 3.44Å; L367-L441 HydrophobicContact CD1-CD1 4.07Å; L367-L441 HydrophobicContact CD1-CG 4.41Å; L383-L441 HydrophobicContact CD1-CD2 3.53Å; V386-L441 HydrophobicContact CB-CD2 3.81Å; V386-L441 HydrophobicContact CB-CG 4.06Å; V386-L441 HydrophobicContact CG1-CD1 3.79Å; V386-L441 HydrophobicContact CG1-CD2 4Å; V386-L441 HydrophobicContact CG1-CG 3.85Å; V386-L441 HydrophobicContact CG2-CD2 4.09Å; V386-L441 HydrophobicContact CG2-CG 4.06Å; W423-L441 VanDerWaalsContact CH2-O 3.23Å; W423-L441 WeakPolarHBondContact CH2-O 3.31Å; W423-L441 WeakPolarHBondContact CZ2-O 3.44Å; L424-L441 HydrophobicContact CD2-CB 4.38Å; L424-L441 HydrophobicContact CD2-CD1 4.36Å; L424-L441 HydrophobicContact CD2-CD2 4.16Å; V426-L441 HydrophobicContact CG2-CD1 3.82Å; L433-L441 HydrophobicContact CD1-CD1 3.78Å; L433-L441 HydrophobicContact CD2-CD1 4.12Å; Q437-L441 WeakPolarHBondContact O-CB 3.4Å; Q437-L441 WeakPolarHBondContact O-CG 3Å; Q437-L441 PolarHBondContact O-N 2.85Å; R438-L441 PolarHBondContact O-N 2.69Å; L441-G443 VanDerWaalsContact C-N 3.28Å; L441-G443 PolarHBondContact O-N 2.94Å; L441-A444 WeakPolarHBondContact O-CB 3.45Å; L441-A444 PolarHBondContact O-N 2.94Å
442	Q	97.9	Very high	96.6	Very high	47 Å²	47	65.8 Å²	65.8	22%	0.22	36%	0.364	C	S	.	.	H	α-helix	trans	-60.6	-38.8	178.1	-163.8	70.2	51.3	0	0	112.1	L368 R438 R439 A444 L445	L368-Q442 PolarHBondContact O-NE2 2.94Å; R438-Q442 VanDerWaalsContact O-CB 3.27Å; R438-Q442 WeakPolarHBondContact O-CB 3.46Å; R438-Q442 PolarHBondContact O-N 3.21Å; R439-Q442 PolarHBondContact O-N 3.48Å; Q442-A444 PolarHBondContact O-N 3.42Å; Q442-L445 PolarHBondContact O-N 3.17Å
443	G	97.8	Very high	96.5	Very high	50 Å²	50	66.6 Å²	66.6	52%	0.515	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-6.3	174.9	0	0	0	0	0	114.5	R439 T440 L441	R439-G443 PolarHBondContact O-N 3.06Å; T440-G443 PolarHBondContact O-N 2.77Å; L441-G443 VanDerWaalsContact C-N 3.28Å; L441-G443 PolarHBondContact O-N 2.94Å
444	A	98.2	Very high	96.2	Very high	1 Å²	1	75.7 Å²	75.7	1%	0.008	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-28.7	172.6	0	0	0	0	0	112.1	V378 R379 P382 W423 T440 L441 Q442 V446	V378-A444 CarbonylContact C-O 3.52Å; V378-A444 WeakPolarHBondContact CA-O 3.3Å; R379-A444 HydrophobicContact CB-CB 4.23Å; R379-A444 PolarHBondContact N-O 3.14Å; P382-A444 HydrophobicContact CB-CB 4.03Å; P382-A444 HydrophobicContact CG-CB 4.39Å; W423-A444 HydrophobicContact CH2-CB 4.37Å; T440-A444 PolarHBondContact O-N 2.77Å; L441-A444 WeakPolarHBondContact O-CB 3.45Å; L441-A444 PolarHBondContact O-N 2.94Å; Q442-A444 PolarHBondContact O-N 3.42Å; A444-V446 PolarHBondContact O-N 2.53Å
445	L	98.6	Very high	95.7	Very high	17 Å²	17	76.3 Å²	76.3	9%	0.089	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	120.2	175	-179.2	68.2	0	0	0	110	V375 V378 L417 W423 Q442 L447	V375-L445 HydrophobicContact CG1-CD1 4.08Å; V375-L445 HydrophobicContact CG2-CD1 4.4Å; V378-L445 HydrophobicContact CG2-CD1 4.26Å; L417-L445 HydrophobicContact CD2-CD2 4.08Å; W423-L445 HydrophobicContact CB-CD2 4.46Å; W423-L445 HydrophobicContact CD2-CB 4.06Å; W423-L445 HydrophobicContact CD2-CD1 4.14Å; W423-L445 HydrophobicContact CD2-CD2 3.9Å; W423-L445 HydrophobicContact CD2-CG 4.25Å; W423-L445 HydrophobicContact CE3-CB 4.12Å; W423-L445 HydrophobicContact CE3-CD1 3.98Å; W423-L445 HydrophobicContact CE3-CG 4.44Å; W423-L445 HydrophobicContact CG-CD1 4.47Å; W423-L445 HydrophobicContact CG-CD2 3.81Å; W423-L445 HydrophobicContact CH2-CB 4.01Å; W423-L445 HydrophobicContact CZ2-CB 3.93Å; W423-L445 HydrophobicContact CZ3-CB 4.1Å; Q442-L445 PolarHBondContact O-N 3.17Å; L445-L447 HydrophobicContact CD1-CD2 4.11Å; L445-L447 HydrophobicContact CD2-CD1 4.23Å; L445-L447 HydrophobicContact CD2-CD2 4.15Å; L445-L447 HydrophobicContact CD2-CG 4.18Å; L445-L447 HydrophobicContact CG-CD2 4.05Å; L445-L447 HydrophobicContact CG-CG 4.13Å
446	V	97.9	Very high	95.4	Very high	41 Å²	41	77 Å²	77	25%	0.248	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	119.7	174.9	-175.3	0	0	0	0	108.9	E376 C377 R379 A444	E376-V446 HydrophobicContact CB-CB 4.39Å; E376-V446 HydrophobicContact CB-CG1 4.11Å; E376-V446 PolarHBondContact N-O 3.44Å; C377-V446 PolarHBondContact O-N 2.99Å; C377-V446 VanDerWaalsContact SG-CG2 3.51Å; R379-V446 HydrophobicContact CG-CG2 4.11Å; A444-V446 PolarHBondContact O-N 2.53Å
447	L	98	Very high	95.3	Very high	47 Å²	47	74 Å²	74	25%	0.246	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	149.3	177.4	-60	178.1	0	0	0	110.9	I374 V375 L417 L445	I374-L447 CarbonylContact O-C 3.58Å; I374-L447 VanDerWaalsContact O-CA 3.23Å; I374-L447 WeakPolarHBondContact O-CA 3.46Å; V375-L447 HydrophobicContact CG2-CD2 4.08Å; L417-L447 HydrophobicContact CD2-CD2 4.22Å; L445-L447 HydrophobicContact CD1-CD2 4.11Å; L445-L447 HydrophobicContact CD2-CD1 4.23Å; L445-L447 HydrophobicContact CD2-CD2 4.15Å; L445-L447 HydrophobicContact CD2-CG 4.18Å; L445-L447 HydrophobicContact CG-CD2 4.05Å; L445-L447 HydrophobicContact CG-CG 4.13Å
448	S	97	Very high	95.3	Very high	24 Å²	24	73 Å²	73	17%	0.168	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	171.1	170.2	81.7	0	0	0	0	112.5	I374 E376 R450	I374-S448 PolarHBondContact N-O 3.49Å; I374-S448 PolarHBondContact O-N 2.72Å; E376-S448 VanDerWaalsContact CG-CB 3.43Å; E376-S448 WeakPolarHBondContact CG-OG 3.46Å; E376-S448 VanDerWaalsContact OE1-CB 3.31Å; E376-S448 WeakPolarHBondContact OE1-CB 3.49Å; E376-S448 PolarHBondContact OE1-OG 2.88Å; S448-R450 VanDerWaalsContact C-N 3.34Å; S448-R450 WeakPolarHBondContact OG-CB 3.19Å; S448-R450 PolarHBondContact OG-N 3.45Å; S448-R450 VanDerWaalsContact OG-N 3.14Å
449	D	95.1	Very high	95.2	Very high	165 Å²	165	69.3 Å²	69.3	88%	0.882	37%	0.374	S	S	*	.	S	Bend	trans	-93.1	14.4	173.3	-55.7	-42.1	0	0	0	113
450	R	92.9	Very high	95.2	Very high	174 Å²	174	64.9 Å²	64.9	66%	0.657	37%	0.37	S	S	*	.	S	Bend	trans	-70.6	172.3	-180	-66.8	-173.3	-177.4	170	-1.5	111.4	I374 E376 S448	I374-R450 WeakPolarHBondContact CG1-O 3.5Å; E376-R450 WeakPolarHBondContact OE1-CD 3.45Å; E376-R450 IonicContact OE2-NH1 3.21Å; S448-R450 VanDerWaalsContact C-N 3.34Å; S448-R450 WeakPolarHBondContact OG-CB 3.19Å; S448-R450 PolarHBondContact OG-N 3.45Å; S448-R450 VanDerWaalsContact OG-N 3.14Å
451	A	91.3	Very high	95.1	Very high	76 Å²	76	65.8 Å²	65.8	63%	0.628	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-74.9	150.6	166.9	0	0	0	0	0	110.5
452	P	90.7	Very high	95	Very high	87 Å²	87	66.7 Å²	66.7	57%	0.565	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-50.9	142.4	170.3	-26.9	34.3	0	0	0	112.4	I374 G414 C416	I374-P452 HydrophobicContact CD1-CG 3.74Å; G414-P452 VanDerWaalsContact O-CA 3.26Å; G414-P452 WeakPolarHBondContact O-CA 3.28Å; G414-P452 VanDerWaalsContact O-CB 3.31Å; G414-P452 WeakPolarHBondContact O-CB 3.46Å; C416-P452 HydrophobicContact CB-CG 4.4Å
453	F	92.6	Very high	94.9	Very high	78 Å²	78	65.2 Å²	65.2	34%	0.342	37%	0.37	S	S	.	.			trans	-139.5	162.6	-176.5	63.3	-90.9	0	0	0	112.4	I374 V413 G414	I374-F453 HydrophobicContact CG2-CD1 4.34Å; I374-F453 HydrophobicContact CG2-CE1 4.12Å; V413-F453 HydrophobicContact CG1-CE2 3.96Å; V413-F453 HydrophobicContact CG1-CZ 3.88Å; G414-F453 PolarHBondContact O-N 3.04Å
454	K	89.3	Confident	94.7	Very high	199 Å²	199	64.1 Å²	64.1	87%	0.865	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-82.8	130.3	175.1	-172	178.3	-179.6	-178.8	0	110
455	V	87.7	Confident	94.1	Very high	66 Å²	66	64.2 Å²	64.2	40%	0.4	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-63.1	129.2	178.1	-168.8	0	0	0	0	110.2	V413	V413-V455 HydrophobicContact CB-CG1 4.35Å; V413-V455 HydrophobicContact CB-CG2 3.74Å; V413-V455 HydrophobicContact CG1-CG1 4.4Å; V413-V455 HydrophobicContact CG1-CG2 4.05Å; V413-V455 WeakPolarHBondContact O-CG2 3.26Å
456	P	91.2	Very high	93	Very high	98 Å²	98	68.9 Å²	68.9	64%	0.636	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-69.3	156.5	173.4	29.4	-34	0	0	0	111.2
457	S	95.5	Very high	91.8	Very high	45 Å²	45	72.5 Å²	72.5	32%	0.315	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-58.8	140.7	170.2	171.1	0	0	0	0	109.9	D290 F459	D290-S457 VanDerWaalsContact OD2-CB 3.28Å; D290-S457 WeakPolarHBondContact OD2-CB 3.23Å; D290-S457 PolarHBondContact OD2-OG 3.42Å; S457-F459 PolarHBondContact O-N 2.79Å; S457-F459 WeakPolarHBondContact OG-CB 3.32Å; S457-F459 PolarHBondContact OG-N 3.1Å
458	P	96.4	Very high	90.1	Very high	16 Å²	16	72.3 Å²	72.3	10%	0.104	41%	0.405	C	S	.	.	S	Bend	trans	-68.3	-15.6	170.2	29.7	-34.8	0	0	0	112.1	T257 A258 L263 D287 L291	T257-P458 CarbonylContact C-O 3.55Å; T257-P458 WeakPolarHBondContact CA-O 3.29Å; T257-P458 WeakPolarHBondContact CB-O 3.25Å; A258-P458 PolarHBondContact N-O 3.1Å; L263-P458 HydrophobicContact CD1-CG 4.26Å; D287-P458 HydrophobicContact CB-CG 4.42Å; L291-P458 HydrophobicContact CB-CG 4.28Å
459	F	97.2	Very high	87.6	Confident	29 Å²	29	75.3 Å²	75.3	13%	0.127	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	116.4	-179.2	-169.1	-77.8	0	0	0	111.3	A255 T257 L291 R294 L295 S457 L462	A255-F459 HydrophobicContact CB-CD2 4.23Å; A255-F459 HydrophobicContact CB-CE2 3.48Å; A255-F459 VanDerWaalsContact CB-CE2 3.48Å; A255-F459 HydrophobicContact CB-CZ 3.95Å; T257-F459 HydrophobicContact CG2-CD2 4.17Å; L291-F459 HydrophobicContact CD1-CB 4.43Å; L291-F459 HydrophobicContact CD1-CD2 4.02Å; R294-F459 HydrophobicContact CB-CD2 3.9Å; R294-F459 HydrophobicContact CB-CE2 4.18Å; R294-F459 HydrophobicContact CB-CG 4.34Å; L295-F459 HydrophobicContact CD2-CE2 4.09Å; S457-F459 PolarHBondContact O-N 2.79Å; S457-F459 WeakPolarHBondContact OG-CB 3.32Å; S457-F459 PolarHBondContact OG-N 3.1Å; F459-L462 HydrophobicContact CE1-CB 4.35Å; F459-L462 HydrophobicContact CZ-CB 4Å; F459-L462 HydrophobicContact CZ-CD1 4.27Å
460	A	96.4	Very high	85.4	Confident	56 Å²	56	74.1 Å²	74.1	46%	0.463	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-47.2	-175.4	0	0	0	0	0	113.6	F222 L256	F222-A460 HydrophobicContact CE1-CB 3.8Å; F222-A460 HydrophobicContact CZ-CB 3.92Å; L256-A460 PolarHBondContact O-N 2.74Å
461	E	96.5	Very high	82.9	Confident	66 Å²	66	73.9 Å²	73.9	31%	0.308	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	146	-169.8	-173.9	-174.3	152.9	0	0	110.7	R235 A255 L256	R235-E461 IonicContact CZ-OE2 2.74Å; R235-E461 VanDerWaalsContact CZ-OE2 3.3Å; R235-E461 IonicContact NE-OE1 2.75Å; R235-E461 IonicContact NE-OE2 3.65Å; R235-E461 PolarHBondContact NE-OE2 2.98Å; R235-E461 IonicContact NH2-OE2 3.02Å; R235-E461 PolarHBondContact NH2-OE2 2.81Å; A255-E461 CarbonylContact C-O 3.41Å; A255-E461 WeakPolarHBondContact CA-O 3.45Å; L256-E461 HydrophobicContact CB-CB 4.24Å; L256-E461 HydrophobicContact CD1-CB 4.24Å; L256-E461 PolarHBondContact N-O 3.46Å; L256-E461 PolarHBondContact O-N 2.92Å
462	L	97	Very high	82.4	Confident	19 Å²	19	73.8 Å²	73.8	10%	0.099	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	116.3	169	-170.9	64	0	0	0	110	A253 A255 A298 W301 F459 L464	A253-L462 HydrophobicContact CB-CD1 4.31Å; A255-L462 HydrophobicContact CB-CD1 4.04Å; A298-L462 HydrophobicContact CB-CD1 4.45Å; A298-L462 HydrophobicContact CB-CD2 4.12Å; W301-L462 HydrophobicContact CZ3-CD2 3.97Å; F459-L462 HydrophobicContact CE1-CB 4.35Å; F459-L462 HydrophobicContact CZ-CB 4Å; F459-L462 HydrophobicContact CZ-CD1 4.27Å; L462-L464 HydrophobicContact CD2-CD2 3.8Å; L462-L464 HydrophobicContact CG-CD2 3.96Å; L462-L464 HydrophobicContact CG-CG 4.5Å
463	V	96.3	Very high	82	Confident	16 Å²	16	73.1 Å²	73.1	10%	0.097	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	113.7	174.1	-175.2	0	0	0	0	108.7	A238 K239 V242 A253 A254	A238-V463 HydrophobicContact CB-CB 4.47Å; A238-V463 HydrophobicContact CB-CG2 4.07Å; K239-V463 HydrophobicContact CG-CG1 4.24Å; V242-V463 HydrophobicContact CG2-CG1 4.31Å; A253-V463 WeakPolarHBondContact CA-O 2.91Å; A253-V463 WeakPolarHBondContact CB-O 3.31Å; A254-V463 HydrophobicContact CB-CB 4.43Å; A254-V463 PolarHBondContact N-O 3.03Å; A254-V463 WeakPolarHBondContact O-CA 3.21Å; A254-V463 WeakPolarHBondContact O-CB 3.47Å; A254-V463 PolarHBondContact O-N 3.19Å
464	L	93.5	Very high	81.4	Confident	26 Å²	26	72.8 Å²	72.8	14%	0.136	43%	0.429	C	S	.	.			trans	-93.5	156	-178.3	-65.2	176.7	0	0	0	112.1	A253 W301 I302 L462 I468 Q470	A253-L464 HydrophobicContact CB-CD2 4.14Å; W301-L464 HydrophobicContact CH2-CD1 3.79Å; W301-L464 HydrophobicContact CH2-CD2 4.2Å; W301-L464 HydrophobicContact CZ3-CD1 4.3Å; W301-L464 HydrophobicContact CZ3-CD2 3.97Å; I302-L464 HydrophobicContact CD1-CD2 4.16Å; L462-L464 HydrophobicContact CD2-CD2 3.8Å; L462-L464 HydrophobicContact CG-CD2 3.96Å; L462-L464 HydrophobicContact CG-CG 4.5Å; L464-I468 HydrophobicContact CD1-CG2 4.21Å; L464-Q470 HydrophobicContact CD1-CG 3.41Å; L464-Q470 VanDerWaalsContact CD1-CG 3.41Å
465	P	85	Confident	81	Confident	3 Å²	3	65.4 Å²	65.4	2%	0.019	40%	0.404	C	S	.	.			trans	-65.8	148.4	166.8	29.5	-31.9	0	0	0	109.9	V242 V246 V252 T467 I468	V242-P465 VanDerWaalsContact CG1-CA 3.47Å; V242-P465 HydrophobicContact CG1-CB 3.95Å; V246-P465 HydrophobicContact CG2-CB 3.94Å; V252-P465 VanDerWaalsContact O-CD 3.27Å; V252-P465 WeakPolarHBondContact O-CD 3.26Å; V252-P465 WeakPolarHBondContact O-CG 3.28Å; P465-T467 PolarHBondContact O-N 2.84Å; P465-I468 HydrophobicContact CG-CB 4.17Å; P465-I468 HydrophobicContact CG-CD1 3.53Å; P465-I468 HydrophobicContact CG-CG1 3.77Å; P465-I468 PolarHBondContact O-N 3.4Å
466	P	76	Confident	80.5	Confident	116 Å²	116	65.3 Å²	65.3	75%	0.753	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-22.8	-176.5	-23.8	31.9	0	0	0	114.6
467	T	71.8	Confident	79.8	Confident	117 Å²	117	63.1 Å²	63.1	72%	0.718	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-9	-178.2	51.4	0	0	0	0	114.3	P465	P465-T467 PolarHBondContact O-N 2.84Å
468	I	62	Low	78.7	Confident	42 Å²	42	64.4 Å²	64.4	22%	0.215	39%	0.394	C	S	.	.	S	Bend	trans	-109.1	105.6	178.3	-61.5	178.5	0	0	0	107.6	W301 I302 L464 P465	W301-I468 HydrophobicContact CH2-CG2 4.37Å; W301-I468 HydrophobicContact CZ2-CG2 4.25Å; I302-I468 HydrophobicContact CG1-CD1 4.46Å; I302-I468 HydrophobicContact CG2-CD1 3.71Å; L464-I468 HydrophobicContact CD1-CG2 4.21Å; P465-I468 HydrophobicContact CG-CB 4.17Å; P465-I468 HydrophobicContact CG-CD1 3.53Å; P465-I468 HydrophobicContact CG-CG1 3.77Å; P465-I468 PolarHBondContact O-N 3.4Å
469	A	46.2	Very low	77.4	Confident	87 Å²	87	68.2 Å²	68.2	72%	0.719	42%	0.416	S	S	*	.			trans	-68.5	135.6	170.4	0	0	0	0	0	109.3
470	Q	47.9	Very low	75.7	Confident	141 Å²	141	71.4 Å²	71.4	66%	0.659	44%	0.44	S	S	*	.			trans	-62.6	137.5	165.7	-71.3	-171.8	-13.1	0	0	108.3	L464	L464-Q470 HydrophobicContact CD1-CG 3.41Å; L464-Q470 VanDerWaalsContact CD1-CG 3.41Å
471	P	39.8	Very low	73.8	Confident	168 Å²	168	72.8 Å²	72.8	100%	1.091	44%	0.438	S	S	*	.			trans	-60.5	0	176.1	25.6	-32.7	0	0	0	112.4	W301	W301-P471 HydrophobicContact CZ2-CG 4.48Å

Retrieved 471 of 471 residues in 1087.3 ms (Link to these results)

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