A0A087YBN5_POEFO Loading...

DAB adaptor protein 1a

AlphaFold DB , UniProt , Accession A0A087YBN5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 558 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	38	Very low	40.6	Very low	239 Å²	239	144.3 Å²	144.3	100%	1.177	81%	0.81	S	S	*	*				0	165	0	-74.6	175.7	166.4	0	0	108.3
2	S	38.8	Very low	40.7	Very low	105 Å²	105	151.1 Å²	151.1	73%	0.734	81%	0.813	S	S	*	*			trans	6.1	116.4	170.1	-43.5	0	0	0	0	118.2
3	T	48.8	Very low	40.8	Very low	138 Å²	138	149.2 Å²	149.2	85%	0.847	81%	0.814	S	S	*	*				69.7	108.5	60.3	70.4	0	0	0	0	115.5
4	E	41.8	Very low	40.5	Very low	180 Å²	180	146.4 Å²	146.4	84%	0.841	81%	0.81	S	S	*	*			trans	-127.1	125	151.9	-109.1	175.6	61.6	0	0	104.8
5	T	43.8	Very low	40.6	Very low	120 Å²	120	143.7 Å²	143.7	74%	0.736	81%	0.806	S	S	*	*				82.5	130.5	82.4	-61.9	0	0	0	0	111.4
6	E	38.3	Very low	40.7	Very low	159 Å²	159	143.3 Å²	143.3	74%	0.743	81%	0.807	S	S	*	*			cis	-169.2	167	-10.2	166.5	167.3	96.3	0	0	110
7	L	37.8	Very low	40.9	Very low	126 Å²	126	148.7 Å²	148.7	66%	0.66	81%	0.812	S	S	*	*			trans	60.2	106.6	162.4	-80.6	162.4	0	0	0	121.8
8	Q	38	Very low	41.1	Very low	170 Å²	170	153.5 Å²	153.5	79%	0.794	82%	0.816	S	S	*	*				29.3	153.5	113.6	-62.1	-164.9	74	0	0	121.5
9	P	43.6	Very low	41	Very low	113 Å²	113	151.9 Å²	151.9	73%	0.734	81%	0.808	S	S	*	*			cis	-144.9	164.8	27.8	41.8	-22.1	0	0	0	120
10	A	37.7	Very low	41.2	Very low	92 Å²	92	149.8 Å²	149.8	76%	0.76	81%	0.806	S	S	*	*			trans	36.4	95.7	144.8	0	0	0	0	0	121
11	V	39.6	Very low	41.5	Very low	145 Å²	145	153.1 Å²	153.1	88%	0.879	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-81	122.3	159.8	178.1	0	0	0	0	110.2
12	R	42.5	Very low	42.1	Very low	226 Å²	226	153.2 Å²	153.2	85%	0.853	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-75.1	137.4	166.3	-67	-177.7	178.9	-176.2	-0.4	109.3	S14	R12-S14 PolarHBondContact O-N 3.4Å
13	P	41.6	Very low	42.5	Very low	126 Å²	126	158.6 Å²	158.6	82%	0.818	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-59.2	136.1	178.1	24.9	-33.5	0	0	0	110.3
14	S	36.6	Very low	43.2	Very low	110 Å²	110	155.1 Å²	155.1	77%	0.769	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-60.7	144.4	-175.7	46.7	0	0	0	0	111.3	R12 V16	R12-S14 PolarHBondContact O-N 3.4Å; S14-V16 PolarHBondContact O-N 3.18Å
15	S	41.7	Very low	44.8	Very low	106 Å²	106	152.2 Å²	152.2	74%	0.741	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-55.6	124.7	175.8	46.8	0	0	0	0	109.8	R17	S15-R17 PolarHBondContact O-N 2.86Å
16	V	42.3	Very low	46.8	Very low	137 Å²	137	151.3 Å²	151.3	83%	0.83	77%	0.773	S	S	*	*			trans	-49.3	114.6	166.4	175.6	0	0	0	0	106.5	S14 R18	S14-V16 PolarHBondContact O-N 3.18Å; V16-R18 VanDerWaalsContact C-N 3.34Å; V16-R18 PolarHBondContact O-N 2.94Å
17	R	43.9	Very low	49.2	Very low	236 Å²	236	149.5 Å²	149.5	89%	0.891	76%	0.76	S	S	*	*			trans	-60	104.8	174.3	-78.3	-169.4	175.1	-160.7	-0.2	106.1	S15 D19	S15-R17 PolarHBondContact O-N 2.86Å; R17-D19 PolarHBondContact O-N 2.82Å
18	R	44.5	Very low	51.8	Low	235 Å²	235	145.9 Å²	145.9	89%	0.887	75%	0.745	S	S	*	*			trans	-67.9	85.1	176	-178.4	-177.7	-68.2	151.1	-0.9	106.6	V16 S20	V16-R18 VanDerWaalsContact C-N 3.34Å; V16-R18 PolarHBondContact O-N 2.94Å; R18-S20 PolarHBondContact O-N 2.78Å
19	D	39.3	Very low	54.4	Low	123 Å²	123	141.3 Å²	141.3	66%	0.658	72%	0.723	S	S	*	*			trans	-48.8	116.1	175.6	-166.9	-44.1	0	0	0	107.4	R17 R21	R17-D19 PolarHBondContact O-N 2.82Å; D19-R21 PolarHBondContact O-N 3.04Å; D19-R21 PolarHBondContact OD1-N 2.76Å
20	S	45	Very low	56.8	Low	110 Å²	110	138.1 Å²	138.1	77%	0.769	71%	0.707	S	S	*	*			trans	-77.8	60.6	-177.1	60	0	0	0	0	109.1	R18 R22	R18-S20 PolarHBondContact O-N 2.78Å; S20-R22 PolarHBondContact O-N 3.26Å
21	R	47.6	Very low	59.5	Low	219 Å²	219	134.7 Å²	134.7	83%	0.826	68%	0.679	S	S	*	*			trans	-43.7	117.3	167	-72	-172.6	177.4	-171.5	-1.1	106.8	D19 K23	D19-R21 PolarHBondContact O-N 3.04Å; D19-R21 PolarHBondContact OD1-N 2.76Å; R21-K23 PolarHBondContact O-N 3.02Å
22	R	50.2	Low	62.2	Low	242 Å²	242	128.5 Å²	128.5	91%	0.913	64%	0.64	S	S	*	*			trans	-46.9	133.3	170.7	-64.8	179.1	178.3	-176.4	-0.5	106.6	S20 G24	S20-R22 PolarHBondContact O-N 3.26Å; R22-G24 PolarHBondContact O-N 2.79Å
23	K	47.8	Very low	64.7	Low	217 Å²	217	120.3 Å²	120.3	94%	0.943	61%	0.613	S	S	*	*			trans	-71	67.9	-171	-167.6	177.5	179.8	179.2	0	110.8	R21	R21-K23 PolarHBondContact O-N 3.02Å
24	G	62.7	Low	67.2	Low	65 Å²	65	124 Å²	124	67%	0.67	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-58.6	136.7	174.1	0	0	0	0	0	108.8	R22	R22-G24 PolarHBondContact O-N 2.79Å
25	Q	76.1	Confident	70	Confident	119 Å²	119	120.7 Å²	120.7	56%	0.556	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-72.1	134.2	179.6	-159.5	153.2	10.8	0	0	108.5	R27 R35	Q25-R27 PolarHBondContact O-N 3.25Å; Q25-R35 VanDerWaalsContact NE2-NH2 3.14Å; Q25-R35 VanDerWaalsContact OE1-NH2 3.15Å
26	D	85.7	Confident	72.6	Confident	102 Å²	102	115.7 Å²	115.7	55%	0.545	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-63	126.8	176.2	-178.8	18.9	0	0	0	109.4	S28 A31	D26-S28 WeakPolarHBondContact OD1-CB 3.29Å; D26-S28 PolarHBondContact OD1-N 3.49Å; D26-S28 PolarHBondContact OD1-OG 3.42Å; D26-S28 PolarHBondContact OD2-OG 2.94Å; D26-A31 HydrophobicContact CB-CB 4.12Å; D26-A31 WeakPolarHBondContact OD2-CB 3.39Å
27	R	89.2	Confident	75.1	Confident	121 Å²	121	116.5 Å²	116.5	46%	0.457	54%	0.538	S	S	.	.			trans	-112.2	12.1	-178.1	-78.9	179.2	153.1	177.5	-14.7	112.5	Q25 L32 D157	Q25-R27 PolarHBondContact O-N 3.25Å; R27-L32 HydrophobicContact CG-CD2 4.43Å; R27-L32 WeakPolarHBondContact O-CD1 3.17Å; R27-D157 IonicContact CZ-OD1 2.94Å; R27-D157 IonicContact CZ-OD2 2.67Å; R27-D157 VanDerWaalsContact CZ-OD2 3.23Å; R27-D157 IonicContact NE-OD1 2.68Å; R27-D157 PolarHBondContact NE-OD1 3.35Å; R27-D157 IonicContact NE-OD2 4Å; R27-D157 PolarHBondContact NE-OD2 2.97Å; R27-D157 IonicContact NH2-OD1 2.6Å; R27-D157 PolarHBondContact NH2-OD1 3.34Å; R27-D157 IonicContact NH2-OD2 2.62Å; R27-D157 PolarHBondContact NH2-OD2 2.87Å
28	S	93.1	Very high	77.5	Confident	50 Å²	50	108.3 Å²	108.3	35%	0.35	53%	0.527	S	S	.	.			trans	-54.2	143.8	168.1	68.8	0	0	0	0	110.8	D26 A30 A31 L32	D26-S28 WeakPolarHBondContact OD1-CB 3.29Å; D26-S28 PolarHBondContact OD1-N 3.49Å; D26-S28 PolarHBondContact OD1-OG 3.42Å; D26-S28 PolarHBondContact OD2-OG 2.94Å; S28-A30 PolarHBondContact O-N 3.36Å; S28-A30 VanDerWaalsContact O-N 3.16Å; S28-A31 WeakPolarHBondContact O-CA 3.47Å; S28-A31 WeakPolarHBondContact O-CB 3.45Å; S28-A31 PolarHBondContact O-N 2.87Å; S28-A31 VanDerWaalsContact OG-CB 3.3Å; S28-A31 WeakPolarHBondContact OG-CB 3.25Å; S28-A31 PolarHBondContact OG-N 2.86Å; S28-L32 PolarHBondContact O-N 3.46Å
29	E	92.1	Very high	79.7	Confident	73 Å²	73	102.4 Å²	102.4	34%	0.341	51%	0.514	S	S	.	.	H	α-helix	trans	-49.2	-45.6	179.7	-170.8	-167.5	137.6	0	0	111.3	A31 L32 I33 L161 R168	E29-A31 VanDerWaalsContact C-N 3.33Å; E29-A31 PolarHBondContact O-N 2.76Å; E29-L32 PolarHBondContact O-N 3.29Å; E29-I33 HydrophobicContact CG-CD1 3.94Å; E29-I33 WeakPolarHBondContact O-CB 3.41Å; E29-I33 VanDerWaalsContact O-CG1 3.25Å; E29-I33 WeakPolarHBondContact O-CG1 3.27Å; E29-I33 PolarHBondContact O-N 3.45Å; E29-L161 HydrophobicContact CB-CD1 4.46Å; E29-L161 HydrophobicContact CG-CD1 3.52Å; E29-R168 VanDerWaalsContact CD-NH1 3.35Å; E29-R168 IonicContact OE1-CZ 2.83Å; E29-R168 IonicContact OE1-NH1 2.78Å; E29-R168 PolarHBondContact OE1-NH1 3.28Å; E29-R168 IonicContact OE1-NH2 3.87Å; E29-R168 IonicContact OE2-CZ 3.76Å; E29-R168 IonicContact OE2-NH1 2.68Å; E29-R168 PolarHBondContact OE2-NH1 2.98Å; E29-R168 IonicContact OE2-NH2 2.83Å; E29-R168 PolarHBondContact OE2-NH2 3.36Å
30	A	93.8	Very high	82.4	Confident	47 Å²	47	97.9 Å²	97.9	39%	0.388	50%	0.496	S	S	.	.	H	α-helix	trans	-65.1	-29.7	178.2	0	0	0	0	0	114	S28 R34	S28-A30 PolarHBondContact O-N 3.36Å; S28-A30 VanDerWaalsContact O-N 3.16Å; A30-R34 VanDerWaalsContact O-CD 3.29Å; A30-R34 WeakPolarHBondContact O-CD 3.43Å; A30-R34 WeakPolarHBondContact O-CG 3.3Å; A30-R34 PolarHBondContact O-N 3.3Å; A30-R34 PolarHBondContact O-NE 3.25Å
31	A	94.8	Very high	84.9	Confident	20 Å²	20	93.9 Å²	93.9	17%	0.165	47%	0.467	C	S	.	.	H	α-helix	trans	-75	-44.2	173.1	0	0	0	0	0	111.4	D26 S28 E29 R34 R35	D26-A31 HydrophobicContact CB-CB 4.12Å; D26-A31 WeakPolarHBondContact OD2-CB 3.39Å; S28-A31 WeakPolarHBondContact O-CA 3.47Å; S28-A31 WeakPolarHBondContact O-CB 3.45Å; S28-A31 PolarHBondContact O-N 2.87Å; S28-A31 VanDerWaalsContact OG-CB 3.3Å; S28-A31 WeakPolarHBondContact OG-CB 3.25Å; S28-A31 PolarHBondContact OG-N 2.86Å; E29-A31 VanDerWaalsContact C-N 3.33Å; E29-A31 PolarHBondContact O-N 2.76Å; A31-R34 PolarHBondContact O-N 3.31Å; A31-R35 VanDerWaalsContact O-CB 3.27Å; A31-R35 WeakPolarHBondContact O-CB 3.42Å; A31-R35 PolarHBondContact O-N 3.44Å
32	L	95.3	Very high	87.2	Confident	14 Å²	14	89.8 Å²	89.8	7%	0.073	45%	0.452	C	S	.	.	H	α-helix	trans	-64.5	-40.5	177.7	-60.8	179.1	0	0	0	111.9	R27 S28 E29 R34 R35 F36 D157 L161	R27-L32 HydrophobicContact CG-CD2 4.43Å; R27-L32 WeakPolarHBondContact O-CD1 3.17Å; S28-L32 PolarHBondContact O-N 3.46Å; E29-L32 PolarHBondContact O-N 3.29Å; L32-R34 PolarHBondContact O-N 3.28Å; L32-R35 WeakPolarHBondContact O-CB 3.35Å; L32-R35 PolarHBondContact O-N 2.91Å; L32-R35 VanDerWaalsContact O-N 3.12Å; L32-F36 HydrophobicContact CB-CD2 4.29Å; L32-F36 HydrophobicContact CB-CE2 4.14Å; L32-F36 HydrophobicContact CD2-CE2 4.06Å; L32-F36 VanDerWaalsContact O-CD2 3.26Å; L32-F36 WeakPolarHBondContact O-CD2 3.24Å; L32-F36 PolarHBondContact O-N 2.66Å; L32-D157 HydrophobicContact CD1-CB 4.08Å; L32-D157 HydrophobicContact CD2-CB 4Å; L32-L161 HydrophobicContact CB-CD2 3.77Å
33	I	94.7	Very high	89.4	Confident	55 Å²	55	80.3 Å²	80.3	28%	0.282	42%	0.416	S	S	.	.	H	α-helix	trans	-57.7	-48	172.3	-69.8	167.5	0	0	0	110.9	E29 R35 K37 F92 L161 I165	E29-I33 HydrophobicContact CG-CD1 3.94Å; E29-I33 WeakPolarHBondContact O-CB 3.41Å; E29-I33 VanDerWaalsContact O-CG1 3.25Å; E29-I33 WeakPolarHBondContact O-CG1 3.27Å; E29-I33 PolarHBondContact O-N 3.45Å; I33-R35 PolarHBondContact O-N 3.47Å; I33-K37 WeakPolarHBondContact O-CB 3.17Å; I33-K37 PolarHBondContact O-N 3.26Å; I33-K37 VanDerWaalsContact O-N 3.16Å; I33-F92 HydrophobicContact CG1-CZ 4.27Å; I33-L161 HydrophobicContact CD1-CD1 4.49Å; I33-L161 HydrophobicContact CG1-CD1 3.99Å; I33-L161 HydrophobicContact CG1-CD2 3.94Å; I33-L161 HydrophobicContact CG1-CG 4.43Å; I33-I165 HydrophobicContact CD1-CD1 4.27Å; I33-I165 HydrophobicContact CG1-CD1 4.28Å
34	R	95.3	Very high	91.8	Very high	202 Å²	202	75.5 Å²	75.5	76%	0.762	40%	0.395	S	S	*	.	H	α-helix	trans	-63.2	-32.7	177.4	-69.1	166.9	-157.4	-172.8	5.7	112.1	A30 A31 L32	A30-R34 VanDerWaalsContact O-CD 3.29Å; A30-R34 WeakPolarHBondContact O-CD 3.43Å; A30-R34 WeakPolarHBondContact O-CG 3.3Å; A30-R34 PolarHBondContact O-N 3.3Å; A30-R34 PolarHBondContact O-NE 3.25Å; A31-R34 PolarHBondContact O-N 3.31Å; L32-R34 PolarHBondContact O-N 3.28Å
35	R	95.3	Very high	93.5	Very high	42 Å²	42	72.8 Å²	72.8	16%	0.158	37%	0.366	C	S	.	.	H	α-helix	trans	-76.3	-36.5	-176.4	-175.6	177.3	-168.5	-165.7	-0.8	113.8	Q25 A31 L32 I33 G40 V41 D154	Q25-R35 VanDerWaalsContact NE2-NH2 3.14Å; Q25-R35 VanDerWaalsContact OE1-NH2 3.15Å; A31-R35 VanDerWaalsContact O-CB 3.27Å; A31-R35 WeakPolarHBondContact O-CB 3.42Å; A31-R35 PolarHBondContact O-N 3.44Å; L32-R35 WeakPolarHBondContact O-CB 3.35Å; L32-R35 PolarHBondContact O-N 2.91Å; L32-R35 VanDerWaalsContact O-N 3.12Å; I33-R35 PolarHBondContact O-N 3.47Å; R35-G40 CarbonylContact O-C 3.59Å; R35-G40 WeakPolarHBondContact O-CA 3.49Å; R35-V41 HydrophobicContact CG-CG2 3.45Å; R35-V41 VanDerWaalsContact CG-CG2 3.45Å; R35-D154 IonicContact CZ-OD1 3.67Å; R35-D154 IonicContact CZ-OD2 3.66Å; R35-D154 IonicContact NE-OD1 3.18Å; R35-D154 IonicContact NE-OD2 2.72Å; R35-D154 PolarHBondContact NE-OD2 3.16Å; R35-D154 IonicContact NH1-OD1 2.94Å; R35-D154 PolarHBondContact NH1-OD1 2.72Å; R35-D154 IonicContact NH1-OD2 3.35Å; R35-D154 IonicContact NH2-OD1 3.41Å; R35-D154 PolarHBondContact NH2-OD1 3.18Å; R35-D154 IonicContact NH2-OD2 2.76Å; R35-D154 PolarHBondContact NH2-OD2 3.27Å
36	F	96.5	Very high	94.5	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-102.1	-4	-176.7	-57.9	-51.5	0	0	0	114.5	L32 V41 V90 S91 F92 D154 D157 L158 L161	L32-F36 HydrophobicContact CB-CD2 4.29Å; L32-F36 HydrophobicContact CB-CE2 4.14Å; L32-F36 HydrophobicContact CD2-CE2 4.06Å; L32-F36 VanDerWaalsContact O-CD2 3.26Å; L32-F36 WeakPolarHBondContact O-CD2 3.24Å; L32-F36 PolarHBondContact O-N 2.66Å; F36-V41 HydrophobicContact CD1-CG2 4.04Å; F36-V41 HydrophobicContact CE1-CG2 3.95Å; F36-V90 HydrophobicContact CD1-CG1 4.34Å; F36-V90 HydrophobicContact CE1-CG1 4.17Å; F36-S91 WeakPolarHBondContact O-CA 3.5Å; F36-F92 VanDerWaalsContact C-CD2 3.47Å; F36-F92 HydrophobicContact CB-CD2 4.03Å; F36-F92 HydrophobicContact CB-CE2 3.94Å; F36-F92 HydrophobicContact CB-CZ 4.4Å; F36-F92 VanDerWaalsContact O-CD2 3.24Å; F36-F92 WeakPolarHBondContact O-CD2 3.35Å; F36-F92 PolarHBondContact O-N 2.92Å; F36-F92 VanDerWaalsContact O-N 3.08Å; F36-D154 HydrophobicContact CE1-CB 4.05Å; F36-D154 HydrophobicContact CZ-CB 4.13Å; F36-D154 WeakPolarHBondContact CZ-O 3.32Å; F36-D157 HydrophobicContact CE2-CB 4.15Å; F36-D157 HydrophobicContact CZ-CB 4.2Å; F36-L158 HydrophobicContact CB-CD1 3.88Å; F36-L158 HydrophobicContact CD1-CD1 4.47Å; F36-L158 HydrophobicContact CD2-CB 4.12Å; F36-L158 HydrophobicContact CD2-CD1 3.83Å; F36-L158 HydrophobicContact CE2-CB 3.92Å; F36-L158 HydrophobicContact CE2-CD1 4.49Å; F36-L158 HydrophobicContact CG-CD1 3.82Å; F36-L158 HydrophobicContact CZ-CB 4.14Å; F36-L161 HydrophobicContact CD2-CD2 4.17Å
37	K	94.4	Very high	95.1	Very high	154 Å²	154	67.3 Å²	67.3	67%	0.67	34%	0.337	S	S	*	.	S	Bend	trans	-70.4	143.6	174.9	-178.2	171.9	-177.9	176.3	0	112.1	I33 D39 G40 F92	I33-K37 WeakPolarHBondContact O-CB 3.17Å; I33-K37 PolarHBondContact O-N 3.26Å; I33-K37 VanDerWaalsContact O-N 3.16Å; K37-D39 PolarHBondContact O-N 3.46Å; K37-G40 PolarHBondContact O-N 3.42Å; K37-F92 HydrophobicContact CB-CE2 4.35Å
38	G	94.3	Very high	95.5	Very high	64 Å²	64	62.2 Å²	62.2	66%	0.66	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	-126.1	180	0	0	0	0	0	111.4	G40	G38-G40 PolarHBondContact O-N 3.39Å
39	D	91.8	Very high	95.7	Very high	112 Å²	112	60.6 Å²	60.6	60%	0.599	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-20	176.4	-94.7	25.8	0	0	0	113.7	K37 R42 T89	K37-D39 PolarHBondContact O-N 3.46Å; D39-R42 IonicContact OD2-NH2 3.31Å; D39-R42 PolarHBondContact OD2-NH2 2.96Å; D39-T89 WeakPolarHBondContact O-CG2 3.43Å
40	G	95.3	Very high	95.9	Very high	28 Å²	28	60 Å²	60	29%	0.289	31%	0.309	S	S	.	.			trans	63.9	-141.6	180	0	0	0	0	0	114	R35 K37 G38 V90	R35-G40 CarbonylContact O-C 3.59Å; R35-G40 WeakPolarHBondContact O-CA 3.49Å; K37-G40 PolarHBondContact O-N 3.42Å; G38-G40 PolarHBondContact O-N 3.39Å; G40-V90 WeakPolarHBondContact CA-O 3.47Å
41	V	96.4	Very high	96.1	Very high	26 Å²	26	58.8 Å²	58.8	16%	0.158	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	129.5	-174.1	-167.5	0	0	0	0	111	R35 F36 Y43 T89 V90	R35-V41 HydrophobicContact CG-CG2 3.45Å; R35-V41 VanDerWaalsContact CG-CG2 3.45Å; F36-V41 HydrophobicContact CD1-CG2 4.04Å; F36-V41 HydrophobicContact CE1-CG2 3.95Å; V41-Y43 HydrophobicContact CB-CE2 4.04Å; V41-Y43 HydrophobicContact CG1-CD2 4.23Å; V41-Y43 HydrophobicContact CG1-CE2 3.46Å; V41-Y43 VanDerWaalsContact CG1-CE2 3.46Å; V41-T89 CarbonylContact O-C 3.52Å; V41-T89 WeakPolarHBondContact O-CA 3.44Å; V41-V90 PolarHBondContact N-O 3.44Å; V41-V90 PolarHBondContact O-N 3.27Å
42	R	96.4	Very high	96.2	Very high	133 Å²	133	65.3 Å²	65.3	50%	0.502	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	129.7	-175.7	-166	-178.8	-59	-174.6	4.9	112.4	D39 F87 L88	D39-R42 IonicContact OD2-NH2 3.31Å; D39-R42 PolarHBondContact OD2-NH2 2.96Å; R42-F87 HydrophobicContact CG-CB 3.97Å; R42-F87 HydrophobicContact CG-CD1 3.82Å; R42-F87 HydrophobicContact CG-CG 4.22Å; R42-L88 CarbonylContact C-O 3.55Å; R42-L88 WeakPolarHBondContact CA-O 3.26Å
43	Y	97.6	Very high	96.2	Very high	42 Å²	42	65.5 Å²	65.5	17%	0.165	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	138	-177.1	-67.3	-85	0	0	0	112	V41 F87 L88 P150 V151 D154	V41-Y43 HydrophobicContact CB-CE2 4.04Å; V41-Y43 HydrophobicContact CG1-CD2 4.23Å; V41-Y43 HydrophobicContact CG1-CE2 3.46Å; V41-Y43 VanDerWaalsContact CG1-CE2 3.46Å; Y43-F87 WeakPolarHBondContact O-CA 2.89Å; Y43-L88 PolarHBondContact N-O 3.16Å; Y43-L88 PolarHBondContact O-N 2.96Å; Y43-P150 HydrophobicContact CE1-CB 4.29Å; Y43-P150 PolarHBondContact OH-O 3.35Å; Y43-V151 HydrophobicContact CD1-CG2 3.66Å; Y43-V151 HydrophobicContact CD2-CG1 4.36Å; Y43-V151 HydrophobicContact CD2-CG2 3.92Å; Y43-V151 HydrophobicContact CE1-CG2 3.82Å; Y43-V151 HydrophobicContact CE2-CG1 4.47Å; Y43-V151 HydrophobicContact CE2-CG2 4.08Å; Y43-V151 HydrophobicContact CG-CG2 3.7Å; Y43-D154 VanDerWaalsContact OH-CG 3.25Å; Y43-D154 PolarHBondContact OH-OD2 3.1Å
44	K	97.3	Very high	96.2	Very high	116 Å²	116	69.5 Å²	69.5	50%	0.504	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	124.1	169.8	-71.5	-160.7	176	-148.5	0	110.7	F87 E100 A145	K44-F87 HydrophobicContact CD-CE1 4.22Å; K44-F87 HydrophobicContact CG-CD1 4.05Å; K44-F87 HydrophobicContact CG-CE1 3.61Å; K44-F87 HydrophobicContact CG-CZ 4.45Å; K44-E100 WeakPolarHBondContact CE-OE1 3.49Å; K44-E100 IonicContact NZ-OE1 2.73Å; K44-E100 PolarHBondContact NZ-OE1 2.68Å; K44-A145 HydrophobicContact CB-CB 4.08Å; K44-A145 WeakPolarHBondContact O-CB 3.44Å; K44-A145 PolarHBondContact O-N 3.34Å
45	A	98	Very high	96.2	Very high	8 Å²	8	61.8 Å²	61.8	7%	0.066	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	-177	-178	0	0	0	0	0	112.1	V86 I142 K143	A45-V86 CarbonylContact C-O 3.56Å; A45-V86 HydrophobicContact CB-CG2 4.15Å; A45-V86 PolarHBondContact N-O 2.73Å; A45-V86 PolarHBondContact O-N 2.99Å; A45-V86 VanDerWaalsContact O-O 3.05Å; A45-I142 HydrophobicContact CB-CG2 3.68Å; A45-K143 CarbonylContact C-O 3.58Å; A45-K143 WeakPolarHBondContact CA-O 3.21Å
46	K	97.7	Very high	96.1	Very high	85 Å²	85	60.9 Å²	60.9	37%	0.37	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	135.5	169.2	-57	-167.7	-178.9	-168	0	109	I48 K83 Q84 K143	K46-I48 PolarHBondContact O-N 3.12Å; K46-K83 HydrophobicContact CB-CB 4.22Å; K46-K83 HydrophobicContact CD-CB 4.4Å; K46-Q84 CarbonylContact C-O 3.57Å; K46-Q84 WeakPolarHBondContact CA-O 3.41Å; K46-Q84 WeakPolarHBondContact CB-O 3.38Å; K46-K143 PolarHBondContact N-O 3.31Å; K46-K143 PolarHBondContact O-N 3.35Å
47	L	97.8	Very high	96	Very high	21 Å²	21	65.2 Å²	65.2	11%	0.11	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	130.1	171.5	-174.3	57.6	0	0	0	108.4	L50 K83 Q84 V86 V140 I142	L47-L50 HydrophobicContact CD1-CD1 4.06Å; L47-L50 HydrophobicContact CD2-CD1 3.98Å; L47-L50 HydrophobicContact CG-CD1 4.47Å; L47-K83 WeakPolarHBondContact O-CB 3.42Å; L47-Q84 PolarHBondContact N-O 3.06Å; L47-V86 HydrophobicContact CB-CG1 4.35Å; L47-V140 HydrophobicContact CD1-CG1 4.07Å; L47-I142 HydrophobicContact CD1-CD1 3.79Å
48	I	97.7	Very high	96	Very high	14 Å²	14	59 Å²	59	7%	0.072	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-42.5	170.7	-55.4	179.8	0	0	0	109	K46 M66 L69 K70 A73 K83 A126 A141 K143	K46-I48 PolarHBondContact O-N 3.12Å; I48-M66 HydrophobicContact CD1-CE 4.38Å; I48-M66 HydrophobicContact CD1-SD 3.8Å; I48-L69 HydrophobicContact CG2-CB 4Å; I48-K70 HydrophobicContact CG2-CG 4.49Å; I48-A73 HydrophobicContact CG2-CB 4.31Å; I48-K83 HydrophobicContact CG1-CD 4.37Å; I48-A126 HydrophobicContact CD1-CB 4.26Å; I48-A141 HydrophobicContact CB-CB 3.82Å; I48-A141 VanDerWaalsContact CB-O 3.28Å; I48-A141 WeakPolarHBondContact CB-O 3.25Å; I48-A141 HydrophobicContact CD1-CB 4.22Å; I48-A141 HydrophobicContact CG1-CB 4.42Å; I48-A141 HydrophobicContact CG2-CB 4.29Å; I48-A141 PolarHBondContact N-O 2.79Å; I48-K143 HydrophobicContact CD1-CB 4.06Å; I48-K143 HydrophobicContact CG1-CB 4.09Å
49	G	97.1	Very high	95.9	Very high	17 Å²	17	60 Å²	60	18%	0.175	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.7	-176.6	176.6	0	0	0	0	0	110.7	A141	G49-A141 PolarHBondContact O-N 3.06Å
50	L	96.7	Very high	96.1	Very high	61 Å²	61	61.8 Å²	61.8	32%	0.319	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	142.8	168.8	-66.8	83.8	0	0	0	107.8	L47 L69 F139 V140	L47-L50 HydrophobicContact CD1-CD1 4.06Å; L47-L50 HydrophobicContact CD2-CD1 3.98Å; L47-L50 HydrophobicContact CG-CD1 4.47Å; L50-L69 WeakPolarHBondContact O-CD2 3.38Å; L50-F139 CarbonylContact C-O 3.44Å; L50-F139 WeakPolarHBondContact CA-O 3.36Å; L50-V140 HydrophobicContact CD2-CG2 3.93Å; L50-V140 HydrophobicContact CG-CG1 4.25Å; L50-V140 HydrophobicContact CG-CG2 4.06Å
51	D	97.4	Very high	96.2	Very high	21 Å²	21	62 Å²	62	11%	0.112	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	149.4	174.9	-163.3	24.9	0	0	0	110.7	S65 K68 L69 R138 F139	D51-S65 WeakPolarHBondContact OD2-CB 3.45Å; D51-S65 PolarHBondContact OD2-OG 2.86Å; D51-K68 VanDerWaalsContact OD1-CE 3.25Å; D51-K68 WeakPolarHBondContact OD1-CE 3.22Å; D51-K68 IonicContact OD1-NZ 3.53Å; D51-K68 PolarHBondContact OD1-NZ 2.77Å; D51-K68 WeakPolarHBondContact OD2-CD 3.36Å; D51-K68 WeakPolarHBondContact OD2-CE 3.38Å; D51-K68 IonicContact OD2-NZ 2.62Å; D51-K68 PolarHBondContact OD2-NZ 3.37Å; D51-L69 HydrophobicContact CB-CD1 3.87Å; D51-L69 HydrophobicContact CB-CD2 4.06Å; D51-L69 HydrophobicContact CB-CG 3.97Å; D51-R138 CarbonylContact O-C 3.52Å; D51-R138 WeakPolarHBondContact O-CA 3.46Å; D51-F139 PolarHBondContact N-O 3.36Å; D51-F139 PolarHBondContact O-N 3.25Å
52	E	96.7	Very high	96.2	Very high	157 Å²	157	60.9 Å²	60.9	73%	0.734	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	135.1	174.1	-68.3	179.4	166.5	0	0	109.7	R138	E52-R138 HydrophobicContact CG-CG 4.21Å
53	V	96.6	Very high	96.2	Very high	17 Å²	17	58.9 Å²	58.9	10%	0.103	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	148.5	-171.2	-61.8	0	0	0	0	112.4	A55 L61 S65 V130 H137 F139	V53-A55 PolarHBondContact O-N 3.08Å; V53-L61 HydrophobicContact CB-CD1 4.18Å; V53-L61 HydrophobicContact CB-CD2 3.83Å; V53-L61 HydrophobicContact CB-CG 4.13Å; V53-L61 HydrophobicContact CG1-CD2 3.99Å; V53-L61 HydrophobicContact CG1-CG 4.36Å; V53-L61 HydrophobicContact CG2-CD2 4.06Å; V53-S65 VanDerWaalsContact CG1-OG 3.26Å; V53-S65 WeakPolarHBondContact CG1-OG 3.33Å; V53-V130 HydrophobicContact CG2-CG1 4.01Å; V53-H137 HydrophobicContact CG2-CB 3.75Å; V53-H137 PolarHBondContact N-O 2.83Å; V53-F139 HydrophobicContact CG1-CB 3.73Å; V53-F139 HydrophobicContact CG2-CB 4.46Å
54	T	94.3	Very high	96.2	Very high	140 Å²	140	61 Å²	61	86%	0.859	32%	0.32	S	S	*	.	S	Bend	trans	-81	-11.8	-168.7	50.5	0	0	0	0	115
55	A	94.3	Very high	96.3	Very high	40 Å²	40	56 Å²	56	33%	0.331	30%	0.299	S	S	.	.	S	Bend	trans	-148	158.3	-177.4	0	0	0	0	0	112	V53 R57 L61	V53-A55 PolarHBondContact O-N 3.08Å; A55-R57 VanDerWaalsContact C-N 3.34Å; A55-R57 PolarHBondContact O-N 3.1Å; A55-L61 HydrophobicContact CB-CD1 3.97Å
56	A	93.6	Very high	96.3	Very high	23 Å²	23	56 Å²	56	19%	0.19	30%	0.298	C	S	.	.	S	Bend	trans	-69.6	-23.9	-176.5	0	0	0	0	0	114.6	S115 Y116 V130	A56-S115 CarbonylContact O-C 3.59Å; A56-S115 VanDerWaalsContact O-CB 3.28Å; A56-S115 WeakPolarHBondContact O-CB 3.26Å; A56-Y116 WeakPolarHBondContact O-CB 3.22Å; A56-V130 WeakPolarHBondContact O-CB 3.49Å; A56-V130 WeakPolarHBondContact O-CG1 3.45Å
57	R	93.6	Very high	96.3	Very high	90 Å²	90	58.8 Å²	58.8	34%	0.34	31%	0.314	S	S	.	.			trans	-148.8	160.5	-173.8	59.6	174.6	173.8	165.7	-7.9	113.3	A55 Y116 E228	A55-R57 VanDerWaalsContact C-N 3.34Å; A55-R57 PolarHBondContact O-N 3.1Å; R57-Y116 HydrophobicContact CB-CD2 3.71Å; R57-Y116 HydrophobicContact CB-CE2 4.4Å; R57-Y116 HydrophobicContact CB-CG 3.99Å; R57-E228 VanDerWaalsContact CZ-CD 3.46Å; R57-E228 IonicContact CZ-OE1 3.23Å; R57-E228 IonicContact CZ-OE2 2.71Å; R57-E228 IonicContact NE-OE2 2.79Å; R57-E228 IonicContact NH1-OE1 2.68Å; R57-E228 PolarHBondContact NH1-OE1 3.24Å; R57-E228 IonicContact NH1-OE2 2.79Å; R57-E228 PolarHBondContact NH1-OE2 3.43Å; R57-E228 IonicContact NH2-OE1 2.95Å; R57-E228 PolarHBondContact NH2-OE1 3.49Å; R57-E228 IonicContact NH2-OE2 3.78Å; R57-E228 PolarHBondContact NH2-OE2 2.82Å
58	G	94.3	Very high	96.3	Very high	25 Å²	25	63.2 Å²	63.2	26%	0.258	33%	0.332	S	S	.	.			trans	132.2	127.8	167.6	0	0	0	0	0	114.1	K60 L61 C62	G58-K60 PolarHBondContact O-N 3.18Å; G58-L61 PolarHBondContact O-N 3.35Å; G58-C62 PolarHBondContact O-N 3.05Å; G58-C62 VanDerWaalsContact O-N 3.13Å; G58-C62 PolarHBondContact O-SG 2.99Å
59	D	94	Very high	96.3	Very high	84 Å²	84	63.2 Å²	63.2	45%	0.449	33%	0.332	S	S	.	.	H	α-helix	trans	-53.1	-52.1	-176.7	-68.2	-84.4	0	0	0	113.5	L61 C62 Q63 Y116	D59-L61 VanDerWaalsContact C-N 3.34Å; D59-L61 PolarHBondContact O-N 3.2Å; D59-C62 CarbonylContact O-C 3.58Å; D59-C62 WeakPolarHBondContact O-CB 3.45Å; D59-C62 PolarHBondContact O-N 2.95Å; D59-C62 VanDerWaalsContact O-N 3.12Å; D59-Q63 WeakPolarHBondContact O-CB 3.34Å; D59-Q63 PolarHBondContact O-N 3.24Å; D59-Y116 VanDerWaalsContact CG-OH 3.27Å; D59-Y116 PolarHBondContact OD1-OH 3.05Å; D59-Y116 PolarHBondContact OD2-OH 2.91Å; D59-Y116 VanDerWaalsContact OD2-OH 3.09Å
60	K	95.9	Very high	96.3	Very high	149 Å²	149	64.5 Å²	64.5	65%	0.648	33%	0.333	S	S	*	.	H	α-helix	trans	-58.7	-45.9	-176.7	-172.4	-165.7	169.9	-167.4	0	111.7	G58 C62 Q63 D64	G58-K60 PolarHBondContact O-N 3.18Å; K60-C62 VanDerWaalsContact C-N 3.31Å; K60-C62 PolarHBondContact O-N 3.12Å; K60-Q63 PolarHBondContact O-N 3.19Å; K60-D64 VanDerWaalsContact CE-OD2 3.27Å; K60-D64 WeakPolarHBondContact CE-OD2 2.91Å; K60-D64 WeakPolarHBondContact O-CB 3.33Å; K60-D64 VanDerWaalsContact O-CG 3.3Å; K60-D64 PolarHBondContact O-N 3.28Å
61	L	96.1	Very high	96.3	Very high	33 Å²	33	63.6 Å²	63.6	17%	0.173	34%	0.339	C	S	.	.	H	α-helix	trans	-60.6	-42.1	178	167.3	156.4	0	0	0	111	V53 A55 G58 D59 S65 V130	V53-L61 HydrophobicContact CB-CD1 4.18Å; V53-L61 HydrophobicContact CB-CD2 3.83Å; V53-L61 HydrophobicContact CB-CG 4.13Å; V53-L61 HydrophobicContact CG1-CD2 3.99Å; V53-L61 HydrophobicContact CG1-CG 4.36Å; V53-L61 HydrophobicContact CG2-CD2 4.06Å; A55-L61 HydrophobicContact CB-CD1 3.97Å; G58-L61 PolarHBondContact O-N 3.35Å; D59-L61 VanDerWaalsContact C-N 3.34Å; D59-L61 PolarHBondContact O-N 3.2Å; L61-S65 WeakPolarHBondContact O-CB 3.43Å; L61-S65 PolarHBondContact O-N 3.31Å; L61-S65 VanDerWaalsContact O-N 3.08Å; L61-V130 HydrophobicContact CD2-CG2 4.33Å
62	C	97.1	Very high	96.3	Very high	2 Å²	2	67.1 Å²	67.1	1%	0.014	36%	0.361	C	S	.	.	H	α-helix	trans	-68.7	-36.6	176.2	-62.9	0	0	0	0	112.5	G58 D59 K60 M66 Y116 A118 F139	G58-C62 PolarHBondContact O-N 3.05Å; G58-C62 VanDerWaalsContact O-N 3.13Å; G58-C62 PolarHBondContact O-SG 2.99Å; D59-C62 CarbonylContact O-C 3.58Å; D59-C62 WeakPolarHBondContact O-CB 3.45Å; D59-C62 PolarHBondContact O-N 2.95Å; D59-C62 VanDerWaalsContact O-N 3.12Å; K60-C62 VanDerWaalsContact C-N 3.31Å; K60-C62 PolarHBondContact O-N 3.12Å; C62-M66 WeakPolarHBondContact O-CB 3.45Å; C62-M66 PolarHBondContact O-N 3.03Å; C62-Y116 VanDerWaalsContact SG-CD1 3.59Å; C62-A118 HydrophobicContact CB-CB 3.39Å; C62-F139 HydrophobicContact CB-CD2 4.11Å; C62-F139 HydrophobicContact CB-CE2 3.55Å; C62-F139 HydrophobicContact CB-CZ 4.05Å; C62-F139 WeakPolarHBondContact O-CZ 3.38Å
63	Q	97.2	Very high	96.4	Very high	92 Å²	92	60 Å²	60	43%	0.43	33%	0.329	S	S	.	.	H	α-helix	trans	-68.2	-46.1	176.9	-175.6	179.7	2.1	0	0	111.6	D59 K60 M66 M67	D59-Q63 WeakPolarHBondContact O-CB 3.34Å; D59-Q63 PolarHBondContact O-N 3.24Å; K60-Q63 PolarHBondContact O-N 3.19Å; Q63-M66 PolarHBondContact O-N 3.13Å; Q63-M67 WeakPolarHBondContact O-CB 3.4Å; Q63-M67 PolarHBondContact O-N 3.01Å
64	D	97.3	Very high	96.4	Very high	86 Å²	86	61.8 Å²	61.8	46%	0.46	35%	0.345	S	S	.	.	H	α-helix	trans	-60.7	-48.3	177.4	-72.9	-21.7	0	0	0	110.2	K60 M67 K68	K60-D64 VanDerWaalsContact CE-OD2 3.27Å; K60-D64 WeakPolarHBondContact CE-OD2 2.91Å; K60-D64 WeakPolarHBondContact O-CB 3.33Å; K60-D64 VanDerWaalsContact O-CG 3.3Å; K60-D64 PolarHBondContact O-N 3.28Å; D64-M67 PolarHBondContact O-N 3.17Å; D64-K68 VanDerWaalsContact O-CB 3.28Å; D64-K68 WeakPolarHBondContact O-CB 3.24Å; D64-K68 PolarHBondContact O-N 3.3Å
65	S	98.1	Very high	96.5	Very high	10 Å²	10	57.6 Å²	57.6	7%	0.07	33%	0.325	C	S	.	.	H	α-helix	trans	-65.4	-40	174.8	-75.5	0	0	0	0	113.2	D51 V53 L61 M67 K68 L69	D51-S65 WeakPolarHBondContact OD2-CB 3.45Å; D51-S65 PolarHBondContact OD2-OG 2.86Å; V53-S65 VanDerWaalsContact CG1-OG 3.26Å; V53-S65 WeakPolarHBondContact CG1-OG 3.33Å; L61-S65 WeakPolarHBondContact O-CB 3.43Å; L61-S65 PolarHBondContact O-N 3.31Å; L61-S65 VanDerWaalsContact O-N 3.08Å; S65-M67 VanDerWaalsContact C-N 3.35Å; S65-M67 PolarHBondContact O-N 3.2Å; S65-K68 PolarHBondContact O-N 3.46Å; S65-L69 WeakPolarHBondContact O-CB 3.2Å; S65-L69 VanDerWaalsContact O-CG 3.27Å; S65-L69 WeakPolarHBondContact O-CG 3.35Å; S65-L69 PolarHBondContact O-N 3.11Å
66	M	97.8	Very high	96.7	Very high	9 Å²	9	56.7 Å²	56.7	4%	0.044	32%	0.317	C	S	.	.	H	α-helix	trans	-60.7	-43.8	173.7	178.2	59.4	76.4	0	0	111.5	I48 C62 Q63 K70 D120 A126 F127 F139 A141	I48-M66 HydrophobicContact CD1-CE 4.38Å; I48-M66 HydrophobicContact CD1-SD 3.8Å; C62-M66 WeakPolarHBondContact O-CB 3.45Å; C62-M66 PolarHBondContact O-N 3.03Å; Q63-M66 PolarHBondContact O-N 3.13Å; M66-K70 HydrophobicContact CG-CD 4.39Å; M66-K70 WeakPolarHBondContact O-CB 3.23Å; M66-K70 VanDerWaalsContact O-CG 3.29Å; M66-K70 WeakPolarHBondContact O-CG 3.37Å; M66-K70 PolarHBondContact O-N 2.96Å; M66-K70 HydrophobicContact SD-CD 4.44Å; M66-K70 HydrophobicContact SD-CG 4.25Å; M66-D120 VanDerWaalsContact CG-OD2 3.31Å; M66-D120 WeakPolarHBondContact CG-OD2 3.14Å; M66-A126 HydrophobicContact CE-CB 4.45Å; M66-F127 WeakPolarHBondContact CE-O 3.26Å; M66-F139 HydrophobicContact CB-CE1 3.84Å; M66-F139 HydrophobicContact CB-CZ 4.15Å; M66-F139 HydrophobicContact CE-CE1 4.06Å; M66-F139 HydrophobicContact CE-CZ 4.02Å; M66-A141 HydrophobicContact CE-CB 3.72Å; M66-A141 HydrophobicContact SD-CB 3.91Å
67	M	97.8	Very high	96.8	Very high	143 Å²	143	61.5 Å²	61.5	70%	0.704	33%	0.33	S	S	*	.	H	α-helix	trans	-67.5	-43	179.7	-170.6	166.5	179.9	0	0	111.6	Q63 D64 S65 K70 G71	Q63-M67 WeakPolarHBondContact O-CB 3.4Å; Q63-M67 PolarHBondContact O-N 3.01Å; D64-M67 PolarHBondContact O-N 3.17Å; S65-M67 VanDerWaalsContact C-N 3.35Å; S65-M67 PolarHBondContact O-N 3.2Å; M67-K70 PolarHBondContact O-N 2.98Å; M67-G71 PolarHBondContact O-N 3.34Å
68	K	97.8	Very high	96.9	Very high	114 Å²	114	62.2 Å²	62.2	50%	0.496	35%	0.35	S	S	.	.	H	α-helix	trans	-57.5	-51.8	172.5	174.4	176.7	159.9	-158.8	0	111.8	D51 D64 S65 K70 G71 V72	D51-K68 VanDerWaalsContact OD1-CE 3.25Å; D51-K68 WeakPolarHBondContact OD1-CE 3.22Å; D51-K68 IonicContact OD1-NZ 3.53Å; D51-K68 PolarHBondContact OD1-NZ 2.77Å; D51-K68 WeakPolarHBondContact OD2-CD 3.36Å; D51-K68 WeakPolarHBondContact OD2-CE 3.38Å; D51-K68 IonicContact OD2-NZ 2.62Å; D51-K68 PolarHBondContact OD2-NZ 3.37Å; D64-K68 VanDerWaalsContact O-CB 3.28Å; D64-K68 WeakPolarHBondContact O-CB 3.24Å; D64-K68 PolarHBondContact O-N 3.3Å; S65-K68 PolarHBondContact O-N 3.46Å; K68-K70 PolarHBondContact O-N 2.75Å; K68-G71 PolarHBondContact O-N 2.83Å; K68-G71 VanDerWaalsContact O-N 3.12Å; K68-V72 WeakPolarHBondContact O-CG2 3.39Å; K68-V72 PolarHBondContact O-N 2.77Å
69	L	98.3	Very high	97	Very high	14 Å²	14	69.5 Å²	69.5	7%	0.073	37%	0.374	C	S	.	.	H	α-helix	trans	-65.3	-35.2	178	-69.4	177.4	0	0	0	112.8	I48 L50 D51 S65 A73 F139 A141	I48-L69 HydrophobicContact CG2-CB 4Å; L50-L69 WeakPolarHBondContact O-CD2 3.38Å; D51-L69 HydrophobicContact CB-CD1 3.87Å; D51-L69 HydrophobicContact CB-CD2 4.06Å; D51-L69 HydrophobicContact CB-CG 3.97Å; S65-L69 WeakPolarHBondContact O-CB 3.2Å; S65-L69 VanDerWaalsContact O-CG 3.27Å; S65-L69 WeakPolarHBondContact O-CG 3.35Å; S65-L69 PolarHBondContact O-N 3.11Å; L69-A73 VanDerWaalsContact O-CB 3.25Å; L69-A73 WeakPolarHBondContact O-CB 3.43Å; L69-A73 PolarHBondContact O-N 2.86Å; L69-F139 HydrophobicContact CD1-CD1 4.2Å; L69-A141 HydrophobicContact CD1-CB 3.58Å
70	K	97.3	Very high	97.1	Very high	45 Å²	45	67.9 Å²	67.9	20%	0.196	38%	0.377	C	S	.	.	H	α-helix	trans	-62.8	-41.6	170.3	-80.3	-177.7	-177.5	-172.8	0	112.2	I48 M66 M67 K68 A73 A74 D120 T122 D123	I48-K70 HydrophobicContact CG2-CG 4.49Å; M66-K70 HydrophobicContact CG-CD 4.39Å; M66-K70 WeakPolarHBondContact O-CB 3.23Å; M66-K70 VanDerWaalsContact O-CG 3.29Å; M66-K70 WeakPolarHBondContact O-CG 3.37Å; M66-K70 PolarHBondContact O-N 2.96Å; M66-K70 HydrophobicContact SD-CD 4.44Å; M66-K70 HydrophobicContact SD-CG 4.25Å; M67-K70 PolarHBondContact O-N 2.98Å; K68-K70 PolarHBondContact O-N 2.75Å; K70-A73 CarbonylContact O-C 3.6Å; K70-A73 PolarHBondContact O-N 2.88Å; K70-A74 WeakPolarHBondContact O-CB 3.47Å; K70-A74 PolarHBondContact O-N 3.17Å; K70-D120 WeakPolarHBondContact CE-OD2 3.42Å; K70-D120 VanDerWaalsContact NZ-CG 3.34Å; K70-D120 IonicContact NZ-OD1 2.77Å; K70-D120 PolarHBondContact NZ-OD1 3.23Å; K70-D120 IonicContact NZ-OD2 3.21Å; K70-D120 PolarHBondContact NZ-OD2 2.68Å; K70-T122 PolarHBondContact NZ-OG1 2.95Å; K70-D123 VanDerWaalsContact NZ-CB 3.29Å; K70-D123 IonicContact NZ-OD2 3.16Å
71	G	97.5	Very high	97.1	Very high	42 Å²	42	66.9 Å²	66.9	43%	0.433	38%	0.375	S	S	.	.	H	α-helix	trans	-62.4	-51.6	176.2	0	0	0	0	0	112.4	M67 K68 A73 A74 A75	M67-G71 PolarHBondContact O-N 3.34Å; K68-G71 PolarHBondContact O-N 2.83Å; K68-G71 VanDerWaalsContact O-N 3.12Å; G71-A73 VanDerWaalsContact C-N 3.32Å; G71-A73 PolarHBondContact O-N 3.27Å; G71-A74 WeakPolarHBondContact O-CB 3.28Å; G71-A74 PolarHBondContact O-N 3.19Å; G71-A75 PolarHBondContact O-N 2.62Å
72	V	97.6	Very high	97	Very high	95 Å²	95	72.1 Å²	72.1	58%	0.576	40%	0.398	S	S	*	.	H	α-helix	trans	-55.5	-48.1	174.6	173.7	0	0	0	0	110.7	K68 A74 A75 A76	K68-V72 WeakPolarHBondContact O-CG2 3.39Å; K68-V72 PolarHBondContact O-N 2.77Å; V72-A74 PolarHBondContact O-N 3.08Å; V72-A75 CarbonylContact O-C 3.6Å; V72-A75 PolarHBondContact O-N 2.97Å; V72-A75 VanDerWaalsContact O-N 3.15Å; V72-A76 PolarHBondContact O-N 3.45Å
73	A	97.1	Very high	96.9	Very high	8 Å²	8	73.6 Å²	73.6	7%	0.066	40%	0.404	C	S	.	.	H	α-helix	trans	-75.5	-6	-180	0	0	0	0	0	114.6	I48 L69 K70 G71 R77 K83	I48-A73 HydrophobicContact CG2-CB 4.31Å; L69-A73 VanDerWaalsContact O-CB 3.25Å; L69-A73 WeakPolarHBondContact O-CB 3.43Å; L69-A73 PolarHBondContact O-N 2.86Å; K70-A73 CarbonylContact O-C 3.6Å; K70-A73 PolarHBondContact O-N 2.88Å; G71-A73 VanDerWaalsContact C-N 3.32Å; G71-A73 PolarHBondContact O-N 3.27Å; A73-R77 VanDerWaalsContact O-CD 3.27Å; A73-R77 WeakPolarHBondContact O-CD 3.44Å; A73-R77 VanDerWaalsContact O-CG 3.27Å; A73-R77 WeakPolarHBondContact O-CG 3.34Å; A73-K83 HydrophobicContact CB-CD 4.38Å; A73-K83 HydrophobicContact CB-CG 4.27Å
74	A	97.1	Very high	96.9	Very high	53 Å²	53	72 Å²	72	44%	0.438	40%	0.397	S	S	.	.	H	α-helix	trans	-86.4	-40	165.3	0	0	0	0	0	110.9	K70 G71 V72 A76 R77 S78	K70-A74 WeakPolarHBondContact O-CB 3.47Å; K70-A74 PolarHBondContact O-N 3.17Å; G71-A74 WeakPolarHBondContact O-CB 3.28Å; G71-A74 PolarHBondContact O-N 3.19Å; V72-A74 PolarHBondContact O-N 3.08Å; A74-A76 VanDerWaalsContact C-N 3.32Å; A74-A76 PolarHBondContact O-N 3.06Å; A74-R77 WeakPolarHBondContact O-CB 3.25Å; A74-R77 PolarHBondContact O-N 3.37Å; A74-S78 PolarHBondContact O-N 3.05Å; A74-S78 VanDerWaalsContact O-N 3.12Å
75	A	97.3	Very high	96.9	Very high	52 Å²	52	73.1 Å²	73.1	43%	0.43	40%	0.397	S	S	.	.	H	α-helix	trans	-67.8	-28	172.6	0	0	0	0	0	113.3	G71 V72 S78	G71-A75 PolarHBondContact O-N 2.62Å; V72-A75 CarbonylContact O-C 3.6Å; V72-A75 PolarHBondContact O-N 2.97Å; V72-A75 VanDerWaalsContact O-N 3.15Å; A75-S78 PolarHBondContact O-OG 3.26Å; A75-S78 VanDerWaalsContact O-OG 3.04Å
76	A	97	Very high	96.9	Very high	21 Å²	21	72.7 Å²	72.7	17%	0.174	39%	0.394	C	S	.	.	H	α-helix	trans	-67.2	-42.3	168.6	0	0	0	0	0	111.2	V72 A74 S78 K79 G80 E81	V72-A76 PolarHBondContact O-N 3.45Å; A74-A76 VanDerWaalsContact C-N 3.32Å; A74-A76 PolarHBondContact O-N 3.06Å; A76-S78 PolarHBondContact O-N 3.2Å; A76-K79 CarbonylContact O-C 3.56Å; A76-K79 WeakPolarHBondContact O-CA 3.22Å; A76-K79 WeakPolarHBondContact O-CB 3.46Å; A76-K79 PolarHBondContact O-N 3.41Å; A76-G80 PolarHBondContact O-N 2.95Å; A76-E81 HydrophobicContact CB-CB 4.12Å; A76-E81 WeakPolarHBondContact O-CB 3.39Å; A76-E81 PolarHBondContact O-N 3.34Å
77	R	96.1	Very high	96.9	Very high	124 Å²	124	74.5 Å²	74.5	47%	0.468	40%	0.402	S	S	.	.	H	α-helix	trans	-65.7	-34.5	179	-77.6	168.2	167.3	-174.7	-10.3	114.1	A73 A74 K79 G80 E81	A73-R77 VanDerWaalsContact O-CD 3.27Å; A73-R77 WeakPolarHBondContact O-CD 3.44Å; A73-R77 VanDerWaalsContact O-CG 3.27Å; A73-R77 WeakPolarHBondContact O-CG 3.34Å; A74-R77 WeakPolarHBondContact O-CB 3.25Å; A74-R77 PolarHBondContact O-N 3.37Å; R77-K79 PolarHBondContact O-N 3.28Å; R77-G80 WeakPolarHBondContact O-CA 3.38Å; R77-G80 PolarHBondContact O-N 2.94Å; R77-E81 WeakPolarHBondContact CA-O 3.43Å; R77-E81 WeakPolarHBondContact CG-O 3.39Å
78	S	96.4	Very high	96.9	Very high	106 Å²	106	67.7 Å²	67.7	74%	0.741	37%	0.368	S	S	*	.	H	α-helix	trans	-68.6	-17.5	173.4	56.3	0	0	0	0	113.1	A74 A75 A76 G80	A74-S78 PolarHBondContact O-N 3.05Å; A74-S78 VanDerWaalsContact O-N 3.12Å; A75-S78 PolarHBondContact O-OG 3.26Å; A75-S78 VanDerWaalsContact O-OG 3.04Å; A76-S78 PolarHBondContact O-N 3.2Å; S78-G80 VanDerWaalsContact C-N 3.33Å
79	K	96.4	Very high	96.9	Very high	178 Å²	178	62.4 Å²	62.4	77%	0.774	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	5.1	167.4	-57	174.7	-176.4	-179.1	0	113.4	A76 R77 E81	A76-K79 CarbonylContact O-C 3.56Å; A76-K79 WeakPolarHBondContact O-CA 3.22Å; A76-K79 WeakPolarHBondContact O-CB 3.46Å; A76-K79 PolarHBondContact O-N 3.41Å; R77-K79 PolarHBondContact O-N 3.28Å; K79-E81 VanDerWaalsContact C-N 3.33Å
80	G	95.3	Very high	96.9	Very high	49 Å²	49	61.8 Å²	61.8	51%	0.505	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	-2.1	-176	0	0	0	0	0	115.2	A76 R77 S78 H82	A76-G80 PolarHBondContact O-N 2.95Å; R77-G80 WeakPolarHBondContact O-CA 3.38Å; R77-G80 PolarHBondContact O-N 2.94Å; S78-G80 VanDerWaalsContact C-N 3.33Å; G80-H82 PolarHBondContact O-CE1 3.18Å; G80-H82 PolarHBondContact O-ND1 3.4Å
81	E	95.8	Very high	96.9	Very high	129 Å²	129	59.8 Å²	59.8	60%	0.603	33%	0.334	S	S	*	.			trans	-77.2	135.2	-178.1	-166.6	-174.8	165	0	0	111.8	A76 R77 K79	A76-E81 HydrophobicContact CB-CB 4.12Å; A76-E81 WeakPolarHBondContact O-CB 3.39Å; A76-E81 PolarHBondContact O-N 3.34Å; R77-E81 WeakPolarHBondContact CA-O 3.43Å; R77-E81 WeakPolarHBondContact CG-O 3.39Å; K79-E81 VanDerWaalsContact C-N 3.33Å
82	H	94.9	Very high	96.8	Very high	143 Å²	143	61.3 Å²	61.3	66%	0.662	33%	0.329	S	S	*	.			trans	-117	121.2	-172.1	-79.4	72.5	0	0	0	111.8	G80 Q84	G80-H82 PolarHBondContact O-CE1 3.18Å; G80-H82 PolarHBondContact O-ND1 3.4Å; H82-Q84 PolarHBondContact O-N 3.26Å; H82-Q84 VanDerWaalsContact O-N 3.17Å
83	K	95.4	Very high	96.6	Very high	32 Å²	32	58.2 Å²	58.2	14%	0.139	32%	0.317	C	S	.	.			trans	-33	117.4	170.2	-72	-174.5	178.5	-175.6	0	112.1	K46 L47 I48 A73 K85	K46-K83 HydrophobicContact CB-CB 4.22Å; K46-K83 HydrophobicContact CD-CB 4.4Å; L47-K83 WeakPolarHBondContact O-CB 3.42Å; I48-K83 HydrophobicContact CG1-CD 4.37Å; A73-K83 HydrophobicContact CB-CD 4.38Å; A73-K83 HydrophobicContact CB-CG 4.27Å; K83-K85 PolarHBondContact O-N 3.39Å
84	Q	96.8	Very high	96.6	Very high	60 Å²	60	57.9 Å²	57.9	28%	0.28	31%	0.314	S	S	.	.			trans	-51.6	134.8	-179.8	-169.3	-173.8	34.8	0	0	110.4	K46 L47 H82 V86 D99 Q106	K46-Q84 CarbonylContact C-O 3.57Å; K46-Q84 WeakPolarHBondContact CA-O 3.41Å; K46-Q84 WeakPolarHBondContact CB-O 3.38Å; L47-Q84 PolarHBondContact N-O 3.06Å; H82-Q84 PolarHBondContact O-N 3.26Å; H82-Q84 VanDerWaalsContact O-N 3.17Å; Q84-V86 HydrophobicContact CG-CG1 4.2Å; Q84-D99 PolarHBondContact NE2-OD2 3.26Å; Q84-Q106 VanDerWaalsContact CD-NE2 3.33Å; Q84-Q106 VanDerWaalsContact NE2-CD 3.3Å; Q84-Q106 VanDerWaalsContact OE1-NE2 3.1Å
85	K	97.6	Very high	96.6	Very high	109 Å²	109	55.3 Å²	55.3	47%	0.474	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	133.5	174.9	-53	-172.4	-166	172.1	0	108.7	K83 E100	K83-K85 PolarHBondContact O-N 3.39Å; K85-E100 HydrophobicContact CB-CB 3.85Å; K85-E100 WeakPolarHBondContact CB-OE2 3.41Å; K85-E100 WeakPolarHBondContact CD-OE2 3.08Å; K85-E100 IonicContact NZ-OE2 2.75Å; K85-E100 PolarHBondContact O-N 3.11Å
86	V	98.1	Very high	96.6	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.006	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	150.7	-173.9	-62.9	0	0	0	0	111.5	A45 L47 Q84 I97 F98	A45-V86 CarbonylContact C-O 3.56Å; A45-V86 HydrophobicContact CB-CG2 4.15Å; A45-V86 PolarHBondContact N-O 2.73Å; A45-V86 PolarHBondContact O-N 2.99Å; A45-V86 VanDerWaalsContact O-O 3.05Å; L47-V86 HydrophobicContact CB-CG1 4.35Å; Q84-V86 HydrophobicContact CG-CG1 4.2Å; V86-I97 HydrophobicContact CB-CG2 3.81Å; V86-I97 HydrophobicContact CG1-CG2 3.83Å; V86-I97 HydrophobicContact CG2-CG2 4.09Å; V86-F98 CarbonylContact C-O 3.45Å; V86-F98 WeakPolarHBondContact CA-O 3.41Å; V86-F98 VanDerWaalsContact CB-O 3.22Å; V86-F98 WeakPolarHBondContact CB-O 3.32Å
87	F	97.7	Very high	96.7	Very high	46 Å²	46	54.7 Å²	54.7	20%	0.202	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	119.2	160.3	-71	-75.8	0	0	0	108.9	R42 Y43 K44 F98 E100	R42-F87 HydrophobicContact CG-CB 3.97Å; R42-F87 HydrophobicContact CG-CD1 3.82Å; R42-F87 HydrophobicContact CG-CG 4.22Å; Y43-F87 WeakPolarHBondContact O-CA 2.89Å; K44-F87 HydrophobicContact CD-CE1 4.22Å; K44-F87 HydrophobicContact CG-CD1 4.05Å; K44-F87 HydrophobicContact CG-CE1 3.61Å; K44-F87 HydrophobicContact CG-CZ 4.45Å; F87-F98 HydrophobicContact CB-CB 4.38Å; F87-F98 PolarHBondContact N-O 3.43Å; F87-F98 PolarHBondContact O-N 3.17Å; F87-E100 HydrophobicContact CD2-CB 4.23Å; F87-E100 HydrophobicContact CD2-CG 4.42Å; F87-E100 HydrophobicContact CE2-CB 4.07Å; F87-E100 HydrophobicContact CE2-CG 3.77Å; F87-E100 HydrophobicContact CZ-CG 4.19Å
88	L	97.6	Very high	96.7	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	130.6	168.3	-177.7	81.7	0	0	0	108.2	R42 Y43 I95 I97 F127 V151	R42-L88 CarbonylContact C-O 3.55Å; R42-L88 WeakPolarHBondContact CA-O 3.26Å; Y43-L88 PolarHBondContact N-O 3.16Å; Y43-L88 PolarHBondContact O-N 2.96Å; L88-I95 HydrophobicContact CD1-CG2 3.52Å; L88-I97 HydrophobicContact CD1-CD1 4.44Å; L88-I97 HydrophobicContact CD1-CG1 3.87Å; L88-F127 HydrophobicContact CD2-CE1 4.22Å; L88-F127 HydrophobicContact CD2-CZ 3.72Å; L88-V151 HydrophobicContact CD2-CG1 3.45Å; L88-V151 VanDerWaalsContact CD2-CG1 3.45Å
89	T	97.7	Very high	96.8	Very high	4 Å²	4	46.9 Å²	46.9	3%	0.025	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	130	-178.8	-58.1	0	0	0	0	110.1	D39 V41 I95 K96 F98	D39-T89 WeakPolarHBondContact O-CG2 3.43Å; V41-T89 CarbonylContact O-C 3.52Å; V41-T89 WeakPolarHBondContact O-CA 3.44Å; T89-I95 WeakPolarHBondContact O-CA 3.38Å; T89-K96 PolarHBondContact N-O 3.37Å; T89-K96 PolarHBondContact O-N 2.98Å; T89-F98 WeakPolarHBondContact OG1-CE2 3.45Å
90	V	97.6	Very high	96.7	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	120.8	-177	178.8	0	0	0	0	109.1	F36 G40 V41 V151 L155 L158	F36-V90 HydrophobicContact CD1-CG1 4.34Å; F36-V90 HydrophobicContact CE1-CG1 4.17Å; G40-V90 WeakPolarHBondContact CA-O 3.47Å; V41-V90 PolarHBondContact N-O 3.44Å; V41-V90 PolarHBondContact O-N 3.27Å; V90-V151 HydrophobicContact CG2-CG1 4.46Å; V90-L155 HydrophobicContact CG1-CD2 3.73Å; V90-L155 HydrophobicContact CG1-CG 4.3Å; V90-L155 HydrophobicContact CG2-CD2 4.01Å; V90-L155 HydrophobicContact CG2-CG 4.29Å; V90-L158 HydrophobicContact CG1-CD2 3.71Å
91	S	97.3	Very high	96.7	Very high	4 Å²	4	47.6 Å²	47.6	3%	0.028	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	172.3	-171.5	65.5	0	0	0	0	111.1	F36 G93 G94 L158	F36-S91 WeakPolarHBondContact O-CA 3.5Å; S91-G93 PolarHBondContact O-N 2.93Å; S91-G93 VanDerWaalsContact O-N 3.09Å; S91-G93 PolarHBondContact OG-N 2.92Å; S91-G93 VanDerWaalsContact OG-N 3.17Å; S91-G94 PolarHBondContact N-O 3.13Å; S91-G94 WeakPolarHBondContact O-CA 3.49Å; S91-G94 PolarHBondContact O-N 3.37Å; S91-G94 PolarHBondContact OG-O 3.25Å; S91-L158 VanDerWaalsContact O-CD2 3.28Å; S91-L158 WeakPolarHBondContact O-CD2 3.45Å
92	F	95.7	Very high	96.7	Very high	73 Å²	73	45.6 Å²	45.6	32%	0.32	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-22.7	167	-72.3	-72.6	0	0	0	113.7	I33 F36 K37 G94 L158 L161 I162 I165	I33-F92 HydrophobicContact CG1-CZ 4.27Å; F36-F92 VanDerWaalsContact C-CD2 3.47Å; F36-F92 HydrophobicContact CB-CD2 4.03Å; F36-F92 HydrophobicContact CB-CE2 3.94Å; F36-F92 HydrophobicContact CB-CZ 4.4Å; F36-F92 VanDerWaalsContact O-CD2 3.24Å; F36-F92 WeakPolarHBondContact O-CD2 3.35Å; F36-F92 PolarHBondContact O-N 2.92Å; F36-F92 VanDerWaalsContact O-N 3.08Å; K37-F92 HydrophobicContact CB-CE2 4.35Å; F92-G94 PolarHBondContact O-N 3.31Å; F92-L158 HydrophobicContact CD1-CD1 4.21Å; F92-L161 HydrophobicContact CE1-CD2 3.79Å; F92-L161 HydrophobicContact CE1-CG 4.31Å; F92-L161 HydrophobicContact CZ-CD2 3.57Å; F92-L161 HydrophobicContact CZ-CG 4.44Å; F92-I162 HydrophobicContact CD1-CD1 3.88Å; F92-I162 HydrophobicContact CD1-CG1 3.76Å; F92-I162 HydrophobicContact CE1-CD1 4.49Å; F92-I162 HydrophobicContact CE1-CG1 3.95Å; F92-I165 HydrophobicContact CE1-CD1 4.46Å
93	G	94.5	Very high	96.6	Very high	31 Å²	31	41.1 Å²	41.1	32%	0.32	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	0.4	171.3	0	0	0	0	0	114.4	S91 H108	S91-G93 PolarHBondContact O-N 2.93Å; S91-G93 VanDerWaalsContact O-N 3.09Å; S91-G93 PolarHBondContact OG-N 2.92Å; S91-G93 VanDerWaalsContact OG-N 3.17Å; G93-H108 PolarHBondContact O-NE2 2.79Å
94	G	95.9	Very high	96.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	88.3	-150.6	-173.5	0	0	0	0	0	113.1	S91 F92 H109	S91-G94 PolarHBondContact N-O 3.13Å; S91-G94 WeakPolarHBondContact O-CA 3.49Å; S91-G94 PolarHBondContact O-N 3.37Å; S91-G94 PolarHBondContact OG-O 3.25Å; F92-G94 PolarHBondContact O-N 3.31Å; G94-H109 CarbonylContact C-O 3.47Å; G94-H109 WeakPolarHBondContact CA-O 3.46Å
95	I	97.8	Very high	96.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	129.7	-178.7	-66.1	175.9	0	0	0	109.9	L88 T89 I97 H108 H109 I114 Y129 L155	L88-I95 HydrophobicContact CD1-CG2 3.52Å; T89-I95 WeakPolarHBondContact O-CA 3.38Å; I95-I97 HydrophobicContact CG2-CG1 4.38Å; I95-H108 WeakPolarHBondContact O-CA 3.43Å; I95-H109 PolarHBondContact N-O 3.42Å; I95-H109 PolarHBondContact O-N 3.2Å; I95-I114 HydrophobicContact CB-CD1 4.13Å; I95-I114 HydrophobicContact CD1-CD1 3.64Å; I95-I114 HydrophobicContact CG1-CD1 3.67Å; I95-Y129 HydrophobicContact CD1-CD1 3.7Å; I95-Y129 HydrophobicContact CD1-CD2 4.16Å; I95-Y129 HydrophobicContact CD1-CE1 3.71Å; I95-Y129 HydrophobicContact CD1-CE2 4.18Å; I95-Y129 HydrophobicContact CD1-CG 3.94Å; I95-Y129 HydrophobicContact CG2-CE1 4.07Å; I95-L155 HydrophobicContact CD1-CD1 4.07Å; I95-L155 HydrophobicContact CD1-CD2 3.79Å; I95-L155 HydrophobicContact CG1-CD2 3.77Å
96	K	97.4	Very high	96.5	Very high	60 Å²	60	43.7 Å²	43.7	26%	0.261	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	134.4	172.3	-69.5	177.5	-178.1	175.7	0	110.6	T89 F98 L105 H107 H108	T89-K96 PolarHBondContact N-O 3.37Å; T89-K96 PolarHBondContact O-N 2.98Å; K96-F98 HydrophobicContact CB-CD2 4.32Å; K96-F98 HydrophobicContact CB-CE2 3.56Å; K96-F98 HydrophobicContact CB-CZ 4.07Å; K96-F98 HydrophobicContact CD-CE2 4.42Å; K96-F98 HydrophobicContact CD-CZ 4.18Å; K96-L105 HydrophobicContact CB-CD1 3.72Å; K96-L105 HydrophobicContact CD-CD1 4.4Å; K96-L105 HydrophobicContact CG-CD1 4.03Å; K96-H107 CarbonylContact C-O 3.52Å; K96-H107 WeakPolarHBondContact CA-O 3.28Å; K96-H108 HydrophobicContact CG-CB 4.21Å; K96-H108 VanDerWaalsContact CG-CD2 3.5Å; K96-H108 WeakPolarHBondContact CG-CD2 3.34Å
97	I	97.8	Very high	96.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	116.1	178.4	-60.8	175.6	0	0	0	108.5	V86 L88 I95 Q106 H107 Y129 V140 I142	V86-I97 HydrophobicContact CB-CG2 3.81Å; V86-I97 HydrophobicContact CG1-CG2 3.83Å; V86-I97 HydrophobicContact CG2-CG2 4.09Å; L88-I97 HydrophobicContact CD1-CD1 4.44Å; L88-I97 HydrophobicContact CD1-CG1 3.87Å; I95-I97 HydrophobicContact CG2-CG1 4.38Å; I97-Q106 PolarHBondContact O-N 3.08Å; I97-H107 HydrophobicContact CB-CB 4.18Å; I97-H107 HydrophobicContact CD1-CB 4.3Å; I97-H107 PolarHBondContact N-O 3.41Å; I97-H107 PolarHBondContact O-N 3.11Å; I97-Y129 WeakPolarHBondContact CD1-OH 3.34Å; I97-V140 HydrophobicContact CD1-CG1 4.01Å; I97-I142 HydrophobicContact CD1-CD1 3.93Å
98	F	97.6	Very high	96.3	Very high	47 Å²	47	48.2 Å²	48.2	21%	0.206	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	145.4	176.1	-54.4	-100.6	0	0	0	110.1	V86 F87 T89 K96 G103 I104 L105	V86-F98 CarbonylContact C-O 3.45Å; V86-F98 WeakPolarHBondContact CA-O 3.41Å; V86-F98 VanDerWaalsContact CB-O 3.22Å; V86-F98 WeakPolarHBondContact CB-O 3.32Å; F87-F98 HydrophobicContact CB-CB 4.38Å; F87-F98 PolarHBondContact N-O 3.43Å; F87-F98 PolarHBondContact O-N 3.17Å; T89-F98 WeakPolarHBondContact OG1-CE2 3.45Å; K96-F98 HydrophobicContact CB-CD2 4.32Å; K96-F98 HydrophobicContact CB-CE2 3.56Å; K96-F98 HydrophobicContact CB-CZ 4.07Å; K96-F98 HydrophobicContact CD-CE2 4.42Å; K96-F98 HydrophobicContact CD-CZ 4.18Å; F98-G103 WeakPolarHBondContact CD1-O 3.06Å; F98-I104 VanDerWaalsContact CA-O 3.26Å; F98-I104 WeakPolarHBondContact CA-O 3.39Å; F98-L105 HydrophobicContact CD1-CB 3.87Å; F98-L105 HydrophobicContact CD1-CD1 4.16Å; F98-L105 HydrophobicContact CD2-CD1 4.47Å; F98-L105 HydrophobicContact CE1-CB 3.81Å; F98-L105 HydrophobicContact CE1-CD1 3.92Å; F98-L105 HydrophobicContact CE1-CG 4.36Å; F98-L105 HydrophobicContact CE2-CD1 4.22Å; F98-L105 HydrophobicContact CG-CD1 4.44Å; F98-L105 HydrophobicContact CZ-CD1 3.95Å
99	D	97.6	Very high	96.3	Very high	19 Å²	19	48.8 Å²	48.8	10%	0.102	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	137	170.1	-164.9	-41.5	0	0	0	110.4	Q84 K101 T102 G103 I104	Q84-D99 PolarHBondContact NE2-OD2 3.26Å; D99-K101 PolarHBondContact O-N 2.99Å; D99-K101 WeakPolarHBondContact OD1-CB 3.17Å; D99-K101 PolarHBondContact OD1-N 3.04Å; D99-T102 WeakPolarHBondContact CB-OG1 3.25Å; D99-G103 WeakPolarHBondContact O-CA 3.45Å; D99-G103 PolarHBondContact O-N 2.89Å; D99-I104 PolarHBondContact N-O 3.13Å; D99-I104 VanDerWaalsContact N-O 3.1Å
100	E	95.7	Very high	96.2	Very high	55 Å²	55	49.5 Å²	49.5	26%	0.257	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-24.4	174.3	-178.5	173.3	-132.2	0	0	112.5	K44 K85 F87	K44-E100 WeakPolarHBondContact CE-OE1 3.49Å; K44-E100 IonicContact NZ-OE1 2.73Å; K44-E100 PolarHBondContact NZ-OE1 2.68Å; K85-E100 HydrophobicContact CB-CB 3.85Å; K85-E100 WeakPolarHBondContact CB-OE2 3.41Å; K85-E100 WeakPolarHBondContact CD-OE2 3.08Å; K85-E100 IonicContact NZ-OE2 2.75Å; K85-E100 PolarHBondContact O-N 3.11Å; F87-E100 HydrophobicContact CD2-CB 4.23Å; F87-E100 HydrophobicContact CD2-CG 4.42Å; F87-E100 HydrophobicContact CE2-CB 4.07Å; F87-E100 HydrophobicContact CE2-CG 3.77Å; F87-E100 HydrophobicContact CZ-CG 4.19Å
101	K	94.5	Very high	96.1	Very high	187 Å²	187	50.5 Å²	50.5	81%	0.813	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-48.1	179.9	-67.3	-177	175.3	-177.3	0	113.8	D99	D99-K101 PolarHBondContact O-N 2.99Å; D99-K101 WeakPolarHBondContact OD1-CB 3.17Å; D99-K101 PolarHBondContact OD1-N 3.04Å
102	T	95.1	Very high	95.8	Very high	86 Å²	86	55.5 Å²	55.5	53%	0.528	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-17.2	-171.4	65.6	0	0	0	0	113.1	D99 I104	D99-T102 WeakPolarHBondContact CB-OG1 3.25Å; T102-I104 PolarHBondContact O-N 2.86Å; T102-I104 PolarHBondContact OG1-N 3.36Å
103	G	93.8	Very high	95.7	Very high	49 Å²	49	54.5 Å²	54.5	51%	0.505	29%	0.287	S	S	.	.			trans	68.9	1.5	-172.5	0	0	0	0	0	114.5	F98 D99	F98-G103 WeakPolarHBondContact CD1-O 3.06Å; D99-G103 WeakPolarHBondContact O-CA 3.45Å; D99-G103 PolarHBondContact O-N 2.89Å
104	I	95.8	Very high	95.8	Very high	110 Å²	110	53.6 Å²	53.6	56%	0.564	27%	0.274	S	S	*	.			trans	-74.7	136.3	-177.9	-61.2	172.1	0	0	0	109.8	F98 D99 T102 Q106	F98-I104 VanDerWaalsContact CA-O 3.26Å; F98-I104 WeakPolarHBondContact CA-O 3.39Å; D99-I104 PolarHBondContact N-O 3.13Å; D99-I104 VanDerWaalsContact N-O 3.1Å; T102-I104 PolarHBondContact O-N 2.86Å; T102-I104 PolarHBondContact OG1-N 3.36Å; I104-Q106 PolarHBondContact O-N 2.83Å
105	L	96.4	Very high	95.7	Very high	74 Å²	74	53.9 Å²	53.9	39%	0.387	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	115	171.6	180	61.5	0	0	0	109.7	K96 F98 H107 H108	K96-L105 HydrophobicContact CB-CD1 3.72Å; K96-L105 HydrophobicContact CD-CD1 4.4Å; K96-L105 HydrophobicContact CG-CD1 4.03Å; F98-L105 HydrophobicContact CD1-CB 3.87Å; F98-L105 HydrophobicContact CD1-CD1 4.16Å; F98-L105 HydrophobicContact CD2-CD1 4.47Å; F98-L105 HydrophobicContact CE1-CB 3.81Å; F98-L105 HydrophobicContact CE1-CD1 3.92Å; F98-L105 HydrophobicContact CE1-CG 4.36Å; F98-L105 HydrophobicContact CE2-CD1 4.22Å; F98-L105 HydrophobicContact CG-CD1 4.44Å; F98-L105 HydrophobicContact CZ-CD1 3.95Å; L105-H107 VanDerWaalsContact CD1-O 3.32Å; L105-H107 WeakPolarHBondContact CD1-O 3.18Å; L105-H108 HydrophobicContact CD1-CB 4.36Å; L105-H108 HydrophobicContact CD2-CB 4.24Å
106	Q	95.5	Very high	95.7	Very high	72 Å²	72	54.1 Å²	54.1	34%	0.336	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	-40.7	-179.1	-63.1	-174.9	95.3	0	0	112.3	Q84 I97 I104	Q84-Q106 VanDerWaalsContact CD-NE2 3.33Å; Q84-Q106 VanDerWaalsContact NE2-CD 3.3Å; Q84-Q106 VanDerWaalsContact OE1-NE2 3.1Å; I97-Q106 PolarHBondContact O-N 3.08Å; I104-Q106 PolarHBondContact O-N 2.83Å
107	H	95.5	Very high	95.6	Very high	52 Å²	52	51.7 Å²	51.7	24%	0.241	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	137.9	178.8	-50.3	-47.7	0	0	0	110	K96 I97 L105	K96-H107 CarbonylContact C-O 3.52Å; K96-H107 WeakPolarHBondContact CA-O 3.28Å; I97-H107 HydrophobicContact CB-CB 4.18Å; I97-H107 HydrophobicContact CD1-CB 4.3Å; I97-H107 PolarHBondContact N-O 3.41Å; I97-H107 PolarHBondContact O-N 3.11Å; L105-H107 VanDerWaalsContact CD1-O 3.32Å; L105-H107 WeakPolarHBondContact CD1-O 3.18Å
108	H	96.3	Very high	95.6	Very high	89 Å²	89	52.1 Å²	52.1	41%	0.412	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	129.1	171.4	178.6	-160.6	0	0	0	107	G93 I95 K96 L105	G93-H108 PolarHBondContact O-NE2 2.79Å; I95-H108 WeakPolarHBondContact O-CA 3.43Å; K96-H108 HydrophobicContact CG-CB 4.21Å; K96-H108 VanDerWaalsContact CG-CD2 3.5Å; K96-H108 WeakPolarHBondContact CG-CD2 3.34Å; L105-H108 HydrophobicContact CD1-CB 4.36Å; L105-H108 HydrophobicContact CD2-CB 4.24Å
109	H	96.3	Very high	95.5	Very high	12 Å²	12	55.1 Å²	55.1	6%	0.056	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	122.9	173.2	-47.8	-71.4	0	0	0	107.5	G94 I95 I114 Y129 C131	G94-H109 CarbonylContact C-O 3.47Å; G94-H109 WeakPolarHBondContact CA-O 3.46Å; I95-H109 PolarHBondContact N-O 3.42Å; I95-H109 PolarHBondContact O-N 3.2Å; H109-I114 HydrophobicContact CB-CD1 4.43Å; H109-I114 HydrophobicContact CB-CG1 4.12Å; H109-Y129 AromaticContact CD2-CE2 3.63Å; H109-Y129 AromaticContact CD2-CZ 3.79Å; H109-Y129 PolarHBondContact CD2-OH 3.21Å; H109-Y129 PolarHBondContact NE2-OH 3.43Å; H109-C131 HydrophobicContact CB-CB 4.35Å; H109-C131 VanDerWaalsContact CE1-SG 3.58Å
110	A	95.9	Very high	95.5	Very high	20 Å²	20	55 Å²	55	17%	0.165	28%	0.283	C	S	.	.			trans	-69.6	160.3	175.4	0	0	0	0	0	110.7	H112 E113	A110-H112 VanDerWaalsContact C-N 3.26Å; A110-H112 VanDerWaalsContact CB-CE1 3.48Å; A110-H112 WeakPolarHBondContact CB-CE1 3.37Å; A110-H112 PolarHBondContact O-N 2.78Å; A110-E113 HydrophobicContact CB-CG 4.17Å; A110-E113 PolarHBondContact N-OE2 3.41Å; A110-E113 WeakPolarHBondContact O-CB 3.47Å; A110-E113 PolarHBondContact O-N 3.17Å
111	V	95	Very high	95.4	Very high	20 Å²	20	59 Å²	59	12%	0.121	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-56.2	-41.4	-178.9	174.9	0	0	0	0	112	E113 I114 L158 F159 I162	V111-E113 PolarHBondContact O-N 2.76Å; V111-I114 PolarHBondContact O-N 3.39Å; V111-L158 HydrophobicContact CG2-CD2 4.3Å; V111-F159 HydrophobicContact CG1-CD1 3.76Å; V111-F159 HydrophobicContact CG1-CE1 3.83Å; V111-F159 HydrophobicContact CG2-CE1 4.39Å; V111-I162 HydrophobicContact CB-CD1 4.21Å; V111-I162 HydrophobicContact CG1-CD1 3.93Å; V111-I162 HydrophobicContact CG2-CD1 3.69Å
112	H	92.4	Very high	95.4	Very high	110 Å²	110	54.9 Å²	54.9	51%	0.509	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-72.4	-4.8	177.6	69.5	-98.3	0	0	0	114.4	A110	A110-H112 VanDerWaalsContact C-N 3.26Å; A110-H112 VanDerWaalsContact CB-CE1 3.48Å; A110-H112 WeakPolarHBondContact CB-CE1 3.37Å; A110-H112 PolarHBondContact O-N 2.78Å
113	E	93.9	Very high	95.5	Very high	52 Å²	52	52.4 Å²	52.4	24%	0.243	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-101.1	-4.2	175	-59.3	-177.1	120	0	0	112.3	A110 V111 C131 G132	A110-E113 HydrophobicContact CB-CG 4.17Å; A110-E113 PolarHBondContact N-OE2 3.41Å; A110-E113 WeakPolarHBondContact O-CB 3.47Å; A110-E113 PolarHBondContact O-N 3.17Å; V111-E113 PolarHBondContact O-N 2.76Å; E113-C131 CarbonylContact O-C 3.6Å; E113-C131 WeakPolarHBondContact O-CA 3.44Å; E113-C131 VanDerWaalsContact O-CB 3.3Å; E113-C131 WeakPolarHBondContact O-CB 3.47Å; E113-G132 PolarHBondContact O-N 3Å
114	I	95.6	Very high	95.6	Very high	11 Å²	11	56.1 Å²	56.1	6%	0.056	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	119.7	179.6	-60.3	159.6	0	0	0	107.9	I95 H109 V111 Y129 C131 F159	I95-I114 HydrophobicContact CB-CD1 4.13Å; I95-I114 HydrophobicContact CD1-CD1 3.64Å; I95-I114 HydrophobicContact CG1-CD1 3.67Å; H109-I114 HydrophobicContact CB-CD1 4.43Å; H109-I114 HydrophobicContact CB-CG1 4.12Å; V111-I114 PolarHBondContact O-N 3.39Å; I114-Y129 HydrophobicContact CG1-CD2 4.4Å; I114-Y129 HydrophobicContact CG2-CD2 4.3Å; I114-C131 HydrophobicContact CG1-CB 4.39Å; I114-F159 HydrophobicContact CB-CZ 4.03Å; I114-F159 HydrophobicContact CD1-CE1 4.47Å; I114-F159 HydrophobicContact CD1-CZ 4.08Å; I114-F159 HydrophobicContact CG2-CE2 4.11Å; I114-F159 HydrophobicContact CG2-CZ 3.8Å
115	S	94.8	Very high	95.7	Very high	6 Å²	6	54.8 Å²	54.8	4%	0.042	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	-12.2	-167.4	-48.3	0	0	0	0	114.4	A56 V130 N229	A56-S115 CarbonylContact O-C 3.59Å; A56-S115 VanDerWaalsContact O-CB 3.28Å; A56-S115 WeakPolarHBondContact O-CB 3.26Å; S115-V130 PolarHBondContact N-O 3.18Å; S115-N229 PolarHBondContact O-ND2 3.37Å; S115-N229 PolarHBondContact O-OD1 3.4Å
116	Y	96.3	Very high	95.8	Very high	5 Å²	5	51.3 Å²	51.3	2%	0.02	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	153	175.5	-164.2	-110.9	0	0	0	111.9	A56 R57 D59 C62 A118 Y129 V130 N229	A56-Y116 WeakPolarHBondContact O-CB 3.22Å; R57-Y116 HydrophobicContact CB-CD2 3.71Å; R57-Y116 HydrophobicContact CB-CE2 4.4Å; R57-Y116 HydrophobicContact CB-CG 3.99Å; D59-Y116 VanDerWaalsContact CG-OH 3.27Å; D59-Y116 PolarHBondContact OD1-OH 3.05Å; D59-Y116 PolarHBondContact OD2-OH 2.91Å; D59-Y116 VanDerWaalsContact OD2-OH 3.09Å; C62-Y116 VanDerWaalsContact SG-CD1 3.59Å; Y116-A118 HydrophobicContact CD1-CB 4.25Å; Y116-A118 HydrophobicContact CE1-CB 4.01Å; Y116-Y129 CarbonylContact O-C 3.54Å; Y116-Y129 WeakPolarHBondContact O-CA 3.33Å; Y116-Y129 WeakPolarHBondContact O-CB 3.42Å; Y116-V130 PolarHBondContact O-N 2.76Å; Y116-N229 WeakPolarHBondContact CA-OD1 3.39Å
117	I	96.8	Very high	95.9	Very high	10 Å²	10	47.9 Å²	47.9	5%	0.051	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	124.1	171.7	-60.9	170.6	0	0	0	108.9	F127 I152 L155 F159	I117-F127 HydrophobicContact CG2-CD2 4.42Å; I117-I152 HydrophobicContact CG2-CG2 4.29Å; I117-L155 HydrophobicContact CD1-CB 3.51Å; I117-L155 HydrophobicContact CD1-CD1 3.92Å; I117-L155 HydrophobicContact CD1-CG 4.25Å; I117-F159 HydrophobicContact CD1-CD2 4.26Å; I117-F159 HydrophobicContact CD1-CE2 3.56Å; I117-F159 HydrophobicContact CD1-CZ 4.12Å; I117-F159 HydrophobicContact CG1-CE2 4.28Å
118	A	96.6	Very high	96	Very high	9 Å²	9	45.4 Å²	45.4	7%	0.074	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	125.1	-179.2	0	0	0	0	0	111.5	C62 Y116 F127 G128 F139	C62-A118 HydrophobicContact CB-CB 3.39Å; Y116-A118 HydrophobicContact CD1-CB 4.25Å; Y116-A118 HydrophobicContact CE1-CB 4.01Å; A118-F127 WeakPolarHBondContact O-CA 3.48Å; A118-F127 WeakPolarHBondContact O-CB 3.35Å; A118-G128 PolarHBondContact N-O 3.07Å; A118-G128 PolarHBondContact O-N 2.82Å; A118-F139 HydrophobicContact CB-CE2 4.19Å
119	K	96.5	Very high	96.1	Very high	110 Å²	110	41.1 Å²	41.1	48%	0.478	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	137.6	171.2	-177.9	171.7	170.8	177.2	0	110	I121 E149 I152	K119-I121 PolarHBondContact O-N 2.81Å; K119-E149 WeakPolarHBondContact CE-OE2 3.38Å; K119-E149 IonicContact NZ-OE1 3.95Å; K119-E149 PolarHBondContact NZ-OE1 3.26Å; K119-E149 IonicContact NZ-OE2 2.79Å; K119-E149 PolarHBondContact NZ-OE2 2.92Å; K119-I152 HydrophobicContact CB-CD1 3.99Å; K119-I152 HydrophobicContact CD-CD1 4.18Å; K119-I152 HydrophobicContact CG-CD1 3.9Å
120	D	96.7	Very high	96.1	Very high	15 Å²	15	40.6 Å²	40.6	8%	0.08	20%	0.203	C	C	.	.			trans	-87.3	107.3	-178.4	-171.7	-21.6	0	0	0	111.9	M66 K70 T122 D123 A126	M66-D120 VanDerWaalsContact CG-OD2 3.31Å; M66-D120 WeakPolarHBondContact CG-OD2 3.14Å; K70-D120 WeakPolarHBondContact CE-OD2 3.42Å; K70-D120 VanDerWaalsContact NZ-CG 3.34Å; K70-D120 IonicContact NZ-OD1 2.77Å; K70-D120 PolarHBondContact NZ-OD1 3.23Å; K70-D120 IonicContact NZ-OD2 3.21Å; K70-D120 PolarHBondContact NZ-OD2 2.68Å; D120-T122 PolarHBondContact O-N 2.89Å; D120-T122 WeakPolarHBondContact OD1-CA 3.32Å; D120-T122 WeakPolarHBondContact OD1-CB 3.44Å; D120-T122 PolarHBondContact OD1-N 2.94Å; D120-T122 PolarHBondContact OD1-OG1 2.94Å; D120-D123 CarbonylContact O-C 3.41Å; D120-D123 PolarHBondContact O-N 2.94Å; D120-D123 PolarHBondContact OD1-N 3.29Å; D120-A126 HydrophobicContact CB-CB 3.83Å; D120-A126 VanDerWaalsContact CB-O 3.25Å; D120-A126 WeakPolarHBondContact CB-O 3.44Å; D120-A126 PolarHBondContact N-O 3.02Å; D120-A126 VanDerWaalsContact OD2-CB 3.3Å; D120-A126 WeakPolarHBondContact OD2-CB 3.45Å
121	I	93.6	Very high	96.1	Very high	141 Å²	141	39.6 Å²	39.6	72%	0.723	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-20.1	178.6	67.4	174.4	0	0	0	113.7	K119	K119-I121 PolarHBondContact O-N 2.81Å
122	T	95.1	Very high	95.9	Very high	99 Å²	99	39.1 Å²	39.1	61%	0.607	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-10.4	-176.7	68.2	0	0	0	0	113.3	K70 D120	K70-T122 PolarHBondContact NZ-OG1 2.95Å; D120-T122 PolarHBondContact O-N 2.89Å; D120-T122 WeakPolarHBondContact OD1-CA 3.32Å; D120-T122 WeakPolarHBondContact OD1-CB 3.44Å; D120-T122 PolarHBondContact OD1-N 2.94Å; D120-T122 PolarHBondContact OD1-OG1 2.94Å
123	D	95.9	Very high	95.7	Very high	34 Å²	34	40.8 Å²	40.8	18%	0.182	20%	0.199	C	C	.	.			trans	-158.1	96.9	-175	-175.6	-9.8	0	0	0	109.5	K70 D120 R125 A126 K143	K70-D123 VanDerWaalsContact NZ-CB 3.29Å; K70-D123 IonicContact NZ-OD2 3.16Å; D120-D123 CarbonylContact O-C 3.41Å; D120-D123 PolarHBondContact O-N 2.94Å; D120-D123 PolarHBondContact OD1-N 3.29Å; D123-R125 PolarHBondContact O-N 2.83Å; D123-R125 WeakPolarHBondContact OD1-CB 3.36Å; D123-R125 PolarHBondContact OD1-N 3.09Å; D123-A126 HydrophobicContact CB-CB 4.02Å; D123-A126 PolarHBondContact O-N 2.91Å; D123-K143 IonicContact OD1-NZ 3.23Å; D123-K143 PolarHBondContact OD1-NZ 3.37Å; D123-K143 IonicContact OD2-NZ 2.83Å; D123-K143 PolarHBondContact OD2-NZ 2.84Å
124	H	97.2	Very high	95.2	Very high	128 Å²	128	46.3 Å²	46.3	59%	0.593	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-4.2	-178.8	71.8	-93.9	0	0	0	115.5	A148	H124-A148 PolarHBondContact O-N 3.03Å
125	R	97.3	Very high	94.7	Very high	82 Å²	82	49.2 Å²	49.2	31%	0.309	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-1.5	178.3	-48.4	-172.9	34.7	-157.2	-17	112.8	D123 K143 T144 A145 Q146	D123-R125 PolarHBondContact O-N 2.83Å; D123-R125 WeakPolarHBondContact OD1-CB 3.36Å; D123-R125 PolarHBondContact OD1-N 3.09Å; R125-K143 HydrophobicContact CB-CG 4.29Å; R125-K143 CarbonylContact O-C 3.49Å; R125-K143 WeakPolarHBondContact O-CA 3.39Å; R125-T144 PolarHBondContact NH2-O 2.84Å; R125-T144 PolarHBondContact O-N 3.1Å; R125-T144 PolarHBondContact O-OG1 2.98Å; R125-A145 PolarHBondContact NH2-O 2.82Å; R125-Q146 WeakPolarHBondContact CB-O 3.5Å; R125-Q146 WeakPolarHBondContact CD-O 3.14Å; R125-Q146 WeakPolarHBondContact CG-O 3.42Å; R125-Q146 PolarHBondContact NE-O 2.9Å
126	A	97.8	Very high	94.5	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	151.1	177.3	0	0	0	0	0	110.5	I48 M66 D120 D123 I142	I48-A126 HydrophobicContact CD1-CB 4.26Å; M66-A126 HydrophobicContact CE-CB 4.45Å; D120-A126 HydrophobicContact CB-CB 3.83Å; D120-A126 VanDerWaalsContact CB-O 3.25Å; D120-A126 WeakPolarHBondContact CB-O 3.44Å; D120-A126 PolarHBondContact N-O 3.02Å; D120-A126 VanDerWaalsContact OD2-CB 3.3Å; D120-A126 WeakPolarHBondContact OD2-CB 3.45Å; D123-A126 HydrophobicContact CB-CB 4.02Å; D123-A126 PolarHBondContact O-N 2.91Å; A126-I142 VanDerWaalsContact CA-O 3.26Å; A126-I142 WeakPolarHBondContact CA-O 3.47Å
127	F	98.3	Very high	94.5	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	168.3	169.4	77.1	-77.1	0	0	0	107.5	M66 L88 I117 A118 Y129 I142 T144 A148 V151 I152 L155	M66-F127 WeakPolarHBondContact CE-O 3.26Å; L88-F127 HydrophobicContact CD2-CE1 4.22Å; L88-F127 HydrophobicContact CD2-CZ 3.72Å; I117-F127 HydrophobicContact CG2-CD2 4.42Å; A118-F127 WeakPolarHBondContact O-CA 3.48Å; A118-F127 WeakPolarHBondContact O-CB 3.35Å; F127-Y129 HydrophobicContact CE2-CD1 4.22Å; F127-I142 HydrophobicContact CD1-CB 4.24Å; F127-I142 HydrophobicContact CD1-CG2 4.46Å; F127-I142 HydrophobicContact CE1-CB 3.79Å; F127-I142 HydrophobicContact CE1-CG2 3.74Å; F127-I142 HydrophobicContact CZ-CB 4.12Å; F127-I142 HydrophobicContact CZ-CG1 4.39Å; F127-I142 HydrophobicContact CZ-CG2 4.27Å; F127-I142 PolarHBondContact N-O 3.3Å; F127-I142 PolarHBondContact O-N 2.75Å; F127-I142 VanDerWaalsContact O-O 3.04Å; F127-T144 HydrophobicContact CD1-CG2 4.3Å; F127-T144 HydrophobicContact CE1-CG2 3.99Å; F127-A148 HydrophobicContact CB-CB 4.17Å; F127-A148 HydrophobicContact CD1-CB 3.95Å; F127-A148 HydrophobicContact CG-CB 4.44Å; F127-V151 HydrophobicContact CE1-CB 4.26Å; F127-V151 HydrophobicContact CE1-CG1 3.95Å; F127-V151 HydrophobicContact CE2-CG1 4.39Å; F127-V151 HydrophobicContact CZ-CB 4.38Å; F127-V151 HydrophobicContact CZ-CG1 3.64Å; F127-I152 HydrophobicContact CB-CD1 3.95Å; F127-I152 HydrophobicContact CB-CG1 4.1Å; F127-I152 HydrophobicContact CD2-CG1 4.29Å; F127-I152 HydrophobicContact CG-CG1 4.16Å; F127-L155 HydrophobicContact CE2-CD1 4.07Å
128	G	97.8	Very high	94.5	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	172.2	166.8	0	0	0	0	0	111.8	A118 V140	A118-G128 PolarHBondContact N-O 3.07Å; A118-G128 PolarHBondContact O-N 2.82Å; G128-V140 WeakPolarHBondContact CA-O 3.38Å
129	Y	97.9	Very high	94.6	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	145.6	172.5	60.6	-91	0	0	0	109.5	I95 I97 H109 I114 Y116 F127 C131 F139 V140 I142	I95-Y129 HydrophobicContact CD1-CD1 3.7Å; I95-Y129 HydrophobicContact CD1-CD2 4.16Å; I95-Y129 HydrophobicContact CD1-CE1 3.71Å; I95-Y129 HydrophobicContact CD1-CE2 4.18Å; I95-Y129 HydrophobicContact CD1-CG 3.94Å; I95-Y129 HydrophobicContact CG2-CE1 4.07Å; I97-Y129 WeakPolarHBondContact CD1-OH 3.34Å; H109-Y129 AromaticContact CD2-CE2 3.63Å; H109-Y129 AromaticContact CD2-CZ 3.79Å; H109-Y129 PolarHBondContact CD2-OH 3.21Å; H109-Y129 PolarHBondContact NE2-OH 3.43Å; I114-Y129 HydrophobicContact CG1-CD2 4.4Å; I114-Y129 HydrophobicContact CG2-CD2 4.3Å; Y116-Y129 CarbonylContact O-C 3.54Å; Y116-Y129 WeakPolarHBondContact O-CA 3.33Å; Y116-Y129 WeakPolarHBondContact O-CB 3.42Å; F127-Y129 HydrophobicContact CE2-CD1 4.22Å; Y129-C131 HydrophobicContact CD2-CB 4Å; Y129-C131 HydrophobicContact CE2-CB 3.99Å; Y129-F139 WeakPolarHBondContact O-CA 3.49Å; Y129-V140 HydrophobicContact CD1-CB 4.35Å; Y129-V140 HydrophobicContact CD2-CB 4.37Å; Y129-V140 HydrophobicContact CD2-CG2 4.44Å; Y129-V140 HydrophobicContact CE1-CB 3.83Å; Y129-V140 HydrophobicContact CE1-CG1 4Å; Y129-V140 HydrophobicContact CE2-CB 3.83Å; Y129-V140 HydrophobicContact CE2-CG2 3.71Å; Y129-V140 PolarHBondContact N-O 2.95Å; Y129-V140 VanDerWaalsContact N-O 3.13Å; Y129-V140 PolarHBondContact O-N 3.26Å; Y129-I142 HydrophobicContact CE1-CG1 4.4Å
130	V	97.3	Very high	94.6	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	133.5	170	-176.9	0	0	0	0	107.8	V53 A56 L61 S115 Y116 H137 R138 F139	V53-V130 HydrophobicContact CG2-CG1 4.01Å; A56-V130 WeakPolarHBondContact O-CB 3.49Å; A56-V130 WeakPolarHBondContact O-CG1 3.45Å; L61-V130 HydrophobicContact CD2-CG2 4.33Å; S115-V130 PolarHBondContact N-O 3.18Å; Y116-V130 PolarHBondContact O-N 2.76Å; V130-H137 HydrophobicContact CG1-CB 3.92Å; V130-R138 WeakPolarHBondContact CA-O 3.28Å; V130-F139 HydrophobicContact CG2-CD2 3.97Å
131	C	95.3	Very high	94.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	154.2	175.7	63.7	0	0	0	0	112.3	H109 E113 I114 Y129 H137 R138	H109-C131 HydrophobicContact CB-CB 4.35Å; H109-C131 VanDerWaalsContact CE1-SG 3.58Å; E113-C131 CarbonylContact O-C 3.6Å; E113-C131 WeakPolarHBondContact O-CA 3.44Å; E113-C131 VanDerWaalsContact O-CB 3.3Å; E113-C131 WeakPolarHBondContact O-CB 3.47Å; I114-C131 HydrophobicContact CG1-CB 4.39Å; Y129-C131 HydrophobicContact CD2-CB 4Å; Y129-C131 HydrophobicContact CE2-CB 3.99Å; C131-H137 CarbonylContact O-C 3.44Å; C131-R138 PolarHBondContact N-O 3.24Å; C131-R138 PolarHBondContact O-N 3.15Å; C131-R138 PolarHBondContact SG-O 2.98Å
132	G	91.4	Very high	94.9	Very high	9 Å²	9	46 Å²	46	9%	0.093	24%	0.238	C	C	.	.	S	Bend	trans	118.2	157.5	178.8	0	0	0	0	0	113	E113 H137	E113-G132 PolarHBondContact O-N 3Å; G132-H137 PolarHBondContact O-ND1 2.68Å
133	K	87.1	Confident	95.1	Very high	145 Å²	145	43.2 Å²	43.2	63%	0.63	22%	0.218	S	C	*	.	S	Bend	trans	-74.2	165.5	-177.8	-57.7	-179.1	-177.1	-178.4	0	110.7	G135 N136 H137	K133-G135 PolarHBondContact O-N 2.98Å; K133-N136 CarbonylContact O-C 3.56Å; K133-N136 WeakPolarHBondContact O-CA 3.3Å; K133-N136 PolarHBondContact O-N 3.31Å; K133-H137 PolarHBondContact O-CE1 3.45Å; K133-H137 PolarHBondContact O-ND1 3.32Å
134	E	84.4	Confident	95.2	Very high	169 Å²	169	41.8 Å²	41.8	79%	0.79	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.9	132.2	-177.8	-61.7	-174.5	155	0	0	112.5	N136	E134-N136 PolarHBondContact O-N 2.99Å
135	G	83.9	Confident	95.1	Very high	72 Å²	72	38.4 Å²	38.4	74%	0.742	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	74	-4.9	-176.1	0	0	0	0	0	115.9	K133	K133-G135 PolarHBondContact O-N 2.98Å
136	N	91.8	Very high	94.9	Very high	113 Å²	113	42.3 Å²	42.3	60%	0.604	23%	0.226	S	C	*	.			trans	-130.2	42.4	-178.5	-72.9	-89.5	0	0	0	111.9	K133 E134	K133-N136 CarbonylContact O-C 3.56Å; K133-N136 WeakPolarHBondContact O-CA 3.3Å; K133-N136 PolarHBondContact O-N 3.31Å; E134-N136 PolarHBondContact O-N 2.99Å
137	H	96.2	Very high	94.8	Very high	21 Å²	21	44.7 Å²	44.7	10%	0.097	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	138.1	-179.2	-52	-64.7	0	0	0	111.7	V53 V130 C131 G132 K133	V53-H137 HydrophobicContact CG2-CB 3.75Å; V53-H137 PolarHBondContact N-O 2.83Å; V130-H137 HydrophobicContact CG1-CB 3.92Å; C131-H137 CarbonylContact O-C 3.44Å; G132-H137 PolarHBondContact O-ND1 2.68Å; K133-H137 PolarHBondContact O-CE1 3.45Å; K133-H137 PolarHBondContact O-ND1 3.32Å
138	R	96.6	Very high	94.8	Very high	93 Å²	93	44.7 Å²	44.7	35%	0.351	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	132.5	176.6	-67	-178.2	-62	-93.8	-8.3	110.8	D51 E52 V130 C131	D51-R138 CarbonylContact O-C 3.52Å; D51-R138 WeakPolarHBondContact O-CA 3.46Å; E52-R138 HydrophobicContact CG-CG 4.21Å; V130-R138 WeakPolarHBondContact CA-O 3.28Å; C131-R138 PolarHBondContact N-O 3.24Å; C131-R138 PolarHBondContact O-N 3.15Å; C131-R138 PolarHBondContact SG-O 2.98Å
139	F	97.9	Very high	94.7	Very high	1 Å²	1	48 Å²	48	0%	0.004	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	119.8	172	-177.8	-106	0	0	0	110.1	L50 D51 V53 C62 M66 L69 A118 Y129 V130 A141	L50-F139 CarbonylContact C-O 3.44Å; L50-F139 WeakPolarHBondContact CA-O 3.36Å; D51-F139 PolarHBondContact N-O 3.36Å; D51-F139 PolarHBondContact O-N 3.25Å; V53-F139 HydrophobicContact CG1-CB 3.73Å; V53-F139 HydrophobicContact CG2-CB 4.46Å; C62-F139 HydrophobicContact CB-CD2 4.11Å; C62-F139 HydrophobicContact CB-CE2 3.55Å; C62-F139 HydrophobicContact CB-CZ 4.05Å; C62-F139 WeakPolarHBondContact O-CZ 3.38Å; M66-F139 HydrophobicContact CB-CE1 3.84Å; M66-F139 HydrophobicContact CB-CZ 4.15Å; M66-F139 HydrophobicContact CE-CE1 4.06Å; M66-F139 HydrophobicContact CE-CZ 4.02Å; L69-F139 HydrophobicContact CD1-CD1 4.2Å; A118-F139 HydrophobicContact CB-CE2 4.19Å; Y129-F139 WeakPolarHBondContact O-CA 3.49Å; V130-F139 HydrophobicContact CG2-CD2 3.97Å; F139-A141 HydrophobicContact CD1-CB 4.35Å; F139-A141 HydrophobicContact CE1-CB 3.92Å
140	V	98.1	Very high	94.6	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	118.7	177.7	-173.8	0	0	0	0	109	L47 L50 I97 G128 Y129 I142	L47-V140 HydrophobicContact CD1-CG1 4.07Å; L50-V140 HydrophobicContact CD2-CG2 3.93Å; L50-V140 HydrophobicContact CG-CG1 4.25Å; L50-V140 HydrophobicContact CG-CG2 4.06Å; I97-V140 HydrophobicContact CD1-CG1 4.01Å; G128-V140 WeakPolarHBondContact CA-O 3.38Å; Y129-V140 HydrophobicContact CD1-CB 4.35Å; Y129-V140 HydrophobicContact CD2-CB 4.37Å; Y129-V140 HydrophobicContact CD2-CG2 4.44Å; Y129-V140 HydrophobicContact CE1-CB 3.83Å; Y129-V140 HydrophobicContact CE1-CG1 4Å; Y129-V140 HydrophobicContact CE2-CB 3.83Å; Y129-V140 HydrophobicContact CE2-CG2 3.71Å; Y129-V140 PolarHBondContact N-O 2.95Å; Y129-V140 VanDerWaalsContact N-O 3.13Å; Y129-V140 PolarHBondContact O-N 3.26Å; V140-I142 HydrophobicContact CG1-CD1 4Å; V140-I142 HydrophobicContact CG1-CG1 4.35Å
141	A	98.2	Very high	94.6	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	123.6	-175.6	0	0	0	0	0	111.6	I48 G49 M66 L69 F139	I48-A141 HydrophobicContact CB-CB 3.82Å; I48-A141 VanDerWaalsContact CB-O 3.28Å; I48-A141 WeakPolarHBondContact CB-O 3.25Å; I48-A141 HydrophobicContact CD1-CB 4.22Å; I48-A141 HydrophobicContact CG1-CB 4.42Å; I48-A141 HydrophobicContact CG2-CB 4.29Å; I48-A141 PolarHBondContact N-O 2.79Å; G49-A141 PolarHBondContact O-N 3.06Å; M66-A141 HydrophobicContact CE-CB 3.72Å; M66-A141 HydrophobicContact SD-CB 3.91Å; L69-A141 HydrophobicContact CD1-CB 3.58Å; F139-A141 HydrophobicContact CD1-CB 4.35Å; F139-A141 HydrophobicContact CE1-CB 3.92Å
142	I	98.4	Very high	94.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	136.3	-172.4	-57.5	-63	0	0	0	110.1	A45 L47 I97 A126 F127 Y129 V140	A45-I142 HydrophobicContact CB-CG2 3.68Å; L47-I142 HydrophobicContact CD1-CD1 3.79Å; I97-I142 HydrophobicContact CD1-CD1 3.93Å; A126-I142 VanDerWaalsContact CA-O 3.26Å; A126-I142 WeakPolarHBondContact CA-O 3.47Å; F127-I142 HydrophobicContact CD1-CB 4.24Å; F127-I142 HydrophobicContact CD1-CG2 4.46Å; F127-I142 HydrophobicContact CE1-CB 3.79Å; F127-I142 HydrophobicContact CE1-CG2 3.74Å; F127-I142 HydrophobicContact CZ-CB 4.12Å; F127-I142 HydrophobicContact CZ-CG1 4.39Å; F127-I142 HydrophobicContact CZ-CG2 4.27Å; F127-I142 PolarHBondContact N-O 3.3Å; F127-I142 PolarHBondContact O-N 2.75Å; F127-I142 VanDerWaalsContact O-O 3.04Å; Y129-I142 HydrophobicContact CE1-CG1 4.4Å; V140-I142 HydrophobicContact CG1-CD1 4Å; V140-I142 HydrophobicContact CG1-CG1 4.35Å
143	K	97.8	Very high	94.9	Very high	40 Å²	40	54.6 Å²	54.6	17%	0.174	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	115.1	167.1	-173.6	173	174.6	89.2	0	110.8	A45 K46 I48 D123 R125	A45-K143 CarbonylContact C-O 3.58Å; A45-K143 WeakPolarHBondContact CA-O 3.21Å; K46-K143 PolarHBondContact N-O 3.31Å; K46-K143 PolarHBondContact O-N 3.35Å; I48-K143 HydrophobicContact CD1-CB 4.06Å; I48-K143 HydrophobicContact CG1-CB 4.09Å; D123-K143 IonicContact OD1-NZ 3.23Å; D123-K143 PolarHBondContact OD1-NZ 3.37Å; D123-K143 IonicContact OD2-NZ 2.83Å; D123-K143 PolarHBondContact OD2-NZ 2.84Å; R125-K143 HydrophobicContact CB-CG 4.29Å; R125-K143 CarbonylContact O-C 3.49Å; R125-K143 WeakPolarHBondContact O-CA 3.39Å
144	T	97.9	Very high	95.3	Very high	5 Å²	5	47.9 Å²	47.9	3%	0.031	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	162.6	178.8	67.1	0	0	0	0	112.3	R125 F127 Q146 S147 A148 V151	R125-T144 PolarHBondContact NH2-O 2.84Å; R125-T144 PolarHBondContact O-N 3.1Å; R125-T144 PolarHBondContact O-OG1 2.98Å; F127-T144 HydrophobicContact CD1-CG2 4.3Å; F127-T144 HydrophobicContact CE1-CG2 3.99Å; T144-Q146 PolarHBondContact OG1-O 2.76Å; T144-Q146 VanDerWaalsContact OG1-O 3.07Å; T144-S147 PolarHBondContact OG1-O 2.92Å; T144-A148 HydrophobicContact CG2-CB 4.49Å; T144-A148 PolarHBondContact OG1-N 3.47Å; T144-V151 HydrophobicContact CG2-CG2 3.96Å
145	A	95.1	Very high	95.9	Very high	57 Å²	57	39.8 Å²	39.8	47%	0.471	23%	0.228	S	C	.	.	S	Bend	trans	-67.4	-36.3	177.2	0	0	0	0	0	112.9	K44 R125	K44-A145 HydrophobicContact CB-CB 4.08Å; K44-A145 WeakPolarHBondContact O-CB 3.44Å; K44-A145 PolarHBondContact O-N 3.34Å; R125-A145 PolarHBondContact NH2-O 2.82Å
146	Q	93	Very high	96.5	Very high	164 Å²	164	39.9 Å²	39.9	77%	0.766	21%	0.205	S	C	*	.	S	Bend	trans	-115.1	-130.4	177.1	-64	-177.1	-7	0	0	109.2	R125 T144	R125-Q146 WeakPolarHBondContact CB-O 3.5Å; R125-Q146 WeakPolarHBondContact CD-O 3.14Å; R125-Q146 WeakPolarHBondContact CG-O 3.42Å; R125-Q146 PolarHBondContact NE-O 2.9Å; T144-Q146 PolarHBondContact OG1-O 2.76Å; T144-Q146 VanDerWaalsContact OG1-O 3.07Å
147	S	96.5	Very high	96.7	Very high	49 Å²	49	35.2 Å²	35.2	34%	0.343	18%	0.18	S	C	.	.			trans	-74.6	154.8	172.7	-177.8	0	0	0	0	111.7	T144 E149	T144-S147 PolarHBondContact OG1-O 2.92Å; S147-E149 PolarHBondContact OG-N 3.3Å
148	A	97.6	Very high	96.7	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.008	18%	0.176	C	C	.	.	S	Bend	trans	-81.4	-24.1	168.7	0	0	0	0	0	112.7	H124 F127 T144 P150 V151 I152	H124-A148 PolarHBondContact O-N 3.03Å; F127-A148 HydrophobicContact CB-CB 4.17Å; F127-A148 HydrophobicContact CD1-CB 3.95Å; F127-A148 HydrophobicContact CG-CB 4.44Å; T144-A148 HydrophobicContact CG2-CB 4.49Å; T144-A148 PolarHBondContact OG1-N 3.47Å; A148-P150 VanDerWaalsContact C-CD 3.49Å; A148-V151 WeakPolarHBondContact O-CB 3.41Å; A148-V151 PolarHBondContact O-N 3.22Å; A148-I152 HydrophobicContact CB-CD1 4.08Å; A148-I152 PolarHBondContact O-N 2.76Å
149	E	96.4	Very high	96.6	Very high	68 Å²	68	30.6 Å²	30.6	32%	0.318	16%	0.163	S	C	.	.	H	α-helix	trans	-50.9	-46.7	-171.1	-147.4	77.1	162.8	0	0	114.7	K119 S147 V151 I152 L153	K119-E149 WeakPolarHBondContact CE-OE2 3.38Å; K119-E149 IonicContact NZ-OE1 3.95Å; K119-E149 PolarHBondContact NZ-OE1 3.26Å; K119-E149 IonicContact NZ-OE2 2.79Å; K119-E149 PolarHBondContact NZ-OE2 2.92Å; S147-E149 PolarHBondContact OG-N 3.3Å; E149-V151 PolarHBondContact O-N 3.18Å; E149-I152 PolarHBondContact O-N 3.09Å; E149-L153 HydrophobicContact CG-CD1 4.01Å; E149-L153 HydrophobicContact CG-CG 4.39Å; E149-L153 WeakPolarHBondContact O-CB 3.46Å; E149-L153 VanDerWaalsContact O-CG 3.25Å; E149-L153 WeakPolarHBondContact O-CG 3.45Å; E149-L153 PolarHBondContact O-N 2.92Å
150	P	96.2	Very high	96.5	Very high	60 Å²	60	33.2 Å²	33.2	39%	0.39	18%	0.175	S	C	.	.	H	α-helix	trans	-63.5	-25.3	-178.9	-21.9	34.9	0	0	0	113.4	Y43 A148 D154	Y43-P150 HydrophobicContact CE1-CB 4.29Å; Y43-P150 PolarHBondContact OH-O 3.35Å; A148-P150 VanDerWaalsContact C-CD 3.49Å; P150-D154 WeakPolarHBondContact O-CB 3.38Å; P150-D154 PolarHBondContact O-N 2.88Å; P150-D154 VanDerWaalsContact O-N 3.13Å
151	V	96.9	Very high	96.3	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	18%	0.176	C	C	.	.	H	α-helix	trans	-80.1	-42.6	178.7	-171.1	0	0	0	0	110.7	Y43 L88 V90 F127 T144 A148 E149 L153 D154 L155	Y43-V151 HydrophobicContact CD1-CG2 3.66Å; Y43-V151 HydrophobicContact CD2-CG1 4.36Å; Y43-V151 HydrophobicContact CD2-CG2 3.92Å; Y43-V151 HydrophobicContact CE1-CG2 3.82Å; Y43-V151 HydrophobicContact CE2-CG1 4.47Å; Y43-V151 HydrophobicContact CE2-CG2 4.08Å; Y43-V151 HydrophobicContact CG-CG2 3.7Å; L88-V151 HydrophobicContact CD2-CG1 3.45Å; L88-V151 VanDerWaalsContact CD2-CG1 3.45Å; V90-V151 HydrophobicContact CG2-CG1 4.46Å; F127-V151 HydrophobicContact CE1-CB 4.26Å; F127-V151 HydrophobicContact CE1-CG1 3.95Å; F127-V151 HydrophobicContact CE2-CG1 4.39Å; F127-V151 HydrophobicContact CZ-CB 4.38Å; F127-V151 HydrophobicContact CZ-CG1 3.64Å; T144-V151 HydrophobicContact CG2-CG2 3.96Å; A148-V151 WeakPolarHBondContact O-CB 3.41Å; A148-V151 PolarHBondContact O-N 3.22Å; E149-V151 PolarHBondContact O-N 3.18Å; V151-L153 VanDerWaalsContact C-N 3.31Å; V151-D154 PolarHBondContact O-N 3.02Å; V151-L155 HydrophobicContact CG1-CD1 4.3Å; V151-L155 WeakPolarHBondContact O-CG 3.28Å; V151-L155 PolarHBondContact O-N 2.77Å
152	I	96.7	Very high	96.1	Very high	22 Å²	22	34.9 Å²	34.9	11%	0.113	18%	0.184	C	C	.	.	H	α-helix	trans	-62.7	-43.4	176.3	-59.9	165.6	0	0	0	109.7	I117 K119 F127 A148 E149 L155 R156	I117-I152 HydrophobicContact CG2-CG2 4.29Å; K119-I152 HydrophobicContact CB-CD1 3.99Å; K119-I152 HydrophobicContact CD-CD1 4.18Å; K119-I152 HydrophobicContact CG-CD1 3.9Å; F127-I152 HydrophobicContact CB-CD1 3.95Å; F127-I152 HydrophobicContact CB-CG1 4.1Å; F127-I152 HydrophobicContact CD2-CG1 4.29Å; F127-I152 HydrophobicContact CG-CG1 4.16Å; A148-I152 HydrophobicContact CB-CD1 4.08Å; A148-I152 PolarHBondContact O-N 2.76Å; E149-I152 PolarHBondContact O-N 3.09Å; I152-L155 PolarHBondContact O-N 2.95Å; I152-R156 PolarHBondContact O-N 3.37Å
153	L	96	Very high	95.8	Very high	66 Å²	66	36.9 Å²	36.9	35%	0.346	19%	0.192	S	C	.	.	H	α-helix	trans	-63.3	-44.4	176.1	-73.1	172.7	0	0	0	112.3	E149 V151 L155 R156 D157	E149-L153 HydrophobicContact CG-CD1 4.01Å; E149-L153 HydrophobicContact CG-CG 4.39Å; E149-L153 WeakPolarHBondContact O-CB 3.46Å; E149-L153 VanDerWaalsContact O-CG 3.25Å; E149-L153 WeakPolarHBondContact O-CG 3.45Å; E149-L153 PolarHBondContact O-N 2.92Å; V151-L153 VanDerWaalsContact C-N 3.31Å; L153-L155 VanDerWaalsContact C-N 3.3Å; L153-L155 PolarHBondContact O-N 3.49Å; L153-R156 PolarHBondContact O-N 2.9Å; L153-D157 WeakPolarHBondContact O-CB 3.06Å; L153-D157 PolarHBondContact O-N 2.89Å
154	D	96.6	Very high	95.6	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.016	20%	0.198	C	C	.	.	H	α-helix	trans	-63.3	-34.5	175.1	-87.1	32	0	0	0	112.9	R35 F36 Y43 P150 V151 L158	R35-D154 IonicContact CZ-OD1 3.67Å; R35-D154 IonicContact CZ-OD2 3.66Å; R35-D154 IonicContact NE-OD1 3.18Å; R35-D154 IonicContact NE-OD2 2.72Å; R35-D154 PolarHBondContact NE-OD2 3.16Å; R35-D154 IonicContact NH1-OD1 2.94Å; R35-D154 PolarHBondContact NH1-OD1 2.72Å; R35-D154 IonicContact NH1-OD2 3.35Å; R35-D154 IonicContact NH2-OD1 3.41Å; R35-D154 PolarHBondContact NH2-OD1 3.18Å; R35-D154 IonicContact NH2-OD2 2.76Å; R35-D154 PolarHBondContact NH2-OD2 3.27Å; F36-D154 HydrophobicContact CE1-CB 4.05Å; F36-D154 HydrophobicContact CZ-CB 4.13Å; F36-D154 WeakPolarHBondContact CZ-O 3.32Å; Y43-D154 VanDerWaalsContact OH-CG 3.25Å; Y43-D154 PolarHBondContact OH-OD2 3.1Å; P150-D154 WeakPolarHBondContact O-CB 3.38Å; P150-D154 PolarHBondContact O-N 2.88Å; P150-D154 VanDerWaalsContact O-N 3.13Å; V151-D154 PolarHBondContact O-N 3.02Å; D154-L158 VanDerWaalsContact O-CB 3.23Å; D154-L158 WeakPolarHBondContact O-CB 3.3Å; D154-L158 PolarHBondContact O-N 3.24Å
155	L	96.6	Very high	95.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-70.8	-40.2	175.2	-71.8	166.2	0	0	0	112.2	V90 I95 I117 F127 V151 I152 L153 L158 F159	V90-L155 HydrophobicContact CG1-CD2 3.73Å; V90-L155 HydrophobicContact CG1-CG 4.3Å; V90-L155 HydrophobicContact CG2-CD2 4.01Å; V90-L155 HydrophobicContact CG2-CG 4.29Å; I95-L155 HydrophobicContact CD1-CD1 4.07Å; I95-L155 HydrophobicContact CD1-CD2 3.79Å; I95-L155 HydrophobicContact CG1-CD2 3.77Å; I117-L155 HydrophobicContact CD1-CB 3.51Å; I117-L155 HydrophobicContact CD1-CD1 3.92Å; I117-L155 HydrophobicContact CD1-CG 4.25Å; F127-L155 HydrophobicContact CE2-CD1 4.07Å; V151-L155 HydrophobicContact CG1-CD1 4.3Å; V151-L155 WeakPolarHBondContact O-CG 3.28Å; V151-L155 PolarHBondContact O-N 2.77Å; I152-L155 PolarHBondContact O-N 2.95Å; L153-L155 VanDerWaalsContact C-N 3.3Å; L153-L155 PolarHBondContact O-N 3.49Å; L155-L158 PolarHBondContact O-N 3.08Å; L155-F159 HydrophobicContact CD2-CE1 4.41Å; L155-F159 HydrophobicContact CD2-CZ 4.42Å; L155-F159 WeakPolarHBondContact O-CD1 3.05Å; L155-F159 VanDerWaalsContact O-CG 3.25Å; L155-F159 WeakPolarHBondContact O-CG 3.47Å; L155-F159 PolarHBondContact O-N 3.29Å
156	R	95.3	Very high	94.9	Very high	73 Å²	73	41.4 Å²	41.4	28%	0.275	21%	0.205	S	C	.	.	H	α-helix	trans	-59	-50.4	170.9	-177.8	-179.4	172.9	171.9	-2.9	110.6	I152 L153 L158 F159 Q160 L233 E234	I152-R156 PolarHBondContact O-N 3.37Å; L153-R156 PolarHBondContact O-N 2.9Å; R156-L158 VanDerWaalsContact C-N 3.29Å; R156-L158 PolarHBondContact O-N 2.62Å; R156-F159 PolarHBondContact O-N 2.9Å; R156-Q160 WeakPolarHBondContact O-CB 3.46Å; R156-Q160 PolarHBondContact O-N 2.76Å; R156-L233 HydrophobicContact CB-CD2 4Å; R156-L233 HydrophobicContact CG-CD2 4.11Å; R156-L233 PolarHBondContact NH1-O 3.26Å; R156-E234 IonicContact CZ-OE1 3.11Å; R156-E234 IonicContact NH2-OE1 3.22Å; R156-E234 PolarHBondContact NH2-OE1 3.15Å
157	D	96.3	Very high	94.8	Very high	15 Å²	15	37.2 Å²	37.2	8%	0.08	19%	0.185	C	C	.	.	H	α-helix	trans	-61.1	-37.9	-179.1	-66	-10.1	0	0	0	111.6	R27 L32 F36 L153 L161	R27-D157 IonicContact CZ-OD1 2.94Å; R27-D157 IonicContact CZ-OD2 2.67Å; R27-D157 VanDerWaalsContact CZ-OD2 3.23Å; R27-D157 IonicContact NE-OD1 2.68Å; R27-D157 PolarHBondContact NE-OD1 3.35Å; R27-D157 IonicContact NE-OD2 4Å; R27-D157 PolarHBondContact NE-OD2 2.97Å; R27-D157 IonicContact NH2-OD1 2.6Å; R27-D157 PolarHBondContact NH2-OD1 3.34Å; R27-D157 IonicContact NH2-OD2 2.62Å; R27-D157 PolarHBondContact NH2-OD2 2.87Å; L32-D157 HydrophobicContact CD1-CB 4.08Å; L32-D157 HydrophobicContact CD2-CB 4Å; F36-D157 HydrophobicContact CE2-CB 4.15Å; F36-D157 HydrophobicContact CZ-CB 4.2Å; L153-D157 WeakPolarHBondContact O-CB 3.06Å; L153-D157 PolarHBondContact O-N 2.89Å; D157-L161 WeakPolarHBondContact O-CB 3.37Å; D157-L161 PolarHBondContact O-N 2.88Å; D157-L161 VanDerWaalsContact O-N 3.11Å
158	L	96.1	Very high	94.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.4	-46.4	175.3	174.6	66.8	0	0	0	112.5	F36 V90 S91 F92 V111 D154 L155 R156 L161 I162	F36-L158 HydrophobicContact CB-CD1 3.88Å; F36-L158 HydrophobicContact CD1-CD1 4.47Å; F36-L158 HydrophobicContact CD2-CB 4.12Å; F36-L158 HydrophobicContact CD2-CD1 3.83Å; F36-L158 HydrophobicContact CE2-CB 3.92Å; F36-L158 HydrophobicContact CE2-CD1 4.49Å; F36-L158 HydrophobicContact CG-CD1 3.82Å; F36-L158 HydrophobicContact CZ-CB 4.14Å; V90-L158 HydrophobicContact CG1-CD2 3.71Å; S91-L158 VanDerWaalsContact O-CD2 3.28Å; S91-L158 WeakPolarHBondContact O-CD2 3.45Å; F92-L158 HydrophobicContact CD1-CD1 4.21Å; V111-L158 HydrophobicContact CG2-CD2 4.3Å; D154-L158 VanDerWaalsContact O-CB 3.23Å; D154-L158 WeakPolarHBondContact O-CB 3.3Å; D154-L158 PolarHBondContact O-N 3.24Å; L155-L158 PolarHBondContact O-N 3.08Å; R156-L158 VanDerWaalsContact C-N 3.29Å; R156-L158 PolarHBondContact O-N 2.62Å; L158-L161 PolarHBondContact O-N 2.67Å; L158-I162 HydrophobicContact CD1-CD1 3.68Å; L158-I162 HydrophobicContact CD1-CG1 4.33Å; L158-I162 HydrophobicContact CG-CD1 3.98Å; L158-I162 WeakPolarHBondContact O-CG1 3.46Å; L158-I162 PolarHBondContact O-N 2.8Å
159	F	95.6	Very high	94	Very high	17 Å²	17	45 Å²	45	8%	0.075	21%	0.211	C	C	.	.	H	α-helix	trans	-69.9	-41.4	-176.3	-66.9	-4	0	0	0	111.3	V111 I114 I117 L155 R156 I162 Y163	V111-F159 HydrophobicContact CG1-CD1 3.76Å; V111-F159 HydrophobicContact CG1-CE1 3.83Å; V111-F159 HydrophobicContact CG2-CE1 4.39Å; I114-F159 HydrophobicContact CB-CZ 4.03Å; I114-F159 HydrophobicContact CD1-CE1 4.47Å; I114-F159 HydrophobicContact CD1-CZ 4.08Å; I114-F159 HydrophobicContact CG2-CE2 4.11Å; I114-F159 HydrophobicContact CG2-CZ 3.8Å; I117-F159 HydrophobicContact CD1-CD2 4.26Å; I117-F159 HydrophobicContact CD1-CE2 3.56Å; I117-F159 HydrophobicContact CD1-CZ 4.12Å; I117-F159 HydrophobicContact CG1-CE2 4.28Å; L155-F159 HydrophobicContact CD2-CE1 4.41Å; L155-F159 HydrophobicContact CD2-CZ 4.42Å; L155-F159 WeakPolarHBondContact O-CD1 3.05Å; L155-F159 VanDerWaalsContact O-CG 3.25Å; L155-F159 WeakPolarHBondContact O-CG 3.47Å; L155-F159 PolarHBondContact O-N 3.29Å; R156-F159 PolarHBondContact O-N 2.9Å; F159-I162 PolarHBondContact O-N 3.16Å; F159-Y163 WeakPolarHBondContact O-CB 3.39Å; F159-Y163 PolarHBondContact O-N 2.88Å
160	Q	95.2	Very high	93.5	Very high	57 Å²	57	46.7 Å²	46.7	27%	0.266	22%	0.219	S	C	.	.	H	α-helix	trans	-58.4	-50	171.8	-171.3	67	59.4	0	0	111.1	R156 I162 Y163 D164 I230	R156-Q160 WeakPolarHBondContact O-CB 3.46Å; R156-Q160 PolarHBondContact O-N 2.76Å; Q160-I162 VanDerWaalsContact C-N 3.29Å; Q160-I162 PolarHBondContact O-N 2.82Å; Q160-Y163 WeakPolarHBondContact O-CB 2.92Å; Q160-Y163 PolarHBondContact O-N 3.18Å; Q160-Y163 VanDerWaalsContact O-N 3.11Å; Q160-D164 PolarHBondContact NE2-OD1 3.05Å; Q160-D164 PolarHBondContact O-N 3.41Å; Q160-I230 VanDerWaalsContact OE1-CG2 3.26Å
161	L	94.8	Very high	92.9	Very high	3 Å²	3	49 Å²	49	2%	0.016	23%	0.226	C	C	.	.	H	α-helix	trans	-58	-40.7	179.8	178.7	67.4	0	0	0	112.8	E29 L32 I33 F36 F92 D157 L158 I165	E29-L161 HydrophobicContact CB-CD1 4.46Å; E29-L161 HydrophobicContact CG-CD1 3.52Å; L32-L161 HydrophobicContact CB-CD2 3.77Å; I33-L161 HydrophobicContact CD1-CD1 4.49Å; I33-L161 HydrophobicContact CG1-CD1 3.99Å; I33-L161 HydrophobicContact CG1-CD2 3.94Å; I33-L161 HydrophobicContact CG1-CG 4.43Å; F36-L161 HydrophobicContact CD2-CD2 4.17Å; F92-L161 HydrophobicContact CE1-CD2 3.79Å; F92-L161 HydrophobicContact CE1-CG 4.31Å; F92-L161 HydrophobicContact CZ-CD2 3.57Å; F92-L161 HydrophobicContact CZ-CG 4.44Å; D157-L161 WeakPolarHBondContact O-CB 3.37Å; D157-L161 PolarHBondContact O-N 2.88Å; D157-L161 VanDerWaalsContact O-N 3.11Å; L158-L161 PolarHBondContact O-N 2.67Å; L161-I165 HydrophobicContact CD1-CD1 3.85Å; L161-I165 HydrophobicContact CD1-CG1 4.32Å; L161-I165 HydrophobicContact CG-CD1 3.86Å; L161-I165 WeakPolarHBondContact O-CB 3.17Å; L161-I165 WeakPolarHBondContact O-CD1 3.35Å; L161-I165 WeakPolarHBondContact O-CG1 3.28Å; L161-I165 PolarHBondContact O-N 2.9Å
162	I	93.8	Very high	92.3	Very high	32 Å²	32	55.1 Å²	55.1	16%	0.164	25%	0.254	C	S	.	.	H	α-helix	trans	-70.5	-36.5	178.8	-71.9	170.1	0	0	0	111.3	F92 V111 L158 F159 Q160 K166	F92-I162 HydrophobicContact CD1-CD1 3.88Å; F92-I162 HydrophobicContact CD1-CG1 3.76Å; F92-I162 HydrophobicContact CE1-CD1 4.49Å; F92-I162 HydrophobicContact CE1-CG1 3.95Å; V111-I162 HydrophobicContact CB-CD1 4.21Å; V111-I162 HydrophobicContact CG1-CD1 3.93Å; V111-I162 HydrophobicContact CG2-CD1 3.69Å; L158-I162 HydrophobicContact CD1-CD1 3.68Å; L158-I162 HydrophobicContact CD1-CG1 4.33Å; L158-I162 HydrophobicContact CG-CD1 3.98Å; L158-I162 WeakPolarHBondContact O-CG1 3.46Å; L158-I162 PolarHBondContact O-N 2.8Å; F159-I162 PolarHBondContact O-N 3.16Å; Q160-I162 VanDerWaalsContact C-N 3.29Å; Q160-I162 PolarHBondContact O-N 2.82Å; I162-K166 WeakPolarHBondContact O-CB 3.2Å; I162-K166 WeakPolarHBondContact O-CG 3.31Å; I162-K166 PolarHBondContact O-N 2.94Å
163	Y	92.1	Very high	91.7	Very high	42 Å²	42	60 Å²	60	17%	0.165	28%	0.275	C	S	.	.	H	α-helix	trans	-62.2	-52.4	172.4	179	-90.8	0	0	0	111.1	F159 Q160 I165 K166 Q167 L223 V226 T227 I230	F159-Y163 WeakPolarHBondContact O-CB 3.39Å; F159-Y163 PolarHBondContact O-N 2.88Å; Q160-Y163 WeakPolarHBondContact O-CB 2.92Å; Q160-Y163 PolarHBondContact O-N 3.18Å; Q160-Y163 VanDerWaalsContact O-N 3.11Å; Y163-I165 VanDerWaalsContact C-N 3.34Å; Y163-I165 PolarHBondContact O-N 2.83Å; Y163-K166 PolarHBondContact O-N 3.13Å; Y163-Q167 VanDerWaalsContact CE1-NE2 3.32Å; Y163-Q167 WeakPolarHBondContact O-CB 3.45Å; Y163-Q167 PolarHBondContact O-N 3.31Å; Y163-Q167 PolarHBondContact OH-NE2 3.26Å; Y163-L223 HydrophobicContact CD2-CD1 3.61Å; Y163-L223 HydrophobicContact CD2-CG 4.42Å; Y163-L223 HydrophobicContact CE2-CD1 3.48Å; Y163-L223 VanDerWaalsContact CE2-CD1 3.48Å; Y163-L223 HydrophobicContact CE2-CG 3.85Å; Y163-V226 HydrophobicContact CD2-CG1 4.09Å; Y163-T227 WeakPolarHBondContact CE2-OG1 3.39Å; Y163-I230 HydrophobicContact CD2-CD1 4.48Å; Y163-I230 HydrophobicContact CG-CD1 4.14Å
164	D	92.6	Very high	91	Very high	57 Å²	57	63.7 Å²	63.7	31%	0.305	29%	0.288	S	S	.	.	H	α-helix	trans	-59.6	-42.6	-178.7	-60.4	-14.2	0	0	0	112.1	Q160 R168	Q160-D164 PolarHBondContact NE2-OD1 3.05Å; Q160-D164 PolarHBondContact O-N 3.41Å; D164-R168 WeakPolarHBondContact O-CB 3.36Å; D164-R168 PolarHBondContact O-N 3.27Å; D164-R168 VanDerWaalsContact O-N 3.13Å
165	I	90.4	Very high	90.2	Very high	55 Å²	55	65.4 Å²	65.4	28%	0.282	30%	0.303	S	S	.	.	H	α-helix	trans	-65.3	-47.3	176.7	-71	170.2	0	0	0	110.9	I33 F92 L161 Y163 R168 E169	I33-I165 HydrophobicContact CD1-CD1 4.27Å; I33-I165 HydrophobicContact CG1-CD1 4.28Å; F92-I165 HydrophobicContact CE1-CD1 4.46Å; L161-I165 HydrophobicContact CD1-CD1 3.85Å; L161-I165 HydrophobicContact CD1-CG1 4.32Å; L161-I165 HydrophobicContact CG-CD1 3.86Å; L161-I165 WeakPolarHBondContact O-CB 3.17Å; L161-I165 WeakPolarHBondContact O-CD1 3.35Å; L161-I165 WeakPolarHBondContact O-CG1 3.28Å; L161-I165 PolarHBondContact O-N 2.9Å; Y163-I165 VanDerWaalsContact C-N 3.34Å; Y163-I165 PolarHBondContact O-N 2.83Å; I165-R168 PolarHBondContact O-N 2.75Å; I165-E169 WeakPolarHBondContact O-CB 3.48Å; I165-E169 PolarHBondContact O-N 2.91Å
166	K	88.8	Confident	89.2	Confident	85 Å²	85	71 Å²	71	37%	0.37	33%	0.329	S	S	.	.	H	α-helix	trans	-59.8	-49.8	177.9	-87.2	-175.3	165.2	-166.6	0	111.9	I162 Y163 R168 E169 E170	I162-K166 WeakPolarHBondContact O-CB 3.2Å; I162-K166 WeakPolarHBondContact O-CG 3.31Å; I162-K166 PolarHBondContact O-N 2.94Å; Y163-K166 PolarHBondContact O-N 3.13Å; K166-R168 VanDerWaalsContact C-N 3.26Å; K166-R168 PolarHBondContact O-N 3.37Å; K166-E169 PolarHBondContact O-N 3.48Å; K166-E170 WeakPolarHBondContact O-CB 3.33Å; K166-E170 PolarHBondContact O-N 3.49Å
167	Q	89.6	Confident	88.1	Confident	76 Å²	76	73.6 Å²	73.6	36%	0.355	34%	0.342	S	S	.	.	H	α-helix	trans	-59.3	-40.5	-177.9	-163.9	-158.6	82	0	0	110.8	Y163 M171	Y163-Q167 VanDerWaalsContact CE1-NE2 3.32Å; Y163-Q167 WeakPolarHBondContact O-CB 3.45Å; Y163-Q167 PolarHBondContact O-N 3.31Å; Y163-Q167 PolarHBondContact OH-NE2 3.26Å; Q167-M171 HydrophobicContact CG-CE 4.15Å; Q167-M171 WeakPolarHBondContact O-CG 3.45Å; Q167-M171 PolarHBondContact O-N 3.18Å; Q167-M171 VanDerWaalsContact O-N 3.08Å
168	R	89.6	Confident	86.7	Confident	119 Å²	119	77.1 Å²	77.1	45%	0.449	36%	0.361	S	S	.	.	H	α-helix	trans	-66.3	-46.5	174.8	-168.7	-174.5	-58	157.8	1.8	112.7	E29 D164 I165 K166 E170 M171 E172	E29-R168 VanDerWaalsContact CD-NH1 3.35Å; E29-R168 IonicContact OE1-CZ 2.83Å; E29-R168 IonicContact OE1-NH1 2.78Å; E29-R168 PolarHBondContact OE1-NH1 3.28Å; E29-R168 IonicContact OE1-NH2 3.87Å; E29-R168 IonicContact OE2-CZ 3.76Å; E29-R168 IonicContact OE2-NH1 2.68Å; E29-R168 PolarHBondContact OE2-NH1 2.98Å; E29-R168 IonicContact OE2-NH2 2.83Å; E29-R168 PolarHBondContact OE2-NH2 3.36Å; D164-R168 WeakPolarHBondContact O-CB 3.36Å; D164-R168 PolarHBondContact O-N 3.27Å; D164-R168 VanDerWaalsContact O-N 3.13Å; I165-R168 PolarHBondContact O-N 2.75Å; K166-R168 VanDerWaalsContact C-N 3.26Å; K166-R168 PolarHBondContact O-N 3.37Å; R168-E170 VanDerWaalsContact C-N 3.28Å; R168-E170 PolarHBondContact O-N 3.35Å; R168-M171 PolarHBondContact O-N 3.08Å; R168-E172 PolarHBondContact O-N 3.44Å
169	E	88.6	Confident	85.6	Confident	95 Å²	95	83.2 Å²	83.2	44%	0.444	39%	0.387	S	S	.	.	H	α-helix	trans	-61.6	-36.7	179	-165.8	-167.6	154.7	0	0	111.9	I165 K166 K173	I165-E169 WeakPolarHBondContact O-CB 3.48Å; I165-E169 PolarHBondContact O-N 2.91Å; K166-E169 PolarHBondContact O-N 3.48Å; E169-K173 VanDerWaalsContact CD-NZ 3.32Å; E169-K173 VanDerWaalsContact O-CG 3.28Å; E169-K173 WeakPolarHBondContact O-CG 3.48Å; E169-K173 PolarHBondContact O-N 3.11Å; E169-K173 WeakPolarHBondContact OE1-CE 3.48Å; E169-K173 IonicContact OE1-NZ 3.97Å; E169-K173 PolarHBondContact OE1-NZ 3.17Å
170	E	86.5	Confident	84.1	Confident	102 Å²	102	89.4 Å²	89.4	48%	0.477	42%	0.417	S	S	.	.	H	α-helix	trans	-71.1	-45.4	176.5	-179.3	157.4	-156.7	0	0	112.8	K166 R168 E172 K173 K174	K166-E170 WeakPolarHBondContact O-CB 3.33Å; K166-E170 PolarHBondContact O-N 3.49Å; R168-E170 VanDerWaalsContact C-N 3.28Å; R168-E170 PolarHBondContact O-N 3.35Å; E170-E172 VanDerWaalsContact C-N 3.29Å; E170-E172 PolarHBondContact O-N 3.29Å; E170-K173 PolarHBondContact O-N 3.41Å; E170-K174 PolarHBondContact O-N 3.5Å
171	M	82.4	Confident	82.3	Confident	109 Å²	109	90.6 Å²	90.6	54%	0.537	43%	0.43	S	S	.	.	H	α-helix	trans	-60.1	-38.7	173.5	-74.4	-169.6	-72.7	0	0	112.1	Q167 R168 K174 A175	Q167-M171 HydrophobicContact CG-CE 4.15Å; Q167-M171 WeakPolarHBondContact O-CG 3.45Å; Q167-M171 PolarHBondContact O-N 3.18Å; Q167-M171 VanDerWaalsContact O-N 3.08Å; R168-M171 PolarHBondContact O-N 3.08Å; M171-K174 PolarHBondContact O-N 3.5Å; M171-A175 WeakPolarHBondContact O-CB 3.41Å; M171-A175 PolarHBondContact O-N 2.81Å
172	E	84.8	Confident	80.5	Confident	129 Å²	129	95.7 Å²	95.7	60%	0.603	45%	0.454	S	S	*	.	H	α-helix	trans	-65.1	-45.8	175.2	-173.4	170.1	-167	0	0	111.8	R168 E170 K174 A175 Q176	R168-E172 PolarHBondContact O-N 3.44Å; E170-E172 VanDerWaalsContact C-N 3.29Å; E170-E172 PolarHBondContact O-N 3.29Å; E172-K174 VanDerWaalsContact C-N 3.3Å; E172-K174 PolarHBondContact O-N 3.06Å; E172-A175 PolarHBondContact O-N 3Å; E172-Q176 WeakPolarHBondContact O-CB 3.27Å; E172-Q176 PolarHBondContact O-N 3.43Å
173	K	83.9	Confident	78.8	Confident	126 Å²	126	100.7 Å²	100.7	55%	0.548	48%	0.476	S	S	.	.	H	α-helix	trans	-58.1	-40.6	175.2	-75.2	165.9	-174.2	163.4	0	112.5	E169 E170 Q176 K177	E169-K173 VanDerWaalsContact CD-NZ 3.32Å; E169-K173 VanDerWaalsContact O-CG 3.28Å; E169-K173 WeakPolarHBondContact O-CG 3.48Å; E169-K173 PolarHBondContact O-N 3.11Å; E169-K173 WeakPolarHBondContact OE1-CE 3.48Å; E169-K173 IonicContact OE1-NZ 3.97Å; E169-K173 PolarHBondContact OE1-NZ 3.17Å; E170-K173 PolarHBondContact O-N 3.41Å; K173-Q176 PolarHBondContact O-N 2.95Å; K173-K177 PolarHBondContact O-N 2.84Å; K173-K177 VanDerWaalsContact O-N 3.1Å
174	K	80.9	Confident	77.2	Confident	143 Å²	143	101.2 Å²	101.2	62%	0.622	49%	0.489	S	S	*	.	H	α-helix	trans	-63.6	-52.2	175.1	-175	178.2	176.7	-178.1	0	111.2	E170 M171 E172 Q176 K177 D178	E170-K174 PolarHBondContact O-N 3.5Å; M171-K174 PolarHBondContact O-N 3.5Å; E172-K174 VanDerWaalsContact C-N 3.3Å; E172-K174 PolarHBondContact O-N 3.06Å; K174-Q176 PolarHBondContact O-N 2.88Å; K174-K177 WeakPolarHBondContact O-CB 3.39Å; K174-K177 PolarHBondContact O-N 3.03Å; K174-K177 VanDerWaalsContact O-N 3.08Å; K174-D178 PolarHBondContact O-N 3.13Å
175	A	80.5	Confident	75.5	Confident	39 Å²	39	103.2 Å²	103.2	32%	0.322	50%	0.503	S	S	.	.	H	α-helix	trans	-59.9	-33.1	178.2	0	0	0	0	0	113.1	M171 E172 K179	M171-A175 WeakPolarHBondContact O-CB 3.41Å; M171-A175 PolarHBondContact O-N 2.81Å; E172-A175 PolarHBondContact O-N 3Å; A175-K179 WeakPolarHBondContact O-CD 3.43Å; A175-K179 VanDerWaalsContact O-CG 3.24Å; A175-K179 WeakPolarHBondContact O-CG 3.27Å; A175-K179 PolarHBondContact O-N 2.96Å
176	Q	75.7	Confident	73.8	Confident	118 Å²	118	108.2 Å²	108.2	55%	0.551	52%	0.52	S	S	*	.	H	α-helix	trans	-68.9	-40.4	175.7	-156.2	78.5	-33.6	0	0	112.1	E172 K173 K174 Q180	E172-Q176 WeakPolarHBondContact O-CB 3.27Å; E172-Q176 PolarHBondContact O-N 3.43Å; K173-Q176 PolarHBondContact O-N 2.95Å; K174-Q176 PolarHBondContact O-N 2.88Å; Q176-Q180 PolarHBondContact O-N 2.84Å
177	K	71.9	Confident	72.1	Confident	127 Å²	127	111.5 Å²	111.5	55%	0.552	54%	0.537	S	S	*	.	H	α-helix	trans	-65.4	-42.9	175.9	-174.3	-178.7	-178.9	-179.5	0	111.7	K173 K174 Q180 C181	K173-K177 PolarHBondContact O-N 2.84Å; K173-K177 VanDerWaalsContact O-N 3.1Å; K174-K177 WeakPolarHBondContact O-CB 3.39Å; K174-K177 PolarHBondContact O-N 3.03Å; K174-K177 VanDerWaalsContact O-N 3.08Å; K177-Q180 PolarHBondContact O-N 2.95Å; K177-C181 PolarHBondContact O-N 2.85Å
178	D	66.8	Low	70.1	Confident	89 Å²	89	114.1 Å²	114.1	48%	0.476	55%	0.553	S	S	.	*	H	α-helix	trans	-66.9	-44.8	-178.5	-65.5	-23	0	0	0	111.3	K174 Q180 C181 E182	K174-D178 PolarHBondContact O-N 3.13Å; D178-Q180 VanDerWaalsContact C-N 3.31Å; D178-Q180 PolarHBondContact O-N 3.01Å; D178-C181 WeakPolarHBondContact O-CB 3.44Å; D178-C181 PolarHBondContact O-N 2.88Å; D178-C181 VanDerWaalsContact O-N 3.12Å; D178-E182 PolarHBondContact O-N 2.85Å
179	K	74.1	Confident	68.2	Low	128 Å²	128	111.1 Å²	111.1	56%	0.557	56%	0.559	S	S	*	*	H	α-helix	trans	-57.1	-40.6	172.3	-72.3	167.8	-173.7	172	0	112.9	A175 Q183	A175-K179 WeakPolarHBondContact O-CD 3.43Å; A175-K179 VanDerWaalsContact O-CG 3.24Å; A175-K179 WeakPolarHBondContact O-CG 3.27Å; A175-K179 PolarHBondContact O-N 2.96Å; K179-Q183 WeakPolarHBondContact O-CB 3.27Å; K179-Q183 PolarHBondContact O-N 2.87Å
180	Q	62.1	Low	66.2	Low	147 Å²	147	115.1 Å²	115.1	69%	0.687	58%	0.577	S	S	*	*	H	α-helix	trans	-69	-34.5	178	-174.4	172.7	82.8	0	0	112	Q176 K177 D178 A184	Q176-Q180 PolarHBondContact O-N 2.84Å; K177-Q180 PolarHBondContact O-N 2.95Å; D178-Q180 VanDerWaalsContact C-N 3.31Å; D178-Q180 PolarHBondContact O-N 3.01Å; Q180-A184 PolarHBondContact O-N 2.89Å
181	C	58	Low	64.2	Low	81 Å²	81	119.4 Å²	119.4	55%	0.547	60%	0.595	S	S	.	*	H	α-helix	trans	-66.9	-47.7	174.5	-163.2	0	0	0	0	111.5	K177 D178 Q183 A184 V185	K177-C181 PolarHBondContact O-N 2.85Å; D178-C181 WeakPolarHBondContact O-CB 3.44Å; D178-C181 PolarHBondContact O-N 2.88Å; D178-C181 VanDerWaalsContact O-N 3.12Å; C181-Q183 PolarHBondContact O-N 2.85Å; C181-A184 WeakPolarHBondContact O-CB 3.36Å; C181-A184 PolarHBondContact O-N 3.15Å; C181-V185 PolarHBondContact O-N 2.72Å; C181-V185 VanDerWaalsContact O-N 3.13Å
182	E	57.5	Low	62.6	Low	110 Å²	110	123.5 Å²	123.5	51%	0.514	61%	0.609	S	S	.	*	H	α-helix	trans	-58.6	-47	177	-177.8	174.4	-158	0	0	112	D178 A184 V185 Y186	D178-E182 PolarHBondContact O-N 2.85Å; E182-A184 PolarHBondContact O-N 2.77Å; E182-V185 WeakPolarHBondContact O-CB 3.41Å; E182-V185 PolarHBondContact O-N 3.35Å; E182-Y186 HydrophobicContact CG-CD2 3.87Å; E182-Y186 HydrophobicContact CG-CE2 3.64Å; E182-Y186 WeakPolarHBondContact O-CD2 3.25Å; E182-Y186 PolarHBondContact O-N 2.6Å; E182-Y186 VanDerWaalsContact O-N 3.11Å
183	Q	58.5	Low	60.7	Low	137 Å²	137	127.5 Å²	127.5	64%	0.64	63%	0.625	S	S	*	*	H	α-helix	trans	-63	-29.3	179.1	-161.8	173	52.8	0	0	112.8	K179 C181 Q187	K179-Q183 WeakPolarHBondContact O-CB 3.27Å; K179-Q183 PolarHBondContact O-N 2.87Å; C181-Q183 PolarHBondContact O-N 2.85Å; Q183-Q187 PolarHBondContact O-N 3.22Å
184	A	57.5	Low	58.5	Low	53 Å²	53	126.9 Å²	126.9	44%	0.438	64%	0.636	S	S	.	*	H	α-helix	trans	-73.9	-32	173.2	0	0	0	0	0	113.2	Q180 C181 E182 N188	Q180-A184 PolarHBondContact O-N 2.89Å; C181-A184 WeakPolarHBondContact O-CB 3.36Å; C181-A184 PolarHBondContact O-N 3.15Å; E182-A184 PolarHBondContact O-N 2.77Å; A184-N188 PolarHBondContact O-N 3.37Å
185	V	58.1	Low	56.4	Low	99 Å²	99	128.1 Å²	128.1	60%	0.6	64%	0.644	S	S	*	*	H	α-helix	trans	-66.4	-47.3	173.6	173.8	0	0	0	0	110.5	C181 E182 Q187 N188 G189	C181-V185 PolarHBondContact O-N 2.72Å; C181-V185 VanDerWaalsContact O-N 3.13Å; E182-V185 WeakPolarHBondContact O-CB 3.41Å; E182-V185 PolarHBondContact O-N 3.35Å; V185-Q187 PolarHBondContact O-N 3.22Å; V185-N188 PolarHBondContact O-N 2.6Å; V185-G189 PolarHBondContact O-N 2.86Å; V185-G189 VanDerWaalsContact O-N 3.17Å
186	Y	54.6	Low	54.2	Low	161 Å²	161	134.3 Å²	134.3	63%	0.631	67%	0.666	S	S	*	*	H	α-helix	trans	-63.1	-39.2	-180	-79.4	-72.7	0	0	0	113.4	E182 N188 G189	E182-Y186 HydrophobicContact CG-CD2 3.87Å; E182-Y186 HydrophobicContact CG-CE2 3.64Å; E182-Y186 WeakPolarHBondContact O-CD2 3.25Å; E182-Y186 PolarHBondContact O-N 2.6Å; E182-Y186 VanDerWaalsContact O-N 3.11Å; Y186-N188 PolarHBondContact O-N 3.4Å; Y186-G189 PolarHBondContact O-N 3.09Å
187	Q	52.1	Low	53	Low	154 Å²	154	133.6 Å²	133.6	72%	0.72	67%	0.671	S	S	*	*	H	α-helix	trans	-66.9	-33.1	174.9	-76.1	-157.5	51.1	0	0	113.5	Q183 V185 G189	Q183-Q187 PolarHBondContact O-N 3.22Å; V185-Q187 PolarHBondContact O-N 3.22Å; Q187-G189 VanDerWaalsContact C-N 3.32Å
188	N	48.6	Very low	51.2	Low	130 Å²	130	136.8 Å²	136.8	70%	0.695	69%	0.688	S	S	*	*	H	α-helix	trans	-72.4	-23.6	175.7	-102.5	-43.3	0	0	0	113.4	A184 V185 Y186 H190	A184-N188 PolarHBondContact O-N 3.37Å; V185-N188 PolarHBondContact O-N 2.6Å; Y186-N188 PolarHBondContact O-N 3.4Å; N188-H190 VanDerWaalsContact C-N 3.35Å; N188-H190 PolarHBondContact O-N 2.79Å
189	G	48.2	Very low	50.2	Low	56 Å²	56	141.9 Å²	141.9	58%	0.577	71%	0.706	S	S	*	*	H	α-helix	trans	-63.4	-35.8	176.5	0	0	0	0	0	113.9	V185 Y186 Q187 K191	V185-G189 PolarHBondContact O-N 2.86Å; V185-G189 VanDerWaalsContact O-N 3.17Å; Y186-G189 PolarHBondContact O-N 3.09Å; Q187-G189 VanDerWaalsContact C-N 3.32Å; G189-K191 VanDerWaalsContact C-N 3.33Å; G189-K191 PolarHBondContact O-N 2.71Å
190	H	46.7	Very low	48.3	Very low	179 Å²	179	147.2 Å²	147.2	83%	0.829	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	5.1	-170.6	-92.8	-87.3	0	0	0	116.2	N188	N188-H190 VanDerWaalsContact C-N 3.35Å; N188-H190 PolarHBondContact O-N 2.79Å
191	K	46.4	Very low	47.6	Very low	193 Å²	193	149.3 Å²	149.3	84%	0.839	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.2	28.4	-178.1	-104.3	179.1	179.2	175.1	0	115.7	G189	G189-K191 VanDerWaalsContact C-N 3.33Å; G189-K191 PolarHBondContact O-N 2.71Å
192	K	46.9	Very low	46.4	Very low	195 Å²	195	152.6 Å²	152.6	85%	0.848	74%	0.744	S	S	*	*			trans	-131	67.5	175	-72	-171.1	178.3	176.1	0	115.2
193	K	45.3	Very low	45.6	Very low	213 Å²	213	152 Å²	152	93%	0.926	76%	0.759	S	S	*	*			trans	-138.1	76.5	155.3	-79.9	-165.8	177.3	179.7	0	112.2
194	S	38.1	Very low	44.5	Very low	112 Å²	112	151.5 Å²	151.5	78%	0.783	77%	0.765	S	S	*	*	S	Bend	trans	-154.8	108.6	144.7	-157.5	0	0	0	0	112.3
195	Q	36.1	Very low	43.4	Very low	169 Å²	169	157.8 Å²	157.8	79%	0.79	78%	0.782	S	S	*	*			trans	43.4	136.2	150.6	-61.5	-161.6	5.7	0	0	124.9
196	H	35.8	Very low	41.9	Very low	170 Å²	170	158 Å²	158	79%	0.787	79%	0.787	S	S	*	*			trans	71.9	140.8	154.7	-77.8	-68.9	0	0	0	122
197	P	49	Very low	40.8	Very low	102 Å²	102	158 Å²	158	66%	0.662	79%	0.792	S	S	*	*			trans	-118.7	118.6	-167.6	36.7	-19.2	0	0	0	113.6
198	H	35.5	Very low	40	Very low	194 Å²	194	159.3 Å²	159.3	90%	0.898	80%	0.798	S	S	*	*			trans	-138.1	155.7	163.3	-83.4	-41	0	0	0	113.7
199	K	44.8	Very low	38.9	Very low	197 Å²	197	160.1 Å²	160.1	86%	0.857	80%	0.798	S	S	*	*			trans	-49.7	135.7	-171.2	-59.8	171.2	178.9	176.5	0	112.9
200	R	34.6	Very low	38.3	Very low	240 Å²	240	163.3 Å²	163.3	91%	0.906	81%	0.809	S	S	*	*				-159.6	126.5	125.1	-108.3	156.6	-170.5	-164.4	0.4	111.6
201	Q	47	Very low	37.6	Very low	190 Å²	190	162.8 Å²	162.8	89%	0.888	80%	0.804	S	S	*	*			trans	-65.7	132.6	154	-69	162.2	-43.5	0	0	107.3
202	N	33.2	Very low	37.1	Very low	150 Å²	150	160.7 Å²	160.7	80%	0.802	80%	0.797	S	S	*	*			trans	-160.3	118.8	147.9	-112.4	-11.3	0	0	0	108.4	V204	N202-V204 PolarHBondContact O-N 2.98Å; N202-V204 VanDerWaalsContact O-N 3.08Å
203	A	40.5	Very low	36.7	Very low	99 Å²	99	157.6 Å²	157.6	82%	0.818	79%	0.786	S	S	*	*			trans	-74.1	99.5	175.8	0	0	0	0	0	108.8	K205	A203-K205 PolarHBondContact O-N 3.47Å
204	V	35.3	Very low	36.2	Very low	126 Å²	126	154.8 Å²	154.8	76%	0.764	78%	0.776	S	S	*	*			trans	-69.6	89.7	169.9	-179	0	0	0	0	107.7	N202 C206	N202-V204 PolarHBondContact O-N 2.98Å; N202-V204 VanDerWaalsContact O-N 3.08Å; V204-C206 PolarHBondContact O-N 2.81Å
205	K	35.4	Very low	36.4	Very low	185 Å²	185	153.8 Å²	153.8	80%	0.804	77%	0.765	S	S	*	*			trans	-70.6	80.5	177.7	-171.9	177	-176.6	177.9	0	109.1	A203 Q207	A203-K205 PolarHBondContact O-N 3.47Å; K205-Q207 PolarHBondContact O-N 3.42Å
206	C	25.8	Very low	36.5	Very low	103 Å²	103	148 Å²	148	70%	0.696	75%	0.746	S	S	*	*			trans	-57.1	105.4	170	-74.3	0	0	0	0	109	V204 Q208	V204-C206 PolarHBondContact O-N 2.81Å; C206-Q208 VanDerWaalsContact C-N 3.34Å; C206-Q208 PolarHBondContact O-N 2.95Å
207	Q	32.1	Very low	36.6	Very low	160 Å²	160	143.3 Å²	143.3	75%	0.748	73%	0.727	S	S	*	*			trans	-71.3	92.2	172.2	-64.9	-176	12.4	0	0	108.5	K205 Q209	K205-Q207 PolarHBondContact O-N 3.42Å; Q207-Q209 PolarHBondContact O-N 3.33Å
208	Q	34	Very low	36.4	Very low	182 Å²	182	144.4 Å²	144.4	85%	0.85	73%	0.727	S	S	*	*			trans	-66.1	110.5	158.1	-65.6	-177.4	5.1	0	0	106.7	C206 P210	C206-Q208 VanDerWaalsContact C-N 3.34Å; C206-Q208 PolarHBondContact O-N 2.95Å; Q208-P210 WeakPolarHBondContact O-CD 3.18Å
209	Q	26.8	Very low	36.8	Very low	147 Å²	147	139.2 Å²	139.2	69%	0.687	70%	0.704	S	S	*	*			trans	-76.1	120.5	174.1	-71.3	-173.6	-7.3	0	0	109.1	Q207 K211	Q207-Q209 PolarHBondContact O-N 3.33Å; Q209-K211 PolarHBondContact O-N 3.17Å
210	P	35.9	Very low	36.6	Very low	124 Å²	124	134.2 Å²	134.2	81%	0.805	69%	0.687	S	S	*	*			trans	-75.4	90.5	175.2	30.8	-33	0	0	0	109.5	Q208	Q208-P210 WeakPolarHBondContact O-CD 3.18Å
211	K	30.5	Very low	37.3	Very low	167 Å²	167	128.4 Å²	128.4	73%	0.726	67%	0.673	S	S	*	*			trans	-137.8	16.2	174.8	-78.2	-160.3	170.1	-167.9	0	114.4	Q209	Q209-K211 PolarHBondContact O-N 3.17Å
212	Q	36.6	Very low	37.4	Very low	149 Å²	149	122 Å²	122	70%	0.696	65%	0.646	S	S	*	*	S	Bend	trans	-115.3	-10.2	175.2	-68	-163.7	-34.5	0	0	114.4	A216	Q212-A216 PolarHBondContact O-N 3.04Å
213	Q	38.4	Very low	38.3	Very low	130 Å²	130	116.2 Å²	116.2	61%	0.607	61%	0.614	S	S	*	*	H	α-helix	trans	-71	-54.3	179.7	-163	63.9	51.9	0	0	111.5	V215 A216 D217	Q213-V215 PolarHBondContact O-N 3.26Å; Q213-A216 WeakPolarHBondContact O-CA 3.29Å; Q213-A216 WeakPolarHBondContact O-CB 3.35Å; Q213-A216 PolarHBondContact O-N 2.94Å; Q213-D217 PolarHBondContact NE2-OD1 2.9Å; Q213-D217 PolarHBondContact O-N 3.38Å
214	E	34.8	Very low	38.6	Very low	154 Å²	154	115.7 Å²	115.7	72%	0.72	60%	0.598	S	S	*	*	H	α-helix	trans	-56.1	-25.9	-179	-169.4	179.1	175.8	0	0	114.1	L218	E214-L218 WeakPolarHBondContact O-CB 3.15Å
215	V	42.7	Very low	39.6	Very low	92 Å²	92	112.4 Å²	112.4	56%	0.558	58%	0.576	S	S	*	*	H	α-helix	trans	-87.4	-28	176.6	-173.7	0	0	0	0	112.2	Q213 I219	Q213-V215 PolarHBondContact O-N 3.26Å; V215-I219 HydrophobicContact CG1-CD1 4.35Å; V215-I219 WeakPolarHBondContact O-CD1 3.39Å; V215-I219 VanDerWaalsContact O-CG1 3.28Å; V215-I219 WeakPolarHBondContact O-CG1 3.33Å
216	A	37.4	Very low	40.3	Very low	48 Å²	48	105.2 Å²	105.2	40%	0.397	55%	0.547	S	S	.	.	H	α-helix	trans	-71.6	-50.7	172	0	0	0	0	0	110.2	Q212 Q213 L218 I219 D220	Q212-A216 PolarHBondContact O-N 3.04Å; Q213-A216 WeakPolarHBondContact O-CA 3.29Å; Q213-A216 WeakPolarHBondContact O-CB 3.35Å; Q213-A216 PolarHBondContact O-N 2.94Å; A216-L218 VanDerWaalsContact C-N 3.29Å; A216-L218 PolarHBondContact O-N 3.48Å; A216-I219 WeakPolarHBondContact O-CA 3.48Å; A216-I219 WeakPolarHBondContact O-CB 3.33Å; A216-I219 PolarHBondContact O-N 2.79Å; A216-D220 PolarHBondContact O-N 2.96Å
217	D	39	Very low	41.4	Very low	71 Å²	71	102.6 Å²	102.6	38%	0.38	53%	0.528	S	S	.	.	H	α-helix	trans	-58.6	-39.4	-177.2	-51.7	-14.3	0	0	0	111.6	Q213 I219 D220 L221	Q213-D217 PolarHBondContact NE2-OD1 2.9Å; Q213-D217 PolarHBondContact O-N 3.38Å; D217-I219 VanDerWaalsContact C-N 3.28Å; D217-I219 PolarHBondContact O-N 2.77Å; D217-D220 PolarHBondContact O-N 3.5Å; D217-L221 WeakPolarHBondContact O-CD1 3.49Å; D217-L221 PolarHBondContact O-N 2.89Å; D217-L221 VanDerWaalsContact O-N 3.15Å
218	L	44.5	Very low	42.4	Very low	125 Å²	125	99 Å²	99	65%	0.654	51%	0.511	S	S	*	.	H	α-helix	trans	-69.7	-17.7	175.1	-102	163.7	0	0	0	114.8	E214 A216	E214-L218 WeakPolarHBondContact O-CB 3.15Å; A216-L218 VanDerWaalsContact C-N 3.29Å; A216-L218 PolarHBondContact O-N 3.48Å
219	I	44.3	Very low	43.3	Very low	84 Å²	84	91 Å²	91	43%	0.431	47%	0.474	S	S	.	.	H	α-helix	trans	-91	-37.3	173.5	-68.6	171.4	0	0	0	110	V215 A216 D217 N222 L223	V215-I219 HydrophobicContact CG1-CD1 4.35Å; V215-I219 WeakPolarHBondContact O-CD1 3.39Å; V215-I219 VanDerWaalsContact O-CG1 3.28Å; V215-I219 WeakPolarHBondContact O-CG1 3.33Å; A216-I219 WeakPolarHBondContact O-CA 3.48Å; A216-I219 WeakPolarHBondContact O-CB 3.33Å; A216-I219 PolarHBondContact O-N 2.79Å; D217-I219 VanDerWaalsContact C-N 3.28Å; D217-I219 PolarHBondContact O-N 2.77Å; I219-N222 CarbonylContact O-C 3.46Å; I219-N222 WeakPolarHBondContact O-CA 3.4Å; I219-N222 WeakPolarHBondContact O-CB 3.38Å; I219-N222 PolarHBondContact O-N 3.42Å; I219-N222 VanDerWaalsContact O-N 3.1Å; I219-L223 PolarHBondContact O-N 3.01Å
220	D	39.4	Very low	44.6	Very low	93 Å²	93	85.2 Å²	85.2	50%	0.497	45%	0.448	S	S	.	.	H	α-helix	trans	-59	-51.2	177.3	-142.7	30.7	0	0	0	110.8	A216 D217 N222 L223 D224	A216-D220 PolarHBondContact O-N 2.96Å; D217-D220 PolarHBondContact O-N 3.5Å; D220-N222 PolarHBondContact O-N 3.38Å; D220-N222 VanDerWaalsContact O-N 3.13Å; D220-L223 CarbonylContact O-C 3.5Å; D220-L223 WeakPolarHBondContact O-CA 3.45Å; D220-L223 WeakPolarHBondContact O-CB 3.44Å; D220-L223 PolarHBondContact O-N 3.36Å; D220-D224 PolarHBondContact O-N 3.35Å
221	L	50	Low	44.9	Very low	117 Å²	117	82.9 Å²	82.9	61%	0.613	44%	0.435	S	S	*	.	H	α-helix	trans	-57	-32	174.1	-89.8	81.7	0	0	0	113.4	D217 L225	D217-L221 WeakPolarHBondContact O-CD1 3.49Å; D217-L221 PolarHBondContact O-N 2.89Å; D217-L221 VanDerWaalsContact O-N 3.15Å; L221-L225 WeakPolarHBondContact O-CB 3.34Å; L221-L225 PolarHBondContact O-N 2.85Å
222	N	48.8	Very low	45.9	Very low	57 Å²	57	78 Å²	78	31%	0.305	41%	0.414	S	S	.	.	H	α-helix	trans	-82.4	-17	-180	-161.5	-8	0	0	0	112	I219 D220 V226	I219-N222 CarbonylContact O-C 3.46Å; I219-N222 WeakPolarHBondContact O-CA 3.4Å; I219-N222 WeakPolarHBondContact O-CB 3.38Å; I219-N222 PolarHBondContact O-N 3.42Å; I219-N222 VanDerWaalsContact O-N 3.1Å; D220-N222 PolarHBondContact O-N 3.38Å; D220-N222 VanDerWaalsContact O-N 3.13Å; N222-V226 WeakPolarHBondContact O-CG2 3.25Å
223	L	51.3	Low	46.7	Very low	27 Å²	27	72.2 Å²	72.2	14%	0.141	39%	0.388	C	S	.	.	H	α-helix	trans	-87.3	-41.3	170.8	-167	65.4	0	0	0	110.5	Y163 I219 D220 V226 T227	Y163-L223 HydrophobicContact CD2-CD1 3.61Å; Y163-L223 HydrophobicContact CD2-CG 4.42Å; Y163-L223 HydrophobicContact CE2-CD1 3.48Å; Y163-L223 VanDerWaalsContact CE2-CD1 3.48Å; Y163-L223 HydrophobicContact CE2-CG 3.85Å; I219-L223 PolarHBondContact O-N 3.01Å; D220-L223 CarbonylContact O-C 3.5Å; D220-L223 WeakPolarHBondContact O-CA 3.45Å; D220-L223 WeakPolarHBondContact O-CB 3.44Å; D220-L223 PolarHBondContact O-N 3.36Å; L223-V226 PolarHBondContact O-N 3.33Å; L223-T227 WeakPolarHBondContact O-CB 3.47Å; L223-T227 PolarHBondContact O-N 2.88Å; L223-T227 PolarHBondContact O-OG1 3.47Å
224	D	48.1	Very low	47.2	Very low	88 Å²	88	71.8 Å²	71.8	47%	0.471	39%	0.386	S	S	.	.	H	α-helix	trans	-61.2	-45.7	173.8	-86.7	-18	0	0	0	112.3	D220 V226 T227 E228	D220-D224 PolarHBondContact O-N 3.35Å; D224-V226 PolarHBondContact O-N 2.86Å; D224-T227 PolarHBondContact O-N 2.89Å; D224-E228 PolarHBondContact O-N 3.08Å
225	L	55.2	Low	47.8	Very low	58 Å²	58	70.3 Å²	70.3	30%	0.304	38%	0.382	S	S	.	.	H	α-helix	trans	-58.2	-32.5	177.4	-177.1	64	0	0	0	112.7	L221 N229	L221-L225 WeakPolarHBondContact O-CB 3.34Å; L221-L225 PolarHBondContact O-N 2.85Å; L225-N229 PolarHBondContact O-ND2 3.33Å
226	V	50.4	Low	48.2	Very low	33 Å²	33	71.9 Å²	71.9	20%	0.2	38%	0.381	C	S	.	.	H	α-helix	trans	-78	-39.1	174.3	175	0	0	0	0	111	Y163 N222 L223 D224 N229 I230	Y163-V226 HydrophobicContact CD2-CG1 4.09Å; N222-V226 WeakPolarHBondContact O-CG2 3.25Å; L223-V226 PolarHBondContact O-N 3.33Å; D224-V226 PolarHBondContact O-N 2.86Å; V226-N229 WeakPolarHBondContact O-CB 3.38Å; V226-N229 PolarHBondContact O-N 3.2Å; V226-I230 HydrophobicContact CG1-CD1 3.93Å; V226-I230 WeakPolarHBondContact O-CG1 3.28Å; V226-I230 PolarHBondContact O-N 2.79Å; V226-I230 VanDerWaalsContact O-N 3.08Å
227	T	49.1	Very low	48.5	Very low	49 Å²	49	72.6 Å²	72.6	30%	0.301	39%	0.393	S	S	.	.	H	α-helix	trans	-66.2	-44.7	179.3	-52.3	0	0	0	0	111.9	Y163 L223 D224 N229 I230 S231	Y163-T227 WeakPolarHBondContact CE2-OG1 3.39Å; L223-T227 WeakPolarHBondContact O-CB 3.47Å; L223-T227 PolarHBondContact O-N 2.88Å; L223-T227 PolarHBondContact O-OG1 3.47Å; D224-T227 PolarHBondContact O-N 2.89Å; T227-N229 VanDerWaalsContact C-N 3.26Å; T227-N229 PolarHBondContact O-N 2.79Å; T227-I230 PolarHBondContact O-N 3.05Å; T227-S231 PolarHBondContact O-N 3.45Å
228	E	53.6	Low	48.4	Very low	84 Å²	84	75.9 Å²	75.9	39%	0.393	41%	0.411	S	S	.	.	H	α-helix	trans	-60.7	-34.1	173.8	-76.2	-153.2	99.1	0	0	112.6	R57 D224 Q232	R57-E228 VanDerWaalsContact CZ-CD 3.46Å; R57-E228 IonicContact CZ-OE1 3.23Å; R57-E228 IonicContact CZ-OE2 2.71Å; R57-E228 IonicContact NE-OE2 2.79Å; R57-E228 IonicContact NH1-OE1 2.68Å; R57-E228 PolarHBondContact NH1-OE1 3.24Å; R57-E228 IonicContact NH1-OE2 2.79Å; R57-E228 PolarHBondContact NH1-OE2 3.43Å; R57-E228 IonicContact NH2-OE1 2.95Å; R57-E228 PolarHBondContact NH2-OE1 3.49Å; R57-E228 IonicContact NH2-OE2 3.78Å; R57-E228 PolarHBondContact NH2-OE2 2.82Å; D224-E228 PolarHBondContact O-N 3.08Å; E228-Q232 PolarHBondContact O-N 3.27Å
229	N	52.2	Low	48.2	Very low	14 Å²	14	77.7 Å²	77.7	8%	0.075	42%	0.418	C	S	.	.	H	α-helix	trans	-66.4	-48.2	174.9	-99	-89.5	0	0	0	111.7	S115 Y116 L225 V226 T227 S231 Q232 L233	S115-N229 PolarHBondContact O-ND2 3.37Å; S115-N229 PolarHBondContact O-OD1 3.4Å; Y116-N229 WeakPolarHBondContact CA-OD1 3.39Å; L225-N229 PolarHBondContact O-ND2 3.33Å; V226-N229 WeakPolarHBondContact O-CB 3.38Å; V226-N229 PolarHBondContact O-N 3.2Å; T227-N229 VanDerWaalsContact C-N 3.26Å; T227-N229 PolarHBondContact O-N 2.79Å; N229-S231 PolarHBondContact O-N 3.43Å; N229-Q232 PolarHBondContact O-N 3.12Å; N229-L233 WeakPolarHBondContact O-CD1 3.26Å; N229-L233 PolarHBondContact O-N 3.13Å
230	I	53.8	Low	48	Very low	25 Å²	25	79.1 Å²	79.1	13%	0.128	44%	0.435	C	S	.	.	H	α-helix	trans	-61.5	-45.7	-178.6	-70.5	166.3	0	0	0	110.6	Q160 Y163 V226 T227 Q232 L233	Q160-I230 VanDerWaalsContact OE1-CG2 3.26Å; Y163-I230 HydrophobicContact CD2-CD1 4.48Å; Y163-I230 HydrophobicContact CG-CD1 4.14Å; V226-I230 HydrophobicContact CG1-CD1 3.93Å; V226-I230 WeakPolarHBondContact O-CG1 3.28Å; V226-I230 PolarHBondContact O-N 2.79Å; V226-I230 VanDerWaalsContact O-N 3.08Å; T227-I230 PolarHBondContact O-N 3.05Å; I230-Q232 PolarHBondContact O-N 3.12Å; I230-L233 PolarHBondContact O-N 3.45Å; I230-L233 VanDerWaalsContact O-N 3.15Å
231	S	42.4	Very low	48.3	Very low	76 Å²	76	80.1 Å²	80.1	53%	0.531	45%	0.445	S	S	.	.	H	α-helix	trans	-57	-43.2	-178.8	-177.2	0	0	0	0	113.2	T227 N229 L233 E234	T227-S231 PolarHBondContact O-N 3.45Å; N229-S231 PolarHBondContact O-N 3.43Å; S231-L233 VanDerWaalsContact C-N 3.34Å; S231-L233 PolarHBondContact O-N 3.49Å; S231-E234 WeakPolarHBondContact O-CB 3.27Å; S231-E234 PolarHBondContact O-N 2.87Å
232	Q	52	Low	47.6	Very low	64 Å²	64	80.1 Å²	80.1	30%	0.299	45%	0.452	S	S	.	.	H	α-helix	trans	-74.1	-22.2	-179.5	-64.9	-175.4	13.2	0	0	113.6	E228 N229 I230 E234	E228-Q232 PolarHBondContact O-N 3.27Å; N229-Q232 PolarHBondContact O-N 3.12Å; I230-Q232 PolarHBondContact O-N 3.12Å; Q232-E234 VanDerWaalsContact C-N 3.26Å; Q232-E234 PolarHBondContact O-N 3.04Å
233	L	52.8	Low	47.4	Very low	28 Å²	28	83.4 Å²	83.4	15%	0.147	48%	0.476	C	S	.	.	H	α-helix	trans	-76.2	-11.6	175	-97.6	70.1	0	0	0	113.5	R156 N229 I230 S231	R156-L233 HydrophobicContact CB-CD2 4Å; R156-L233 HydrophobicContact CG-CD2 4.11Å; R156-L233 PolarHBondContact NH1-O 3.26Å; N229-L233 WeakPolarHBondContact O-CD1 3.26Å; N229-L233 PolarHBondContact O-N 3.13Å; I230-L233 PolarHBondContact O-N 3.45Å; I230-L233 VanDerWaalsContact O-N 3.15Å; S231-L233 VanDerWaalsContact C-N 3.34Å; S231-L233 PolarHBondContact O-N 3.49Å
234	E	49.5	Very low	46.3	Very low	121 Å²	121	89.7 Å²	89.7	57%	0.565	51%	0.51	S	S	*	.	H	α-helix	trans	-78.1	-34.2	175.9	-161.2	114.7	-92.6	0	0	112.4	R156 S231 Q232 F236 G237	R156-E234 IonicContact CZ-OE1 3.11Å; R156-E234 IonicContact NH2-OE1 3.22Å; R156-E234 PolarHBondContact NH2-OE1 3.15Å; S231-E234 WeakPolarHBondContact O-CB 3.27Å; S231-E234 PolarHBondContact O-N 2.87Å; Q232-E234 VanDerWaalsContact C-N 3.26Å; Q232-E234 PolarHBondContact O-N 3.04Å; E234-F236 PolarHBondContact O-N 2.98Å; E234-G237 PolarHBondContact O-N 2.94Å
235	I	48.2	Very low	46.2	Very low	123 Å²	123	92.7 Å²	92.7	63%	0.631	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-56.9	-27.7	-175.8	-66.6	174.1	0	0	0	112.8	G237	I235-G237 PolarHBondContact O-N 3.12Å
236	F	50.6	Low	45.2	Very low	125 Å²	125	96.3 Å²	96.3	55%	0.548	55%	0.549	S	S	.	.	G	3₁₀ helix	trans	-74.7	-2.6	177.8	-64.8	-81.7	0	0	0	114.5	E234	E234-F236 PolarHBondContact O-N 2.98Å
237	G	43.4	Very low	44.2	Very low	62 Å²	62	100.5 Å²	100.5	64%	0.639	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-74.9	-32.6	179.2	0	0	0	0	0	114.9	E234 I235	E234-G237 PolarHBondContact O-N 2.94Å; I235-G237 PolarHBondContact O-N 3.12Å
238	D	35.9	Very low	43.9	Very low	141 Å²	141	104.1 Å²	104.1	75%	0.754	60%	0.604	S	S	*	*			trans	-102.9	11.8	-158.2	-117.5	-7.9	0	0	0	115.6	S240	D238-S240 PolarHBondContact O-N 3.44Å
239	M	41.2	Very low	42.9	Very low	163 Å²	163	106 Å²	106	80%	0.803	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	35.6	-177.9	-67.2	-168.6	68.9	0	0	115
240	S	39.4	Very low	42	Very low	114 Å²	114	111.9 Å²	111.9	80%	0.797	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.6	-2.8	178.3	-63.7	0	0	0	0	114.6	D238	D238-S240 PolarHBondContact O-N 3.44Å
241	T	45.9	Very low	41.3	Very low	114 Å²	114	116.4 Å²	116.4	70%	0.699	69%	0.694	S	S	*	*	S	Bend	trans	-124.1	136.3	173.7	47.3	0	0	0	0	110.9
242	P	36.8	Very low	40.7	Very low	116 Å²	116	117.4 Å²	117.4	75%	0.753	71%	0.707	S	S	*	*			trans	-71	148.5	173.3	30.7	-34.1	0	0	0	110.5	D244	P242-D244 PolarHBondContact O-N 2.79Å; P242-D244 VanDerWaalsContact O-N 3.11Å
243	P	42.7	Very low	39.7	Very low	126 Å²	126	120.1 Å²	120.1	82%	0.818	73%	0.733	S	S	*	*			trans	-71.7	106.7	177.3	29.1	-33.5	0	0	0	110.2
244	D	29.7	Very low	39	Very low	160 Å²	160	124.6 Å²	124.6	86%	0.856	76%	0.764	S	S	*	*			trans	-74.6	140.9	174.4	-146.4	-18.4	0	0	0	110.5	P242 T246	P242-D244 PolarHBondContact O-N 2.79Å; P242-D244 VanDerWaalsContact O-N 3.11Å; D244-T246 PolarHBondContact O-N 2.61Å
245	I	45.2	Very low	38.1	Very low	151 Å²	151	123 Å²	123	77%	0.774	77%	0.771	S	S	*	*			trans	-91.4	105	-169.5	80.9	179.7	0	0	0	110.6
246	T	35	Very low	37.4	Very low	134 Å²	134	124.3 Å²	124.3	82%	0.822	78%	0.78	S	S	*	*			trans	179.7	103.2	150.6	17.6	0	0	0	0	113.1	D244	D244-T246 PolarHBondContact O-N 2.61Å
247	S	29.8	Very low	36.5	Very low	120 Å²	120	123.8 Å²	123.8	84%	0.839	79%	0.787	S	S	*	*			trans	175.7	134.3	134.8	-81.7	0	0	0	0	111
248	P	42.1	Very low	36	Very low	126 Å²	126	129.2 Å²	129.2	82%	0.818	80%	0.8	S	S	*	*			trans	-90.4	157.9	179.7	36.1	-34.9	0	0	0	113.5
249	S	32.3	Very low	35.8	Very low	122 Å²	122	129.7 Å²	129.7	85%	0.853	80%	0.803	S	S	*	*			trans	-77.6	145.1	178.7	-46.1	0	0	0	0	113.7
250	T	33.7	Very low	36.1	Very low	138 Å²	138	126.6 Å²	126.6	85%	0.847	80%	0.795	S	S	*	*			trans	-108.5	117.6	175.8	-45.4	0	0	0	0	111.7
251	P	39.4	Very low	35.7	Very low	120 Å²	120	126.5 Å²	126.5	78%	0.779	79%	0.794	S	S	*	*			trans	-85.7	145.4	164.8	33.9	-31.7	0	0	0	111.1
252	A	29.9	Very low	35.1	Very low	98 Å²	98	130.4 Å²	130.4	81%	0.81	81%	0.805	S	S	*	*			trans	-92.7	136.1	-178.3	0	0	0	0	0	112.9
253	S	29.6	Very low	34.6	Very low	120 Å²	120	128.3 Å²	128.3	84%	0.839	80%	0.804	S	S	*	*			trans	-160.2	155.5	159.7	-83.3	0	0	0	0	110.5
254	P	39.5	Very low	34.1	Very low	123 Å²	123	131 Å²	131	80%	0.799	81%	0.81	S	S	*	*			trans	-96	142.5	-152.8	35.1	-35.9	0	0	0	116.7
255	A	30.3	Very low	34	Very low	87 Å²	87	132 Å²	132	72%	0.719	81%	0.81	S	S	*	*			trans	34	117.1	144.6	0	0	0	0	0	120.9
256	N	33	Very low	34.1	Very low	150 Å²	150	129.8 Å²	129.8	80%	0.802	81%	0.805	S	S	*	*				-165.6	135.7	114	-106	-27.4	0	0	0	115.4
257	T	32.2	Very low	34.5	Very low	114 Å²	114	128.7 Å²	128.7	70%	0.699	80%	0.8	S	S	*	*			trans	53.2	127.6	144.5	59.6	0	0	0	0	123.6
258	L	32.6	Very low	34.5	Very low	177 Å²	177	129 Å²	129	93%	0.927	80%	0.797	S	S	*	*			trans	91.5	158.7	146.8	-67.1	163.9	0	0	0	120.1
259	D	32.1	Very low	34	Very low	151 Å²	151	130.2 Å²	130.2	81%	0.807	79%	0.792	S	S	*	*			trans	-112.9	-165.9	-153.3	-150	17.1	0	0	0	111.2
260	P	47.7	Very low	34	Very low	97 Å²	97	132 Å²	132	63%	0.63	79%	0.791	S	S	*	*				-120.5	162.9	-123.3	36.5	-17	0	0	0	115.2
261	S	31.1	Very low	33.9	Very low	113 Å²	113	134 Å²	134	79%	0.79	79%	0.788	S	S	*	*			trans	-174.2	131.1	144.8	-88	0	0	0	0	114.8
262	Q	32.3	Very low	33.7	Very low	196 Å²	196	132.3 Å²	132.3	92%	0.916	79%	0.785	S	S	*	*			trans	25.1	134.7	138.3	-49	-179.3	11.4	0	0	121.1
263	G	27.5	Very low	34.1	Very low	71 Å²	71	133.1 Å²	133.1	73%	0.732	78%	0.782	S	S	*	*			trans	148.1	80.9	136.4	0	0	0	0	0	122.1
264	L	31.1	Very low	34	Very low	183 Å²	183	137.2 Å²	137.2	96%	0.958	79%	0.785	S	S	*	*			trans	64.2	178.5	138.6	-61.5	167.9	0	0	0	121
265	Q	27.2	Very low	33.9	Very low	182 Å²	182	137.7 Å²	137.7	85%	0.85	78%	0.781	S	S	*	*			trans	-126.5	-169.6	-169	-51.9	-147.2	-21.2	0	0	111.8
266	P	47.7	Very low	34.3	Very low	104 Å²	104	139.4 Å²	139.4	68%	0.675	78%	0.784	S	S	*	*			cis	-132	-33.6	-14.3	41.6	-34.8	0	0	0	125.4
267	P	43	Very low	34.3	Very low	110 Å²	110	136.5 Å²	136.5	71%	0.714	78%	0.782	S	S	*	*			trans	-90.3	153.7	-135.7	25.6	-10.6	0	0	0	114.6
268	T	29.6	Very low	34.2	Very low	126 Å²	126	137.1 Å²	137.1	77%	0.773	79%	0.79	S	S	*	*			cis	88.7	122.5	33	-53.6	0	0	0	0	115.1
269	E	32.9	Very low	34.7	Very low	152 Å²	152	135.2 Å²	135.2	71%	0.71	79%	0.786	S	S	*	*			trans	65.7	126.7	167.5	-78.9	-67.9	127.4	0	0	120.5
270	L	32.8	Very low	35.5	Very low	160 Å²	160	133.9 Å²	133.9	84%	0.838	79%	0.785	S	S	*	*			trans	-174.7	103.8	133.2	-104.7	160.2	0	0	0	114.2
271	F	30.6	Very low	34.9	Very low	179 Å²	179	135.3 Å²	135.3	79%	0.785	80%	0.798	S	S	*	*			trans	35.5	130.7	140.5	-76.9	-105.9	0	0	0	123
272	A	34.3	Very low	34.9	Very low	86 Å²	86	133 Å²	133	71%	0.711	79%	0.791	S	S	*	*			trans	-79.3	162.2	152.7	0	0	0	0	0	111.3
273	P	39.4	Very low	34.9	Very low	114 Å²	114	134.3 Å²	134.3	74%	0.74	79%	0.789	S	S	*	*				-154.2	165.3	96.9	39.8	-22.4	0	0	0	117.9
274	F	28.1	Very low	35.5	Very low	207 Å²	207	136.3 Å²	136.3	91%	0.908	79%	0.787	S	S	*	*			trans	69.5	153.9	153.4	-102.6	-100	0	0	0	121.6
275	N	37	Very low	36	Very low	132 Å²	132	133 Å²	133	71%	0.706	78%	0.775	S	S	*	*			trans	-146	134.7	179.8	177.8	11.4	0	0	0	107.5
276	P	38.5	Very low	36.4	Very low	123 Å²	123	132.4 Å²	132.4	80%	0.799	77%	0.774	S	S	*	*				-141.4	160.3	116.4	37	-23.3	0	0	0	114.2
277	A	31.9	Very low	35.7	Very low	90 Å²	90	130.8 Å²	130.8	74%	0.744	78%	0.777	S	S	*	*			trans	-83.7	160.9	-172	0	0	0	0	0	115.3
278	S	31.2	Very low	35.1	Very low	126 Å²	126	130.5 Å²	130.5	88%	0.881	78%	0.783	S	S	*	*			trans	-156.4	140.1	151.9	-80.5	0	0	0	0	112.1
279	V	42.4	Very low	35.3	Very low	138 Å²	138	131 Å²	131	84%	0.836	79%	0.786	S	S	*	*			trans	-114.7	171.1	167.9	-65.5	0	0	0	0	107.9
280	P	48.8	Very low	36	Very low	122 Å²	122	128.9 Å²	128.9	79%	0.792	79%	0.785	S	S	*	*				-158.6	166.4	93.3	40.5	-21.7	0	0	0	117.4
281	S	35.2	Very low	36.2	Very low	128 Å²	128	127.7 Å²	127.7	90%	0.895	79%	0.787	S	S	*	*				149.9	123.8	125.1	-168	0	0	0	0	111.8
282	G	30.8	Very low	36.4	Very low	63 Å²	63	122.2 Å²	122.2	65%	0.649	78%	0.782	S	S	*	*			cis	172.6	160.8	-8.3	0	0	0	0	0	113.7
283	Y	33	Very low	36.2	Very low	224 Å²	224	127.9 Å²	127.9	88%	0.878	79%	0.793	S	S	*	*			trans	63.9	131.7	161.7	-98.3	-131.2	0	0	0	118.5
284	V	39.8	Very low	35.6	Very low	114 Å²	114	134.8 Å²	134.8	69%	0.691	80%	0.804	S	S	*	*			cis	-171.7	174	-12.3	-104.4	0	0	0	0	105.5
285	T	41.3	Very low	35.8	Very low	113 Å²	113	130 Å²	130	69%	0.693	80%	0.796	S	S	*	*			cis	-170.3	156.7	-12.1	-179.1	0	0	0	0	104.8
286	M	36.9	Very low	35.5	Very low	169 Å²	169	131.8 Å²	131.8	83%	0.833	80%	0.801	S	S	*	*			cis	-148.9	-172.6	49.1	-79.2	-70.6	-71.6	0	0	111.7
287	G	31.6	Very low	35.3	Very low	71 Å²	71	134.3 Å²	134.3	73%	0.732	80%	0.802	S	S	*	*			trans	-77.6	-172.8	167.7	0	0	0	0	0	115
288	A	31	Very low	35.1	Very low	103 Å²	103	134.9 Å²	134.9	85%	0.851	81%	0.806	S	S	*	*			cis	-142.2	-173	19.4	0	0	0	0	0	115.2
289	V	34.7	Very low	35	Very low	136 Å²	136	139 Å²	139	82%	0.824	81%	0.809	S	S	*	*			trans	-149.2	159.8	-158.9	164.3	0	0	0	0	107.3
290	P	46.7	Very low	34.4	Very low	109 Å²	109	137 Å²	137	71%	0.708	81%	0.806	S	S	*	*			cis	-120.4	-166	0.7	34.7	-14.2	0	0	0	113.5
291	P	37.9	Very low	33.4	Very low	134 Å²	134	135 Å²	135	87%	0.87	80%	0.801	S	S	*	*				-129.8	171.9	98.7	39.5	-34.4	0	0	0	113.2
292	G	33.6	Very low	33.3	Very low	65 Å²	65	138.2 Å²	138.2	67%	0.67	80%	0.801	S	S	*	*			trans	-171.3	178.7	176.1	0	0	0	0	0	116.1
293	H	31.2	Very low	33.3	Very low	204 Å²	204	141.2 Å²	141.2	94%	0.944	81%	0.807	S	S	*	*			trans	77.3	138.7	173.3	-69	-147.5	0	0	0	117.2
294	W	26.7	Very low	33.9	Very low	260 Å²	260	135.5 Å²	135.5	99%	0.985	80%	0.798	S	S	*	*			trans	-150.1	117.7	-174	-171.4	4	0	0	0	108.3
295	S	31.4	Very low	33.7	Very low	106 Å²	106	138 Å²	138	74%	0.741	81%	0.806	S	S	*	*			trans	-158.4	135.7	175.6	53	0	0	0	0	114.2
296	Q	32.1	Very low	33.2	Very low	170 Å²	170	136.3 Å²	136.3	79%	0.794	80%	0.804	S	S	*	*			trans	53.6	129.1	158.2	-56.8	-143.2	90.6	0	0	122.8
297	Q	33.3	Very low	32.7	Very low	176 Å²	176	138.3 Å²	138.3	82%	0.822	81%	0.808	S	S	*	*			trans	19.5	142.7	134.1	-51.3	-172.9	-18.4	0	0	119.4
298	A	28.6	Very low	32.7	Very low	101 Å²	101	138.2 Å²	138.2	84%	0.835	81%	0.807	S	S	*	*			cis	-161.4	-153.3	42.2	0	0	0	0	0	114.7
299	F	29.1	Very low	32.8	Very low	213 Å²	213	140.2 Å²	140.2	93%	0.934	81%	0.808	S	S	*	*			trans	-83.4	174.1	-167.4	-109.4	-107.1	0	0	0	116.4
300	A	28.6	Very low	32.8	Very low	95 Å²	95	141.9 Å²	141.9	79%	0.785	81%	0.807	S	S	*	*			trans	84.6	149.9	162.7	0	0	0	0	0	118
301	A	29	Very low	32.1	Very low	82 Å²	82	141 Å²	141	68%	0.678	80%	0.804	S	S	*	*			cis	-168	167.8	-24.6	0	0	0	0	0	111.4
302	Q	32.1	Very low	32.9	Very low	194 Å²	194	140 Å²	140	91%	0.907	80%	0.797	S	S	*	*			trans	74.8	140.7	162.1	-48.7	-161.7	12.5	0	0	120.3
303	T	30.9	Very low	32.9	Very low	127 Å²	127	145.1 Å²	145.1	78%	0.779	81%	0.808	S	S	*	*			trans	-82.7	-175.8	160	47.9	0	0	0	0	109.1
304	P	45.1	Very low	33	Very low	104 Å²	104	138.5 Å²	138.5	68%	0.675	80%	0.795	S	S	*	*			cis	-148.2	-167.2	20.7	35.7	-9.3	0	0	0	117.6
305	L	35.6	Very low	33.8	Very low	165 Å²	165	131.9 Å²	131.9	86%	0.864	79%	0.785	S	S	*	*			trans	74	149.5	165.1	-54.2	-179.7	0	0	0	116.2
306	A	30.7	Very low	33.9	Very low	78 Å²	78	133.9 Å²	133.9	65%	0.645	79%	0.793	S	S	*	*			cis	-163.7	166.8	-11.8	0	0	0	0	0	110.4
307	F	28	Very low	34.1	Very low	212 Å²	212	130 Å²	130	93%	0.93	79%	0.79	S	S	*	*			trans	36.5	134.4	156.1	-81.2	-115.6	0	0	0	120.5
308	G	30.2	Very low	34.1	Very low	68 Å²	68	131.1 Å²	131.1	70%	0.701	80%	0.796	S	S	*	*			cis	155.2	175.1	-2.4	0	0	0	0	0	113.1
309	V	32.8	Very low	34.2	Very low	145 Å²	145	132.2 Å²	132.2	88%	0.879	79%	0.792	S	S	*	*			trans	76.4	138.1	157.7	-176	0	0	0	0	120.3
310	Q	34.8	Very low	34.3	Very low	172 Å²	172	129.4 Å²	129.4	80%	0.804	79%	0.785	S	S	*	*			trans	-74.7	172.1	175.1	-81.4	-160.2	47.2	0	0	114.7
311	S	32.2	Very low	35.2	Very low	91 Å²	91	130.4 Å²	130.4	64%	0.636	78%	0.783	S	S	*	*			cis	-153	-103	-13.4	-95.1	0	0	0	0	112.9
312	P	55.4	Low	35.2	Very low	111 Å²	111	130.6 Å²	130.6	72%	0.721	79%	0.793	S	S	*	*				-128.5	176.3	-127.5	39.7	-22.3	0	0	0	117
313	L	33	Very low	35	Very low	173 Å²	173	125.1 Å²	125.1	91%	0.906	79%	0.789	S	S	*	*				165.2	156.3	129.6	-86.5	168.4	0	0	0	112.9
314	G	32.7	Very low	35.2	Very low	66 Å²	66	127.5 Å²	127.5	68%	0.68	79%	0.791	S	S	*	*			trans	-89.7	-164.2	168.3	0	0	0	0	0	112.6
315	P	43.4	Very low	35.1	Very low	120 Å²	120	127.6 Å²	127.6	78%	0.779	79%	0.792	S	S	*	*				-159.1	-173.9	59	36.5	-11	0	0	0	119.2
316	V	34.4	Very low	35.3	Very low	148 Å²	148	126.9 Å²	126.9	90%	0.897	79%	0.788	S	S	*	*			trans	62.6	161.8	157.5	-81.7	0	0	0	0	123.6
317	A	36.2	Very low	35.5	Very low	90 Å²	90	129.9 Å²	129.9	74%	0.744	79%	0.792	S	S	*	*			trans	-145.6	166.3	-175.4	0	0	0	0	0	112.4
318	Q	32.9	Very low	35.5	Very low	199 Å²	199	132 Å²	132	93%	0.93	79%	0.794	S	S	*	*			trans	-144.3	-179.4	171.7	-78.4	-156.4	-10.1	0	0	112.9
319	V	31.4	Very low	35.6	Very low	124 Å²	124	132.1 Å²	132.1	75%	0.752	80%	0.796	S	S	*	*			trans	-148	123.7	-139.7	84.5	0	0	0	0	115.1
320	I	31.4	Very low	35.5	Very low	153 Å²	153	134.4 Å²	134.4	79%	0.785	80%	0.796	S	S	*	*			trans	45.6	-175.9	158.2	17.6	174	0	0	0	120
321	P	48	Very low	35.3	Very low	116 Å²	116	130.8 Å²	130.8	75%	0.753	80%	0.796	S	S	*	*			cis	-132.7	159	-30.8	30.7	-11.5	0	0	0	117
322	G	28.9	Very low	35.4	Very low	86 Å²	86	131.9 Å²	131.9	89%	0.887	80%	0.795	S	S	*	*			trans	94.6	136.8	133.6	0	0	0	0	0	121.1
323	G	27.9	Very low	34.3	Very low	80 Å²	80	134.6 Å²	134.6	83%	0.825	80%	0.802	S	S	*	*			trans	158.4	129.8	167.1	0	0	0	0	0	115.2
324	Q	34.5	Very low	34.8	Very low	176 Å²	176	134 Å²	134	82%	0.822	79%	0.792	S	S	*	*			trans	-148.5	146.4	175.8	-97.2	-77.3	-15.5	0	0	108.6
325	P	42.3	Very low	35.9	Very low	106 Å²	106	136.8 Å²	136.8	69%	0.688	80%	0.798	S	S	*	*				-154.8	159.5	111.2	39.3	-21.5	0	0	0	117.8
326	L	39.9	Very low	35.6	Very low	151 Å²	151	134.6 Å²	134.6	79%	0.791	79%	0.79	S	S	*	*			trans	24.8	149.1	134.3	-75.7	56.6	0	0	0	120
327	I	35.4	Very low	35.5	Very low	140 Å²	140	134 Å²	134	72%	0.718	79%	0.787	S	S	*	*			cis	-164.9	157.4	12.5	-128.3	167.3	0	0	0	108.4
328	W	27.3	Very low	35.4	Very low	256 Å²	256	137.3 Å²	137.3	97%	0.97	79%	0.787	S	S	*	*				167.5	166.7	87.2	-151.6	26.9	0	0	0	110.7
329	G	32.3	Very low	35.6	Very low	72 Å²	72	134.6 Å²	134.6	74%	0.742	77%	0.774	S	S	*	*			trans	115	130.2	155.5	0	0	0	0	0	118.8
330	Q	30.5	Very low	35.5	Very low	192 Å²	192	137.2 Å²	137.2	90%	0.897	78%	0.778	S	S	*	*			trans	-100.7	172	170.1	-105.7	-170.3	39.1	0	0	110.2
331	A	30.2	Very low	35.4	Very low	97 Å²	97	142.1 Å²	142.1	80%	0.802	79%	0.787	S	S	*	*			cis	-151.4	-174.6	42.8	0	0	0	0	0	115.1
332	N	34.5	Very low	34.7	Very low	113 Å²	113	140.8 Å²	140.8	60%	0.604	79%	0.786	S	S	*	*			trans	-152.9	139.9	-152.5	175.9	36.5	0	0	0	111.9	F334	N332-F334 WeakPolarHBondContact OD1-CD2 3.27Å; N332-F334 VanDerWaalsContact OD1-CE2 3.27Å; N332-F334 WeakPolarHBondContact OD1-CE2 3.18Å
333	I	32.5	Very low	34.9	Very low	169 Å²	169	141.4 Å²	141.4	87%	0.867	78%	0.783	S	S	*	*			trans	-142.3	125.2	169.3	-45.4	179.3	0	0	0	110.5
334	F	45.1	Very low	35.1	Very low	160 Å²	160	146.2 Å²	146.2	70%	0.702	79%	0.786	S	S	*	*			trans	-113.1	-166.9	179.9	-95.4	-82.6	0	0	0	109.3	N332	N332-F334 WeakPolarHBondContact OD1-CD2 3.27Å; N332-F334 VanDerWaalsContact OD1-CE2 3.27Å; N332-F334 WeakPolarHBondContact OD1-CE2 3.18Å
335	P	54.3	Low	35	Very low	124 Å²	124	142.9 Å²	142.9	81%	0.805	79%	0.789	S	S	*	*			cis	-138.1	-158.4	10.5	37.9	-14.3	0	0	0	115.2
336	A	37.3	Very low	34.4	Very low	75 Å²	75	142.6 Å²	142.6	62%	0.62	80%	0.796	S	S	*	*				177.6	150.4	-60.6	0	0	0	0	0	110.7
337	T	32.3	Very low	33.9	Very low	135 Å²	135	138.9 Å²	138.9	83%	0.828	79%	0.794	S	S	*	*			trans	-177.1	122.2	151.7	23.3	0	0	0	0	109.1
338	Q	33.8	Very low	33.7	Very low	160 Å²	160	136.2 Å²	136.2	75%	0.748	79%	0.792	S	S	*	*				66.5	134.6	88.4	-113.9	-171.6	28	0	0	114.4
339	Q	37.7	Very low	33.8	Very low	141 Å²	141	133.6 Å²	133.6	66%	0.659	79%	0.788	S	S	*	*			cis	-140.7	167.1	23.4	-82.3	-83.3	-0	0	0	113.2
340	Q	29.7	Very low	34	Very low	179 Å²	179	135.9 Å²	135.9	84%	0.836	79%	0.793	S	S	*	*			trans	-124.9	152.7	156.8	-68.9	-178.7	-75.5	0	0	108.6
341	W	28.8	Very low	34.9	Very low	256 Å²	256	132.3 Å²	132.3	97%	0.97	79%	0.786	S	S	*	*			trans	-144.1	165.5	164.3	-122.9	29.5	0	0	0	114.2
342	A	32.7	Very low	34.9	Very low	89 Å²	89	133.9 Å²	133.9	74%	0.736	79%	0.786	S	S	*	*			trans	-87.1	163.5	-144.4	0	0	0	0	0	116.9
343	A	34.3	Very low	34.8	Very low	98 Å²	98	132.7 Å²	132.7	81%	0.81	79%	0.792	S	S	*	*			trans	-104.1	155.7	159.5	0	0	0	0	0	110.4
344	M	32.2	Very low	34.7	Very low	181 Å²	181	135.6 Å²	135.6	89%	0.892	79%	0.793	S	S	*	*			trans	-145.3	132.6	179.4	-83.8	-75.2	-171.1	0	0	110.8
345	A	31.4	Very low	34.2	Very low	106 Å²	106	135.4 Å²	135.4	88%	0.876	80%	0.799	S	S	*	*			trans	62	144.8	167.2	0	0	0	0	0	118.2
346	A	29.4	Very low	33.9	Very low	101 Å²	101	135.4 Å²	135.4	84%	0.835	80%	0.799	S	S	*	*			cis	-160	158.5	-14.4	0	0	0	0	0	111.2
347	G	30.4	Very low	33.6	Very low	73 Å²	73	136.6 Å²	136.6	75%	0.753	81%	0.809	S	S	*	*			trans	85	118	-178.9	0	0	0	0	0	112.7
348	A	31.6	Very low	33.9	Very low	83 Å²	83	138.2 Å²	138.2	69%	0.686	81%	0.807	S	S	*	*				61	128.2	56.8	0	0	0	0	0	111.7
349	F	29.2	Very low	34.5	Very low	201 Å²	201	136.6 Å²	136.6	88%	0.882	81%	0.811	S	S	*	*			cis	-157.9	168.7	24.1	3.2	-109.7	0	0	0	111.5
350	S	35.2	Very low	34.3	Very low	120 Å²	120	136.7 Å²	136.7	84%	0.839	82%	0.82	S	S	*	*			trans	-153.1	174.6	-176.1	-46.6	0	0	0	0	111.2
351	P	51.3	Low	34.4	Very low	117 Å²	117	131 Å²	131	76%	0.76	81%	0.81	S	S	*	*			cis	-130	-168.1	-28	38.8	-22	0	0	0	112.5
352	T	29.4	Very low	34.4	Very low	130 Å²	130	126 Å²	126	80%	0.798	81%	0.808	S	S	*	*			trans	145.7	148.5	137.2	-61.5	0	0	0	0	113.2
353	A	32.6	Very low	34.7	Very low	88 Å²	88	129.6 Å²	129.6	73%	0.727	81%	0.814	S	S	*	*			trans	-123.9	163.7	178.9	0	0	0	0	0	112.1
354	Y	30.7	Very low	35.2	Very low	230 Å²	230	130.5 Å²	130.5	90%	0.902	81%	0.811	S	S	*	*			trans	-152.4	150	167.5	-117.3	-86.3	0	0	0	113.1
355	L	34.8	Very low	35.1	Very low	156 Å²	156	126.3 Å²	126.3	82%	0.817	81%	0.805	S	S	*	*			trans	-111.7	176.7	168.7	-72.5	171.2	0	0	0	109.7
356	P	47.6	Very low	35.2	Very low	125 Å²	125	125.9 Å²	125.9	81%	0.812	80%	0.802	S	S	*	*				-149.6	139.4	125.4	33.5	-16	0	0	0	117.9
357	A	30.9	Very low	35.2	Very low	100 Å²	100	129.7 Å²	129.7	83%	0.826	81%	0.805	S	S	*	*			trans	59.2	160.3	134.9	0	0	0	0	0	124.2
358	Q	38	Very low	35.2	Very low	168 Å²	168	135.4 Å²	135.4	79%	0.785	81%	0.809	S	S	*	*			trans	-125.6	168.2	-178.4	-70.3	-90.1	-13.6	0	0	109.2
359	P	46.7	Very low	35.1	Very low	127 Å²	127	139 Å²	139	83%	0.825	81%	0.812	S	S	*	*				-153.6	-166.9	93.9	39.8	-18.9	0	0	0	116.2
360	V	34.6	Very low	34.9	Very low	142 Å²	142	135.1 Å²	135.1	86%	0.861	81%	0.805	S	S	*	*			trans	-129.2	152.5	-164.6	169.5	0	0	0	0	112.7
361	G	31.2	Very low	34.7	Very low	60 Å²	60	137.7 Å²	137.7	62%	0.619	81%	0.808	S	S	*	*			trans	170.9	103	161.8	0	0	0	0	0	121.3
362	T	28.7	Very low	33.6	Very low	150 Å²	150	136.3 Å²	136.3	92%	0.92	81%	0.807	S	S	*	*			trans	47.9	148.5	134.9	49.5	0	0	0	0	126.7
363	L	38.4	Very low	34.3	Very low	166 Å²	166	135.8 Å²	135.8	87%	0.869	81%	0.806	S	S	*	*			trans	-72.1	178.2	167.9	-69.3	164.2	0	0	0	113
364	P	44.6	Very low	34.2	Very low	116 Å²	116	138 Å²	138	75%	0.753	81%	0.809	S	S	*	*			cis	-151	-176.7	22.8	46	-24.5	0	0	0	120.4
365	A	30.4	Very low	34.1	Very low	93 Å²	93	132.8 Å²	132.8	77%	0.769	80%	0.802	S	S	*	*			trans	53	114.2	144.6	0	0	0	0	0	125
366	A	33.6	Very low	33.9	Very low	97 Å²	97	131.4 Å²	131.4	80%	0.802	80%	0.8	S	S	*	*			trans	29.4	129.6	138	0	0	0	0	0	124
367	M	29.8	Very low	33.2	Very low	182 Å²	182	132 Å²	132	90%	0.897	80%	0.801	S	S	*	*				-176.9	143.7	114.7	51.2	-170.5	175.8	0	0	116.9
368	F	30.5	Very low	33.3	Very low	192 Å²	192	134 Å²	134	84%	0.842	80%	0.803	S	S	*	*			trans	52.7	113.3	154.7	-85.7	-102.8	0	0	0	124.8
369	Q	28.2	Very low	33.5	Very low	159 Å²	159	132.1 Å²	132.1	74%	0.743	81%	0.805	S	S	*	*				42.9	131	125.6	-64	-75.7	23.8	0	0	122.3
370	T	25	Very low	32.7	Very low	120 Å²	120	130.3 Å²	130.3	74%	0.736	80%	0.801	S	S	*	*				170.4	138.4	116.4	-76.4	0	0	0	0	114.2
371	L	32.5	Very low	32.6	Very low	173 Å²	173	128.2 Å²	128.2	91%	0.906	79%	0.793	S	S	*	*			trans	77.7	141	169.7	-73.3	164	0	0	0	121.1
372	A	28.1	Very low	32.4	Very low	89 Å²	89	133.1 Å²	133.1	74%	0.736	80%	0.8	S	S	*	*			trans	-128.5	-168.9	175.3	0	0	0	0	0	108.2
373	P	43.6	Very low	32.2	Very low	119 Å²	119	131.5 Å²	131.5	77%	0.773	80%	0.795	S	S	*	*			cis	-120.4	-168.3	23.8	28.3	-2.6	0	0	0	112
374	V	29.2	Very low	31.8	Very low	133 Å²	133	131.5 Å²	131.5	81%	0.806	79%	0.79	S	S	*	*			cis	-153.5	153.1	39.3	169.9	0	0	0	0	111.4
375	T	30.2	Very low	31	Very low	121 Å²	121	132.9 Å²	132.9	74%	0.742	80%	0.797	S	S	*	*			trans	-107.2	176.9	178.1	-14.7	0	0	0	0	111.3
376	T	30	Very low	30.9	Very low	127 Å²	127	132.4 Å²	132.4	78%	0.779	80%	0.801	S	S	*	*				-176	144	72.6	44.8	0	0	0	0	112.9
377	V	32.7	Very low	30.6	Very low	139 Å²	139	133.2 Å²	133.2	84%	0.842	81%	0.807	S	S	*	*			trans	-160.9	114.7	145.8	-99.1	0	0	0	0	109.9
378	T	32.7	Very low	30.4	Very low	141 Å²	141	128.4 Å²	128.4	87%	0.865	80%	0.804	S	S	*	*			trans	178.6	145.6	161	10.3	0	0	0	0	111.3
379	P	43	Very low	30.4	Very low	128 Å²	128	123.7 Å²	123.7	83%	0.831	80%	0.801	S	S	*	*				-141.5	166.4	120.4	32.1	-16.2	0	0	0	112.7
380	A	30	Very low	30.4	Very low	89 Å²	89	121.4 Å²	121.4	74%	0.736	80%	0.802	S	S	*	*			cis	-168.5	164.6	-19.1	0	0	0	0	0	110.7
381	S	31.1	Very low	30.8	Very low	98 Å²	98	120 Å²	120	69%	0.685	80%	0.804	S	S	*	*			trans	64.9	137	140.7	-167.1	0	0	0	0	120.4
382	E	28.3	Very low	30.5	Very low	164 Å²	164	117.4 Å²	117.4	77%	0.766	80%	0.8	S	S	*	*			cis	-170.3	179	-15.5	-120.1	163.1	111.3	0	0	112.8
383	S	25.1	Very low	30.9	Very low	116 Å²	116	117.6 Å²	117.6	81%	0.811	80%	0.801	S	S	*	*			trans	111.1	157.9	158.6	-60	0	0	0	0	117.8
384	Q	29.4	Very low	30.9	Very low	166 Å²	166	117.8 Å²	117.8	78%	0.776	80%	0.802	S	S	*	*			trans	-129.6	173.1	-140.6	-56.6	178.3	21.7	0	0	115.7
385	T	28	Very low	31.3	Very low	145 Å²	145	116.9 Å²	116.9	89%	0.89	80%	0.802	S	S	*	*			trans	85	148.7	158.3	75.8	0	0	0	0	118.6
386	G	27.5	Very low	32	Very low	83 Å²	83	116.7 Å²	116.7	86%	0.856	80%	0.803	S	S	*	*			trans	133.2	119.4	177.2	0	0	0	0	0	112.3
387	A	27.5	Very low	32	Very low	113 Å²	113	116.4 Å²	116.4	93%	0.934	81%	0.806	S	S	*	*			trans	-119.9	160	174.2	0	0	0	0	0	110.2
388	G	26.4	Very low	32	Very low	81 Å²	81	114.4 Å²	114.4	84%	0.835	80%	0.804	S	S	*	*			trans	161.4	146.1	172.5	0	0	0	0	0	113.1
389	A	29.7	Very low	31.8	Very low	93 Å²	93	113.2 Å²	113.2	77%	0.769	80%	0.801	S	S	*	*			trans	-134.2	164.3	179.3	0	0	0	0	0	111.7
390	S	28.3	Very low	31.1	Very low	111 Å²	111	112.5 Å²	112.5	78%	0.776	80%	0.8	S	S	*	*			trans	70.1	127.6	158.9	72.5	0	0	0	0	120.4
391	A	33.9	Very low	31.1	Very low	92 Å²	92	113.6 Å²	113.6	76%	0.76	80%	0.802	S	S	*	*			trans	68.6	170.1	134.1	0	0	0	0	0	121
392	S	26.8	Very low	32.2	Very low	118 Å²	118	114.2 Å²	114.2	83%	0.825	80%	0.803	S	S	*	*			trans	90.6	104.6	165.4	-40.7	0	0	0	0	118.1
393	A	34.9	Very low	32.4	Very low	93 Å²	93	114.8 Å²	114.8	77%	0.769	81%	0.806	S	S	*	*			trans	-76.2	168.6	134.1	0	0	0	0	0	108.4
394	P	45.1	Very low	32.7	Very low	123 Å²	123	117.3 Å²	117.3	80%	0.799	81%	0.805	S	S	*	*			cis	-137.9	-170.6	19.4	42.7	-23.3	0	0	0	115.9
395	S	37.5	Very low	32.8	Very low	113 Å²	113	112.6 Å²	112.6	79%	0.79	80%	0.8	S	S	*	*			trans	-72.6	169.4	176.9	-33.2	0	0	0	0	114.5
396	P	44.7	Very low	32.9	Very low	117 Å²	117	114.2 Å²	114.2	76%	0.76	80%	0.798	S	S	*	*				-140.7	153.5	127.1	37.8	-25.8	0	0	0	116.8
397	S	30.1	Very low	33.1	Very low	122 Å²	122	113.5 Å²	113.5	85%	0.853	79%	0.791	S	S	*	*			trans	7.3	159.2	139.3	-38.6	0	0	0	0	121.2
398	A	31.3	Very low	33.9	Very low	97 Å²	97	113.4 Å²	113.4	80%	0.802	78%	0.781	S	S	*	*			cis	-149.8	-176.7	7.7	0	0	0	0	0	108.9
399	S	29.6	Very low	34.2	Very low	115 Å²	115	119.1 Å²	119.1	80%	0.804	78%	0.782	S	S	*	*			cis	-162.9	179.7	23.5	61.9	0	0	0	0	108.7
400	S	28.5	Very low	35	Very low	114 Å²	114	124.5 Å²	124.5	80%	0.797	79%	0.788	S	S	*	*			cis	-146.9	169.5	14.4	57.2	0	0	0	0	113.3
401	S	30.1	Very low	35.3	Very low	112 Å²	112	128.5 Å²	128.5	78%	0.783	80%	0.797	S	S	*	*			trans	-118	-162	177.7	-142	0	0	0	0	108.5
402	P	53.4	Low	35.2	Very low	110 Å²	110	127.4 Å²	127.4	71%	0.714	80%	0.795	S	S	*	*			cis	-124.9	-169.1	-9.9	37.4	-14.6	0	0	0	111.5
403	Q	32.1	Very low	36.3	Very low	177 Å²	177	131.2 Å²	131.2	83%	0.827	80%	0.797	S	S	*	*				-147.9	132.9	50.6	-77.4	-179.6	-39.4	0	0	111
404	H	32.4	Very low	36.7	Very low	169 Å²	169	134.9 Å²	134.9	78%	0.782	80%	0.798	S	S	*	*				69.4	125.4	92.3	-140.4	-75.4	0	0	0	111.9	E406	H404-E406 IonicContact CE1-OE1 2.61Å
405	G	31.4	Very low	36.9	Very low	66 Å²	66	138.4 Å²	138.4	68%	0.68	81%	0.806	S	S	*	*			cis	145.5	153.6	20.2	0	0	0	0	0	105.2
406	E	29.7	Very low	37.5	Very low	179 Å²	179	142.5 Å²	142.5	84%	0.836	81%	0.81	S	S	*	*			cis	-147.3	-175.3	19.4	-51.1	-171.9	125.4	0	0	110.6	H404	H404-E406 IonicContact CE1-OE1 2.61Å
407	G	31.6	Very low	37.9	Very low	69 Å²	69	146 Å²	146	71%	0.711	81%	0.814	S	S	*	*			trans	-110.6	-141.3	173.9	0	0	0	0	0	112.6
408	P	44.1	Very low	38.4	Very low	111 Å²	111	147.7 Å²	147.7	72%	0.721	81%	0.813	S	S	*	*			cis	-143.4	-167.3	-16.4	32.5	-8.9	0	0	0	114.3
409	K	32.9	Very low	38.9	Very low	200 Å²	200	152.8 Å²	152.8	87%	0.87	82%	0.817	S	S	*	*			trans	106.7	158.7	155.7	-60.5	166.8	-177.9	171.6	0	119
410	K	45.7	Very low	39.5	Very low	206 Å²	206	156.5 Å²	156.5	90%	0.896	82%	0.822	S	S	*	*			trans	-103.4	148.1	-170.9	-47.3	167.5	179.5	176.4	0	111.6
411	M	34.4	Very low	40	Very low	195 Å²	195	159 Å²	159	96%	0.961	83%	0.826	S	S	*	*			trans	-175.6	162	143.2	54.3	-175.1	-174.3	0	0	112.4
412	G	33.6	Very low	40.3	Very low	70 Å²	70	158.7 Å²	158.7	72%	0.722	83%	0.829	S	S	*	*			trans	75.3	140.3	178.7	0	0	0	0	0	114.2
413	K	48.4	Very low	39.4	Very low	198 Å²	198	162.4 Å²	162.4	86%	0.861	83%	0.834	S	S	*	*			cis	58.5	132.4	5.3	-149.2	176.3	-177.6	-177.9	0	115.4
414	E	43.8	Very low	39.8	Very low	169 Å²	169	159.2 Å²	159.2	79%	0.79	83%	0.829	S	S	*	*			trans	73.1	83.9	-176.4	-56.6	-170.3	-143.1	0	0	115.6
415	M	49.7	Very low	40	Very low	197 Å²	197	157.3 Å²	157.3	97%	0.97	83%	0.832	S	S	*	*			trans	-116.5	52.4	153.8	-65.2	-166.5	-59.2	0	0	109.2
416	F	50.1	Low	40.1	Very low	199 Å²	199	159 Å²	159	87%	0.873	84%	0.839	S	S	*	*			trans	-137.8	51.7	-177.5	-150.7	-85	0	0	0	111.8
417	K	51.9	Low	40.4	Very low	191 Å²	191	158.4 Å²	158.4	83%	0.83	84%	0.838	S	S	*	*			trans	-170.6	90.6	166.1	-109.4	163.6	-176.1	174.4	0	109.9
418	D	42.4	Very low	40.6	Very low	157 Å²	157	161.4 Å²	161.4	84%	0.84	85%	0.846	S	S	*	*			trans	-156	158.5	151.5	-97.7	-43	0	0	0	108.3
419	F	41.2	Very low	40	Very low	204 Å²	204	160.6 Å²	160.6	90%	0.895	84%	0.843	S	S	*	*	S	Bend	trans	60.4	50.6	-175.7	-70.1	-84.9	0	0	0	116.8
420	Q	41.4	Very low	39.9	Very low	194 Å²	194	160.5 Å²	160.5	91%	0.907	84%	0.842	S	S	*	*			trans	-133.6	62.7	148.7	-103.3	-159.7	86.3	0	0	112.1
421	L	40.4	Very low	39	Very low	167 Å²	167	160.1 Å²	160.1	87%	0.874	84%	0.841	S	S	*	*			trans	-157.3	88.3	158.3	-147.8	70.3	0	0	0	114
422	A	36.5	Very low	38.7	Very low	104 Å²	104	154.3 Å²	154.3	86%	0.86	83%	0.83	S	S	*	*			trans	-129.7	89.9	162.2	0	0	0	0	0	108.2
423	K	33.7	Very low	38.2	Very low	188 Å²	188	160 Å²	160	82%	0.817	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-89.6	117.4	-172.8	-175.6	174.1	-178	175	0	110.1
424	P	39.6	Very low	37.3	Very low	111 Å²	111	157.9 Å²	157.9	72%	0.721	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-68	139.8	176.9	27.7	-33.6	0	0	0	110.9
425	P	38.6	Very low	36.9	Very low	128 Å²	128	155.8 Å²	155.8	83%	0.831	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-75.6	157.4	176	31.6	-34.8	0	0	0	112.1
426	A	32.9	Very low	35.8	Very low	101 Å²	101	150.5 Å²	150.5	84%	0.835	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-91.2	161.1	179.9	0	0	0	0	0	113.2
427	M	35.6	Very low	34.8	Very low	167 Å²	167	149.3 Å²	149.3	82%	0.823	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-72.8	163.1	-176.8	-48.2	177.2	-64.4	0	0	114.1
428	P	35.8	Very low	33.8	Very low	133 Å²	133	145.1 Å²	145.1	86%	0.864	82%	0.817	S	S	*	*			trans	-104.4	148.6	142.2	35.6	-28.4	0	0	0	111.9
429	S	31.6	Very low	33	Very low	94 Å²	94	140.8 Å²	140.8	66%	0.657	81%	0.81	S	S	*	*			trans	-119.8	147.5	-172.9	-41.6	0	0	0	0	113.1
430	K	31.1	Very low	32.8	Very low	198 Å²	198	137.2 Å²	137.2	86%	0.861	81%	0.805	S	S	*	*			trans	176.3	124.6	130.1	-101.2	166.3	-178.8	176.9	0	116.6
431	K	27.3	Very low	33.1	Very low	198 Å²	198	133.6 Å²	133.6	86%	0.861	80%	0.801	S	S	*	*				49	125.3	121.5	-166.9	-173.5	-178	-170.2	0	120.6
432	G	26.5	Very low	33	Very low	72 Å²	72	132.8 Å²	132.8	74%	0.742	79%	0.793	S	S	*	*			trans	179.4	80.8	161.1	0	0	0	0	0	118.5
433	E	24.4	Very low	33.3	Very low	190 Å²	190	132.4 Å²	132.4	89%	0.888	79%	0.789	S	S	*	*			trans	60	175.8	153.6	-127.1	100.4	134.1	0	0	122.6
434	Q	28.2	Very low	33.7	Very low	153 Å²	153	132.8 Å²	132.8	72%	0.715	79%	0.792	S	S	*	*			trans	-120.5	167.8	-173.6	-144.3	-152.9	51.7	0	0	111
435	P	36.8	Very low	33.9	Very low	126 Å²	126	132 Å²	132	82%	0.818	79%	0.789	S	S	*	*				-144.4	176.5	97.2	39.4	-24.7	0	0	0	115
436	S	26.1	Very low	34.4	Very low	86 Å²	86	130.3 Å²	130.3	60%	0.601	78%	0.78	S	S	*	*			trans	-100.3	154	-177.7	55.1	0	0	0	0	113.8
437	L	30	Very low	34.9	Very low	174 Å²	174	135.8 Å²	135.8	91%	0.911	78%	0.78	S	S	*	*				-177.5	169.5	118.7	-100.1	166.4	0	0	0	112.2
438	A	28.9	Very low	35.3	Very low	102 Å²	102	136.6 Å²	136.6	84%	0.843	78%	0.779	S	S	*	*			trans	-94.2	160.3	-176.1	0	0	0	0	0	113.2
439	G	27.2	Very low	35.7	Very low	66 Å²	66	135.4 Å²	135.4	68%	0.68	77%	0.774	S	S	*	*			trans	-166.8	125.9	173.9	0	0	0	0	0	114.9
440	T	37.2	Very low	36.5	Very low	129 Å²	129	141.3 Å²	141.3	79%	0.791	78%	0.782	S	S	*	*			trans	52.1	71.4	157.6	60.3	0	0	0	0	118.9	E442	T440-E442 PolarHBondContact O-N 2.74Å
441	S	47.8	Very low	36.9	Very low	118 Å²	118	138.2 Å²	138.2	83%	0.825	78%	0.78	S	S	*	*			trans	-78	91.7	145.3	161.1	0	0	0	0	109.1
442	E	37	Very low	37.3	Very low	151 Å²	151	131.8 Å²	131.8	71%	0.706	77%	0.77	S	S	*	*			trans	-151.6	-8.9	179.9	-129	169.1	170.1	0	0	117.1	T440 F444	T440-E442 PolarHBondContact O-N 2.74Å; E442-F444 PolarHBondContact O-N 2.99Å
443	A	44	Very low	38	Very low	95 Å²	95	135.6 Å²	135.6	79%	0.785	78%	0.779	S	S	*	*	S	Bend	trans	-80.7	-14.9	-166.5	0	0	0	0	0	116.9
444	F	40.8	Very low	38.6	Very low	197 Å²	197	131.6 Å²	131.6	86%	0.864	78%	0.779	S	S	*	*	S	Bend	trans	-118.4	-18	-173.5	-90.6	-90.7	0	0	0	115.7	E442 S446	E442-F444 PolarHBondContact O-N 2.99Å; F444-S446 VanDerWaalsContact C-N 3.32Å; F444-S446 PolarHBondContact O-N 3.46Å
445	S	43.3	Very low	39.1	Very low	94 Å²	94	132.9 Å²	132.9	66%	0.657	78%	0.784	S	S	*	*	G	3₁₀ helix	trans	-79.4	-10.4	-178.3	-51.8	0	0	0	0	114.3	Y447	S445-Y447 VanDerWaalsContact C-N 3.35Å; S445-Y447 PolarHBondContact O-N 3.22Å
446	S	49.9	Very low	39	Very low	92 Å²	92	134 Å²	134	64%	0.643	78%	0.783	S	S	*	*	G	3₁₀ helix	trans	-79.5	-9.9	-172.1	-126.4	0	0	0	0	115	F444	F444-S446 VanDerWaalsContact C-N 3.32Å; F444-S446 PolarHBondContact O-N 3.46Å
447	Y	44.5	Very low	39.7	Very low	217 Å²	217	134.4 Å²	134.4	85%	0.851	78%	0.782	S	S	*	*	G	3₁₀ helix	trans	-91.6	-17.1	-169.7	-125.5	-84.5	0	0	0	115.6	S445	S445-Y447 VanDerWaalsContact C-N 3.35Å; S445-Y447 PolarHBondContact O-N 3.22Å
448	F	42.8	Very low	40.5	Very low	183 Å²	183	133.1 Å²	133.1	80%	0.803	78%	0.777	S	S	*	*	S	Bend	trans	-106.2	-10.1	-178.1	-90.4	-86.3	0	0	0	114.8	R450	F448-R450 VanDerWaalsContact C-N 3.32Å; F448-R450 PolarHBondContact O-N 2.91Å
449	S	43.8	Very low	41.3	Very low	108 Å²	108	135.9 Å²	135.9	76%	0.755	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	27.5	-175.1	-52.3	0	0	0	0	114.7
450	R	48.3	Very low	41.9	Very low	218 Å²	218	139.2 Å²	139.2	82%	0.823	79%	0.788	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141	25.1	-177.4	-149.5	-177	-67.6	178.5	0.5	115.7	F448	F448-R450 VanDerWaalsContact C-N 3.32Å; F448-R450 PolarHBondContact O-N 2.91Å
451	V	39.3	Very low	42.4	Very low	133 Å²	133	141.2 Å²	141.2	81%	0.806	80%	0.795	S	S	*	*			trans	-130.3	75.6	170	-77.2	0	0	0	0	110.4
452	G	37.6	Very low	42.1	Very low	64 Å²	64	142.2 Å²	142.2	66%	0.66	79%	0.79	S	S	*	*	S	Bend	trans	-158.8	115.8	177.5	0	0	0	0	0	111.8
453	T	39.6	Very low	42.3	Very low	151 Å²	151	145.4 Å²	145.4	93%	0.926	80%	0.803	S	S	*	*			trans	47	101.4	164.3	58.9	0	0	0	0	118.6
454	A	37.6	Very low	42.2	Very low	107 Å²	107	147.1 Å²	147.1	88%	0.884	80%	0.798	S	S	*	*			trans	-143.1	128.7	138.6	0	0	0	0	0	109
455	Q	38.5	Very low	42.4	Very low	179 Å²	179	144.5 Å²	144.5	84%	0.836	79%	0.792	S	S	*	*			trans	-93.4	131.3	167.9	160.9	-167.6	-21	0	0	106.8
456	D	34.3	Very low	42.1	Very low	149 Å²	149	144.7 Å²	144.7	80%	0.797	79%	0.793	S	S	*	*			trans	-158.8	-167.6	139.3	-135.6	-63.1	0	0	0	111
457	T	41.8	Very low	41.4	Very low	95 Å²	95	148.6 Å²	148.6	58%	0.583	80%	0.801	S	S	*	*			trans	-130.9	171.4	-147.1	-28.5	0	0	0	0	111.7
458	D	46.4	Very low	41.1	Very low	148 Å²	148	146.1 Å²	146.1	79%	0.791	80%	0.799	S	S	*	*			trans	69.7	175.5	163.7	-54.4	-45.8	0	0	0	118.3
459	D	45.8	Very low	40.6	Very low	159 Å²	159	144.2 Å²	144.2	85%	0.85	80%	0.798	S	S	*	*			trans	65.5	74.9	172.8	-121.1	-105.3	0	0	0	118.7
460	C	39.5	Very low	40.2	Very low	136 Å²	136	145.6 Å²	145.6	92%	0.919	80%	0.796	S	S	*	*			trans	-144.9	32.8	156.9	-92.3	0	0	0	0	112.4
461	D	48.5	Very low	39.5	Very low	172 Å²	172	141.2 Å²	141.2	92%	0.92	79%	0.793	S	S	*	*			trans	-105.8	69.7	177.3	-96.4	-53.9	0	0	0	111.4
462	D	41.6	Very low	39.8	Very low	138 Å²	138	140 Å²	140	74%	0.738	79%	0.788	S	S	*	*			trans	-153.5	99.3	157.4	-167.5	8.7	0	0	0	112.3
463	F	40.3	Very low	39.6	Very low	219 Å²	219	143.2 Å²	143.2	96%	0.961	80%	0.795	S	S	*	*			trans	-164.3	64.3	157.7	-108.3	-61.7	0	0	0	110.3
464	D	42.7	Very low	39.2	Very low	131 Å²	131	142.2 Å²	142.2	70%	0.701	79%	0.789	S	S	*	*			trans	-133.9	155.9	174.5	-159.9	9.5	0	0	0	112.6
465	I	43.9	Very low	39	Very low	142 Å²	142	142 Å²	142	73%	0.728	78%	0.781	S	S	*	*			trans	64.8	131.7	163.5	-74.2	151.5	0	0	0	117.4
466	S	36.8	Very low	38.8	Very low	98 Å²	98	139.7 Å²	139.7	69%	0.685	78%	0.779	S	S	*	*			cis	-170.5	157.3	-17.8	61.9	0	0	0	0	109.6
467	Q	34.9	Very low	38.9	Very low	173 Å²	173	138.4 Å²	138.4	81%	0.808	78%	0.777	S	S	*	*	S	Bend	trans	-173.4	140.7	137.1	-71.5	-150.2	65.2	0	0	106
468	M	38.2	Very low	38.7	Very low	165 Å²	165	139.6 Å²	139.6	81%	0.813	79%	0.786	S	S	*	*			cis	-171.5	153	-11.1	51.3	176.9	159.3	0	0	107.6
469	N	33.6	Very low	38.1	Very low	144 Å²	144	138 Å²	138	77%	0.77	79%	0.787	S	S	*	*			cis	-165.9	174	-23.6	-168.5	5.5	0	0	0	108.2
470	L	35.3	Very low	37.4	Very low	137 Å²	137	136.7 Å²	136.7	72%	0.717	78%	0.784	S	S	*	*			trans	72.1	92.8	164.2	-52.9	-176.6	0	0	0	120
471	T	32.9	Very low	37.1	Very low	125 Å²	125	138 Å²	138	77%	0.767	78%	0.783	S	S	*	*				-9.3	175.3	127.2	52	0	0	0	0	120.5
472	P	46.7	Very low	36.7	Very low	107 Å²	107	135.1 Å²	135.1	70%	0.695	78%	0.776	S	S	*	*			cis	-136.8	172.5	-37.7	36.4	-20.2	0	0	0	113.7
473	V	32.3	Very low	37.3	Very low	133 Å²	133	134.1 Å²	134.1	81%	0.806	78%	0.777	S	S	*	*				174.4	137.3	116.2	-85.9	0	0	0	0	115
474	T	31.5	Very low	37.4	Very low	129 Å²	129	129.4 Å²	129.4	79%	0.791	77%	0.768	S	S	*	*			trans	51.6	127.4	135.5	-47.8	0	0	0	0	122.5
475	S	33.8	Very low	37.3	Very low	104 Å²	104	129.7 Å²	129.7	73%	0.727	78%	0.775	S	S	*	*			trans	-52.3	157.1	166.4	-40	0	0	0	0	115.2
476	T	34.1	Very low	37.1	Very low	130 Å²	130	128.7 Å²	128.7	80%	0.798	78%	0.778	S	S	*	*				178.4	157	104.2	-65.6	0	0	0	0	109.6
477	T	36.3	Very low	37.2	Very low	121 Å²	121	128.3 Å²	128.3	74%	0.742	78%	0.78	S	S	*	*			trans	-71.1	173.6	171.7	54.6	0	0	0	0	111.7
478	P	38.4	Very low	37.4	Very low	120 Å²	120	125.6 Å²	125.6	78%	0.779	78%	0.778	S	S	*	*				-136	160.7	100.8	37.5	-28.7	0	0	0	113.8
479	S	32	Very low	37.2	Very low	116 Å²	116	129.9 Å²	129.9	81%	0.811	79%	0.785	S	S	*	*			trans	-128.1	128.4	166.9	177	0	0	0	0	108.1
480	T	32.3	Very low	37.1	Very low	130 Å²	130	132.9 Å²	132.9	80%	0.798	79%	0.791	S	S	*	*			trans	-141.1	152.3	179.1	49.7	0	0	0	0	112.1
481	N	33.3	Very low	37.1	Very low	165 Å²	165	132 Å²	132	88%	0.882	80%	0.797	S	S	*	*			trans	-55.8	147.3	-166.9	-58.4	-65.7	0	0	0	116.6
482	S	38.8	Very low	37.4	Very low	111 Å²	111	131.7 Å²	131.7	78%	0.776	80%	0.799	S	S	*	*			trans	-90.5	174.7	152.3	43.2	0	0	0	0	110.9
483	P	55	Low	37.6	Very low	116 Å²	116	132.3 Å²	132.3	75%	0.753	80%	0.803	S	S	*	*			cis	-117.2	-174.1	-12.3	41.5	-27.9	0	0	0	111.8
484	P	41.6	Very low	37.6	Very low	121 Å²	121	131 Å²	131	79%	0.786	80%	0.8	S	S	*	*				-153.4	163.3	95.3	39.9	-22.3	0	0	0	117.2
485	T	42.2	Very low	37.6	Very low	136 Å²	136	133.7 Å²	133.7	83%	0.834	80%	0.801	S	S	*	*			trans	-105.5	141.7	149.9	-2.1	0	0	0	0	107.3
486	P	39.1	Very low	37.6	Very low	122 Å²	122	133.1 Å²	133.1	79%	0.792	80%	0.796	S	S	*	*				-145.5	176.7	71.6	38.6	-20	0	0	0	115.7
487	A	38	Very low	37.4	Very low	89 Å²	89	132.2 Å²	132.2	74%	0.736	80%	0.795	S	S	*	*			trans	-78.4	157.7	167.9	0	0	0	0	0	111
488	P	39.1	Very low	37.2	Very low	117 Å²	117	131 Å²	131	76%	0.76	80%	0.797	S	S	*	*				-153.2	161.5	75.9	40.3	-22.1	0	0	0	116.9
489	R	35.5	Very low	37.1	Very low	255 Å²	255	129.7 Å²	129.7	96%	0.962	79%	0.792	S	S	*	*			trans	-142	144.8	149.4	-73.5	-160.4	175.9	-127	-5.8	111.5
490	K	32	Very low	37.3	Very low	207 Å²	207	132.6 Å²	132.6	90%	0.9	79%	0.792	S	S	*	*			trans	-113.2	145.7	179.2	-61.1	178.8	179.1	-179.2	0	110.3
491	S	33.4	Very low	37.4	Very low	119 Å²	119	132.1 Å²	132.1	83%	0.832	79%	0.788	S	S	*	*			trans	-162.4	115.2	150.4	54.8	0	0	0	0	111.8
492	S	39.3	Very low	37.3	Very low	117 Å²	117	128.9 Å²	128.9	82%	0.818	78%	0.779	S	S	*	*			trans	-129.7	163.9	161.3	-45.5	0	0	0	0	106.6
493	P	51.5	Low	36.9	Very low	121 Å²	121	130.8 Å²	130.8	79%	0.786	78%	0.78	S	S	*	*				-142.3	-175.9	80	43.3	-28.3	0	0	0	111.5
494	S	32.9	Very low	37.2	Very low	105 Å²	105	130.5 Å²	130.5	73%	0.734	78%	0.779	S	S	*	*			cis	-120.6	-146.9	-0.4	-53.2	0	0	0	0	108.5
495	K	31.1	Very low	37.8	Very low	186 Å²	186	129.4 Å²	129.4	81%	0.809	77%	0.772	S	S	*	*			cis	-158.7	161.7	-4.1	-145.9	-178.5	178.4	-179.1	0	108.7
496	S	32.9	Very low	37.4	Very low	91 Å²	91	129.3 Å²	129.3	64%	0.636	77%	0.771	S	S	*	*			trans	23.6	133.1	147.8	49.3	0	0	0	0	121
497	S	31.4	Very low	37.1	Very low	111 Å²	111	130.9 Å²	130.9	78%	0.776	77%	0.772	S	S	*	*			cis	-165.7	153.3	6.5	-82.5	0	0	0	0	113.2
498	A	31.6	Very low	37.1	Very low	95 Å²	95	130 Å²	130	79%	0.785	77%	0.765	S	S	*	*			trans	52.5	151.8	140.9	0	0	0	0	0	122.8
499	S	35.4	Very low	37	Very low	94 Å²	94	131 Å²	131	66%	0.657	77%	0.77	S	S	*	*			cis	-175.1	164.5	-36.5	46.8	0	0	0	0	110.4
500	H	36.9	Very low	37.1	Very low	176 Å²	176	125.9 Å²	125.9	82%	0.815	76%	0.761	S	S	*	*			trans	71.3	153.1	171.1	-63.7	-80.7	0	0	0	119.2
501	V	34	Very low	38.5	Very low	120 Å²	120	121.3 Å²	121.3	73%	0.727	75%	0.753	S	S	*	*			cis	-163.4	144.8	-41.7	109	0	0	0	0	110.8
502	S	31.4	Very low	39.4	Very low	97 Å²	97	120.4 Å²	120.4	68%	0.678	74%	0.744	S	S	*	*			trans	32.6	118.7	159.8	-55.7	0	0	0	0	123.9
503	D	31.2	Very low	39.3	Very low	152 Å²	152	120.6 Å²	120.6	81%	0.813	74%	0.741	S	S	*	*				21.7	159.5	109	-68.7	-57.8	0	0	0	121.4
504	P	60	Low	38.3	Very low	110 Å²	110	122.1 Å²	122.1	71%	0.714	74%	0.742	S	S	*	*			cis	-135	-124.9	-47.3	38.8	-17.4	0	0	0	108.7
505	P	55.4	Low	38.4	Very low	98 Å²	98	123.7 Å²	123.7	64%	0.636	74%	0.742	S	S	*	*			cis	-123.2	-152.4	-47.7	36.2	-15.5	0	0	0	112.7
506	T	34.2	Very low	38.7	Very low	133 Å²	133	119.9 Å²	119.9	82%	0.816	74%	0.739	S	S	*	*			trans	68.7	146.6	163	50.3	0	0	0	0	119.1
507	D	31.8	Very low	38.6	Very low	155 Å²	155	125.5 Å²	125.5	83%	0.829	75%	0.752	S	S	*	*			cis	-164.4	171.1	-15.8	-177.6	32.3	0	0	0	109.6
508	A	37.1	Very low	38.6	Very low	71 Å²	71	122.9 Å²	122.9	59%	0.587	74%	0.742	S	S	*	*			trans	74.8	100.9	159.6	0	0	0	0	0	122.1
509	T	39.1	Very low	38.6	Very low	139 Å²	139	127.4 Å²	127.4	85%	0.853	75%	0.748	S	S	*	*				79.3	113	124.1	-46.7	0	0	0	0	122.1
510	D	35.8	Very low	38.5	Very low	146 Å²	146	126.6 Å²	126.6	78%	0.781	75%	0.746	S	S	*	*			trans	-67.5	172.8	163.4	-77.4	-71.3	0	0	0	115.4
511	P	63.1	Low	38.2	Very low	111 Å²	111	127.2 Å²	127.2	72%	0.721	75%	0.749	S	S	*	*			cis	-124.5	-140.1	-49.5	39	-19.2	0	0	0	108
512	P	52.1	Low	38	Very low	100 Å²	100	124.8 Å²	124.8	65%	0.649	75%	0.749	S	S	*	*			cis	-153.5	-178	43.6	37.8	-11.2	0	0	0	119.1
513	T	37	Very low	38.3	Very low	122 Å²	122	125.9 Å²	125.9	75%	0.748	76%	0.756	S	S	*	*			trans	65.6	114.2	142.5	42	0	0	0	0	124.6
514	D	30.9	Very low	39.1	Very low	153 Å²	153	124.8 Å²	124.8	82%	0.818	76%	0.758	S	S	*	*				98.2	154.4	112.5	-137	-112.7	0	0	0	122.4
515	D	33.8	Very low	37.9	Very low	138 Å²	138	124.8 Å²	124.8	74%	0.738	76%	0.76	S	S	*	*			trans	-71	155.6	-167.6	-84.8	-124.1	0	0	0	115.9
516	S	38.3	Very low	37	Very low	106 Å²	106	131.8 Å²	131.8	74%	0.741	77%	0.774	S	S	*	*				173.6	137.6	117.3	-81	0	0	0	0	115.2
517	F	30.8	Very low	36.9	Very low	209 Å²	209	131.5 Å²	131.5	92%	0.917	78%	0.778	S	S	*	*			trans	60.8	159.7	157.1	-90.4	-117	0	0	0	118.1
518	G	31.1	Very low	36.9	Very low	55 Å²	55	127 Å²	127	57%	0.567	77%	0.768	S	S	*	*			cis	150.4	161.3	-2.5	0	0	0	0	0	111.1
519	E	32	Very low	36.8	Very low	191 Å²	191	133.3 Å²	133.3	89%	0.893	79%	0.785	S	S	*	*			trans	67.7	153.6	178.2	-59.2	-163	117.7	0	0	115.8
520	A	33.1	Very low	36.8	Very low	76 Å²	76	135.7 Å²	135.7	63%	0.628	79%	0.787	S	S	*	*			cis	-162.7	-165.5	-20.6	0	0	0	0	0	108.8
521	E	30	Very low	36.6	Very low	189 Å²	189	136 Å²	136	88%	0.883	79%	0.788	S	S	*	*			trans	67.7	146.8	174.5	-50.3	-63.4	78.2	0	0	116.6
522	G	30.8	Very low	35.4	Very low	70 Å²	70	134.5 Å²	134.5	72%	0.722	79%	0.786	S	S	*	*			cis	178.1	147.3	-7.6	0	0	0	0	0	111.1
523	S	36	Very low	34.6	Very low	119 Å²	119	134 Å²	134	83%	0.832	79%	0.789	S	S	*	*			trans	-90.9	150.8	174.2	-61.6	0	0	0	0	111.3
524	P	48.4	Very low	34.2	Very low	130 Å²	130	134.6 Å²	134.6	84%	0.844	80%	0.797	S	S	*	*				-145.9	-169.5	112.5	38.1	-22.2	0	0	0	114.3
525	S	34.2	Very low	34.3	Very low	109 Å²	109	131.2 Å²	131.2	76%	0.762	80%	0.798	S	S	*	*			trans	-139.7	164.9	-163.6	-48	0	0	0	0	114.5
526	R	36.7	Very low	34.3	Very low	245 Å²	245	130.9 Å²	130.9	93%	0.925	81%	0.807	S	S	*	*			trans	80	120.1	157	-54.7	178.6	77.2	-166.1	4.5	120.9
527	S	32.7	Very low	33.8	Very low	128 Å²	128	129.1 Å²	129.1	90%	0.895	81%	0.805	S	S	*	*			trans	172.8	157.3	134.4	52.1	0	0	0	0	109.5
528	G	31.1	Very low	34.1	Very low	61 Å²	61	125 Å²	125	63%	0.629	80%	0.802	S	S	*	*			cis	153.5	102.5	-13.6	0	0	0	0	0	113.6
529	E	36.4	Very low	34.8	Very low	202 Å²	202	128.1 Å²	128.1	94%	0.944	81%	0.813	S	S	*	*			trans	57.8	164.6	171.3	-71.5	131.8	110.4	0	0	116.9
530	E	38.8	Very low	34.9	Very low	189 Å²	189	124.7 Å²	124.7	88%	0.883	81%	0.809	S	S	*	*			cis	-143.1	-176.4	10	66.5	-173.7	26	0	0	109.4
531	D	32.1	Very low	35.5	Very low	153 Å²	153	126.6 Å²	126.6	82%	0.818	82%	0.815	S	S	*	*			cis	-147.6	-113.1	-3.1	177.9	-120.3	0	0	0	111.4
532	A	37.3	Very low	35.6	Very low	80 Å²	80	122.4 Å²	122.4	66%	0.661	81%	0.807	S	S	*	*			trans	-141.9	-172.1	-160.9	0	0	0	0	0	113.8
533	A	35.1	Very low	35.7	Very low	88 Å²	88	127.7 Å²	127.7	73%	0.727	81%	0.812	S	S	*	*			cis	-156.8	-178.3	12.3	0	0	0	0	0	114
534	C	29.6	Very low	35.4	Very low	135 Å²	135	128.1 Å²	128.1	91%	0.912	81%	0.81	S	S	*	*			trans	71.7	126.4	177.9	-58.9	0	0	0	0	116
535	G	31.3	Very low	34.6	Very low	82 Å²	82	126.6 Å²	126.6	85%	0.845	81%	0.808	S	S	*	*			cis	114.3	137.2	4.6	0	0	0	0	0	111.8
536	S	33.8	Very low	34.7	Very low	131 Å²	131	128.9 Å²	128.9	92%	0.916	81%	0.807	S	S	*	*			cis	-150.8	-173.3	1.1	68.9	0	0	0	0	109.2
537	G	29.5	Very low	35	Very low	69 Å²	69	123.3 Å²	123.3	71%	0.711	80%	0.803	S	S	*	*			cis	-173.4	178.6	5	0	0	0	0	0	112.6
538	S	35.1	Very low	35.1	Very low	122 Å²	122	121.7 Å²	121.7	85%	0.853	79%	0.791	S	S	*	*			trans	-119.6	177.6	-176	-62	0	0	0	0	110.1
539	P	46.1	Very low	35.9	Very low	122 Å²	122	124.5 Å²	124.5	79%	0.792	80%	0.799	S	S	*	*			cis	-139.8	-175.5	11.5	43.9	-25	0	0	0	117
540	C	34.3	Very low	35.7	Very low	118 Å²	118	122.4 Å²	122.4	80%	0.797	79%	0.789	S	S	*	*			trans	-75.5	161.6	160.8	-50.1	0	0	0	0	111.2
541	P	46.7	Very low	35.5	Very low	116 Å²	116	121 Å²	121	75%	0.753	78%	0.782	S	S	*	*				-153	169.7	92.5	40.3	-22.3	0	0	0	117.8
542	S	31.7	Very low	35.6	Very low	102 Å²	102	118.3 Å²	118.3	71%	0.713	78%	0.781	S	S	*	*			trans	39.7	127.3	147.3	-55.5	0	0	0	0	125.5
543	E	32.1	Very low	35.9	Very low	180 Å²	180	119.8 Å²	119.8	84%	0.841	79%	0.786	S	S	*	*			trans	62.1	154.9	132.9	-70.8	-172.1	77.4	0	0	124.6
544	T	30.6	Very low	37	Very low	128 Å²	128	122 Å²	122	79%	0.785	79%	0.794	S	S	*	*			trans	98	114.2	151.2	-45.9	0	0	0	0	120.7
545	A	32.1	Very low	37.9	Very low	98 Å²	98	124.9 Å²	124.9	81%	0.81	79%	0.794	S	S	*	*			trans	75.8	158.9	143.7	0	0	0	0	0	124.4
546	E	36.2	Very low	38.8	Very low	157 Å²	157	125.9 Å²	125.9	73%	0.734	79%	0.794	S	S	*	*			trans	-44.5	170.3	-179.2	-80.8	-179.4	67.9	0	0	119.9	S548	E546-S548 PolarHBondContact OE1-OG 2.91Å
547	P	42.2	Very low	39.4	Very low	129 Å²	129	123.1 Å²	123.1	84%	0.838	79%	0.786	S	S	*	*				-129	137.6	121.4	36.8	-29.3	0	0	0	115.3
548	S	34.6	Very low	40	Very low	93 Å²	93	129.5 Å²	129.5	65%	0.65	82%	0.82	S	S	*	*			trans	-126.8	135.8	161.1	-66.3	0	0	0	0	108.2	E546	E546-S548 PolarHBondContact OE1-OG 2.91Å
549	P	48.7	Very low	40.2	Very low	121 Å²	121	129.9 Å²	129.9	79%	0.786	82%	0.818	S	S	*	*				-135.9	-178.6	98.2	40.6	-28.8	0	0	0	111
550	E	31.8	Very low	39.9	Very low	158 Å²	158	130.3 Å²	130.3	74%	0.738	82%	0.82	S	S	*	*			cis	-155	150.2	16.5	-148.7	-173.9	90.4	0	0	105.4
551	Q	34.4	Very low	40.2	Very low	159 Å²	159	130.9 Å²	130.9	74%	0.743	82%	0.821	S	S	*	*				-176.6	158.2	69.4	-70.8	-153.9	-46.3	0	0	113.3
552	A	35.1	Very low	39.8	Very low	96 Å²	96	131.8 Å²	131.8	79%	0.793	83%	0.825	S	S	*	*			trans	55.5	120.2	143.5	0	0	0	0	0	122.6
553	S	43.9	Very low	40.3	Very low	111 Å²	111	133.7 Å²	133.7	78%	0.776	83%	0.832	S	S	*	*			trans	-73.1	177.7	160.1	-42.3	0	0	0	0	112.7
554	P	56.9	Low	40.9	Very low	136 Å²	136	130.6 Å²	130.6	88%	0.883	83%	0.831	S	S	*	*				-134.7	158	97.6	38.6	-30.7	0	0	0	114.4
555	E	49.7	Very low	41.6	Very low	194 Å²	194	130.8 Å²	130.8	91%	0.907	83%	0.834	S	S	*	*			trans	-129.4	121.6	171.7	-172.3	-169.8	138.3	0	0	110.6
556	A	50.2	Low	42.3	Very low	103 Å²	103	133.3 Å²	133.3	85%	0.851	84%	0.836	S	S	*	*			trans	-173.4	146.7	157.7	0	0	0	0	0	108.2
557	G	46.3	Very low	42.9	Very low	73 Å²	73	131.3 Å²	131.3	75%	0.753	85%	0.845	S	S	*	*			cis	151	54.2	-1.9	0	0	0	0	0	114.1
558	S	40.4	Very low	42.9	Very low	203 Å²	203	131.5 Å²	131.5	100%	1.42	85%	0.845	S	S	*	*			trans	-166.5	0	166	-74.5	0	0	0	0	110.2

Retrieved 558 of 558 residues in 79.4 ms (Link to these results)

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