Q1X6L5_SCHMA Loading...

Venom allergen-like protein 2

AlphaFold DB , UniProt , Accession Q1X6L5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 229 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39	Very low	44.9	Very low	231 Å²	231	178.2 Å²	178.2	100%	1.138	87%	0.866	S	S	*	*				0	99.7	0	-68.5	170.3	166.7	0	0	105.4
2	F	45.8	Very low	44.5	Very low	196 Å²	196	177.5 Å²	177.5	86%	0.86	87%	0.869	S	S	*	*				-157.4	107.4	70.7	-82.1	-99.8	0	0	0	107.4
3	K	40.8	Very low	44.8	Very low	204 Å²	204	179.2 Å²	179.2	89%	0.887	86%	0.862	S	S	*	*			trans	-127	131.7	165.7	-78.2	-176.7	175.9	-179	0	105.1
4	K	44.6	Very low	45	Very low	207 Å²	207	173.4 Å²	173.4	90%	0.9	84%	0.843	S	S	*	*			trans	100.6	73.1	-178.6	-56.6	174.4	179.9	-173.1	0	114.6
5	L	44.3	Very low	45.5	Very low	155 Å²	155	177.6 Å²	177.6	81%	0.812	85%	0.849	S	S	*	*			trans	-152.1	36.5	163.9	-114.1	170.8	0	0	0	113
6	I	44.8	Very low	45.6	Very low	164 Å²	164	170.2 Å²	170.2	84%	0.841	83%	0.834	S	S	*	*			trans	-146.1	140.5	168.1	-53.1	-179	0	0	0	107.1
7	I	45	Very low	46.1	Very low	148 Å²	148	164.9 Å²	164.9	76%	0.759	82%	0.824	S	S	*	*			trans	100.4	56.9	-173.2	-43.8	157.3	0	0	0	113.1
8	Y	45.9	Very low	46.4	Very low	248 Å²	248	162.4 Å²	162.4	97%	0.973	81%	0.814	S	S	*	*			trans	-121	22.3	150.2	-90.3	-73.2	0	0	0	112
9	A	47.9	Very low	47.2	Very low	79 Å²	79	160.3 Å²	160.3	65%	0.653	81%	0.81	S	S	*	*			trans	-116.9	107.9	167.5	0	0	0	0	0	105.8
10	L	45.8	Very low	48	Very low	161 Å²	161	159.2 Å²	159.2	84%	0.843	81%	0.807	S	S	*	*	S	Bend	trans	172	7.8	149.2	-89.8	179.7	0	0	0	115.1
11	I	49.8	Very low	49.3	Very low	167 Å²	167	157.9 Å²	157.9	86%	0.856	80%	0.798	S	S	*	*			trans	-119.5	54	166.8	-41.3	179.4	0	0	0	111
12	N	40.9	Very low	51.8	Low	170 Å²	170	155.6 Å²	155.6	91%	0.909	78%	0.781	S	S	*	*			trans	-119.7	51.9	152.3	-75.8	-49.2	0	0	0	107.2
13	Y	47.6	Very low	54.2	Low	199 Å²	199	148 Å²	148	78%	0.78	75%	0.75	S	S	*	*			trans	-105	99.1	177.7	-162.6	-97.6	0	0	0	108.7
14	V	48.6	Very low	56.8	Low	98 Å²	98	142.5 Å²	142.5	59%	0.594	73%	0.73	S	S	*	*			trans	60.9	77.3	147.4	-163.4	0	0	0	0	116.1
15	Y	51.3	Low	59.4	Low	237 Å²	237	140.4 Å²	140.4	93%	0.929	72%	0.721	S	S	*	*			trans	-106.8	55.9	136.3	-68.5	-74.9	0	0	0	108.6	A17	Y15-A17 PolarHBondContact O-N 3.24Å
16	G	47.9	Very low	61.9	Low	59 Å²	59	136.2 Å²	136.2	61%	0.608	70%	0.699	S	S	*	*			trans	-65.6	97	153.3	0	0	0	0	0	105.4	N18	G16-N18 PolarHBondContact O-N 3.15Å
17	A	54.2	Low	64.5	Low	80 Å²	80	129 Å²	129	66%	0.661	66%	0.664	S	S	*	*			trans	-49.7	110.6	174.8	0	0	0	0	0	107.3	Y15 T19	Y15-A17 PolarHBondContact O-N 3.24Å; A17-T19 PolarHBondContact O-N 2.99Å
18	N	51.6	Low	67	Low	120 Å²	120	126.7 Å²	126.7	64%	0.642	65%	0.65	S	S	*	*			trans	-67	100.2	-179.3	-160.8	-8.2	0	0	0	105.7	G16 N20 E21	G16-N18 PolarHBondContact O-N 3.15Å; N18-N20 PolarHBondContact O-N 3.4Å; N18-E21 PolarHBondContact O-N 3.44Å; N18-E21 VanDerWaalsContact O-N 3.14Å
19	T	60.9	Low	69.6	Low	123 Å²	123	118 Å²	118	76%	0.755	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	0.5	-174.9	54.1	0	0	0	0	113.4	A17	A17-T19 PolarHBondContact O-N 2.99Å
20	N	63.3	Low	72	Confident	137 Å²	137	114.3 Å²	114.3	73%	0.733	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.6	11.8	179.4	-63.5	-35.3	0	0	0	113.1	N18 K22	N18-N20 PolarHBondContact O-N 3.4Å; N20-K22 PolarHBondContact O-N 3.42Å; N20-K22 VanDerWaalsContact O-N 3.15Å
21	E	76.3	Confident	74.5	Confident	133 Å²	133	107 Å²	107	62%	0.621	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-61.5	119.4	171.7	-170.8	175.5	-174.3	0	0	109.5	N18 L23 H62	N18-E21 PolarHBondContact O-N 3.44Å; N18-E21 VanDerWaalsContact O-N 3.14Å; E21-L23 PolarHBondContact O-N 3.34Å; E21-H62 IonicContact OE2-CE1 3.87Å
22	K	90.5	Very high	76.8	Confident	182 Å²	182	103.2 Å²	103.2	79%	0.791	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-62.3	124.4	175.8	-177.3	179.7	177.9	-179.9	0	108.6	N20	N20-K22 PolarHBondContact O-N 3.42Å; N20-K22 VanDerWaalsContact O-N 3.15Å
23	L	95.8	Very high	79.6	Confident	37 Å²	37	96 Å²	96	19%	0.194	49%	0.489	C	S	.	.	P	Polyproline II helix	trans	-59.7	142.9	174.2	-60	-176.4	0	0	0	110.5	E21 E28 L31 W60	E21-L23 PolarHBondContact O-N 3.34Å; L23-E28 HydrophobicContact CB-CB 4.3Å; L23-L31 HydrophobicContact CD1-CD2 3.78Å; L23-W60 HydrophobicContact CD1-CB 4.01Å; L23-W60 HydrophobicContact CD1-CD2 4.11Å; L23-W60 HydrophobicContact CD1-CE3 4.35Å; L23-W60 HydrophobicContact CD1-CG 3.97Å; L23-W60 HydrophobicContact CD2-CB 4.13Å; L23-W60 HydrophobicContact CD2-CD2 4.04Å; L23-W60 HydrophobicContact CD2-CG 3.58Å; L23-W60 HydrophobicContact CG-CG 4.44Å
24	D	96.9	Very high	82	Confident	88 Å²	88	86.6 Å²	86.6	47%	0.471	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-66	162.7	166	72.1	86.9	0	0	0	110.2	N26 S27 E28	D24-N26 VanDerWaalsContact C-N 3.26Å; D24-N26 PolarHBondContact O-N 2.96Å; D24-N26 WeakPolarHBondContact OD1-CA 3.39Å; D24-N26 VanDerWaalsContact OD1-CB 3.31Å; D24-N26 WeakPolarHBondContact OD1-CB 3.38Å; D24-N26 PolarHBondContact OD1-N 2.03Å; D24-S27 PolarHBondContact O-N 2.8Å; D24-S27 PolarHBondContact OD1-N 3.15Å; D24-S27 VanDerWaalsContact OD1-N 3.07Å; D24-S27 VanDerWaalsContact OD2-CB 3.23Å; D24-S27 WeakPolarHBondContact OD2-CB 2.88Å; D24-S27 PolarHBondContact OD2-OG 3.2Å; D24-E28 WeakPolarHBondContact O-CB 3.28Å; D24-E28 PolarHBondContact O-N 2.89Å
25	K	97.9	Very high	84.4	Confident	164 Å²	164	86.2 Å²	86.2	71%	0.713	44%	0.44	S	S	*	.	H	α-helix	trans	-56.6	-38	-174.8	-175.8	-176.1	174.6	-171.7	0	113.2	E29	K25-E29 WeakPolarHBondContact O-CB 3.47Å; K25-E29 PolarHBondContact O-N 2.91Å
26	N	98.3	Very high	86.7	Confident	66 Å²	66	79.8 Å²	79.8	35%	0.353	42%	0.417	S	S	.	.	H	α-helix	trans	-72.6	-42.9	-177.8	-67.4	-14.6	0	0	0	110.5	D24 E29 L30 I100 V142	D24-N26 VanDerWaalsContact C-N 3.26Å; D24-N26 PolarHBondContact O-N 2.96Å; D24-N26 WeakPolarHBondContact OD1-CA 3.39Å; D24-N26 VanDerWaalsContact OD1-CB 3.31Å; D24-N26 WeakPolarHBondContact OD1-CB 3.38Å; D24-N26 PolarHBondContact OD1-N 2.03Å; N26-E29 PolarHBondContact O-N 3.39Å; N26-L30 WeakPolarHBondContact O-CB 3.46Å; N26-L30 WeakPolarHBondContact O-CD1 3.47Å; N26-L30 WeakPolarHBondContact O-CG 3.36Å; N26-L30 PolarHBondContact O-N 3.5Å; N26-I100 HydrophobicContact CB-CD1 3.52Å; N26-V142 HydrophobicContact CB-CG2 4.35Å
27	S	98.5	Very high	89.1	Confident	14 Å²	14	78.3 Å²	78.3	10%	0.098	39%	0.393	C	S	.	.	H	α-helix	trans	-61.4	-42.9	174.7	-66	0	0	0	0	112	D24 L30 L31 W60	D24-S27 PolarHBondContact O-N 2.8Å; D24-S27 PolarHBondContact OD1-N 3.15Å; D24-S27 VanDerWaalsContact OD1-N 3.07Å; D24-S27 VanDerWaalsContact OD2-CB 3.23Å; D24-S27 WeakPolarHBondContact OD2-CB 2.88Å; D24-S27 PolarHBondContact OD2-OG 3.2Å; S27-L30 PolarHBondContact O-N 2.87Å; S27-L31 WeakPolarHBondContact O-CB 2.95Å; S27-L31 PolarHBondContact O-N 3.15Å; S27-W60 VanDerWaalsContact CB-CZ2 3.5Å; S27-W60 WeakPolarHBondContact O-CZ3 3.34Å; S27-W60 VanDerWaalsContact OG-CZ2 3.28Å; S27-W60 WeakPolarHBondContact OG-CZ2 3.42Å
28	E	98.3	Very high	91.2	Very high	99 Å²	99	74.9 Å²	74.9	46%	0.463	36%	0.363	S	S	.	.	H	α-helix	trans	-63.1	-47.2	175.1	-172.1	170.5	-147.7	0	0	111.7	L23 D24 L30 L31 E32	L23-E28 HydrophobicContact CB-CB 4.3Å; D24-E28 WeakPolarHBondContact O-CB 3.28Å; D24-E28 PolarHBondContact O-N 2.89Å; E28-L30 VanDerWaalsContact C-N 3.35Å; E28-L30 PolarHBondContact O-N 3.28Å; E28-L31 PolarHBondContact O-N 3.39Å; E28-E32 HydrophobicContact CG-CG 4.42Å; E28-E32 WeakPolarHBondContact O-CB 3.5Å; E28-E32 WeakPolarHBondContact O-CG 3.13Å; E28-E32 PolarHBondContact O-N 3.29Å
29	E	98.7	Very high	93.5	Very high	65 Å²	65	73.6 Å²	73.6	30%	0.304	35%	0.353	S	S	.	.	H	α-helix	trans	-58.9	-44.6	177.3	-175	179.1	169.3	0	0	111.9	K25 N26 E32 L33 I100	K25-E29 WeakPolarHBondContact O-CB 3.47Å; K25-E29 PolarHBondContact O-N 2.91Å; N26-E29 PolarHBondContact O-N 3.39Å; E29-E32 PolarHBondContact O-N 2.9Å; E29-L33 HydrophobicContact CG-CD1 3.88Å; E29-L33 HydrophobicContact CG-CG 4.39Å; E29-L33 WeakPolarHBondContact O-CB 3.4Å; E29-L33 VanDerWaalsContact O-CG 3.24Å; E29-L33 WeakPolarHBondContact O-CG 3.42Å; E29-L33 PolarHBondContact O-N 2.79Å; E29-I100 HydrophobicContact CB-CG2 4.35Å; E29-I100 HydrophobicContact CG-CG2 3.81Å
30	L	98.9	Very high	95.3	Very high	1 Å²	1	68.8 Å²	68.8	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-62.2	-46.9	178	-78.2	160.4	0	0	0	111.9	N26 S27 E28 H34 I100 V104 C140 V142 I152	N26-L30 WeakPolarHBondContact O-CB 3.46Å; N26-L30 WeakPolarHBondContact O-CD1 3.47Å; N26-L30 WeakPolarHBondContact O-CG 3.36Å; N26-L30 PolarHBondContact O-N 3.5Å; S27-L30 PolarHBondContact O-N 2.87Å; E28-L30 VanDerWaalsContact C-N 3.35Å; E28-L30 PolarHBondContact O-N 3.28Å; L30-H34 PolarHBondContact O-N 3.26Å; L30-H34 PolarHBondContact O-ND1 3.46Å; L30-I100 HydrophobicContact CD1-CD1 4.44Å; L30-I100 HydrophobicContact CD2-CG2 3.62Å; L30-I100 HydrophobicContact CG-CD1 4.45Å; L30-I100 HydrophobicContact CG-CG2 3.69Å; L30-V104 HydrophobicContact CD2-CG2 3.65Å; L30-C140 HydrophobicContact CB-CB 4.34Å; L30-C140 HydrophobicContact CD1-CB 3.58Å; L30-C140 HydrophobicContact CG-CB 4.39Å; L30-V142 HydrophobicContact CD1-CG2 3.49Å; L30-V142 VanDerWaalsContact CD1-CG2 3.49Å; L30-I152 HydrophobicContact CD2-CG2 3.81Å
31	L	98.7	Very high	97	Very high	7 Å²	7	62.3 Å²	62.3	4%	0.037	29%	0.288	C	S	.	.	H	α-helix	trans	-61.8	-46.7	178.7	179.7	59.8	0	0	0	111.4	L23 S27 E28 H34 R35 L58 W60 I138	L23-L31 HydrophobicContact CD1-CD2 3.78Å; S27-L31 WeakPolarHBondContact O-CB 2.95Å; S27-L31 PolarHBondContact O-N 3.15Å; E28-L31 PolarHBondContact O-N 3.39Å; L31-H34 PolarHBondContact O-N 2.82Å; L31-R35 HydrophobicContact CD1-CG 4.4Å; L31-R35 WeakPolarHBondContact O-CG 3.39Å; L31-R35 PolarHBondContact O-N 3.08Å; L31-L58 HydrophobicContact CD1-CB 4.03Å; L31-W60 HydrophobicContact CB-CE3 4.1Å; L31-W60 HydrophobicContact CB-CZ3 4.34Å; L31-W60 HydrophobicContact CD2-CB 4.24Å; L31-W60 HydrophobicContact CD2-CE3 4.49Å; L31-I138 HydrophobicContact CD1-CG2 3.49Å; L31-I138 VanDerWaalsContact CD1-CG2 3.49Å
32	E	98.7	Very high	98	Very high	88 Å²	88	57 Å²	57	41%	0.411	27%	0.265	S	S	.	.	H	α-helix	trans	-69.4	-37.9	-177.4	-70.3	-52.6	127.4	0	0	112.7	E28 E29 H34 R35 K36	E28-E32 HydrophobicContact CG-CG 4.42Å; E28-E32 WeakPolarHBondContact O-CB 3.5Å; E28-E32 WeakPolarHBondContact O-CG 3.13Å; E28-E32 PolarHBondContact O-N 3.29Å; E29-E32 PolarHBondContact O-N 2.9Å; E32-H34 PolarHBondContact O-N 3.37Å; E32-R35 PolarHBondContact O-N 3.15Å; E32-R35 WeakPolarHBondContact OE1-CD 3.38Å; E32-R35 IonicContact OE1-CZ 3.86Å; E32-R35 IonicContact OE1-NH1 3.59Å; E32-R35 PolarHBondContact OE1-NH1 3.09Å; E32-K36 VanDerWaalsContact O-CB 3.25Å; E32-K36 WeakPolarHBondContact O-CB 3.34Å; E32-K36 PolarHBondContact O-N 3.26Å
33	L	98.9	Very high	98.4	Very high	20 Å²	20	49.9 Å²	49.9	11%	0.105	24%	0.235	C	C	.	.	H	α-helix	trans	-61.2	-43.9	173.1	-74.4	168.4	0	0	0	111.6	E29 K36 Y37 I100 K101 V104	E29-L33 HydrophobicContact CG-CD1 3.88Å; E29-L33 HydrophobicContact CG-CG 4.39Å; E29-L33 WeakPolarHBondContact O-CB 3.4Å; E29-L33 VanDerWaalsContact O-CG 3.24Å; E29-L33 WeakPolarHBondContact O-CG 3.42Å; E29-L33 PolarHBondContact O-N 2.79Å; L33-K36 PolarHBondContact O-N 2.97Å; L33-Y37 HydrophobicContact CD2-CE2 4.4Å; L33-Y37 WeakPolarHBondContact O-CB 3.43Å; L33-Y37 WeakPolarHBondContact O-CD2 3.41Å; L33-Y37 PolarHBondContact O-N 3.25Å; L33-I100 HydrophobicContact CD1-CG2 3.87Å; L33-K101 HydrophobicContact CD1-CB 4.32Å; L33-K101 HydrophobicContact CD2-CG 4.41Å; L33-V104 HydrophobicContact CB-CB 4.5Å; L33-V104 HydrophobicContact CB-CG1 3.95Å; L33-V104 HydrophobicContact CD1-CB 4.13Å; L33-V104 HydrophobicContact CD1-CG1 4.47Å; L33-V104 HydrophobicContact CD1-CG2 4.1Å
34	H	98.9	Very high	98.5	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-65	-44.6	177.2	-76.8	79	0	0	0	112.1	L30 L31 E32 Y37 R38 L58 I138 Y156	L30-H34 PolarHBondContact O-N 3.26Å; L30-H34 PolarHBondContact O-ND1 3.46Å; L31-H34 PolarHBondContact O-N 2.82Å; E32-H34 PolarHBondContact O-N 3.37Å; H34-Y37 PolarHBondContact O-N 2.79Å; H34-R38 WeakPolarHBondContact O-CB 3.32Å; H34-R38 WeakPolarHBondContact O-CD 3.39Å; H34-R38 VanDerWaalsContact O-CG 3.23Å; H34-R38 WeakPolarHBondContact O-CG 3.4Å; H34-R38 PolarHBondContact O-N 2.99Å; H34-L58 HydrophobicContact CB-CD1 3.66Å; H34-I138 HydrophobicContact CB-CD1 4.23Å; H34-Y156 AromaticContact CD2-CE1 3.72Å; H34-Y156 AromaticContact NE2-CE1 3.62Å; H34-Y156 AromaticContact NE2-CZ 3.63Å; H34-Y156 PolarHBondContact NE2-OH 2.98Å
35	R	98.8	Very high	98.5	Very high	90 Å²	90	51.4 Å²	51.4	34%	0.34	24%	0.24	S	C	.	.	H	α-helix	trans	-59.4	-48.5	176.1	-76.4	172.5	171.1	172.1	-5.2	111.2	L31 E32 Y37 R38 Q39 L58	L31-R35 HydrophobicContact CD1-CG 4.4Å; L31-R35 WeakPolarHBondContact O-CG 3.39Å; L31-R35 PolarHBondContact O-N 3.08Å; E32-R35 PolarHBondContact O-N 3.15Å; E32-R35 WeakPolarHBondContact OE1-CD 3.38Å; E32-R35 IonicContact OE1-CZ 3.86Å; E32-R35 IonicContact OE1-NH1 3.59Å; E32-R35 PolarHBondContact OE1-NH1 3.09Å; R35-Y37 PolarHBondContact O-N 3.1Å; R35-R38 PolarHBondContact O-N 3.27Å; R35-Q39 WeakPolarHBondContact O-CB 3.31Å; R35-Q39 PolarHBondContact O-N 2.8Å; R35-L58 HydrophobicContact CG-CB 4.35Å; R35-L58 PolarHBondContact NE-O 2.95Å; R35-L58 PolarHBondContact NH2-O 2.83Å
36	K	98.7	Very high	98.6	Very high	102 Å²	102	44.1 Å²	44.1	44%	0.443	21%	0.209	S	C	.	.	H	α-helix	trans	-55.3	-52.2	176.4	179.9	-165	167.7	-66.6	0	111.1	E32 L33 R38 Q39 D40	E32-K36 VanDerWaalsContact O-CB 3.25Å; E32-K36 WeakPolarHBondContact O-CB 3.34Å; E32-K36 PolarHBondContact O-N 3.26Å; L33-K36 PolarHBondContact O-N 2.97Å; K36-R38 VanDerWaalsContact C-N 3.35Å; K36-R38 PolarHBondContact O-N 3.2Å; K36-Q39 CarbonylContact O-C 3.49Å; K36-Q39 WeakPolarHBondContact O-CB 3.47Å; K36-Q39 PolarHBondContact O-N 3.37Å; K36-Q39 VanDerWaalsContact O-N 3.12Å; K36-D40 IonicContact NZ-OD2 3.73Å; K36-D40 PolarHBondContact NZ-OD2 3.41Å; K36-D40 PolarHBondContact O-N 3.4Å
37	Y	98.9	Very high	98.5	Very high	28 Å²	28	47.5 Å²	47.5	11%	0.11	23%	0.227	C	C	.	.	H	α-helix	trans	-65.6	-36.6	-176.7	-77.9	-42.6	0	0	0	113.7	L33 H34 R35 Q39 D40 L41 V104 D105 F108 M130	L33-Y37 HydrophobicContact CD2-CE2 4.4Å; L33-Y37 WeakPolarHBondContact O-CB 3.43Å; L33-Y37 WeakPolarHBondContact O-CD2 3.41Å; L33-Y37 PolarHBondContact O-N 3.25Å; H34-Y37 PolarHBondContact O-N 2.79Å; R35-Y37 PolarHBondContact O-N 3.1Å; Y37-Q39 VanDerWaalsContact C-N 3.35Å; Y37-D40 PolarHBondContact O-N 2.74Å; Y37-L41 PolarHBondContact O-N 2.82Å; Y37-V104 HydrophobicContact CD2-CG1 4.02Å; Y37-V104 HydrophobicContact CE2-CG1 3.94Å; Y37-D105 PolarHBondContact OH-OD1 3.18Å; Y37-F108 AromaticContact CD1-CD1 3.35Å; Y37-F108 HydrophobicContact CD1-CD1 3.35Å; Y37-F108 HydrophobicContact CD1-CD2 4.32Å; Y37-F108 AromaticContact CD1-CE1 3.41Å; Y37-F108 HydrophobicContact CD1-CE1 3.41Å; Y37-F108 VanDerWaalsContact CD1-CE1 3.41Å; Y37-F108 HydrophobicContact CD1-CE2 4.38Å; Y37-F108 AromaticContact CD1-CG 3.81Å; Y37-F108 HydrophobicContact CD1-CG 3.81Å; Y37-F108 AromaticContact CD1-CZ 3.93Å; Y37-F108 HydrophobicContact CD1-CZ 3.93Å; Y37-F108 HydrophobicContact CD2-CB 4.04Å; Y37-F108 HydrophobicContact CD2-CD1 4.32Å; Y37-F108 HydrophobicContact CD2-CD2 4.34Å; Y37-F108 AromaticContact CD2-CG 3.97Å; Y37-F108 HydrophobicContact CD2-CG 3.97Å; Y37-F108 AromaticContact CE1-CD1 3.7Å; Y37-F108 HydrophobicContact CE1-CD1 3.7Å; Y37-F108 HydrophobicContact CE1-CE1 4.06Å; Y37-F108 HydrophobicContact CE1-CG 4.31Å; Y37-F108 HydrophobicContact CE2-CB 4.19Å; Y37-F108 HydrophobicContact CE2-CG 4.43Å; Y37-F108 HydrophobicContact CG-CB 4.25Å; Y37-F108 AromaticContact CG-CD1 3.72Å; Y37-F108 HydrophobicContact CG-CD1 3.72Å; Y37-F108 AromaticContact CG-CD2 3.88Å; Y37-F108 HydrophobicContact CG-CD2 3.88Å; Y37-F108 AromaticContact CG-CE1 3.95Å; Y37-F108 HydrophobicContact CG-CE1 3.95Å; Y37-F108 HydrophobicContact CG-CE2 4.11Å; Y37-F108 AromaticContact CG-CG 3.66Å; Y37-F108 HydrophobicContact CG-CG 3.66Å; Y37-F108 HydrophobicContact CG-CZ 4.11Å; Y37-M130 HydrophobicContact CD2-CE 3.93Å
38	R	98.8	Very high	98.5	Very high	7 Å²	7	50.5 Å²	50.5	3%	0.026	26%	0.261	C	S	.	.	H	α-helix	trans	-65.1	-40.1	171.3	-70.6	168.8	69.1	87.1	-6.5	111.5	H34 R35 K36 D40 L41 V42 M55 S56 M130 W132 A133 T135	H34-R38 WeakPolarHBondContact O-CB 3.32Å; H34-R38 WeakPolarHBondContact O-CD 3.39Å; H34-R38 VanDerWaalsContact O-CG 3.23Å; H34-R38 WeakPolarHBondContact O-CG 3.4Å; H34-R38 PolarHBondContact O-N 2.99Å; R35-R38 PolarHBondContact O-N 3.27Å; K36-R38 VanDerWaalsContact C-N 3.35Å; K36-R38 PolarHBondContact O-N 3.2Å; R38-D40 VanDerWaalsContact C-N 3.35Å; R38-L41 WeakPolarHBondContact O-CB 3.23Å; R38-L41 PolarHBondContact O-N 2.76Å; R38-V42 PolarHBondContact O-N 2.84Å; R38-M55 HydrophobicContact CB-CB 4.04Å; R38-M55 HydrophobicContact CB-CG 3.99Å; R38-S56 PolarHBondContact NE-O 3.37Å; R38-S56 PolarHBondContact NH2-O 3.25Å; R38-S56 VanDerWaalsContact NH2-O 3.11Å; R38-M130 WeakPolarHBondContact CG-O 3.44Å; R38-M130 PolarHBondContact NH1-O 2.96Å; R38-W132 PolarHBondContact NH1-O 3.07Å; R38-W132 PolarHBondContact NH2-O 2.79Å; R38-A133 PolarHBondContact NH2-O 3.35Å; R38-T135 PolarHBondContact NH2-O 3.41Å; R38-T135 VanDerWaalsContact NH2-O 3.11Å
39	Q	98.6	Very high	98.5	Very high	94 Å²	94	46.2 Å²	46.2	44%	0.439	24%	0.24	S	C	.	.	H	α-helix	trans	-65.5	-38.3	174.9	-170.1	61.4	48.3	0	0	111.7	R35 K36 Y37 L41 V42 D43	R35-Q39 WeakPolarHBondContact O-CB 3.31Å; R35-Q39 PolarHBondContact O-N 2.8Å; K36-Q39 CarbonylContact O-C 3.49Å; K36-Q39 WeakPolarHBondContact O-CB 3.47Å; K36-Q39 PolarHBondContact O-N 3.37Å; K36-Q39 VanDerWaalsContact O-N 3.12Å; Y37-Q39 VanDerWaalsContact C-N 3.35Å; Q39-L41 PolarHBondContact O-N 2.93Å; Q39-V42 CarbonylContact O-C 3.52Å; Q39-V42 WeakPolarHBondContact O-CA 3.29Å; Q39-V42 WeakPolarHBondContact O-CB 3.1Å; Q39-V42 PolarHBondContact O-N 2.82Å; Q39-D43 PolarHBondContact NE2-OD1 2.88Å; Q39-D43 WeakPolarHBondContact O-CB 3.19Å; Q39-D43 PolarHBondContact O-N 3.32Å
40	D	98.7	Very high	98.5	Very high	22 Å²	22	44.1 Å²	44.1	12%	0.118	23%	0.232	C	C	.	.	H	α-helix	trans	-60.6	-34.2	176.9	-72.5	-24.8	0	0	0	112.1	K36 Y37 R38 D43 C44 K45 V46	K36-D40 IonicContact NZ-OD2 3.73Å; K36-D40 PolarHBondContact NZ-OD2 3.41Å; K36-D40 PolarHBondContact O-N 3.4Å; Y37-D40 PolarHBondContact O-N 2.74Å; R38-D40 VanDerWaalsContact C-N 3.35Å; D40-D43 PolarHBondContact O-N 3.24Å; D40-C44 PolarHBondContact O-N 3.33Å; D40-C44 VanDerWaalsContact O-N 3.14Å; D40-K45 HydrophobicContact CB-CB 4Å; D40-K45 PolarHBondContact O-N 3.3Å; D40-K45 VanDerWaalsContact OD1-CD 3.27Å; D40-K45 WeakPolarHBondContact OD1-CD 3.49Å; D40-V46 HydrophobicContact CB-CG2 3.94Å
41	L	98.7	Very high	98.5	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-65.4	-40.2	171.5	-74	165.7	0	0	0	112.2	Y37 R38 Q39 V46 Q49 P51 A52 M55 F108 Y127 A131 Y168	Y37-L41 PolarHBondContact O-N 2.82Å; R38-L41 WeakPolarHBondContact O-CB 3.23Å; R38-L41 PolarHBondContact O-N 2.76Å; Q39-L41 PolarHBondContact O-N 2.93Å; L41-V46 HydrophobicContact CD2-CB 3.83Å; L41-V46 HydrophobicContact CD2-CG1 4.06Å; L41-V46 HydrophobicContact CD2-CG2 3.71Å; L41-V46 HydrophobicContact CG-CG2 3.88Å; L41-Q49 HydrophobicContact CD2-CB 4.23Å; L41-P51 CarbonylContact O-C 3.55Å; L41-P51 VanDerWaalsContact O-CA 3.27Å; L41-P51 WeakPolarHBondContact O-CA 3.24Å; L41-A52 HydrophobicContact CB-CB 4.05Å; L41-A52 PolarHBondContact O-N 2.83Å; L41-M55 HydrophobicContact CB-CE 4.16Å; L41-M55 HydrophobicContact CD1-CE 3.58Å; L41-F108 HydrophobicContact CD1-CE2 4.22Å; L41-F108 HydrophobicContact CD1-CZ 4.47Å; L41-F108 HydrophobicContact CG-CZ 4.28Å; L41-Y127 HydrophobicContact CD1-CE2 4.34Å; L41-Y127 WeakPolarHBondContact CD2-OH 3.2Å; L41-A131 HydrophobicContact CD1-CB 3.66Å; L41-Y168 HydrophobicContact CD1-CE1 4.24Å; L41-Y168 HydrophobicContact CD2-CE1 4.29Å
42	V	98.5	Very high	98.5	Very high	22 Å²	22	43.9 Å²	43.9	13%	0.133	23%	0.232	C	C	.	.	H	α-helix	trans	-70.2	-36.9	176.6	177.3	0	0	0	0	111.3	R38 Q39 C44 A52 M55 K171	R38-V42 PolarHBondContact O-N 2.84Å; Q39-V42 CarbonylContact O-C 3.52Å; Q39-V42 WeakPolarHBondContact O-CA 3.29Å; Q39-V42 WeakPolarHBondContact O-CB 3.1Å; Q39-V42 PolarHBondContact O-N 2.82Å; V42-C44 PolarHBondContact O-N 3.24Å; V42-A52 HydrophobicContact CG2-CB 4.08Å; V42-M55 HydrophobicContact CG2-CB 3.9Å; V42-M55 HydrophobicContact CG2-CG 3.69Å; V42-K171 WeakPolarHBondContact O-CE 3.45Å; V42-K171 PolarHBondContact O-NZ 2.91Å
43	D	98.1	Very high	98.5	Very high	31 Å²	31	45.3 Å²	45.3	17%	0.166	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	1	-177.7	-73.5	-0.2	0	0	0	113.4	Q39 D40 K45 P177	Q39-D43 PolarHBondContact NE2-OD1 2.88Å; Q39-D43 WeakPolarHBondContact O-CB 3.19Å; Q39-D43 PolarHBondContact O-N 3.32Å; D40-D43 PolarHBondContact O-N 3.24Å; D43-K45 VanDerWaalsContact C-N 3.31Å; D43-K45 HydrophobicContact CB-CD 3.75Å; D43-K45 HydrophobicContact CB-CG 3.97Å; D43-K45 PolarHBondContact O-N 3.21Å; D43-K45 IonicContact OD2-NZ 2.7Å; D43-K45 PolarHBondContact OD2-NZ 3.35Å; D43-P177 HydrophobicContact CB-CG 4.43Å
44	C	97.6	Very high	98.4	Very high	33 Å²	33	51 Å²	51	22%	0.223	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.8	31.9	178.2	-40.3	0	0	0	0	113.7	D40 V42 P51 C176	D40-C44 PolarHBondContact O-N 3.33Å; D40-C44 VanDerWaalsContact O-N 3.14Å; V42-C44 PolarHBondContact O-N 3.24Å; C44-P51 HydrophobicContact CB-CB 4.04Å; C44-P51 WeakPolarHBondContact SG-CB 3.39Å; C44-C176 HydrophobicContact CB-CB 3.78Å; C44-C176 WeakPolarHBondContact CB-SG 3.48Å; C44-C176 WeakPolarHBondContact SG-CB 3.26Å; C44-C176 CovalentContact SG-SG 1.98Å; C44-C176 PolarHBondContact SG-SG 2.96Å
45	K	98.1	Very high	98.4	Very high	125 Å²	125	51.7 Å²	51.7	54%	0.543	26%	0.261	S	S	.	.			trans	-98.7	2	-177.3	-66.6	168.6	179.1	157.1	0	113.7	D40 D43	D40-K45 HydrophobicContact CB-CB 4Å; D40-K45 PolarHBondContact O-N 3.3Å; D40-K45 VanDerWaalsContact OD1-CD 3.27Å; D40-K45 WeakPolarHBondContact OD1-CD 3.49Å; D43-K45 VanDerWaalsContact C-N 3.31Å; D43-K45 HydrophobicContact CB-CD 3.75Å; D43-K45 HydrophobicContact CB-CG 3.97Å; D43-K45 PolarHBondContact O-N 3.21Å; D43-K45 IonicContact OD2-NZ 2.7Å; D43-K45 PolarHBondContact OD2-NZ 3.35Å
46	V	98.5	Very high	98.3	Very high	11 Å²	11	48.1 Å²	48.1	7%	0.067	25%	0.25	C	C	.	.	S	Bend	trans	-103.8	107.8	-179	-174.9	0	0	0	0	109.6	D40 L41 Q49 F108 H111	D40-V46 HydrophobicContact CB-CG2 3.94Å; L41-V46 HydrophobicContact CD2-CB 3.83Å; L41-V46 HydrophobicContact CD2-CG1 4.06Å; L41-V46 HydrophobicContact CD2-CG2 3.71Å; L41-V46 HydrophobicContact CG-CG2 3.88Å; V46-Q49 HydrophobicContact CB-CB 4.43Å; V46-Q49 HydrophobicContact CG1-CB 4.09Å; V46-Q49 HydrophobicContact CG1-CG 3.97Å; V46-Q49 PolarHBondContact O-N 2.94Å; V46-F108 HydrophobicContact CG1-CE1 4.38Å; V46-F108 HydrophobicContact CG1-CZ 4.39Å; V46-F108 HydrophobicContact CG2-CE1 3.98Å; V46-F108 HydrophobicContact CG2-CZ 3.73Å; V46-H111 HydrophobicContact CG1-CB 4.25Å
47	D	97.5	Very high	98.1	Very high	136 Å²	136	47.9 Å²	47.9	73%	0.727	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	143.8	-179.7	-65	-32.4	0	0	0	111.9	Q49 H111	D47-Q49 PolarHBondContact O-N 2.99Å; D47-H111 PolarHBondContact O-CE1 3.34Å; D47-H111 VanDerWaalsContact O-CE1 3.26Å; D47-H111 PolarHBondContact O-ND1 3.46Å
48	G	97.6	Very high	98.1	Very high	78 Å²	78	46.6 Å²	46.6	80%	0.804	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	-9.8	-179.3	0	0	0	0	0	115.2
49	Q	98.6	Very high	98.1	Very high	8 Å²	8	51.4 Å²	51.4	4%	0.037	28%	0.275	C	S	.	.	S	Bend	trans	-108.1	145.7	-179.8	-63.4	-56.9	-37.6	0	0	112.1	L41 V46 D47 H111 Y114 R173	L41-Q49 HydrophobicContact CD2-CB 4.23Å; V46-Q49 HydrophobicContact CB-CB 4.43Å; V46-Q49 HydrophobicContact CG1-CB 4.09Å; V46-Q49 HydrophobicContact CG1-CG 3.97Å; V46-Q49 PolarHBondContact O-N 2.94Å; D47-Q49 PolarHBondContact O-N 2.99Å; Q49-H111 HydrophobicContact CG-CB 4.16Å; Q49-H111 PolarHBondContact NE2-O 3.43Å; Q49-Y114 PolarHBondContact NE2-O 2.95Å; Q49-R173 PolarHBondContact O-NH2 2.83Å
50	P	98.5	Very high	98.1	Very high	21 Å²	21	48.6 Å²	48.6	14%	0.136	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-73.8	148.2	169.6	31.5	-32.9	0	0	0	109.7	Y116 Y168 V170	P50-Y116 HydrophobicContact CG-CD1 3.56Å; P50-Y116 HydrophobicContact CG-CD2 3.73Å; P50-Y116 HydrophobicContact CG-CE1 4.11Å; P50-Y116 HydrophobicContact CG-CE2 4.28Å; P50-Y116 HydrophobicContact CG-CG 3.39Å; P50-Y168 HydrophobicContact CG-CE2 4.43Å; P50-Y168 WeakPolarHBondContact O-CE2 3.29Å; P50-Y168 PolarHBondContact O-OH 3.17Å; P50-V170 HydrophobicContact CB-CB 4.41Å; P50-V170 HydrophobicContact CB-CG1 3.81Å; P50-V170 HydrophobicContact CB-CG2 3.63Å; P50-V170 HydrophobicContact CG-CG2 3.58Å
51	P	98.4	Very high	98	Very high	4 Å²	4	48.3 Å²	48.3	3%	0.026	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-73	137.3	-174.7	31.2	-35.7	0	0	0	111.6	L41 C44 V170 K171 R173	L41-P51 CarbonylContact O-C 3.55Å; L41-P51 VanDerWaalsContact O-CA 3.27Å; L41-P51 WeakPolarHBondContact O-CA 3.24Å; C44-P51 HydrophobicContact CB-CB 4.04Å; C44-P51 WeakPolarHBondContact SG-CB 3.39Å; P51-V170 WeakPolarHBondContact O-CA 2.92Å; P51-K171 HydrophobicContact CB-CG 4.2Å; P51-K171 HydrophobicContact CG-CG 4.05Å; P51-K171 VanDerWaalsContact CG-O 3.29Å; P51-K171 WeakPolarHBondContact CG-O 3.49Å; P51-K171 PolarHBondContact O-N 2.97Å; P51-R173 HydrophobicContact CG-CG 4.03Å
52	A	98.7	Very high	98	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-69.3	134.6	177	0	0	0	0	0	110.4	L41 V42 Y54 M55 Y168 K171	L41-A52 HydrophobicContact CB-CB 4.05Å; L41-A52 PolarHBondContact O-N 2.83Å; V42-A52 HydrophobicContact CG2-CB 4.08Å; A52-Y54 VanDerWaalsContact C-N 3.31Å; A52-M55 HydrophobicContact CB-CE 3.74Å; A52-M55 HydrophobicContact CB-CG 4.22Å; A52-Y168 HydrophobicContact CB-CD2 3.58Å; A52-Y168 HydrophobicContact CB-CE2 3.97Å; A52-Y168 HydrophobicContact CB-CG 3.9Å; A52-K171 WeakPolarHBondContact O-CE 3.43Å
53	K	98.5	Very high	97.9	Very high	118 Å²	118	54.4 Å²	54.4	51%	0.513	29%	0.288	S	S	.	.	S	Bend	trans	-65.3	-39.2	172.4	179.6	177.3	166.9	-165.9	0	111.3	E169 K171	K53-E169 HydrophobicContact CB-CB 4.15Å; K53-E169 WeakPolarHBondContact CB-O 3.26Å; K53-E169 HydrophobicContact CD-CB 4.19Å; K53-E169 WeakPolarHBondContact CD-OE2 2.99Å; K53-E169 PolarHBondContact N-O 2.65Å; K53-E169 IonicContact NZ-OE2 2.78Å; K53-E169 PolarHBondContact NZ-OE2 3.34Å; K53-K171 HydrophobicContact CB-CB 4.05Å; K53-K171 HydrophobicContact CG-CB 4.42Å
54	Y	98	Very high	97.9	Very high	138 Å²	138	53 Å²	53	54%	0.541	28%	0.281	S	S	.	.			trans	-155.6	146.5	-178.1	175.1	-101.1	0	0	0	110.4	A52 S56	A52-Y54 VanDerWaalsContact C-N 3.31Å; Y54-S56 WeakPolarHBondContact OH-CA 3.11Å
55	M	98.4	Very high	98	Very high	17 Å²	17	51.9 Å²	51.9	8%	0.084	27%	0.274	C	S	.	.			trans	-132.2	130	165.4	-74.7	-64.5	-177.1	0	0	108.4	R38 L41 V42 A52 A131 A133 Y168	R38-M55 HydrophobicContact CB-CB 4.04Å; R38-M55 HydrophobicContact CB-CG 3.99Å; L41-M55 HydrophobicContact CB-CE 4.16Å; L41-M55 HydrophobicContact CD1-CE 3.58Å; V42-M55 HydrophobicContact CG2-CB 3.9Å; V42-M55 HydrophobicContact CG2-CG 3.69Å; A52-M55 HydrophobicContact CB-CE 3.74Å; A52-M55 HydrophobicContact CB-CG 4.22Å; M55-A131 HydrophobicContact CE-CB 4.34Å; M55-A131 WeakPolarHBondContact CE-O 3.37Å; M55-A133 HydrophobicContact SD-CB 3.9Å; M55-Y168 HydrophobicContact CE-CD1 3.59Å; M55-Y168 HydrophobicContact CE-CE1 4.33Å; M55-Y168 HydrophobicContact CE-CG 3.83Å
56	S	96.6	Very high	98	Very high	15 Å²	15	53.3 Å²	53.3	11%	0.105	28%	0.276	C	S	.	.			trans	-61.7	133.9	173.5	-176.1	0	0	0	0	110.4	R38 Y54 L58 A133 T135	R38-S56 PolarHBondContact NE-O 3.37Å; R38-S56 PolarHBondContact NH2-O 3.25Å; R38-S56 VanDerWaalsContact NH2-O 3.11Å; Y54-S56 WeakPolarHBondContact OH-CA 3.11Å; S56-L58 PolarHBondContact O-N 3.11Å; S56-L58 VanDerWaalsContact O-N 3.11Å; S56-A133 WeakPolarHBondContact CB-O 3.39Å; S56-A133 PolarHBondContact N-O 2.98Å; S56-T135 WeakPolarHBondContact CB-O 3.39Å
57	P	95.4	Very high	98	Very high	96 Å²	96	54.8 Å²	54.8	62%	0.623	28%	0.282	S	S	*	.			trans	-67.6	108.8	172.1	28.5	-32.7	0	0	0	108.4	K59	P57-K59 PolarHBondContact O-N 2.93Å
58	L	98.7	Very high	98	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.01	25%	0.248	C	C	.	.			trans	-60.4	136.2	-177.3	-64.4	-179.5	0	0	0	110.7	L31 H34 R35 S56 T135 T136 I138	L31-L58 HydrophobicContact CD1-CB 4.03Å; H34-L58 HydrophobicContact CB-CD1 3.66Å; R35-L58 HydrophobicContact CG-CB 4.35Å; R35-L58 PolarHBondContact NE-O 2.95Å; R35-L58 PolarHBondContact NH2-O 2.83Å; S56-L58 PolarHBondContact O-N 3.11Å; S56-L58 VanDerWaalsContact O-N 3.11Å; L58-T135 HydrophobicContact CD2-CG2 3.87Å; L58-T135 WeakPolarHBondContact CD2-O 3.41Å; L58-T136 WeakPolarHBondContact CA-O 3.34Å; L58-I138 HydrophobicContact CB-CG2 4.07Å; L58-I138 HydrophobicContact CD1-CB 4.33Å; L58-I138 HydrophobicContact CD1-CD1 4.39Å; L58-I138 HydrophobicContact CD1-CG2 4.14Å
59	K	98	Very high	98.1	Very high	107 Å²	107	47.7 Å²	47.7	47%	0.465	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	153.5	167.7	67.6	-175.1	179.5	-179.6	0	110.7	P57 T136 D137 I138	P57-K59 PolarHBondContact O-N 2.93Å; K59-T136 PolarHBondContact N-O 2.84Å; K59-D137 WeakPolarHBondContact CE-OD1 3.45Å; K59-D137 WeakPolarHBondContact CE-OD2 3.49Å; K59-D137 IonicContact NZ-OD1 2.71Å; K59-D137 IonicContact NZ-OD2 3.72Å; K59-D137 WeakPolarHBondContact O-CA 3.38Å; K59-I138 PolarHBondContact O-N 3.44Å
60	W	98.4	Very high	98.1	Very high	35 Å²	35	51 Å²	51	13%	0.133	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	136.5	176.1	-166.7	-103	0	0	0	111.1	L23 S27 L31 H62 A65 I138 C140	L23-W60 HydrophobicContact CD1-CB 4.01Å; L23-W60 HydrophobicContact CD1-CD2 4.11Å; L23-W60 HydrophobicContact CD1-CE3 4.35Å; L23-W60 HydrophobicContact CD1-CG 3.97Å; L23-W60 HydrophobicContact CD2-CB 4.13Å; L23-W60 HydrophobicContact CD2-CD2 4.04Å; L23-W60 HydrophobicContact CD2-CG 3.58Å; L23-W60 HydrophobicContact CG-CG 4.44Å; S27-W60 VanDerWaalsContact CB-CZ2 3.5Å; S27-W60 WeakPolarHBondContact O-CZ3 3.34Å; S27-W60 VanDerWaalsContact OG-CZ2 3.28Å; S27-W60 WeakPolarHBondContact OG-CZ2 3.42Å; L31-W60 HydrophobicContact CB-CE3 4.1Å; L31-W60 HydrophobicContact CB-CZ3 4.34Å; L31-W60 HydrophobicContact CD2-CB 4.24Å; L31-W60 HydrophobicContact CD2-CE3 4.49Å; W60-H62 AromaticContact CD1-CE1 3.96Å; W60-H62 AromaticContact CD1-NE2 3.88Å; W60-A65 HydrophobicContact CZ2-CB 3.54Å; W60-I138 CarbonylContact C-O 3.52Å; W60-I138 VanDerWaalsContact CA-O 3.31Å; W60-I138 WeakPolarHBondContact CA-O 3.24Å; W60-I138 HydrophobicContact CE3-CG2 4.31Å; W60-C140 HydrophobicContact CH2-CB 3.74Å; W60-C140 HydrophobicContact CZ3-CB 4.2Å
61	N	98	Very high	98.1	Very high	17 Å²	17	50.3 Å²	50.3	9%	0.091	24%	0.243	C	C	.	.			trans	-122.8	109.6	177	-172.7	-54.8	0	0	0	110	D63 L64 A65 Q86 D137 I138	N61-D63 VanDerWaalsContact C-N 3.31Å; N61-D63 PolarHBondContact O-N 3.46Å; N61-D63 PolarHBondContact OD1-N 2.98Å; N61-D63 VanDerWaalsContact OD1-N 3.17Å; N61-L64 HydrophobicContact CB-CB 4.12Å; N61-L64 HydrophobicContact CB-CD1 3.98Å; N61-L64 HydrophobicContact CB-CG 4.02Å; N61-L64 PolarHBondContact O-N 2.88Å; N61-L64 PolarHBondContact OD1-N 3.13Å; N61-L64 VanDerWaalsContact OD1-N 3.13Å; N61-A65 WeakPolarHBondContact O-CB 3.42Å; N61-A65 PolarHBondContact O-N 3.13Å; N61-Q86 PolarHBondContact ND2-OE1 3.2Å; N61-D137 HydrophobicContact CB-CB 3.99Å; N61-D137 PolarHBondContact ND2-OD1 3.44Å; N61-I138 PolarHBondContact N-O 2.88Å
62	H	96.9	Very high	98.1	Very high	63 Å²	63	50.1 Å²	50.1	29%	0.292	24%	0.241	S	C	.	.	H	α-helix	trans	-64.7	-31.1	-174.4	-68.3	-93.4	0	0	0	113.4	E21 W60 A65 R66	E21-H62 IonicContact OE2-CE1 3.87Å; W60-H62 AromaticContact CD1-CE1 3.96Å; W60-H62 AromaticContact CD1-NE2 3.88Å; H62-A65 PolarHBondContact O-N 3.27Å; H62-R66 WeakPolarHBondContact O-CB 3.31Å; H62-R66 PolarHBondContact O-N 3.17Å
63	D	97.5	Very high	98	Very high	87 Å²	87	55.2 Å²	55.2	47%	0.465	27%	0.268	S	S	.	.	H	α-helix	trans	-73.5	-36.8	178.3	-73.5	-23.6	0	0	0	111.9	N61 R66 Q67	N61-D63 VanDerWaalsContact C-N 3.31Å; N61-D63 PolarHBondContact O-N 3.46Å; N61-D63 PolarHBondContact OD1-N 2.98Å; N61-D63 VanDerWaalsContact OD1-N 3.17Å; D63-R66 IonicContact OD1-CZ 3.5Å; D63-R66 VanDerWaalsContact OD1-CZ 3.24Å; D63-R66 IonicContact OD1-NH1 2.74Å; D63-R66 PolarHBondContact OD1-NH1 3.34Å; D63-R66 IonicContact OD1-NH2 3.71Å; D63-R66 PolarHBondContact OD1-NH2 3.01Å; D63-Q67 PolarHBondContact O-N 3.46Å; D63-Q67 PolarHBondContact O-NE2 2.91Å; D63-Q67 VanDerWaalsContact O-NE2 3.1Å
64	L	98.6	Very high	98	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-66	-41.5	171.2	-66.7	-173.7	0	0	0	111.3	N61 Q67 A68 F87 V90 D137 N155	N61-L64 HydrophobicContact CB-CB 4.12Å; N61-L64 HydrophobicContact CB-CD1 3.98Å; N61-L64 HydrophobicContact CB-CG 4.02Å; N61-L64 PolarHBondContact O-N 2.88Å; N61-L64 PolarHBondContact OD1-N 3.13Å; N61-L64 VanDerWaalsContact OD1-N 3.13Å; L64-Q67 PolarHBondContact O-N 3.05Å; L64-A68 WeakPolarHBondContact O-CB 3.46Å; L64-A68 PolarHBondContact O-N 3.21Å; L64-F87 HydrophobicContact CD1-CD2 4.46Å; L64-F87 HydrophobicContact CD1-CE2 4.28Å; L64-V90 HydrophobicContact CD2-CG1 3.75Å; L64-V90 HydrophobicContact CD2-CG2 4.01Å; L64-D137 HydrophobicContact CD1-CB 4.22Å; L64-N155 HydrophobicContact CB-CB 4.02Å; L64-N155 HydrophobicContact CD2-CB 4.3Å; L64-N155 PolarHBondContact O-ND2 3.47Å; L64-N155 VanDerWaalsContact O-ND2 3.11Å
65	A	98.6	Very high	97.9	Very high	11 Å²	11	49.3 Å²	49.3	9%	0.091	25%	0.254	C	S	.	.	H	α-helix	trans	-64.2	-43.4	179	0	0	0	0	0	112.1	W60 N61 H62 Q67 A68 Q69 C140	W60-A65 HydrophobicContact CZ2-CB 3.54Å; N61-A65 WeakPolarHBondContact O-CB 3.42Å; N61-A65 PolarHBondContact O-N 3.13Å; H62-A65 PolarHBondContact O-N 3.27Å; A65-Q67 VanDerWaalsContact C-N 3.31Å; A65-Q67 PolarHBondContact O-N 3.03Å; A65-A68 PolarHBondContact O-N 3.48Å; A65-Q69 WeakPolarHBondContact O-CB 3.13Å; A65-Q69 PolarHBondContact O-N 3.36Å; A65-C140 WeakPolarHBondContact CB-O 3.34Å
66	R	98.2	Very high	97.8	Very high	155 Å²	155	51 Å²	51	59%	0.585	27%	0.265	S	S	*	.	H	α-helix	trans	-59.3	-42.5	177.6	-163.5	-173.1	-51.1	106.8	6.1	112	H62 D63 S70	H62-R66 WeakPolarHBondContact O-CB 3.31Å; H62-R66 PolarHBondContact O-N 3.17Å; D63-R66 IonicContact OD1-CZ 3.5Å; D63-R66 VanDerWaalsContact OD1-CZ 3.24Å; D63-R66 IonicContact OD1-NH1 2.74Å; D63-R66 PolarHBondContact OD1-NH1 3.34Å; D63-R66 IonicContact OD1-NH2 3.71Å; D63-R66 PolarHBondContact OD1-NH2 3.01Å; R66-S70 PolarHBondContact O-N 2.71Å; R66-S70 VanDerWaalsContact O-N 3.08Å
67	Q	98.5	Very high	97.8	Very high	41 Å²	41	55.6 Å²	55.6	19%	0.192	29%	0.287	C	S	.	.	H	α-helix	trans	-66.9	-45.2	175.6	-71.9	174.5	87.8	0	0	111.6	D63 L64 A65 Q69 S70 L71 Y83	D63-Q67 PolarHBondContact O-N 3.46Å; D63-Q67 PolarHBondContact O-NE2 2.91Å; D63-Q67 VanDerWaalsContact O-NE2 3.1Å; L64-Q67 PolarHBondContact O-N 3.05Å; A65-Q67 VanDerWaalsContact C-N 3.31Å; A65-Q67 PolarHBondContact O-N 3.03Å; Q67-Q69 VanDerWaalsContact C-N 3.29Å; Q67-Q69 PolarHBondContact O-N 3.27Å; Q67-S70 WeakPolarHBondContact O-CB 3.32Å; Q67-S70 PolarHBondContact O-N 2.98Å; Q67-S70 VanDerWaalsContact O-N 3.15Å; Q67-L71 PolarHBondContact O-N 3.28Å; Q67-L71 VanDerWaalsContact O-N 3.15Å; Q67-Y83 PolarHBondContact NE2-O 3.4Å; Q67-Y83 PolarHBondContact OE1-O 3.07Å
68	A	98.8	Very high	97.9	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-59.4	-41.3	176.9	0	0	0	0	0	111.9	L64 A65 L71 A72 V153 N155	L64-A68 WeakPolarHBondContact O-CB 3.46Å; L64-A68 PolarHBondContact O-N 3.21Å; A65-A68 PolarHBondContact O-N 3.48Å; A68-L71 PolarHBondContact O-N 3.49Å; A68-A72 WeakPolarHBondContact O-CB 2.95Å; A68-A72 PolarHBondContact O-N 3.12Å; A68-V153 HydrophobicContact CB-CB 4.1Å; A68-V153 HydrophobicContact CB-CG1 3.78Å; A68-N155 PolarHBondContact N-ND2 3.44Å
69	Q	98.6	Very high	97.8	Very high	66 Å²	66	62.8 Å²	62.8	31%	0.308	31%	0.313	S	S	.	.	H	α-helix	trans	-64	-39.8	176.1	-172.6	61.4	52.6	0	0	112.2	A65 Q67 L71 A72 I73 V142	A65-Q69 WeakPolarHBondContact O-CB 3.13Å; A65-Q69 PolarHBondContact O-N 3.36Å; Q67-Q69 VanDerWaalsContact C-N 3.29Å; Q67-Q69 PolarHBondContact O-N 3.27Å; Q69-L71 VanDerWaalsContact C-N 3.27Å; Q69-L71 PolarHBondContact O-N 3.05Å; Q69-A72 PolarHBondContact O-N 2.7Å; Q69-I73 HydrophobicContact CG-CD1 4.41Å; Q69-I73 WeakPolarHBondContact O-CD1 3.26Å; Q69-I73 WeakPolarHBondContact O-CG1 3.17Å; Q69-I73 PolarHBondContact O-N 3.5Å; Q69-V142 PolarHBondContact NE2-O 3.48Å; Q69-V142 PolarHBondContact OE1-O 2.81Å
70	S	98.4	Very high	97.8	Very high	76 Å²	76	60 Å²	60	53%	0.531	30%	0.303	S	S	.	.	H	α-helix	trans	-60	-38.1	175.5	-169.2	0	0	0	0	112	R66 Q67	R66-S70 PolarHBondContact O-N 2.71Å; R66-S70 VanDerWaalsContact O-N 3.08Å; Q67-S70 WeakPolarHBondContact O-CB 3.32Å; Q67-S70 PolarHBondContact O-N 2.98Å; Q67-S70 VanDerWaalsContact O-N 3.15Å
71	L	98.5	Very high	97.7	Very high	7 Å²	7	66.2 Å²	66.2	4%	0.037	33%	0.331	C	S	.	.	H	α-helix	trans	-74.9	-42	175.1	-177.6	59.1	0	0	0	112	Q67 A68 Q69 I73 N74 D80 I94 V153	Q67-L71 PolarHBondContact O-N 3.28Å; Q67-L71 VanDerWaalsContact O-N 3.15Å; A68-L71 PolarHBondContact O-N 3.49Å; Q69-L71 VanDerWaalsContact C-N 3.27Å; Q69-L71 PolarHBondContact O-N 3.05Å; L71-I73 PolarHBondContact O-N 3.19Å; L71-N74 WeakPolarHBondContact O-CB 3.36Å; L71-N74 PolarHBondContact O-N 3.13Å; L71-D80 HydrophobicContact CD1-CB 4.25Å; L71-D80 HydrophobicContact CD2-CB 4.36Å; L71-I94 HydrophobicContact CD2-CD1 3.72Å; L71-I94 HydrophobicContact CD2-CG1 4.26Å; L71-V153 HydrophobicContact CB-CG1 4.38Å; L71-V153 HydrophobicContact CB-CG2 4.23Å; L71-V153 HydrophobicContact CD2-CG1 3.99Å; L71-V153 HydrophobicContact CD2-CG2 4.16Å; L71-V153 HydrophobicContact CG-CG2 4.07Å
72	A	98.4	Very high	97.6	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-56.3	-39.1	-175.2	0	0	0	0	0	112.4	A68 Q69 N74 C75 A143 S151 V153	A68-A72 WeakPolarHBondContact O-CB 2.95Å; A68-A72 PolarHBondContact O-N 3.12Å; Q69-A72 PolarHBondContact O-N 2.7Å; A72-N74 PolarHBondContact O-N 2.9Å; A72-N74 VanDerWaalsContact O-N 3.15Å; A72-C75 PolarHBondContact O-N 2.02Å; A72-C75 VanDerWaalsContact O-N 3.15Å; A72-A143 HydrophobicContact CB-CB 4.18Å; A72-A143 WeakPolarHBondContact O-CB 3.39Å; A72-S151 WeakPolarHBondContact CA-OG 3.23Å; A72-S151 WeakPolarHBondContact O-CB 3.12Å; A72-S151 PolarHBondContact O-OG 3.36Å; A72-V153 HydrophobicContact CB-CB 4.34Å; A72-V153 HydrophobicContact CB-CG2 3.89Å
73	I	97.9	Very high	97.4	Very high	108 Å²	108	72.4 Å²	72.4	55%	0.554	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-26.7	179	-67.9	162.5	0	0	0	112.5	Q69 L71 C75 A143	Q69-I73 HydrophobicContact CG-CD1 4.41Å; Q69-I73 WeakPolarHBondContact O-CD1 3.26Å; Q69-I73 WeakPolarHBondContact O-CG1 3.17Å; Q69-I73 PolarHBondContact O-N 3.5Å; L71-I73 PolarHBondContact O-N 3.19Å; I73-C75 VanDerWaalsContact C-N 3.3Å; I73-C75 PolarHBondContact O-N 3.22Å; I73-A143 HydrophobicContact CG1-CB 4.21Å
74	N	97.1	Very high	97.4	Very high	99 Å²	99	70.3 Å²	70.3	53%	0.529	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-11.1	-177.7	-62.5	-27.9	0	0	0	113.8	L71 A72 T76	L71-N74 WeakPolarHBondContact O-CB 3.36Å; L71-N74 PolarHBondContact O-N 3.13Å; A72-N74 PolarHBondContact O-N 2.9Å; A72-N74 VanDerWaalsContact O-N 3.15Å; N74-T76 HydrophobicContact CB-CG2 4.2Å; N74-T76 VanDerWaalsContact O-CG2 3.28Å; N74-T76 WeakPolarHBondContact O-CG2 3.34Å; N74-T76 PolarHBondContact O-N 3.2Å
75	C	97.1	Very high	97.2	Very high	33 Å²	33	80.9 Å²	80.9	22%	0.223	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	29.8	178.1	-85.2	0	0	0	0	114.8	A72 I73 C145	A72-C75 PolarHBondContact O-N 2.02Å; A72-C75 VanDerWaalsContact O-N 3.15Å; I73-C75 VanDerWaalsContact C-N 3.3Å; I73-C75 PolarHBondContact O-N 3.22Å; C75-C145 HydrophobicContact CB-CB 4.31Å; C75-C145 WeakPolarHBondContact CB-SG 3.44Å; C75-C145 WeakPolarHBondContact SG-CA 3.49Å; C75-C145 WeakPolarHBondContact SG-CB 3.14Å; C75-C145 CovalentContact SG-SG 2.03Å; C75-C145 PolarHBondContact SG-SG 3.14Å
76	T	96.1	Very high	97.1	Very high	53 Å²	53	85.5 Å²	85.5	33%	0.325	41%	0.409	S	S	.	.			trans	-115.1	151.5	-177.8	71.3	0	0	0	0	111.7	N74 Q78 I94	N74-T76 HydrophobicContact CB-CG2 4.2Å; N74-T76 VanDerWaalsContact O-CG2 3.28Å; N74-T76 WeakPolarHBondContact O-CG2 3.34Å; N74-T76 PolarHBondContact O-N 3.2Å; T76-Q78 PolarHBondContact O-N 3.33Å; T76-I94 WeakPolarHBondContact O-CG2 3.39Å
77	L	96.7	Very high	97.1	Very high	110 Å²	110	79.1 Å²	79.1	58%	0.576	39%	0.386	S	S	*	.			trans	-86.7	9.6	170.4	-63.9	176.7	0	0	0	113	I94 L96	L77-I94 HydrophobicContact CD2-CG2 3.99Å; L77-L96 HydrophobicContact CD1-CD1 4.43Å; L77-L96 HydrophobicContact CD2-CB 4.4Å; L77-L96 HydrophobicContact CD2-CD1 4.1Å; L77-L96 HydrophobicContact CD2-CG 3.81Å; L77-L96 HydrophobicContact CG-CD1 3.96Å; L77-L96 HydrophobicContact CG-CG 4.24Å
78	Q	97.4	Very high	97	Very high	150 Å²	150	86.2 Å²	86.2	70%	0.701	42%	0.423	S	S	*	.			trans	-86.8	128.9	-176.7	-176.7	174.7	-20.1	0	0	110.7	T76 I94	T76-Q78 PolarHBondContact O-N 3.33Å; Q78-I94 WeakPolarHBondContact O-CD1 3.23Å
79	H	96.9	Very high	97	Very high	100 Å²	100	91.7 Å²	91.7	46%	0.463	44%	0.443	S	S	.	.			trans	-64.4	147	173.3	-71.3	-68.6	0	0	0	112.7	Q92	H79-Q92 PolarHBondContact CE1-O 2.05Å; H79-Q92 PolarHBondContact ND1-OE1 3.43Å
80	D	97	Very high	97	Very high	48 Å²	48	88.9 Å²	88.9	26%	0.257	43%	0.431	S	S	.	.			trans	-112.7	172	171.8	70.6	-10.3	0	0	0	112.9	L71 R82 Q92	L71-D80 HydrophobicContact CD1-CB 4.25Å; L71-D80 HydrophobicContact CD2-CB 4.36Å; D80-R82 PolarHBondContact O-NE 3.26Å; D80-R82 VanDerWaalsContact O-NE 3.09Å; D80-R82 PolarHBondContact O-NH2 3.01Å; D80-Q92 PolarHBondContact OD1-NE2 2.98Å
81	K	96	Very high	97	Very high	165 Å²	165	85.3 Å²	85.3	72%	0.717	41%	0.406	S	S	*	.			trans	-77	125.5	170.9	-68.8	-174.9	-179.9	-179.4	0	108.6	Y83	K81-Y83 HydrophobicContact CB-CE2 4.01Å
82	R	96.1	Very high	97	Very high	52 Å²	52	85.5 Å²	85.5	20%	0.196	41%	0.407	C	S	.	.			trans	-108.2	136.8	177.4	-66.6	140.2	-74.8	166.4	4.7	109.3	D80 V90 G91 N155	D80-R82 PolarHBondContact O-NE 3.26Å; D80-R82 VanDerWaalsContact O-NE 3.09Å; D80-R82 PolarHBondContact O-NH2 3.01Å; R82-V90 HydrophobicContact CB-CB 3.9Å; R82-V90 HydrophobicContact CB-CG1 3.93Å; R82-V90 HydrophobicContact CG-CG1 4.27Å; R82-V90 PolarHBondContact NH1-O 3.01Å; R82-G91 VanDerWaalsContact NH1-C 3.29Å; R82-N155 WeakPolarHBondContact CD-OD1 3.07Å
83	Y	93.6	Very high	97	Very high	159 Å²	159	85.6 Å²	85.6	62%	0.624	41%	0.407	S	S	*	.			trans	-118.7	138.2	179.2	-56.9	-84.9	0	0	0	109.6	Q67 K81	Q67-Y83 PolarHBondContact NE2-O 3.4Å; Q67-Y83 PolarHBondContact OE1-O 3.07Å; K81-Y83 HydrophobicContact CB-CE2 4.01Å
84	S	96.6	Very high	97	Very high	42 Å²	42	80.8 Å²	80.8	29%	0.294	38%	0.383	S	S	.	.			trans	-143.1	139.3	172.1	178.4	0	0	0	0	109.9	Q86 F87	S84-Q86 VanDerWaalsContact C-N 3.28Å; S84-Q86 PolarHBondContact OG-N 3.24Å; S84-F87 WeakPolarHBondContact CB-O 3.05Å; S84-F87 WeakPolarHBondContact OG-CD2 3.44Å; S84-F87 PolarHBondContact OG-N 2.98Å
85	K	95.5	Very high	97.1	Very high	224 Å²	224	76.6 Å²	76.6	97%	0.974	36%	0.361	S	S	*	.	S	Bend	trans	-78	-18.9	169.1	-64.8	-179.2	179.8	177.4	0	111.9
86	Q	97	Very high	97.2	Very high	107 Å²	107	76.9 Å²	76.9	50%	0.5	36%	0.361	S	S	.	.	S	Bend	trans	-100.3	-29.4	-173.3	-171.1	-175.2	0	0	0	112.5	N61 S84	N61-Q86 PolarHBondContact ND2-OE1 3.2Å; S84-Q86 VanDerWaalsContact C-N 3.28Å; S84-Q86 PolarHBondContact OG-N 3.24Å
87	F	97.7	Very high	97.3	Very high	22 Å²	22	77.2 Å²	77.2	10%	0.096	36%	0.359	C	S	.	.			trans	-126.3	128.6	-173.8	-51.3	-65.3	0	0	0	110.9	L64 S84 W89 V90 D137 P158	L64-F87 HydrophobicContact CD1-CD2 4.46Å; L64-F87 HydrophobicContact CD1-CE2 4.28Å; S84-F87 WeakPolarHBondContact CB-O 3.05Å; S84-F87 WeakPolarHBondContact OG-CD2 3.44Å; S84-F87 PolarHBondContact OG-N 2.98Å; F87-W89 VanDerWaalsContact C-N 3.27Å; F87-W89 PolarHBondContact O-N 3.33Å; F87-V90 HydrophobicContact CB-CG2 4.2Å; F87-D137 HydrophobicContact CE2-CB 3.76Å; F87-D137 HydrophobicContact CZ-CB 3.62Å; F87-D137 WeakPolarHBondContact CZ-OD2 3.4Å; F87-P158 HydrophobicContact CD1-CB 4.25Å
88	I	96.2	Very high	97.3	Very high	190 Å²	190	76.4 Å²	76.4	97%	0.974	36%	0.36	S	S	*	.	S	Bend	trans	-65.3	-35	175.6	-63.3	173.5	0	0	0	110.9
89	W	97.4	Very high	97.3	Very high	114 Å²	114	72.5 Å²	72.5	43%	0.432	35%	0.346	S	S	.	.			trans	-128.6	136.4	179.5	174.3	-122.7	0	0	0	110.1	F87 G159 G160 F162	F87-W89 VanDerWaalsContact C-N 3.27Å; F87-W89 PolarHBondContact O-N 3.33Å; W89-G159 VanDerWaalsContact CD1-C 3.42Å; W89-G159 VanDerWaalsContact CD1-CA 3.4Å; W89-G159 PolarHBondContact O-N 2.88Å; W89-G160 PolarHBondContact NE1-O 3.17Å; W89-F162 HydrophobicContact CB-CZ 4.35Å; W89-F162 AromaticContact CD1-CZ 3.85Å; W89-F162 HydrophobicContact CG-CZ 4.37Å
90	V	98.7	Very high	97.4	Very high	7 Å²	7	68 Å²	68	4%	0.042	33%	0.325	C	S	.	.			trans	-124.1	120.3	177.8	177.9	0	0	0	0	108.6	L64 R82 F87 N155 Y156	L64-V90 HydrophobicContact CD2-CG1 3.75Å; L64-V90 HydrophobicContact CD2-CG2 4.01Å; R82-V90 HydrophobicContact CB-CB 3.9Å; R82-V90 HydrophobicContact CB-CG1 3.93Å; R82-V90 HydrophobicContact CG-CG1 4.27Å; R82-V90 PolarHBondContact NH1-O 3.01Å; F87-V90 HydrophobicContact CB-CG2 4.2Å; V90-N155 HydrophobicContact CG1-CB 3.87Å; V90-Y156 CarbonylContact C-O 3.58Å; V90-Y156 VanDerWaalsContact CA-O 3.26Å; V90-Y156 WeakPolarHBondContact CA-O 3.43Å
91	G	98.6	Very high	97.5	Very high	1 Å²	1	70.5 Å²	70.5	1%	0.01	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	163.1	175	0	0	0	0	0	111.7	R82 Q129 N155 Y156	R82-G91 VanDerWaalsContact NH1-C 3.29Å; G91-Q129 VanDerWaalsContact CA-OE1 3.27Å; G91-N155 VanDerWaalsContact O-CA 3.29Å; G91-N155 WeakPolarHBondContact O-CA 3.37Å; G91-Y156 PolarHBondContact N-O 3.36Å; G91-Y156 PolarHBondContact O-N 2.8Å
92	Q	98.8	Very high	97.6	Very high	11 Å²	11	64 Å²	64	5%	0.051	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	135.9	175.5	-175.4	174.3	74.1	0	0	111.7	H79 D80 I94 V153 C154 N155	H79-Q92 PolarHBondContact CE1-O 2.05Å; H79-Q92 PolarHBondContact ND1-OE1 3.43Å; D80-Q92 PolarHBondContact OD1-NE2 2.98Å; Q92-I94 HydrophobicContact CG-CD1 4.39Å; Q92-I94 HydrophobicContact CG-CG1 3.92Å; Q92-V153 HydrophobicContact CG-CG1 4.01Å; Q92-C154 CarbonylContact C-O 3.58Å; Q92-C154 VanDerWaalsContact CA-O 3.23Å; Q92-C154 WeakPolarHBondContact CA-O 3.46Å; Q92-N155 WeakPolarHBondContact CG-OD1 3.46Å; Q92-N155 PolarHBondContact NE2-OD1 3.39Å
93	N	98.9	Very high	97.7	Very high	2 Å²	2	61.6 Å²	61.6	1%	0.011	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	140.6	167.4	-70.3	-0.7	0	0	0	108.5	W107 H126 V153 C154 Y156	N93-W107 VanDerWaalsContact C-CZ2 3.49Å; N93-W107 HydrophobicContact CB-CD2 3.85Å; N93-W107 HydrophobicContact CB-CE3 4.02Å; N93-W107 HydrophobicContact CB-CH2 3.77Å; N93-W107 HydrophobicContact CB-CZ2 3.58Å; N93-W107 HydrophobicContact CB-CZ3 3.99Å; N93-H126 PolarHBondContact ND2-O 3.38Å; N93-V153 WeakPolarHBondContact O-CA 3.28Å; N93-C154 PolarHBondContact N-O 2.6Å; N93-C154 PolarHBondContact O-N 3.07Å; N93-Y156 HydrophobicContact CB-CE2 3.88Å; N93-Y156 PolarHBondContact ND2-OH 3.01Å; N93-Y156 VanDerWaalsContact ND2-OH 3.17Å
94	I	98.7	Very high	98	Very high	8 Å²	8	54 Å²	54	4%	0.041	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	135.5	179.6	-48.7	171.6	0	0	0	109	L71 T76 L77 Q78 Q92 W107 I152 V153	L71-I94 HydrophobicContact CD2-CD1 3.72Å; L71-I94 HydrophobicContact CD2-CG1 4.26Å; T76-I94 WeakPolarHBondContact O-CG2 3.39Å; L77-I94 HydrophobicContact CD2-CG2 3.99Å; Q78-I94 WeakPolarHBondContact O-CD1 3.23Å; Q92-I94 HydrophobicContact CG-CD1 4.39Å; Q92-I94 HydrophobicContact CG-CG1 3.92Å; I94-W107 VanDerWaalsContact C-CZ2 3.45Å; I94-W107 PolarHBondContact O-NE1 3.19Å; I94-I152 WeakPolarHBondContact CA-O 3.41Å; I94-V153 HydrophobicContact CG1-CG2 4.44Å; I94-V153 HydrophobicContact CG2-CG2 4.1Å
95	A	98.3	Very high	98.1	Very high	10 Å²	10	53.4 Å²	53.4	8%	0.083	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	147	177.4	0	0	0	0	0	111	W107 I152	A95-W107 HydrophobicContact CB-CZ2 3.53Å; A95-I152 PolarHBondContact N-O 3.29Å; A95-I152 PolarHBondContact O-N 2.91Å
96	L	98.4	Very high	98.2	Very high	40 Å²	40	44.6 Å²	44.6	21%	0.209	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	110	164.6	-68.5	174.8	0	0	0	107.1	L77 C145 Y148 L150	L77-L96 HydrophobicContact CD1-CD1 4.43Å; L77-L96 HydrophobicContact CD2-CB 4.4Å; L77-L96 HydrophobicContact CD2-CD1 4.1Å; L77-L96 HydrophobicContact CD2-CG 3.81Å; L77-L96 HydrophobicContact CG-CD1 3.96Å; L77-L96 HydrophobicContact CG-CG 4.24Å; L96-C145 HydrophobicContact CD2-CB 4.44Å; L96-Y148 HydrophobicContact CB-CG 4.22Å; L96-Y148 HydrophobicContact CD1-CD1 4.37Å; L96-Y148 HydrophobicContact CD1-CD2 3.8Å; L96-Y148 HydrophobicContact CD1-CE2 4.07Å; L96-Y148 HydrophobicContact CD1-CG 3.97Å; L96-Y148 HydrophobicContact CD2-CD2 4.24Å; L96-Y148 HydrophobicContact CD2-CG 4.47Å; L96-Y148 HydrophobicContact CG-CD2 4.48Å; L96-Y148 HydrophobicContact CG-CG 4.46Å; L96-L150 CarbonylContact C-O 3.57Å; L96-L150 VanDerWaalsContact CA-O 3.31Å; L96-L150 WeakPolarHBondContact CA-O 3.49Å
97	H	98.2	Very high	98.3	Very high	60 Å²	60	39.8 Å²	39.8	28%	0.278	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	150.2	-171.6	-135.5	-84	0	0	0	112	T99 S102 Y148 L150 I152	H97-T99 VanDerWaalsContact C-N 3.27Å; H97-T99 PolarHBondContact O-N 2.81Å; H97-S102 WeakPolarHBondContact CE1-CB 3.4Å; H97-S102 PolarHBondContact CE1-OG 3.02Å; H97-S102 VanDerWaalsContact ND1-C 3.33Å; H97-S102 WeakPolarHBondContact ND1-CB 3.34Å; H97-S102 PolarHBondContact ND1-OG 3.36Å; H97-Y148 CarbonylContact C-O 3.42Å; H97-L150 PolarHBondContact N-O 2.63Å; H97-L150 WeakPolarHBondContact O-CA 3.25Å; H97-L150 WeakPolarHBondContact O-CB 3.45Å; H97-L150 PolarHBondContact O-N 2.48Å; H97-I152 HydrophobicContact CB-CD1 4.34Å
98	P	97.6	Very high	98.4	Very high	92 Å²	92	39.3 Å²	39.3	60%	0.597	21%	0.209	S	C	*	.	S	Bend	trans	-56.9	-32.3	-179.4	-32.9	38.4	0	0	0	116.1
99	T	98	Very high	98.5	Very high	69 Å²	69	33.5 Å²	33.5	42%	0.423	18%	0.18	S	C	.	.	S	Bend	trans	-141.6	158.8	-180	70.6	0	0	0	0	111.6	H97 K101 S102 G103	H97-T99 VanDerWaalsContact C-N 3.27Å; H97-T99 PolarHBondContact O-N 2.81Å; T99-K101 PolarHBondContact O-N 3.27Å; T99-S102 PolarHBondContact N-OG 3.15Å; T99-S102 VanDerWaalsContact N-OG 3.12Å; T99-S102 PolarHBondContact O-N 3.16Å; T99-S102 PolarHBondContact O-OG 3.04Å; T99-S102 WeakPolarHBondContact OG1-CB 3.31Å; T99-S102 PolarHBondContact OG1-N 2.7Å; T99-S102 VanDerWaalsContact OG1-N 3.15Å; T99-S102 PolarHBondContact OG1-OG 3.27Å; T99-G103 PolarHBondContact O-N 3.38Å
100	I	98.7	Very high	98.6	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.021	17%	0.166	C	C	.	.	H	α-helix	trans	-51.9	-57.1	172.7	-73.2	170.7	0	0	0	110.6	N26 E29 L30 L33 S102 G103 V104 V142 L150	N26-I100 HydrophobicContact CB-CD1 3.52Å; E29-I100 HydrophobicContact CB-CG2 4.35Å; E29-I100 HydrophobicContact CG-CG2 3.81Å; L30-I100 HydrophobicContact CD1-CD1 4.44Å; L30-I100 HydrophobicContact CD2-CG2 3.62Å; L30-I100 HydrophobicContact CG-CD1 4.45Å; L30-I100 HydrophobicContact CG-CG2 3.69Å; L33-I100 HydrophobicContact CD1-CG2 3.87Å; I100-S102 VanDerWaalsContact C-N 3.3Å; I100-S102 PolarHBondContact O-N 2.97Å; I100-G103 PolarHBondContact O-N 2.85Å; I100-G103 VanDerWaalsContact O-N 3.14Å; I100-V104 HydrophobicContact CG2-CG2 4.32Å; I100-V104 WeakPolarHBondContact O-CG2 3.49Å; I100-V104 PolarHBondContact O-N 3.04Å; I100-V142 HydrophobicContact CD1-CG2 4.07Å; I100-V142 HydrophobicContact CG1-CG1 4.5Å; I100-V142 HydrophobicContact CG1-CG2 4.19Å; I100-L150 HydrophobicContact CG1-CD1 4.03Å
101	K	98.7	Very high	98.6	Very high	101 Å²	101	30.2 Å²	30.2	44%	0.439	17%	0.168	S	C	.	.	H	α-helix	trans	-49.6	-50.8	178.6	-174.2	-178.9	-173.4	-57.6	0	112.3	L33 T99 G103 V104 D105	L33-K101 HydrophobicContact CD1-CB 4.32Å; L33-K101 HydrophobicContact CD2-CG 4.41Å; T99-K101 PolarHBondContact O-N 3.27Å; K101-G103 VanDerWaalsContact C-N 3.35Å; K101-G103 PolarHBondContact O-N 2.94Å; K101-V104 PolarHBondContact O-N 3.41Å; K101-D105 IonicContact NZ-OD1 2.82Å; K101-D105 IonicContact NZ-OD2 2.8Å; K101-D105 PolarHBondContact NZ-OD2 2.89Å; K101-D105 VanDerWaalsContact O-CB 3.25Å; K101-D105 WeakPolarHBondContact O-CB 3.49Å; K101-D105 PolarHBondContact O-N 2.85Å
102	S	98.4	Very high	98.6	Very high	30 Å²	30	37 Å²	37	21%	0.21	20%	0.198	C	C	.	.	H	α-helix	trans	-68.6	-32.1	-175.3	58.6	0	0	0	0	113.2	H97 T99 I100 A106	H97-S102 WeakPolarHBondContact CE1-CB 3.4Å; H97-S102 PolarHBondContact CE1-OG 3.02Å; H97-S102 VanDerWaalsContact ND1-C 3.33Å; H97-S102 WeakPolarHBondContact ND1-CB 3.34Å; H97-S102 PolarHBondContact ND1-OG 3.36Å; T99-S102 PolarHBondContact N-OG 3.15Å; T99-S102 VanDerWaalsContact N-OG 3.12Å; T99-S102 PolarHBondContact O-N 3.16Å; T99-S102 PolarHBondContact O-OG 3.04Å; T99-S102 WeakPolarHBondContact OG1-CB 3.31Å; T99-S102 PolarHBondContact OG1-N 2.7Å; T99-S102 VanDerWaalsContact OG1-N 3.15Å; T99-S102 PolarHBondContact OG1-OG 3.27Å; I100-S102 VanDerWaalsContact C-N 3.3Å; I100-S102 PolarHBondContact O-N 2.97Å; S102-A106 WeakPolarHBondContact O-CB 3.43Å; S102-A106 PolarHBondContact O-N 2.83Å
103	G	98.6	Very high	98.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-68.8	-45.5	171.6	0	0	0	0	0	113.3	T99 I100 K101 D105 A106 W107	T99-G103 PolarHBondContact O-N 3.38Å; I100-G103 PolarHBondContact O-N 2.85Å; I100-G103 VanDerWaalsContact O-N 3.14Å; K101-G103 VanDerWaalsContact C-N 3.35Å; K101-G103 PolarHBondContact O-N 2.94Å; G103-D105 VanDerWaalsContact C-N 3.34Å; G103-A106 WeakPolarHBondContact O-CB 3.35Å; G103-A106 PolarHBondContact O-N 3.14Å; G103-W107 PolarHBondContact O-N 2.87Å; G103-W107 VanDerWaalsContact O-N 3.13Å
104	V	98.9	Very high	98.5	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-67.2	-37.4	176.9	-176.8	0	0	0	0	111.3	L30 L33 Y37 I100 K101 A106 W107 F108 M130	L30-V104 HydrophobicContact CD2-CG2 3.65Å; L33-V104 HydrophobicContact CB-CB 4.5Å; L33-V104 HydrophobicContact CB-CG1 3.95Å; L33-V104 HydrophobicContact CD1-CB 4.13Å; L33-V104 HydrophobicContact CD1-CG1 4.47Å; L33-V104 HydrophobicContact CD1-CG2 4.1Å; Y37-V104 HydrophobicContact CD2-CG1 4.02Å; Y37-V104 HydrophobicContact CE2-CG1 3.94Å; I100-V104 HydrophobicContact CG2-CG2 4.32Å; I100-V104 WeakPolarHBondContact O-CG2 3.49Å; I100-V104 PolarHBondContact O-N 3.04Å; K101-V104 PolarHBondContact O-N 3.41Å; V104-A106 VanDerWaalsContact C-N 3.33Å; V104-W107 HydrophobicContact CG2-CE3 4.35Å; V104-W107 HydrophobicContact CG2-CZ3 4.25Å; V104-W107 PolarHBondContact O-N 3.11Å; V104-F108 WeakPolarHBondContact O-CB 3.27Å; V104-F108 PolarHBondContact O-N 3.22Å; V104-M130 HydrophobicContact CG1-CE 3.51Å; V104-M130 HydrophobicContact CG1-SD 4.5Å
105	D	98.8	Very high	98.5	Very high	29 Å²	29	44.1 Å²	44.1	16%	0.155	24%	0.235	C	C	.	.	H	α-helix	trans	-61.5	-41.8	172.6	-69.8	0.9	0	0	0	110.8	Y37 K101 G103 F108 N109	Y37-D105 PolarHBondContact OH-OD1 3.18Å; K101-D105 IonicContact NZ-OD1 2.82Å; K101-D105 IonicContact NZ-OD2 2.8Å; K101-D105 PolarHBondContact NZ-OD2 2.89Å; K101-D105 VanDerWaalsContact O-CB 3.25Å; K101-D105 WeakPolarHBondContact O-CB 3.49Å; K101-D105 PolarHBondContact O-N 2.85Å; G103-D105 VanDerWaalsContact C-N 3.34Å; D105-F108 PolarHBondContact O-N 3.39Å; D105-N109 WeakPolarHBondContact O-CB 3.46Å; D105-N109 VanDerWaalsContact O-CG 3.27Å; D105-N109 PolarHBondContact O-N 3.14Å; D105-N109 PolarHBondContact O-ND2 3Å
106	A	98.7	Very high	98.5	Very high	40 Å²	40	45.1 Å²	45.1	33%	0.331	24%	0.237	S	C	.	.	H	α-helix	trans	-60.5	-48.9	178	0	0	0	0	0	111.1	S102 G103 V104 F108 N109	S102-A106 WeakPolarHBondContact O-CB 3.43Å; S102-A106 PolarHBondContact O-N 2.83Å; G103-A106 WeakPolarHBondContact O-CB 3.35Å; G103-A106 PolarHBondContact O-N 3.14Å; V104-A106 VanDerWaalsContact C-N 3.33Å; A106-F108 PolarHBondContact O-N 3.38Å; A106-N109 PolarHBondContact O-N 3.43Å
107	W	98.9	Very high	98.5	Very high	6 Å²	6	49.7 Å²	49.7	2%	0.023	26%	0.262	C	S	.	.	H	α-helix	trans	-58.1	-47	174.2	-66.3	-27.9	0	0	0	112.4	N93 I94 A95 G103 V104 E110 H126 Y127 M130 I152 C154	N93-W107 VanDerWaalsContact C-CZ2 3.49Å; N93-W107 HydrophobicContact CB-CD2 3.85Å; N93-W107 HydrophobicContact CB-CE3 4.02Å; N93-W107 HydrophobicContact CB-CH2 3.77Å; N93-W107 HydrophobicContact CB-CZ2 3.58Å; N93-W107 HydrophobicContact CB-CZ3 3.99Å; I94-W107 VanDerWaalsContact C-CZ2 3.45Å; I94-W107 PolarHBondContact O-NE1 3.19Å; A95-W107 HydrophobicContact CB-CZ2 3.53Å; G103-W107 PolarHBondContact O-N 2.87Å; G103-W107 VanDerWaalsContact O-N 3.13Å; V104-W107 HydrophobicContact CG2-CE3 4.35Å; V104-W107 HydrophobicContact CG2-CZ3 4.25Å; V104-W107 PolarHBondContact O-N 3.11Å; W107-E110 WeakPolarHBondContact O-CB 3.42Å; W107-E110 PolarHBondContact O-N 2.73Å; W107-H126 HydrophobicContact CB-CB 3.65Å; W107-H126 VanDerWaalsContact CD1-CB 3.42Å; W107-H126 AromaticContact CD1-CD2 3.75Å; W107-H126 AromaticContact CD1-CG 3.33Å; W107-H126 AromaticContact CD1-ND1 3.64Å; W107-H126 HydrophobicContact CG-CB 3.63Å; W107-H126 AromaticContact NE1-CD2 3.73Å; W107-H126 AromaticContact NE1-CG 3.81Å; W107-Y127 WeakPolarHBondContact O-CA 3.35Å; W107-Y127 WeakPolarHBondContact O-CB 2.98Å; W107-Y127 PolarHBondContact O-N 3.29Å; W107-M130 HydrophobicContact CB-SD 3.49Å; W107-M130 WeakPolarHBondContact CB-SD 3.26Å; W107-M130 HydrophobicContact CE3-SD 4.27Å; W107-M130 HydrophobicContact CG-SD 4.49Å; W107-I152 HydrophobicContact CH2-CB 4.39Å; W107-I152 HydrophobicContact CH2-CG2 3.78Å; W107-I152 HydrophobicContact CZ3-CG2 4.35Å; W107-C154 HydrophobicContact CH2-CB 4.34Å; W107-C154 HydrophobicContact CZ3-CB 4.28Å
108	F	98.9	Very high	98.5	Very high	12 Å²	12	51.4 Å²	51.4	5%	0.053	28%	0.276	C	S	.	.	H	α-helix	trans	-69.8	-36.3	-176.6	-166.7	-109.2	0	0	0	112.5	Y37 L41 V46 V104 D105 A106 E110 H111 Y127 M130	Y37-F108 AromaticContact CD1-CD1 3.35Å; Y37-F108 HydrophobicContact CD1-CD1 3.35Å; Y37-F108 HydrophobicContact CD1-CD2 4.32Å; Y37-F108 AromaticContact CD1-CE1 3.41Å; Y37-F108 HydrophobicContact CD1-CE1 3.41Å; Y37-F108 VanDerWaalsContact CD1-CE1 3.41Å; Y37-F108 HydrophobicContact CD1-CE2 4.38Å; Y37-F108 AromaticContact CD1-CG 3.81Å; Y37-F108 HydrophobicContact CD1-CG 3.81Å; Y37-F108 AromaticContact CD1-CZ 3.93Å; Y37-F108 HydrophobicContact CD1-CZ 3.93Å; Y37-F108 HydrophobicContact CD2-CB 4.04Å; Y37-F108 HydrophobicContact CD2-CD1 4.32Å; Y37-F108 HydrophobicContact CD2-CD2 4.34Å; Y37-F108 AromaticContact CD2-CG 3.97Å; Y37-F108 HydrophobicContact CD2-CG 3.97Å; Y37-F108 AromaticContact CE1-CD1 3.7Å; Y37-F108 HydrophobicContact CE1-CD1 3.7Å; Y37-F108 HydrophobicContact CE1-CE1 4.06Å; Y37-F108 HydrophobicContact CE1-CG 4.31Å; Y37-F108 HydrophobicContact CE2-CB 4.19Å; Y37-F108 HydrophobicContact CE2-CG 4.43Å; Y37-F108 HydrophobicContact CG-CB 4.25Å; Y37-F108 AromaticContact CG-CD1 3.72Å; Y37-F108 HydrophobicContact CG-CD1 3.72Å; Y37-F108 AromaticContact CG-CD2 3.88Å; Y37-F108 HydrophobicContact CG-CD2 3.88Å; Y37-F108 AromaticContact CG-CE1 3.95Å; Y37-F108 HydrophobicContact CG-CE1 3.95Å; Y37-F108 HydrophobicContact CG-CE2 4.11Å; Y37-F108 AromaticContact CG-CG 3.66Å; Y37-F108 HydrophobicContact CG-CG 3.66Å; Y37-F108 HydrophobicContact CG-CZ 4.11Å; L41-F108 HydrophobicContact CD1-CE2 4.22Å; L41-F108 HydrophobicContact CD1-CZ 4.47Å; L41-F108 HydrophobicContact CG-CZ 4.28Å; V46-F108 HydrophobicContact CG1-CE1 4.38Å; V46-F108 HydrophobicContact CG1-CZ 4.39Å; V46-F108 HydrophobicContact CG2-CE1 3.98Å; V46-F108 HydrophobicContact CG2-CZ 3.73Å; V104-F108 WeakPolarHBondContact O-CB 3.27Å; V104-F108 PolarHBondContact O-N 3.22Å; D105-F108 PolarHBondContact O-N 3.39Å; A106-F108 PolarHBondContact O-N 3.38Å; F108-E110 PolarHBondContact O-N 3.15Å; F108-E110 VanDerWaalsContact O-N 3.11Å; F108-H111 WeakPolarHBondContact O-CB 2.98Å; F108-H111 PolarHBondContact O-CD2 2.84Å; F108-H111 PolarHBondContact O-N 3.11Å; F108-Y127 AromaticContact CD2-CD2 3.92Å; F108-Y127 HydrophobicContact CD2-CD2 3.92Å; F108-Y127 HydrophobicContact CD2-CE2 4.23Å; F108-Y127 HydrophobicContact CE2-CD2 4.02Å; F108-Y127 AromaticContact CE2-CE2 3.84Å; F108-Y127 HydrophobicContact CE2-CE2 3.84Å; F108-Y127 HydrophobicContact CZ-CE2 4.39Å; F108-Y127 WeakPolarHBondContact O-CD2 3.44Å; F108-M130 HydrophobicContact CB-CE 4.01Å; F108-M130 HydrophobicContact CB-SD 4.14Å; F108-M130 HydrophobicContact CD2-CE 4.07Å; F108-M130 HydrophobicContact CD2-SD 4.44Å; F108-M130 HydrophobicContact CG-CE 4.44Å
109	N	98.8	Very high	98.5	Very high	68 Å²	68	49 Å²	49	36%	0.364	26%	0.259	S	S	.	.	H	α-helix	trans	-61.8	-16.7	178.2	-86	-58.7	0	0	0	113.6	D105 A106 H111 K112	D105-N109 WeakPolarHBondContact O-CB 3.46Å; D105-N109 VanDerWaalsContact O-CG 3.27Å; D105-N109 PolarHBondContact O-N 3.14Å; D105-N109 PolarHBondContact O-ND2 3Å; A106-N109 PolarHBondContact O-N 3.43Å; N109-H111 PolarHBondContact O-N 3.36Å; N109-H111 VanDerWaalsContact O-N 3.08Å; N109-K112 WeakPolarHBondContact O-CG 3.38Å; N109-K112 PolarHBondContact O-N 2.95Å; N109-K112 VanDerWaalsContact O-N 3.14Å; N109-K112 PolarHBondContact OD1-NZ 3.37Å
110	E	98.8	Very high	98.4	Very high	33 Å²	33	50.2 Å²	50.2	15%	0.154	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-61.7	-10.7	169.9	-62.4	177.5	179.7	0	0	113.2	W107 F108 K112 L113 Y114 C124 L125 H126 Y127	W107-E110 WeakPolarHBondContact O-CB 3.42Å; W107-E110 PolarHBondContact O-N 2.73Å; F108-E110 PolarHBondContact O-N 3.15Å; F108-E110 VanDerWaalsContact O-N 3.11Å; E110-K112 PolarHBondContact O-N 3.26Å; E110-L113 WeakPolarHBondContact O-CA 3.49Å; E110-L113 WeakPolarHBondContact O-CB 3.5Å; E110-L113 PolarHBondContact O-N 2.8Å; E110-Y114 PolarHBondContact O-N 3.36Å; E110-C124 HydrophobicContact CB-CB 4.04Å; E110-C124 WeakPolarHBondContact OE2-CA 3.38Å; E110-L125 PolarHBondContact OE2-N 3.32Å; E110-H126 IonicContact OE1-CE1 2.84Å; E110-H126 IonicContact OE1-CG 3.94Å; E110-H126 IonicContact OE1-ND1 2.62Å; E110-H126 PolarHBondContact OE1-ND1 3.03Å; E110-H126 VanDerWaalsContact OE2-CB 3.26Å; E110-H126 WeakPolarHBondContact OE2-CB 3.25Å; E110-H126 IonicContact OE2-CG 3.61Å; E110-H126 PolarHBondContact OE2-N 2.87Å; E110-H126 IonicContact OE2-ND1 3.24Å; E110-H126 PolarHBondContact OE2-ND1 2.85Å; E110-Y127 PolarHBondContact OE2-N 3.38Å
111	H	98.7	Very high	98.3	Very high	18 Å²	18	51.6 Å²	51.6	8%	0.083	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-52.1	-26.6	168.2	82.4	86.7	0	0	0	112.7	V46 D47 Q49 F108 N109 L113 Y114 Y127	V46-H111 HydrophobicContact CG1-CB 4.25Å; D47-H111 PolarHBondContact O-CE1 3.34Å; D47-H111 VanDerWaalsContact O-CE1 3.26Å; D47-H111 PolarHBondContact O-ND1 3.46Å; Q49-H111 HydrophobicContact CG-CB 4.16Å; Q49-H111 PolarHBondContact NE2-O 3.43Å; F108-H111 WeakPolarHBondContact O-CB 2.98Å; F108-H111 PolarHBondContact O-CD2 2.84Å; F108-H111 PolarHBondContact O-N 3.11Å; N109-H111 PolarHBondContact O-N 3.36Å; N109-H111 VanDerWaalsContact O-N 3.08Å; H111-L113 PolarHBondContact O-N 3.44Å; H111-Y114 PolarHBondContact O-N 2.96Å; H111-Y127 HydrophobicContact CB-CD1 4.19Å; H111-Y127 HydrophobicContact CB-CD2 3.49Å; H111-Y127 VanDerWaalsContact CB-CD2 3.49Å; H111-Y127 HydrophobicContact CB-CE1 4.09Å; H111-Y127 HydrophobicContact CB-CE2 3.36Å; H111-Y127 HydrophobicContact CB-CG 3.91Å
112	K	98.5	Very high	98.2	Very high	145 Å²	145	51 Å²	51	63%	0.63	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-71.5	-20.9	177.8	-62.8	167.9	-176.5	161.3	0	112.7	N109 E110	N109-K112 WeakPolarHBondContact O-CG 3.38Å; N109-K112 PolarHBondContact O-N 2.95Å; N109-K112 VanDerWaalsContact O-N 3.14Å; N109-K112 PolarHBondContact OD1-NZ 3.37Å; E110-K112 PolarHBondContact O-N 3.26Å
113	L	98.4	Very high	98.1	Very high	87 Å²	87	56.4 Å²	56.4	46%	0.455	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-100	-5.4	-179.2	-56.5	177.4	0	0	0	112.2	E110 H111 P122 Q123 C124	E110-L113 WeakPolarHBondContact O-CA 3.49Å; E110-L113 WeakPolarHBondContact O-CB 3.5Å; E110-L113 PolarHBondContact O-N 2.8Å; H111-L113 PolarHBondContact O-N 3.44Å; L113-P122 WeakPolarHBondContact O-CD 3.41Å; L113-Q123 HydrophobicContact CD1-CB 4.08Å; L113-Q123 WeakPolarHBondContact CD1-O 3.37Å; L113-C124 HydrophobicContact CB-CB 4.31Å
114	Y	98.6	Very high	98.1	Very high	9 Å²	9	56.4 Å²	56.4	4%	0.035	30%	0.301	C	S	.	.			trans	-96.7	127.6	179.2	-179.2	-120.7	0	0	0	111.7	Q49 E110 H111 Y116 N119 N120 C121 C124 Y127 T128 P167	Q49-Y114 PolarHBondContact NE2-O 2.95Å; E110-Y114 PolarHBondContact O-N 3.36Å; H111-Y114 PolarHBondContact O-N 2.96Å; Y114-Y116 AromaticContact CE1-CD2 3.83Å; Y114-Y116 HydrophobicContact CE1-CD2 3.83Å; Y114-Y116 HydrophobicContact CE1-CG 4.22Å; Y114-N119 PolarHBondContact OH-OD1 3.04Å; Y114-N120 WeakPolarHBondContact CD2-O 3.38Å; Y114-C121 HydrophobicContact CD2-CB 4.06Å; Y114-C124 WeakPolarHBondContact CB-SG 3.5Å; Y114-C124 WeakPolarHBondContact CD2-SG 3.38Å; Y114-Y127 HydrophobicContact CD1-CD1 4.24Å; Y114-Y127 AromaticContact CD1-CE1 3.54Å; Y114-Y127 HydrophobicContact CD1-CE1 3.54Å; Y114-Y127 HydrophobicContact CE1-CE1 4.28Å; Y114-Y127 HydrophobicContact CG-CD1 4.23Å; Y114-Y127 AromaticContact CG-CE1 3.98Å; Y114-Y127 HydrophobicContact CG-CE1 3.98Å; Y114-T128 HydrophobicContact CD2-CG2 3.87Å; Y114-T128 HydrophobicContact CE2-CG2 3.95Å; Y114-T128 HydrophobicContact CG-CG2 4.18Å; Y114-P167 HydrophobicContact CE1-CG 4.14Å; Y114-P167 WeakPolarHBondContact OH-CD 3.38Å
115	N	98.3	Very high	98	Very high	73 Å²	73	61.3 Å²	61.3	39%	0.39	33%	0.326	S	S	.	.	B	Isolated β-bridge	trans	-102.3	103.7	170.1	-177.1	-47.4	0	0	0	109.9	N117 T118 N119 N120	N115-N117 VanDerWaalsContact C-N 3.33Å; N115-N117 PolarHBondContact O-N 3.45Å; N115-N117 PolarHBondContact OD1-N 2.95Å; N115-N117 VanDerWaalsContact OD1-N 3.11Å; N115-T118 WeakPolarHBondContact CB-OG1 3.4Å; N115-T118 PolarHBondContact OD1-N 3.37Å; N115-T118 PolarHBondContact OD1-OG1 2.76Å; N115-N119 VanDerWaalsContact O-CA 3.29Å; N115-N119 WeakPolarHBondContact O-CA 3.47Å; N115-N119 PolarHBondContact O-N 3.19Å; N115-N120 HydrophobicContact CB-CB 4.37Å; N115-N120 PolarHBondContact N-O 2.94Å; N115-N120 PolarHBondContact O-N 3.4Å
116	Y	98.5	Very high	98	Very high	31 Å²	31	62.3 Å²	62.3	12%	0.122	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-41.5	-178.1	-174.2	-79.6	0	0	0	113	P50 Y114 T118 N119 K166 Y168 V170	P50-Y116 HydrophobicContact CG-CD1 3.56Å; P50-Y116 HydrophobicContact CG-CD2 3.73Å; P50-Y116 HydrophobicContact CG-CE1 4.11Å; P50-Y116 HydrophobicContact CG-CE2 4.28Å; P50-Y116 HydrophobicContact CG-CG 3.39Å; Y114-Y116 AromaticContact CE1-CD2 3.83Å; Y114-Y116 HydrophobicContact CE1-CD2 3.83Å; Y114-Y116 HydrophobicContact CE1-CG 4.22Å; Y116-T118 PolarHBondContact O-N 3.1Å; Y116-N119 PolarHBondContact O-N 3.31Å; Y116-K166 HydrophobicContact CD1-CD 3.97Å; Y116-K166 HydrophobicContact CE1-CD 3.44Å; Y116-K166 VanDerWaalsContact CE1-CD 3.44Å; Y116-K166 HydrophobicContact CE2-CB 4.17Å; Y116-K166 HydrophobicContact CE2-CD 4.05Å; Y116-K166 HydrophobicContact CG-CD 4.44Å; Y116-K166 VanDerWaalsContact CZ-CD 3.44Å; Y116-K166 WeakPolarHBondContact O-CD 3.49Å; Y116-K166 WeakPolarHBondContact O-CE 3.49Å; Y116-Y168 HydrophobicContact CD2-CE1 4.32Å; Y116-Y168 AromaticContact CD2-CE2 3.98Å; Y116-Y168 HydrophobicContact CD2-CE2 3.98Å; Y116-Y168 AromaticContact CD2-CZ 3.8Å; Y116-Y168 AromaticContact CE2-CD2 3.86Å; Y116-Y168 HydrophobicContact CE2-CD2 3.86Å; Y116-Y168 HydrophobicContact CE2-CE1 4.27Å; Y116-Y168 AromaticContact CE2-CE2 3.58Å; Y116-Y168 HydrophobicContact CE2-CE2 3.58Å; Y116-Y168 HydrophobicContact CE2-CG 4.36Å; Y116-Y168 AromaticContact CE2-CZ 3.81Å; Y116-Y168 WeakPolarHBondContact CE2-O 3.39Å; Y116-Y168 PolarHBondContact OH-O 2.99Å; Y116-V170 HydrophobicContact CD1-CG2 4.17Å; Y116-V170 HydrophobicContact CE1-CG2 3.42Å; Y116-V170 VanDerWaalsContact CE1-CG2 3.42Å; Y116-V170 HydrophobicContact CE2-CG2 3.99Å; Y116-V170 WeakPolarHBondContact OH-CG2 3.2Å
117	N	97.3	Very high	98	Very high	137 Å²	137	60.4 Å²	60.4	73%	0.733	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-46	-173.9	-67.6	-22.7	0	0	0	112	N115	N115-N117 VanDerWaalsContact C-N 3.33Å; N115-N117 PolarHBondContact O-N 3.45Å; N115-N117 PolarHBondContact OD1-N 2.95Å; N115-N117 VanDerWaalsContact OD1-N 3.11Å
118	T	97.7	Very high	98	Very high	95 Å²	95	60.5 Å²	60.5	58%	0.583	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-9.5	179.3	58.2	0	0	0	0	113.2	N115 Y116 N120	N115-T118 WeakPolarHBondContact CB-OG1 3.4Å; N115-T118 PolarHBondContact OD1-N 3.37Å; N115-T118 PolarHBondContact OD1-OG1 2.76Å; Y116-T118 PolarHBondContact O-N 3.1Å; T118-N120 PolarHBondContact O-N 3.5Å; T118-N120 WeakPolarHBondContact OG1-CB 3.41Å; T118-N120 PolarHBondContact OG1-N 3.47Å
119	N	97.4	Very high	98	Very high	43 Å²	43	60 Å²	60	23%	0.23	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	26.6	-168.5	-158.1	30.7	0	0	0	113.2	Y114 N115 Y116 E165 K166	Y114-N119 PolarHBondContact OH-OD1 3.04Å; N115-N119 VanDerWaalsContact O-CA 3.29Å; N115-N119 WeakPolarHBondContact O-CA 3.47Å; N115-N119 PolarHBondContact O-N 3.19Å; Y116-N119 PolarHBondContact O-N 3.31Å; N119-E165 PolarHBondContact ND2-O 3.3Å; N119-E165 VanDerWaalsContact ND2-O 3.08Å; N119-K166 HydrophobicContact CB-CG 4.28Å
120	N	97.7	Very high	98	Very high	93 Å²	93	57 Å²	57	50%	0.497	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-82.1	130.6	-179.9	-177	51	0	0	0	110.8	Y114 N115 T118	Y114-N120 WeakPolarHBondContact CD2-O 3.38Å; N115-N120 HydrophobicContact CB-CB 4.37Å; N115-N120 PolarHBondContact N-O 2.94Å; N115-N120 PolarHBondContact O-N 3.4Å; T118-N120 PolarHBondContact O-N 3.5Å; T118-N120 WeakPolarHBondContact OG1-CB 3.41Å; T118-N120 PolarHBondContact OG1-N 3.47Å
121	C	96.2	Very high	98	Very high	33 Å²	33	55.4 Å²	55.4	22%	0.223	29%	0.289	C	S	.	.			trans	-142	79.9	-174.4	-174.6	0	0	0	0	111.2	Y114 C124	Y114-C121 HydrophobicContact CD2-CB 4.06Å; C121-C124 WeakPolarHBondContact CA-SG 3.37Å; C121-C124 HydrophobicContact CB-CB 4.4Å; C121-C124 WeakPolarHBondContact CB-SG 3.35Å; C121-C124 WeakPolarHBondContact SG-CA 3.45Å; C121-C124 WeakPolarHBondContact SG-CB 3.47Å; C121-C124 PolarHBondContact SG-N 2.93Å; C121-C124 CovalentContact SG-SG 2.02Å; C121-C124 PolarHBondContact SG-SG 3.27Å
122	P	95.3	Very high	98	Very high	89 Å²	89	54.8 Å²	54.8	58%	0.578	29%	0.286	S	S	*	.	S	Bend	trans	-65.6	-42.1	179.2	24.2	-32.9	0	0	0	112.4	L113	L113-P122 WeakPolarHBondContact O-CD 3.41Å
123	Q	96.6	Very high	98.1	Very high	144 Å²	144	48.5 Å²	48.5	67%	0.673	26%	0.261	S	S	*	.	S	Bend	trans	-149.9	59.3	-176.6	-67.9	-178	-35.5	0	0	109.9	L113	L113-Q123 HydrophobicContact CD1-CB 4.08Å; L113-Q123 WeakPolarHBondContact CD1-O 3.37Å
124	C	98.3	Very high	98.1	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.267	C	S	.	.			trans	-138.1	13.3	-173	87.1	0	0	0	0	116.1	E110 L113 Y114 C121 H126 Y127 T128	E110-C124 HydrophobicContact CB-CB 4.04Å; E110-C124 WeakPolarHBondContact OE2-CA 3.38Å; L113-C124 HydrophobicContact CB-CB 4.31Å; Y114-C124 WeakPolarHBondContact CB-SG 3.5Å; Y114-C124 WeakPolarHBondContact CD2-SG 3.38Å; C121-C124 WeakPolarHBondContact CA-SG 3.37Å; C121-C124 HydrophobicContact CB-CB 4.4Å; C121-C124 WeakPolarHBondContact CB-SG 3.35Å; C121-C124 WeakPolarHBondContact SG-CA 3.45Å; C121-C124 WeakPolarHBondContact SG-CB 3.47Å; C121-C124 PolarHBondContact SG-N 2.93Å; C121-C124 CovalentContact SG-SG 2.02Å; C121-C124 PolarHBondContact SG-SG 3.27Å; C124-H126 PolarHBondContact O-N 3.18Å; C124-Y127 WeakPolarHBondContact O-CB 3.48Å; C124-Y127 PolarHBondContact O-N 3.41Å; C124-Y127 VanDerWaalsContact O-N 3.1Å; C124-T128 PolarHBondContact O-N 3.06Å; C124-T128 PolarHBondContact O-OG1 3.24Å
125	L	98.3	Very high	98.1	Very high	103 Å²	103	50.1 Å²	50.1	54%	0.539	27%	0.265	S	S	.	.	H	α-helix	trans	-66.9	-22.7	-171.5	-68.5	178.6	0	0	0	113.1	E110 T128 Q129 N161	E110-L125 PolarHBondContact OE2-N 3.32Å; L125-T128 WeakPolarHBondContact CA-OG1 3.42Å; L125-T128 PolarHBondContact O-OG1 2.89Å; L125-Q129 WeakPolarHBondContact O-CB 3.42Å; L125-Q129 PolarHBondContact O-N 2.86Å; L125-N161 HydrophobicContact CD2-CB 4.48Å; L125-N161 PolarHBondContact O-ND2 3.24Å
126	H	98.8	Very high	98.1	Very high	50 Å²	50	48.8 Å²	48.8	23%	0.231	26%	0.259	C	S	.	.	H	α-helix	trans	-72.7	-44.9	172.7	-53.9	117.3	0	0	0	110.5	N93 W107 E110 C124 Q129 M130	N93-H126 PolarHBondContact ND2-O 3.38Å; W107-H126 HydrophobicContact CB-CB 3.65Å; W107-H126 VanDerWaalsContact CD1-CB 3.42Å; W107-H126 AromaticContact CD1-CD2 3.75Å; W107-H126 AromaticContact CD1-CG 3.33Å; W107-H126 AromaticContact CD1-ND1 3.64Å; W107-H126 HydrophobicContact CG-CB 3.63Å; W107-H126 AromaticContact NE1-CD2 3.73Å; W107-H126 AromaticContact NE1-CG 3.81Å; E110-H126 IonicContact OE1-CE1 2.84Å; E110-H126 IonicContact OE1-CG 3.94Å; E110-H126 IonicContact OE1-ND1 2.62Å; E110-H126 PolarHBondContact OE1-ND1 3.03Å; E110-H126 VanDerWaalsContact OE2-CB 3.26Å; E110-H126 WeakPolarHBondContact OE2-CB 3.25Å; E110-H126 IonicContact OE2-CG 3.61Å; E110-H126 PolarHBondContact OE2-N 2.87Å; E110-H126 IonicContact OE2-ND1 3.24Å; E110-H126 PolarHBondContact OE2-ND1 2.85Å; C124-H126 PolarHBondContact O-N 3.18Å; H126-Q129 PolarHBondContact O-N 3.41Å; H126-M130 WeakPolarHBondContact O-CG 3.44Å; H126-M130 PolarHBondContact O-N 3.49Å
127	Y	98.9	Very high	98.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.9	-50.2	174.5	162.6	-101.7	0	0	0	111.9	L41 W107 F108 E110 H111 Y114 C124 Q129 M130 A131	L41-Y127 HydrophobicContact CD1-CE2 4.34Å; L41-Y127 WeakPolarHBondContact CD2-OH 3.2Å; W107-Y127 WeakPolarHBondContact O-CA 3.35Å; W107-Y127 WeakPolarHBondContact O-CB 2.98Å; W107-Y127 PolarHBondContact O-N 3.29Å; F108-Y127 AromaticContact CD2-CD2 3.92Å; F108-Y127 HydrophobicContact CD2-CD2 3.92Å; F108-Y127 HydrophobicContact CD2-CE2 4.23Å; F108-Y127 HydrophobicContact CE2-CD2 4.02Å; F108-Y127 AromaticContact CE2-CE2 3.84Å; F108-Y127 HydrophobicContact CE2-CE2 3.84Å; F108-Y127 HydrophobicContact CZ-CE2 4.39Å; F108-Y127 WeakPolarHBondContact O-CD2 3.44Å; E110-Y127 PolarHBondContact OE2-N 3.38Å; H111-Y127 HydrophobicContact CB-CD1 4.19Å; H111-Y127 HydrophobicContact CB-CD2 3.49Å; H111-Y127 VanDerWaalsContact CB-CD2 3.49Å; H111-Y127 HydrophobicContact CB-CE1 4.09Å; H111-Y127 HydrophobicContact CB-CE2 3.36Å; H111-Y127 HydrophobicContact CB-CG 3.91Å; Y114-Y127 HydrophobicContact CD1-CD1 4.24Å; Y114-Y127 AromaticContact CD1-CE1 3.54Å; Y114-Y127 HydrophobicContact CD1-CE1 3.54Å; Y114-Y127 HydrophobicContact CE1-CE1 4.28Å; Y114-Y127 HydrophobicContact CG-CD1 4.23Å; Y114-Y127 AromaticContact CG-CE1 3.98Å; Y114-Y127 HydrophobicContact CG-CE1 3.98Å; C124-Y127 WeakPolarHBondContact O-CB 3.48Å; C124-Y127 PolarHBondContact O-N 3.41Å; C124-Y127 VanDerWaalsContact O-N 3.1Å; Y127-Q129 PolarHBondContact O-N 3.28Å; Y127-M130 WeakPolarHBondContact O-CB 3.35Å; Y127-M130 PolarHBondContact O-N 2.88Å; Y127-A131 HydrophobicContact CD2-CB 4.48Å; Y127-A131 HydrophobicContact CE1-CB 4.37Å; Y127-A131 HydrophobicContact CE2-CB 3.99Å; Y127-A131 WeakPolarHBondContact O-CB 3.29Å; Y127-A131 PolarHBondContact O-N 3.08Å
128	T	98.7	Very high	98.2	Very high	7 Å²	7	40.9 Å²	40.9	4%	0.043	22%	0.22	C	C	.	.	H	α-helix	trans	-63.8	-32.4	-177.2	53.6	0	0	0	0	111.6	Y114 C124 L125 A131 W132 N161 P167	Y114-T128 HydrophobicContact CD2-CG2 3.87Å; Y114-T128 HydrophobicContact CE2-CG2 3.95Å; Y114-T128 HydrophobicContact CG-CG2 4.18Å; C124-T128 PolarHBondContact O-N 3.06Å; C124-T128 PolarHBondContact O-OG1 3.24Å; L125-T128 WeakPolarHBondContact CA-OG1 3.42Å; L125-T128 PolarHBondContact O-OG1 2.89Å; T128-A131 PolarHBondContact O-N 3.23Å; T128-W132 PolarHBondContact O-N 3.08Å; T128-N161 WeakPolarHBondContact CB-OD1 3.35Å; T128-N161 PolarHBondContact OG1-OD1 2.71Å; T128-P167 HydrophobicContact CG2-CG 4.45Å
129	Q	98.9	Very high	98.2	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.009	19%	0.192	C	C	.	.	H	α-helix	trans	-66.1	-45.7	171.1	-178.9	56.4	83.4	0	0	112.3	G91 L125 H126 Y127 A131 W132 Y156 N161	G91-Q129 VanDerWaalsContact CA-OE1 3.27Å; L125-Q129 WeakPolarHBondContact O-CB 3.42Å; L125-Q129 PolarHBondContact O-N 2.86Å; H126-Q129 PolarHBondContact O-N 3.41Å; Y127-Q129 PolarHBondContact O-N 3.28Å; Q129-A131 VanDerWaalsContact C-N 3.28Å; Q129-A131 PolarHBondContact O-N 2.77Å; Q129-W132 WeakPolarHBondContact O-CB 3.35Å; Q129-W132 PolarHBondContact O-N 3.21Å; Q129-Y156 HydrophobicContact CG-CD1 4.3Å; Q129-Y156 HydrophobicContact CG-CD2 3.36Å; Q129-Y156 HydrophobicContact CG-CE2 3.61Å; Q129-Y156 HydrophobicContact CG-CG 3.75Å; Q129-N161 PolarHBondContact N-OD1 2.85Å
130	M	98.9	Very high	98.3	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.02	18%	0.182	C	C	.	.	H	α-helix	trans	-61.5	-38.8	176.4	-70.5	179.3	70.4	0	0	112	Y37 R38 V104 W107 F108 H126 Y127 W132	Y37-M130 HydrophobicContact CD2-CE 3.93Å; R38-M130 WeakPolarHBondContact CG-O 3.44Å; R38-M130 PolarHBondContact NH1-O 2.96Å; V104-M130 HydrophobicContact CG1-CE 3.51Å; V104-M130 HydrophobicContact CG1-SD 4.5Å; W107-M130 HydrophobicContact CB-SD 3.49Å; W107-M130 WeakPolarHBondContact CB-SD 3.26Å; W107-M130 HydrophobicContact CE3-SD 4.27Å; W107-M130 HydrophobicContact CG-SD 4.49Å; F108-M130 HydrophobicContact CB-CE 4.01Å; F108-M130 HydrophobicContact CB-SD 4.14Å; F108-M130 HydrophobicContact CD2-CE 4.07Å; F108-M130 HydrophobicContact CD2-SD 4.44Å; F108-M130 HydrophobicContact CG-CE 4.44Å; H126-M130 WeakPolarHBondContact O-CG 3.44Å; H126-M130 PolarHBondContact O-N 3.49Å; Y127-M130 WeakPolarHBondContact O-CB 3.35Å; Y127-M130 PolarHBondContact O-N 2.88Å; M130-W132 PolarHBondContact O-N 3.24Å
131	A	98.8	Very high	98.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	4.9	-179.4	0	0	0	0	0	113.6	L41 M55 Y127 T128 Q129 A133 P167 Y168	L41-A131 HydrophobicContact CD1-CB 3.66Å; M55-A131 HydrophobicContact CE-CB 4.34Å; M55-A131 WeakPolarHBondContact CE-O 3.37Å; Y127-A131 HydrophobicContact CD2-CB 4.48Å; Y127-A131 HydrophobicContact CE1-CB 4.37Å; Y127-A131 HydrophobicContact CE2-CB 3.99Å; Y127-A131 WeakPolarHBondContact O-CB 3.29Å; Y127-A131 PolarHBondContact O-N 3.08Å; T128-A131 PolarHBondContact O-N 3.23Å; Q129-A131 VanDerWaalsContact C-N 3.28Å; Q129-A131 PolarHBondContact O-N 2.77Å; A131-A133 PolarHBondContact O-N 3.45Å; A131-A133 VanDerWaalsContact O-N 3.08Å; A131-P167 HydrophobicContact CB-CB 4.11Å; A131-P167 HydrophobicContact CB-CG 4.45Å; A131-Y168 HydrophobicContact CB-CD1 4.14Å; A131-Y168 HydrophobicContact CB-CE1 4.2Å
132	W	98.9	Very high	98.5	Very high	5 Å²	5	29.6 Å²	29.6	2%	0.019	16%	0.155	C	C	.	.			trans	-73.1	105.2	-175.1	-154.2	-98.4	0	0	0	111.5	R38 T128 Q129 M130 K134 T135 F162 E165 P167	R38-W132 PolarHBondContact NH1-O 3.07Å; R38-W132 PolarHBondContact NH2-O 2.79Å; T128-W132 PolarHBondContact O-N 3.08Å; Q129-W132 WeakPolarHBondContact O-CB 3.35Å; Q129-W132 PolarHBondContact O-N 3.21Å; M130-W132 PolarHBondContact O-N 3.24Å; W132-K134 PolarHBondContact O-N 3.4Å; W132-T135 WeakPolarHBondContact O-CB 3.36Å; W132-T135 PolarHBondContact O-N 3.11Å; W132-F162 HydrophobicContact CH2-CB 4.2Å; W132-F162 HydrophobicContact CH2-CD2 4.44Å; W132-F162 HydrophobicContact CZ2-CB 4.11Å; W132-F162 AromaticContact CZ2-CD2 3.66Å; W132-F162 HydrophobicContact CZ2-CD2 3.66Å; W132-F162 HydrophobicContact CZ2-CG 4.38Å; W132-E165 HydrophobicContact CH2-CB 3.76Å; W132-E165 HydrophobicContact CZ2-CB 4.11Å; W132-P167 CarbonylContact C-O 3.44Å; W132-P167 WeakPolarHBondContact CA-O 3.37Å; W132-P167 VanDerWaalsContact CE3-CA 3.5Å; W132-P167 HydrophobicContact CE3-CB 3.74Å; W132-P167 HydrophobicContact CZ3-CB 4.15Å
133	A	98.8	Very high	98.6	Very high	13 Å²	13	26 Å²	26	11%	0.107	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-34.4	-172.2	0	0	0	0	0	113.2	R38 M55 S56 A131 T135 P167	R38-A133 PolarHBondContact NH2-O 3.35Å; M55-A133 HydrophobicContact SD-CB 3.9Å; S56-A133 WeakPolarHBondContact CB-O 3.39Å; S56-A133 PolarHBondContact N-O 2.98Å; A131-A133 PolarHBondContact O-N 3.45Å; A131-A133 VanDerWaalsContact O-N 3.08Å; A133-T135 VanDerWaalsContact C-N 3.29Å; A133-T135 PolarHBondContact O-N 2.92Å; A133-P167 PolarHBondContact N-O 3.26Å
134	K	98.4	Very high	98.7	Very high	130 Å²	130	25.1 Å²	25.1	57%	0.565	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-16	179.9	-62.7	175.2	-176.7	167.9	0	113.4	W132 T136 P158 E165	W132-K134 PolarHBondContact O-N 3.4Å; K134-T136 PolarHBondContact O-N 2.72Å; K134-P158 WeakPolarHBondContact O-CD 3.47Å; K134-P158 VanDerWaalsContact O-CG 3.26Å; K134-P158 WeakPolarHBondContact O-CG 3.35Å; K134-E165 IonicContact NZ-OE2 2.65Å; K134-E165 PolarHBondContact NZ-OE2 3.11Å
135	T	98.8	Very high	98.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.133	C	C	.	.			trans	-69.6	124.8	175	-63.7	0	0	0	0	109.4	R38 S56 L58 W132 A133 D137 Y156 P158	R38-T135 PolarHBondContact NH2-O 3.41Å; R38-T135 VanDerWaalsContact NH2-O 3.11Å; S56-T135 WeakPolarHBondContact CB-O 3.39Å; L58-T135 HydrophobicContact CD2-CG2 3.87Å; L58-T135 WeakPolarHBondContact CD2-O 3.41Å; W132-T135 WeakPolarHBondContact O-CB 3.36Å; W132-T135 PolarHBondContact O-N 3.11Å; A133-T135 VanDerWaalsContact C-N 3.29Å; A133-T135 PolarHBondContact O-N 2.92Å; T135-D137 WeakPolarHBondContact CG2-O 3.43Å; T135-Y156 HydrophobicContact CG2-CD1 4.19Å; T135-P158 WeakPolarHBondContact CB-O 3.49Å; T135-P158 PolarHBondContact OG1-O 3.37Å
136	T	98.7	Very high	98.2	Very high	45 Å²	45	26 Å²	26	28%	0.276	14%	0.144	S	C	.	.			trans	-109.5	-27.4	-178	56	0	0	0	0	112.3	L58 K59 K134 G157	L58-T136 WeakPolarHBondContact CA-O 3.34Å; K59-T136 PolarHBondContact N-O 2.84Å; K134-T136 PolarHBondContact O-N 2.72Å; T136-G157 PolarHBondContact N-O 3.11Å; T136-G157 PolarHBondContact OG1-O 3.33Å
137	D	98.7	Very high	97.7	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.016	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	139.4	-171	-70.5	-123	0	0	0	110.2	K59 N61 L64 F87 T135 G157	K59-D137 WeakPolarHBondContact CE-OD1 3.45Å; K59-D137 WeakPolarHBondContact CE-OD2 3.49Å; K59-D137 IonicContact NZ-OD1 2.71Å; K59-D137 IonicContact NZ-OD2 3.72Å; K59-D137 WeakPolarHBondContact O-CA 3.38Å; N61-D137 HydrophobicContact CB-CB 3.99Å; N61-D137 PolarHBondContact ND2-OD1 3.44Å; L64-D137 HydrophobicContact CD1-CB 4.22Å; F87-D137 HydrophobicContact CE2-CB 3.76Å; F87-D137 HydrophobicContact CZ-CB 3.62Å; F87-D137 WeakPolarHBondContact CZ-OD2 3.4Å; T135-D137 WeakPolarHBondContact CG2-O 3.43Å; D137-G157 WeakPolarHBondContact CB-O 3.27Å; D137-G157 PolarHBondContact N-O 2.98Å; D137-G157 PolarHBondContact O-N 3.49Å
138	I	98.8	Very high	97.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	142.1	172.1	-170.4	174.9	0	0	0	109.2	L31 H34 L58 K59 W60 N61 C154 N155 Y156	L31-I138 HydrophobicContact CD1-CG2 3.49Å; L31-I138 VanDerWaalsContact CD1-CG2 3.49Å; H34-I138 HydrophobicContact CB-CD1 4.23Å; L58-I138 HydrophobicContact CB-CG2 4.07Å; L58-I138 HydrophobicContact CD1-CB 4.33Å; L58-I138 HydrophobicContact CD1-CD1 4.39Å; L58-I138 HydrophobicContact CD1-CG2 4.14Å; K59-I138 PolarHBondContact O-N 3.44Å; W60-I138 CarbonylContact C-O 3.52Å; W60-I138 VanDerWaalsContact CA-O 3.31Å; W60-I138 WeakPolarHBondContact CA-O 3.24Å; W60-I138 HydrophobicContact CE3-CG2 4.31Å; N61-I138 PolarHBondContact N-O 2.88Å; I138-C154 HydrophobicContact CD1-CB 4.31Å; I138-C154 HydrophobicContact CG1-CB 4.48Å; I138-N155 WeakPolarHBondContact CA-O 3.27Å; I138-Y156 HydrophobicContact CD1-CD1 4.13Å; I138-Y156 HydrophobicContact CD1-CE1 3.6Å; I138-Y156 HydrophobicContact CG1-CD1 4.13Å; I138-Y156 HydrophobicContact CG1-CE1 4.06Å
139	G	98.7	Very high	97.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	131	166.7	0	0	0	0	0	109	N155	G139-N155 PolarHBondContact N-O 2.84Å; G139-N155 PolarHBondContact O-N 3.47Å
140	C	98.9	Very high	97.1	Very high	4 Å²	4	42.2 Å²	42.2	3%	0.027	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	162.3	-175.4	-51.8	0	0	0	0	111.7	L30 W60 A65 V153 C154	L30-C140 HydrophobicContact CB-CB 4.34Å; L30-C140 HydrophobicContact CD1-CB 3.58Å; L30-C140 HydrophobicContact CG-CB 4.39Å; W60-C140 HydrophobicContact CH2-CB 3.74Å; W60-C140 HydrophobicContact CZ3-CB 4.2Å; A65-C140 WeakPolarHBondContact CB-O 3.34Å; C140-V153 CarbonylContact C-O 3.57Å; C140-V153 WeakPolarHBondContact CA-O 3.41Å; C140-V153 WeakPolarHBondContact CB-O 3.49Å; C140-C154 HydrophobicContact CB-CB 4.07Å; C140-C154 WeakPolarHBondContact CB-SG 3.45Å; C140-C154 VanDerWaalsContact SG-CA 3.57Å; C140-C154 WeakPolarHBondContact SG-CB 3.46Å; C140-C154 CovalentContact SG-SG 2.05Å; C140-C154 PolarHBondContact SG-SG 2.97Å
141	G	98.7	Very high	97.1	Very high	2 Å²	2	42 Å²	42	2%	0.021	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	148.7	172.3	0	0	0	0	0	110.7	V153	G141-V153 PolarHBondContact N-O 3.46Å; G141-V153 PolarHBondContact O-N 3.39Å
142	V	98.6	Very high	97.1	Very high	21 Å²	21	42 Å²	42	13%	0.127	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	134.1	-179.6	-175.7	0	0	0	0	109	N26 L30 Q69 I100 L150 S151	N26-V142 HydrophobicContact CB-CG2 4.35Å; L30-V142 HydrophobicContact CD1-CG2 3.49Å; L30-V142 VanDerWaalsContact CD1-CG2 3.49Å; Q69-V142 PolarHBondContact NE2-O 3.48Å; Q69-V142 PolarHBondContact OE1-O 2.81Å; I100-V142 HydrophobicContact CD1-CG2 4.07Å; I100-V142 HydrophobicContact CG1-CG1 4.5Å; I100-V142 HydrophobicContact CG1-CG2 4.19Å; V142-L150 HydrophobicContact CG1-CB 4.22Å; V142-L150 HydrophobicContact CG1-CD1 4.04Å; V142-L150 HydrophobicContact CG1-CD2 4.17Å; V142-L150 HydrophobicContact CG1-CG 4.38Å; V142-S151 VanDerWaalsContact CA-O 3.32Å; V142-S151 WeakPolarHBondContact CA-O 3.47Å
143	A	98.4	Very high	97.1	Very high	14 Å²	14	41.8 Å²	41.8	12%	0.116	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	144.5	172	0	0	0	0	0	110.3	A72 I73 C145 L150 S151	A72-A143 HydrophobicContact CB-CB 4.18Å; A72-A143 WeakPolarHBondContact O-CB 3.39Å; I73-A143 HydrophobicContact CG1-CB 4.21Å; A143-C145 PolarHBondContact O-N 2.62Å; A143-L150 WeakPolarHBondContact O-CA 2.8Å; A143-S151 PolarHBondContact N-O 2.76Å; A143-S151 PolarHBondContact O-N 2.85Å
144	N	98.1	Very high	97.1	Very high	124 Å²	124	41.1 Å²	41.1	66%	0.663	21%	0.208	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	128.3	168.7	-178.1	62.9	0	0	0	109.2	G149	N144-G149 PolarHBondContact OD1-O 3Å
145	C	95.5	Very high	97.1	Very high	3 Å²	3	35 Å²	35	2%	0.02	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	101.4	-178.2	-158.3	0	0	0	0	109.8	C75 L96 A143 R147 Y148 G149	C75-C145 HydrophobicContact CB-CB 4.31Å; C75-C145 WeakPolarHBondContact CB-SG 3.44Å; C75-C145 WeakPolarHBondContact SG-CA 3.49Å; C75-C145 WeakPolarHBondContact SG-CB 3.14Å; C75-C145 CovalentContact SG-SG 2.03Å; C75-C145 PolarHBondContact SG-SG 3.14Å; L96-C145 HydrophobicContact CD2-CB 4.44Å; A143-C145 PolarHBondContact O-N 2.62Å; C145-R147 PolarHBondContact O-N 3.18Å; C145-Y148 PolarHBondContact O-N 3.08Å; C145-G149 PolarHBondContact N-O 3.21Å; C145-G149 PolarHBondContact O-N 3.43Å
146	P	90.4	Very high	97.1	Very high	119 Å²	119	35 Å²	35	77%	0.773	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-30.5	-165	-31.4	35.3	0	0	0	116.2
147	R	89.1	Confident	97.1	Very high	216 Å²	216	32.9 Å²	32.9	82%	0.815	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-16.5	-179.1	-66.6	-175.5	178.8	-173.4	-0.5	114.5	C145	C145-R147 PolarHBondContact O-N 3.18Å
148	Y	88.4	Confident	97.1	Very high	119 Å²	119	34.7 Å²	34.7	47%	0.467	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132.8	-3.1	-165.2	-52.6	-72.2	0	0	0	114.7	L96 H97 C145	L96-Y148 HydrophobicContact CB-CG 4.22Å; L96-Y148 HydrophobicContact CD1-CD1 4.37Å; L96-Y148 HydrophobicContact CD1-CD2 3.8Å; L96-Y148 HydrophobicContact CD1-CE2 4.07Å; L96-Y148 HydrophobicContact CD1-CG 3.97Å; L96-Y148 HydrophobicContact CD2-CD2 4.24Å; L96-Y148 HydrophobicContact CD2-CG 4.47Å; L96-Y148 HydrophobicContact CG-CD2 4.48Å; L96-Y148 HydrophobicContact CG-CG 4.46Å; H97-Y148 CarbonylContact C-O 3.42Å; C145-Y148 PolarHBondContact O-N 3.08Å
149	G	96.5	Very high	97.1	Very high	27 Å²	27	34.7 Å²	34.7	28%	0.278	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	91.9	-98.6	-172.1	0	0	0	0	0	110.2	N144 C145	N144-G149 PolarHBondContact OD1-O 3Å; C145-G149 PolarHBondContact N-O 3.21Å; C145-G149 PolarHBondContact O-N 3.43Å
150	L	98.4	Very high	97	Very high	37 Å²	37	34.7 Å²	34.7	19%	0.194	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	142.8	-179.6	-56.6	179.4	0	0	0	111.6	L96 H97 I100 V142 A143 I152	L96-L150 CarbonylContact C-O 3.57Å; L96-L150 VanDerWaalsContact CA-O 3.31Å; L96-L150 WeakPolarHBondContact CA-O 3.49Å; H97-L150 PolarHBondContact N-O 2.63Å; H97-L150 WeakPolarHBondContact O-CA 3.25Å; H97-L150 WeakPolarHBondContact O-CB 3.45Å; H97-L150 PolarHBondContact O-N 2.48Å; I100-L150 HydrophobicContact CG1-CD1 4.03Å; V142-L150 HydrophobicContact CG1-CB 4.22Å; V142-L150 HydrophobicContact CG1-CD1 4.04Å; V142-L150 HydrophobicContact CG1-CD2 4.17Å; V142-L150 HydrophobicContact CG1-CG 4.38Å; A143-L150 WeakPolarHBondContact O-CA 2.8Å; L150-I152 HydrophobicContact CB-CD1 4.38Å; L150-I152 HydrophobicContact CB-CG1 4Å
151	S	98.5	Very high	97	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	119.2	160.1	179	0	0	0	0	108.2	A72 V142 A143	A72-S151 WeakPolarHBondContact CA-OG 3.23Å; A72-S151 WeakPolarHBondContact O-CB 3.12Å; A72-S151 PolarHBondContact O-OG 3.36Å; V142-S151 VanDerWaalsContact CA-O 3.32Å; V142-S151 WeakPolarHBondContact CA-O 3.47Å; A143-S151 PolarHBondContact N-O 2.76Å; A143-S151 PolarHBondContact O-N 2.85Å
152	I	98.8	Very high	96.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	121.1	-174.8	-53.8	159.9	0	0	0	107.7	L30 I94 A95 H97 W107 L150	L30-I152 HydrophobicContact CD2-CG2 3.81Å; I94-I152 WeakPolarHBondContact CA-O 3.41Å; A95-I152 PolarHBondContact N-O 3.29Å; A95-I152 PolarHBondContact O-N 2.91Å; H97-I152 HydrophobicContact CB-CD1 4.34Å; W107-I152 HydrophobicContact CH2-CB 4.39Å; W107-I152 HydrophobicContact CH2-CG2 3.78Å; W107-I152 HydrophobicContact CZ3-CG2 4.35Å; L150-I152 HydrophobicContact CB-CD1 4.38Å; L150-I152 HydrophobicContact CB-CG1 4Å
153	V	98.9	Very high	96.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	131.4	177.6	-179	0	0	0	0	108.4	A68 L71 A72 Q92 N93 I94 C140 G141	A68-V153 HydrophobicContact CB-CB 4.1Å; A68-V153 HydrophobicContact CB-CG1 3.78Å; L71-V153 HydrophobicContact CB-CG1 4.38Å; L71-V153 HydrophobicContact CB-CG2 4.23Å; L71-V153 HydrophobicContact CD2-CG1 3.99Å; L71-V153 HydrophobicContact CD2-CG2 4.16Å; L71-V153 HydrophobicContact CG-CG2 4.07Å; A72-V153 HydrophobicContact CB-CB 4.34Å; A72-V153 HydrophobicContact CB-CG2 3.89Å; Q92-V153 HydrophobicContact CG-CG1 4.01Å; N93-V153 WeakPolarHBondContact O-CA 3.28Å; I94-V153 HydrophobicContact CG1-CG2 4.44Å; I94-V153 HydrophobicContact CG2-CG2 4.1Å; C140-V153 CarbonylContact C-O 3.57Å; C140-V153 WeakPolarHBondContact CA-O 3.41Å; C140-V153 WeakPolarHBondContact CB-O 3.49Å; G141-V153 PolarHBondContact N-O 3.46Å; G141-V153 PolarHBondContact O-N 3.39Å
154	C	99	Very high	96.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	132.2	171.1	-74.9	0	0	0	0	110.1	Q92 N93 W107 I138 C140 Y156	Q92-C154 CarbonylContact C-O 3.58Å; Q92-C154 VanDerWaalsContact CA-O 3.23Å; Q92-C154 WeakPolarHBondContact CA-O 3.46Å; N93-C154 PolarHBondContact N-O 2.6Å; N93-C154 PolarHBondContact O-N 3.07Å; W107-C154 HydrophobicContact CH2-CB 4.34Å; W107-C154 HydrophobicContact CZ3-CB 4.28Å; I138-C154 HydrophobicContact CD1-CB 4.31Å; I138-C154 HydrophobicContact CG1-CB 4.48Å; C140-C154 HydrophobicContact CB-CB 4.07Å; C140-C154 WeakPolarHBondContact CB-SG 3.45Å; C140-C154 VanDerWaalsContact SG-CA 3.57Å; C140-C154 WeakPolarHBondContact SG-CB 3.46Å; C140-C154 CovalentContact SG-SG 2.05Å; C140-C154 PolarHBondContact SG-SG 2.97Å; C154-Y156 HydrophobicContact CB-CE1 4.45Å; C154-Y156 HydrophobicContact CB-CE2 3.86Å; C154-Y156 WeakPolarHBondContact CB-OH 3.47Å; C154-Y156 VanDerWaalsContact O-CE2 3.24Å; C154-Y156 WeakPolarHBondContact O-CE2 3.48Å
155	N	98.9	Very high	96.4	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	140.2	173.7	-72.5	-28.7	0	0	0	109.9	L64 A68 R82 V90 G91 Q92 I138 G139	L64-N155 HydrophobicContact CB-CB 4.02Å; L64-N155 HydrophobicContact CD2-CB 4.3Å; L64-N155 PolarHBondContact O-ND2 3.47Å; L64-N155 VanDerWaalsContact O-ND2 3.11Å; A68-N155 PolarHBondContact N-ND2 3.44Å; R82-N155 WeakPolarHBondContact CD-OD1 3.07Å; V90-N155 HydrophobicContact CG1-CB 3.87Å; G91-N155 VanDerWaalsContact O-CA 3.29Å; G91-N155 WeakPolarHBondContact O-CA 3.37Å; Q92-N155 WeakPolarHBondContact CG-OD1 3.46Å; Q92-N155 PolarHBondContact NE2-OD1 3.39Å; I138-N155 WeakPolarHBondContact CA-O 3.27Å; G139-N155 PolarHBondContact N-O 2.84Å; G139-N155 PolarHBondContact O-N 3.47Å
156	Y	98.9	Very high	96.5	Very high	1 Å²	1	55.7 Å²	55.7	0%	0.004	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	129.7	-170.5	-57	-90.9	0	0	0	111.4	H34 V90 G91 N93 Q129 T135 I138 C154 P158 G159	H34-Y156 AromaticContact CD2-CE1 3.72Å; H34-Y156 AromaticContact NE2-CE1 3.62Å; H34-Y156 AromaticContact NE2-CZ 3.63Å; H34-Y156 PolarHBondContact NE2-OH 2.98Å; V90-Y156 CarbonylContact C-O 3.58Å; V90-Y156 VanDerWaalsContact CA-O 3.26Å; V90-Y156 WeakPolarHBondContact CA-O 3.43Å; G91-Y156 PolarHBondContact N-O 3.36Å; G91-Y156 PolarHBondContact O-N 2.8Å; N93-Y156 HydrophobicContact CB-CE2 3.88Å; N93-Y156 PolarHBondContact ND2-OH 3.01Å; N93-Y156 VanDerWaalsContact ND2-OH 3.17Å; Q129-Y156 HydrophobicContact CG-CD1 4.3Å; Q129-Y156 HydrophobicContact CG-CD2 3.36Å; Q129-Y156 HydrophobicContact CG-CE2 3.61Å; Q129-Y156 HydrophobicContact CG-CG 3.75Å; T135-Y156 HydrophobicContact CG2-CD1 4.19Å; I138-Y156 HydrophobicContact CD1-CD1 4.13Å; I138-Y156 HydrophobicContact CD1-CE1 3.6Å; I138-Y156 HydrophobicContact CG1-CD1 4.13Å; I138-Y156 HydrophobicContact CG1-CE1 4.06Å; C154-Y156 HydrophobicContact CB-CE1 4.45Å; C154-Y156 HydrophobicContact CB-CE2 3.86Å; C154-Y156 WeakPolarHBondContact CB-OH 3.47Å; C154-Y156 VanDerWaalsContact O-CE2 3.24Å; C154-Y156 WeakPolarHBondContact O-CE2 3.48Å; Y156-P158 CarbonylContact O-C 3.46Å; Y156-G159 WeakPolarHBondContact O-CA 3.33Å; Y156-G159 PolarHBondContact O-N 3.38Å; Y156-G159 VanDerWaalsContact O-N 3.13Å
157	G	98.7	Very high	96.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	125.7	-176.9	0	0	0	0	0	113.3	T136 D137	T136-G157 PolarHBondContact N-O 3.11Å; T136-G157 PolarHBondContact OG1-O 3.33Å; D137-G157 WeakPolarHBondContact CB-O 3.27Å; D137-G157 PolarHBondContact N-O 2.98Å; D137-G157 PolarHBondContact O-N 3.49Å
158	P	98.5	Very high	97.4	Very high	42 Å²	42	40.3 Å²	40.3	27%	0.273	21%	0.205	S	C	.	.	S	Bend	cis	-57.5	149.5	-21	28.3	-35.7	0	0	0	111	F87 K134 T135 Y156	F87-P158 HydrophobicContact CD1-CB 4.25Å; K134-P158 WeakPolarHBondContact O-CD 3.47Å; K134-P158 VanDerWaalsContact O-CG 3.26Å; K134-P158 WeakPolarHBondContact O-CG 3.35Å; T135-P158 WeakPolarHBondContact CB-O 3.49Å; T135-P158 PolarHBondContact OG1-O 3.37Å; Y156-P158 CarbonylContact O-C 3.46Å
159	G	98.4	Very high	97.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.21	C	C	.	.			trans	-62.2	156.7	171.9	0	0	0	0	0	112.4	W89 Y156 F162	W89-G159 VanDerWaalsContact CD1-C 3.42Å; W89-G159 VanDerWaalsContact CD1-CA 3.4Å; W89-G159 PolarHBondContact O-N 2.88Å; Y156-G159 WeakPolarHBondContact O-CA 3.33Å; Y156-G159 PolarHBondContact O-N 3.38Å; Y156-G159 VanDerWaalsContact O-N 3.13Å; G159-F162 VanDerWaalsContact O-CE2 3.27Å; G159-F162 WeakPolarHBondContact O-CE2 3.38Å
160	G	98.2	Very high	97.9	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.214	C	C	.	.			trans	-102.2	-154.3	175.7	0	0	0	0	0	112.7	W89 F162	W89-G160 PolarHBondContact NE1-O 3.17Å; G160-F162 VanDerWaalsContact C-N 3.32Å; G160-F162 PolarHBondContact O-N 2.56Å
161	N	98.1	Very high	97.9	Very high	53 Å²	53	41.5 Å²	41.5	28%	0.283	21%	0.21	S	C	.	.			trans	59.7	37.4	176	-59.3	-20	0	0	0	113.6	L125 T128 Q129	L125-N161 HydrophobicContact CD2-CB 4.48Å; L125-N161 PolarHBondContact O-ND2 3.24Å; T128-N161 WeakPolarHBondContact CB-OD1 3.35Å; T128-N161 PolarHBondContact OG1-OD1 2.71Å; Q129-N161 PolarHBondContact N-OD1 2.85Å
162	F	96.1	Very high	97.9	Very high	90 Å²	90	45 Å²	45	40%	0.395	23%	0.233	S	C	.	.			trans	-67.3	136.9	169.1	-72.8	-87.2	0	0	0	110.3	W89 W132 G159 G160 N164 E165	W89-F162 HydrophobicContact CB-CZ 4.35Å; W89-F162 AromaticContact CD1-CZ 3.85Å; W89-F162 HydrophobicContact CG-CZ 4.37Å; W132-F162 HydrophobicContact CH2-CB 4.2Å; W132-F162 HydrophobicContact CH2-CD2 4.44Å; W132-F162 HydrophobicContact CZ2-CB 4.11Å; W132-F162 AromaticContact CZ2-CD2 3.66Å; W132-F162 HydrophobicContact CZ2-CD2 3.66Å; W132-F162 HydrophobicContact CZ2-CG 4.38Å; G159-F162 VanDerWaalsContact O-CE2 3.27Å; G159-F162 WeakPolarHBondContact O-CE2 3.38Å; G160-F162 VanDerWaalsContact C-N 3.32Å; G160-F162 PolarHBondContact O-N 2.56Å; F162-N164 PolarHBondContact O-N 3.45Å; F162-E165 HydrophobicContact CB-CB 4.08Å; F162-E165 HydrophobicContact CB-CG 4.17Å; F162-E165 PolarHBondContact O-N 3.48Å; F162-E165 VanDerWaalsContact O-N 3.16Å
163	N	92.5	Very high	97.7	Very high	149 Å²	149	52.2 Å²	52.2	80%	0.797	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	134.4	179.6	-71.2	-20	0	0	0	111	E165	N163-E165 PolarHBondContact O-N 3.11Å
164	N	94	Very high	97.6	Very high	159 Å²	159	58.6 Å²	58.6	85%	0.85	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	6.8	178.3	-54.8	-41.7	0	0	0	115.8	F162	F162-N164 PolarHBondContact O-N 3.45Å
165	E	97.7	Very high	97.5	Very high	75 Å²	75	64.2 Å²	64.2	35%	0.35	32%	0.322	S	S	.	.			trans	-94.9	145.6	170.5	-74.6	-170.2	-125.5	0	0	110.6	N119 W132 K134 F162 N163	N119-E165 PolarHBondContact ND2-O 3.3Å; N119-E165 VanDerWaalsContact ND2-O 3.08Å; W132-E165 HydrophobicContact CH2-CB 3.76Å; W132-E165 HydrophobicContact CZ2-CB 4.11Å; K134-E165 IonicContact NZ-OE2 2.65Å; K134-E165 PolarHBondContact NZ-OE2 3.11Å; F162-E165 HydrophobicContact CB-CB 4.08Å; F162-E165 HydrophobicContact CB-CG 4.17Å; F162-E165 PolarHBondContact O-N 3.48Å; F162-E165 VanDerWaalsContact O-N 3.16Å; N163-E165 PolarHBondContact O-N 3.11Å
166	K	98.5	Very high	97.3	Very high	83 Å²	83	65.5 Å²	65.5	36%	0.361	33%	0.331	S	S	.	.			trans	-90.4	150.6	171.5	-65.5	-170.7	178	72	0	109.6	Y116 N119 Y168	Y116-K166 HydrophobicContact CD1-CD 3.97Å; Y116-K166 HydrophobicContact CE1-CD 3.44Å; Y116-K166 VanDerWaalsContact CE1-CD 3.44Å; Y116-K166 HydrophobicContact CE2-CB 4.17Å; Y116-K166 HydrophobicContact CE2-CD 4.05Å; Y116-K166 HydrophobicContact CG-CD 4.44Å; Y116-K166 VanDerWaalsContact CZ-CD 3.44Å; Y116-K166 WeakPolarHBondContact O-CD 3.49Å; Y116-K166 WeakPolarHBondContact O-CE 3.49Å; N119-K166 HydrophobicContact CB-CG 4.28Å; K166-Y168 VanDerWaalsContact C-N 3.28Å; K166-Y168 PolarHBondContact O-N 3.48Å
167	P	98.6	Very high	97.1	Very high	3 Å²	3	69.2 Å²	69.2	2%	0.019	36%	0.355	C	S	.	.	S	Bend	trans	-66.5	-25.3	-173.3	25.1	-33.9	0	0	0	114.2	Y114 T128 A131 W132 A133	Y114-P167 HydrophobicContact CE1-CG 4.14Å; Y114-P167 WeakPolarHBondContact OH-CD 3.38Å; T128-P167 HydrophobicContact CG2-CG 4.45Å; A131-P167 HydrophobicContact CB-CB 4.11Å; A131-P167 HydrophobicContact CB-CG 4.45Å; W132-P167 CarbonylContact C-O 3.44Å; W132-P167 WeakPolarHBondContact CA-O 3.37Å; W132-P167 VanDerWaalsContact CE3-CA 3.5Å; W132-P167 HydrophobicContact CE3-CB 3.74Å; W132-P167 HydrophobicContact CZ3-CB 4.15Å; A133-P167 PolarHBondContact N-O 3.26Å
168	Y	98.8	Very high	96.7	Very high	8 Å²	8	78.1 Å²	78.1	3%	0.031	39%	0.394	C	S	.	.	S	Bend	trans	-155.9	161.9	-178.7	55.9	-96.1	0	0	0	111.7	L41 P50 A52 M55 Y116 A131 K166 V170	L41-Y168 HydrophobicContact CD1-CE1 4.24Å; L41-Y168 HydrophobicContact CD2-CE1 4.29Å; P50-Y168 HydrophobicContact CG-CE2 4.43Å; P50-Y168 WeakPolarHBondContact O-CE2 3.29Å; P50-Y168 PolarHBondContact O-OH 3.17Å; A52-Y168 HydrophobicContact CB-CD2 3.58Å; A52-Y168 HydrophobicContact CB-CE2 3.97Å; A52-Y168 HydrophobicContact CB-CG 3.9Å; M55-Y168 HydrophobicContact CE-CD1 3.59Å; M55-Y168 HydrophobicContact CE-CE1 4.33Å; M55-Y168 HydrophobicContact CE-CG 3.83Å; Y116-Y168 HydrophobicContact CD2-CE1 4.32Å; Y116-Y168 AromaticContact CD2-CE2 3.98Å; Y116-Y168 HydrophobicContact CD2-CE2 3.98Å; Y116-Y168 AromaticContact CD2-CZ 3.8Å; Y116-Y168 AromaticContact CE2-CD2 3.86Å; Y116-Y168 HydrophobicContact CE2-CD2 3.86Å; Y116-Y168 HydrophobicContact CE2-CE1 4.27Å; Y116-Y168 AromaticContact CE2-CE2 3.58Å; Y116-Y168 HydrophobicContact CE2-CE2 3.58Å; Y116-Y168 HydrophobicContact CE2-CG 4.36Å; Y116-Y168 AromaticContact CE2-CZ 3.81Å; Y116-Y168 WeakPolarHBondContact CE2-O 3.39Å; Y116-Y168 PolarHBondContact OH-O 2.99Å; A131-Y168 HydrophobicContact CB-CD1 4.14Å; A131-Y168 HydrophobicContact CB-CE1 4.2Å; K166-Y168 VanDerWaalsContact C-N 3.28Å; K166-Y168 PolarHBondContact O-N 3.48Å; Y168-V170 HydrophobicContact CE2-CG2 4.21Å
169	E	98.5	Very high	95.8	Very high	122 Å²	122	82.4 Å²	82.4	57%	0.57	42%	0.419	S	S	*	.			trans	-81.4	146.6	168.7	-69.3	-178.5	-171.8	0	0	111.3	K53	K53-E169 HydrophobicContact CB-CB 4.15Å; K53-E169 WeakPolarHBondContact CB-O 3.26Å; K53-E169 HydrophobicContact CD-CB 4.19Å; K53-E169 WeakPolarHBondContact CD-OE2 2.99Å; K53-E169 PolarHBondContact N-O 2.65Å; K53-E169 IonicContact NZ-OE2 2.78Å; K53-E169 PolarHBondContact NZ-OE2 3.34Å
170	V	98.6	Very high	94.7	Very high	61 Å²	61	90.2 Å²	90.2	37%	0.37	46%	0.455	S	S	.	.	B	Isolated β-bridge	trans	-92	142.7	-179.6	172.9	0	0	0	0	111.6	P50 P51 Y116 Y168	P50-V170 HydrophobicContact CB-CB 4.41Å; P50-V170 HydrophobicContact CB-CG1 3.81Å; P50-V170 HydrophobicContact CB-CG2 3.63Å; P50-V170 HydrophobicContact CG-CG2 3.58Å; P51-V170 WeakPolarHBondContact O-CA 2.92Å; Y116-V170 HydrophobicContact CD1-CG2 4.17Å; Y116-V170 HydrophobicContact CE1-CG2 3.42Å; Y116-V170 VanDerWaalsContact CE1-CG2 3.42Å; Y116-V170 HydrophobicContact CE2-CG2 3.99Å; Y116-V170 WeakPolarHBondContact OH-CG2 3.2Å; Y168-V170 HydrophobicContact CE2-CG2 4.21Å
171	K	98.1	Very high	93.1	Very high	25 Å²	25	97.4 Å²	97.4	11%	0.109	49%	0.494	C	S	.	.			trans	-105.9	158.4	163.6	64	178.1	-178.5	174.9	0	111.7	V42 P51 A52 K53 M175	V42-K171 WeakPolarHBondContact O-CE 3.45Å; V42-K171 PolarHBondContact O-NZ 2.91Å; P51-K171 HydrophobicContact CB-CG 4.2Å; P51-K171 HydrophobicContact CG-CG 4.05Å; P51-K171 VanDerWaalsContact CG-O 3.29Å; P51-K171 WeakPolarHBondContact CG-O 3.49Å; P51-K171 PolarHBondContact O-N 2.97Å; A52-K171 WeakPolarHBondContact O-CE 3.43Å; K53-K171 HydrophobicContact CB-CB 4.05Å; K53-K171 HydrophobicContact CG-CB 4.42Å; K171-M175 HydrophobicContact CB-SD 4.38Å; K171-M175 HydrophobicContact CD-CB 4Å; K171-M175 PolarHBondContact NZ-O 3.36Å
172	P	97.7	Very high	91.3	Very high	74 Å²	74	100.4 Å²	100.4	48%	0.481	51%	0.508	S	S	.	.			trans	-59.7	143	168	-28.2	39	0	0	0	112.9	N174 M175	P172-N174 WeakPolarHBondContact CB-OD1 3.1Å; P172-N174 PolarHBondContact O-N 3.12Å; P172-M175 HydrophobicContact CG-CE 4.37Å; P172-M175 WeakPolarHBondContact O-CB 3.03Å; P172-M175 PolarHBondContact O-N 2.86Å
173	R	95.6	Very high	89.3	Confident	152 Å²	152	100.5 Å²	100.5	57%	0.574	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-65.1	-20	179.5	-73.8	-175.6	-163.4	-82.8	-4.9	114.2	Q49 P51 M175 C176	Q49-R173 PolarHBondContact O-NH2 2.83Å; P51-R173 HydrophobicContact CG-CG 4.03Å; R173-M175 PolarHBondContact O-N 3.14Å; R173-C176 WeakPolarHBondContact O-CB 3.38Å; R173-C176 PolarHBondContact O-N 3.46Å; R173-C176 PolarHBondContact O-SG 2.83Å
174	N	95.7	Very high	87.9	Confident	134 Å²	134	103.3 Å²	103.3	72%	0.717	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-69.3	-11.3	173.3	66	-18.3	0	0	0	113	P172	P172-N174 WeakPolarHBondContact CB-OD1 3.1Å; P172-N174 PolarHBondContact O-N 3.12Å
175	M	96.3	Very high	86.1	Confident	117 Å²	117	101.7 Å²	101.7	58%	0.576	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-93.5	12.5	173.7	-57.6	-174	177.8	0	0	113.3	K171 P172 R173	K171-M175 HydrophobicContact CB-SD 4.38Å; K171-M175 HydrophobicContact CD-CB 4Å; K171-M175 PolarHBondContact NZ-O 3.36Å; P172-M175 HydrophobicContact CG-CE 4.37Å; P172-M175 WeakPolarHBondContact O-CB 3.03Å; P172-M175 PolarHBondContact O-N 2.86Å; R173-M175 PolarHBondContact O-N 3.14Å
176	C	96.6	Very high	84	Confident	28 Å²	28	101.5 Å²	101.5	19%	0.189	52%	0.522	C	S	.	.	S	Bend	trans	-72.7	144.7	172	-57.4	0	0	0	0	110.4	C44 R173 K178	C44-C176 HydrophobicContact CB-CB 3.78Å; C44-C176 WeakPolarHBondContact CB-SG 3.48Å; C44-C176 WeakPolarHBondContact SG-CB 3.26Å; C44-C176 CovalentContact SG-SG 1.98Å; C44-C176 PolarHBondContact SG-SG 2.96Å; R173-C176 WeakPolarHBondContact O-CB 3.38Å; R173-C176 PolarHBondContact O-N 3.46Å; R173-C176 PolarHBondContact O-SG 2.83Å; C176-K178 PolarHBondContact O-N 3.43Å
177	P	94.1	Very high	81.9	Confident	79 Å²	79	104.8 Å²	104.8	51%	0.513	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-55.6	128.1	172.1	-22.6	33.4	0	0	0	110.6	D43	D43-P177 HydrophobicContact CB-CG 4.43Å
178	K	90.5	Very high	79.6	Confident	187 Å²	187	112 Å²	112	81%	0.813	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-74.8	136.5	173.5	-63.5	-177	-179	179.9	0	108.5	C176 Q180	C176-K178 PolarHBondContact O-N 3.43Å; K178-Q180 PolarHBondContact O-N 2.94Å
179	V	79.5	Confident	76.9	Confident	131 Å²	131	117.7 Å²	117.7	79%	0.794	61%	0.612	S	S	*	*			trans	-59.5	110.5	169.1	-179	0	0	0	0	107	N181	V179-N181 PolarHBondContact O-N 2.83Å; V179-N181 VanDerWaalsContact O-N 3.17Å
180	Q	75.8	Confident	74.2	Confident	164 Å²	164	117 Å²	117	77%	0.766	62%	0.62	S	S	*	*			trans	-67.5	114.9	168.4	-68.7	-176.9	-13.9	0	0	106.3	K178 I182	K178-Q180 PolarHBondContact O-N 2.94Å; Q180-I182 PolarHBondContact O-N 3Å
181	N	63	Low	71.6	Confident	152 Å²	152	125.8 Å²	125.8	81%	0.813	65%	0.647	S	S	*	*			trans	-63.4	88.7	165.3	-73.9	-37.2	0	0	0	107.1	V179 P183	V179-N181 PolarHBondContact O-N 2.83Å; V179-N181 VanDerWaalsContact O-N 3.17Å; N181-P183 WeakPolarHBondContact O-CD 3.41Å
182	I	60.9	Low	69	Low	115 Å²	115	128.9 Å²	128.9	59%	0.59	68%	0.677	S	S	*	*			trans	-68.9	115.5	168.9	-60.7	179.7	0	0	0	105.8	Q180 K184 S186	Q180-I182 PolarHBondContact O-N 3Å; I182-K184 PolarHBondContact O-N 3.33Å; I182-S186 WeakPolarHBondContact CG2-OG 3.19Å
183	P	54.7	Low	66.1	Low	93 Å²	93	134 Å²	134	60%	0.604	69%	0.694	S	S	*	*			trans	-60.2	131.4	178.1	-19.7	32.6	0	0	0	109.1	N181 N185 S186	N181-P183 WeakPolarHBondContact O-CD 3.41Å; P183-N185 PolarHBondContact O-N 2.77Å; P183-S186 PolarHBondContact O-N 3.34Å; P183-S186 VanDerWaalsContact O-N 3.1Å; P183-S186 PolarHBondContact O-OG 3.29Å
184	K	62.1	Low	63.2	Low	207 Å²	207	133.8 Å²	133.8	90%	0.9	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-52.5	-17.6	-177.6	-70.5	-179.7	178.6	175.8	0	114.3	I182	I182-K184 PolarHBondContact O-N 3.33Å
185	N	55.8	Low	60.2	Low	125 Å²	125	136.3 Å²	136.3	67%	0.668	72%	0.717	S	S	*	*	G	3₁₀ helix	trans	-83.7	-6.7	-179.5	-102.3	18.5	0	0	0	116.1	P183 L187	P183-N185 PolarHBondContact O-N 2.77Å; N185-L187 VanDerWaalsContact C-N 3.27Å; N185-L187 PolarHBondContact O-N 2.77Å
186	S	55.2	Low	57.4	Low	71 Å²	71	138.7 Å²	138.7	50%	0.497	73%	0.727	S	S	.	*	G	3₁₀ helix	trans	-76.1	-10.3	179.8	66.6	0	0	0	0	114.4	I182 P183	I182-S186 WeakPolarHBondContact CG2-OG 3.19Å; P183-S186 PolarHBondContact O-N 3.34Å; P183-S186 VanDerWaalsContact O-N 3.1Å; P183-S186 PolarHBondContact O-OG 3.29Å
187	L	52.9	Low	54.1	Low	153 Å²	153	142.7 Å²	142.7	80%	0.801	75%	0.75	S	S	*	*	G	3₁₀ helix	trans	-87.4	-3.8	177.8	-102.3	93.6	0	0	0	114.9	N185	N185-L187 VanDerWaalsContact C-N 3.27Å; N185-L187 PolarHBondContact O-N 2.77Å
188	Q	51.7	Low	51.2	Low	155 Å²	155	148 Å²	148	72%	0.724	77%	0.768	S	S	*	*	S	Bend	trans	-95.9	-0.8	-171.9	-113.7	175.4	-8.7	0	0	116.2
189	T	40.6	Very low	48.3	Very low	127 Å²	127	148.6 Å²	148.6	78%	0.779	77%	0.77	S	S	*	*	S	Bend	trans	-111.3	65.9	179.9	57.2	0	0	0	0	112.3
190	S	42.2	Very low	46.1	Very low	107 Å²	107	148 Å²	148	75%	0.748	77%	0.769	S	S	*	*	S	Bend	trans	-145	7.2	159.6	65.5	0	0	0	0	114.5
191	R	44.3	Very low	44	Very low	246 Å²	246	148.6 Å²	148.6	93%	0.928	78%	0.776	S	S	*	*	S	Bend	trans	-94.5	6.6	175.5	-86	-177	-179.5	165.3	1.7	115.3
192	A	43.6	Very low	42.5	Very low	89 Å²	89	150.4 Å²	150.4	74%	0.736	78%	0.777	S	S	*	*	S	Bend	trans	-118.4	51.2	-178.6	0	0	0	0	0	112.5
193	H	36.3	Very low	41.1	Very low	183 Å²	183	153.1 Å²	153.1	85%	0.847	79%	0.787	S	S	*	*	S	Bend	trans	-163.2	73.6	156.1	-99.8	-31	0	0	0	111.2
194	T	35.8	Very low	40.3	Very low	147 Å²	147	153.5 Å²	153.5	90%	0.902	79%	0.792	S	S	*	*			trans	-161.9	59.9	149.9	6.1	0	0	0	0	108.1	H196	T194-H196 PolarHBondContact O-N 3.01Å
195	Q	33.1	Very low	39.3	Very low	186 Å²	186	151.9 Å²	151.9	87%	0.869	79%	0.787	S	S	*	*			trans	-79.3	95.6	156.5	-71	178.8	-13.5	0	0	106.5
196	H	36	Very low	38.6	Very low	168 Å²	168	153.3 Å²	153.3	78%	0.778	79%	0.788	S	S	*	*			trans	172.9	116.4	140.7	-107	-97.5	0	0	0	110.6	T194	T194-H196 PolarHBondContact O-N 3.01Å
197	V	28.1	Very low	37.9	Very low	112 Å²	112	158.1 Å²	158.1	68%	0.679	80%	0.799	S	S	*	*			trans	77	99.8	139.4	-177.8	0	0	0	0	117.8
198	Q	33.5	Very low	37.5	Very low	190 Å²	190	155.5 Å²	155.5	89%	0.888	79%	0.79	S	S	*	*				-173.2	145.7	100.3	-90.7	-179.7	2.2	0	0	113
199	K	29.3	Very low	37.3	Very low	199 Å²	199	151.2 Å²	151.2	87%	0.865	78%	0.777	S	S	*	*			trans	-72.1	165.9	-168.8	-84.1	175.9	175.8	174.4	0	114.8
200	P	32.2	Very low	37.3	Very low	119 Å²	119	153.4 Å²	153.4	77%	0.773	77%	0.771	S	S	*	*			trans	-80.1	135.2	-162.5	-3.9	20.6	0	0	0	114.4	K202	P200-K202 PolarHBondContact O-N 2.8Å
201	I	32.1	Very low	37.8	Very low	176 Å²	176	154.2 Å²	154.2	90%	0.903	77%	0.765	S	S	*	*			trans	-77.6	97.1	170.2	-61	170.9	0	0	0	109
202	K	31.5	Very low	38.3	Very low	191 Å²	191	147.2 Å²	147.2	83%	0.83	75%	0.75	S	S	*	*			trans	-97.1	132.5	158.5	-83	-176.4	176.7	-179.6	0	108.4	P200	P200-K202 PolarHBondContact O-N 2.8Å
203	Q	32.4	Very low	38.8	Very low	171 Å²	171	149 Å²	149	80%	0.799	74%	0.743	S	S	*	*			trans	117.8	79.4	164.6	-70.3	-179.9	-7.4	0	0	115.3
204	S	37.1	Very low	39.7	Very low	102 Å²	102	144.9 Å²	144.9	71%	0.713	73%	0.728	S	S	*	*	S	Bend	trans	-125.5	-5.1	151.5	62.3	0	0	0	0	113.6	K206	S204-K206 PolarHBondContact O-N 3.45Å
205	Q	41.4	Very low	40.6	Very low	173 Å²	173	139.9 Å²	139.9	81%	0.808	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-2.4	-174.7	-73.5	-173.4	-36.3	0	0	116
206	K	42	Very low	41.7	Very low	155 Å²	155	140.3 Å²	140.3	67%	0.674	70%	0.699	S	S	*	*	H	α-helix	trans	-85.9	-18.7	176.7	-76.8	-169.4	177.3	-176.6	0	114.7	S204	S204-K206 PolarHBondContact O-N 3.45Å
207	K	40.7	Very low	42.5	Very low	171 Å²	171	139.7 Å²	139.7	74%	0.743	69%	0.693	S	S	*	*	H	α-helix	trans	-78.7	-26.5	-178.9	-147.5	173.8	-174.1	-179.8	0	113.3
208	V	44.2	Very low	43.8	Very low	98 Å²	98	139.2 Å²	139.2	59%	0.594	69%	0.687	S	S	*	*	H	α-helix	trans	-72.9	-34.1	-179.7	-175.1	0	0	0	0	111.8	I211 V212	V208-I211 PolarHBondContact O-N 2.78Å; V208-V212 WeakPolarHBondContact O-CG2 3.37Å; V208-V212 PolarHBondContact O-N 3.38Å
209	S	47.4	Very low	44.8	Very low	65 Å²	65	139.4 Å²	139.4	46%	0.455	68%	0.68	S	S	.	*	H	α-helix	trans	-67.2	-38.1	-179.2	-170.2	0	0	0	0	113.4	I211 V212 Q213	S209-I211 PolarHBondContact O-N 1.98Å; S209-V212 PolarHBondContact O-N 2.75Å; S209-Q213 PolarHBondContact O-N 2.76Å
210	W	41	Very low	46	Very low	173 Å²	173	134.6 Å²	134.6	66%	0.655	66%	0.664	S	S	*	*	H	α-helix	trans	-66.8	-34	178.6	-70.5	105.8	0	0	0	113.3	N214	W210-N214 PolarHBondContact O-N 2.97Å
211	I	52	Low	47.1	Very low	124 Å²	124	135.5 Å²	135.5	64%	0.636	66%	0.657	S	S	*	*	H	α-helix	trans	-70.1	-39.5	179	-63.3	172.1	0	0	0	110.4	V208 S209 G215	V208-I211 PolarHBondContact O-N 2.78Å; S209-I211 PolarHBondContact O-N 1.98Å; I211-G215 PolarHBondContact O-N 3.17Å; I211-G215 VanDerWaalsContact O-N 3.11Å
212	V	55.5	Low	48.3	Very low	100 Å²	100	136 Å²	136	61%	0.606	65%	0.648	S	S	*	*	H	α-helix	trans	-69.3	-40.3	-179.1	178.2	0	0	0	0	111.8	V208 S209	V208-V212 WeakPolarHBondContact O-CG2 3.37Å; V208-V212 PolarHBondContact O-N 3.38Å; S209-V212 PolarHBondContact O-N 2.75Å
213	Q	54	Low	49.5	Very low	125 Å²	125	134.2 Å²	134.2	58%	0.584	64%	0.64	S	S	*	*	H	α-helix	trans	-72.8	-39.9	-177.9	-69.5	-170.3	-8.2	0	0	113	S209	S209-Q213 PolarHBondContact O-N 2.76Å
214	N	54.6	Low	50.7	Low	98 Å²	98	133.2 Å²	133.2	52%	0.524	64%	0.635	S	S	.	*	H	α-helix	trans	-78.3	-33.3	-179.3	-72.2	-14.9	0	0	0	112.8	W210 R216 K217	W210-N214 PolarHBondContact O-N 2.97Å; N214-R216 PolarHBondContact O-N 3.22Å; N214-K217 PolarHBondContact O-N 3.23Å
215	G	54.1	Low	51.6	Low	41 Å²	41	132.3 Å²	132.3	42%	0.423	63%	0.629	S	S	.	*	H	α-helix	trans	-65.2	-23.9	176	0	0	0	0	0	114.3	I211	I211-G215 PolarHBondContact O-N 3.17Å; I211-G215 VanDerWaalsContact O-N 3.11Å
216	R	56.1	Low	52.3	Low	196 Å²	196	134.7 Å²	134.7	74%	0.74	63%	0.631	S	S	*	*	H	α-helix	trans	-80	-31	179.4	-157.2	173.3	-172.8	174.7	1.4	113	N214 N220	N214-R216 PolarHBondContact O-N 3.22Å; R216-N220 PolarHBondContact O-N 3.26Å
217	K	54.4	Low	53	Low	154 Å²	154	132.2 Å²	132.2	67%	0.67	63%	0.633	S	S	*	*	H	α-helix	trans	-69.6	-40.2	175.7	-74.3	-173.5	176.9	-179.9	0	111.7	N214 R219 N220 Q221	N214-K217 PolarHBondContact O-N 3.23Å; K217-R219 PolarHBondContact O-N 2.92Å; K217-N220 PolarHBondContact O-N 3.23Å; K217-Q221 PolarHBondContact O-N 3.06Å
218	D	54.6	Low	53.4	Low	102 Å²	102	134.6 Å²	134.6	55%	0.545	64%	0.637	S	S	.	*	H	α-helix	trans	-67.2	-35.7	-177.6	-143.9	5.2	0	0	0	112.4	R222	D218-R222 PolarHBondContact O-N 3.17Å
219	R	54.2	Low	53.9	Low	195 Å²	195	144 Å²	144	74%	0.736	66%	0.664	S	S	*	*	H	α-helix	trans	-67	-34.6	172.8	-87.6	-171.2	-164.8	-170.3	4.3	114	K217 K223	K217-R219 PolarHBondContact O-N 2.92Å; R219-K223 PolarHBondContact O-N 2.97Å
220	N	54.3	Low	54.3	Low	98 Å²	98	147.9 Å²	147.9	52%	0.524	67%	0.674	S	S	.	*	H	α-helix	trans	-74.4	-35.3	-179.1	-85.2	-0.4	0	0	0	111.9	R216 K217 K223 Q224	R216-N220 PolarHBondContact O-N 3.26Å; K217-N220 PolarHBondContact O-N 3.23Å; N220-K223 PolarHBondContact O-N 2.84Å; N220-Q224 PolarHBondContact O-N 3.42Å
221	Q	56.3	Low	55	Low	137 Å²	137	146.6 Å²	146.6	64%	0.64	68%	0.675	S	S	*	*	H	α-helix	trans	-65.4	-39.7	174.5	-70.3	-174	0.6	0	0	112	K217 K223 Q224 S225	K217-Q221 PolarHBondContact O-N 3.06Å; Q221-K223 VanDerWaalsContact C-N 3.27Å; Q221-K223 PolarHBondContact O-N 3.31Å; Q221-Q224 PolarHBondContact O-N 3.1Å; Q221-S225 PolarHBondContact O-N 3.36Å
222	R	56.4	Low	55.1	Low	188 Å²	188	147.8 Å²	147.8	71%	0.709	68%	0.677	S	S	*	*	H	α-helix	trans	-66.4	-22.1	174.5	-86.3	-177.4	172.9	174.9	-0.6	114.9	D218 S225	D218-R222 PolarHBondContact O-N 3.17Å; R222-S225 PolarHBondContact O-OG 2.81Å
223	K	57.2	Low	55.1	Low	153 Å²	153	150.6 Å²	150.6	67%	0.665	68%	0.682	S	S	*	*	H	α-helix	trans	-82.7	-33.8	176.1	-77	-173.7	175.6	-171.1	0	112.5	R219 N220 Q221	R219-K223 PolarHBondContact O-N 2.97Å; N220-K223 PolarHBondContact O-N 2.84Å; Q221-K223 VanDerWaalsContact C-N 3.27Å; Q221-K223 PolarHBondContact O-N 3.31Å
224	Q	56.5	Low	55.2	Low	149 Å²	149	152.3 Å²	152.3	70%	0.696	69%	0.688	S	S	*	*	H	α-helix	trans	-73.8	-30.8	178.5	-76.5	178.1	-16.6	0	0	113	N220 Q221 R226	N220-Q224 PolarHBondContact O-N 3.42Å; Q221-Q224 PolarHBondContact O-N 3.1Å; Q224-R226 VanDerWaalsContact C-N 3.3Å; Q224-R226 PolarHBondContact O-N 3.36Å
225	S	57.6	Low	55.2	Low	83 Å²	83	155.9 Å²	155.9	58%	0.58	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	-17.3	176.1	62.1	0	0	0	0	114.2	Q221 R222	Q221-S225 PolarHBondContact O-N 3.36Å; R222-S225 PolarHBondContact O-OG 2.81Å
226	R	54.9	Low	55.3	Low	224 Å²	224	164.1 Å²	164.1	85%	0.845	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	-1.9	179.2	-79.4	-175.3	169.1	-175.7	-3.5	114.9	Q224	Q224-R226 VanDerWaalsContact C-N 3.3Å; Q224-R226 PolarHBondContact O-N 3.36Å
227	S	57.3	Low	55.2	Low	102 Å²	102	161.6 Å²	161.6	71%	0.713	72%	0.717	S	S	*	*	S	Bend	trans	-107	11	179.5	-174.6	0	0	0	0	113.6
228	R	48.7	Very low	55.3	Low	221 Å²	221	162.3 Å²	162.3	83%	0.834	72%	0.721	S	S	*	*			trans	-122.7	69.1	169.9	-67.4	-170.3	-161.1	179.5	4.7	109.7
229	Y	55.7	Low	55.4	Low	295 Å²	295	167.7 Å²	167.7	100%	1.157	74%	0.736	S	S	*	*			trans	-145.9	0	153.9	-89.4	-80	0	0	0	106.9

Retrieved 229 of 229 residues in 60 ms (Link to these results)

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