A0A087XMT9_POEFO Loading...

Enoyl-CoA hydratase, mitochondrial

AlphaFold DB , UniProt , Accession A0A087XMT9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 291 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	36.8	Very low	33.3	Very low	248 Å²	248	157.7 Å²	157.7	100%	1.222	87%	0.868	S	S	*	*				0	122.5	0	-161.5	164	156.2	0	0	106.8
2	A	36	Very low	33.3	Very low	102 Å²	102	159.2 Å²	159.2	84%	0.843	87%	0.872	S	S	*	*			trans	70.9	105.9	179.2	0	0	0	0	0	118.5
3	F	30.3	Very low	33.2	Very low	204 Å²	204	162.5 Å²	162.5	90%	0.895	87%	0.873	S	S	*	*			trans	-56.9	146.1	159.2	-100.8	-111.4	0	0	0	111.9
4	L	34.3	Very low	33.2	Very low	165 Å²	165	158.9 Å²	158.9	86%	0.864	87%	0.867	S	S	*	*			trans	-162.5	125.9	144.2	-101.8	144.3	0	0	0	112.4
5	C	31	Very low	33.2	Very low	115 Å²	115	156.3 Å²	156.3	78%	0.777	86%	0.864	S	S	*	*			trans	58.9	108.6	150	-72.1	0	0	0	0	121.6
6	R	33.7	Very low	33.3	Very low	231 Å²	231	161.9 Å²	161.9	87%	0.872	87%	0.868	S	S	*	*			trans	-137.7	148.8	146.3	-95.3	-170.7	179.8	-144	0.9	111.6
7	N	32.9	Very low	33.3	Very low	142 Å²	142	158.2 Å²	158.2	76%	0.759	87%	0.865	S	S	*	*			trans	84.1	110.7	159.5	-60.1	-10.9	0	0	0	116.5
8	A	32.6	Very low	33.5	Very low	90 Å²	90	154.6 Å²	154.6	74%	0.744	86%	0.86	S	S	*	*				89.8	111.8	57.4	0	0	0	0	0	112.7
9	A	33.8	Very low	33.4	Very low	93 Å²	93	153 Å²	153	77%	0.769	86%	0.858	S	S	*	*			trans	48.9	119.1	147.6	0	0	0	0	0	119.6
10	L	32.1	Very low	33.5	Very low	175 Å²	175	150.1 Å²	150.1	92%	0.916	85%	0.854	S	S	*	*				-153.9	119.1	129.8	-133.8	80.4	0	0	0	110.8	L12	L10-L12 PolarHBondContact O-N 3.31Å
11	L	32.7	Very low	33.4	Very low	170 Å²	170	151.3 Å²	151.3	89%	0.89	86%	0.857	S	S	*	*			trans	-69.5	116.4	173.3	-84.6	138.6	0	0	0	110.1	K13	L11-K13 PolarHBondContact O-N 3.27Å
12	L	33.1	Very low	33.3	Very low	175 Å²	175	147.5 Å²	147.5	92%	0.916	84%	0.84	S	S	*	*			trans	-77.6	106.9	168.2	-84.1	148.6	0	0	0	109.6	L10	L10-L12 PolarHBondContact O-N 3.31Å
13	K	32.2	Very low	33.3	Very low	202 Å²	202	148 Å²	148	88%	0.878	84%	0.838	S	S	*	*			trans	-79.3	116.8	164.1	-79.5	179	175.2	178	0	108.6	L11 S15	L11-K13 PolarHBondContact O-N 3.27Å; K13-S15 PolarHBondContact O-N 2.99Å
14	S	33.2	Very low	33.7	Very low	113 Å²	113	142.8 Å²	142.8	79%	0.79	83%	0.832	S	S	*	*			trans	-72.1	113.6	171	63	0	0	0	0	110.3
15	S	33.8	Very low	34	Very low	119 Å²	119	139.6 Å²	139.6	83%	0.832	82%	0.824	S	S	*	*			trans	-83.7	115.5	166.7	49.7	0	0	0	0	109.3	K13 A17	K13-S15 PolarHBondContact O-N 2.99Å; S15-A17 PolarHBondContact O-N 3.34Å
16	R	34.1	Very low	34.3	Very low	246 Å²	246	144.7 Å²	144.7	93%	0.928	83%	0.827	S	S	*	*			trans	-77.2	113.5	167.9	-78.4	-179.4	173.8	-178.9	-2.3	108.1
17	A	34	Very low	34.6	Very low	99 Å²	99	140.9 Å²	140.9	82%	0.818	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-70	131.2	169.6	0	0	0	0	0	109.8	S15	S15-A17 PolarHBondContact O-N 3.34Å
18	A	35.8	Very low	35	Very low	93 Å²	93	144 Å²	144	77%	0.769	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-76.6	142.2	172.2	0	0	0	0	0	110.1
19	P	32.4	Very low	35.3	Very low	125 Å²	125	145.2 Å²	145.2	81%	0.812	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-76.2	133.7	177.5	10.7	2.7	0	0	0	110.4	L21	P19-L21 PolarHBondContact O-N 2.69Å
20	A	34.6	Very low	35.8	Very low	94 Å²	94	145.9 Å²	145.9	78%	0.777	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-62	124.2	170.2	0	0	0	0	0	109.9	L22	A20-L22 PolarHBondContact O-N 3.1Å
21	L	33.1	Very low	36.3	Very low	176 Å²	176	140 Å²	140	92%	0.921	81%	0.81	S	S	*	*			trans	-67.1	99.2	171.3	-82.1	152.5	0	0	0	108.8	P19 S23	P19-L21 PolarHBondContact O-N 2.69Å; L21-S23 PolarHBondContact O-N 2.91Å; L21-S23 VanDerWaalsContact O-N 3.1Å
22	L	34.6	Very low	37.5	Very low	168 Å²	168	134.8 Å²	134.8	88%	0.88	80%	0.797	S	S	*	*			trans	-63.4	105.3	163	-81.9	154.6	0	0	0	107.8	A20 A24	A20-L22 PolarHBondContact O-N 3.1Å; L22-A24 PolarHBondContact O-N 3.28Å; L22-A24 VanDerWaalsContact O-N 3.08Å
23	S	36.1	Very low	40	Very low	114 Å²	114	136 Å²	136	80%	0.797	80%	0.798	S	S	*	*			trans	-63.9	106.1	168.5	-176.7	0	0	0	0	108.2	L21 S25	L21-S23 PolarHBondContact O-N 2.91Å; L21-S23 VanDerWaalsContact O-N 3.1Å; S23-S25 PolarHBondContact O-N 2.94Å; S23-S25 VanDerWaalsContact O-N 3.1Å
24	A	37.1	Very low	43.1	Very low	93 Å²	93	128.8 Å²	128.8	77%	0.769	77%	0.765	S	S	*	*			trans	-71.5	99.6	171.6	0	0	0	0	0	108.5	L22 R26	L22-A24 PolarHBondContact O-N 3.28Å; L22-A24 VanDerWaalsContact O-N 3.08Å; A24-R26 PolarHBondContact O-N 3.26Å
25	S	40.5	Very low	46.2	Very low	98 Å²	98	129.6 Å²	129.6	69%	0.685	76%	0.757	S	S	*	*			trans	-60	114	165.5	33.4	0	0	0	0	108.6	S23 L27	S23-S25 PolarHBondContact O-N 2.94Å; S23-S25 VanDerWaalsContact O-N 3.1Å; S25-L27 PolarHBondContact O-N 3.09Å; S25-L27 VanDerWaalsContact O-N 3.07Å
26	R	37.4	Very low	49.2	Very low	222 Å²	222	126.5 Å²	126.5	84%	0.838	73%	0.727	S	S	*	*			trans	-68.1	105.5	172.6	-75	-177.7	-172.9	-162.3	1.6	108.4	A24 Y28	A24-R26 PolarHBondContact O-N 3.26Å; R26-Y28 PolarHBondContact O-N 2.94Å
27	L	40.1	Very low	52.3	Low	152 Å²	152	114.9 Å²	114.9	80%	0.796	68%	0.684	S	S	*	*			trans	-59.9	105.2	163.1	-73.2	161.2	0	0	0	107.8	S25 S29	S25-L27 PolarHBondContact O-N 3.09Å; S25-L27 VanDerWaalsContact O-N 3.07Å; L27-S29 PolarHBondContact O-N 3.37Å; L27-S29 VanDerWaalsContact O-N 3.15Å
28	Y	41.7	Very low	55.4	Low	206 Å²	206	114.1 Å²	114.1	81%	0.808	67%	0.665	S	S	*	*			trans	-73.6	103.7	168.4	-104.2	-88.6	0	0	0	108.3	R26 S30	R26-Y28 PolarHBondContact O-N 2.94Å; Y28-S30 PolarHBondContact O-N 3.44Å
29	S	39.7	Very low	58.4	Low	116 Å²	116	111.9 Å²	111.9	81%	0.811	64%	0.642	S	S	*	*			trans	-80	92.2	166	165.5	0	0	0	0	108.9	L27	L27-S29 PolarHBondContact O-N 3.37Å; L27-S29 VanDerWaalsContact O-N 3.15Å
30	S	43	Very low	61.5	Low	108 Å²	108	109.2 Å²	109.2	76%	0.755	62%	0.618	S	S	*	*			trans	-147.5	82	158.1	62.7	0	0	0	0	109.3	Y28	Y28-S30 PolarHBondContact O-N 3.44Å
31	G	42.5	Very low	64.5	Low	52 Å²	52	108.4 Å²	108.4	54%	0.536	60%	0.597	S	S	.	*	S	Bend	trans	153.6	133	-177.3	0	0	0	0	0	107.3
32	G	58.9	Low	67.6	Low	60 Å²	60	103.4 Å²	103.4	62%	0.619	57%	0.566	S	S	*	*			trans	-47.6	146.4	-170.4	0	0	0	0	0	113.6	Y34	G32-Y34 PolarHBondContact O-N 3.11Å
33	Q	85.5	Confident	70.6	Confident	199 Å²	199	96.3 Å²	96.3	93%	0.93	53%	0.534	S	S	*	.			trans	-61.6	109.5	177.7	-171.5	173.8	5.6	0	0	109
34	Y	96.8	Very high	73.3	Confident	51 Å²	51	98.4 Å²	98.4	20%	0.2	54%	0.536	C	S	.	.			trans	-71.6	141.2	175.8	-61.9	-67.8	0	0	0	110.8	G32 I37 V39 E69 Q72 A73	G32-Y34 PolarHBondContact O-N 3.11Å; Y34-I37 WeakPolarHBondContact CB-O 3.4Å; Y34-I37 HydrophobicContact CD1-CD1 3.95Å; Y34-I37 HydrophobicContact CD1-CG1 3.97Å; Y34-I37 HydrophobicContact CD2-CD1 4.23Å; Y34-I37 HydrophobicContact CD2-CG1 4.06Å; Y34-I37 HydrophobicContact CE1-CD1 4.21Å; Y34-I37 HydrophobicContact CE2-CD1 4.49Å; Y34-I37 HydrophobicContact CG-CD1 3.96Å; Y34-I37 HydrophobicContact CG-CG1 3.6Å; Y34-V39 HydrophobicContact CD2-CB 4.12Å; Y34-V39 HydrophobicContact CD2-CG2 3.58Å; Y34-V39 HydrophobicContact CE2-CB 3.92Å; Y34-V39 HydrophobicContact CE2-CG1 4.46Å; Y34-V39 HydrophobicContact CE2-CG2 3.49Å; Y34-V39 VanDerWaalsContact CE2-CG2 3.49Å; Y34-E69 HydrophobicContact CD1-CB 3.75Å; Y34-E69 HydrophobicContact CD1-CG 3.81Å; Y34-E69 HydrophobicContact CE1-CB 4.26Å; Y34-Q72 HydrophobicContact CE1-CB 4.26Å; Y34-A73 HydrophobicContact CE2-CB 4.49Å
35	E	97.7	Very high	76.1	Confident	131 Å²	131	101.8 Å²	101.8	61%	0.612	53%	0.534	S	S	*	.	S	Bend	trans	-87.1	-41.6	177.3	-172.8	-177.1	151.3	0	0	111.8	E69	E35-E69 PolarHBondContact N-OE1 3.15Å; E35-E69 PolarHBondContact N-OE2 3.32Å
36	Y	98.3	Very high	78.9	Confident	53 Å²	53	101.3 Å²	101.3	21%	0.208	52%	0.524	C	S	.	.	S	Bend	trans	-107.8	-8.5	-167.1	-54.1	-60.8	0	0	0	114.3	N54 R55 G65 L66 E69	Y36-N54 CarbonylContact O-C 3.45Å; Y36-N54 WeakPolarHBondContact O-CA 3.35Å; Y36-N54 PolarHBondContact O-N 3.32Å; Y36-R55 HydrophobicContact CD1-CG 4.47Å; Y36-G65 VanDerWaalsContact CD2-C 3.49Å; Y36-L66 HydrophobicContact CD2-CB 4.19Å; Y36-L66 HydrophobicContact CG-CB 4.02Å; Y36-E69 WeakPolarHBondContact CA-OE2 3.48Å; Y36-E69 WeakPolarHBondContact CB-OE2 3.28Å; Y36-E69 PolarHBondContact N-OE2 2.82Å
37	I	98.6	Very high	81.7	Confident	3 Å²	3	91.5 Å²	91.5	2%	0.015	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	154.6	179.4	63.3	173.5	0	0	0	111.6	Y34 V39 I51 Q52 L53 L66 E69 A73	Y34-I37 WeakPolarHBondContact CB-O 3.4Å; Y34-I37 HydrophobicContact CD1-CD1 3.95Å; Y34-I37 HydrophobicContact CD1-CG1 3.97Å; Y34-I37 HydrophobicContact CD2-CD1 4.23Å; Y34-I37 HydrophobicContact CD2-CG1 4.06Å; Y34-I37 HydrophobicContact CE1-CD1 4.21Å; Y34-I37 HydrophobicContact CE2-CD1 4.49Å; Y34-I37 HydrophobicContact CG-CD1 3.96Å; Y34-I37 HydrophobicContact CG-CG1 3.6Å; I37-V39 HydrophobicContact CD1-CG2 3.64Å; I37-V39 HydrophobicContact CG1-CG2 3.97Å; I37-I51 HydrophobicContact CB-CG2 4.2Å; I37-I51 HydrophobicContact CD1-CG2 4.09Å; I37-I51 HydrophobicContact CG2-CG2 4.35Å; I37-Q52 CarbonylContact C-O 3.57Å; I37-Q52 WeakPolarHBondContact CA-O 3.43Å; I37-L53 HydrophobicContact CG2-CD2 3.86Å; I37-L66 HydrophobicContact CG2-CG 4.41Å; I37-E69 HydrophobicContact CD1-CB 3.85Å; I37-E69 WeakPolarHBondContact CD1-O 3.38Å; I37-E69 HydrophobicContact CG1-CB 4.04Å; I37-E69 PolarHBondContact N-OE2 2.82Å; I37-A73 HydrophobicContact CD1-CB 3.74Å
38	L	98.4	Very high	84.5	Confident	83 Å²	83	84.3 Å²	84.3	44%	0.435	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	134.8	166.1	-57.5	174.8	0	0	0	108.1	I51 Q52 N54	L38-I51 WeakPolarHBondContact O-CA 2.99Å; L38-Q52 HydrophobicContact CB-CB 4.34Å; L38-Q52 PolarHBondContact N-O 3.19Å; L38-Q52 PolarHBondContact O-N 3.47Å; L38-N54 HydrophobicContact CD1-CB 4.34Å; L38-N54 HydrophobicContact CG-CB 3.88Å
39	V	98.4	Very high	87.2	Confident	45 Å²	45	74.5 Å²	74.5	27%	0.273	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	130	-175.6	-178.4	0	0	0	0	109.5	Y34 I37 F50 I51 A73 F77	Y34-V39 HydrophobicContact CD2-CB 4.12Å; Y34-V39 HydrophobicContact CD2-CG2 3.58Å; Y34-V39 HydrophobicContact CE2-CB 3.92Å; Y34-V39 HydrophobicContact CE2-CG1 4.46Å; Y34-V39 HydrophobicContact CE2-CG2 3.49Å; Y34-V39 VanDerWaalsContact CE2-CG2 3.49Å; I37-V39 HydrophobicContact CD1-CG2 3.64Å; I37-V39 HydrophobicContact CG1-CG2 3.97Å; V39-F50 WeakPolarHBondContact CA-O 3.3Å; V39-I51 HydrophobicContact CG2-CG2 4.47Å; V39-A73 HydrophobicContact CG2-CB 3.84Å; V39-F77 HydrophobicContact CG1-CE1 4.23Å; V39-F77 HydrophobicContact CG1-CE2 3.58Å; V39-F77 HydrophobicContact CG1-CZ 3.31Å
40	E	97.8	Very high	90.1	Very high	69 Å²	69	69 Å²	69	32%	0.322	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	168.4	176.6	67	-170.8	154.2	0	0	111.4	R42 F50 F77	E40-R42 HydrophobicContact CG-CG 3.99Å; E40-R42 IonicContact OE1-CZ 3.96Å; E40-R42 IonicContact OE1-NE 2.67Å; E40-R42 PolarHBondContact OE1-NE 2.97Å; E40-R42 IonicContact OE1-NH2 3.09Å; E40-R42 PolarHBondContact OE1-NH2 3.09Å; E40-F50 HydrophobicContact CG-CB 3.92Å; E40-F50 HydrophobicContact CG-CD1 3.81Å; E40-F50 HydrophobicContact CG-CG 4.25Å; E40-F50 PolarHBondContact N-O 3.23Å; E40-F50 WeakPolarHBondContact O-CB 3.42Å; E40-F50 PolarHBondContact O-N 3.15Å; E40-F50 VanDerWaalsContact OE1-CD1 3.27Å; E40-F50 WeakPolarHBondContact OE1-CD1 3.31Å; E40-F77 WeakPolarHBondContact O-CZ 3.05Å
41	K	98.4	Very high	92.7	Very high	77 Å²	77	63.9 Å²	63.9	34%	0.335	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	138.3	167.8	-59.5	-175.1	174.7	-170.5	0	108.8	N46 V48 F77 D80 D82 I83	K41-N46 HydrophobicContact CB-CB 3.86Å; K41-N46 HydrophobicContact CD-CB 4.29Å; K41-V48 CarbonylContact C-O 3.59Å; K41-V48 WeakPolarHBondContact CA-O 3.45Å; K41-F77 HydrophobicContact CG-CE1 4.34Å; K41-D80 WeakPolarHBondContact CE-OD2 3.26Å; K41-D80 IonicContact NZ-OD1 3.43Å; K41-D80 IonicContact NZ-OD2 3.06Å; K41-D80 PolarHBondContact NZ-OD2 3.33Å; K41-D82 IonicContact NZ-OD2 2.72Å; K41-I83 HydrophobicContact CD-CD1 4.01Å; K41-I83 HydrophobicContact CG-CD1 3.96Å
42	R	98.3	Very high	95.4	Very high	71 Å²	71	63.6 Å²	63.6	27%	0.268	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	176.3	176.6	-66.8	-164.3	-179.7	-164.9	2.6	111.4	E40 N46 N47 V48 F50 V224	E40-R42 HydrophobicContact CG-CG 3.99Å; E40-R42 IonicContact OE1-CZ 3.96Å; E40-R42 IonicContact OE1-NE 2.67Å; E40-R42 PolarHBondContact OE1-NE 2.97Å; E40-R42 IonicContact OE1-NH2 3.09Å; E40-R42 PolarHBondContact OE1-NH2 3.09Å; R42-N46 CarbonylContact O-C 3.55Å; R42-N46 VanDerWaalsContact O-CA 3.32Å; R42-N46 WeakPolarHBondContact O-CA 3.47Å; R42-N47 PolarHBondContact O-N 3Å; R42-V48 PolarHBondContact N-O 3.1Å; R42-V48 WeakPolarHBondContact O-CB 3.38Å; R42-V48 PolarHBondContact O-N 2.83Å; R42-V48 VanDerWaalsContact O-N 3.09Å; R42-F50 HydrophobicContact CB-CB 4.38Å; R42-F50 HydrophobicContact CG-CB 3.83Å; R42-F50 HydrophobicContact CG-CD2 4.44Å; R42-F50 HydrophobicContact CG-CG 4.09Å; R42-F50 VanDerWaalsContact CZ-CE1 3.48Å; R42-F50 VanDerWaalsContact CZ-CZ 3.46Å; R42-F50 VanDerWaalsContact NH2-CE1 3.28Å; R42-V224 HydrophobicContact CB-CG1 4.02Å; R42-V224 HydrophobicContact CB-CG2 4.18Å
43	G	96.9	Very high	97.3	Very high	20 Å²	20	60.9 Å²	60.9	21%	0.206	29%	0.293	C	S	.	.	S	Bend	trans	89.2	160.8	-173.3	0	0	0	0	0	111.7	K45 N46 E228	G43-K45 PolarHBondContact O-N 3.12Å; G43-N46 PolarHBondContact O-N 3.19Å; G43-E228 VanDerWaalsContact CA-CD 3.49Å; G43-E228 WeakPolarHBondContact CA-OE1 3.47Å
44	D	94.3	Very high	97.9	Very high	157 Å²	157	54.2 Å²	54.2	84%	0.84	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-29	-177	-69.8	-16.3	0	0	0	112.2	E228	D44-E228 PolarHBondContact N-OE1 3.07Å
45	K	95.6	Very high	97.9	Very high	164 Å²	164	54.6 Å²	54.6	71%	0.713	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	8.9	179.8	-61.2	-174.1	179.7	-174.2	0	114.1	G43 N47	G43-K45 PolarHBondContact O-N 3.12Å; K45-N47 HydrophobicContact CB-CB 4.26Å; K45-N47 PolarHBondContact O-N 3.44Å
46	N	97.6	Very high	97.8	Very high	89 Å²	89	51.9 Å²	51.9	48%	0.476	26%	0.258	S	S	.	.	S	Bend	trans	52.3	35.1	-171.7	-63.5	-55	0	0	0	113.1	K41 R42 G43 I83	K41-N46 HydrophobicContact CB-CB 3.86Å; K41-N46 HydrophobicContact CD-CB 4.29Å; R42-N46 CarbonylContact O-C 3.55Å; R42-N46 VanDerWaalsContact O-CA 3.32Å; R42-N46 WeakPolarHBondContact O-CA 3.47Å; G43-N46 PolarHBondContact O-N 3.19Å; N46-I83 WeakPolarHBondContact O-CD1 3.22Å
47	N	97.9	Very high	97.6	Very high	16 Å²	16	59.7 Å²	59.7	9%	0.086	29%	0.294	C	S	.	.			trans	-101.1	6.6	-174.4	64.6	-21.2	0	0	0	113.4	R42 K45 D82 I83 G84 A231	R42-N47 PolarHBondContact O-N 3Å; K45-N47 HydrophobicContact CB-CB 4.26Å; K45-N47 PolarHBondContact O-N 3.44Å; N47-D82 VanDerWaalsContact CA-O 3.27Å; N47-D82 WeakPolarHBondContact CA-O 3.33Å; N47-D82 VanDerWaalsContact CB-O 3.26Å; N47-D82 WeakPolarHBondContact CB-O 3.4Å; N47-I83 WeakPolarHBondContact O-CA 3.39Å; N47-G84 PolarHBondContact O-N 2.74Å; N47-A231 HydrophobicContact CB-CB 4.15Å; N47-A231 WeakPolarHBondContact ND2-CB 3.5Å; N47-A231 WeakPolarHBondContact O-CB 3.46Å
48	V	98.9	Very high	97.5	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	121.5	174.3	-177.8	0	0	0	0	108.9	K41 R42 A85 V87 G227 E228	K41-V48 CarbonylContact C-O 3.59Å; K41-V48 WeakPolarHBondContact CA-O 3.45Å; R42-V48 PolarHBondContact N-O 3.1Å; R42-V48 WeakPolarHBondContact O-CB 3.38Å; R42-V48 PolarHBondContact O-N 2.83Å; R42-V48 VanDerWaalsContact O-N 3.09Å; V48-A85 WeakPolarHBondContact CA-O 3.06Å; V48-V87 HydrophobicContact CG1-CB 4.48Å; V48-V87 HydrophobicContact CG1-CG2 3.81Å; V48-G227 VanDerWaalsContact CG2-C 3.48Å; V48-E228 HydrophobicContact CG2-CB 4.46Å; V48-E228 HydrophobicContact CG2-CG 3.77Å
49	G	98.8	Very high	97.4	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	133.5	169.7	0	0	0	0	0	108.9	F77 A85 V86 V87	G49-F77 VanDerWaalsContact CA-CZ 3.44Å; G49-A85 PolarHBondContact N-O 3.06Å; G49-V86 CarbonylContact O-C 3.59Å; G49-V86 VanDerWaalsContact O-CA 3.26Å; G49-V86 WeakPolarHBondContact O-CA 3.39Å; G49-V87 PolarHBondContact O-N 3.1Å
50	F	98.8	Very high	97.4	Very high	1 Å²	1	57.1 Å²	57.1	0%	0.004	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	123.5	-178.3	-175.9	-92.7	0	0	0	109.7	V39 E40 R42 Q52 V87 T89 I220 V224	V39-F50 WeakPolarHBondContact CA-O 3.3Å; E40-F50 HydrophobicContact CG-CB 3.92Å; E40-F50 HydrophobicContact CG-CD1 3.81Å; E40-F50 HydrophobicContact CG-CG 4.25Å; E40-F50 PolarHBondContact N-O 3.23Å; E40-F50 WeakPolarHBondContact O-CB 3.42Å; E40-F50 PolarHBondContact O-N 3.15Å; E40-F50 VanDerWaalsContact OE1-CD1 3.27Å; E40-F50 WeakPolarHBondContact OE1-CD1 3.31Å; R42-F50 HydrophobicContact CB-CB 4.38Å; R42-F50 HydrophobicContact CG-CB 3.83Å; R42-F50 HydrophobicContact CG-CD2 4.44Å; R42-F50 HydrophobicContact CG-CG 4.09Å; R42-F50 VanDerWaalsContact CZ-CE1 3.48Å; R42-F50 VanDerWaalsContact CZ-CZ 3.46Å; R42-F50 VanDerWaalsContact NH2-CE1 3.28Å; F50-Q52 HydrophobicContact CE1-CB 3.86Å; F50-Q52 HydrophobicContact CZ-CB 4.49Å; F50-V87 HydrophobicContact CD2-CB 3.96Å; F50-V87 HydrophobicContact CD2-CG1 3.89Å; F50-V87 HydrophobicContact CE2-CG1 3.93Å; F50-T89 HydrophobicContact CE1-CG2 4.09Å; F50-T89 HydrophobicContact CE2-CG2 3.88Å; F50-T89 HydrophobicContact CZ-CG2 3.39Å; F50-I220 HydrophobicContact CE2-CG2 3.79Å; F50-I220 HydrophobicContact CZ-CG2 4.04Å; F50-V224 HydrophobicContact CD2-CG2 4.26Å
51	I	98.9	Very high	97.4	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	120.3	178.9	-52.9	176	0	0	0	108.1	I37 L38 V39 L70 A73 L74 F77 V86 V87 I88 T89	I37-I51 HydrophobicContact CB-CG2 4.2Å; I37-I51 HydrophobicContact CD1-CG2 4.09Å; I37-I51 HydrophobicContact CG2-CG2 4.35Å; L38-I51 WeakPolarHBondContact O-CA 2.99Å; V39-I51 HydrophobicContact CG2-CG2 4.47Å; I51-L70 HydrophobicContact CB-CD1 4.49Å; I51-L70 HydrophobicContact CD1-CD1 3.84Å; I51-L70 HydrophobicContact CG2-CD1 3.8Å; I51-A73 HydrophobicContact CD1-CB 3.74Å; I51-A73 HydrophobicContact CG1-CB 4.29Å; I51-L74 HydrophobicContact CD1-CD2 4.11Å; I51-L74 HydrophobicContact CD1-CG 4.11Å; I51-F77 HydrophobicContact CD1-CD2 4.12Å; I51-F77 HydrophobicContact CD1-CE2 4.16Å; I51-F77 HydrophobicContact CG1-CD2 4.14Å; I51-F77 HydrophobicContact CG1-CE2 3.68Å; I51-V86 HydrophobicContact CD1-CG1 3.97Å; I51-V86 HydrophobicContact CG1-CG1 4.22Å; I51-V87 PolarHBondContact N-O 2.9Å; I51-I88 HydrophobicContact CB-CG1 4.41Å; I51-I88 CarbonylContact O-C 3.53Å; I51-I88 WeakPolarHBondContact O-CA 3.41Å; I51-T89 PolarHBondContact O-N 3.14Å
52	Q	98.8	Very high	97.4	Very high	47 Å²	47	50.8 Å²	50.8	22%	0.22	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	120.6	172.9	175.1	173.2	-16.2	0	0	110.2	I37 L38 F50 N54 T89	I37-Q52 CarbonylContact C-O 3.57Å; I37-Q52 WeakPolarHBondContact CA-O 3.43Å; L38-Q52 HydrophobicContact CB-CB 4.34Å; L38-Q52 PolarHBondContact N-O 3.19Å; L38-Q52 PolarHBondContact O-N 3.47Å; F50-Q52 HydrophobicContact CE1-CB 3.86Å; F50-Q52 HydrophobicContact CZ-CB 4.49Å; Q52-N54 PolarHBondContact O-N 3.31Å; Q52-T89 CarbonylContact C-O 3.54Å; Q52-T89 WeakPolarHBondContact CA-O 3.37Å; Q52-T89 HydrophobicContact CB-CG2 3.87Å; Q52-T89 HydrophobicContact CG-CG2 4.05Å
53	L	98.8	Very high	97.3	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	126.2	170.1	-54.8	-173.6	0	0	0	109.6	I37 N60 L62 L66 T89 A96 L146	I37-L53 HydrophobicContact CG2-CD2 3.86Å; L53-N60 HydrophobicContact CB-CB 4.03Å; L53-N60 WeakPolarHBondContact CB-ND2 3.48Å; L53-N60 HydrophobicContact CD1-CB 4.4Å; L53-N60 PolarHBondContact O-ND2 3.12Å; L53-N60 PolarHBondContact O-OD1 3.49Å; L53-L62 HydrophobicContact CD1-CD2 4.04Å; L53-L66 HydrophobicContact CD2-CD2 3.9Å; L53-L66 HydrophobicContact CD2-CG 4.44Å; L53-T89 PolarHBondContact N-O 3.2Å; L53-A96 HydrophobicContact CD1-CB 4.07Å; L53-L146 HydrophobicContact CD1-CD2 3.99Å
54	N	98.3	Very high	97.3	Very high	59 Å²	59	48.7 Å²	48.7	32%	0.316	25%	0.246	S	C	.	.			trans	-132.8	57.5	-168.3	-169.7	37.5	0	0	0	112.3	Y36 L38 Q52 P56	Y36-N54 CarbonylContact O-C 3.45Å; Y36-N54 WeakPolarHBondContact O-CA 3.35Å; Y36-N54 PolarHBondContact O-N 3.32Å; L38-N54 HydrophobicContact CD1-CB 4.34Å; L38-N54 HydrophobicContact CG-CB 3.88Å; Q52-N54 PolarHBondContact O-N 3.31Å; N54-P56 WeakPolarHBondContact O-CD 3.47Å
55	R	97.5	Very high	97.4	Very high	60 Å²	60	42.3 Å²	42.3	23%	0.226	22%	0.217	C	C	.	.			trans	-123.1	59.7	169.9	-164.1	-178.3	175.9	-125.7	1.3	110.3	Y36 K57 A58 L59 N60 A61 L66 D100	Y36-R55 HydrophobicContact CD1-CG 4.47Å; R55-K57 VanDerWaalsContact C-N 3.32Å; R55-K57 PolarHBondContact O-N 2.96Å; R55-A58 HydrophobicContact CG-CB 4.13Å; R55-A58 CarbonylContact O-C 3.58Å; R55-A58 PolarHBondContact O-N 2.86Å; R55-L59 PolarHBondContact O-N 2.81Å; R55-N60 VanDerWaalsContact C-OD1 3.24Å; R55-N60 WeakPolarHBondContact CA-OD1 3.36Å; R55-N60 PolarHBondContact N-OD1 2.86Å; R55-N60 PolarHBondContact O-N 3.11Å; R55-N60 PolarHBondContact O-OD1 3.35Å; R55-A61 PolarHBondContact NH1-O 2.94Å; R55-L66 HydrophobicContact CB-CD1 4.41Å; R55-D100 IonicContact CZ-OD2 3.11Å; R55-D100 IonicContact NH1-OD2 2.72Å; R55-D100 PolarHBondContact NH1-OD2 2.74Å; R55-D100 IonicContact NH2-OD2 2.68Å; R55-D100 PolarHBondContact NH2-OD2 2.93Å
56	P	94.1	Very high	97.5	Very high	73 Å²	73	34.5 Å²	34.5	47%	0.474	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-64.4	-31.8	-165.5	24.9	-35.7	0	0	0	113.8	N54 A58 L59	N54-P56 WeakPolarHBondContact O-CD 3.47Å; P56-A58 PolarHBondContact O-N 2.96Å; P56-L59 PolarHBondContact O-N 2.65Å
57	K	95.4	Very high	97.5	Very high	218 Å²	218	30.5 Å²	30.5	95%	0.948	16%	0.162	S	C	*	.	G	3₁₀ helix	trans	-61.7	-25.4	177.1	-69.8	-177.9	179.8	176.3	0	113	R55	R55-K57 VanDerWaalsContact C-N 3.32Å; R55-K57 PolarHBondContact O-N 2.96Å
58	A	96.3	Very high	97.5	Very high	33 Å²	33	34.9 Å²	34.9	27%	0.273	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-109	17.6	176.9	0	0	0	0	0	112.1	R55 P56 N60 A61	R55-A58 HydrophobicContact CG-CB 4.13Å; R55-A58 CarbonylContact O-C 3.58Å; R55-A58 PolarHBondContact O-N 2.86Å; P56-A58 PolarHBondContact O-N 2.96Å; A58-N60 PolarHBondContact O-N 3.09Å; A58-N60 VanDerWaalsContact O-N 3.15Å; A58-A61 HydrophobicContact CB-CB 4.22Å; A58-A61 VanDerWaalsContact O-CB 3.29Å; A58-A61 WeakPolarHBondContact O-CB 3.4Å; A58-A61 PolarHBondContact O-N 3.48Å
59	L	96.6	Very high	97.5	Very high	43 Å²	43	36 Å²	36	23%	0.225	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	38.7	-175.5	-58.4	176.9	0	0	0	112.7	R55 P56 A61 R93 A94 A97	R55-L59 PolarHBondContact O-N 2.81Å; P56-L59 PolarHBondContact O-N 2.65Å; L59-A61 PolarHBondContact O-N 2.67Å; L59-R93 HydrophobicContact CD2-CG 4.07Å; L59-A94 HydrophobicContact CB-CB 3.97Å; L59-A94 HydrophobicContact CD2-CB 4.44Å; L59-A97 HydrophobicContact CB-CB 3.69Å; L59-A97 HydrophobicContact CD1-CB 4.39Å; L59-A97 PolarHBondContact O-N 3Å
60	N	98.3	Very high	97.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	31.7	-176.6	-62.9	-18.3	0	0	0	114	L53 R55 A58 L62 G90 S91 A94 F95 A96	L53-N60 HydrophobicContact CB-CB 4.03Å; L53-N60 WeakPolarHBondContact CB-ND2 3.48Å; L53-N60 HydrophobicContact CD1-CB 4.4Å; L53-N60 PolarHBondContact O-ND2 3.12Å; L53-N60 PolarHBondContact O-OD1 3.49Å; R55-N60 VanDerWaalsContact C-OD1 3.24Å; R55-N60 WeakPolarHBondContact CA-OD1 3.36Å; R55-N60 PolarHBondContact N-OD1 2.86Å; R55-N60 PolarHBondContact O-N 3.11Å; R55-N60 PolarHBondContact O-OD1 3.35Å; A58-N60 PolarHBondContact O-N 3.09Å; A58-N60 VanDerWaalsContact O-N 3.15Å; N60-L62 PolarHBondContact O-N 3.32Å; N60-G90 WeakPolarHBondContact ND2-CA 2.94Å; N60-S91 PolarHBondContact ND2-N 3.2Å; N60-A94 PolarHBondContact ND2-O 3.42Å; N60-F95 WeakPolarHBondContact CB-O 3.27Å; N60-F95 PolarHBondContact ND2-O 3.35Å; N60-A96 HydrophobicContact CB-CB 4.29Å; N60-A96 WeakPolarHBondContact O-CB 3.44Å
61	A	97.9	Very high	97.4	Very high	12 Å²	12	36.5 Å²	36.5	10%	0.099	19%	0.19	C	C	.	.			trans	-55.6	127.9	170.4	0	0	0	0	0	110.3	R55 A58 L59 C63 G98	R55-A61 PolarHBondContact NH1-O 2.94Å; A58-A61 HydrophobicContact CB-CB 4.22Å; A58-A61 VanDerWaalsContact O-CB 3.29Å; A58-A61 WeakPolarHBondContact O-CB 3.4Å; A58-A61 PolarHBondContact O-N 3.48Å; L59-A61 PolarHBondContact O-N 2.67Å; A61-C63 PolarHBondContact O-N 3.44Å; A61-G98 CarbonylContact C-O 3.5Å; A61-G98 VanDerWaalsContact CA-O 3.29Å; A61-G98 WeakPolarHBondContact CA-O 3.42Å
62	L	97.9	Very high	97.4	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.01	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-77.8	98.6	-170.1	-54.9	177.7	0	0	0	110.1	L53 N60 L66 M67 A96 G98 A99 D100 W121 G142 L146	L53-L62 HydrophobicContact CD1-CD2 4.04Å; N60-L62 PolarHBondContact O-N 3.32Å; L62-L66 HydrophobicContact CD2-CD1 4.38Å; L62-L66 HydrophobicContact CD2-CD2 3.64Å; L62-M67 HydrophobicContact CB-CG 4.25Å; L62-M67 HydrophobicContact CB-SD 4.32Å; L62-M67 HydrophobicContact CD1-SD 4.21Å; L62-M67 HydrophobicContact CD2-SD 4.01Å; L62-M67 HydrophobicContact CG-SD 4.41Å; L62-A96 HydrophobicContact CD2-CB 3.89Å; L62-A96 HydrophobicContact CG-CB 4.16Å; L62-G98 PolarHBondContact N-O 2.88Å; L62-A99 WeakPolarHBondContact O-CA 3.4Å; L62-D100 PolarHBondContact O-N 2.89Å; L62-W121 HydrophobicContact CB-CH2 3.43Å; L62-W121 VanDerWaalsContact CB-CH2 3.43Å; L62-W121 HydrophobicContact CB-CZ2 3.92Å; L62-W121 HydrophobicContact CB-CZ3 4.09Å; L62-W121 HydrophobicContact CD1-CE3 4.36Å; L62-W121 HydrophobicContact CD1-CH2 3.82Å; L62-W121 HydrophobicContact CD1-CZ3 3.56Å; L62-W121 HydrophobicContact CG-CH2 4.28Å; L62-W121 HydrophobicContact CG-CZ3 4.49Å; L62-G142 VanDerWaalsContact CD1-C 3.46Å; L62-G142 VanDerWaalsContact CD1-O 3.31Å; L62-G142 WeakPolarHBondContact CD1-O 3.4Å; L62-L146 HydrophobicContact CD1-CB 4.25Å; L62-L146 HydrophobicContact CD1-CD2 4.26Å; L62-L146 HydrophobicContact CD2-CD2 4.02Å
63	C	96.9	Very high	97.4	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.02	20%	0.204	C	C	.	.			trans	-86.9	164.7	167.8	54.2	0	0	0	0	111.5	A61 G65 L66 M67 D100 E103	A61-C63 PolarHBondContact O-N 3.44Å; C63-G65 VanDerWaalsContact C-N 3.3Å; C63-G65 PolarHBondContact O-N 2.88Å; C63-L66 PolarHBondContact O-N 3.44Å; C63-L66 VanDerWaalsContact SG-CB 3.55Å; C63-M67 PolarHBondContact O-N 3.27Å; C63-M67 VanDerWaalsContact O-N 3.11Å; C63-D100 HydrophobicContact CB-CB 4.04Å; C63-E103 WeakPolarHBondContact CA-OE2 3.24Å; C63-E103 VanDerWaalsContact CB-CD 3.46Å; C63-E103 WeakPolarHBondContact CB-OE1 3.33Å; C63-E103 WeakPolarHBondContact CB-OE2 3.49Å
64	D	94.9	Very high	97.3	Very high	44 Å²	44	39.4 Å²	39.4	24%	0.235	20%	0.204	C	C	.	.	H	α-helix	trans	-56.7	-42	176.9	-179.1	82.2	0	0	0	112.2	L66 M67 K68 E103 H120	D64-L66 PolarHBondContact O-N 3.15Å; D64-M67 PolarHBondContact O-N 3.3Å; D64-K68 WeakPolarHBondContact O-CG 3.43Å; D64-K68 PolarHBondContact O-N 3.42Å; D64-K68 IonicContact OD1-NZ 2.93Å; D64-K68 WeakPolarHBondContact OD2-CD 3.48Å; D64-K68 WeakPolarHBondContact OD2-CE 3.49Å; D64-K68 IonicContact OD2-NZ 3.79Å; D64-K68 PolarHBondContact OD2-NZ 3.33Å; D64-E103 PolarHBondContact N-OE2 2.7Å; D64-H120 IonicContact OD1-CE1 2.7Å; D64-H120 PolarHBondContact OD1-CE1 3.2Å; D64-H120 IonicContact OD1-ND1 2.71Å; D64-H120 IonicContact OD1-NE2 2.64Å; D64-H120 PolarHBondContact OD1-NE2 3.16Å
65	G	96.8	Very high	97.3	Very high	22 Å²	22	40.4 Å²	40.4	23%	0.227	21%	0.209	C	C	.	.	H	α-helix	trans	-59.8	-46.8	176.4	0	0	0	0	0	113	Y36 C63 M67 K68 E69	Y36-G65 VanDerWaalsContact CD2-C 3.49Å; C63-G65 VanDerWaalsContact C-N 3.3Å; C63-G65 PolarHBondContact O-N 2.88Å; G65-M67 PolarHBondContact O-N 3.24Å; G65-K68 PolarHBondContact O-N 3.2Å; G65-E69 WeakPolarHBondContact O-CG 3.42Å; G65-E69 PolarHBondContact O-N 2.74Å
66	L	98	Very high	97.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.9	-43.8	178.5	-179.7	162	0	0	0	111.3	Y36 I37 L53 R55 L62 C63 D64 K68 E69 L70	Y36-L66 HydrophobicContact CD2-CB 4.19Å; Y36-L66 HydrophobicContact CG-CB 4.02Å; I37-L66 HydrophobicContact CG2-CG 4.41Å; L53-L66 HydrophobicContact CD2-CD2 3.9Å; L53-L66 HydrophobicContact CD2-CG 4.44Å; R55-L66 HydrophobicContact CB-CD1 4.41Å; L62-L66 HydrophobicContact CD2-CD1 4.38Å; L62-L66 HydrophobicContact CD2-CD2 3.64Å; C63-L66 PolarHBondContact O-N 3.44Å; C63-L66 VanDerWaalsContact SG-CB 3.55Å; D64-L66 PolarHBondContact O-N 3.15Å; L66-K68 VanDerWaalsContact C-N 3.35Å; L66-K68 PolarHBondContact O-N 3.46Å; L66-E69 PolarHBondContact O-N 3.35Å; L66-L70 WeakPolarHBondContact O-CB 3.38Å; L66-L70 PolarHBondContact O-N 3.35Å
67	M	97.9	Very high	97.6	Very high	6 Å²	6	37.2 Å²	37.2	3%	0.03	20%	0.2	C	C	.	.	H	α-helix	trans	-71.3	-30.3	-178.4	-67.9	-59.2	-61.4	0	0	112.8	L62 C63 D64 G65 L70 G71 W121 L146	L62-M67 HydrophobicContact CB-CG 4.25Å; L62-M67 HydrophobicContact CB-SD 4.32Å; L62-M67 HydrophobicContact CD1-SD 4.21Å; L62-M67 HydrophobicContact CD2-SD 4.01Å; L62-M67 HydrophobicContact CG-SD 4.41Å; C63-M67 PolarHBondContact O-N 3.27Å; C63-M67 VanDerWaalsContact O-N 3.11Å; D64-M67 PolarHBondContact O-N 3.3Å; G65-M67 PolarHBondContact O-N 3.24Å; M67-L70 HydrophobicContact CE-CD2 4Å; M67-L70 HydrophobicContact SD-CD2 3.99Å; M67-G71 PolarHBondContact O-N 2.68Å; M67-G71 VanDerWaalsContact O-N 3.07Å; M67-W121 HydrophobicContact CB-CG 4.41Å; M67-W121 HydrophobicContact CE-CB 3.91Å; M67-W121 HydrophobicContact CE-CD2 3.88Å; M67-W121 HydrophobicContact CE-CE3 4.16Å; M67-W121 HydrophobicContact CE-CG 3.79Å; M67-W121 HydrophobicContact CG-CD2 3.91Å; M67-W121 VanDerWaalsContact CG-CE2 3.5Å; M67-W121 HydrophobicContact CG-CG 4.22Å; M67-W121 HydrophobicContact CG-CH2 4.47Å; M67-W121 HydrophobicContact CG-CZ2 3.8Å; M67-W121 HydrophobicContact SD-CD2 4.43Å; M67-L146 HydrophobicContact CE-CD1 4.44Å
68	K	97.5	Very high	97.7	Very high	108 Å²	108	28.5 Å²	28.5	47%	0.47	16%	0.162	S	C	.	.	H	α-helix	trans	-64.4	-48.5	168.8	-76.4	170.7	174.6	168.2	0	112	D64 G65 L66 L70 G71 Q72	D64-K68 WeakPolarHBondContact O-CG 3.43Å; D64-K68 PolarHBondContact O-N 3.42Å; D64-K68 IonicContact OD1-NZ 2.93Å; D64-K68 WeakPolarHBondContact OD2-CD 3.48Å; D64-K68 WeakPolarHBondContact OD2-CE 3.49Å; D64-K68 IonicContact OD2-NZ 3.79Å; D64-K68 PolarHBondContact OD2-NZ 3.33Å; G65-K68 PolarHBondContact O-N 3.2Å; L66-K68 VanDerWaalsContact C-N 3.35Å; L66-K68 PolarHBondContact O-N 3.46Å; K68-L70 VanDerWaalsContact C-N 3.33Å; K68-L70 PolarHBondContact O-N 3.48Å; K68-G71 PolarHBondContact O-N 3.48Å; K68-Q72 WeakPolarHBondContact O-CG 3.47Å; K68-Q72 PolarHBondContact O-N 2.92Å
69	E	98.2	Very high	97.8	Very high	24 Å²	24	30.9 Å²	30.9	11%	0.112	18%	0.182	C	C	.	.	H	α-helix	trans	-62.4	-40.6	177.5	-70.8	-171.9	164.4	0	0	112	Y34 E35 Y36 I37 G65 L66 G71 Q72 A73	Y34-E69 HydrophobicContact CD1-CB 3.75Å; Y34-E69 HydrophobicContact CD1-CG 3.81Å; Y34-E69 HydrophobicContact CE1-CB 4.26Å; E35-E69 PolarHBondContact N-OE1 3.15Å; E35-E69 PolarHBondContact N-OE2 3.32Å; Y36-E69 WeakPolarHBondContact CA-OE2 3.48Å; Y36-E69 WeakPolarHBondContact CB-OE2 3.28Å; Y36-E69 PolarHBondContact N-OE2 2.82Å; I37-E69 HydrophobicContact CD1-CB 3.85Å; I37-E69 WeakPolarHBondContact CD1-O 3.38Å; I37-E69 HydrophobicContact CG1-CB 4.04Å; I37-E69 PolarHBondContact N-OE2 2.82Å; G65-E69 WeakPolarHBondContact O-CG 3.42Å; G65-E69 PolarHBondContact O-N 2.74Å; L66-E69 PolarHBondContact O-N 3.35Å; E69-G71 VanDerWaalsContact C-N 3.32Å; E69-G71 PolarHBondContact O-N 3.04Å; E69-Q72 PolarHBondContact O-N 2.95Å; E69-A73 WeakPolarHBondContact O-CB 3.16Å; E69-A73 PolarHBondContact O-N 3.1Å
70	L	98.5	Very high	97.8	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-59	-44.5	174.6	178.8	61.2	0	0	0	111.3	I51 L66 M67 K68 A73 L74 I88 V124 L146	I51-L70 HydrophobicContact CB-CD1 4.49Å; I51-L70 HydrophobicContact CD1-CD1 3.84Å; I51-L70 HydrophobicContact CG2-CD1 3.8Å; L66-L70 WeakPolarHBondContact O-CB 3.38Å; L66-L70 PolarHBondContact O-N 3.35Å; M67-L70 HydrophobicContact CE-CD2 4Å; M67-L70 HydrophobicContact SD-CD2 3.99Å; K68-L70 VanDerWaalsContact C-N 3.33Å; K68-L70 PolarHBondContact O-N 3.48Å; L70-A73 PolarHBondContact O-N 3.06Å; L70-L74 HydrophobicContact CD1-CD1 4.3Å; L70-L74 HydrophobicContact CD1-CG 4.48Å; L70-L74 HydrophobicContact CG-CD1 4.14Å; L70-L74 WeakPolarHBondContact O-CB 3.48Å; L70-L74 VanDerWaalsContact O-CG 3.29Å; L70-L74 WeakPolarHBondContact O-CG 3.38Å; L70-L74 PolarHBondContact O-N 2.79Å; L70-I88 HydrophobicContact CD1-CD1 4.06Å; L70-I88 HydrophobicContact CD1-CG1 4.48Å; L70-V124 HydrophobicContact CD2-CG2 3.92Å; L70-V124 HydrophobicContact CG-CG2 4.46Å; L70-L146 HydrophobicContact CD2-CD1 3.86Å; L70-L146 HydrophobicContact CD2-CD2 4.27Å
71	G	98.2	Very high	97.8	Very high	9 Å²	9	39.2 Å²	39.2	9%	0.093	22%	0.218	C	C	.	.	H	α-helix	trans	-60.2	-45.3	175.2	0	0	0	0	0	112.7	M67 K68 E69 A73 L74 D75	M67-G71 PolarHBondContact O-N 2.68Å; M67-G71 VanDerWaalsContact O-N 3.07Å; K68-G71 PolarHBondContact O-N 3.48Å; E69-G71 VanDerWaalsContact C-N 3.32Å; E69-G71 PolarHBondContact O-N 3.04Å; G71-A73 PolarHBondContact O-N 2.66Å; G71-L74 PolarHBondContact O-N 3.15Å; G71-D75 PolarHBondContact O-N 2.8Å
72	Q	98.1	Very high	97.7	Very high	110 Å²	110	43.5 Å²	43.5	51%	0.514	24%	0.24	S	C	.	.	H	α-helix	trans	-62.4	-42.7	177.4	-70.2	169.4	-8.6	0	0	112.4	Y34 K68 E69 L74 D75 A76	Y34-Q72 HydrophobicContact CE1-CB 4.26Å; K68-Q72 WeakPolarHBondContact O-CG 3.47Å; K68-Q72 PolarHBondContact O-N 2.92Å; E69-Q72 PolarHBondContact O-N 2.95Å; Q72-L74 VanDerWaalsContact C-N 3.33Å; Q72-L74 PolarHBondContact O-N 3.33Å; Q72-D75 PolarHBondContact O-N 3.49Å; Q72-A76 WeakPolarHBondContact O-CB 3.25Å; Q72-A76 PolarHBondContact O-N 3.1Å
73	A	98.5	Very high	97.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.9	-38.4	176.5	0	0	0	0	0	111.9	Y34 I37 V39 I51 E69 L70 G71 A76 F77	Y34-A73 HydrophobicContact CE2-CB 4.49Å; I37-A73 HydrophobicContact CD1-CB 3.74Å; V39-A73 HydrophobicContact CG2-CB 3.84Å; I51-A73 HydrophobicContact CD1-CB 3.74Å; I51-A73 HydrophobicContact CG1-CB 4.29Å; E69-A73 WeakPolarHBondContact O-CB 3.16Å; E69-A73 PolarHBondContact O-N 3.1Å; L70-A73 PolarHBondContact O-N 3.06Å; G71-A73 PolarHBondContact O-N 2.66Å; A73-A76 PolarHBondContact O-N 3.44Å; A73-F77 WeakPolarHBondContact O-CD2 3.42Å; A73-F77 PolarHBondContact O-N 3.37Å
74	L	98.5	Very high	97.8	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-65.7	-40.9	173.9	-73.8	166.9	0	0	0	112.3	I51 L70 G71 Q72 F77 E78 V86 R123 V124	I51-L74 HydrophobicContact CD1-CD2 4.11Å; I51-L74 HydrophobicContact CD1-CG 4.11Å; L70-L74 HydrophobicContact CD1-CD1 4.3Å; L70-L74 HydrophobicContact CD1-CG 4.48Å; L70-L74 HydrophobicContact CG-CD1 4.14Å; L70-L74 WeakPolarHBondContact O-CB 3.48Å; L70-L74 VanDerWaalsContact O-CG 3.29Å; L70-L74 WeakPolarHBondContact O-CG 3.38Å; L70-L74 PolarHBondContact O-N 2.79Å; G71-L74 PolarHBondContact O-N 3.15Å; Q72-L74 VanDerWaalsContact C-N 3.33Å; Q72-L74 PolarHBondContact O-N 3.33Å; L74-F77 PolarHBondContact O-N 3.47Å; L74-E78 VanDerWaalsContact O-CB 3.29Å; L74-E78 WeakPolarHBondContact O-CB 3.45Å; L74-E78 PolarHBondContact O-N 3.47Å; L74-V86 HydrophobicContact CD2-CB 4.48Å; L74-V86 HydrophobicContact CD2-CG1 4.04Å; L74-V86 HydrophobicContact CD2-CG2 4.47Å; L74-R123 HydrophobicContact CD1-CG 4.46Å; L74-V124 HydrophobicContact CD1-CB 4.28Å; L74-V124 HydrophobicContact CD1-CG2 3.77Å
75	D	98.3	Very high	98	Very high	80 Å²	80	41.3 Å²	41.3	43%	0.428	23%	0.228	S	C	.	.	H	α-helix	trans	-61.8	-43.9	174.2	-74.2	-31.9	0	0	0	111.6	G71 Q72 E78 A79 R123	G71-D75 PolarHBondContact O-N 2.8Å; Q72-D75 PolarHBondContact O-N 3.49Å; D75-E78 PolarHBondContact O-N 3.39Å; D75-A79 PolarHBondContact O-N 2.93Å; D75-R123 IonicContact OD1-CZ 2.96Å; D75-R123 IonicContact OD1-NE 3.54Å; D75-R123 PolarHBondContact OD1-NE 2.92Å; D75-R123 IonicContact OD1-NH2 3.92Å; D75-R123 PolarHBondContact OD1-NH2 3.29Å; D75-R123 IonicContact OD2-NE 2.82Å
76	A	98.3	Very high	98.1	Very high	54 Å²	54	40.3 Å²	40.3	45%	0.446	22%	0.218	S	C	.	.	H	α-helix	trans	-61	-47.4	176.6	0	0	0	0	0	111.5	Q72 A73 A79 D80	Q72-A76 WeakPolarHBondContact O-CB 3.25Å; Q72-A76 PolarHBondContact O-N 3.1Å; A73-A76 PolarHBondContact O-N 3.44Å; A76-A79 PolarHBondContact O-N 3.29Å; A76-D80 WeakPolarHBondContact O-CB 3.25Å; A76-D80 PolarHBondContact O-N 3.33Å; A76-D80 VanDerWaalsContact O-N 3.11Å
77	F	98.5	Very high	98.2	Very high	12 Å²	12	40.3 Å²	40.3	5%	0.053	22%	0.218	C	C	.	.	H	α-helix	trans	-69.9	-29.2	176.5	-73.5	-38.4	0	0	0	113.5	V39 E40 K41 G49 I51 A73 L74 I83 V86 K129	V39-F77 HydrophobicContact CG1-CE1 4.23Å; V39-F77 HydrophobicContact CG1-CE2 3.58Å; V39-F77 HydrophobicContact CG1-CZ 3.31Å; E40-F77 WeakPolarHBondContact O-CZ 3.05Å; K41-F77 HydrophobicContact CG-CE1 4.34Å; G49-F77 VanDerWaalsContact CA-CZ 3.44Å; I51-F77 HydrophobicContact CD1-CD2 4.12Å; I51-F77 HydrophobicContact CD1-CE2 4.16Å; I51-F77 HydrophobicContact CG1-CD2 4.14Å; I51-F77 HydrophobicContact CG1-CE2 3.68Å; A73-F77 WeakPolarHBondContact O-CD2 3.42Å; A73-F77 PolarHBondContact O-N 3.37Å; L74-F77 PolarHBondContact O-N 3.47Å; F77-I83 HydrophobicContact CB-CG2 4.28Å; F77-I83 HydrophobicContact CD1-CD1 4.34Å; F77-I83 HydrophobicContact CD1-CG1 3.9Å; F77-I83 HydrophobicContact CE1-CD1 4.49Å; F77-V86 HydrophobicContact CB-CG2 3.92Å; F77-V86 HydrophobicContact CD2-CG1 4.2Å; F77-V86 HydrophobicContact CD2-CG2 4.19Å; F77-V86 HydrophobicContact CG-CG2 4.37Å; F77-K129 WeakPolarHBondContact O-CE 3.35Å; F77-K129 PolarHBondContact O-NZ 2.8Å
78	E	97.8	Very high	98.2	Very high	34 Å²	34	40 Å²	40	16%	0.159	22%	0.216	C	C	.	.	H	α-helix	trans	-66.9	-41.1	173.8	-176.7	158.4	-179	0	0	111.4	L74 D75 D80 R123 V127 R128 K129	L74-E78 VanDerWaalsContact O-CB 3.29Å; L74-E78 WeakPolarHBondContact O-CB 3.45Å; L74-E78 PolarHBondContact O-N 3.47Å; D75-E78 PolarHBondContact O-N 3.39Å; E78-D80 VanDerWaalsContact C-N 3.34Å; E78-R123 IonicContact OE2-CZ 3.35Å; E78-R123 IonicContact OE2-NH1 3.65Å; E78-R123 IonicContact OE2-NH2 3.59Å; E78-R123 PolarHBondContact OE2-NH2 2.72Å; E78-V127 HydrophobicContact CB-CG2 4.11Å; E78-V127 HydrophobicContact CG-CG2 4.44Å; E78-V127 WeakPolarHBondContact OE2-CA 3.43Å; E78-V127 WeakPolarHBondContact OE2-CG2 3.27Å; E78-R128 WeakPolarHBondContact OE1-CB 3.26Å; E78-R128 WeakPolarHBondContact OE1-CG 3.5Å; E78-R128 IonicContact OE1-CZ 3.39Å; E78-R128 PolarHBondContact OE1-N 2.72Å; E78-R128 IonicContact OE1-NE 2.68Å; E78-R128 PolarHBondContact OE1-NE 3.23Å; E78-R128 IonicContact OE1-NH2 3.27Å; E78-R128 PolarHBondContact OE2-N 2.94Å; E78-K129 WeakPolarHBondContact O-CE 3.49Å; E78-K129 PolarHBondContact O-NZ 3.37Å; E78-K129 VanDerWaalsContact O-NZ 3.12Å
79	A	97.8	Very high	98.3	Very high	83 Å²	83	35 Å²	35	69%	0.686	19%	0.194	S	C	*	.	H	α-helix	trans	-71.2	-26.1	177.4	0	0	0	0	0	113.9	D75 A76 K81	D75-A79 PolarHBondContact O-N 2.93Å; A76-A79 PolarHBondContact O-N 3.29Å; A79-K81 PolarHBondContact O-N 2.99Å
80	D	98.1	Very high	98.3	Very high	38 Å²	38	34 Å²	34	20%	0.203	19%	0.19	C	C	.	.			trans	-74.4	112.6	-176.8	-170.1	-29.5	0	0	0	112.6	K41 A76 E78 D82 I83 K129	K41-D80 WeakPolarHBondContact CE-OD2 3.26Å; K41-D80 IonicContact NZ-OD1 3.43Å; K41-D80 IonicContact NZ-OD2 3.06Å; K41-D80 PolarHBondContact NZ-OD2 3.33Å; A76-D80 WeakPolarHBondContact O-CB 3.25Å; A76-D80 PolarHBondContact O-N 3.33Å; A76-D80 VanDerWaalsContact O-N 3.11Å; E78-D80 VanDerWaalsContact C-N 3.34Å; D80-D82 PolarHBondContact O-N 3.39Å; D80-D82 WeakPolarHBondContact OD1-CB 3.42Å; D80-D82 PolarHBondContact OD1-N 3.25Å; D80-I83 HydrophobicContact CB-CB 4.36Å; D80-I83 HydrophobicContact CB-CG1 3.86Å; D80-I83 PolarHBondContact O-N 3.46Å; D80-K129 PolarHBondContact O-NZ 3.23Å
81	K	96.7	Very high	98.2	Very high	180 Å²	180	35.4 Å²	35.4	78%	0.783	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-20.1	-176.8	-64.2	-177.3	-179.5	-179.2	0	114.1	A79 I83 K235	A79-K81 PolarHBondContact O-N 2.99Å; K81-I83 VanDerWaalsContact C-N 3.33Å; K81-K235 WeakPolarHBondContact O-CE 3.41Å; K81-K235 PolarHBondContact O-NZ 3.47Å
82	D	97	Very high	98	Very high	103 Å²	103	41.7 Å²	41.7	55%	0.551	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-21.1	179.6	-62.4	-32.2	0	0	0	111.9	K41 N47 D80	K41-D82 IonicContact NZ-OD2 2.72Å; N47-D82 VanDerWaalsContact CA-O 3.27Å; N47-D82 WeakPolarHBondContact CA-O 3.33Å; N47-D82 VanDerWaalsContact CB-O 3.26Å; N47-D82 WeakPolarHBondContact CB-O 3.4Å; D80-D82 PolarHBondContact O-N 3.39Å; D80-D82 WeakPolarHBondContact OD1-CB 3.42Å; D80-D82 PolarHBondContact OD1-N 3.25Å
83	I	98.6	Very high	97.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.234	C	C	.	.			trans	-88.1	125.1	-176.9	-56.5	-62.2	0	0	0	110.5	K41 N46 N47 F77 D80 K81 A85 V86 K129	K41-I83 HydrophobicContact CD-CD1 4.01Å; K41-I83 HydrophobicContact CG-CD1 3.96Å; N46-I83 WeakPolarHBondContact O-CD1 3.22Å; N47-I83 WeakPolarHBondContact O-CA 3.39Å; F77-I83 HydrophobicContact CB-CG2 4.28Å; F77-I83 HydrophobicContact CD1-CD1 4.34Å; F77-I83 HydrophobicContact CD1-CG1 3.9Å; F77-I83 HydrophobicContact CE1-CD1 4.49Å; D80-I83 HydrophobicContact CB-CB 4.36Å; D80-I83 HydrophobicContact CB-CG1 3.86Å; D80-I83 PolarHBondContact O-N 3.46Å; K81-I83 VanDerWaalsContact C-N 3.33Å; I83-A85 VanDerWaalsContact CG2-O 3.3Å; I83-A85 WeakPolarHBondContact CG2-O 3.4Å; I83-V86 HydrophobicContact CG2-CG2 4.42Å; I83-K129 HydrophobicContact CG2-CD 4.38Å; I83-K129 WeakPolarHBondContact O-CD 3.47Å; I83-K129 VanDerWaalsContact O-CE 3.24Å; I83-K129 WeakPolarHBondContact O-CE 3.29Å; I83-K129 PolarHBondContact O-NZ 3.47Å
84	G	98.3	Very high	97.9	Very high	3 Å²	3	44.7 Å²	44.7	3%	0.031	23%	0.234	C	C	.	.			trans	-106.8	-18.8	176.3	0	0	0	0	0	114.7	N47	N47-G84 PolarHBondContact O-N 2.74Å
85	A	98.8	Very high	97.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	160.7	177.3	0	0	0	0	0	110.7	V48 G49 I83 P130 I230	V48-A85 WeakPolarHBondContact CA-O 3.06Å; G49-A85 PolarHBondContact N-O 3.06Å; I83-A85 VanDerWaalsContact CG2-O 3.3Å; I83-A85 WeakPolarHBondContact CG2-O 3.4Å; A85-P130 CarbonylContact C-O 3.56Å; A85-P130 WeakPolarHBondContact CA-O 3.28Å; A85-I230 HydrophobicContact CB-CB 4.14Å; A85-I230 HydrophobicContact CB-CG2 3.98Å
86	V	98.9	Very high	97.9	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	139	177.2	-177.1	0	0	0	0	110.2	G49 I51 L74 F77 I83 I88 P130 V131 I132	G49-V86 CarbonylContact O-C 3.59Å; G49-V86 VanDerWaalsContact O-CA 3.26Å; G49-V86 WeakPolarHBondContact O-CA 3.39Å; I51-V86 HydrophobicContact CD1-CG1 3.97Å; I51-V86 HydrophobicContact CG1-CG1 4.22Å; L74-V86 HydrophobicContact CD2-CB 4.48Å; L74-V86 HydrophobicContact CD2-CG1 4.04Å; L74-V86 HydrophobicContact CD2-CG2 4.47Å; F77-V86 HydrophobicContact CB-CG2 3.92Å; F77-V86 HydrophobicContact CD2-CG1 4.2Å; F77-V86 HydrophobicContact CD2-CG2 4.19Å; F77-V86 HydrophobicContact CG-CG2 4.37Å; I83-V86 HydrophobicContact CG2-CG2 4.42Å; V86-I88 HydrophobicContact CG1-CG1 4.36Å; V86-P130 PolarHBondContact N-O 2.58Å; V86-V131 HydrophobicContact CB-CG2 4.49Å; V86-V131 CarbonylContact O-C 3.52Å; V86-V131 VanDerWaalsContact O-CA 3.31Å; V86-V131 WeakPolarHBondContact O-CA 3.31Å; V86-I132 PolarHBondContact O-N 3.26Å
87	V	98.9	Very high	97.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	128.6	169.1	173.6	0	0	0	0	108.7	V48 G49 F50 I51 I132 A134 A223	V48-V87 HydrophobicContact CG1-CB 4.48Å; V48-V87 HydrophobicContact CG1-CG2 3.81Å; G49-V87 PolarHBondContact O-N 3.1Å; F50-V87 HydrophobicContact CD2-CB 3.96Å; F50-V87 HydrophobicContact CD2-CG1 3.89Å; F50-V87 HydrophobicContact CE2-CG1 3.93Å; I51-V87 PolarHBondContact N-O 2.9Å; V87-I132 CarbonylContact C-O 3.59Å; V87-I132 WeakPolarHBondContact CA-O 3.25Å; V87-I132 HydrophobicContact CG2-CB 4.26Å; V87-I132 HydrophobicContact CG2-CD1 4.31Å; V87-A134 HydrophobicContact CG1-CB 4.17Å; V87-A223 HydrophobicContact CG1-CB 4.06Å; V87-A223 HydrophobicContact CG2-CB 4.32Å
88	I	98.9	Very high	97.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	130.5	171	-56.7	173.7	0	0	0	108.2	I51 L70 V86 F95 V124 V131 I132 A133 A134	I51-I88 HydrophobicContact CB-CG1 4.41Å; I51-I88 CarbonylContact O-C 3.53Å; I51-I88 WeakPolarHBondContact O-CA 3.41Å; L70-I88 HydrophobicContact CD1-CD1 4.06Å; L70-I88 HydrophobicContact CD1-CG1 4.48Å; V86-I88 HydrophobicContact CG1-CG1 4.36Å; I88-F95 HydrophobicContact CG2-CE2 4.07Å; I88-F95 HydrophobicContact CG2-CZ 4.08Å; I88-V124 HydrophobicContact CD1-CG1 4.02Å; I88-V131 HydrophobicContact CD1-CG1 3.57Å; I88-V131 HydrophobicContact CG1-CG1 3.88Å; I88-I132 PolarHBondContact N-O 3.05Å; I88-A133 WeakPolarHBondContact O-CA 3.36Å; I88-A134 PolarHBondContact O-N 3.32Å
89	T	98.9	Very high	97.6	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	168.9	175.8	-172.4	0	0	0	0	111.1	F50 I51 Q52 L53 A134	F50-T89 HydrophobicContact CE1-CG2 4.09Å; F50-T89 HydrophobicContact CE2-CG2 3.88Å; F50-T89 HydrophobicContact CZ-CG2 3.39Å; I51-T89 PolarHBondContact O-N 3.14Å; Q52-T89 CarbonylContact C-O 3.54Å; Q52-T89 WeakPolarHBondContact CA-O 3.37Å; Q52-T89 HydrophobicContact CB-CG2 3.87Å; Q52-T89 HydrophobicContact CG-CG2 4.05Å; L53-T89 PolarHBondContact N-O 3.2Å; T89-A134 PolarHBondContact OG1-O 3.04Å; T89-A134 VanDerWaalsContact OG1-O 3.07Å
90	G	98.4	Very high	97.5	Very high	3 Å²	3	35.6 Å²	35.6	3%	0.031	18%	0.177	C	C	.	.			trans	-115.4	-147.3	162.6	0	0	0	0	0	111.8	N60	N60-G90 WeakPolarHBondContact ND2-CA 2.94Å
91	S	96.8	Very high	97.4	Very high	32 Å²	32	37.6 Å²	37.6	22%	0.224	19%	0.187	C	C	.	.			trans	-82.6	171.3	173.9	69.3	0	0	0	0	111.9	N60 R93 A94	N60-S91 PolarHBondContact ND2-N 3.2Å; S91-R93 PolarHBondContact O-N 3.18Å; S91-R93 PolarHBondContact OG-N 3.15Å; S91-A94 PolarHBondContact N-O 3.01Å; S91-A94 CarbonylContact O-C 3.55Å; S91-A94 PolarHBondContact O-N 3.36Å; S91-A94 PolarHBondContact OG-N 3.14Å; S91-A94 VanDerWaalsContact OG-N 3.1Å; S91-A94 PolarHBondContact OG-O 3.37Å
92	E	93.9	Very high	97.2	Very high	141 Å²	141	37.1 Å²	37.1	66%	0.659	19%	0.185	S	C	*	.	S	Bend	trans	-59.2	-36.5	172.9	-169	-176.3	156.3	0	0	112.5	G137 V216	E92-G137 PolarHBondContact O-N 3.45Å; E92-V216 HydrophobicContact CG-CG1 3.57Å
93	R	96	Very high	97	Very high	173 Å²	173	36 Å²	36	65%	0.653	18%	0.176	S	C	*	.	S	Bend	trans	-78.8	-34.3	-177.8	-175.2	175	176.4	-172.7	-1.2	112.9	L59 S91 G137 F138	L59-R93 HydrophobicContact CD2-CG 4.07Å; S91-R93 PolarHBondContact O-N 3.18Å; S91-R93 PolarHBondContact OG-N 3.15Å; R93-G137 WeakPolarHBondContact O-CA 3.5Å; R93-F138 WeakPolarHBondContact O-CD2 3.27Å; R93-F138 PolarHBondContact O-N 3.37Å
94	A	97.8	Very high	96.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	128.3	-177.6	0	0	0	0	0	110.8	L59 N60 S91 N136 F138	L59-A94 HydrophobicContact CB-CB 3.97Å; L59-A94 HydrophobicContact CD2-CB 4.44Å; N60-A94 PolarHBondContact ND2-O 3.42Å; S91-A94 PolarHBondContact N-O 3.01Å; S91-A94 CarbonylContact O-C 3.55Å; S91-A94 PolarHBondContact O-N 3.36Å; S91-A94 PolarHBondContact OG-N 3.14Å; S91-A94 VanDerWaalsContact OG-N 3.1Å; S91-A94 PolarHBondContact OG-O 3.37Å; A94-N136 CarbonylContact C-O 3.44Å; A94-F138 HydrophobicContact CB-CB 4.21Å
95	F	98.8	Very high	96.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	-65.5	157.3	178.4	-101.7	0	0	0	108.5	N60 I88 A133 V135 N136 F138 A139 G143 L146 A147	N60-F95 WeakPolarHBondContact CB-O 3.27Å; N60-F95 PolarHBondContact ND2-O 3.35Å; I88-F95 HydrophobicContact CG2-CE2 4.07Å; I88-F95 HydrophobicContact CG2-CZ 4.08Å; F95-A133 HydrophobicContact CZ-CB 4.47Å; F95-V135 HydrophobicContact CB-CB 4.44Å; F95-V135 HydrophobicContact CB-CG1 3.86Å; F95-V135 HydrophobicContact CD1-CG2 4.36Å; F95-V135 HydrophobicContact CD2-CG2 4.02Å; F95-V135 HydrophobicContact CE2-CG2 4.34Å; F95-V135 HydrophobicContact CG-CB 4.48Å; F95-V135 HydrophobicContact CG-CG1 4.28Å; F95-V135 HydrophobicContact CG-CG2 4.04Å; F95-N136 PolarHBondContact N-O 3.05Å; F95-F138 PolarHBondContact N-O 3.49Å; F95-A139 HydrophobicContact CB-CB 4.25Å; F95-A139 HydrophobicContact CD1-CB 4.09Å; F95-G143 WeakPolarHBondContact CE1-O 3.44Å; F95-L146 HydrophobicContact CE1-CB 4.28Å; F95-L146 HydrophobicContact CE1-CD2 3.91Å; F95-L146 HydrophobicContact CE1-CG 3.98Å; F95-L146 HydrophobicContact CZ-CD2 4.05Å; F95-L146 HydrophobicContact CZ-CG 4.11Å; F95-A147 HydrophobicContact CE1-CB 4.06Å
96	A	98.6	Very high	96.5	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	130.6	171	0	0	0	0	0	110.9	L53 N60 L62 G98 F138 A139 L140	L53-A96 HydrophobicContact CD1-CB 4.07Å; N60-A96 HydrophobicContact CB-CB 4.29Å; N60-A96 WeakPolarHBondContact O-CB 3.44Å; L62-A96 HydrophobicContact CD2-CB 3.89Å; L62-A96 HydrophobicContact CG-CB 4.16Å; A96-G98 PolarHBondContact O-N 3.41Å; A96-F138 PolarHBondContact N-O 2.96Å; A96-A139 WeakPolarHBondContact O-CA 3.34Å; A96-L140 PolarHBondContact O-N 3.45Å
97	A	96.7	Very high	96.4	Very high	32 Å²	32	55.6 Å²	55.6	26%	0.264	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	53.8	-179.1	0	0	0	0	0	112.6	L59	L59-A97 HydrophobicContact CB-CB 3.69Å; L59-A97 HydrophobicContact CD1-CB 4.39Å; L59-A97 PolarHBondContact O-N 3Å
98	G	95.4	Very high	96.3	Very high	9 Å²	9	58.6 Å²	58.6	9%	0.093	29%	0.287	C	S	.	.	S	Bend	trans	89.5	-174.2	176.1	0	0	0	0	0	114.8	A61 L62 A96 L140	A61-G98 CarbonylContact C-O 3.5Å; A61-G98 VanDerWaalsContact CA-O 3.29Å; A61-G98 WeakPolarHBondContact CA-O 3.42Å; L62-G98 PolarHBondContact N-O 2.88Å; A96-G98 PolarHBondContact O-N 3.41Å; G98-L140 WeakPolarHBondContact CA-O 3.49Å; G98-L140 PolarHBondContact N-O 3.49Å
99	A	95.9	Very high	96.2	Very high	18 Å²	18	65.8 Å²	65.8	15%	0.149	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-77.2	158.2	171	0	0	0	0	0	111.3	L62 I101 M104 W121	L62-A99 WeakPolarHBondContact O-CA 3.4Å; A99-I101 PolarHBondContact O-N 3.45Å; A99-M104 HydrophobicContact CB-CE 3.51Å; A99-M104 HydrophobicContact CB-SD 3.97Å; A99-W121 HydrophobicContact CB-CH2 3.75Å
100	D	95.9	Very high	96.2	Very high	14 Å²	14	72.2 Å²	72.2	8%	0.075	35%	0.348	C	S	.	.			trans	-72.2	101.5	176.9	-162.5	-39.8	0	0	0	111.7	R55 L62 C63 K102 E103 M104	R55-D100 IonicContact CZ-OD2 3.11Å; R55-D100 IonicContact NH1-OD2 2.72Å; R55-D100 PolarHBondContact NH1-OD2 2.74Å; R55-D100 IonicContact NH2-OD2 2.68Å; R55-D100 PolarHBondContact NH2-OD2 2.93Å; L62-D100 PolarHBondContact O-N 2.89Å; C63-D100 HydrophobicContact CB-CB 4.04Å; D100-K102 PolarHBondContact O-N 3.46Å; D100-K102 VanDerWaalsContact OD1-CB 3.29Å; D100-K102 WeakPolarHBondContact OD1-CB 3.46Å; D100-K102 PolarHBondContact OD1-N 2.75Å; D100-E103 HydrophobicContact CB-CB 4.32Å; D100-E103 HydrophobicContact CB-CG 4.08Å; D100-E103 PolarHBondContact O-N 3.46Å; D100-E103 VanDerWaalsContact O-N 3.08Å; D100-M104 PolarHBondContact O-N 3.15Å
101	I	95.1	Very high	96.1	Very high	79 Å²	79	77 Å²	77	41%	0.405	37%	0.37	S	S	.	.	H	α-helix	trans	-59.6	-31.3	-179.6	-52.8	-49.9	0	0	0	112	A99 E103 M104 Q105 L168	A99-I101 PolarHBondContact O-N 3.45Å; I101-E103 VanDerWaalsContact C-N 3.25Å; I101-E103 PolarHBondContact O-N 2.8Å; I101-M104 HydrophobicContact CD1-CE 3.46Å; I101-M104 VanDerWaalsContact CD1-CE 3.46Å; I101-M104 PolarHBondContact O-N 3.02Å; I101-M104 VanDerWaalsContact O-N 3.08Å; I101-Q105 PolarHBondContact O-N 2.94Å; I101-L168 HydrophobicContact CD1-CD1 3.46Å; I101-L168 VanDerWaalsContact CD1-CD1 3.46Å; I101-L168 HydrophobicContact CG1-CD1 4.04Å
102	K	94.1	Very high	96	Very high	170 Å²	170	77.3 Å²	77.3	74%	0.739	37%	0.371	S	S	*	.	H	α-helix	trans	-66.7	-30.7	179.5	-62.4	178.4	177.1	178.5	0	111.7	D100 M104	D100-K102 PolarHBondContact O-N 3.46Å; D100-K102 VanDerWaalsContact OD1-CB 3.29Å; D100-K102 WeakPolarHBondContact OD1-CB 3.46Å; D100-K102 PolarHBondContact OD1-N 2.75Å; K102-M104 VanDerWaalsContact C-N 3.34Å
103	E	92.6	Very high	96	Very high	79 Å²	79	79.3 Å²	79.3	37%	0.369	37%	0.374	S	S	.	.	H	α-helix	trans	-79	-17.2	174.7	-64.1	-169.6	171.6	0	0	113.2	C63 D64 D100 I101 R107	C63-E103 WeakPolarHBondContact CA-OE2 3.24Å; C63-E103 VanDerWaalsContact CB-CD 3.46Å; C63-E103 WeakPolarHBondContact CB-OE1 3.33Å; C63-E103 WeakPolarHBondContact CB-OE2 3.49Å; D64-E103 PolarHBondContact N-OE2 2.7Å; D100-E103 HydrophobicContact CB-CB 4.32Å; D100-E103 HydrophobicContact CB-CG 4.08Å; D100-E103 PolarHBondContact O-N 3.46Å; D100-E103 VanDerWaalsContact O-N 3.08Å; I101-E103 VanDerWaalsContact C-N 3.25Å; I101-E103 PolarHBondContact O-N 2.8Å; E103-R107 PolarHBondContact O-NE 3.25Å
104	M	93.1	Very high	96	Very high	55 Å²	55	74.3 Å²	74.3	27%	0.271	38%	0.376	S	S	.	.	H	α-helix	trans	-102.5	-30.7	-175.7	-65.1	-166.2	-61.9	0	0	114.1	A99 D100 I101 K102 N106 R107 F117	A99-M104 HydrophobicContact CB-CE 3.51Å; A99-M104 HydrophobicContact CB-SD 3.97Å; D100-M104 PolarHBondContact O-N 3.15Å; I101-M104 HydrophobicContact CD1-CE 3.46Å; I101-M104 VanDerWaalsContact CD1-CE 3.46Å; I101-M104 PolarHBondContact O-N 3.02Å; I101-M104 VanDerWaalsContact O-N 3.08Å; K102-M104 VanDerWaalsContact C-N 3.34Å; M104-N106 PolarHBondContact O-N 3.17Å; M104-R107 WeakPolarHBondContact O-CB 3.41Å; M104-R107 PolarHBondContact O-N 3.49Å; M104-F117 HydrophobicContact CG-CE1 4.11Å; M104-F117 HydrophobicContact CG-CZ 3.7Å; M104-F117 HydrophobicContact SD-CE1 3.83Å; M104-F117 HydrophobicContact SD-CZ 3.79Å
105	Q	96.3	Very high	95.7	Very high	133 Å²	133	77.1 Å²	77.1	62%	0.621	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-31.8	-167.7	65.3	178.5	-11.8	0	0	115.4	I101	I101-Q105 PolarHBondContact O-N 2.94Å
106	N	96.1	Very high	95.2	Very high	131 Å²	131	82.6 Å²	82.6	70%	0.701	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	3.8	-175.2	-65.5	-32.4	0	0	0	113	M104	M104-N106 PolarHBondContact O-N 3.17Å
107	R	95.9	Very high	94.8	Very high	97 Å²	97	85.3 Å²	85.3	37%	0.366	45%	0.446	S	S	.	.			trans	-72.9	140.4	-179.5	-67.6	-175.8	176.4	-90.7	2.4	110.8	E103 M104	E103-R107 PolarHBondContact O-NE 3.25Å; M104-R107 WeakPolarHBondContact O-CB 3.41Å; M104-R107 PolarHBondContact O-N 3.49Å
108	T	97.6	Very high	94.6	Very high	64 Å²	64	85.2 Å²	85.2	39%	0.393	44%	0.441	S	S	.	.			trans	-97.8	161.2	173.8	63	0	0	0	0	111.3	Q110 E111 C112	T108-Q110 VanDerWaalsContact C-N 3.26Å; T108-Q110 PolarHBondContact O-N 3.32Å; T108-E111 PolarHBondContact N-OE2 3.29Å; T108-E111 PolarHBondContact O-N 3.39Å; T108-E111 VanDerWaalsContact OG1-CD 3.3Å; T108-E111 VanDerWaalsContact OG1-CG 3.28Å; T108-E111 WeakPolarHBondContact OG1-CG 3.13Å; T108-E111 PolarHBondContact OG1-N 3.21Å; T108-E111 PolarHBondContact OG1-OE2 2.67Å; T108-C112 PolarHBondContact O-N 3.27Å; T108-C112 PolarHBondContact O-SG 2.71Å
109	F	97.3	Very high	94.3	Very high	150 Å²	150	86.6 Å²	86.6	66%	0.658	45%	0.452	S	S	*	.	H	α-helix	trans	-54.7	-43.7	174.2	166.7	-104.5	0	0	0	111.8	E111 C112 Y113	F109-E111 PolarHBondContact O-N 3.28Å; F109-C112 PolarHBondContact O-N 3Å; F109-Y113 HydrophobicContact CE2-CD2 4.25Å; F109-Y113 HydrophobicContact CE2-CG 4.32Å; F109-Y113 HydrophobicContact CZ-CD2 4.19Å; F109-Y113 HydrophobicContact CZ-CG 4.07Å; F109-Y113 VanDerWaalsContact O-CB 3.27Å; F109-Y113 WeakPolarHBondContact O-CB 3.29Å; F109-Y113 PolarHBondContact O-N 3.09Å
110	Q	97.6	Very high	94	Very high	136 Å²	136	89 Å²	89	64%	0.636	46%	0.46	S	S	*	.	H	α-helix	trans	-63.9	-40.6	-178.1	-62.1	92.1	-51.8	0	0	112.1	T108 G114	T108-Q110 VanDerWaalsContact C-N 3.26Å; T108-Q110 PolarHBondContact O-N 3.32Å; Q110-G114 WeakPolarHBondContact O-CA 3.2Å; Q110-G114 PolarHBondContact O-N 2.69Å
111	E	96.1	Very high	93.8	Very high	105 Å²	105	88.8 Å²	88.8	49%	0.491	46%	0.458	S	S	.	.	H	α-helix	trans	-67.6	-42.5	175.8	-70.1	164.8	141.6	0	0	111.5	T108 F109 G115	T108-E111 PolarHBondContact N-OE2 3.29Å; T108-E111 PolarHBondContact O-N 3.39Å; T108-E111 VanDerWaalsContact OG1-CD 3.3Å; T108-E111 VanDerWaalsContact OG1-CG 3.28Å; T108-E111 WeakPolarHBondContact OG1-CG 3.13Å; T108-E111 PolarHBondContact OG1-N 3.21Å; T108-E111 PolarHBondContact OG1-OE2 2.67Å; F109-E111 PolarHBondContact O-N 3.28Å; E111-G115 WeakPolarHBondContact O-CA 3.48Å; E111-G115 PolarHBondContact O-N 2.87Å
112	C	95.9	Very high	93.6	Very high	38 Å²	38	88.2 Å²	88.2	26%	0.257	46%	0.456	S	S	.	.	H	α-helix	trans	-66	-49	179.1	-72.2	0	0	0	0	111.9	T108 F109 N116 F117	T108-C112 PolarHBondContact O-N 3.27Å; T108-C112 PolarHBondContact O-SG 2.71Å; F109-C112 PolarHBondContact O-N 3Å; C112-N116 PolarHBondContact O-N 2.71Å; C112-N116 VanDerWaalsContact O-N 3.14Å; C112-F117 HydrophobicContact CB-CB 4.15Å; C112-F117 PolarHBondContact O-N 3.14Å
113	Y	94.2	Very high	93.7	Very high	183 Å²	183	82.3 Å²	82.3	72%	0.718	43%	0.429	S	S	*	.	H	α-helix	trans	-70.4	-47.5	-178.9	-172.8	-93.6	0	0	0	111.6	F109	F109-Y113 HydrophobicContact CE2-CD2 4.25Å; F109-Y113 HydrophobicContact CE2-CG 4.32Å; F109-Y113 HydrophobicContact CZ-CD2 4.19Å; F109-Y113 HydrophobicContact CZ-CG 4.07Å; F109-Y113 VanDerWaalsContact O-CB 3.27Å; F109-Y113 WeakPolarHBondContact O-CB 3.29Å; F109-Y113 PolarHBondContact O-N 3.09Å
114	G	95.1	Very high	93.9	Very high	67 Å²	67	78.6 Å²	78.6	69%	0.691	41%	0.412	S	S	*	.	H	α-helix	trans	-70.5	-31.1	-179.7	0	0	0	0	0	113.8	Q110	Q110-G114 WeakPolarHBondContact O-CA 3.2Å; Q110-G114 PolarHBondContact O-N 2.69Å
115	G	91.1	Very high	94	Very high	60 Å²	60	77.6 Å²	77.6	62%	0.619	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-0.2	179.9	0	0	0	0	0	115.1	E111 F117	E111-G115 WeakPolarHBondContact O-CA 3.48Å; E111-G115 PolarHBondContact O-N 2.87Å; G115-F117 PolarHBondContact O-N 3.26Å
116	N	89.3	Confident	94	Very high	115 Å²	115	75.5 Å²	75.5	62%	0.615	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	51.9	-176.8	-161.1	17.3	0	0	0	112.5	C112 A119	C112-N116 PolarHBondContact O-N 2.71Å; C112-N116 VanDerWaalsContact O-N 3.14Å; N116-A119 HydrophobicContact CB-CB 4.2Å; N116-A119 VanDerWaalsContact CG-CB 3.46Å; N116-A119 WeakPolarHBondContact ND2-CB 3.43Å; N116-A119 WeakPolarHBondContact O-CB 3.24Å; N116-A119 PolarHBondContact O-N 3.45Å; N116-A119 VanDerWaalsContact O-N 3.11Å
117	F	90.6	Very high	94.1	Very high	56 Å²	56	69.4 Å²	69.4	25%	0.246	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	140.4	-176.8	-179.4	-124.7	0	0	0	111.6	M104 C112 G115 A119	M104-F117 HydrophobicContact CG-CE1 4.11Å; M104-F117 HydrophobicContact CG-CZ 3.7Å; M104-F117 HydrophobicContact SD-CE1 3.83Å; M104-F117 HydrophobicContact SD-CZ 3.79Å; C112-F117 HydrophobicContact CB-CB 4.15Å; C112-F117 PolarHBondContact O-N 3.14Å; G115-F117 PolarHBondContact O-N 3.26Å; F117-A119 PolarHBondContact O-N 3.12Å
118	L	91.2	Very high	94.2	Very high	30 Å²	30	72.9 Å²	72.9	16%	0.157	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.3	-2.7	-174.4	-49.2	175	0	0	0	116.8	H120 W121	L118-H120 PolarHBondContact O-N 2.61Å; L118-H120 VanDerWaalsContact O-N 3.08Å; L118-W121 HydrophobicContact CB-CG 4.29Å; L118-W121 HydrophobicContact CD2-CD2 3.85Å; L118-W121 VanDerWaalsContact CD2-CE2 3.44Å; L118-W121 HydrophobicContact CD2-CE3 4.37Å; L118-W121 HydrophobicContact CD2-CG 4.33Å; L118-W121 HydrophobicContact CD2-CH2 4.18Å; L118-W121 HydrophobicContact CD2-CZ2 3.66Å; L118-W121 VanDerWaalsContact O-CB 3.22Å; L118-W121 WeakPolarHBondContact O-CB 3.22Å; L118-W121 PolarHBondContact O-N 3.18Å
119	A	88.8	Confident	94.2	Very high	39 Å²	39	71 Å²	71	32%	0.322	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-55.9	-34.9	-174.8	0	0	0	0	0	114.9	N116 F117 W121 N122	N116-A119 HydrophobicContact CB-CB 4.2Å; N116-A119 VanDerWaalsContact CG-CB 3.46Å; N116-A119 WeakPolarHBondContact ND2-CB 3.43Å; N116-A119 WeakPolarHBondContact O-CB 3.24Å; N116-A119 PolarHBondContact O-N 3.45Å; N116-A119 VanDerWaalsContact O-N 3.11Å; F117-A119 PolarHBondContact O-N 3.12Å; A119-W121 PolarHBondContact O-N 2.7Å; A119-N122 PolarHBondContact O-ND2 2.77Å
120	H	89.6	Confident	94.3	Very high	67 Å²	67	64.5 Å²	64.5	31%	0.31	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-73.3	-12.4	179.2	65.1	-84.5	0	0	0	113.6	D64 L118 N122 R123	D64-H120 IonicContact OD1-CE1 2.7Å; D64-H120 PolarHBondContact OD1-CE1 3.2Å; D64-H120 IonicContact OD1-ND1 2.71Å; D64-H120 IonicContact OD1-NE2 2.64Å; D64-H120 PolarHBondContact OD1-NE2 3.16Å; L118-H120 PolarHBondContact O-N 2.61Å; L118-H120 VanDerWaalsContact O-N 3.08Å; H120-N122 PolarHBondContact O-N 2.8Å; H120-R123 PolarHBondContact O-N 2.91Å
121	W	92.3	Very high	94.4	Very high	11 Å²	11	58.1 Å²	58.1	4%	0.042	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-67.9	-22.3	179.9	-71.9	34.6	0	0	0	112.3	L62 M67 A99 L118 A119 R123 A174	L62-W121 HydrophobicContact CB-CH2 3.43Å; L62-W121 VanDerWaalsContact CB-CH2 3.43Å; L62-W121 HydrophobicContact CB-CZ2 3.92Å; L62-W121 HydrophobicContact CB-CZ3 4.09Å; L62-W121 HydrophobicContact CD1-CE3 4.36Å; L62-W121 HydrophobicContact CD1-CH2 3.82Å; L62-W121 HydrophobicContact CD1-CZ3 3.56Å; L62-W121 HydrophobicContact CG-CH2 4.28Å; L62-W121 HydrophobicContact CG-CZ3 4.49Å; M67-W121 HydrophobicContact CB-CG 4.41Å; M67-W121 HydrophobicContact CE-CB 3.91Å; M67-W121 HydrophobicContact CE-CD2 3.88Å; M67-W121 HydrophobicContact CE-CE3 4.16Å; M67-W121 HydrophobicContact CE-CG 3.79Å; M67-W121 HydrophobicContact CG-CD2 3.91Å; M67-W121 VanDerWaalsContact CG-CE2 3.5Å; M67-W121 HydrophobicContact CG-CG 4.22Å; M67-W121 HydrophobicContact CG-CH2 4.47Å; M67-W121 HydrophobicContact CG-CZ2 3.8Å; M67-W121 HydrophobicContact SD-CD2 4.43Å; A99-W121 HydrophobicContact CB-CH2 3.75Å; L118-W121 HydrophobicContact CB-CG 4.29Å; L118-W121 HydrophobicContact CD2-CD2 3.85Å; L118-W121 VanDerWaalsContact CD2-CE2 3.44Å; L118-W121 HydrophobicContact CD2-CE3 4.37Å; L118-W121 HydrophobicContact CD2-CG 4.33Å; L118-W121 HydrophobicContact CD2-CH2 4.18Å; L118-W121 HydrophobicContact CD2-CZ2 3.66Å; L118-W121 VanDerWaalsContact O-CB 3.22Å; L118-W121 WeakPolarHBondContact O-CB 3.22Å; L118-W121 PolarHBondContact O-N 3.18Å; A119-W121 PolarHBondContact O-N 2.7Å; W121-R123 PolarHBondContact O-N 3.01Å; W121-R123 VanDerWaalsContact O-N 3.14Å; W121-A174 HydrophobicContact CE3-CB 4.06Å
122	N	90.8	Very high	94.5	Very high	67 Å²	67	53.1 Å²	53.1	36%	0.358	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-69.9	-8.3	-177.6	-66.7	-40.6	0	0	0	114	A119 H120 V124 S125 T126	A119-N122 PolarHBondContact O-ND2 2.77Å; H120-N122 PolarHBondContact O-N 2.8Å; N122-V124 PolarHBondContact O-N 3.02Å; N122-V124 VanDerWaalsContact O-N 3.09Å; N122-S125 WeakPolarHBondContact O-CA 3.49Å; N122-S125 PolarHBondContact O-N 2.72Å; N122-S125 PolarHBondContact O-OG 3.08Å; N122-T126 PolarHBondContact O-N 2.79Å
123	R	96.4	Very high	94.6	Very high	45 Å²	45	51.3 Å²	51.3	17%	0.17	28%	0.281	C	S	.	.	H	α-helix	trans	-54.9	-33.8	-175.8	-178	61.9	-168.3	93.5	-4.4	113.4	L74 D75 E78 H120 W121 S125 T126 V127	L74-R123 HydrophobicContact CD1-CG 4.46Å; D75-R123 IonicContact OD1-CZ 2.96Å; D75-R123 IonicContact OD1-NE 3.54Å; D75-R123 PolarHBondContact OD1-NE 2.92Å; D75-R123 IonicContact OD1-NH2 3.92Å; D75-R123 PolarHBondContact OD1-NH2 3.29Å; D75-R123 IonicContact OD2-NE 2.82Å; E78-R123 IonicContact OE2-CZ 3.35Å; E78-R123 IonicContact OE2-NH1 3.65Å; E78-R123 IonicContact OE2-NH2 3.59Å; E78-R123 PolarHBondContact OE2-NH2 2.72Å; H120-R123 PolarHBondContact O-N 2.91Å; W121-R123 PolarHBondContact O-N 3.01Å; W121-R123 VanDerWaalsContact O-N 3.14Å; R123-S125 VanDerWaalsContact C-N 3.3Å; R123-S125 PolarHBondContact O-N 2.88Å; R123-T126 PolarHBondContact O-N 3.3Å; R123-T126 PolarHBondContact O-OG1 2.92Å; R123-V127 PolarHBondContact O-N 3.31Å
124	V	96.4	Very high	94.9	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.006	25%	0.247	C	C	.	.	H	α-helix	trans	-60.7	-39.9	175.4	-171.3	0	0	0	0	111.6	L70 L74 I88 N122 V127 V131 L146 M149	L70-V124 HydrophobicContact CD2-CG2 3.92Å; L70-V124 HydrophobicContact CG-CG2 4.46Å; L74-V124 HydrophobicContact CD1-CB 4.28Å; L74-V124 HydrophobicContact CD1-CG2 3.77Å; I88-V124 HydrophobicContact CD1-CG1 4.02Å; N122-V124 PolarHBondContact O-N 3.02Å; N122-V124 VanDerWaalsContact O-N 3.09Å; V124-V127 VanDerWaalsContact O-CG1 3.22Å; V124-V127 WeakPolarHBondContact O-CG1 3.3Å; V124-V131 HydrophobicContact CG1-CG1 4.33Å; V124-L146 HydrophobicContact CB-CD1 4.41Å; V124-L146 HydrophobicContact CG1-CD1 4.39Å; V124-L146 HydrophobicContact CG2-CD1 3.65Å; V124-M149 HydrophobicContact CB-CB 4.1Å; V124-M149 HydrophobicContact CB-SD 4.48Å; V124-M149 HydrophobicContact CG1-CB 4.11Å
125	S	95.4	Very high	95	Very high	34 Å²	34	39.4 Å²	39.4	24%	0.238	21%	0.214	C	C	.	.	H	α-helix	trans	-78.1	-17.5	180	66.4	0	0	0	0	114	N122 R123	N122-S125 WeakPolarHBondContact O-CA 3.49Å; N122-S125 PolarHBondContact O-N 2.72Å; N122-S125 PolarHBondContact O-OG 3.08Å; R123-S125 VanDerWaalsContact C-N 3.3Å; R123-S125 PolarHBondContact O-N 2.88Å
126	T	96.4	Very high	95.4	Very high	90 Å²	90	36.9 Å²	36.9	55%	0.552	19%	0.187	S	C	*	.	H	α-helix	trans	-102.4	-3.8	-177.3	65.5	0	0	0	0	113.9	N122 R123	N122-T126 PolarHBondContact O-N 2.79Å; R123-T126 PolarHBondContact O-N 3.3Å; R123-T126 PolarHBondContact O-OG1 2.92Å
127	V	97.5	Very high	95.8	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.012	16%	0.162	C	C	.	.			trans	-68.6	133.5	175.9	71	0	0	0	0	110.3	E78 R123 V124 K129 V131 K242	E78-V127 HydrophobicContact CB-CG2 4.11Å; E78-V127 HydrophobicContact CG-CG2 4.44Å; E78-V127 WeakPolarHBondContact OE2-CA 3.43Å; E78-V127 WeakPolarHBondContact OE2-CG2 3.27Å; R123-V127 PolarHBondContact O-N 3.31Å; V124-V127 VanDerWaalsContact O-CG1 3.22Å; V124-V127 WeakPolarHBondContact O-CG1 3.3Å; V127-K129 WeakPolarHBondContact CG1-O 3.45Å; V127-V131 HydrophobicContact CG1-CG2 3.25Å; V127-K242 WeakPolarHBondContact O-CE 3.23Å; V127-K242 PolarHBondContact O-NZ 3.13Å
128	R	98.1	Very high	96.2	Very high	171 Å²	171	31.9 Å²	31.9	65%	0.645	16%	0.162	S	C	*	.	S	Bend	trans	-76.4	-26.5	-176.9	-65.3	-175.4	-63.9	169.2	2.7	113.5	E78 A239	E78-R128 WeakPolarHBondContact OE1-CB 3.26Å; E78-R128 WeakPolarHBondContact OE1-CG 3.5Å; E78-R128 IonicContact OE1-CZ 3.39Å; E78-R128 PolarHBondContact OE1-N 2.72Å; E78-R128 IonicContact OE1-NE 2.68Å; E78-R128 PolarHBondContact OE1-NE 3.23Å; E78-R128 IonicContact OE1-NH2 3.27Å; E78-R128 PolarHBondContact OE2-N 2.94Å; R128-A239 HydrophobicContact CB-CB 4.32Å
129	K	98.6	Very high	96.5	Very high	24 Å²	24	30.4 Å²	30.4	10%	0.104	15%	0.154	C	C	.	.	S	Bend	trans	-74	145.7	175.2	-64.5	-174.6	-176.3	179.7	0	110.2	F77 E78 D80 I83 V127 K242	F77-K129 WeakPolarHBondContact O-CE 3.35Å; F77-K129 PolarHBondContact O-NZ 2.8Å; E78-K129 WeakPolarHBondContact O-CE 3.49Å; E78-K129 PolarHBondContact O-NZ 3.37Å; E78-K129 VanDerWaalsContact O-NZ 3.12Å; D80-K129 PolarHBondContact O-NZ 3.23Å; I83-K129 HydrophobicContact CG2-CD 4.38Å; I83-K129 WeakPolarHBondContact O-CD 3.47Å; I83-K129 VanDerWaalsContact O-CE 3.24Å; I83-K129 WeakPolarHBondContact O-CE 3.29Å; I83-K129 PolarHBondContact O-NZ 3.47Å; V127-K129 WeakPolarHBondContact CG1-O 3.45Å; K129-K242 PolarHBondContact O-NZ 2.79Å
130	P	98.8	Very high	97	Very high	14 Å²	14	30 Å²	30	9%	0.091	15%	0.146	C	C	.	.			trans	-63	139.8	174.4	-27.4	38.9	0	0	0	112.6	A85 V86 D151 I230	A85-P130 CarbonylContact C-O 3.56Å; A85-P130 WeakPolarHBondContact CA-O 3.28Å; V86-P130 PolarHBondContact N-O 2.58Å; P130-D151 VanDerWaalsContact CA-OD2 3.28Å; P130-D151 WeakPolarHBondContact CA-OD2 3.35Å; P130-I230 HydrophobicContact CB-CD1 4.15Å; P130-I230 HydrophobicContact CB-CG2 3.97Å; P130-I230 HydrophobicContact CG-CG2 3.68Å
131	V	98.9	Very high	97.4	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	130.2	179.9	-170.6	0	0	0	0	109.9	V86 I88 V124 V127 C150 D151 I152	V86-V131 HydrophobicContact CB-CG2 4.49Å; V86-V131 CarbonylContact O-C 3.52Å; V86-V131 VanDerWaalsContact O-CA 3.31Å; V86-V131 WeakPolarHBondContact O-CA 3.31Å; I88-V131 HydrophobicContact CD1-CG1 3.57Å; I88-V131 HydrophobicContact CG1-CG1 3.88Å; V124-V131 HydrophobicContact CG1-CG1 4.33Å; V127-V131 HydrophobicContact CG1-CG2 3.25Å; V131-C150 HydrophobicContact CB-CB 4.33Å; V131-C150 HydrophobicContact CG1-CB 4.12Å; V131-D151 PolarHBondContact N-OD2 3.08Å; V131-D151 PolarHBondContact O-N 3.11Å; V131-I152 PolarHBondContact O-N 3.25Å
132	I	98.9	Very high	97.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	121.4	178.2	-57.7	158.9	0	0	0	108.5	V86 V87 I88 I152 A223 C226 I230	V86-I132 PolarHBondContact O-N 3.26Å; V87-I132 CarbonylContact C-O 3.59Å; V87-I132 WeakPolarHBondContact CA-O 3.25Å; V87-I132 HydrophobicContact CG2-CB 4.26Å; V87-I132 HydrophobicContact CG2-CD1 4.31Å; I88-I132 PolarHBondContact N-O 3.05Å; I132-I152 CarbonylContact C-O 3.54Å; I132-I152 VanDerWaalsContact CA-O 3.31Å; I132-I152 WeakPolarHBondContact CA-O 3.38Å; I132-I152 HydrophobicContact CG1-CB 4.14Å; I132-I152 HydrophobicContact CG1-CD1 4.39Å; I132-I152 HydrophobicContact CG2-CB 4.42Å; I132-I152 HydrophobicContact CG2-CG2 4.23Å; I132-A223 HydrophobicContact CG2-CB 4.18Å; I132-C226 HydrophobicContact CD1-CB 3.96Å; I132-I230 HydrophobicContact CD1-CD1 4.14Å
133	A	98.9	Very high	98.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	122.7	166.4	0	0	0	0	0	109.7	I88 F95 V135 A147 C150 I152 I153 Y154	I88-A133 WeakPolarHBondContact O-CA 3.36Å; F95-A133 HydrophobicContact CZ-CB 4.47Å; A133-V135 HydrophobicContact CB-CG2 4.1Å; A133-A147 HydrophobicContact CB-CB 4.17Å; A133-C150 HydrophobicContact CB-CB 3.88Å; A133-I152 PolarHBondContact N-O 3.46Å; A133-I153 HydrophobicContact CB-CG1 4.36Å; A133-I153 HydrophobicContact CB-CG2 4.26Å; A133-Y154 PolarHBondContact O-N 3.36Å
134	A	98.9	Very high	98.2	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	98.5	169.5	0	0	0	0	0	108.9	V87 I88 T89 L219 A223	V87-A134 HydrophobicContact CG1-CB 4.17Å; I88-A134 PolarHBondContact O-N 3.32Å; T89-A134 PolarHBondContact OG1-O 3.04Å; T89-A134 VanDerWaalsContact OG1-O 3.07Å; A134-L219 HydrophobicContact CB-CD2 4.34Å; A134-L219 HydrophobicContact CB-CG 4.16Å; A134-A223 HydrophobicContact CB-CB 3.78Å
135	V	98.9	Very high	98.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	108.7	-170.3	-179.6	0	0	0	0	111.2	F95 A133 A139 A147 I153 Y154 A155 G156 A159 F161 L219	F95-V135 HydrophobicContact CB-CB 4.44Å; F95-V135 HydrophobicContact CB-CG1 3.86Å; F95-V135 HydrophobicContact CD1-CG2 4.36Å; F95-V135 HydrophobicContact CD2-CG2 4.02Å; F95-V135 HydrophobicContact CE2-CG2 4.34Å; F95-V135 HydrophobicContact CG-CB 4.48Å; F95-V135 HydrophobicContact CG-CG1 4.28Å; F95-V135 HydrophobicContact CG-CG2 4.04Å; A133-V135 HydrophobicContact CB-CG2 4.1Å; V135-A139 HydrophobicContact CG1-CB 3.57Å; V135-A147 HydrophobicContact CG2-CB 3.92Å; V135-I153 HydrophobicContact CG2-CG2 3.87Å; V135-Y154 PolarHBondContact N-O 3.4Å; V135-A155 CarbonylContact O-C 3.51Å; V135-A155 WeakPolarHBondContact O-CA 3.3Å; V135-G156 PolarHBondContact O-N 2.84Å; V135-A159 HydrophobicContact CG1-CB 4.18Å; V135-F161 HydrophobicContact CB-CE1 4.19Å; V135-F161 HydrophobicContact CB-CZ 3.97Å; V135-F161 HydrophobicContact CG1-CE1 3.76Å; V135-F161 HydrophobicContact CG1-CZ 3.68Å; V135-F161 HydrophobicContact CG2-CE1 4.15Å; V135-F161 HydrophobicContact CG2-CZ 4.35Å; V135-L219 VanDerWaalsContact C-CD2 3.47Å; V135-L219 WeakPolarHBondContact O-CD2 3.42Å
136	N	98.1	Very high	98.5	Very high	8 Å²	8	19.6 Å²	19.6	4%	0.043	10%	0.095	C	C	.	.			trans	-104.4	147.3	164.6	-97.4	-36.7	0	0	0	110.4	A94 F95 F138 G156 V216 L219	A94-N136 CarbonylContact C-O 3.44Å; F95-N136 PolarHBondContact N-O 3.05Å; N136-F138 PolarHBondContact O-N 3.1Å; N136-G156 WeakPolarHBondContact OD1-CA 3.49Å; N136-V216 PolarHBondContact ND2-O 2.97Å; N136-V216 VanDerWaalsContact ND2-O 3.13Å; N136-L219 HydrophobicContact CB-CD2 4.09Å; N136-L219 VanDerWaalsContact CG-CD2 3.42Å; N136-L219 WeakPolarHBondContact ND2-CD2 3.23Å
137	G	97.8	Very high	98.6	Very high	10 Å²	10	15.3 Å²	15.3	10%	0.103	7%	0.069	C	C	.	.	B	Isolated β-bridge	trans	57.3	-135.4	177.7	0	0	0	0	0	113.2	E92 R93 A159 Q160	E92-G137 PolarHBondContact O-N 3.45Å; R93-G137 WeakPolarHBondContact O-CA 3.5Å; G137-A159 CarbonylContact O-C 3.56Å; G137-A159 VanDerWaalsContact O-CA 3.27Å; G137-A159 WeakPolarHBondContact O-CA 3.29Å; G137-Q160 PolarHBondContact O-N 3.01Å
138	F	98.7	Very high	98.7	Very high	55 Å²	55	16.2 Å²	16.2	24%	0.241	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	125.7	-175.1	-59	-56.1	0	0	0	113.7	R93 A94 F95 A96 N136 L140 Q160	R93-F138 WeakPolarHBondContact O-CD2 3.27Å; R93-F138 PolarHBondContact O-N 3.37Å; A94-F138 HydrophobicContact CB-CB 4.21Å; F95-F138 PolarHBondContact N-O 3.49Å; A96-F138 PolarHBondContact N-O 2.96Å; N136-F138 PolarHBondContact O-N 3.1Å; F138-L140 HydrophobicContact CB-CD1 4.18Å; F138-L140 HydrophobicContact CB-CG 4.1Å; F138-L140 HydrophobicContact CD1-CD1 4.09Å; F138-L140 HydrophobicContact CD1-CG 4.49Å; F138-L140 HydrophobicContact CG-CD1 4.26Å; F138-Q160 HydrophobicContact CD1-CB 4.22Å; F138-Q160 VanDerWaalsContact CE1-OE1 3.23Å
139	A	98.8	Very high	98.7	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	89.3	159.1	0	0	0	0	0	108.1	F95 A96 V135 C144 Q160 F161 G162	F95-A139 HydrophobicContact CB-CB 4.25Å; F95-A139 HydrophobicContact CD1-CB 4.09Å; A96-A139 WeakPolarHBondContact O-CA 3.34Å; V135-A139 HydrophobicContact CG1-CB 3.57Å; A139-C144 VanDerWaalsContact O-CB 3.29Å; A139-C144 WeakPolarHBondContact O-CB 3.4Å; A139-Q160 PolarHBondContact N-O 3.26Å; A139-F161 HydrophobicContact CB-CD1 3.89Å; A139-F161 HydrophobicContact CB-CE1 4.01Å; A139-F161 WeakPolarHBondContact O-CA 3.42Å; A139-G162 PolarHBondContact O-N 2.91Å
140	L	98.8	Very high	98.7	Very high	29 Å²	29	7.9 Å²	7.9	15%	0.152	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	145.1	-172.1	-57.4	177.6	0	0	0	110.5	A96 G98 F138 G142 G143 P164 R198	A96-L140 PolarHBondContact O-N 3.45Å; G98-L140 WeakPolarHBondContact CA-O 3.49Å; G98-L140 PolarHBondContact N-O 3.49Å; F138-L140 HydrophobicContact CB-CD1 4.18Å; F138-L140 HydrophobicContact CB-CG 4.1Å; F138-L140 HydrophobicContact CD1-CD1 4.09Å; F138-L140 HydrophobicContact CD1-CG 4.49Å; F138-L140 HydrophobicContact CG-CD1 4.26Å; L140-G142 PolarHBondContact O-N 2.97Å; L140-G143 WeakPolarHBondContact O-CA 3.32Å; L140-G143 PolarHBondContact O-N 3.42Å; L140-P164 HydrophobicContact CB-CG 4.34Å; L140-R198 HydrophobicContact CD2-CG 3.8Å
141	G	98.6	Very high	98.7	Very high	1 Å²	1	9.7 Å²	9.7	1%	0.01	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	-125.4	177.9	0	0	0	0	0	112.4	G143 C144 E145 G162 E165	G141-G143 PolarHBondContact O-N 3.25Å; G141-C144 WeakPolarHBondContact O-CA 3.36Å; G141-C144 VanDerWaalsContact O-CB 3.24Å; G141-C144 WeakPolarHBondContact O-CB 3.47Å; G141-C144 PolarHBondContact O-N 2.88Å; G141-E145 WeakPolarHBondContact O-CG 3.35Å; G141-E145 PolarHBondContact O-N 2.74Å; G141-G162 PolarHBondContact N-O 2.81Å; G141-E165 WeakPolarHBondContact CA-OE1 3.41Å
142	G	98.3	Very high	98.7	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-45.7	-33.3	170.3	0	0	0	0	0	115.7	L62 L140 E145 L146 E165	L62-G142 VanDerWaalsContact CD1-C 3.46Å; L62-G142 VanDerWaalsContact CD1-O 3.31Å; L62-G142 WeakPolarHBondContact CD1-O 3.4Å; L140-G142 PolarHBondContact O-N 2.97Å; G142-E145 VanDerWaalsContact CA-OE2 3.32Å; G142-E145 WeakPolarHBondContact CA-OE2 3.2Å; G142-E145 PolarHBondContact N-OE2 2.84Å; G142-E145 PolarHBondContact O-N 3.28Å; G142-L146 WeakPolarHBondContact O-CB 3.5Å; G142-L146 PolarHBondContact O-N 3.12Å; G142-E165 PolarHBondContact N-OE1 2.92Å
143	G	98.7	Very high	98.7	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-71.9	-36	174.2	0	0	0	0	0	114	F95 L140 G141 A147	F95-G143 WeakPolarHBondContact CE1-O 3.44Å; L140-G143 WeakPolarHBondContact O-CA 3.32Å; L140-G143 PolarHBondContact O-N 3.42Å; G141-G143 PolarHBondContact O-N 3.25Å; G143-A147 PolarHBondContact O-N 3.14Å; G143-A147 VanDerWaalsContact O-N 3.16Å
144	C	98.9	Very high	98.7	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-65.7	-43.7	169.7	-170.4	0	0	0	0	110.3	A139 G141 A147 M148	A139-C144 VanDerWaalsContact O-CB 3.29Å; A139-C144 WeakPolarHBondContact O-CB 3.4Å; G141-C144 WeakPolarHBondContact O-CA 3.36Å; G141-C144 VanDerWaalsContact O-CB 3.24Å; G141-C144 WeakPolarHBondContact O-CB 3.47Å; G141-C144 PolarHBondContact O-N 2.88Å; C144-A147 PolarHBondContact O-N 3.32Å; C144-M148 WeakPolarHBondContact O-CG 3.39Å; C144-M148 PolarHBondContact O-N 3.27Å
145	E	98.9	Very high	98.7	Very high	5 Å²	5	13 Å²	13	2%	0.023	7%	0.068	C	C	.	.	H	α-helix	trans	-61.9	-43.5	178	-63	177.8	113.7	0	0	111.8	G141 G142 A147 M148 M149 P172 G173 A174 G175 G176	G141-E145 WeakPolarHBondContact O-CG 3.35Å; G141-E145 PolarHBondContact O-N 2.74Å; G142-E145 VanDerWaalsContact CA-OE2 3.32Å; G142-E145 WeakPolarHBondContact CA-OE2 3.2Å; G142-E145 PolarHBondContact N-OE2 2.84Å; G142-E145 PolarHBondContact O-N 3.28Å; E145-A147 PolarHBondContact O-N 3.47Å; E145-M148 HydrophobicContact CG-CE 4.29Å; E145-M148 CarbonylContact O-C 3.53Å; E145-M148 PolarHBondContact O-N 2.94Å; E145-M149 WeakPolarHBondContact O-CG 3.27Å; E145-M149 PolarHBondContact O-N 3.46Å; E145-P172 WeakPolarHBondContact OE1-CB 3.38Å; E145-G173 PolarHBondContact OE1-N 2.76Å; E145-A174 HydrophobicContact CB-CB 4Å; E145-A174 HydrophobicContact CG-CB 4.42Å; E145-A174 VanDerWaalsContact OE1-CA 3.29Å; E145-A174 WeakPolarHBondContact OE1-CA 3.45Å; E145-A174 PolarHBondContact OE1-N 3.33Å; E145-A174 WeakPolarHBondContact OE2-CB 3.32Å; E145-G175 PolarHBondContact OE1-N 2.71Å; E145-G176 WeakPolarHBondContact OE1-CA 3.47Å; E145-G176 PolarHBondContact OE1-N 2.71Å
146	L	98.8	Very high	98.7	Very high	2 Å²	2	13 Å²	13	1%	0.01	7%	0.068	C	C	.	.	H	α-helix	trans	-59.1	-44.5	173.7	173.7	59.5	0	0	0	112.1	L53 L62 M67 L70 F95 V124 G142 M148 M149 C150	L53-L146 HydrophobicContact CD1-CD2 3.99Å; L62-L146 HydrophobicContact CD1-CB 4.25Å; L62-L146 HydrophobicContact CD1-CD2 4.26Å; L62-L146 HydrophobicContact CD2-CD2 4.02Å; M67-L146 HydrophobicContact CE-CD1 4.44Å; L70-L146 HydrophobicContact CD2-CD1 3.86Å; L70-L146 HydrophobicContact CD2-CD2 4.27Å; F95-L146 HydrophobicContact CE1-CB 4.28Å; F95-L146 HydrophobicContact CE1-CD2 3.91Å; F95-L146 HydrophobicContact CE1-CG 3.98Å; F95-L146 HydrophobicContact CZ-CD2 4.05Å; F95-L146 HydrophobicContact CZ-CG 4.11Å; V124-L146 HydrophobicContact CB-CD1 4.41Å; V124-L146 HydrophobicContact CG1-CD1 4.39Å; V124-L146 HydrophobicContact CG2-CD1 3.65Å; G142-L146 WeakPolarHBondContact O-CB 3.5Å; G142-L146 PolarHBondContact O-N 3.12Å; L146-M148 VanDerWaalsContact C-N 3.32Å; L146-M148 PolarHBondContact O-N 3.42Å; L146-M149 PolarHBondContact O-N 2.9Å; L146-C150 PolarHBondContact O-SG 2.83Å
147	A	98.9	Very high	98.7	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61.4	-42.4	176	0	0	0	0	0	111.2	F95 A133 V135 G143 C144 E145 M149 C150 I153	F95-A147 HydrophobicContact CE1-CB 4.06Å; A133-A147 HydrophobicContact CB-CB 4.17Å; V135-A147 HydrophobicContact CG2-CB 3.92Å; G143-A147 PolarHBondContact O-N 3.14Å; G143-A147 VanDerWaalsContact O-N 3.16Å; C144-A147 PolarHBondContact O-N 3.32Å; E145-A147 PolarHBondContact O-N 3.47Å; A147-M149 VanDerWaalsContact C-N 3.28Å; A147-M149 PolarHBondContact O-N 3.05Å; A147-C150 VanDerWaalsContact O-CB 3.32Å; A147-C150 WeakPolarHBondContact O-CB 3.1Å; A147-C150 PolarHBondContact O-N 3.26Å; A147-C150 VanDerWaalsContact O-N 3.13Å; A147-I153 HydrophobicContact CB-CD1 4.1Å; A147-I153 VanDerWaalsContact O-CD1 3.31Å; A147-I153 WeakPolarHBondContact O-CD1 3.46Å; A147-I153 WeakPolarHBondContact O-CG1 3.13Å
148	M	98.9	Very high	98.7	Very high	21 Å²	21	24.7 Å²	24.7	10%	0.103	12%	0.117	C	C	.	.	H	α-helix	trans	-70.2	-17.9	177.1	-69	-173.7	-65	0	0	114.5	C144 E145 L146 C150 I153 R179 L180 L209	C144-M148 WeakPolarHBondContact O-CG 3.39Å; C144-M148 PolarHBondContact O-N 3.27Å; E145-M148 HydrophobicContact CG-CE 4.29Å; E145-M148 CarbonylContact O-C 3.53Å; E145-M148 PolarHBondContact O-N 2.94Å; L146-M148 VanDerWaalsContact C-N 3.32Å; L146-M148 PolarHBondContact O-N 3.42Å; M148-C150 VanDerWaalsContact C-N 3.28Å; M148-I153 HydrophobicContact CG-CD1 4.31Å; M148-R179 HydrophobicContact CB-CB 3.98Å; M148-R179 HydrophobicContact CE-CB 4.46Å; M148-R179 VanDerWaalsContact O-CD 3.29Å; M148-R179 WeakPolarHBondContact O-CD 3.32Å; M148-R179 HydrophobicContact SD-CB 4.07Å; M148-L180 HydrophobicContact CE-CB 4.13Å; M148-L180 VanDerWaalsContact SD-CA 3.59Å; M148-L180 HydrophobicContact SD-CB 3.83Å; M148-L180 HydrophobicContact SD-CD1 4.24Å; M148-L180 PolarHBondContact SD-N 3.19Å; M148-L180 VanDerWaalsContact SD-N 3.45Å; M148-L209 HydrophobicContact CG-CD1 3.67Å; M148-L209 HydrophobicContact SD-CD1 3.66Å
149	M	98.7	Very high	98.7	Very high	8 Å²	8	22.1 Å²	22.1	4%	0.039	11%	0.106	C	C	.	.	H	α-helix	trans	-75.3	-19	170.5	-70.9	178.5	-170.8	0	0	112.9	V124 E145 L146 A147 A174	V124-M149 HydrophobicContact CB-CB 4.1Å; V124-M149 HydrophobicContact CB-SD 4.48Å; V124-M149 HydrophobicContact CG1-CB 4.11Å; E145-M149 WeakPolarHBondContact O-CG 3.27Å; E145-M149 PolarHBondContact O-N 3.46Å; L146-M149 PolarHBondContact O-N 2.9Å; A147-M149 VanDerWaalsContact C-N 3.28Å; A147-M149 PolarHBondContact O-N 3.05Å; M149-A174 HydrophobicContact CE-CB 3.73Å; M149-A174 WeakPolarHBondContact CE-O 3.03Å
150	C	98.9	Very high	98.7	Very high	11 Å²	11	25 Å²	25	7%	0.074	12%	0.119	C	C	.	.	S	Bend	trans	-76.2	156.8	174.9	-58.9	0	0	0	0	110.6	V131 A133 L146 A147 M148	V131-C150 HydrophobicContact CB-CB 4.33Å; V131-C150 HydrophobicContact CG1-CB 4.12Å; A133-C150 HydrophobicContact CB-CB 3.88Å; L146-C150 PolarHBondContact O-SG 2.83Å; A147-C150 VanDerWaalsContact O-CB 3.32Å; A147-C150 WeakPolarHBondContact O-CB 3.1Å; A147-C150 PolarHBondContact O-N 3.26Å; A147-C150 VanDerWaalsContact O-N 3.13Å; M148-C150 VanDerWaalsContact C-N 3.28Å
151	D	98.9	Very high	98.8	Very high	53 Å²	53	23.6 Å²	23.6	28%	0.283	11%	0.112	S	C	.	.	S	Bend	trans	-76	-31.4	-177.1	-51.3	-67.2	0	0	0	112.1	P130 V131 K242	P130-D151 VanDerWaalsContact CA-OD2 3.28Å; P130-D151 WeakPolarHBondContact CA-OD2 3.35Å; V131-D151 PolarHBondContact N-OD2 3.08Å; V131-D151 PolarHBondContact O-N 3.11Å; D151-K242 VanDerWaalsContact CG-NZ 3.3Å; D151-K242 WeakPolarHBondContact OD1-CD 3.22Å; D151-K242 WeakPolarHBondContact OD1-CE 3.36Å; D151-K242 IonicContact OD1-NZ 3.81Å; D151-K242 PolarHBondContact OD1-NZ 3.04Å; D151-K242 VanDerWaalsContact OD1-NZ 3.08Å; D151-K242 WeakPolarHBondContact OD2-CE 3.45Å; D151-K242 IonicContact OD2-NZ 2.66Å; D151-K242 PolarHBondContact OD2-NZ 3.03Å
152	I	98.9	Very high	98.8	Very high	45 Å²	45	23.6 Å²	23.6	23%	0.231	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	133.3	-178.6	-63.3	173.5	0	0	0	108.5	V131 I132 A133 Y154 S211 I230	V131-I152 PolarHBondContact O-N 3.25Å; I132-I152 CarbonylContact C-O 3.54Å; I132-I152 VanDerWaalsContact CA-O 3.31Å; I132-I152 WeakPolarHBondContact CA-O 3.38Å; I132-I152 HydrophobicContact CG1-CB 4.14Å; I132-I152 HydrophobicContact CG1-CD1 4.39Å; I132-I152 HydrophobicContact CG2-CB 4.42Å; I132-I152 HydrophobicContact CG2-CG2 4.23Å; A133-I152 PolarHBondContact N-O 3.46Å; I152-Y154 HydrophobicContact CG2-CD1 3.96Å; I152-Y154 HydrophobicContact CG2-CE1 3.84Å; I152-S211 VanDerWaalsContact CG2-OG 3.32Å; I152-S211 WeakPolarHBondContact CG2-OG 3.16Å; I152-I230 HydrophobicContact CD1-CD1 4.02Å
153	I	98.9	Very high	98.8	Very high	12 Å²	12	23.6 Å²	23.6	6%	0.062	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	121.9	171.1	-46.7	-179.1	0	0	0	109.4	A133 V135 A147 M148 F161 V210 S211	A133-I153 HydrophobicContact CB-CG1 4.36Å; A133-I153 HydrophobicContact CB-CG2 4.26Å; V135-I153 HydrophobicContact CG2-CG2 3.87Å; A147-I153 HydrophobicContact CB-CD1 4.1Å; A147-I153 VanDerWaalsContact O-CD1 3.31Å; A147-I153 WeakPolarHBondContact O-CD1 3.46Å; A147-I153 WeakPolarHBondContact O-CG1 3.13Å; M148-I153 HydrophobicContact CG-CD1 4.31Å; I153-F161 HydrophobicContact CG2-CE1 4.38Å; I153-F161 HydrophobicContact CG2-CZ 4.37Å; I153-V210 HydrophobicContact CB-CB 4.34Å; I153-V210 HydrophobicContact CB-CG1 4.08Å; I153-V210 HydrophobicContact CG2-CB 4.32Å; I153-V210 HydrophobicContact CG2-CG1 3.69Å; I153-S211 PolarHBondContact O-N 3.04Å; I153-S211 PolarHBondContact O-OG 3.36Å
154	Y	98.9	Very high	98.8	Very high	13 Å²	13	25.3 Å²	25.3	5%	0.051	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	135.7	163.3	-75.3	-4.2	0	0	0	109.3	A133 V135 I152 S211 K212 Y214 A223 C226	A133-Y154 PolarHBondContact O-N 3.36Å; V135-Y154 PolarHBondContact N-O 3.4Å; I152-Y154 HydrophobicContact CG2-CD1 3.96Å; I152-Y154 HydrophobicContact CG2-CE1 3.84Å; Y154-S211 WeakPolarHBondContact CD1-OG 3.31Å; Y154-S211 WeakPolarHBondContact CE1-OG 3.35Å; Y154-K212 HydrophobicContact CD1-CB 3.7Å; Y154-K212 HydrophobicContact CD1-CG 4.21Å; Y154-K212 HydrophobicContact CE1-CB 3.67Å; Y154-K212 HydrophobicContact CE1-CD 3.75Å; Y154-K212 HydrophobicContact CE1-CG 3.66Å; Y154-K212 HydrophobicContact CG-CB 4.4Å; Y154-K212 PolarHBondContact OH-NZ 3.27Å; Y154-Y214 HydrophobicContact CD1-CE2 4.38Å; Y154-Y214 HydrophobicContact CD2-CD2 4.12Å; Y154-Y214 AromaticContact CD2-CE2 3.56Å; Y154-Y214 HydrophobicContact CD2-CE2 3.56Å; Y154-Y214 HydrophobicContact CE1-CE2 4.47Å; Y154-Y214 AromaticContact CE2-CE2 3.66Å; Y154-Y214 HydrophobicContact CE2-CE2 3.66Å; Y154-Y214 HydrophobicContact CG-CD2 4.32Å; Y154-Y214 AromaticContact CG-CE2 3.95Å; Y154-Y214 HydrophobicContact CG-CE2 3.95Å; Y154-A223 HydrophobicContact CD2-CB 4.25Å; Y154-C226 HydrophobicContact CE2-CB 3.75Å; Y154-C226 PolarHBondContact OH-SG 3.39Å; Y154-C226 VanDerWaalsContact OH-SG 3.37Å
155	A	98.9	Very high	98.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	141	-179.3	0	0	0	0	0	111.2	V135 A159 F161 A201 V210 K212 I213 Y214	V135-A155 CarbonylContact O-C 3.51Å; V135-A155 WeakPolarHBondContact O-CA 3.3Å; A155-A159 HydrophobicContact CB-CB 3.96Å; A155-F161 HydrophobicContact CB-CE2 4.19Å; A155-F161 HydrophobicContact CB-CZ 4.17Å; A155-A201 HydrophobicContact CB-CB 4.14Å; A155-V210 HydrophobicContact CB-CB 4.4Å; A155-V210 HydrophobicContact CB-CG1 4.25Å; A155-V210 HydrophobicContact CB-CG2 4.19Å; A155-K212 PolarHBondContact N-O 3.48Å; A155-I213 CarbonylContact O-C 3.58Å; A155-I213 VanDerWaalsContact O-CA 3.23Å; A155-I213 WeakPolarHBondContact O-CA 3.49Å; A155-Y214 PolarHBondContact O-N 3.44Å
156	G	98.8	Very high	98.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	152.7	160.2	0	0	0	0	0	110.3	V135 N136 K158 A159 A201 Y214	V135-G156 PolarHBondContact O-N 2.84Å; N136-G156 WeakPolarHBondContact OD1-CA 3.49Å; G156-K158 PolarHBondContact O-N 3.24Å; G156-A159 WeakPolarHBondContact O-CB 3.49Å; G156-A159 PolarHBondContact O-N 2.99Å; G156-A201 WeakPolarHBondContact O-CB 3.29Å; G156-Y214 CarbonylContact C-O 3.48Å; G156-Y214 VanDerWaalsContact CA-O 3.29Å; G156-Y214 WeakPolarHBondContact CA-O 3.22Å
157	E	98.4	Very high	98.7	Very high	113 Å²	113	35.2 Å²	35.2	53%	0.528	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-27.4	178.7	-75.3	169.6	175.6	0	0	114.1	I213 Y214	E157-I213 HydrophobicContact CB-CG2 4.42Å; E157-I213 HydrophobicContact CG-CG2 3.8Å; E157-Y214 PolarHBondContact N-O 2.63Å
158	K	97.9	Very high	98.7	Very high	150 Å²	150	40.5 Å²	40.5	65%	0.652	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.9	8.4	179.2	-60.3	-176.8	-175.5	171.3	0	114	G156 V216	G156-K158 PolarHBondContact O-N 3.24Å; K158-V216 HydrophobicContact CB-CG2 4.16Å; K158-V216 HydrophobicContact CD-CG2 4.13Å; K158-V216 HydrophobicContact CG-CG2 3.99Å
159	A	98.8	Very high	98.7	Very high	1 Å²	1	43 Å²	43	1%	0.008	23%	0.233	C	C	.	.			trans	-65.3	144.1	179.4	0	0	0	0	0	111.4	V135 G137 A155 G156 F161 A201	V135-A159 HydrophobicContact CG1-CB 4.18Å; G137-A159 CarbonylContact O-C 3.56Å; G137-A159 VanDerWaalsContact O-CA 3.27Å; G137-A159 WeakPolarHBondContact O-CA 3.29Å; A155-A159 HydrophobicContact CB-CB 3.96Å; G156-A159 WeakPolarHBondContact O-CB 3.49Å; G156-A159 PolarHBondContact O-N 2.99Å; A159-F161 HydrophobicContact CB-CE2 3.81Å; A159-F161 HydrophobicContact CB-CZ 4.21Å; A159-A201 HydrophobicContact CB-CB 4.24Å; A159-A201 PolarHBondContact O-N 3.5Å; A159-A201 VanDerWaalsContact O-N 3.08Å
160	Q	98.8	Very high	98.6	Very high	60 Å²	60	46.1 Å²	46.1	28%	0.28	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	131.8	174.7	-66	-168.3	-21.4	0	0	110.2	G137 F138 A139 I199	G137-Q160 PolarHBondContact O-N 3.01Å; F138-Q160 HydrophobicContact CD1-CB 4.22Å; F138-Q160 VanDerWaalsContact CE1-OE1 3.23Å; A139-Q160 PolarHBondContact N-O 3.26Å; Q160-I199 WeakPolarHBondContact CA-O 3.44Å
161	F	98.9	Very high	98.6	Very high	1 Å²	1	50.9 Å²	50.9	0%	0.004	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	143.2	-178.1	-59	-93.3	0	0	0	110.1	V135 A139 I153 A155 A159 R198 I199 A204 L209 V210	V135-F161 HydrophobicContact CB-CE1 4.19Å; V135-F161 HydrophobicContact CB-CZ 3.97Å; V135-F161 HydrophobicContact CG1-CE1 3.76Å; V135-F161 HydrophobicContact CG1-CZ 3.68Å; V135-F161 HydrophobicContact CG2-CE1 4.15Å; V135-F161 HydrophobicContact CG2-CZ 4.35Å; A139-F161 HydrophobicContact CB-CD1 3.89Å; A139-F161 HydrophobicContact CB-CE1 4.01Å; A139-F161 WeakPolarHBondContact O-CA 3.42Å; I153-F161 HydrophobicContact CG2-CE1 4.38Å; I153-F161 HydrophobicContact CG2-CZ 4.37Å; A155-F161 HydrophobicContact CB-CE2 4.19Å; A155-F161 HydrophobicContact CB-CZ 4.17Å; A159-F161 HydrophobicContact CB-CE2 3.81Å; A159-F161 HydrophobicContact CB-CZ 4.21Å; F161-R198 CarbonylContact O-C 3.47Å; F161-R198 WeakPolarHBondContact O-CA 2.95Å; F161-I199 HydrophobicContact CB-CG1 3.96Å; F161-I199 PolarHBondContact N-O 2.96Å; F161-I199 PolarHBondContact O-N 3.44Å; F161-A204 HydrophobicContact CD2-CB 3.77Å; F161-A204 HydrophobicContact CE2-CB 4Å; F161-L209 HydrophobicContact CB-CD2 3.97Å; F161-L209 HydrophobicContact CD1-CD2 4.08Å; F161-L209 HydrophobicContact CG-CD2 3.94Å; F161-V210 HydrophobicContact CE1-CG1 4.26Å; F161-V210 HydrophobicContact CE2-CG1 3.93Å; F161-V210 HydrophobicContact CZ-CG1 3.63Å
162	G	98.8	Very high	98.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.3	163	179.2	0	0	0	0	0	113.4	A139 G141 P164	A139-G162 PolarHBondContact O-N 2.91Å; G141-G162 PolarHBondContact N-O 2.81Å; G162-P164 VanDerWaalsContact C-CD 3.48Å; G162-P164 WeakPolarHBondContact O-CD 3.29Å
163	Q	98.8	Very high	98.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.28	C	S	.	.			trans	-123.1	70.8	177.4	-64.7	-65.6	-6.4	0	0	110.2	E165 P172 L180 V193	Q163-E165 VanDerWaalsContact CA-OE2 3.23Å; Q163-E165 WeakPolarHBondContact CA-OE2 3.36Å; Q163-E165 PolarHBondContact O-N 2.95Å; Q163-E165 PolarHBondContact OE1-OE2 3.43Å; Q163-P172 HydrophobicContact CB-CG 3.96Å; Q163-P172 HydrophobicContact CG-CG 4.2Å; Q163-L180 HydrophobicContact CG-CD2 3.82Å; Q163-V193 HydrophobicContact CB-CG2 3.91Å; Q163-V193 HydrophobicContact CG-CG2 4.12Å
164	P	98.6	Very high	98.4	Very high	37 Å²	37	48.9 Å²	48.9	24%	0.24	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-80	10.3	-172.3	35.9	-37.2	0	0	0	114.4	L140 G162 I166 L167	L140-P164 HydrophobicContact CB-CG 4.34Å; G162-P164 VanDerWaalsContact C-CD 3.48Å; G162-P164 WeakPolarHBondContact O-CD 3.29Å; P164-I166 PolarHBondContact O-N 3.32Å; P164-I166 VanDerWaalsContact O-N 3.12Å; P164-L167 HydrophobicContact CB-CD1 4.15Å; P164-L167 VanDerWaalsContact O-CB 3.32Å; P164-L167 WeakPolarHBondContact O-CB 3.37Å; P164-L167 PolarHBondContact O-N 3.11Å
165	E	98.7	Very high	98.4	Very high	22 Å²	22	49 Å²	49	10%	0.103	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-51.8	-34.3	-179	-79.3	77.7	-174.5	0	0	113.5	G141 G142 Q163 L167 L168 G169 T170 P172	G141-E165 WeakPolarHBondContact CA-OE1 3.41Å; G142-E165 PolarHBondContact N-OE1 2.92Å; Q163-E165 VanDerWaalsContact CA-OE2 3.23Å; Q163-E165 WeakPolarHBondContact CA-OE2 3.36Å; Q163-E165 PolarHBondContact O-N 2.95Å; Q163-E165 PolarHBondContact OE1-OE2 3.43Å; E165-L167 PolarHBondContact O-N 2.91Å; E165-L168 WeakPolarHBondContact O-CA 3.26Å; E165-L168 WeakPolarHBondContact O-CB 3.43Å; E165-L168 PolarHBondContact O-N 2.99Å; E165-G169 PolarHBondContact O-N 3.42Å; E165-T170 CarbonylContact C-O 3.57Å; E165-T170 HydrophobicContact CB-CG2 3.86Å; E165-T170 HydrophobicContact CG-CG2 4.12Å; E165-T170 PolarHBondContact O-N 2.62Å; E165-P172 HydrophobicContact CB-CG 4.49Å; E165-P172 HydrophobicContact CG-CG 4.46Å
166	I	98.7	Very high	98.4	Very high	67 Å²	67	49 Å²	49	34%	0.344	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-59.4	-31.3	178.9	-167.5	62.2	0	0	0	112.5	P164 L168 G169 T170 V193	P164-I166 PolarHBondContact O-N 3.32Å; P164-I166 VanDerWaalsContact O-N 3.12Å; I166-L168 PolarHBondContact O-N 3.5Å; I166-G169 PolarHBondContact O-N 2.97Å; I166-G169 VanDerWaalsContact O-N 3.07Å; I166-T170 WeakPolarHBondContact CA-O 3.43Å; I166-T170 PolarHBondContact N-O 3Å; I166-V193 WeakPolarHBondContact CB-O 3.09Å; I166-V193 WeakPolarHBondContact CG2-O 3.48Å
167	L	98.4	Very high	98.4	Very high	125 Å²	125	51 Å²	51	65%	0.654	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-70.5	-13.8	177.6	-54	179.7	0	0	0	112.6	P164 E165	P164-L167 HydrophobicContact CB-CD1 4.15Å; P164-L167 VanDerWaalsContact O-CB 3.32Å; P164-L167 WeakPolarHBondContact O-CB 3.37Å; P164-L167 PolarHBondContact O-N 3.11Å; E165-L167 PolarHBondContact O-N 2.91Å
168	L	98	Very high	98.4	Very high	111 Å²	111	50.5 Å²	50.5	58%	0.581	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-105.3	7.1	175	-55.8	179.2	0	0	0	112.3	I101 E165 I166 T170	I101-L168 HydrophobicContact CD1-CD1 3.46Å; I101-L168 VanDerWaalsContact CD1-CD1 3.46Å; I101-L168 HydrophobicContact CG1-CD1 4.04Å; E165-L168 WeakPolarHBondContact O-CA 3.26Å; E165-L168 WeakPolarHBondContact O-CB 3.43Å; E165-L168 PolarHBondContact O-N 2.99Å; I166-L168 PolarHBondContact O-N 3.5Å; L168-T170 VanDerWaalsContact C-N 3.33Å
169	G	97.9	Very high	98.4	Very high	74 Å²	74	46.9 Å²	46.9	76%	0.763	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	25.2	-178.2	0	0	0	0	0	114	E165 I166	E165-G169 PolarHBondContact O-N 3.42Å; I166-G169 PolarHBondContact O-N 2.97Å; I166-G169 VanDerWaalsContact O-N 3.07Å
170	T	98.3	Very high	98.4	Very high	73 Å²	73	46.8 Å²	46.8	45%	0.448	28%	0.277	S	S	.	.			trans	-131.3	-176.9	174.7	-165.4	0	0	0	0	111.1	E165 I166 L168	E165-T170 CarbonylContact C-O 3.57Å; E165-T170 HydrophobicContact CB-CG2 3.86Å; E165-T170 HydrophobicContact CG-CG2 4.12Å; E165-T170 PolarHBondContact O-N 2.62Å; I166-T170 WeakPolarHBondContact CA-O 3.43Å; I166-T170 PolarHBondContact N-O 3Å; L168-T170 VanDerWaalsContact C-N 3.33Å
171	I	98.6	Very high	98.4	Very high	112 Å²	112	46.5 Å²	46.5	57%	0.574	28%	0.279	S	S	*	.			trans	-122.2	162.4	176.5	64.3	169.3	0	0	0	110.3	G173	I171-G173 PolarHBondContact O-N 3.28Å
172	P	98.6	Very high	98.4	Very high	7 Å²	7	52.3 Å²	52.3	5%	0.045	30%	0.301	C	S	.	.			trans	-56.8	129.5	172	-24.1	33.6	0	0	0	111.8	E145 Q163 E165 T177 V193	E145-P172 WeakPolarHBondContact OE1-CB 3.38Å; Q163-P172 HydrophobicContact CB-CG 3.96Å; Q163-P172 HydrophobicContact CG-CG 4.2Å; E165-P172 HydrophobicContact CB-CG 4.49Å; E165-P172 HydrophobicContact CG-CG 4.46Å; P172-T177 HydrophobicContact CB-CG2 4.2Å; P172-T177 HydrophobicContact CG-CG2 4.05Å; P172-V193 HydrophobicContact CG-CG1 4.38Å; P172-V193 HydrophobicContact CG-CG2 4.39Å
173	G	97.2	Very high	98.4	Very high	53 Å²	53	54.1 Å²	54.1	55%	0.546	32%	0.316	S	S	.	.			trans	-113.5	-10.2	-169.6	0	0	0	0	0	115.2	E145 I171	E145-G173 PolarHBondContact OE1-N 2.76Å; I171-G173 PolarHBondContact O-N 3.28Å
174	A	97.3	Very high	98.4	Very high	7 Å²	7	55 Å²	55	6%	0.058	32%	0.321	C	S	.	.	S	Bend	trans	-114.9	23.2	-178.9	0	0	0	0	0	112.5	W121 E145 M149 R179	W121-A174 HydrophobicContact CE3-CB 4.06Å; E145-A174 HydrophobicContact CB-CB 4Å; E145-A174 HydrophobicContact CG-CB 4.42Å; E145-A174 VanDerWaalsContact OE1-CA 3.29Å; E145-A174 WeakPolarHBondContact OE1-CA 3.45Å; E145-A174 PolarHBondContact OE1-N 3.33Å; E145-A174 WeakPolarHBondContact OE2-CB 3.32Å; M149-A174 HydrophobicContact CE-CB 3.73Å; M149-A174 WeakPolarHBondContact CE-O 3.03Å; A174-R179 PolarHBondContact O-NH1 2.95Å
175	G	97.6	Very high	98.4	Very high	15 Å²	15	54.8 Å²	54.8	16%	0.155	33%	0.326	C	S	.	.	S	Bend	trans	106.1	10.7	173.8	0	0	0	0	0	115.2	E145 T177 Q178 R179	E145-G175 PolarHBondContact OE1-N 2.71Å; G175-T177 VanDerWaalsContact C-N 3.27Å; G175-T177 PolarHBondContact O-N 2.9Å; G175-Q178 CarbonylContact O-C 3.58Å; G175-Q178 WeakPolarHBondContact O-CA 3.31Å; G175-Q178 PolarHBondContact O-N 2.82Å; G175-R179 PolarHBondContact O-N 3.21Å
176	G	98.6	Very high	98.4	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-28.6	179.7	0	0	0	0	0	113.9	E145 Q178 L180	E145-G176 WeakPolarHBondContact OE1-CA 3.47Å; E145-G176 PolarHBondContact OE1-N 2.71Å; G176-Q178 VanDerWaalsContact C-N 3.33Å; G176-L180 WeakPolarHBondContact O-CB 3.4Å
177	T	98.8	Very high	98.4	Very high	44 Å²	44	62.7 Å²	62.7	27%	0.27	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-12.9	171.3	59.4	0	0	0	0	113.4	P172 G175 T181 V193	P172-T177 HydrophobicContact CB-CG2 4.2Å; P172-T177 HydrophobicContact CG-CG2 4.05Å; G175-T177 VanDerWaalsContact C-N 3.27Å; G175-T177 PolarHBondContact O-N 2.9Å; T177-T181 WeakPolarHBondContact O-CB 3.47Å; T177-T181 PolarHBondContact O-OG1 2.78Å; T177-V193 HydrophobicContact CG2-CG1 4.32Å
178	Q	98.8	Very high	98.5	Very high	101 Å²	101	58.7 Å²	58.7	47%	0.472	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-56	-172.2	-60.1	-53.1	-50.1	0	0	112.4	G175 G176 R182	G175-Q178 CarbonylContact O-C 3.58Å; G175-Q178 WeakPolarHBondContact O-CA 3.31Å; G175-Q178 PolarHBondContact O-N 2.82Å; G176-Q178 VanDerWaalsContact C-N 3.33Å; Q178-R182 WeakPolarHBondContact O-CD 3.5Å; Q178-R182 WeakPolarHBondContact O-CG 3.4Å; Q178-R182 PolarHBondContact O-N 3.28Å; Q178-R182 PolarHBondContact O-NH1 3.16Å; Q178-R182 VanDerWaalsContact O-NH1 3.15Å; Q178-R182 VanDerWaalsContact OE1-NH1 3.15Å
179	R	98.8	Very high	98.5	Very high	74 Å²	74	53.5 Å²	53.5	28%	0.279	32%	0.322	S	S	.	.	H	α-helix	trans	-73.6	-43.4	-178	-64	-170.9	176.8	86.6	2.2	111.4	M148 A174 G175 T181 R182 A183	M148-R179 HydrophobicContact CB-CB 3.98Å; M148-R179 HydrophobicContact CE-CB 4.46Å; M148-R179 VanDerWaalsContact O-CD 3.29Å; M148-R179 WeakPolarHBondContact O-CD 3.32Å; M148-R179 HydrophobicContact SD-CB 4.07Å; A174-R179 PolarHBondContact O-NH1 2.95Å; G175-R179 PolarHBondContact O-N 3.21Å; R179-T181 PolarHBondContact O-N 3.25Å; R179-R182 PolarHBondContact O-N 3.22Å; R179-A183 PolarHBondContact O-N 3.49Å
180	L	98.9	Very high	98.6	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-57.7	-52.3	176.5	-176.8	61	0	0	0	110.4	M148 Q163 G176 R182 A183 V184 A189 M192 V193 L209	M148-L180 HydrophobicContact CE-CB 4.13Å; M148-L180 VanDerWaalsContact SD-CA 3.59Å; M148-L180 HydrophobicContact SD-CB 3.83Å; M148-L180 HydrophobicContact SD-CD1 4.24Å; M148-L180 PolarHBondContact SD-N 3.19Å; M148-L180 VanDerWaalsContact SD-N 3.45Å; Q163-L180 HydrophobicContact CG-CD2 3.82Å; G176-L180 WeakPolarHBondContact O-CB 3.4Å; L180-R182 VanDerWaalsContact C-N 3.26Å; L180-R182 PolarHBondContact O-N 3.46Å; L180-A183 WeakPolarHBondContact O-CA 3.46Å; L180-A183 PolarHBondContact O-N 3.47Å; L180-V184 HydrophobicContact CD1-CG1 3.92Å; L180-V184 HydrophobicContact CD1-CG2 3.78Å; L180-V184 HydrophobicContact CG-CG2 3.91Å; L180-V184 WeakPolarHBondContact O-CG2 3.33Å; L180-V184 PolarHBondContact O-N 2.97Å; L180-A189 HydrophobicContact CD2-CB 4.27Å; L180-A189 HydrophobicContact CG-CB 4.11Å; L180-M192 HydrophobicContact CD1-CE 4.06Å; L180-M192 HydrophobicContact CD1-SD 4.1Å; L180-M192 HydrophobicContact CD2-CB 4.25Å; L180-M192 HydrophobicContact CD2-CE 4.01Å; L180-M192 HydrophobicContact CD2-SD 4.04Å; L180-V193 HydrophobicContact CD2-CG2 4.22Å; L180-L209 HydrophobicContact CD1-CD1 4.28Å; L180-L209 HydrophobicContact CD1-CD2 4.29Å
181	T	98.9	Very high	98.6	Very high	53 Å²	53	56.7 Å²	56.7	33%	0.325	31%	0.313	S	S	.	.	H	α-helix	trans	-57.6	-38	-179.2	-52.5	0	0	0	0	112.8	T177 R179 G185 A189	T177-T181 WeakPolarHBondContact O-CB 3.47Å; T177-T181 PolarHBondContact O-OG1 2.78Å; R179-T181 PolarHBondContact O-N 3.25Å; T181-G185 VanDerWaalsContact O-CA 3.27Å; T181-G185 WeakPolarHBondContact O-CA 3.31Å; T181-G185 PolarHBondContact O-N 3.38Å; T181-A189 HydrophobicContact CG2-CB 4.39Å; T181-A189 WeakPolarHBondContact OG1-CB 3.2Å
182	R	98.8	Very high	98.6	Very high	124 Å²	124	51.4 Å²	51.4	47%	0.468	29%	0.286	S	S	.	.	H	α-helix	trans	-70.1	-31.5	175.8	-76.4	167.5	172.6	79.3	-5.4	112.7	Q178 R179 L180 Y249	Q178-R182 WeakPolarHBondContact O-CD 3.5Å; Q178-R182 WeakPolarHBondContact O-CG 3.4Å; Q178-R182 PolarHBondContact O-N 3.28Å; Q178-R182 PolarHBondContact O-NH1 3.16Å; Q178-R182 VanDerWaalsContact O-NH1 3.15Å; Q178-R182 VanDerWaalsContact OE1-NH1 3.15Å; R179-R182 PolarHBondContact O-N 3.22Å; L180-R182 VanDerWaalsContact C-N 3.26Å; L180-R182 PolarHBondContact O-N 3.46Å; R182-Y249 HydrophobicContact CB-CD1 4.34Å; R182-Y249 HydrophobicContact CB-CE1 4.1Å; R182-Y249 HydrophobicContact CG-CD1 4.28Å
183	A	98.8	Very high	98.6	Very high	37 Å²	37	52 Å²	52	31%	0.306	29%	0.289	S	S	.	.	H	α-helix	trans	-79.1	-52.1	178.1	0	0	0	0	0	112.4	R179 L180 L209	R179-A183 PolarHBondContact O-N 3.49Å; L180-A183 WeakPolarHBondContact O-CA 3.46Å; L180-A183 PolarHBondContact O-N 3.47Å; A183-L209 HydrophobicContact CB-CD1 4.21Å
184	V	98.8	Very high	98.7	Very high	19 Å²	19	54.6 Å²	54.6	12%	0.115	29%	0.29	C	S	.	.	H	α-helix	trans	-105.4	-2.9	-167	-51.2	0	0	0	0	114.8	L180 L188 A189 S207 L209	L180-V184 HydrophobicContact CD1-CG1 3.92Å; L180-V184 HydrophobicContact CD1-CG2 3.78Å; L180-V184 HydrophobicContact CG-CG2 3.91Å; L180-V184 WeakPolarHBondContact O-CG2 3.33Å; L180-V184 PolarHBondContact O-N 2.97Å; V184-L188 HydrophobicContact CB-CB 4.42Å; V184-L188 HydrophobicContact CB-CD2 4.05Å; V184-L188 HydrophobicContact CB-CG 4.4Å; V184-L188 HydrophobicContact CG2-CB 4Å; V184-L188 HydrophobicContact CG2-CD2 4.26Å; V184-L188 HydrophobicContact CG2-CG 4.06Å; V184-A189 HydrophobicContact CG2-CB 4.01Å; V184-S207 WeakPolarHBondContact CA-O 3.15Å; V184-S207 WeakPolarHBondContact CG1-OG 3.4Å; V184-L209 HydrophobicContact CG1-CB 3.85Å
185	G	98.8	Very high	98.8	Very high	33 Å²	33	57.1 Å²	57.1	34%	0.34	31%	0.305	S	S	.	.			trans	78	169.3	-175.7	0	0	0	0	0	113.9	T181 S187 A189	T181-G185 VanDerWaalsContact O-CA 3.27Å; T181-G185 WeakPolarHBondContact O-CA 3.31Å; T181-G185 PolarHBondContact O-N 3.38Å; G185-S187 PolarHBondContact O-N 2.85Å; G185-A189 VanDerWaalsContact O-CB 3.29Å; G185-A189 WeakPolarHBondContact O-CB 3.28Å; G185-A189 PolarHBondContact O-N 2.79Å
186	K	98.8	Very high	98.8	Very high	159 Å²	159	56.8 Å²	56.8	69%	0.691	30%	0.301	S	S	*	.	H	α-helix	trans	-60.4	-46.2	-169.2	-171.4	-171.6	73.1	174.5	0	113.9	M190	K186-M190 HydrophobicContact CG-CG 4.35Å; K186-M190 WeakPolarHBondContact O-CB 3.19Å; K186-M190 VanDerWaalsContact O-CG 3.3Å; K186-M190 WeakPolarHBondContact O-CG 3.44Å; K186-M190 PolarHBondContact O-N 2.97Å
187	S	98.9	Very high	98.8	Very high	95 Å²	95	61.3 Å²	61.3	66%	0.664	33%	0.325	S	S	*	.	H	α-helix	trans	-67	-51.7	-168.7	-160.4	0	0	0	0	111.7	G185 M190 E191	G185-S187 PolarHBondContact O-N 2.85Å; S187-M190 PolarHBondContact O-N 3.07Å; S187-E191 PolarHBondContact O-N 3.46Å
188	L	98.9	Very high	98.8	Very high	42 Å²	42	65.5 Å²	65.5	22%	0.22	34%	0.336	C	S	.	.	H	α-helix	trans	-67.1	-38.3	179.9	-178.8	55.8	0	0	0	111.5	V184 M190 E191 M192 I199	V184-L188 HydrophobicContact CB-CB 4.42Å; V184-L188 HydrophobicContact CB-CD2 4.05Å; V184-L188 HydrophobicContact CB-CG 4.4Å; V184-L188 HydrophobicContact CG2-CB 4Å; V184-L188 HydrophobicContact CG2-CD2 4.26Å; V184-L188 HydrophobicContact CG2-CG 4.06Å; L188-M190 VanDerWaalsContact C-N 3.35Å; L188-M190 PolarHBondContact O-N 2.71Å; L188-E191 PolarHBondContact O-N 3.3Å; L188-M192 HydrophobicContact CD1-CG 4.08Å; L188-M192 HydrophobicContact CD1-SD 4.15Å; L188-M192 HydrophobicContact CG-CG 4.42Å; L188-M192 HydrophobicContact CG-SD 3.95Å; L188-M192 VanDerWaalsContact O-CG 3.3Å; L188-M192 WeakPolarHBondContact O-CG 3.17Å; L188-M192 PolarHBondContact O-N 2.81Å; L188-I199 HydrophobicContact CD1-CG2 4.1Å
189	A	98.9	Very high	98.8	Very high	2 Å²	2	61.2 Å²	61.2	2%	0.017	32%	0.316	C	S	.	.	H	α-helix	trans	-61.8	-42.2	174.8	0	0	0	0	0	112.2	L180 T181 V184 G185 V193	L180-A189 HydrophobicContact CD2-CB 4.27Å; L180-A189 HydrophobicContact CG-CB 4.11Å; T181-A189 HydrophobicContact CG2-CB 4.39Å; T181-A189 WeakPolarHBondContact OG1-CB 3.2Å; V184-A189 HydrophobicContact CG2-CB 4.01Å; G185-A189 VanDerWaalsContact O-CB 3.29Å; G185-A189 WeakPolarHBondContact O-CB 3.28Å; G185-A189 PolarHBondContact O-N 2.79Å; A189-V193 VanDerWaalsContact O-CB 3.28Å; A189-V193 WeakPolarHBondContact O-CB 3.41Å; A189-V193 WeakPolarHBondContact O-CG2 3.47Å; A189-V193 PolarHBondContact O-N 3.09Å
190	M	98.9	Very high	98.8	Very high	103 Å²	103	60.7 Å²	60.7	51%	0.507	32%	0.319	S	S	.	.	H	α-helix	trans	-63.3	-44.6	175.3	-79.6	-69.5	-176.3	0	0	111.9	K186 S187 L188 V193 L194	K186-M190 HydrophobicContact CG-CG 4.35Å; K186-M190 WeakPolarHBondContact O-CB 3.19Å; K186-M190 VanDerWaalsContact O-CG 3.3Å; K186-M190 WeakPolarHBondContact O-CG 3.44Å; K186-M190 PolarHBondContact O-N 2.97Å; S187-M190 PolarHBondContact O-N 3.07Å; L188-M190 VanDerWaalsContact C-N 3.35Å; L188-M190 PolarHBondContact O-N 2.71Å; M190-V193 PolarHBondContact O-N 2.91Å; M190-L194 HydrophobicContact CB-CD1 4.32Å; M190-L194 WeakPolarHBondContact O-CB 3.48Å; M190-L194 WeakPolarHBondContact O-CG 3.48Å; M190-L194 PolarHBondContact O-N 3.47Å; M190-L194 HydrophobicContact SD-CD1 3.82Å; M190-L194 HydrophobicContact SD-CG 4.33Å
191	E	98.9	Very high	98.8	Very high	110 Å²	110	60.7 Å²	60.7	51%	0.514	32%	0.319	S	S	.	.	H	α-helix	trans	-57.2	-55.9	176.6	-174.7	169.1	-162	0	0	110.5	S187 L188 V193 L194 T195	S187-E191 PolarHBondContact O-N 3.46Å; L188-E191 PolarHBondContact O-N 3.3Å; E191-V193 PolarHBondContact O-N 2.96Å; E191-L194 PolarHBondContact O-N 2.85Å; E191-T195 WeakPolarHBondContact O-CB 3.38Å; E191-T195 WeakPolarHBondContact O-CG2 3.46Å; E191-T195 PolarHBondContact O-N 3.24Å; E191-T195 PolarHBondContact O-OG1 3.2Å
192	M	98.9	Very high	98.8	Very high	2 Å²	2	63.7 Å²	63.7	1%	0.01	33%	0.33	C	S	.	.	H	α-helix	trans	-58.6	-43.2	179.9	-67.3	172.4	67.8	0	0	113.4	L180 L188 G196 I199	L180-M192 HydrophobicContact CD1-CE 4.06Å; L180-M192 HydrophobicContact CD1-SD 4.1Å; L180-M192 HydrophobicContact CD2-CB 4.25Å; L180-M192 HydrophobicContact CD2-CE 4.01Å; L180-M192 HydrophobicContact CD2-SD 4.04Å; L188-M192 HydrophobicContact CD1-CG 4.08Å; L188-M192 HydrophobicContact CD1-SD 4.15Å; L188-M192 HydrophobicContact CG-CG 4.42Å; L188-M192 HydrophobicContact CG-SD 3.95Å; L188-M192 VanDerWaalsContact O-CG 3.3Å; L188-M192 WeakPolarHBondContact O-CG 3.17Å; L188-M192 PolarHBondContact O-N 2.81Å; M192-G196 VanDerWaalsContact O-CA 3.23Å; M192-G196 WeakPolarHBondContact O-CA 3.3Å; M192-G196 PolarHBondContact O-N 2.95Å; M192-I199 HydrophobicContact CE-CD1 3.95Å; M192-I199 HydrophobicContact CE-CG1 3.87Å; M192-I199 HydrophobicContact CE-CG2 4.39Å; M192-I199 HydrophobicContact CG-CG2 4.17Å; M192-I199 HydrophobicContact SD-CD1 3.92Å; M192-I199 HydrophobicContact SD-CG1 4.23Å; M192-I199 HydrophobicContact SD-CG2 3.92Å
193	V	98.9	Very high	98.8	Very high	18 Å²	18	61.8 Å²	61.8	11%	0.109	33%	0.326	C	S	.	.	H	α-helix	trans	-77.2	-32.7	-175.4	172.2	0	0	0	0	112.3	Q163 I166 P172 T177 L180 A189 M190 E191	Q163-V193 HydrophobicContact CB-CG2 3.91Å; Q163-V193 HydrophobicContact CG-CG2 4.12Å; I166-V193 WeakPolarHBondContact CB-O 3.09Å; I166-V193 WeakPolarHBondContact CG2-O 3.48Å; P172-V193 HydrophobicContact CG-CG1 4.38Å; P172-V193 HydrophobicContact CG-CG2 4.39Å; T177-V193 HydrophobicContact CG2-CG1 4.32Å; L180-V193 HydrophobicContact CD2-CG2 4.22Å; A189-V193 VanDerWaalsContact O-CB 3.28Å; A189-V193 WeakPolarHBondContact O-CB 3.41Å; A189-V193 WeakPolarHBondContact O-CG2 3.47Å; A189-V193 PolarHBondContact O-N 3.09Å; M190-V193 PolarHBondContact O-N 2.91Å; E191-V193 PolarHBondContact O-N 2.96Å
194	L	98.9	Very high	98.8	Very high	108 Å²	108	60 Å²	60	57%	0.565	31%	0.312	S	S	*	.	H	α-helix	trans	-91	-25.9	-176.4	-61.9	176	0	0	0	113.1	M190 E191	M190-L194 HydrophobicContact CB-CD1 4.32Å; M190-L194 WeakPolarHBondContact O-CB 3.48Å; M190-L194 WeakPolarHBondContact O-CG 3.48Å; M190-L194 PolarHBondContact O-N 3.47Å; M190-L194 HydrophobicContact SD-CD1 3.82Å; M190-L194 HydrophobicContact SD-CG 4.33Å; E191-L194 PolarHBondContact O-N 2.85Å
195	T	98.8	Very high	98.8	Very high	60 Å²	60	63.6 Å²	63.6	37%	0.368	33%	0.326	S	S	.	.	H	α-helix	trans	-99.6	-25	176.6	73.6	0	0	0	0	112.8	E191 D197	E191-T195 WeakPolarHBondContact O-CB 3.38Å; E191-T195 WeakPolarHBondContact O-CG2 3.46Å; E191-T195 PolarHBondContact O-N 3.24Å; E191-T195 PolarHBondContact O-OG1 3.2Å; T195-D197 VanDerWaalsContact CB-OD2 3.32Å; T195-D197 WeakPolarHBondContact CB-OD2 3.32Å; T195-D197 VanDerWaalsContact OG1-CB 3.25Å; T195-D197 WeakPolarHBondContact OG1-CB 3.43Å; T195-D197 PolarHBondContact OG1-N 2.97Å; T195-D197 VanDerWaalsContact OG1-N 3.08Å; T195-D197 PolarHBondContact OG1-OD2 2.92Å
196	G	98.6	Very high	98.8	Very high	8 Å²	8	70.4 Å²	70.4	8%	0.082	35%	0.348	C	S	.	.			trans	75.8	9.5	-170.5	0	0	0	0	0	113.6	M192	M192-G196 VanDerWaalsContact O-CA 3.23Å; M192-G196 WeakPolarHBondContact O-CA 3.3Å; M192-G196 PolarHBondContact O-N 2.95Å
197	D	98.8	Very high	98.8	Very high	95 Å²	95	64.1 Å²	64.1	51%	0.508	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-65	152.3	179	-71.3	-40.1	0	0	0	112	T195	T195-D197 VanDerWaalsContact CB-OD2 3.32Å; T195-D197 WeakPolarHBondContact CB-OD2 3.32Å; T195-D197 VanDerWaalsContact OG1-CB 3.25Å; T195-D197 WeakPolarHBondContact OG1-CB 3.43Å; T195-D197 PolarHBondContact OG1-N 2.97Å; T195-D197 VanDerWaalsContact OG1-N 3.08Å; T195-D197 PolarHBondContact OG1-OD2 2.92Å
198	R	98.7	Very high	98.8	Very high	132 Å²	132	62 Å²	62	50%	0.498	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	143	-179.4	-63.3	170.8	-68.8	179.9	-5.1	109.9	L140 F161	L140-R198 HydrophobicContact CD2-CG 3.8Å; F161-R198 CarbonylContact O-C 3.47Å; F161-R198 WeakPolarHBondContact O-CA 2.95Å
199	I	98.9	Very high	98.8	Very high	11 Å²	11	60.6 Å²	60.6	6%	0.056	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	146	165.7	64.9	172.5	0	0	0	110.1	Q160 F161 L188 M192 E203 A204 L209	Q160-I199 WeakPolarHBondContact CA-O 3.44Å; F161-I199 HydrophobicContact CB-CG1 3.96Å; F161-I199 PolarHBondContact N-O 2.96Å; F161-I199 PolarHBondContact O-N 3.44Å; L188-I199 HydrophobicContact CD1-CG2 4.1Å; M192-I199 HydrophobicContact CE-CD1 3.95Å; M192-I199 HydrophobicContact CE-CG1 3.87Å; M192-I199 HydrophobicContact CE-CG2 4.39Å; M192-I199 HydrophobicContact CG-CG2 4.17Å; M192-I199 HydrophobicContact SD-CD1 3.92Å; M192-I199 HydrophobicContact SD-CG1 4.23Å; M192-I199 HydrophobicContact SD-CG2 3.92Å; I199-E203 VanDerWaalsContact CA-OE2 3.3Å; I199-E203 WeakPolarHBondContact CA-OE2 3.31Å; I199-E203 HydrophobicContact CB-CB 3.93Å; I199-E203 HydrophobicContact CG2-CB 4.48Å; I199-A204 HydrophobicContact CD1-CB 3.83Å; I199-A204 HydrophobicContact CG1-CB 4.34Å; I199-L209 HydrophobicContact CD1-CD2 4.11Å
200	N	98.9	Very high	98.8	Very high	64 Å²	64	60.7 Å²	60.7	34%	0.342	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	172.9	174.7	69.7	55.4	0	0	0	111.8	Q202 E203 A204	N200-Q202 VanDerWaalsContact C-N 3.29Å; N200-Q202 PolarHBondContact O-N 3.34Å; N200-Q202 WeakPolarHBondContact OD1-CA 3.44Å; N200-Q202 WeakPolarHBondContact OD1-CB 3.03Å; N200-Q202 PolarHBondContact OD1-N 2.91Å; N200-E203 VanDerWaalsContact CG-OE2 3.26Å; N200-E203 PolarHBondContact N-OE2 2.7Å; N200-E203 VanDerWaalsContact ND2-CD 3.26Å; N200-E203 PolarHBondContact ND2-OE2 3.21Å; N200-E203 PolarHBondContact O-N 2.99Å; N200-E203 PolarHBondContact OD1-N 2.95Å; N200-A204 WeakPolarHBondContact O-CB 3.48Å; N200-A204 PolarHBondContact O-N 2.93Å
201	A	98.8	Very high	98.8	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-56.6	-37.7	-178.6	0	0	0	0	0	113.8	A155 G156 A159 K205 I213	A155-A201 HydrophobicContact CB-CB 4.14Å; G156-A201 WeakPolarHBondContact O-CB 3.29Å; A159-A201 HydrophobicContact CB-CB 4.24Å; A159-A201 PolarHBondContact O-N 3.5Å; A159-A201 VanDerWaalsContact O-N 3.08Å; A201-K205 WeakPolarHBondContact O-CB 3.35Å; A201-K205 PolarHBondContact O-N 3.36Å; A201-I213 HydrophobicContact CB-CD1 4.09Å; A201-I213 HydrophobicContact CB-CG1 4.26Å; A201-I213 HydrophobicContact CB-CG2 4.34Å; A201-I213 VanDerWaalsContact O-CD1 3.23Å; A201-I213 WeakPolarHBondContact O-CD1 3.33Å
202	Q	98.8	Very high	98.8	Very high	115 Å²	115	57.1 Å²	57.1	54%	0.537	30%	0.296	S	S	.	.	H	α-helix	trans	-69.9	-45.8	-179.7	-64.5	-65.1	-23	0	0	111.5	N200 A204 K205 Q206 I213	N200-Q202 VanDerWaalsContact C-N 3.29Å; N200-Q202 PolarHBondContact O-N 3.34Å; N200-Q202 WeakPolarHBondContact OD1-CA 3.44Å; N200-Q202 WeakPolarHBondContact OD1-CB 3.03Å; N200-Q202 PolarHBondContact OD1-N 2.91Å; Q202-A204 VanDerWaalsContact C-N 3.31Å; Q202-A204 PolarHBondContact O-N 2.85Å; Q202-K205 PolarHBondContact O-N 3.33Å; Q202-K205 VanDerWaalsContact O-N 3.13Å; Q202-Q206 WeakPolarHBondContact O-CB 3.47Å; Q202-Q206 PolarHBondContact O-N 2.86Å; Q202-I213 HydrophobicContact CG-CD1 4.16Å; Q202-I213 VanDerWaalsContact NE2-CD1 3.32Å
203	E	98.8	Very high	98.8	Very high	85 Å²	85	58.7 Å²	58.7	40%	0.397	31%	0.305	S	S	.	.	H	α-helix	trans	-61.1	-42	174.5	-69.3	164.6	155.8	0	0	111	I199 N200 K205 Q206 S207	I199-E203 VanDerWaalsContact CA-OE2 3.3Å; I199-E203 WeakPolarHBondContact CA-OE2 3.31Å; I199-E203 HydrophobicContact CB-CB 3.93Å; I199-E203 HydrophobicContact CG2-CB 4.48Å; N200-E203 VanDerWaalsContact CG-OE2 3.26Å; N200-E203 PolarHBondContact N-OE2 2.7Å; N200-E203 VanDerWaalsContact ND2-CD 3.26Å; N200-E203 PolarHBondContact ND2-OE2 3.21Å; N200-E203 PolarHBondContact O-N 2.99Å; N200-E203 PolarHBondContact OD1-N 2.95Å; E203-K205 VanDerWaalsContact C-N 3.3Å; E203-K205 PolarHBondContact O-N 3.24Å; E203-Q206 PolarHBondContact O-N 3.45Å; E203-S207 VanDerWaalsContact O-CB 3.31Å; E203-S207 WeakPolarHBondContact O-CB 3.42Å; E203-S207 PolarHBondContact O-N 2.93Å; E203-S207 PolarHBondContact O-OG 3.13Å
204	A	98.9	Very high	98.8	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-61.8	-36.9	174.5	0	0	0	0	0	112.1	F161 I199 N200 Q202 S207 G208 L209 V210	F161-A204 HydrophobicContact CD2-CB 3.77Å; F161-A204 HydrophobicContact CE2-CB 4Å; I199-A204 HydrophobicContact CD1-CB 3.83Å; I199-A204 HydrophobicContact CG1-CB 4.34Å; N200-A204 WeakPolarHBondContact O-CB 3.48Å; N200-A204 PolarHBondContact O-N 2.93Å; Q202-A204 VanDerWaalsContact C-N 3.31Å; Q202-A204 PolarHBondContact O-N 2.85Å; A204-S207 WeakPolarHBondContact CA-OG 3.34Å; A204-S207 PolarHBondContact O-OG 2.95Å; A204-G208 PolarHBondContact O-N 3.33Å; A204-L209 HydrophobicContact CB-CB 4.2Å; A204-L209 HydrophobicContact CB-CD2 4.17Å; A204-L209 WeakPolarHBondContact O-CB 3.36Å; A204-L209 PolarHBondContact O-N 3.48Å; A204-V210 HydrophobicContact CB-CG1 4.05Å; A204-V210 HydrophobicContact CB-CG2 4.14Å; A204-V210 PolarHBondContact O-N 3.29Å
205	K	98.8	Very high	98.8	Very high	94 Å²	94	56.1 Å²	56.1	41%	0.409	29%	0.29	S	S	.	.	H	α-helix	trans	-71.9	-44	176.9	174.7	57.5	-174.8	162.8	0	111.6	A201 Q202 E203 S207 G208 V210 S211 I213	A201-K205 WeakPolarHBondContact O-CB 3.35Å; A201-K205 PolarHBondContact O-N 3.36Å; Q202-K205 PolarHBondContact O-N 3.33Å; Q202-K205 VanDerWaalsContact O-N 3.13Å; E203-K205 VanDerWaalsContact C-N 3.3Å; E203-K205 PolarHBondContact O-N 3.24Å; K205-S207 VanDerWaalsContact C-N 3.3Å; K205-S207 PolarHBondContact O-N 3.41Å; K205-G208 PolarHBondContact O-N 3.3Å; K205-V210 HydrophobicContact CB-CG2 3.75Å; K205-V210 HydrophobicContact CD-CG2 4.39Å; K205-V210 WeakPolarHBondContact CD-O 3.32Å; K205-S211 WeakPolarHBondContact CE-O 3.37Å; K205-S211 PolarHBondContact NZ-O 3.29Å; K205-I213 HydrophobicContact CB-CD1 3.66Å; K205-I213 HydrophobicContact CB-CG1 4.08Å; K205-I213 HydrophobicContact CG-CD1 4.18Å; K205-I213 HydrophobicContact CG-CG1 4.46Å
206	Q	98.8	Very high	98.7	Very high	175 Å²	175	54.5 Å²	54.5	82%	0.818	28%	0.28	S	S	*	.	H	α-helix	trans	-65	-36	-179.7	-176.1	176.6	4.8	0	0	112	Q202 E203 G208	Q202-Q206 WeakPolarHBondContact O-CB 3.47Å; Q202-Q206 PolarHBondContact O-N 2.86Å; E203-Q206 PolarHBondContact O-N 3.45Å; Q206-G208 VanDerWaalsContact C-N 3.33Å
207	S	98.5	Very high	98.6	Very high	28 Å²	28	60.4 Å²	60.4	20%	0.196	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-6.6	178.5	57.7	0	0	0	0	114.3	V184 E203 A204 K205	V184-S207 WeakPolarHBondContact CA-O 3.15Å; V184-S207 WeakPolarHBondContact CG1-OG 3.4Å; E203-S207 VanDerWaalsContact O-CB 3.31Å; E203-S207 WeakPolarHBondContact O-CB 3.42Å; E203-S207 PolarHBondContact O-N 2.93Å; E203-S207 PolarHBondContact O-OG 3.13Å; A204-S207 WeakPolarHBondContact CA-OG 3.34Å; A204-S207 PolarHBondContact O-OG 2.95Å; K205-S207 VanDerWaalsContact C-N 3.3Å; K205-S207 PolarHBondContact O-N 3.41Å
208	G	98.6	Very high	98.6	Very high	50 Å²	50	60 Å²	60	52%	0.515	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.9	3.3	177.5	0	0	0	0	0	115.4	A204 K205 Q206	A204-G208 PolarHBondContact O-N 3.33Å; K205-G208 PolarHBondContact O-N 3.3Å; Q206-G208 VanDerWaalsContact C-N 3.33Å
209	L	98.9	Very high	98.6	Very high	12 Å²	12	53.8 Å²	53.8	6%	0.063	28%	0.282	C	S	.	.	S	Bend	trans	-67.4	-37.7	176.7	-177.7	61.4	0	0	0	112.7	M148 F161 L180 A183 V184 I199 A204	M148-L209 HydrophobicContact CG-CD1 3.67Å; M148-L209 HydrophobicContact SD-CD1 3.66Å; F161-L209 HydrophobicContact CB-CD2 3.97Å; F161-L209 HydrophobicContact CD1-CD2 4.08Å; F161-L209 HydrophobicContact CG-CD2 3.94Å; L180-L209 HydrophobicContact CD1-CD1 4.28Å; L180-L209 HydrophobicContact CD1-CD2 4.29Å; A183-L209 HydrophobicContact CB-CD1 4.21Å; V184-L209 HydrophobicContact CG1-CB 3.85Å; I199-L209 HydrophobicContact CD1-CD2 4.11Å; A204-L209 HydrophobicContact CB-CB 4.2Å; A204-L209 HydrophobicContact CB-CD2 4.17Å; A204-L209 WeakPolarHBondContact O-CB 3.36Å; A204-L209 PolarHBondContact O-N 3.48Å
210	V	98.9	Very high	98.6	Very high	5 Å²	5	55.4 Å²	55.4	3%	0.03	29%	0.29	C	S	.	.			trans	-119.6	146.7	-179.6	-51.9	0	0	0	0	112.5	I153 A155 F161 A204 K205 I213	I153-V210 HydrophobicContact CB-CB 4.34Å; I153-V210 HydrophobicContact CB-CG1 4.08Å; I153-V210 HydrophobicContact CG2-CB 4.32Å; I153-V210 HydrophobicContact CG2-CG1 3.69Å; A155-V210 HydrophobicContact CB-CB 4.4Å; A155-V210 HydrophobicContact CB-CG1 4.25Å; A155-V210 HydrophobicContact CB-CG2 4.19Å; F161-V210 HydrophobicContact CE1-CG1 4.26Å; F161-V210 HydrophobicContact CE2-CG1 3.93Å; F161-V210 HydrophobicContact CZ-CG1 3.63Å; A204-V210 HydrophobicContact CB-CG1 4.05Å; A204-V210 HydrophobicContact CB-CG2 4.14Å; A204-V210 PolarHBondContact O-N 3.29Å; K205-V210 HydrophobicContact CB-CG2 3.75Å; K205-V210 HydrophobicContact CD-CG2 4.39Å; K205-V210 WeakPolarHBondContact CD-O 3.32Å; V210-I213 HydrophobicContact CG2-CG1 4.43Å
211	S	98.8	Very high	98.6	Very high	45 Å²	45	54.9 Å²	54.9	32%	0.315	29%	0.291	S	S	.	.	S	Bend	trans	-85.4	-33.6	-175.2	64.7	0	0	0	0	113	I152 I153 Y154 K205	I152-S211 VanDerWaalsContact CG2-OG 3.32Å; I152-S211 WeakPolarHBondContact CG2-OG 3.16Å; I153-S211 PolarHBondContact O-N 3.04Å; I153-S211 PolarHBondContact O-OG 3.36Å; Y154-S211 WeakPolarHBondContact CD1-OG 3.31Å; Y154-S211 WeakPolarHBondContact CE1-OG 3.35Å; K205-S211 WeakPolarHBondContact CE-O 3.37Å; K205-S211 PolarHBondContact NZ-O 3.29Å
212	K	98.8	Very high	98.6	Very high	92 Å²	92	56.6 Å²	56.6	40%	0.4	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	159.2	175	-64.5	-172	-175.3	169.7	0	112.4	Y154 A155 Y214	Y154-K212 HydrophobicContact CD1-CB 3.7Å; Y154-K212 HydrophobicContact CD1-CG 4.21Å; Y154-K212 HydrophobicContact CE1-CB 3.67Å; Y154-K212 HydrophobicContact CE1-CD 3.75Å; Y154-K212 HydrophobicContact CE1-CG 3.66Å; Y154-K212 HydrophobicContact CG-CB 4.4Å; Y154-K212 PolarHBondContact OH-NZ 3.27Å; A155-K212 PolarHBondContact N-O 3.48Å; K212-Y214 HydrophobicContact CB-CD2 4.25Å; K212-Y214 HydrophobicContact CB-CE2 3.64Å; K212-Y214 HydrophobicContact CD-CE2 3.92Å; K212-Y214 WeakPolarHBondContact CD-OH 3.44Å; K212-Y214 HydrophobicContact CG-CE2 4.44Å
213	I	98.9	Very high	98.6	Very high	36 Å²	36	51.1 Å²	51.1	19%	0.185	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	139.8	172.8	-56.5	169.9	0	0	0	108.6	A155 E157 A201 Q202 K205 V210	A155-I213 CarbonylContact O-C 3.58Å; A155-I213 VanDerWaalsContact O-CA 3.23Å; A155-I213 WeakPolarHBondContact O-CA 3.49Å; E157-I213 HydrophobicContact CB-CG2 4.42Å; E157-I213 HydrophobicContact CG-CG2 3.8Å; A201-I213 HydrophobicContact CB-CD1 4.09Å; A201-I213 HydrophobicContact CB-CG1 4.26Å; A201-I213 HydrophobicContact CB-CG2 4.34Å; A201-I213 VanDerWaalsContact O-CD1 3.23Å; A201-I213 WeakPolarHBondContact O-CD1 3.33Å; Q202-I213 HydrophobicContact CG-CD1 4.16Å; Q202-I213 VanDerWaalsContact NE2-CD1 3.32Å; K205-I213 HydrophobicContact CB-CD1 3.66Å; K205-I213 HydrophobicContact CB-CG1 4.08Å; K205-I213 HydrophobicContact CG-CD1 4.18Å; K205-I213 HydrophobicContact CG-CG1 4.46Å; V210-I213 HydrophobicContact CG2-CG1 4.43Å
214	Y	98.8	Very high	98.6	Very high	34 Å²	34	47.7 Å²	47.7	13%	0.133	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	157.1	177	-69.4	-79.6	0	0	0	111.4	Y154 A155 G156 E157 K212 L219 E222	Y154-Y214 HydrophobicContact CD1-CE2 4.38Å; Y154-Y214 HydrophobicContact CD2-CD2 4.12Å; Y154-Y214 AromaticContact CD2-CE2 3.56Å; Y154-Y214 HydrophobicContact CD2-CE2 3.56Å; Y154-Y214 HydrophobicContact CE1-CE2 4.47Å; Y154-Y214 AromaticContact CE2-CE2 3.66Å; Y154-Y214 HydrophobicContact CE2-CE2 3.66Å; Y154-Y214 HydrophobicContact CG-CD2 4.32Å; Y154-Y214 AromaticContact CG-CE2 3.95Å; Y154-Y214 HydrophobicContact CG-CE2 3.95Å; A155-Y214 PolarHBondContact O-N 3.44Å; G156-Y214 CarbonylContact C-O 3.48Å; G156-Y214 VanDerWaalsContact CA-O 3.29Å; G156-Y214 WeakPolarHBondContact CA-O 3.22Å; E157-Y214 PolarHBondContact N-O 2.63Å; K212-Y214 HydrophobicContact CB-CD2 4.25Å; K212-Y214 HydrophobicContact CB-CE2 3.64Å; K212-Y214 HydrophobicContact CD-CE2 3.92Å; K212-Y214 WeakPolarHBondContact CD-OH 3.44Å; K212-Y214 HydrophobicContact CG-CE2 4.44Å; Y214-L219 HydrophobicContact CD2-CD1 4.38Å; Y214-E222 HydrophobicContact CD1-CB 3.99Å; Y214-E222 HydrophobicContact CD1-CG 3.61Å; Y214-E222 HydrophobicContact CD2-CB 4.02Å; Y214-E222 HydrophobicContact CE1-CB 3.77Å; Y214-E222 HydrophobicContact CE1-CG 3.48Å; Y214-E222 VanDerWaalsContact CE1-CG 3.48Å; Y214-E222 WeakPolarHBondContact CE1-OE2 3.29Å; Y214-E222 HydrophobicContact CE2-CB 3.84Å; Y214-E222 HydrophobicContact CE2-CG 4.47Å; Y214-E222 HydrophobicContact CG-CB 4.07Å; Y214-E222 HydrophobicContact CG-CG 4.12Å; Y214-E222 PolarHBondContact OH-OE2 2.96Å
215	P	98.6	Very high	98.6	Very high	37 Å²	37	52.2 Å²	52.2	24%	0.24	28%	0.278	C	S	.	.			trans	-51.1	143	164.4	-27.2	36.5	0	0	0	111.2	D217 Q218 L219	P215-D217 VanDerWaalsContact CB-OD1 3.28Å; P215-D217 WeakPolarHBondContact CB-OD1 3.46Å; P215-D217 PolarHBondContact O-N 3.43Å; P215-Q218 HydrophobicContact CB-CB 4.3Å; P215-Q218 HydrophobicContact CB-CG 4.23Å; P215-Q218 PolarHBondContact O-N 2.98Å; P215-L219 PolarHBondContact O-N 3.34Å
216	V	97.4	Very high	98.6	Very high	26 Å²	26	48.6 Å²	48.6	16%	0.158	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-40.4	-172.5	169.9	0	0	0	0	112.5	E92 N136 K158	E92-V216 HydrophobicContact CG-CG1 3.57Å; N136-V216 PolarHBondContact ND2-O 2.97Å; N136-V216 VanDerWaalsContact ND2-O 3.13Å; K158-V216 HydrophobicContact CB-CG2 4.16Å; K158-V216 HydrophobicContact CD-CG2 4.13Å; K158-V216 HydrophobicContact CG-CG2 3.99Å
217	D	97.3	Very high	98.6	Very high	133 Å²	133	40.2 Å²	40.2	71%	0.711	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-20.4	-179.7	63.5	-29.9	0	0	0	113.5	P215	P215-D217 VanDerWaalsContact CB-OD1 3.28Å; P215-D217 WeakPolarHBondContact CB-OD1 3.46Å; P215-D217 PolarHBondContact O-N 3.43Å
218	Q	98.4	Very high	98.6	Very high	87 Å²	87	40.7 Å²	40.7	41%	0.407	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-24.8	179.9	-65.9	179.9	26.8	0	0	113.1	P215 I220 S221 E222	P215-Q218 HydrophobicContact CB-CB 4.3Å; P215-Q218 HydrophobicContact CB-CG 4.23Å; P215-Q218 PolarHBondContact O-N 2.98Å; Q218-I220 VanDerWaalsContact C-N 3.32Å; Q218-I220 PolarHBondContact O-N 3.43Å; Q218-I220 VanDerWaalsContact O-N 3.15Å; Q218-S221 PolarHBondContact O-N 3.02Å; Q218-S221 PolarHBondContact O-OG 3.33Å; Q218-E222 HydrophobicContact CB-CG 4.46Å; Q218-E222 PolarHBondContact O-N 3.21Å
219	L	98.8	Very high	98.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-45.2	-51.5	-172.5	176.9	63.6	0	0	0	113.6	A134 V135 N136 Y214 P215 E222 A223	A134-L219 HydrophobicContact CB-CD2 4.34Å; A134-L219 HydrophobicContact CB-CG 4.16Å; V135-L219 VanDerWaalsContact C-CD2 3.47Å; V135-L219 WeakPolarHBondContact O-CD2 3.42Å; N136-L219 HydrophobicContact CB-CD2 4.09Å; N136-L219 VanDerWaalsContact CG-CD2 3.42Å; N136-L219 WeakPolarHBondContact ND2-CD2 3.23Å; Y214-L219 HydrophobicContact CD2-CD1 4.38Å; P215-L219 PolarHBondContact O-N 3.34Å; L219-E222 PolarHBondContact O-N 3.5Å; L219-A223 WeakPolarHBondContact O-CB 3.36Å; L219-A223 PolarHBondContact O-N 3.42Å
220	I	98.6	Very high	98.6	Very high	45 Å²	45	46 Å²	46	23%	0.231	23%	0.234	C	C	.	.	H	α-helix	trans	-64.5	-45	-176.5	-68.3	176.2	0	0	0	110.8	F50 Q218 E222 A223 V224	F50-I220 HydrophobicContact CE2-CG2 3.79Å; F50-I220 HydrophobicContact CZ-CG2 4.04Å; Q218-I220 VanDerWaalsContact C-N 3.32Å; Q218-I220 PolarHBondContact O-N 3.43Å; Q218-I220 VanDerWaalsContact O-N 3.15Å; I220-E222 VanDerWaalsContact C-N 3.3Å; I220-E222 PolarHBondContact O-N 2.89Å; I220-A223 PolarHBondContact O-N 3.29Å; I220-V224 WeakPolarHBondContact O-CG2 3.39Å; I220-V224 PolarHBondContact O-N 3.07Å
221	S	98.5	Very high	98.6	Very high	53 Å²	53	46.3 Å²	46.3	37%	0.371	24%	0.237	S	C	.	.	H	α-helix	trans	-64.3	-37.9	179.9	70.1	0	0	0	0	111.8	Q218 V224 K225	Q218-S221 PolarHBondContact O-N 3.02Å; Q218-S221 PolarHBondContact O-OG 3.33Å; S221-V224 PolarHBondContact O-N 3.11Å; S221-K225 WeakPolarHBondContact O-CB 2.81Å; S221-K225 VanDerWaalsContact O-CG 3.27Å; S221-K225 WeakPolarHBondContact O-CG 3.24Å; S221-K225 PolarHBondContact O-N 2.89Å
222	E	98.8	Very high	98.5	Very high	37 Å²	37	47.3 Å²	47.3	17%	0.173	25%	0.248	C	C	.	.	H	α-helix	trans	-71.9	-35.7	177.9	-70	-64.5	130.1	0	0	112.6	Y214 Q218 L219 I220 K225 C226	Y214-E222 HydrophobicContact CD1-CB 3.99Å; Y214-E222 HydrophobicContact CD1-CG 3.61Å; Y214-E222 HydrophobicContact CD2-CB 4.02Å; Y214-E222 HydrophobicContact CE1-CB 3.77Å; Y214-E222 HydrophobicContact CE1-CG 3.48Å; Y214-E222 VanDerWaalsContact CE1-CG 3.48Å; Y214-E222 WeakPolarHBondContact CE1-OE2 3.29Å; Y214-E222 HydrophobicContact CE2-CB 3.84Å; Y214-E222 HydrophobicContact CE2-CG 4.47Å; Y214-E222 HydrophobicContact CG-CB 4.07Å; Y214-E222 HydrophobicContact CG-CG 4.12Å; Y214-E222 PolarHBondContact OH-OE2 2.96Å; Q218-E222 HydrophobicContact CB-CG 4.46Å; Q218-E222 PolarHBondContact O-N 3.21Å; L219-E222 PolarHBondContact O-N 3.5Å; I220-E222 VanDerWaalsContact C-N 3.3Å; I220-E222 PolarHBondContact O-N 2.89Å; E222-K225 WeakPolarHBondContact OE1-CD 3.37Å; E222-K225 IonicContact OE1-NZ 2.69Å; E222-K225 PolarHBondContact OE1-NZ 3.46Å; E222-C226 WeakPolarHBondContact O-CB 3.39Å; E222-C226 PolarHBondContact O-N 3.44Å
223	A	98.9	Very high	98.5	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-64.3	-44.5	171.7	0	0	0	0	0	111.6	V87 I132 A134 Y154 L219 I220 C226 G227	V87-A223 HydrophobicContact CG1-CB 4.06Å; V87-A223 HydrophobicContact CG2-CB 4.32Å; I132-A223 HydrophobicContact CG2-CB 4.18Å; A134-A223 HydrophobicContact CB-CB 3.78Å; Y154-A223 HydrophobicContact CD2-CB 4.25Å; L219-A223 WeakPolarHBondContact O-CB 3.36Å; L219-A223 PolarHBondContact O-N 3.42Å; I220-A223 PolarHBondContact O-N 3.29Å; A223-C226 WeakPolarHBondContact O-CB 3.44Å; A223-C226 PolarHBondContact O-N 3.45Å; A223-G227 PolarHBondContact O-N 2.91Å
224	V	98.9	Very high	98.5	Very high	13 Å²	13	45.4 Å²	45.4	8%	0.079	24%	0.243	C	C	.	.	H	α-helix	trans	-62	-47.2	175.2	172.3	0	0	0	0	110.8	R42 F50 I220 S221 C226 G227 E228	R42-V224 HydrophobicContact CB-CG1 4.02Å; R42-V224 HydrophobicContact CB-CG2 4.18Å; F50-V224 HydrophobicContact CD2-CG2 4.26Å; I220-V224 WeakPolarHBondContact O-CG2 3.39Å; I220-V224 PolarHBondContact O-N 3.07Å; S221-V224 PolarHBondContact O-N 3.11Å; V224-C226 PolarHBondContact O-N 2.86Å; V224-G227 CarbonylContact O-C 3.36Å; V224-G227 WeakPolarHBondContact O-CA 3.45Å; V224-G227 PolarHBondContact O-N 2.85Å; V224-E228 HydrophobicContact CG1-CG 4.38Å; V224-E228 WeakPolarHBondContact O-CG 3.45Å; V224-E228 PolarHBondContact O-N 3.22Å
225	K	98.9	Very high	98.4	Very high	94 Å²	94	46.3 Å²	46.3	41%	0.409	25%	0.247	S	C	.	.	H	α-helix	trans	-57.3	-36.5	175	-74	172.5	-167.7	170.4	0	112.6	S221 E222 E228 K229	S221-K225 WeakPolarHBondContact O-CB 2.81Å; S221-K225 VanDerWaalsContact O-CG 3.27Å; S221-K225 WeakPolarHBondContact O-CG 3.24Å; S221-K225 PolarHBondContact O-N 2.89Å; E222-K225 WeakPolarHBondContact OE1-CD 3.37Å; E222-K225 IonicContact OE1-NZ 2.69Å; E222-K225 PolarHBondContact OE1-NZ 3.46Å; K225-E228 WeakPolarHBondContact CA-OE2 3.27Å; K225-E228 PolarHBondContact O-N 3.21Å; K225-K229 WeakPolarHBondContact O-CG 3.23Å; K225-K229 PolarHBondContact O-N 3.29Å; K225-K229 VanDerWaalsContact O-N 3.12Å
226	C	98.9	Very high	98.4	Very high	18 Å²	18	47.7 Å²	47.7	12%	0.122	25%	0.252	C	S	.	.	H	α-helix	trans	-66.8	-43.7	174.1	-167.5	0	0	0	0	111.4	I132 Y154 E222 A223 V224 E228 K229 I230	I132-C226 HydrophobicContact CD1-CB 3.96Å; Y154-C226 HydrophobicContact CE2-CB 3.75Å; Y154-C226 PolarHBondContact OH-SG 3.39Å; Y154-C226 VanDerWaalsContact OH-SG 3.37Å; E222-C226 WeakPolarHBondContact O-CB 3.39Å; E222-C226 PolarHBondContact O-N 3.44Å; A223-C226 WeakPolarHBondContact O-CB 3.44Å; A223-C226 PolarHBondContact O-N 3.45Å; V224-C226 PolarHBondContact O-N 2.86Å; C226-E228 VanDerWaalsContact C-N 3.31Å; C226-E228 PolarHBondContact O-N 2.86Å; C226-K229 PolarHBondContact O-N 3.31Å; C226-I230 WeakPolarHBondContact O-CG1 3.37Å; C226-I230 PolarHBondContact O-N 2.92Å; C226-I230 VanDerWaalsContact O-N 3.1Å
227	G	98.8	Very high	98.4	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58	-42.1	173	0	0	0	0	0	112.4	V48 A223 V224 K229 I230 A231	V48-G227 VanDerWaalsContact CG2-C 3.48Å; A223-G227 PolarHBondContact O-N 2.91Å; V224-G227 CarbonylContact O-C 3.36Å; V224-G227 WeakPolarHBondContact O-CA 3.45Å; V224-G227 PolarHBondContact O-N 2.85Å; G227-K229 PolarHBondContact O-N 3Å; G227-I230 PolarHBondContact O-N 2.81Å; G227-A231 VanDerWaalsContact O-CB 3.25Å; G227-A231 WeakPolarHBondContact O-CB 3.42Å; G227-A231 PolarHBondContact O-N 2.85Å
228	E	98.7	Very high	98.5	Very high	37 Å²	37	43.3 Å²	43.3	17%	0.173	23%	0.231	C	C	.	.	H	α-helix	trans	-64.2	-39.5	177.8	-70.5	-179.4	106.6	0	0	112.5	G43 D44 V48 V224 K225 C226 I230 A231 A232	G43-E228 VanDerWaalsContact CA-CD 3.49Å; G43-E228 WeakPolarHBondContact CA-OE1 3.47Å; D44-E228 PolarHBondContact N-OE1 3.07Å; V48-E228 HydrophobicContact CG2-CB 4.46Å; V48-E228 HydrophobicContact CG2-CG 3.77Å; V224-E228 HydrophobicContact CG1-CG 4.38Å; V224-E228 WeakPolarHBondContact O-CG 3.45Å; V224-E228 PolarHBondContact O-N 3.22Å; K225-E228 WeakPolarHBondContact CA-OE2 3.27Å; K225-E228 PolarHBondContact O-N 3.21Å; C226-E228 VanDerWaalsContact C-N 3.31Å; C226-E228 PolarHBondContact O-N 2.86Å; E228-I230 VanDerWaalsContact C-N 3.33Å; E228-A231 PolarHBondContact O-N 2.85Å; E228-A232 WeakPolarHBondContact O-CB 3.27Å; E228-A232 PolarHBondContact O-N 2.95Å
229	K	98.7	Very high	98.5	Very high	148 Å²	148	40.2 Å²	40.2	64%	0.643	22%	0.221	S	C	*	.	H	α-helix	trans	-62.4	-42.4	174.6	-73.3	172.6	-177.5	178.2	0	111.4	K225 C226 G227 A232 N233	K225-K229 WeakPolarHBondContact O-CG 3.23Å; K225-K229 PolarHBondContact O-N 3.29Å; K225-K229 VanDerWaalsContact O-N 3.12Å; C226-K229 PolarHBondContact O-N 3.31Å; G227-K229 PolarHBondContact O-N 3Å; K229-A232 PolarHBondContact O-N 3.39Å; K229-N233 PolarHBondContact O-ND2 3.32Å
230	I	98.8	Very high	98.5	Very high	27 Å²	27	41.9 Å²	41.9	14%	0.138	23%	0.229	C	C	.	.	H	α-helix	trans	-65.1	-48.3	175.7	-66.8	171.6	0	0	0	109.9	A85 P130 I132 I152 C226 G227 E228 A232 N233	A85-I230 HydrophobicContact CB-CB 4.14Å; A85-I230 HydrophobicContact CB-CG2 3.98Å; P130-I230 HydrophobicContact CB-CD1 4.15Å; P130-I230 HydrophobicContact CB-CG2 3.97Å; P130-I230 HydrophobicContact CG-CG2 3.68Å; I132-I230 HydrophobicContact CD1-CD1 4.14Å; I152-I230 HydrophobicContact CD1-CD1 4.02Å; C226-I230 WeakPolarHBondContact O-CG1 3.37Å; C226-I230 PolarHBondContact O-N 2.92Å; C226-I230 VanDerWaalsContact O-N 3.1Å; G227-I230 PolarHBondContact O-N 2.81Å; E228-I230 VanDerWaalsContact C-N 3.33Å; I230-A232 PolarHBondContact O-N 2.81Å; I230-N233 WeakPolarHBondContact O-CB 3.41Å; I230-N233 PolarHBondContact O-N 2.99Å
231	A	98.2	Very high	98.5	Very high	11 Å²	11	42.1 Å²	42.1	9%	0.091	24%	0.238	C	C	.	.	H	α-helix	trans	-69.4	-10	-178.3	0	0	0	0	0	114.4	N47 G227 E228	N47-A231 HydrophobicContact CB-CB 4.15Å; N47-A231 WeakPolarHBondContact ND2-CB 3.5Å; N47-A231 WeakPolarHBondContact O-CB 3.46Å; G227-A231 VanDerWaalsContact O-CB 3.25Å; G227-A231 WeakPolarHBondContact O-CB 3.42Å; G227-A231 PolarHBondContact O-N 2.85Å; E228-A231 PolarHBondContact O-N 2.85Å
232	A	97.6	Very high	98.5	Very high	65 Å²	65	40.6 Å²	40.6	54%	0.537	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-11.9	171.5	0	0	0	0	0	113.3	E228 K229 I230	E228-A232 WeakPolarHBondContact O-CB 3.27Å; E228-A232 PolarHBondContact O-N 2.95Å; K229-A232 PolarHBondContact O-N 3.39Å; I230-A232 PolarHBondContact O-N 2.81Å
233	N	98.4	Very high	98.5	Very high	85 Å²	85	43.9 Å²	43.9	46%	0.455	24%	0.239	S	C	.	.	S	Bend	trans	-86.2	170.3	171.6	-58.6	-45.2	0	0	0	110.6	K229 I230 K235	K229-N233 PolarHBondContact O-ND2 3.32Å; I230-N233 WeakPolarHBondContact O-CB 3.41Å; I230-N233 PolarHBondContact O-N 2.99Å; N233-K235 PolarHBondContact O-N 3.45Å
234	S	98.4	Very high	98.5	Very high	4 Å²	4	45 Å²	45	3%	0.028	25%	0.249	C	C	.	.			trans	-56.2	122.7	167.5	174.1	0	0	0	0	110.6	V237 S238 D272	S234-V237 PolarHBondContact O-N 3.02Å; S234-V237 WeakPolarHBondContact OG-CG2 3.45Å; S234-V237 PolarHBondContact OG-N 3.43Å; S234-S238 WeakPolarHBondContact O-CB 3.32Å; S234-S238 PolarHBondContact O-N 2.87Å; S234-S238 PolarHBondContact O-OG 3Å; S234-D272 WeakPolarHBondContact CB-OD2 3.47Å; S234-D272 PolarHBondContact OG-OD2 3.08Å
235	K	98	Very high	98.5	Very high	53 Å²	53	49 Å²	49	23%	0.23	27%	0.273	C	S	.	.	H	α-helix	trans	-66.9	-39	179.8	-61.3	-178.3	-169.8	109	0	111	K81 N233 S238 A239 D290	K81-K235 WeakPolarHBondContact O-CE 3.41Å; K81-K235 PolarHBondContact O-NZ 3.47Å; N233-K235 PolarHBondContact O-N 3.45Å; K235-S238 PolarHBondContact O-N 2.82Å; K235-A239 PolarHBondContact O-N 2.71Å; K235-D290 WeakPolarHBondContact CB-OD1 3.29Å; K235-D290 WeakPolarHBondContact CD-OD2 3.43Å; K235-D290 WeakPolarHBondContact CE-OD2 3.46Å; K235-D290 WeakPolarHBondContact CG-OD1 3.2Å; K235-D290 PolarHBondContact N-OD1 2.84Å; K235-D290 IonicContact NZ-OD2 3.95Å; K235-D290 PolarHBondContact NZ-OD2 3.37Å
236	L	97.3	Very high	98.5	Very high	65 Å²	65	47.5 Å²	47.5	34%	0.34	27%	0.27	S	S	.	.	H	α-helix	trans	-62.1	-49	176.2	178.9	59.9	0	0	0	111	S238 A239 M240 T270	L236-S238 VanDerWaalsContact C-N 3.33Å; L236-S238 PolarHBondContact O-N 3.15Å; L236-A239 PolarHBondContact O-N 3.08Å; L236-M240 HydrophobicContact CD1-CE 3.95Å; L236-M240 HydrophobicContact CD2-CE 4.38Å; L236-M240 HydrophobicContact CG-CE 3.98Å; L236-M240 WeakPolarHBondContact O-CG 3.25Å; L236-M240 PolarHBondContact O-N 3.36Å; L236-M240 VanDerWaalsContact O-N 3.1Å; L236-T270 HydrophobicContact CD2-CG2 3.64Å
237	V	98.5	Very high	98.5	Very high	49 Å²	49	47.2 Å²	47.2	30%	0.297	27%	0.269	S	S	.	.	H	α-helix	trans	-67.6	-35.1	178.7	179.6	0	0	0	0	111.3	S234 A239 M240 A241	S234-V237 PolarHBondContact O-N 3.02Å; S234-V237 WeakPolarHBondContact OG-CG2 3.45Å; S234-V237 PolarHBondContact OG-N 3.43Å; V237-A239 VanDerWaalsContact C-N 3.34Å; V237-A239 PolarHBondContact O-N 2.86Å; V237-M240 PolarHBondContact O-N 3.02Å; V237-A241 WeakPolarHBondContact O-CB 3.3Å; V237-A241 PolarHBondContact O-N 2.72Å
238	S	98.6	Very high	98.5	Very high	19 Å²	19	50.7 Å²	50.7	13%	0.133	30%	0.297	C	S	.	.	H	α-helix	trans	-63.2	-38.9	175.2	-60.5	0	0	0	0	112.2	S234 K235 L236 A241 K242	S234-S238 WeakPolarHBondContact O-CB 3.32Å; S234-S238 PolarHBondContact O-N 2.87Å; S234-S238 PolarHBondContact O-OG 3Å; K235-S238 PolarHBondContact O-N 2.82Å; L236-S238 VanDerWaalsContact C-N 3.33Å; L236-S238 PolarHBondContact O-N 3.15Å; S238-A241 PolarHBondContact O-N 3Å; S238-K242 PolarHBondContact O-N 2.76Å
239	A	98.6	Very high	98.5	Very high	22 Å²	22	55 Å²	55	18%	0.182	31%	0.313	C	S	.	.	H	α-helix	trans	-65.4	-43.9	173.9	0	0	0	0	0	111.8	R128 K235 L236 V237 A241 K242 E243	R128-A239 HydrophobicContact CB-CB 4.32Å; K235-A239 PolarHBondContact O-N 2.71Å; L236-A239 PolarHBondContact O-N 3.08Å; V237-A239 VanDerWaalsContact C-N 3.34Å; V237-A239 PolarHBondContact O-N 2.86Å; A239-A241 VanDerWaalsContact C-N 3.32Å; A239-A241 PolarHBondContact O-N 2.93Å; A239-K242 PolarHBondContact O-N 2.91Å; A239-E243 WeakPolarHBondContact O-CB 3.23Å; A239-E243 PolarHBondContact O-N 3.32Å
240	M	98.7	Very high	98.5	Very high	34 Å²	34	55.3 Å²	55.3	17%	0.167	32%	0.317	C	S	.	.	H	α-helix	trans	-61.8	-39.2	174.7	-67	177.4	179.6	0	0	112.1	L236 V237 E243 A244 L263 T267	L236-M240 HydrophobicContact CD1-CE 3.95Å; L236-M240 HydrophobicContact CD2-CE 4.38Å; L236-M240 HydrophobicContact CG-CE 3.98Å; L236-M240 WeakPolarHBondContact O-CG 3.25Å; L236-M240 PolarHBondContact O-N 3.36Å; L236-M240 VanDerWaalsContact O-N 3.1Å; V237-M240 PolarHBondContact O-N 3.02Å; M240-E243 PolarHBondContact O-N 2.91Å; M240-A244 WeakPolarHBondContact O-CB 3.28Å; M240-A244 PolarHBondContact O-N 3Å; M240-L263 HydrophobicContact CG-CD2 4.49Å; M240-T267 HydrophobicContact SD-CG2 3.88Å
241	A	98.9	Very high	98.4	Very high	51 Å²	51	57.6 Å²	57.6	42%	0.421	33%	0.329	S	S	.	.	H	α-helix	trans	-65.3	-44.4	177.1	0	0	0	0	0	111.7	V237 S238 A239 E243 A244 V245	V237-A241 WeakPolarHBondContact O-CB 3.3Å; V237-A241 PolarHBondContact O-N 2.72Å; S238-A241 PolarHBondContact O-N 3Å; A239-A241 VanDerWaalsContact C-N 3.32Å; A239-A241 PolarHBondContact O-N 2.93Å; A241-E243 VanDerWaalsContact C-N 3.34Å; A241-E243 PolarHBondContact O-N 3.27Å; A241-A244 PolarHBondContact O-N 3.02Å; A241-V245 WeakPolarHBondContact O-CG2 3.38Å; A241-V245 PolarHBondContact O-N 3.08Å
242	K	98.8	Very high	98.5	Very high	20 Å²	20	61.5 Å²	61.5	9%	0.087	35%	0.352	C	S	.	.	H	α-helix	trans	-58.7	-45.5	173.1	171.4	172.3	170.8	157.4	0	111.5	V127 K129 D151 S238 A239 A244 V245 N246	V127-K242 WeakPolarHBondContact O-CE 3.23Å; V127-K242 PolarHBondContact O-NZ 3.13Å; K129-K242 PolarHBondContact O-NZ 2.79Å; D151-K242 VanDerWaalsContact CG-NZ 3.3Å; D151-K242 WeakPolarHBondContact OD1-CD 3.22Å; D151-K242 WeakPolarHBondContact OD1-CE 3.36Å; D151-K242 IonicContact OD1-NZ 3.81Å; D151-K242 PolarHBondContact OD1-NZ 3.04Å; D151-K242 VanDerWaalsContact OD1-NZ 3.08Å; D151-K242 WeakPolarHBondContact OD2-CE 3.45Å; D151-K242 IonicContact OD2-NZ 2.66Å; D151-K242 PolarHBondContact OD2-NZ 3.03Å; S238-K242 PolarHBondContact O-N 2.76Å; A239-K242 PolarHBondContact O-N 2.91Å; K242-A244 PolarHBondContact O-N 3.05Å; K242-V245 PolarHBondContact O-N 3.38Å; K242-N246 PolarHBondContact O-N 2.91Å; K242-N246 PolarHBondContact O-ND2 3.5Å
243	E	98.8	Very high	98.5	Very high	106 Å²	106	65 Å²	65	50%	0.495	36%	0.36	S	S	.	.	H	α-helix	trans	-58.7	-46.9	177.1	-174.1	-179.6	153.8	0	0	111.8	A239 M240 A241 V245 N246 A247 L263	A239-E243 WeakPolarHBondContact O-CB 3.23Å; A239-E243 PolarHBondContact O-N 3.32Å; M240-E243 PolarHBondContact O-N 2.91Å; A241-E243 VanDerWaalsContact C-N 3.34Å; A241-E243 PolarHBondContact O-N 3.27Å; E243-V245 PolarHBondContact O-N 2.93Å; E243-N246 PolarHBondContact O-N 2.86Å; E243-A247 PolarHBondContact O-N 2.8Å; E243-L263 HydrophobicContact CB-CD1 4.49Å; E243-L263 HydrophobicContact CG-CD1 4.37Å
244	A	98.8	Very high	98.5	Very high	24 Å²	24	64.1 Å²	64.1	20%	0.198	37%	0.365	C	S	.	.	H	α-helix	trans	-61.8	-42.8	178.6	0	0	0	0	0	112.7	M240 A241 K242 A247 L263	M240-A244 WeakPolarHBondContact O-CB 3.28Å; M240-A244 PolarHBondContact O-N 3Å; A241-A244 PolarHBondContact O-N 3.02Å; K242-A244 PolarHBondContact O-N 3.05Å; A244-A247 PolarHBondContact O-N 3.23Å; A244-L263 HydrophobicContact CB-CD1 3.89Å
245	V	98.9	Very high	98.6	Very high	96 Å²	96	68.5 Å²	68.5	58%	0.582	39%	0.385	S	S	*	.	H	α-helix	trans	-65.2	-44.6	177.8	171.9	0	0	0	0	111.1	A241 K242 E243 A247 A248	A241-V245 WeakPolarHBondContact O-CG2 3.38Å; A241-V245 PolarHBondContact O-N 3.08Å; K242-V245 PolarHBondContact O-N 3.38Å; E243-V245 PolarHBondContact O-N 2.93Å; V245-A247 VanDerWaalsContact C-N 3.27Å; V245-A247 PolarHBondContact O-N 3.36Å; V245-A248 VanDerWaalsContact O-CB 3.26Å; V245-A248 WeakPolarHBondContact O-CB 3.44Å; V245-A248 PolarHBondContact O-N 3.26Å
246	N	98.8	Very high	98.6	Very high	64 Å²	64	66.6 Å²	66.6	34%	0.342	38%	0.381	S	S	.	.	H	α-helix	trans	-64.7	-32.6	179.9	-76.4	-24.7	0	0	0	112.4	K242 E243 A248 Y249	K242-N246 PolarHBondContact O-N 2.91Å; K242-N246 PolarHBondContact O-ND2 3.5Å; E243-N246 PolarHBondContact O-N 2.86Å; N246-A248 PolarHBondContact O-N 3.48Å; N246-A248 VanDerWaalsContact O-N 3.14Å; N246-Y249 PolarHBondContact O-N 2.78Å; N246-Y249 VanDerWaalsContact O-N 3.15Å
247	A	98.7	Very high	98.7	Very high	12 Å²	12	67.4 Å²	67.4	10%	0.099	39%	0.385	C	S	.	.	H	α-helix	trans	-62	-20.7	177.1	0	0	0	0	0	114	E243 A244 V245 Y249 E250 L251 L259	E243-A247 PolarHBondContact O-N 2.8Å; A244-A247 PolarHBondContact O-N 3.23Å; V245-A247 VanDerWaalsContact C-N 3.27Å; V245-A247 PolarHBondContact O-N 3.36Å; A247-Y249 PolarHBondContact O-N 3.36Å; A247-Y249 VanDerWaalsContact O-N 3.15Å; A247-E250 PolarHBondContact O-N 2.77Å; A247-E250 VanDerWaalsContact O-N 3.1Å; A247-L251 HydrophobicContact CB-CD1 4.24Å; A247-L251 PolarHBondContact O-N 3.45Å; A247-L259 HydrophobicContact CB-CD2 3.43Å; A247-L259 VanDerWaalsContact CB-CD2 3.43Å
248	A	98.7	Very high	98.7	Very high	73 Å²	73	72.2 Å²	72.2	60%	0.603	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-19.8	176	0	0	0	0	0	113.4	V245 N246	V245-A248 VanDerWaalsContact O-CB 3.26Å; V245-A248 WeakPolarHBondContact O-CB 3.44Å; V245-A248 PolarHBondContact O-N 3.26Å; N246-A248 PolarHBondContact O-N 3.48Å; N246-A248 VanDerWaalsContact O-N 3.14Å
249	Y	98.1	Very high	98.7	Very high	128 Å²	128	73.8 Å²	73.8	50%	0.502	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-9.8	177.9	-61.1	-69.2	0	0	0	114.1	R182 N246 A247	R182-Y249 HydrophobicContact CB-CD1 4.34Å; R182-Y249 HydrophobicContact CB-CE1 4.1Å; R182-Y249 HydrophobicContact CG-CD1 4.28Å; N246-Y249 PolarHBondContact O-N 2.78Å; N246-Y249 VanDerWaalsContact O-N 3.15Å; A247-Y249 PolarHBondContact O-N 3.36Å; A247-Y249 VanDerWaalsContact O-N 3.15Å
250	E	98.3	Very high	98.7	Very high	154 Å²	154	78.2 Å²	78.2	72%	0.72	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.1	-22	-171.8	-55.6	-54.3	147.9	0	0	112.8	A247	A247-E250 PolarHBondContact O-N 2.77Å; A247-E250 VanDerWaalsContact O-N 3.1Å
251	L	98.6	Very high	98.7	Very high	75 Å²	75	82.2 Å²	82.2	39%	0.393	44%	0.438	S	S	.	.	S	Bend	trans	-118.3	157.2	-174.9	-61.7	179.1	0	0	0	111.8	A247 E255 L259	A247-L251 HydrophobicContact CB-CD1 4.24Å; A247-L251 PolarHBondContact O-N 3.45Å; L251-E255 HydrophobicContact CB-CB 4.15Å; L251-E255 HydrophobicContact CD1-CB 4.35Å; L251-E255 HydrophobicContact CD2-CB 4.44Å; L251-L259 HydrophobicContact CD1-CB 4.28Å; L251-L259 HydrophobicContact CD1-CD2 3.96Å
252	T	98.7	Very high	98.7	Very high	93 Å²	93	86.2 Å²	86.2	57%	0.571	44%	0.442	S	S	*	.			trans	-63.7	156.4	162.9	70.5	0	0	0	0	109.5	A254 E255 G256	T252-A254 PolarHBondContact O-N 3Å; T252-A254 VanDerWaalsContact O-N 3.15Å; T252-E255 PolarHBondContact O-N 2.76Å; T252-E255 VanDerWaalsContact O-N 3.1Å; T252-E255 PolarHBondContact OG1-N 3.15Å; T252-G256 PolarHBondContact O-N 2.83Å
253	L	98.7	Very high	98.7	Very high	137 Å²	137	86.5 Å²	86.5	72%	0.717	45%	0.445	S	S	*	.	H	α-helix	trans	-53.7	-39.1	178.7	179.2	61.1	0	0	0	112.7	N257	L253-N257 WeakPolarHBondContact O-CB 3.37Å; L253-N257 PolarHBondContact O-N 3.07Å; L253-N257 PolarHBondContact O-ND2 2.94Å
254	A	98.8	Very high	98.7	Very high	68 Å²	68	86.5 Å²	86.5	56%	0.562	44%	0.443	S	S	*	.	H	α-helix	trans	-64.3	-45.2	179.3	0	0	0	0	0	112.2	T252 R258	T252-A254 PolarHBondContact O-N 3Å; T252-A254 VanDerWaalsContact O-N 3.15Å; A254-R258 PolarHBondContact O-N 3.18Å; A254-R258 VanDerWaalsContact O-N 3.1Å
255	E	98.8	Very high	98.7	Very high	96 Å²	96	89.9 Å²	89.9	45%	0.449	46%	0.455	S	S	.	.	H	α-helix	trans	-74.2	-34.9	178.7	-69	-53.5	118.3	0	0	112.2	L251 T252 R258 L259	L251-E255 HydrophobicContact CB-CB 4.15Å; L251-E255 HydrophobicContact CD1-CB 4.35Å; L251-E255 HydrophobicContact CD2-CB 4.44Å; T252-E255 PolarHBondContact O-N 2.76Å; T252-E255 VanDerWaalsContact O-N 3.1Å; T252-E255 PolarHBondContact OG1-N 3.15Å; E255-R258 WeakPolarHBondContact O-CB 3.44Å; E255-R258 PolarHBondContact O-N 3.07Å; E255-L259 PolarHBondContact O-N 2.82Å
256	G	98.8	Very high	98.7	Very high	13 Å²	13	87.5 Å²	87.5	13%	0.134	45%	0.445	C	S	.	.	H	α-helix	trans	-58.8	-48.8	171.1	0	0	0	0	0	111.9	T252 R258 L259 E260	T252-G256 PolarHBondContact O-N 2.83Å; G256-R258 VanDerWaalsContact C-N 3.26Å; G256-R258 PolarHBondContact O-N 3.44Å; G256-L259 PolarHBondContact O-N 3.36Å; G256-E260 WeakPolarHBondContact O-CB 3.41Å; G256-E260 PolarHBondContact O-N 3.06Å
257	N	98.8	Very high	98.7	Very high	82 Å²	82	85.2 Å²	85.2	44%	0.439	43%	0.434	S	S	.	.	H	α-helix	trans	-62.7	-32.6	175.7	-70.2	-13.9	0	0	0	112.5	L253 K261	L253-N257 WeakPolarHBondContact O-CB 3.37Å; L253-N257 PolarHBondContact O-N 3.07Å; L253-N257 PolarHBondContact O-ND2 2.94Å; N257-K261 VanDerWaalsContact O-CB 3.3Å; N257-K261 WeakPolarHBondContact O-CB 3.44Å; N257-K261 PolarHBondContact O-N 3.21Å; N257-K261 VanDerWaalsContact O-N 3.12Å
258	R	98.8	Very high	98.7	Very high	150 Å²	150	88.9 Å²	88.9	57%	0.566	45%	0.447	S	S	*	.	H	α-helix	trans	-68.3	-47	175.3	-178.8	-175.3	169.9	121.9	-2.3	111	A254 E255 G256 K261 R262	A254-R258 PolarHBondContact O-N 3.18Å; A254-R258 VanDerWaalsContact O-N 3.1Å; E255-R258 WeakPolarHBondContact O-CB 3.44Å; E255-R258 PolarHBondContact O-N 3.07Å; G256-R258 VanDerWaalsContact C-N 3.26Å; G256-R258 PolarHBondContact O-N 3.44Å; R258-K261 PolarHBondContact O-N 2.82Å; R258-R262 WeakPolarHBondContact O-CG 3.34Å; R258-R262 PolarHBondContact O-N 3.27Å; R258-R262 VanDerWaalsContact O-N 3.14Å
259	L	98.8	Very high	98.6	Very high	52 Å²	52	89.9 Å²	89.9	27%	0.272	46%	0.455	S	S	.	.	H	α-helix	trans	-60.9	-51.9	176.2	175.4	65.8	0	0	0	111	A247 L251 E255 G256 K261 R262 L263	A247-L259 HydrophobicContact CB-CD2 3.43Å; A247-L259 VanDerWaalsContact CB-CD2 3.43Å; L251-L259 HydrophobicContact CD1-CB 4.28Å; L251-L259 HydrophobicContact CD1-CD2 3.96Å; E255-L259 PolarHBondContact O-N 2.82Å; G256-L259 PolarHBondContact O-N 3.36Å; L259-K261 VanDerWaalsContact C-N 3.26Å; L259-K261 PolarHBondContact O-N 2.85Å; L259-R262 WeakPolarHBondContact O-CA 3.35Å; L259-R262 WeakPolarHBondContact O-CB 3.5Å; L259-R262 PolarHBondContact O-N 3.18Å; L259-L263 HydrophobicContact CD1-CD1 4.3Å; L259-L263 HydrophobicContact CD1-CG 4.3Å; L259-L263 HydrophobicContact CG-CD1 4.09Å; L259-L263 HydrophobicContact CG-CG 4.48Å; L259-L263 PolarHBondContact O-N 3.05Å
260	E	98.8	Very high	98.6	Very high	114 Å²	114	84.3 Å²	84.3	53%	0.533	44%	0.435	S	S	.	.	H	α-helix	trans	-52.1	-47	178	-178	-170.3	74.1	0	0	110.9	G256 R262 L263 F264	G256-E260 WeakPolarHBondContact O-CB 3.41Å; G256-E260 PolarHBondContact O-N 3.06Å; E260-R262 VanDerWaalsContact C-N 3.3Å; E260-R262 PolarHBondContact O-N 3.22Å; E260-L263 PolarHBondContact O-N 3.36Å; E260-F264 WeakPolarHBondContact O-CB 3.39Å; E260-F264 PolarHBondContact O-N 3.24Å
261	K	98.8	Very high	98.6	Very high	118 Å²	118	81.2 Å²	81.2	51%	0.513	42%	0.423	S	S	.	.	H	α-helix	trans	-63.9	-33.5	178.3	-175	150.7	55.3	-171.6	0	113.1	N257 R258 L259 H265	N257-K261 VanDerWaalsContact O-CB 3.3Å; N257-K261 WeakPolarHBondContact O-CB 3.44Å; N257-K261 PolarHBondContact O-N 3.21Å; N257-K261 VanDerWaalsContact O-N 3.12Å; R258-K261 PolarHBondContact O-N 2.82Å; L259-K261 VanDerWaalsContact C-N 3.26Å; L259-K261 PolarHBondContact O-N 2.85Å; K261-H265 PolarHBondContact O-CD2 3.07Å; K261-H265 PolarHBondContact O-N 2.93Å
262	R	98.8	Very high	98.6	Very high	135 Å²	135	77.8 Å²	77.8	51%	0.509	41%	0.405	S	S	.	.	H	α-helix	trans	-72.3	-41.6	175.5	-70.3	-69.7	175.5	-103.9	4.3	111.9	R258 L259 E260 F264 H265 A266	R258-R262 WeakPolarHBondContact O-CG 3.34Å; R258-R262 PolarHBondContact O-N 3.27Å; R258-R262 VanDerWaalsContact O-N 3.14Å; L259-R262 WeakPolarHBondContact O-CA 3.35Å; L259-R262 WeakPolarHBondContact O-CB 3.5Å; L259-R262 PolarHBondContact O-N 3.18Å; E260-R262 VanDerWaalsContact C-N 3.3Å; E260-R262 PolarHBondContact O-N 3.22Å; R262-F264 VanDerWaalsContact C-N 3.35Å; R262-H265 PolarHBondContact NH1-CE1 2.9Å; R262-H265 VanDerWaalsContact NH1-CE1 3.31Å; R262-H265 PolarHBondContact NH1-ND1 3.12Å; R262-H265 PolarHBondContact O-N 2.99Å; R262-A266 PolarHBondContact O-N 2.64Å
263	L	98.7	Very high	98.6	Very high	26 Å²	26	76.2 Å²	76.2	14%	0.136	39%	0.389	C	S	.	.	H	α-helix	trans	-60.7	-45.8	172.1	-69	172.4	0	0	0	110.7	M240 E243 A244 L259 E260 H265 A266 T267	M240-L263 HydrophobicContact CG-CD2 4.49Å; E243-L263 HydrophobicContact CB-CD1 4.49Å; E243-L263 HydrophobicContact CG-CD1 4.37Å; A244-L263 HydrophobicContact CB-CD1 3.89Å; L259-L263 HydrophobicContact CD1-CD1 4.3Å; L259-L263 HydrophobicContact CD1-CG 4.3Å; L259-L263 HydrophobicContact CG-CD1 4.09Å; L259-L263 HydrophobicContact CG-CG 4.48Å; L259-L263 PolarHBondContact O-N 3.05Å; E260-L263 PolarHBondContact O-N 3.36Å; L263-H265 PolarHBondContact O-N 3Å; L263-A266 WeakPolarHBondContact O-CB 3.47Å; L263-A266 PolarHBondContact O-N 2.69Å; L263-A266 VanDerWaalsContact O-N 3.09Å; L263-T267 WeakPolarHBondContact O-CG2 3.33Å; L263-T267 PolarHBondContact O-N 3.06Å; L263-T267 VanDerWaalsContact O-N 3.11Å
264	F	98.8	Very high	98.6	Very high	107 Å²	107	76.1 Å²	76.1	47%	0.469	38%	0.383	S	S	.	.	H	α-helix	trans	-56.9	-48.1	174.2	173.9	-105.4	0	0	0	112.1	E260 R262 A266 T267 F268	E260-F264 WeakPolarHBondContact O-CB 3.39Å; E260-F264 PolarHBondContact O-N 3.24Å; R262-F264 VanDerWaalsContact C-N 3.35Å; F264-A266 VanDerWaalsContact C-N 3.29Å; F264-A266 PolarHBondContact O-N 2.91Å; F264-T267 WeakPolarHBondContact O-CB 3.38Å; F264-T267 PolarHBondContact O-N 3.48Å; F264-T267 PolarHBondContact O-OG1 3.05Å; F264-F268 HydrophobicContact CD1-CE2 4.38Å; F264-F268 AromaticContact CE1-CE2 3.73Å; F264-F268 HydrophobicContact CE1-CE2 3.73Å; F264-F268 HydrophobicContact CE1-CZ 4.3Å; F264-F268 AromaticContact CE2-CE2 3.92Å; F264-F268 HydrophobicContact CE2-CE2 3.92Å; F264-F268 AromaticContact CZ-CE2 3.49Å; F264-F268 HydrophobicContact CZ-CE2 3.49Å; F264-F268 VanDerWaalsContact CZ-CE2 3.49Å; F264-F268 AromaticContact CZ-CZ 3.92Å; F264-F268 HydrophobicContact CZ-CZ 3.92Å; F264-F268 WeakPolarHBondContact O-CD2 3.34Å
265	H	98.8	Very high	98.6	Very high	95 Å²	95	74.7 Å²	74.7	44%	0.44	36%	0.364	S	S	.	.	H	α-helix	trans	-59.2	-39.9	174.9	-66.8	-177.3	0	0	0	112.1	K261 R262 L263 T267 F268	K261-H265 PolarHBondContact O-CD2 3.07Å; K261-H265 PolarHBondContact O-N 2.93Å; R262-H265 PolarHBondContact NH1-CE1 2.9Å; R262-H265 VanDerWaalsContact NH1-CE1 3.31Å; R262-H265 PolarHBondContact NH1-ND1 3.12Å; R262-H265 PolarHBondContact O-N 2.99Å; L263-H265 PolarHBondContact O-N 3Å; H265-T267 VanDerWaalsContact C-N 3.25Å; H265-T267 PolarHBondContact O-N 2.94Å; H265-F268 WeakPolarHBondContact O-CB 3.48Å; H265-F268 PolarHBondContact O-N 2.95Å
266	A	98.4	Very high	98.6	Very high	46 Å²	46	71.2 Å²	71.2	38%	0.38	35%	0.354	S	S	.	.	H	α-helix	trans	-62.6	-32.5	179.3	0	0	0	0	0	112.3	R262 L263 F264 F268 A269	R262-A266 PolarHBondContact O-N 2.64Å; L263-A266 WeakPolarHBondContact O-CB 3.47Å; L263-A266 PolarHBondContact O-N 2.69Å; L263-A266 VanDerWaalsContact O-N 3.09Å; F264-A266 VanDerWaalsContact C-N 3.29Å; F264-A266 PolarHBondContact O-N 2.91Å; A266-F268 PolarHBondContact O-N 3.49Å; A266-F268 VanDerWaalsContact O-N 3.09Å; A266-A269 WeakPolarHBondContact O-CB 3.49Å; A266-A269 PolarHBondContact O-N 3.08Å
267	T	98.6	Very high	98.6	Very high	16 Å²	16	74.9 Å²	74.9	10%	0.098	37%	0.369	C	S	.	.	H	α-helix	trans	-59.3	-22.4	173.4	73.4	0	0	0	0	112.6	M240 L263 F264 H265 A269 T270 R273	M240-T267 HydrophobicContact SD-CG2 3.88Å; L263-T267 WeakPolarHBondContact O-CG2 3.33Å; L263-T267 PolarHBondContact O-N 3.06Å; L263-T267 VanDerWaalsContact O-N 3.11Å; F264-T267 WeakPolarHBondContact O-CB 3.38Å; F264-T267 PolarHBondContact O-N 3.48Å; F264-T267 PolarHBondContact O-OG1 3.05Å; H265-T267 VanDerWaalsContact C-N 3.25Å; H265-T267 PolarHBondContact O-N 2.94Å; T267-A269 PolarHBondContact O-N 2.89Å; T267-T270 PolarHBondContact O-N 3.18Å; T267-T270 VanDerWaalsContact O-N 3.12Å; T267-T270 PolarHBondContact O-OG1 2.88Å; T267-T270 VanDerWaalsContact O-OG1 3.07Å; T267-R273 WeakPolarHBondContact O-CB 3.29Å; T267-R273 VanDerWaalsContact O-CG 3.31Å; T267-R273 WeakPolarHBondContact O-CG 3.08Å
268	F	98.4	Very high	98.6	Very high	89 Å²	89	73.2 Å²	73.2	39%	0.39	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-12.8	176.6	-76.4	-114.5	0	0	0	113.3	F264 H265 A266 R273 M277	F264-F268 HydrophobicContact CD1-CE2 4.38Å; F264-F268 AromaticContact CE1-CE2 3.73Å; F264-F268 HydrophobicContact CE1-CE2 3.73Å; F264-F268 HydrophobicContact CE1-CZ 4.3Å; F264-F268 AromaticContact CE2-CE2 3.92Å; F264-F268 HydrophobicContact CE2-CE2 3.92Å; F264-F268 AromaticContact CZ-CE2 3.49Å; F264-F268 HydrophobicContact CZ-CE2 3.49Å; F264-F268 VanDerWaalsContact CZ-CE2 3.49Å; F264-F268 AromaticContact CZ-CZ 3.92Å; F264-F268 HydrophobicContact CZ-CZ 3.92Å; F264-F268 WeakPolarHBondContact O-CD2 3.34Å; H265-F268 WeakPolarHBondContact O-CB 3.48Å; H265-F268 PolarHBondContact O-N 2.95Å; A266-F268 PolarHBondContact O-N 3.49Å; A266-F268 VanDerWaalsContact O-N 3.09Å; F268-R273 VanDerWaalsContact CA-NH2 3.33Å; F268-R273 PolarHBondContact O-NH2 3.13Å; F268-M277 HydrophobicContact CZ-CE 4.15Å
269	A	98.2	Very high	98.6	Very high	93 Å²	93	66.1 Å²	66.1	77%	0.769	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-3.6	173.4	0	0	0	0	0	114	A266 T267	A266-A269 WeakPolarHBondContact O-CB 3.49Å; A266-A269 PolarHBondContact O-N 3.08Å; T267-A269 PolarHBondContact O-N 2.89Å
270	T	98.1	Very high	98.6	Very high	11 Å²	11	71.9 Å²	71.9	7%	0.067	36%	0.358	C	S	.	.	S	Bend	trans	-99	149.5	-177.6	73.6	0	0	0	0	112.4	L236 T267 R273	L236-T270 HydrophobicContact CD2-CG2 3.64Å; T267-T270 PolarHBondContact O-N 3.18Å; T267-T270 VanDerWaalsContact O-N 3.12Å; T267-T270 PolarHBondContact O-OG1 2.88Å; T267-T270 VanDerWaalsContact O-OG1 3.07Å; T270-R273 WeakPolarHBondContact OG1-CB 3.37Å; T270-R273 PolarHBondContact OG1-N 3Å
271	D	98.4	Very high	98.6	Very high	89 Å²	89	72 Å²	72	48%	0.476	37%	0.367	S	S	.	.	H	α-helix	trans	-72	-35.5	178.8	-77.6	-24.4	0	0	0	110.9	R273 K274 E275 Q291	D271-R273 VanDerWaalsContact C-N 3.29Å; D271-R273 PolarHBondContact O-N 3.21Å; D271-K274 WeakPolarHBondContact O-CB 3.47Å; D271-K274 PolarHBondContact O-N 2.68Å; D271-K274 VanDerWaalsContact O-N 3.11Å; D271-E275 WeakPolarHBondContact O-CB 3.45Å; D271-E275 PolarHBondContact O-N 2.92Å; D271-Q291 HydrophobicContact CB-CB 4.36Å; D271-Q291 PolarHBondContact N-O 2.96Å
272	D	98.4	Very high	98.6	Very high	3 Å²	3	71.9 Å²	71.9	2%	0.016	37%	0.368	C	S	.	.	H	α-helix	trans	-60.4	-37.7	177.8	-79.3	-14.2	0	0	0	112.8	S234 E275 G276 F288 Q289 D290	S234-D272 WeakPolarHBondContact CB-OD2 3.47Å; S234-D272 PolarHBondContact OG-OD2 3.08Å; D272-E275 PolarHBondContact O-N 3.28Å; D272-G276 PolarHBondContact O-N 3.19Å; D272-F288 HydrophobicContact CB-CD1 3.67Å; D272-F288 HydrophobicContact CB-CE1 4.32Å; D272-F288 HydrophobicContact CB-CG 4.46Å; D272-F288 VanDerWaalsContact O-CE1 3.28Å; D272-F288 WeakPolarHBondContact O-CE1 3.29Å; D272-F288 WeakPolarHBondContact OD1-CA 3.37Å; D272-F288 WeakPolarHBondContact OD1-CB 3.32Å; D272-Q289 PolarHBondContact OD1-N 2.9Å; D272-D290 PolarHBondContact OD1-N 3.35Å; D272-D290 VanDerWaalsContact OD2-CA 3.25Å; D272-D290 WeakPolarHBondContact OD2-CA 3.44Å; D272-D290 PolarHBondContact OD2-N 3.38Å
273	R	98.5	Very high	98.5	Very high	61 Å²	61	75 Å²	75	23%	0.23	39%	0.385	C	S	.	.	H	α-helix	trans	-64.5	-44.8	176	-176.8	-77.2	-52.2	-157.4	-7.3	110.5	T267 F268 T270 D271 G276 M277	T267-R273 WeakPolarHBondContact O-CB 3.29Å; T267-R273 VanDerWaalsContact O-CG 3.31Å; T267-R273 WeakPolarHBondContact O-CG 3.08Å; F268-R273 VanDerWaalsContact CA-NH2 3.33Å; F268-R273 PolarHBondContact O-NH2 3.13Å; T270-R273 WeakPolarHBondContact OG1-CB 3.37Å; T270-R273 PolarHBondContact OG1-N 3Å; D271-R273 VanDerWaalsContact C-N 3.29Å; D271-R273 PolarHBondContact O-N 3.21Å; R273-G276 PolarHBondContact O-N 2.91Å; R273-M277 VanDerWaalsContact CD-SD 3.58Å; R273-M277 HydrophobicContact CG-CE 4.33Å; R273-M277 WeakPolarHBondContact O-CG 3.4Å; R273-M277 PolarHBondContact O-N 3.05Å; R273-M277 VanDerWaalsContact O-N 3.09Å
274	K	98.6	Very high	98.5	Very high	135 Å²	135	78.5 Å²	78.5	59%	0.587	40%	0.396	S	S	*	.	H	α-helix	trans	-61.7	-48	177.9	-176.9	-178.1	178	-175.4	0	110.7	D271 T278	D271-K274 WeakPolarHBondContact O-CB 3.47Å; D271-K274 PolarHBondContact O-N 2.68Å; D271-K274 VanDerWaalsContact O-N 3.11Å; K274-T278 VanDerWaalsContact O-CB 3.27Å; K274-T278 WeakPolarHBondContact O-CB 3.27Å; K274-T278 PolarHBondContact O-N 2.72Å; K274-T278 PolarHBondContact O-OG1 2.95Å
275	E	98.6	Very high	98.4	Very high	38 Å²	38	82.1 Å²	82.1	18%	0.178	41%	0.412	C	S	.	.	H	α-helix	trans	-61.3	-47.4	177.7	166.2	53.3	-165.6	0	0	111.8	D271 D272 M277 T278 A279 R284 A286 N287	D271-E275 WeakPolarHBondContact O-CB 3.45Å; D271-E275 PolarHBondContact O-N 2.92Å; D272-E275 PolarHBondContact O-N 3.28Å; E275-M277 PolarHBondContact O-N 3.22Å; E275-T278 PolarHBondContact O-N 3.38Å; E275-A279 VanDerWaalsContact O-CB 3.25Å; E275-A279 WeakPolarHBondContact O-CB 3.28Å; E275-A279 PolarHBondContact O-N 2.86Å; E275-R284 IonicContact OE1-CZ 3.08Å; E275-R284 IonicContact OE1-NH1 2.63Å; E275-R284 PolarHBondContact OE1-NH1 3.15Å; E275-R284 IonicContact OE1-NH2 2.62Å; E275-R284 IonicContact OE2-CZ 3.63Å; E275-R284 IonicContact OE2-NH1 2.72Å; E275-R284 PolarHBondContact OE2-NH1 3.38Å; E275-R284 IonicContact OE2-NH2 3.98Å; E275-R284 PolarHBondContact OE2-NH2 3.03Å; E275-A286 WeakPolarHBondContact OE1-CA 3.21Å; E275-N287 PolarHBondContact OE1-N 3.01Å
276	G	98.4	Very high	98.4	Very high	22 Å²	22	79 Å²	79	23%	0.227	40%	0.403	C	S	.	.	H	α-helix	trans	-59.6	-46.3	179.8	0	0	0	0	0	113	D272 R273 F280	D272-G276 PolarHBondContact O-N 3.19Å; R273-G276 PolarHBondContact O-N 2.91Å; G276-F280 PolarHBondContact O-N 3.04Å; G276-F280 VanDerWaalsContact O-N 3.15Å
277	M	98.7	Very high	98.3	Very high	91 Å²	91	81.9 Å²	81.9	45%	0.448	41%	0.412	S	S	.	.	H	α-helix	trans	-67.5	-39.3	176.5	-70.3	-175.7	174.4	0	0	112.2	F268 R273 E275 F280 V281	F268-M277 HydrophobicContact CZ-CE 4.15Å; R273-M277 VanDerWaalsContact CD-SD 3.58Å; R273-M277 HydrophobicContact CG-CE 4.33Å; R273-M277 WeakPolarHBondContact O-CG 3.4Å; R273-M277 PolarHBondContact O-N 3.05Å; R273-M277 VanDerWaalsContact O-N 3.09Å; E275-M277 PolarHBondContact O-N 3.22Å; M277-F280 PolarHBondContact O-N 3.47Å; M277-V281 WeakPolarHBondContact O-CG2 3.37Å; M277-V281 PolarHBondContact O-N 2.81Å; M277-V281 VanDerWaalsContact O-N 3.15Å
278	T	98.8	Very high	98.3	Very high	47 Å²	47	83.9 Å²	83.9	29%	0.288	42%	0.419	S	S	.	.	H	α-helix	trans	-64.5	-48.8	177.8	-57.8	0	0	0	0	110.9	K274 E275 F280 V281 E282	K274-T278 VanDerWaalsContact O-CB 3.27Å; K274-T278 WeakPolarHBondContact O-CB 3.27Å; K274-T278 PolarHBondContact O-N 2.72Å; K274-T278 PolarHBondContact O-OG1 2.95Å; E275-T278 PolarHBondContact O-N 3.38Å; T278-F280 VanDerWaalsContact C-N 3.27Å; T278-F280 PolarHBondContact O-N 3.05Å; T278-V281 PolarHBondContact O-N 3.1Å; T278-V281 VanDerWaalsContact O-N 3.16Å; T278-E282 HydrophobicContact CG2-CG 4.28Å; T278-E282 WeakPolarHBondContact CG2-OE1 3.14Å; T278-E282 WeakPolarHBondContact O-CB 3.42Å; T278-E282 WeakPolarHBondContact O-CG 3.29Å; T278-E282 PolarHBondContact O-N 2.95Å
279	A	98.6	Very high	98.1	Very high	1 Å²	1	84.5 Å²	84.5	1%	0.008	42%	0.423	C	S	.	.	H	α-helix	trans	-58.7	-38.5	178.3	0	0	0	0	0	112.3	E275 E282 K283 R284 A286	E275-A279 VanDerWaalsContact O-CB 3.25Å; E275-A279 WeakPolarHBondContact O-CB 3.28Å; E275-A279 PolarHBondContact O-N 2.86Å; A279-E282 CarbonylContact O-C 3.2Å; A279-E282 PolarHBondContact O-N 3.1Å; A279-K283 PolarHBondContact O-N 3.26Å; A279-R284 CarbonylContact C-O 3.55Å; A279-R284 HydrophobicContact CB-CG 3.99Å; A279-R284 PolarHBondContact O-N 3.48Å; A279-A286 HydrophobicContact CB-CB 3.8Å
280	F	98.6	Very high	97.9	Very high	173 Å²	173	82.9 Å²	82.9	76%	0.759	40%	0.401	S	S	*	.	H	α-helix	trans	-62.6	-48.9	174.7	179	-97.1	0	0	0	112.2	G276 M277 T278 E282 K283	G276-F280 PolarHBondContact O-N 3.04Å; G276-F280 VanDerWaalsContact O-N 3.15Å; M277-F280 PolarHBondContact O-N 3.47Å; T278-F280 VanDerWaalsContact C-N 3.27Å; T278-F280 PolarHBondContact O-N 3.05Å; F280-E282 VanDerWaalsContact C-N 3.32Å; F280-E282 PolarHBondContact O-N 3.1Å; F280-K283 PolarHBondContact O-N 3.5Å
281	V	98.6	Very high	97	Very high	117 Å²	117	89.4 Å²	89.4	71%	0.709	43%	0.431	S	S	*	.	H	α-helix	trans	-62.6	-40.3	177.8	172.4	0	0	0	0	111.3	M277 T278 K283	M277-V281 WeakPolarHBondContact O-CG2 3.37Å; M277-V281 PolarHBondContact O-N 2.81Å; M277-V281 VanDerWaalsContact O-N 3.15Å; T278-V281 PolarHBondContact O-N 3.1Å; T278-V281 VanDerWaalsContact O-N 3.16Å; V281-K283 VanDerWaalsContact C-N 3.27Å; V281-K283 PolarHBondContact O-N 3.08Å
282	E	98.6	Very high	96.9	Very high	114 Å²	114	89.4 Å²	89.4	53%	0.533	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-1.2	179.3	-67.4	177.3	171.1	0	0	113.7	T278 A279 F280 R284	T278-E282 HydrophobicContact CG2-CG 4.28Å; T278-E282 WeakPolarHBondContact CG2-OE1 3.14Å; T278-E282 WeakPolarHBondContact O-CB 3.42Å; T278-E282 WeakPolarHBondContact O-CG 3.29Å; T278-E282 PolarHBondContact O-N 2.95Å; A279-E282 CarbonylContact O-C 3.2Å; A279-E282 PolarHBondContact O-N 3.1Å; F280-E282 VanDerWaalsContact C-N 3.32Å; F280-E282 PolarHBondContact O-N 3.1Å; E282-R284 VanDerWaalsContact C-N 3.28Å; E282-R284 HydrophobicContact CB-CG 4.11Å; E282-R284 PolarHBondContact O-N 3.21Å; E282-R284 IonicContact OE2-CZ 3.56Å; E282-R284 IonicContact OE2-NE 3.53Å; E282-R284 PolarHBondContact OE2-NE 3.42Å; E282-R284 IonicContact OE2-NH2 2.71Å; E282-R284 PolarHBondContact OE2-NH2 3.33Å
283	K	98.2	Very high	96.8	Very high	200 Å²	200	93.9 Å²	93.9	87%	0.87	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	38.6	-179.2	-56	-179.7	-179.8	178.5	0	113.9	A279 F280 V281	A279-K283 PolarHBondContact O-N 3.26Å; F280-K283 PolarHBondContact O-N 3.5Å; V281-K283 VanDerWaalsContact C-N 3.27Å; V281-K283 PolarHBondContact O-N 3.08Å
284	R	98.4	Very high	96.7	Very high	101 Å²	101	95.8 Å²	95.8	38%	0.381	46%	0.463	S	S	.	.	S	Bend	trans	-118	166.6	174.6	62.3	175.9	178.9	77	2.4	110.9	E275 A279 E282	E275-R284 IonicContact OE1-CZ 3.08Å; E275-R284 IonicContact OE1-NH1 2.63Å; E275-R284 PolarHBondContact OE1-NH1 3.15Å; E275-R284 IonicContact OE1-NH2 2.62Å; E275-R284 IonicContact OE2-CZ 3.63Å; E275-R284 IonicContact OE2-NH1 2.72Å; E275-R284 PolarHBondContact OE2-NH1 3.38Å; E275-R284 IonicContact OE2-NH2 3.98Å; E275-R284 PolarHBondContact OE2-NH2 3.03Å; A279-R284 CarbonylContact C-O 3.55Å; A279-R284 HydrophobicContact CB-CG 3.99Å; A279-R284 PolarHBondContact O-N 3.48Å; E282-R284 VanDerWaalsContact C-N 3.28Å; E282-R284 HydrophobicContact CB-CG 4.11Å; E282-R284 PolarHBondContact O-N 3.21Å; E282-R284 IonicContact OE2-CZ 3.56Å; E282-R284 IonicContact OE2-NE 3.53Å; E282-R284 PolarHBondContact OE2-NE 3.42Å; E282-R284 IonicContact OE2-NH2 2.71Å; E282-R284 PolarHBondContact OE2-NH2 3.33Å
285	K	97.2	Very high	96.6	Very high	182 Å²	182	93.5 Å²	93.5	79%	0.791	46%	0.456	S	S	*	.			trans	-71.1	134.5	172.5	-171.2	174.9	179.1	176.1	0	109.5
286	A	97.9	Very high	96.5	Very high	30 Å²	30	96.9 Å²	96.9	25%	0.248	47%	0.473	C	S	.	.			trans	-69.3	145.4	174.2	0	0	0	0	0	111.3	E275 A279 F288	E275-A286 WeakPolarHBondContact OE1-CA 3.21Å; A279-A286 HydrophobicContact CB-CB 3.8Å; A286-F288 HydrophobicContact CB-CE1 3.94Å; A286-F288 HydrophobicContact CB-CE2 4.03Å; A286-F288 HydrophobicContact CB-CZ 3.67Å
287	N	97.5	Very high	96.3	Very high	107 Å²	107	101.9 Å²	101.9	57%	0.572	49%	0.489	S	S	*	.			trans	-121.5	78.7	177.9	-177.3	39.6	0	0	0	111.2	E275 Q289	E275-N287 PolarHBondContact OE1-N 3.01Å; N287-Q289 VanDerWaalsContact CG-NE2 3.33Å; N287-Q289 PolarHBondContact ND2-NE2 3.37Å; N287-Q289 PolarHBondContact O-NE2 3.03Å; N287-Q289 PolarHBondContact OD1-NE2 3.42Å
288	F	97.8	Very high	96.2	Very high	58 Å²	58	102.7 Å²	102.7	25%	0.254	49%	0.492	S	S	.	.			trans	-65.7	141.9	-179.7	-57.6	-54.5	0	0	0	112.6	D272 A286	D272-F288 HydrophobicContact CB-CD1 3.67Å; D272-F288 HydrophobicContact CB-CE1 4.32Å; D272-F288 HydrophobicContact CB-CG 4.46Å; D272-F288 VanDerWaalsContact O-CE1 3.28Å; D272-F288 WeakPolarHBondContact O-CE1 3.29Å; D272-F288 WeakPolarHBondContact OD1-CA 3.37Å; D272-F288 WeakPolarHBondContact OD1-CB 3.32Å; A286-F288 HydrophobicContact CB-CE1 3.94Å; A286-F288 HydrophobicContact CB-CE2 4.03Å; A286-F288 HydrophobicContact CB-CZ 3.67Å
289	Q	94.8	Very high	96	Very high	102 Å²	102	107 Å²	107	48%	0.477	51%	0.508	S	S	.	.			trans	-117.2	-3.1	-178.3	-59.5	-54.6	-52.6	0	0	113.2	D272 N287 Q291	D272-Q289 PolarHBondContact OD1-N 2.9Å; N287-Q289 VanDerWaalsContact CG-NE2 3.33Å; N287-Q289 PolarHBondContact ND2-NE2 3.37Å; N287-Q289 PolarHBondContact O-NE2 3.03Å; N287-Q289 PolarHBondContact OD1-NE2 3.42Å; Q289-Q291 VanDerWaalsContact C-N 3.34Å; Q289-Q291 HydrophobicContact CB-CG 4.22Å; Q289-Q291 PolarHBondContact O-N 3.45Å
290	D	93.1	Very high	95.8	Very high	58 Å²	58	115.8 Å²	115.8	31%	0.31	55%	0.55	S	S	.	.			trans	59	41.3	-177.9	-56	-50.2	0	0	0	113.1	K235 D272	K235-D290 WeakPolarHBondContact CB-OD1 3.29Å; K235-D290 WeakPolarHBondContact CD-OD2 3.43Å; K235-D290 WeakPolarHBondContact CE-OD2 3.46Å; K235-D290 WeakPolarHBondContact CG-OD1 3.2Å; K235-D290 PolarHBondContact N-OD1 2.84Å; K235-D290 IonicContact NZ-OD2 3.95Å; K235-D290 PolarHBondContact NZ-OD2 3.37Å; D272-D290 PolarHBondContact OD1-N 3.35Å; D272-D290 VanDerWaalsContact OD2-CA 3.25Å; D272-D290 WeakPolarHBondContact OD2-CA 3.44Å; D272-D290 PolarHBondContact OD2-N 3.38Å
291	Q	78.5	Confident	95.5	Very high	148 Å²	148	110.6 Å²	110.6	69%	0.692	53%	0.531	S	S	*	.			trans	-114.7	0	178.6	-62.8	-176.1	26.4	0	0	112.5	D271 Q289	D271-Q291 HydrophobicContact CB-CB 4.36Å; D271-Q291 PolarHBondContact N-O 2.96Å; Q289-Q291 VanDerWaalsContact C-N 3.34Å; Q289-Q291 HydrophobicContact CB-CG 4.22Å; Q289-Q291 PolarHBondContact O-N 3.45Å

Retrieved 291 of 291 residues in 107.8 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).