A0A087X7U5_POEFO Loading...

Ribulose-phosphate 3-epimerase

Catalyzes the reversible epimerization of D-ribulose 5-phosphate to D-xylulose 5-phosphate.

AlphaFold DB , UniProt , Accession A0A087X7U5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 252 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.6	Very low	39.6	Very low	249 Å²	249	161.3 Å²	161.3	100%	1.227	88%	0.882	S	S	*	*				0	128.6	0	-103.9	176.4	162.9	0	0	108.4
2	L	38.6	Very low	39.3	Very low	157 Å²	157	157 Å²	157	82%	0.822	87%	0.868	S	S	*	*			trans	-65.2	142.5	-173.3	-97.2	86	0	0	0	114.4
3	R	37.4	Very low	39.6	Very low	229 Å²	229	163.7 Å²	163.7	86%	0.864	87%	0.872	S	S	*	*				149.3	112.7	111.2	-102.6	158.9	-167.5	-132.9	3.6	112
4	L	43.1	Very low	39.9	Very low	181 Å²	181	164.5 Å²	164.5	95%	0.948	88%	0.876	S	S	*	*	P	Polyproline II helix	trans	-79.9	126.6	153.6	-91.2	97.4	0	0	0	108.5
5	A	41	Very low	39.7	Very low	96 Å²	96	166.1 Å²	166.1	79%	0.793	88%	0.876	S	S	*	*	P	Polyproline II helix	trans	-98.7	118.3	170.4	0	0	0	0	0	109.7
6	R	41	Very low	39.9	Very low	244 Å²	244	162.1 Å²	162.1	92%	0.921	87%	0.874	S	S	*	*	P	Polyproline II helix	trans	-75.8	128.3	169.1	-76.2	178.2	171.9	-169.5	-3.5	109	A8	R6-A8 PolarHBondContact O-N 2.99Å
7	L	37.8	Very low	39.7	Very low	179 Å²	179	166.1 Å²	166.1	94%	0.937	87%	0.873	S	S	*	*			trans	-76.2	113.4	161.1	-98.4	86.1	0	0	0	108.4
8	A	38.8	Very low	39.6	Very low	96 Å²	96	164.1 Å²	164.1	79%	0.793	87%	0.872	S	S	*	*	P	Polyproline II helix	trans	-88.8	116.8	163.5	0	0	0	0	0	108	R6 S10	R6-A8 PolarHBondContact O-N 2.99Å; A8-S10 PolarHBondContact O-N 2.7Å
9	A	40.4	Very low	39.8	Very low	98 Å²	98	161.5 Å²	161.5	81%	0.81	86%	0.863	S	S	*	*	P	Polyproline II helix	trans	-71.9	120	168.8	0	0	0	0	0	108.6
10	S	38.5	Very low	39.8	Very low	115 Å²	115	162.3 Å²	162.3	80%	0.804	87%	0.868	S	S	*	*	P	Polyproline II helix	trans	-77.6	119.9	177.8	51.6	0	0	0	0	110.7	A8	A8-S10 PolarHBondContact O-N 2.7Å
11	V	39	Very low	39.9	Very low	130 Å²	130	157.8 Å²	157.8	79%	0.788	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-68.2	133.2	168.5	-176.1	0	0	0	0	108.9	R13	V11-R13 PolarHBondContact O-N 3.23Å
12	P	36.9	Very low	40.1	Very low	110 Å²	110	158.3 Å²	158.3	71%	0.714	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-70.2	128.4	179.4	-8.3	23.6	0	0	0	110.1	L14	P12-L14 PolarHBondContact O-N 3.25Å
13	R	42.5	Very low	40.4	Very low	244 Å²	244	156.8 Å²	156.8	92%	0.921	83%	0.826	S	S	*	*			trans	-70.3	114.4	167	-74	-176.6	179.8	-155.3	-1.1	108.7	V11 Q15	V11-R13 PolarHBondContact O-N 3.23Å; R13-Q15 PolarHBondContact O-N 3.06Å
14	L	43.5	Very low	41	Very low	175 Å²	175	151.2 Å²	151.2	92%	0.916	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-65.6	119.3	164.5	-88.2	99.8	0	0	0	108.8	P12	P12-L14 PolarHBondContact O-N 3.25Å
15	Q	37.6	Very low	41.6	Very low	189 Å²	189	144 Å²	144	88%	0.883	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-80.9	117.2	169.6	-75.5	-179.9	-7.1	0	0	109.3	R13	R13-Q15 PolarHBondContact O-N 3.06Å
16	A	43.4	Very low	43.3	Very low	102 Å²	102	143.3 Å²	143.3	84%	0.843	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-70	129	168.2	0	0	0	0	0	109.9
17	R	36.6	Very low	45.4	Very low	229 Å²	229	132.4 Å²	132.4	86%	0.864	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-78.6	140.8	170.3	-76.5	-177	176	-175.4	-0.8	109.8	T19	R17-T19 PolarHBondContact O-N 3.49Å
18	P	36.4	Very low	48.1	Very low	130 Å²	130	127 Å²	127	84%	0.844	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-76.4	124.8	174.9	30.8	-29.4	0	0	0	109
19	T	43.8	Very low	51	Low	115 Å²	115	123.1 Å²	123.1	71%	0.706	68%	0.682	S	S	*	*			trans	-109.1	118.4	168.7	55.5	0	0	0	0	108.7	R17	R17-T19 PolarHBondContact O-N 3.49Å
20	N	39.9	Very low	53.7	Low	178 Å²	178	121 Å²	121	95%	0.952	65%	0.654	S	S	*	*			trans	-93.9	98.4	179	-145.6	7.8	0	0	0	107.3
21	S	42.4	Very low	56.6	Low	68 Å²	68	115.5 Å²	115.5	48%	0.476	62%	0.616	S	S	.	*			trans	-156.9	134.3	170.4	139.7	0	0	0	0	107.2	H23	S21-H23 WeakPolarHBondContact CB-CE1 3.41Å; S21-H23 WeakPolarHBondContact CB-ND1 3.43Å; S21-H23 PolarHBondContact O-N 3.32Å; S21-H23 PolarHBondContact O-ND1 3.12Å; S21-H23 PolarHBondContact OG-CE1 2.9Å; S21-H23 PolarHBondContact OG-ND1 3.42Å; S21-H23 PolarHBondContact OG-NE2 3.47Å
22	R	43.5	Very low	59.4	Low	260 Å²	260	109.3 Å²	109.3	98%	0.981	58%	0.578	S	S	*	*			trans	-66.5	82.6	171.2	-73.5	179.3	175.3	-179.3	-2.4	107.5	S24	R22-S24 PolarHBondContact O-N 3.37Å
23	H	45.1	Very low	62.4	Low	125 Å²	125	104 Å²	104	58%	0.579	54%	0.544	S	S	*	.			trans	-79	115.8	-179.2	-70.9	83.5	0	0	0	108.8	S21 M25	S21-H23 WeakPolarHBondContact CB-CE1 3.41Å; S21-H23 WeakPolarHBondContact CB-ND1 3.43Å; S21-H23 PolarHBondContact O-N 3.32Å; S21-H23 PolarHBondContact O-ND1 3.12Å; S21-H23 PolarHBondContact OG-CE1 2.9Å; S21-H23 PolarHBondContact OG-ND1 3.42Å; S21-H23 PolarHBondContact OG-NE2 3.47Å; H23-M25 PolarHBondContact O-N 3.35Å
24	S	49.6	Very low	64.9	Low	111 Å²	111	92.8 Å²	92.8	78%	0.776	50%	0.502	S	S	*	.			trans	-40.1	126.9	143.7	170.2	0	0	0	0	107.8	R22 A26	R22-S24 PolarHBondContact O-N 3.37Å; S24-A26 PolarHBondContact O-N 3.19Å
25	M	56.5	Low	67.3	Low	31 Å²	31	84.4 Å²	84.4	15%	0.153	46%	0.459	C	S	.	.			trans	-50.6	135.8	174.8	-77.6	-77.3	-122.2	0	0	109.6	H23 Y27 I245 R248 S249	H23-M25 PolarHBondContact O-N 3.35Å; M25-Y27 HydrophobicContact CB-CE1 4.34Å; M25-Y27 HydrophobicContact CE-CE1 4.05Å; M25-Y27 WeakPolarHBondContact CE-OH 3.35Å; M25-Y27 PolarHBondContact O-N 2.89Å; M25-Y27 VanDerWaalsContact O-N 3.1Å; M25-Y27 HydrophobicContact SD-CE1 3.79Å; M25-I245 HydrophobicContact CB-CG2 4.38Å; M25-I245 HydrophobicContact CG-CG2 4.37Å; M25-R248 HydrophobicContact CE-CB 4.04Å; M25-S249 WeakPolarHBondContact CG-OG 3.43Å
26	A	75.2	Confident	69.6	Low	80 Å²	80	77 Å²	77	66%	0.661	43%	0.425	S	S	*	.	S	Bend	trans	-73.9	3.6	-172.5	0	0	0	0	0	114.1	S24	S24-A26 PolarHBondContact O-N 3.19Å
27	Y	86.3	Confident	71.6	Confident	15 Å²	15	74.4 Å²	74.4	6%	0.059	40%	0.401	C	S	.	.			trans	-144.3	154	-173.2	58.3	-84.6	0	0	0	110.9	M25 R188 P192 D195 N216 I245	M25-Y27 HydrophobicContact CB-CE1 4.34Å; M25-Y27 HydrophobicContact CE-CE1 4.05Å; M25-Y27 WeakPolarHBondContact CE-OH 3.35Å; M25-Y27 PolarHBondContact O-N 2.89Å; M25-Y27 VanDerWaalsContact O-N 3.1Å; M25-Y27 HydrophobicContact SD-CE1 3.79Å; Y27-R188 VanDerWaalsContact CE1-NH1 3.26Å; Y27-R188 VanDerWaalsContact CZ-CZ 3.43Å; Y27-R188 WeakPolarHBondContact OH-CD 3.39Å; Y27-R188 PolarHBondContact OH-NE 2.58Å; Y27-P192 WeakPolarHBondContact CE1-O 3.4Å; Y27-D195 VanDerWaalsContact CB-OD1 3.31Å; Y27-D195 WeakPolarHBondContact CB-OD1 3.26Å; Y27-N216 HydrophobicContact CD2-CB 3.59Å; Y27-N216 HydrophobicContact CE2-CB 4.07Å; Y27-I245 HydrophobicContact CD2-CD1 4.01Å; Y27-I245 HydrophobicContact CD2-CG1 4.39Å; Y27-I245 HydrophobicContact CE2-CD1 4.04Å; Y27-I245 HydrophobicContact CE2-CG1 3.9Å; Y27-I245 HydrophobicContact CE2-CG2 4.42Å
28	S	95	Very high	74.3	Confident	67 Å²	67	64.2 Å²	64.2	47%	0.469	36%	0.364	S	S	.	.			trans	-126.4	164.8	180	65.2	0	0	0	0	110.9	N216	S28-N216 PolarHBondContact O-ND2 3.35Å
29	A	98.1	Very high	77	Confident	14 Å²	14	62.4 Å²	62.4	12%	0.116	35%	0.348	C	S	.	.			trans	-66.1	129.2	170.2	0	0	0	0	0	110.1	N216 R238 V241 A242 I245	A29-N216 CarbonylContact C-O 3.17Å; A29-N216 WeakPolarHBondContact CA-O 3.21Å; A29-R238 HydrophobicContact CB-CG 3.96Å; A29-V241 HydrophobicContact CB-CB 3.76Å; A29-V241 HydrophobicContact CB-CG1 3.54Å; A29-A242 HydrophobicContact CB-CB 4.39Å; A29-I245 HydrophobicContact CB-CD1 4.46Å
30	K	98.7	Very high	79.3	Confident	52 Å²	52	60.8 Å²	60.8	23%	0.226	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	135.5	173.3	-59.5	174.3	-170.4	152.5	0	109.8	D56 Y57 D195 N216 M217 I218	K30-D56 WeakPolarHBondContact CA-OD2 3.35Å; K30-D56 HydrophobicContact CB-CB 3.98Å; K30-D56 HydrophobicContact CG-CB 4.41Å; K30-Y57 HydrophobicContact CB-CD1 4.18Å; K30-Y57 HydrophobicContact CB-CE1 3.9Å; K30-D195 IonicContact NZ-OD2 3.46Å; K30-D195 PolarHBondContact NZ-OD2 3.2Å; K30-N216 PolarHBondContact N-O 2.82Å; K30-M217 HydrophobicContact CB-CG 4.22Å; K30-M217 HydrophobicContact CD-CE 4.14Å; K30-M217 HydrophobicContact CD-CG 4.14Å; K30-M217 HydrophobicContact CD-SD 4.03Å; K30-M217 WeakPolarHBondContact O-CA 3.28Å; K30-I218 PolarHBondContact O-N 3.05Å
31	I	98.8	Very high	81.9	Confident	0 Å²	0	57 Å²	57	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	123.4	179.1	-49.4	-56.6	0	0	0	109.3	D56 Y57 I218 I234 L237 R238	I31-D56 PolarHBondContact N-OD2 3.39Å; I31-D56 PolarHBondContact O-N 3.49Å; I31-Y57 VanDerWaalsContact C-CE1 3.46Å; I31-I218 HydrophobicContact CD1-CB 3.68Å; I31-I218 HydrophobicContact CD1-CG1 3.79Å; I31-I218 HydrophobicContact CD1-CG2 4.33Å; I31-I234 HydrophobicContact CB-CG2 4.1Å; I31-I234 HydrophobicContact CG1-CG2 4.33Å; I31-I234 HydrophobicContact CG2-CG1 4.27Å; I31-I234 HydrophobicContact CG2-CG2 4.14Å; I31-L237 HydrophobicContact CD1-CB 3.69Å; I31-L237 HydrophobicContact CG1-CB 4.26Å; I31-L237 HydrophobicContact CG2-CD1 4.17Å; I31-R238 HydrophobicContact CD1-CB 4.3Å; I31-R238 HydrophobicContact CG1-CB 3.85Å
32	G	98.6	Very high	84.4	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	104.5	178.1	0	0	0	0	0	111.4	S34 Y57 I218 V219 S220	G32-S34 PolarHBondContact O-N 2.69Å; G32-Y57 VanDerWaalsContact CA-CE1 3.42Å; G32-Y57 WeakPolarHBondContact CA-O 3.43Å; G32-I218 PolarHBondContact N-O 3.1Å; G32-V219 VanDerWaalsContact O-CA 3.27Å; G32-V219 WeakPolarHBondContact O-CA 3.48Å; G32-S220 PolarHBondContact O-N 3.14Å
33	P	98.1	Very high	86.9	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	130.6	174.4	-24.6	36.9	0	0	0	110.9	I35 M50 A55 Y57 H59 S220 V224 I225 I234	P33-I35 PolarHBondContact O-N 2.91Å; P33-M50 HydrophobicContact CB-CB 4.44Å; P33-M50 HydrophobicContact CB-CG 3.97Å; P33-M50 HydrophobicContact CB-SD 4.01Å; P33-M50 HydrophobicContact CG-CB 4.14Å; P33-M50 HydrophobicContact CG-CG 4.1Å; P33-M50 HydrophobicContact CG-SD 3.99Å; P33-A55 VanDerWaalsContact CD-CB 3.47Å; P33-A55 HydrophobicContact CG-CB 3.81Å; P33-Y57 VanDerWaalsContact CD-O 3.31Å; P33-Y57 WeakPolarHBondContact CD-O 3.08Å; P33-H59 PolarHBondContact O-N 2.93Å; P33-H59 VanDerWaalsContact O-N 3.12Å; P33-S220 VanDerWaalsContact CA-O 3.3Å; P33-S220 WeakPolarHBondContact CA-O 3.49Å; P33-V224 HydrophobicContact CB-CG1 4.25Å; P33-V224 HydrophobicContact CG-CG1 4.1Å; P33-I225 HydrophobicContact CB-CD1 4.31Å; P33-I234 HydrophobicContact CG-CD1 4.19Å
34	S	96.5	Very high	89.4	Confident	7 Å²	7	39.5 Å²	39.5	5%	0.049	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-79.1	112.6	167.3	158.9	0	0	0	0	108.1	G32 L36 D61 S220	G32-S34 PolarHBondContact O-N 2.69Å; S34-L36 PolarHBondContact O-N 3.09Å; S34-D61 PolarHBondContact OG-OD2 3Å; S34-S220 PolarHBondContact N-O 3.41Å; S34-S220 VanDerWaalsContact N-O 3.16Å
35	I	92.4	Very high	91.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-80.2	-3.3	-174.3	69.7	173.4	0	0	0	113	P33 S37 S38 L43 C47 L58 H59 L60 L81	P33-I35 PolarHBondContact O-N 2.91Å; I35-S37 PolarHBondContact O-N 2.62Å; I35-S38 VanDerWaalsContact O-CB 3.28Å; I35-S38 WeakPolarHBondContact O-CB 3.36Å; I35-S38 PolarHBondContact O-N 3.23Å; I35-S38 PolarHBondContact O-OG 2.96Å; I35-L43 HydrophobicContact CB-CD1 3.94Å; I35-L43 HydrophobicContact CD1-CD1 3.49Å; I35-L43 VanDerWaalsContact CD1-CD1 3.49Å; I35-L43 HydrophobicContact CD1-CD2 3.82Å; I35-L43 HydrophobicContact CD1-CG 3.66Å; I35-L43 HydrophobicContact CG1-CD1 3.82Å; I35-L43 HydrophobicContact CG1-CG 4.49Å; I35-C47 WeakPolarHBondContact CD1-SG 3.38Å; I35-L58 HydrophobicContact CG2-CD2 4.12Å; I35-H59 PolarHBondContact N-O 3.36Å; I35-L60 HydrophobicContact CD1-CD2 3.03Å; I35-L60 HydrophobicContact CG1-CD2 3.54Å; I35-L81 HydrophobicContact CD1-CD1 4.09Å
36	L	86.3	Confident	93.6	Very high	34 Å²	34	38.3 Å²	38.3	18%	0.178	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-60	-26.1	175.2	-176.8	60.5	0	0	0	112.3	S34 S38 D61 M63 T72	S34-L36 PolarHBondContact O-N 3.09Å; L36-S38 VanDerWaalsContact C-N 3.27Å; L36-S38 PolarHBondContact O-N 3.38Å; L36-D61 HydrophobicContact CB-CB 4.23Å; L36-D61 HydrophobicContact CD2-CB 4.02Å; L36-M63 HydrophobicContact CD2-CE 3.65Å; L36-T72 HydrophobicContact CD1-CG2 3.46Å; L36-T72 VanDerWaalsContact CD1-CG2 3.46Å; L36-T72 HydrophobicContact CD2-CG2 4.18Å; L36-T72 HydrophobicContact CG-CG2 4.48Å
37	S	86.5	Confident	94.6	Very high	47 Å²	47	34.5 Å²	34.5	33%	0.329	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-82.6	0.6	177.2	-57.9	0	0	0	0	114	I35 S222 I225	I35-S37 PolarHBondContact O-N 2.62Å; S37-S222 PolarHBondContact OG-N 3.33Å; S37-I225 WeakPolarHBondContact O-CG2 3.35Å
38	S	92.4	Very high	95.2	Very high	14 Å²	14	36 Å²	36	10%	0.098	22%	0.224	C	C	.	.	S	Bend	trans	-90.4	173.3	-177.6	74.8	0	0	0	0	112.8	I35 L36 L40 L43	I35-S38 VanDerWaalsContact O-CB 3.28Å; I35-S38 WeakPolarHBondContact O-CB 3.36Å; I35-S38 PolarHBondContact O-N 3.23Å; I35-S38 PolarHBondContact O-OG 2.96Å; L36-S38 VanDerWaalsContact C-N 3.27Å; L36-S38 PolarHBondContact O-N 3.38Å; S38-L40 PolarHBondContact O-N 3.08Å; S38-L43 WeakPolarHBondContact OG-CD1 3.42Å
39	D	92.8	Very high	95.3	Very high	92 Å²	92	36.1 Å²	36.1	49%	0.492	22%	0.215	S	C	.	.			trans	-68.8	98.8	167.4	-176	-8.1	0	0	0	109.7	S41 C42 L43	D39-S41 VanDerWaalsContact CG-OG 3.22Å; D39-S41 PolarHBondContact O-N 3.13Å; D39-S41 VanDerWaalsContact O-N 3.09Å; D39-S41 VanDerWaalsContact OD1-CB 3.28Å; D39-S41 WeakPolarHBondContact OD1-CB 3.3Å; D39-S41 PolarHBondContact OD1-N 2.92Å; D39-S41 PolarHBondContact OD1-OG 3.38Å; D39-S41 PolarHBondContact OD2-OG 3.15Å; D39-C42 CarbonylContact O-C 3.46Å; D39-C42 PolarHBondContact O-N 2.75Å; D39-L43 PolarHBondContact O-N 3.19Å
40	L	92.8	Very high	95.3	Very high	82 Å²	82	35.5 Å²	35.5	43%	0.429	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-60.8	-20.9	-178.1	-56.7	-177.3	0	0	0	113	S38 C42 L43	S38-L40 PolarHBondContact O-N 3.08Å; L40-C42 PolarHBondContact O-N 2.88Å; L40-L43 HydrophobicContact CD2-CD1 3.95Å
41	S	94.9	Very high	95.3	Very high	98 Å²	98	35.2 Å²	35.2	69%	0.685	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-69.8	-21.6	174.6	76.7	0	0	0	0	112.7	D39	D39-S41 VanDerWaalsContact CG-OG 3.22Å; D39-S41 PolarHBondContact O-N 3.13Å; D39-S41 VanDerWaalsContact O-N 3.09Å; D39-S41 VanDerWaalsContact OD1-CB 3.28Å; D39-S41 WeakPolarHBondContact OD1-CB 3.3Å; D39-S41 PolarHBondContact OD1-N 2.92Å; D39-S41 PolarHBondContact OD1-OG 3.38Å; D39-S41 PolarHBondContact OD2-OG 3.15Å
42	C	94.9	Very high	95.3	Very high	61 Å²	61	41.5 Å²	41.5	41%	0.412	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-123.9	26.9	-176.4	-63.4	0	0	0	0	112.4	D39 L40 G44 S45 E46	D39-C42 CarbonylContact O-C 3.46Å; D39-C42 PolarHBondContact O-N 2.75Å; L40-C42 PolarHBondContact O-N 2.88Å; C42-G44 VanDerWaalsContact C-N 3.26Å; C42-G44 PolarHBondContact O-N 3.2Å; C42-G44 VanDerWaalsContact O-N 3.08Å; C42-S45 PolarHBondContact O-N 3.42Å; C42-E46 PolarHBondContact O-N 3.34Å; C42-E46 VanDerWaalsContact O-N 3.15Å
43	L	95.7	Very high	95.3	Very high	9 Å²	9	42.4 Å²	42.4	5%	0.047	25%	0.245	C	C	.	.	H	α-helix	trans	-54.9	-35.6	-168	-162.9	61.9	0	0	0	114.7	I35 S38 D39 L40 E46 C47 M77 L81	I35-L43 HydrophobicContact CB-CD1 3.94Å; I35-L43 HydrophobicContact CD1-CD1 3.49Å; I35-L43 VanDerWaalsContact CD1-CD1 3.49Å; I35-L43 HydrophobicContact CD1-CD2 3.82Å; I35-L43 HydrophobicContact CD1-CG 3.66Å; I35-L43 HydrophobicContact CG1-CD1 3.82Å; I35-L43 HydrophobicContact CG1-CG 4.49Å; S38-L43 WeakPolarHBondContact OG-CD1 3.42Å; D39-L43 PolarHBondContact O-N 3.19Å; L40-L43 HydrophobicContact CD2-CD1 3.95Å; L43-E46 PolarHBondContact O-N 3.12Å; L43-C47 WeakPolarHBondContact O-CB 3.32Å; L43-C47 PolarHBondContact O-N 3.38Å; L43-C47 PolarHBondContact O-SG 3.46Å; L43-M77 HydrophobicContact CD2-CG 4.21Å; L43-M77 HydrophobicContact CD2-SD 3.43Å; L43-M77 WeakPolarHBondContact CD2-SD 3.39Å; L43-L81 HydrophobicContact CB-CD2 4.2Å; L43-L81 HydrophobicContact CD2-CD1 3.93Å; L43-L81 HydrophobicContact CD2-CD2 4.24Å; L43-L81 HydrophobicContact CG-CD1 4.36Å; L43-L81 HydrophobicContact CG-CD2 4Å
44	G	96.6	Very high	95.3	Very high	15 Å²	15	43.7 Å²	43.7	16%	0.155	26%	0.258	C	S	.	.	H	α-helix	trans	-62.1	-44.5	176.8	0	0	0	0	0	112.8	C42 C47 V48	C42-G44 VanDerWaalsContact C-N 3.26Å; C42-G44 PolarHBondContact O-N 3.2Å; C42-G44 VanDerWaalsContact O-N 3.08Å; G44-C47 PolarHBondContact O-N 3.2Å; G44-V48 WeakPolarHBondContact O-CG2 3.49Å; G44-V48 PolarHBondContact O-N 3.47Å; G44-V48 VanDerWaalsContact O-N 3.12Å
45	S	97.3	Very high	95.4	Very high	85 Å²	85	43.8 Å²	43.8	59%	0.594	26%	0.259	S	S	*	.	H	α-helix	trans	-67.7	-38.6	176.7	-61.7	0	0	0	0	111.6	C42 V48 R49	C42-S45 PolarHBondContact O-N 3.42Å; S45-V48 PolarHBondContact O-N 2.96Å; S45-R49 WeakPolarHBondContact O-CB 3.49Å; S45-R49 PolarHBondContact O-N 2.95Å
46	E	97.2	Very high	95.7	Very high	32 Å²	32	46.9 Å²	46.9	15%	0.15	28%	0.276	C	S	.	.	H	α-helix	trans	-63.1	-41.3	175.3	-74.4	-68.3	103.7	0	0	112	C42 L43 R49 M50	C42-E46 PolarHBondContact O-N 3.34Å; C42-E46 VanDerWaalsContact O-N 3.15Å; L43-E46 PolarHBondContact O-N 3.12Å; E46-R49 WeakPolarHBondContact O-CB 3.42Å; E46-R49 PolarHBondContact O-N 3.03Å; E46-R49 IonicContact OE1-CZ 3.94Å; E46-R49 IonicContact OE1-NE 3.96Å; E46-R49 PolarHBondContact OE1-NE 2.84Å; E46-R49 IonicContact OE1-NH2 2.87Å; E46-R49 IonicContact OE2-CZ 3.89Å; E46-R49 IonicContact OE2-NE 3.96Å; E46-R49 IonicContact OE2-NH2 3.38Å; E46-R49 PolarHBondContact OE2-NH2 3.27Å; E46-M50 WeakPolarHBondContact O-CG 3.4Å; E46-M50 PolarHBondContact O-N 3.24Å
47	C	97.8	Very high	96.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.2	-48	174.4	-70	0	0	0	0	112	I35 L43 G44 R49 M50 M51 L58 V85	I35-C47 WeakPolarHBondContact CD1-SG 3.38Å; L43-C47 WeakPolarHBondContact O-CB 3.32Å; L43-C47 PolarHBondContact O-N 3.38Å; L43-C47 PolarHBondContact O-SG 3.46Å; G44-C47 PolarHBondContact O-N 3.2Å; C47-R49 VanDerWaalsContact C-N 3.33Å; C47-R49 PolarHBondContact O-N 3.33Å; C47-M50 PolarHBondContact O-N 3.14Å; C47-M51 WeakPolarHBondContact O-CG 3.36Å; C47-M51 PolarHBondContact O-N 2.85Å; C47-L58 HydrophobicContact CB-CD1 3.65Å; C47-V85 HydrophobicContact CB-CG2 3.48Å; C47-V85 VanDerWaalsContact CB-CG2 3.48Å
48	V	98	Very high	96.8	Very high	47 Å²	47	43.2 Å²	43.2	29%	0.285	25%	0.252	S	S	.	.	H	α-helix	trans	-59.3	-46.7	177	171.7	0	0	0	0	110.4	G44 S45 M50 M51 E52 T84 V85	G44-V48 WeakPolarHBondContact O-CG2 3.49Å; G44-V48 PolarHBondContact O-N 3.47Å; G44-V48 VanDerWaalsContact O-N 3.12Å; S45-V48 PolarHBondContact O-N 2.96Å; V48-M50 VanDerWaalsContact C-N 3.32Å; V48-M50 PolarHBondContact O-N 2.8Å; V48-M51 PolarHBondContact O-N 3.33Å; V48-E52 HydrophobicContact CG1-CG 4.33Å; V48-E52 WeakPolarHBondContact O-CG 3.21Å; V48-E52 PolarHBondContact O-N 3.26Å; V48-T84 HydrophobicContact CG2-CG2 4.43Å; V48-V85 HydrophobicContact CG2-CG2 4.25Å
49	R	97.7	Very high	97.1	Very high	70 Å²	70	42.6 Å²	42.6	26%	0.264	25%	0.248	S	C	.	.	H	α-helix	trans	-55.3	-45.9	176.5	-175	177.2	73.9	96.5	-1.1	111.8	S45 E46 C47 E52 C53 I225	S45-R49 WeakPolarHBondContact O-CB 3.49Å; S45-R49 PolarHBondContact O-N 2.95Å; E46-R49 WeakPolarHBondContact O-CB 3.42Å; E46-R49 PolarHBondContact O-N 3.03Å; E46-R49 IonicContact OE1-CZ 3.94Å; E46-R49 IonicContact OE1-NE 3.96Å; E46-R49 PolarHBondContact OE1-NE 2.84Å; E46-R49 IonicContact OE1-NH2 2.87Å; E46-R49 IonicContact OE2-CZ 3.89Å; E46-R49 IonicContact OE2-NE 3.96Å; E46-R49 IonicContact OE2-NH2 3.38Å; E46-R49 PolarHBondContact OE2-NH2 3.27Å; C47-R49 VanDerWaalsContact C-N 3.33Å; C47-R49 PolarHBondContact O-N 3.33Å; R49-E52 PolarHBondContact O-N 2.89Å; R49-C53 WeakPolarHBondContact O-CB 3.24Å; R49-C53 PolarHBondContact O-N 3.35Å; R49-C53 PolarHBondContact O-SG 3.28Å; R49-C53 VanDerWaalsContact O-SG 3.33Å; R49-I225 PolarHBondContact NH2-O 3.35Å
50	M	98.3	Very high	97.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-63.8	-43.1	178.2	-72.5	-52.2	96.7	0	0	112.8	P33 E46 C47 V48 C53 G54 A55 L58 V224 I225 P230	P33-M50 HydrophobicContact CB-CB 4.44Å; P33-M50 HydrophobicContact CB-CG 3.97Å; P33-M50 HydrophobicContact CB-SD 4.01Å; P33-M50 HydrophobicContact CG-CB 4.14Å; P33-M50 HydrophobicContact CG-CG 4.1Å; P33-M50 HydrophobicContact CG-SD 3.99Å; E46-M50 WeakPolarHBondContact O-CG 3.4Å; E46-M50 PolarHBondContact O-N 3.24Å; C47-M50 PolarHBondContact O-N 3.14Å; V48-M50 VanDerWaalsContact C-N 3.32Å; V48-M50 PolarHBondContact O-N 2.8Å; M50-C53 PolarHBondContact O-N 2.93Å; M50-G54 PolarHBondContact O-N 3.43Å; M50-A55 HydrophobicContact CB-CB 4.37Å; M50-A55 VanDerWaalsContact O-CB 3.24Å; M50-A55 WeakPolarHBondContact O-CB 3.42Å; M50-A55 PolarHBondContact O-N 3.31Å; M50-L58 HydrophobicContact CB-CD2 3.9Å; M50-V224 HydrophobicContact SD-CG1 3.75Å; M50-I225 HydrophobicContact CE-CD1 4.3Å; M50-I225 HydrophobicContact CG-CD1 3.77Å; M50-I225 HydrophobicContact SD-CD1 3.58Å; M50-I225 VanDerWaalsContact SD-CD1 3.58Å; M50-P230 HydrophobicContact CE-CB 3.92Å; M50-P230 HydrophobicContact CE-CG 3.97Å; M50-P230 HydrophobicContact SD-CB 4.39Å
51	M	98.3	Very high	97.7	Very high	47 Å²	47	34.5 Å²	34.5	23%	0.232	21%	0.205	C	C	.	.	H	α-helix	trans	-62.4	-43.8	175.2	-65.4	-51.4	-56.7	0	0	111.5	C47 V48 C53 G54 A55 L58 V85 P89	C47-M51 WeakPolarHBondContact O-CG 3.36Å; C47-M51 PolarHBondContact O-N 2.85Å; V48-M51 PolarHBondContact O-N 3.33Å; M51-C53 VanDerWaalsContact C-N 3.33Å; M51-C53 PolarHBondContact O-N 3.02Å; M51-G54 WeakPolarHBondContact O-CA 3.43Å; M51-G54 PolarHBondContact O-N 3.44Å; M51-A55 WeakPolarHBondContact CE-O 3.36Å; M51-A55 HydrophobicContact SD-CB 4.12Å; M51-L58 HydrophobicContact CG-CD1 4.15Å; M51-L58 HydrophobicContact CG-CD2 4.48Å; M51-L58 HydrophobicContact CG-CG 4.35Å; M51-L58 HydrophobicContact SD-CD1 4.13Å; M51-L58 HydrophobicContact SD-CD2 4.08Å; M51-L58 HydrophobicContact SD-CG 3.75Å; M51-V85 HydrophobicContact CG-CG1 4.4Å; M51-P89 HydrophobicContact CE-CB 3.87Å; M51-P89 HydrophobicContact CE-CG 4.11Å; M51-P89 HydrophobicContact CG-CB 4.2Å; M51-P89 HydrophobicContact CG-CG 4.23Å; M51-P89 HydrophobicContact SD-CB 4.02Å
52	E	98.1	Very high	97.9	Very high	132 Å²	132	30.2 Å²	30.2	62%	0.617	17%	0.174	S	C	*	.	H	α-helix	trans	-63.3	-38	176.3	-72.2	178.7	167.8	0	0	112.3	V48 R49 G54 R231	V48-E52 HydrophobicContact CG1-CG 4.33Å; V48-E52 WeakPolarHBondContact O-CG 3.21Å; V48-E52 PolarHBondContact O-N 3.26Å; R49-E52 PolarHBondContact O-N 2.89Å; E52-G54 PolarHBondContact O-N 2.56Å; E52-G54 VanDerWaalsContact O-N 3.14Å; E52-R231 PolarHBondContact O-NH1 3.38Å; E52-R231 PolarHBondContact O-NH2 2.73Å
53	C	98.4	Very high	98	Very high	19 Å²	19	27.6 Å²	27.6	13%	0.128	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-6.1	172.2	-75.3	0	0	0	0	113.4	R49 M50 M51 P230 R231 I234	R49-C53 WeakPolarHBondContact O-CB 3.24Å; R49-C53 PolarHBondContact O-N 3.35Å; R49-C53 PolarHBondContact O-SG 3.28Å; R49-C53 VanDerWaalsContact O-SG 3.33Å; M50-C53 PolarHBondContact O-N 2.93Å; M51-C53 VanDerWaalsContact C-N 3.33Å; M51-C53 PolarHBondContact O-N 3.02Å; C53-P230 HydrophobicContact CB-CB 4.32Å; C53-R231 HydrophobicContact CB-CB 4.17Å; C53-R231 WeakPolarHBondContact O-CG 3.49Å; C53-R231 PolarHBondContact O-NH1 2.96Å; C53-I234 HydrophobicContact CB-CD1 4.04Å
54	G	98.2	Very high	98.2	Very high	26 Å²	26	28.7 Å²	28.7	27%	0.268	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.9	29.3	173.2	0	0	0	0	0	113.4	M50 M51 E52 R238	M50-G54 PolarHBondContact O-N 3.43Å; M51-G54 WeakPolarHBondContact O-CA 3.43Å; M51-G54 PolarHBondContact O-N 3.44Å; E52-G54 PolarHBondContact O-N 2.56Å; E52-G54 VanDerWaalsContact O-N 3.14Å; G54-R238 PolarHBondContact O-NH2 3.32Å
55	A	98.4	Very high	98.3	Very high	9 Å²	9	29.5 Å²	29.5	7%	0.074	17%	0.17	C	C	.	.			trans	-59.1	143	165.3	0	0	0	0	0	110.9	P33 M50 M51 I234	P33-A55 VanDerWaalsContact CD-CB 3.47Å; P33-A55 HydrophobicContact CG-CB 3.81Å; M50-A55 HydrophobicContact CB-CB 4.37Å; M50-A55 VanDerWaalsContact O-CB 3.24Å; M50-A55 WeakPolarHBondContact O-CB 3.42Å; M50-A55 PolarHBondContact O-N 3.31Å; M51-A55 WeakPolarHBondContact CE-O 3.36Å; M51-A55 HydrophobicContact SD-CB 4.12Å; A55-I234 HydrophobicContact CB-CD1 4.44Å
56	D	98.6	Very high	98.3	Very high	66 Å²	66	32.9 Å²	32.9	35%	0.353	18%	0.177	S	C	.	.	S	Bend	trans	-85.7	-27.6	177.6	-61.7	-76.8	0	0	0	111.3	K30 I31 R238	K30-D56 WeakPolarHBondContact CA-OD2 3.35Å; K30-D56 HydrophobicContact CB-CB 3.98Å; K30-D56 HydrophobicContact CG-CB 4.41Å; I31-D56 PolarHBondContact N-OD2 3.39Å; I31-D56 PolarHBondContact O-N 3.49Å; D56-R238 IonicContact OD1-NE 3.52Å; D56-R238 IonicContact OD1-NH2 3.52Å; D56-R238 IonicContact OD2-CZ 3.54Å; D56-R238 IonicContact OD2-NE 3.57Å; D56-R238 PolarHBondContact OD2-NE 3.44Å; D56-R238 IonicContact OD2-NH2 2.75Å; D56-R238 PolarHBondContact OD2-NH2 2.94Å
57	Y	98.8	Very high	98.4	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.016	18%	0.177	C	C	.	.			trans	-154.7	170.6	175.7	63.2	-75.4	0	0	0	110.3	K30 I31 G32 P33 H59 F90 D92 E197 M217 I218	K30-Y57 HydrophobicContact CB-CD1 4.18Å; K30-Y57 HydrophobicContact CB-CE1 3.9Å; I31-Y57 VanDerWaalsContact C-CE1 3.46Å; G32-Y57 VanDerWaalsContact CA-CE1 3.42Å; G32-Y57 WeakPolarHBondContact CA-O 3.43Å; P33-Y57 VanDerWaalsContact CD-O 3.31Å; P33-Y57 WeakPolarHBondContact CD-O 3.08Å; Y57-H59 HydrophobicContact CE2-CB 4.16Å; Y57-F90 WeakPolarHBondContact CA-O 3.3Å; Y57-F90 WeakPolarHBondContact CB-O 3.42Å; Y57-F90 HydrophobicContact CG-CD1 4.46Å; Y57-D92 HydrophobicContact CD2-CB 3.76Å; Y57-D92 HydrophobicContact CE2-CB 4.04Å; Y57-E197 VanDerWaalsContact CE2-OE1 3.25Å; Y57-E197 WeakPolarHBondContact CE2-OE1 3.28Å; Y57-E197 PolarHBondContact OH-OE1 2.76Å; Y57-M217 HydrophobicContact CD1-CE 4.17Å; Y57-M217 HydrophobicContact CE1-CE 3.66Å; Y57-M217 HydrophobicContact CE2-CE 4.07Å; Y57-I218 PolarHBondContact OH-N 3.1Å
58	L	98.7	Very high	98.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	128.1	169.7	-65.3	170	0	0	0	108.8	I35 C47 M50 M51 V85 F90 F91 D92	I35-L58 HydrophobicContact CG2-CD2 4.12Å; C47-L58 HydrophobicContact CB-CD1 3.65Å; M50-L58 HydrophobicContact CB-CD2 3.9Å; M51-L58 HydrophobicContact CG-CD1 4.15Å; M51-L58 HydrophobicContact CG-CD2 4.48Å; M51-L58 HydrophobicContact CG-CG 4.35Å; M51-L58 HydrophobicContact SD-CD1 4.13Å; M51-L58 HydrophobicContact SD-CD2 4.08Å; M51-L58 HydrophobicContact SD-CG 3.75Å; L58-V85 HydrophobicContact CD1-CG1 4.18Å; L58-F90 PolarHBondContact N-O 3.43Å; L58-F91 HydrophobicContact CB-CD1 4.23Å; L58-F91 HydrophobicContact CD1-CD1 4.23Å; L58-F91 HydrophobicContact CD1-CE1 3.74Å; L58-D92 PolarHBondContact O-N 2.99Å
59	H	98.8	Very high	98.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	123	176.5	-173.2	92.6	0	0	0	109.3	P33 I35 Y57 D61 D92 H94 E197 V219	P33-H59 PolarHBondContact O-N 2.93Å; P33-H59 VanDerWaalsContact O-N 3.12Å; I35-H59 PolarHBondContact N-O 3.36Å; Y57-H59 HydrophobicContact CE2-CB 4.16Å; H59-D61 IonicContact CD2-OD1 2.88Å; H59-D61 IonicContact CD2-OD2 3.46Å; H59-D61 IonicContact NE2-OD1 3.65Å; H59-D92 IonicContact CE1-OD2 3.56Å; H59-D92 PolarHBondContact CE1-OD2 3.33Å; H59-D92 IonicContact CG-OD2 3.85Å; H59-D92 IonicContact ND1-OD2 3.57Å; H59-D92 PolarHBondContact ND1-OD2 2.95Å; H59-H94 VanDerWaalsContact CE1-CB 3.45Å; H59-H94 WeakPolarHBondContact CE1-CB 3.28Å; H59-H94 AromaticContact CE1-CG 3.91Å; H59-H94 AromaticContact CE1-ND1 3.94Å; H59-H94 VanDerWaalsContact NE2-CB 3.33Å; H59-H94 WeakPolarHBondContact NE2-CB 3.29Å; H59-H94 AromaticContact NE2-CG 3.72Å; H59-H94 AromaticContact NE2-ND1 3.45Å; H59-H94 PolarHBondContact NE2-ND1 3.32Å; H59-E197 IonicContact CE1-OE2 3.46Å; H59-E197 IonicContact ND1-OE1 2.79Å; H59-E197 IonicContact ND1-OE2 3.53Å; H59-V219 HydrophobicContact CB-CG1 3.98Å; H59-V219 HydrophobicContact CB-CG2 4.14Å; H59-V219 WeakPolarHBondContact ND1-CG2 3.44Å
60	L	98.4	Very high	98.4	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	100.6	-168.9	-61.1	-176.8	0	0	0	110.5	I35 V62 F73 V78 L81 F91 D92 M93 H94	I35-L60 HydrophobicContact CD1-CD2 3.03Å; I35-L60 HydrophobicContact CG1-CD2 3.54Å; L60-V62 PolarHBondContact O-N 3.18Å; L60-F73 HydrophobicContact CB-CE2 4.26Å; L60-F73 HydrophobicContact CB-CZ 4.17Å; L60-F73 HydrophobicContact CD2-CZ 4.37Å; L60-V78 HydrophobicContact CD1-CG2 4.48Å; L60-L81 HydrophobicContact CD1-CD1 4.5Å; L60-L81 HydrophobicContact CD2-CD1 4.22Å; L60-F91 HydrophobicContact CD1-CB 4.03Å; L60-F91 HydrophobicContact CD1-CD2 3.74Å; L60-F91 HydrophobicContact CD1-CE2 4.34Å; L60-F91 HydrophobicContact CD1-CG 3.85Å; L60-D92 PolarHBondContact N-O 2.99Å; L60-M93 HydrophobicContact CB-CE 3.5Å; L60-M93 HydrophobicContact CB-SD 3.85Å; L60-M93 HydrophobicContact CD1-CE 3.92Å; L60-M93 HydrophobicContact CD1-SD 3.5Å; L60-M93 WeakPolarHBondContact CD1-SD 3.41Å; L60-M93 HydrophobicContact CG-CE 4.32Å; L60-M93 HydrophobicContact CG-SD 4.18Å; L60-H94 PolarHBondContact O-N 2.64Å
61	D	98.4	Very high	98.4	Very high	5 Å²	5	41 Å²	41	3%	0.027	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	107.6	179.7	-66.5	-73.4	0	0	0	112.6	S34 L36 H59 M63 T72 H94 M96	S34-D61 PolarHBondContact OG-OD2 3Å; L36-D61 HydrophobicContact CB-CB 4.23Å; L36-D61 HydrophobicContact CD2-CB 4.02Å; H59-D61 IonicContact CD2-OD1 2.88Å; H59-D61 IonicContact CD2-OD2 3.46Å; H59-D61 IonicContact NE2-OD1 3.65Å; D61-M63 HydrophobicContact CB-CE 4.23Å; D61-T72 WeakPolarHBondContact O-CB 3.31Å; D61-T72 PolarHBondContact O-OG1 3.22Å; D61-H94 IonicContact OD1-ND1 3.77Å; D61-H94 PolarHBondContact OD1-ND1 2.95Å; D61-M96 HydrophobicContact CB-CE 3.69Å; D61-M96 WeakPolarHBondContact OD1-CE 3.27Å
62	V	98.6	Very high	98.4	Very high	7 Å²	7	40.2 Å²	40.2	4%	0.042	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	114.9	-179.8	173.4	0	0	0	0	110.2	L60 T72 F73 M93 H94 M95 M96 V97 M107	L60-V62 PolarHBondContact O-N 3.18Å; V62-T72 WeakPolarHBondContact CA-OG1 3.31Å; V62-F73 WeakPolarHBondContact CG1-O 3.36Å; V62-F73 HydrophobicContact CG2-CD2 4.13Å; V62-F73 HydrophobicContact CG2-CE2 3.8Å; V62-M93 HydrophobicContact CG2-CE 3.48Å; V62-M93 VanDerWaalsContact CG2-CE 3.48Å; V62-H94 PolarHBondContact N-O 3.48Å; V62-M95 HydrophobicContact CB-CE 4.12Å; V62-M95 HydrophobicContact CB-SD 3.82Å; V62-M95 HydrophobicContact CG1-CE 3.66Å; V62-M95 HydrophobicContact CG1-SD 4.05Å; V62-M95 HydrophobicContact CG2-SD 4.06Å; V62-M96 CarbonylContact O-C 3.57Å; V62-M96 WeakPolarHBondContact O-CA 3.4Å; V62-M96 WeakPolarHBondContact O-CB 3.45Å; V62-M96 PolarHBondContact O-N 2.87Å; V62-V97 HydrophobicContact CG1-CG1 3.9Å; V62-M107 HydrophobicContact CB-CE 4.37Å; V62-M107 HydrophobicContact CG1-CE 3.92Å; V62-M107 HydrophobicContact CG2-CE 3.74Å
63	M	98.7	Very high	98.4	Very high	7 Å²	7	34.9 Å²	34.9	3%	0.034	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	133	-175	-54.1	-178.6	-175.7	0	0	111.4	L36 D61 V68 N70 T72 M96	L36-M63 HydrophobicContact CD2-CE 3.65Å; D61-M63 HydrophobicContact CB-CE 4.23Å; M63-V68 HydrophobicContact CB-CG2 3.63Å; M63-V68 HydrophobicContact CG-CG2 3.65Å; M63-V68 HydrophobicContact SD-CG2 3.84Å; M63-N70 VanDerWaalsContact CB-O 3.27Å; M63-N70 WeakPolarHBondContact CB-O 3.35Å; M63-N70 HydrophobicContact SD-CB 3.74Å; M63-T72 HydrophobicContact CB-CG2 4.04Å; M63-T72 HydrophobicContact CE-CG2 4.21Å; M63-T72 HydrophobicContact CG-CG2 3.76Å; M63-T72 PolarHBondContact N-OG1 2.98Å; M63-T72 PolarHBondContact O-N 3.26Å; M63-T72 HydrophobicContact SD-CG2 3.61Å; M63-M96 HydrophobicContact CE-CE 3.34Å; M63-M96 HydrophobicContact CE-SD 3.83Å; M63-M96 HydrophobicContact CG-CB 4.13Å; M63-M96 HydrophobicContact CG-CE 3.84Å; M63-M96 HydrophobicContact CG-SD 4.3Å; M63-M96 HydrophobicContact SD-CE 4.39Å
64	D	98.7	Very high	98.4	Very high	32 Å²	32	35.3 Å²	35.3	17%	0.171	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-102.1	3.9	-175.6	73.5	-10.9	0	0	0	115	H66 F67 V97 S98	D64-H66 PolarHBondContact O-N 3.47Å; D64-H66 PolarHBondContact O-ND1 2.99Å; D64-H66 WeakPolarHBondContact OD1-CA 3.45Å; D64-H66 PolarHBondContact OD1-N 3.43Å; D64-F67 PolarHBondContact OD1-N 2.89Å; D64-V97 HydrophobicContact CB-CB 4.11Å; D64-V97 HydrophobicContact CB-CG1 3.91Å; D64-S98 WeakPolarHBondContact OD2-CB 3.34Å; D64-S98 PolarHBondContact OD2-N 3.44Å; D64-S98 PolarHBondContact OD2-OG 3.33Å
65	G	98.6	Very high	98.4	Very high	31 Å²	31	36.8 Å²	36.8	32%	0.32	21%	0.207	S	C	.	.	S	Bend	trans	70.9	2.4	-176.4	0	0	0	0	0	115.1	V68 N70	G65-V68 CarbonylContact C-O 3.6Å; G65-V68 VanDerWaalsContact CA-O 3.23Å; G65-V68 WeakPolarHBondContact CA-O 3.42Å; G65-N70 WeakPolarHBondContact CA-O 3.38Å; G65-N70 PolarHBondContact N-O 3.19Å
66	H	98.6	Very high	98.4	Very high	157 Å²	157	39.8 Å²	39.8	73%	0.727	23%	0.226	S	C	*	.	S	Bend	trans	-114	-51.1	-179.5	-66.8	73.9	0	0	0	111.5	D64 V68	D64-H66 PolarHBondContact O-N 3.47Å; D64-H66 PolarHBondContact O-ND1 2.99Å; D64-H66 WeakPolarHBondContact OD1-CA 3.45Å; D64-H66 PolarHBondContact OD1-N 3.43Å; H66-V68 PolarHBondContact N-O 3.44Å
67	F	98.8	Very high	98.4	Very high	37 Å²	37	40 Å²	40	16%	0.162	23%	0.226	C	C	.	.	S	Bend	trans	-71.1	-36.9	177.2	-177.4	-105.4	0	0	0	111.8	D64 M96 V97 H118 E120 A121 K144	D64-F67 PolarHBondContact OD1-N 2.89Å; F67-M96 HydrophobicContact CD1-CB 4.07Å; F67-V97 VanDerWaalsContact CB-C 3.47Å; F67-H118 HydrophobicContact CE1-CB 3.72Å; F67-H118 AromaticContact CE1-CD2 3.51Å; F67-H118 AromaticContact CE1-CG 3.38Å; F67-H118 AromaticContact CE1-ND1 3.85Å; F67-H118 HydrophobicContact CE2-CB 4.21Å; F67-H118 HydrophobicContact CZ-CB 3.41Å; F67-H118 VanDerWaalsContact CZ-CB 3.41Å; F67-H118 AromaticContact CZ-CG 3.47Å; F67-H118 VanDerWaalsContact CZ-CG 3.47Å; F67-H118 AromaticContact CZ-ND1 3.8Å; F67-E120 HydrophobicContact CE2-CB 4.06Å; F67-E120 HydrophobicContact CZ-CB 4.2Å; F67-A121 HydrophobicContact CD2-CB 3.97Å; F67-A121 HydrophobicContact CE2-CB 3.8Å; F67-A121 HydrophobicContact CZ-CB 4.39Å; F67-K144 HydrophobicContact CE1-CD 4.36Å; F67-K144 HydrophobicContact CZ-CD 4.1Å
68	V	98.5	Very high	98.4	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.024	23%	0.225	C	C	.	.	S	Bend	trans	-128.1	151.7	172.2	-66.1	0	0	0	0	109.6	M63 G65 H66 N70 M96 P169	M63-V68 HydrophobicContact CB-CG2 3.63Å; M63-V68 HydrophobicContact CG-CG2 3.65Å; M63-V68 HydrophobicContact SD-CG2 3.84Å; G65-V68 CarbonylContact C-O 3.6Å; G65-V68 VanDerWaalsContact CA-O 3.23Å; G65-V68 WeakPolarHBondContact CA-O 3.42Å; H66-V68 PolarHBondContact N-O 3.44Å; V68-N70 PolarHBondContact O-N 3.26Å; V68-M96 HydrophobicContact CG1-CB 4.12Å; V68-M96 HydrophobicContact CG1-CG 4.44Å; V68-M96 HydrophobicContact CG1-SD 4.36Å; V68-M96 HydrophobicContact CG2-CB 3.95Å; V68-P169 HydrophobicContact CG1-CB 3.84Å; V68-P169 HydrophobicContact CG1-CG 3.97Å
69	P	97.4	Very high	98.4	Very high	101 Å²	101	43.8 Å²	43.8	66%	0.656	24%	0.244	S	C	*	.	S	Bend	trans	-81.2	46.1	-174.7	35.6	-38.7	0	0	0	112.9	F171	P69-F171 HydrophobicContact CG-CE2 3.85Å; P69-F171 HydrophobicContact CG-CZ 4.29Å; P69-F171 WeakPolarHBondContact O-CZ 3.4Å
70	N	97.7	Very high	98.3	Very high	51 Å²	51	47.3 Å²	47.3	27%	0.273	27%	0.268	S	S	.	.			trans	-153.6	158.1	177.3	-167.5	13.8	0	0	0	110.5	M63 G65 V68 G170 F171	M63-N70 VanDerWaalsContact CB-O 3.27Å; M63-N70 WeakPolarHBondContact CB-O 3.35Å; M63-N70 HydrophobicContact SD-CB 3.74Å; G65-N70 WeakPolarHBondContact CA-O 3.38Å; G65-N70 PolarHBondContact N-O 3.19Å; V68-N70 PolarHBondContact O-N 3.26Å; N70-G170 VanDerWaalsContact CB-O 3.24Å; N70-G170 WeakPolarHBondContact CB-O 3.5Å; N70-G170 PolarHBondContact ND2-O 3.49Å; N70-F171 HydrophobicContact CB-CE1 4.21Å; N70-F171 HydrophobicContact CB-CZ 4.39Å
71	I	98.3	Very high	98.3	Very high	125 Å²	125	47.7 Å²	47.7	64%	0.641	27%	0.27	S	S	*	.	B	Isolated β-bridge	trans	-127.7	126.9	177.5	-59.6	172	0	0	0	107.8
72	T	97.6	Very high	98.3	Very high	31 Å²	31	48 Å²	48	19%	0.19	27%	0.27	C	S	.	.			trans	-108.5	-89.1	-179.4	55.2	0	0	0	0	110.8	L36 D61 V62 M63	L36-T72 HydrophobicContact CD1-CG2 3.46Å; L36-T72 VanDerWaalsContact CD1-CG2 3.46Å; L36-T72 HydrophobicContact CD2-CG2 4.18Å; L36-T72 HydrophobicContact CG-CG2 4.48Å; D61-T72 WeakPolarHBondContact O-CB 3.31Å; D61-T72 PolarHBondContact O-OG1 3.22Å; V62-T72 WeakPolarHBondContact CA-OG1 3.31Å; M63-T72 HydrophobicContact CB-CG2 4.04Å; M63-T72 HydrophobicContact CE-CG2 4.21Å; M63-T72 HydrophobicContact CG-CG2 3.76Å; M63-T72 PolarHBondContact N-OG1 2.98Å; M63-T72 PolarHBondContact O-N 3.26Å; M63-T72 HydrophobicContact SD-CG2 3.61Å
73	F	98	Very high	98.2	Very high	20 Å²	20	54.5 Å²	54.5	9%	0.088	30%	0.298	C	S	.	.			trans	-153.9	167.9	-179	53.3	-100.5	0	0	0	109.9	L60 V62 M77	L60-F73 HydrophobicContact CB-CE2 4.26Å; L60-F73 HydrophobicContact CB-CZ 4.17Å; L60-F73 HydrophobicContact CD2-CZ 4.37Å; V62-F73 WeakPolarHBondContact CG1-O 3.36Å; V62-F73 HydrophobicContact CG2-CD2 4.13Å; V62-F73 HydrophobicContact CG2-CE2 3.8Å; F73-M77 HydrophobicContact CB-CB 3.85Å; F73-M77 HydrophobicContact CB-CE 3.79Å; F73-M77 HydrophobicContact CB-CG 4.19Å; F73-M77 HydrophobicContact CB-SD 3.36Å; F73-M77 WeakPolarHBondContact CB-SD 3.43Å; F73-M77 HydrophobicContact CD1-SD 3.53Å; F73-M77 VanDerWaalsContact CD1-SD 3.53Å; F73-M77 HydrophobicContact CD2-CB 4.09Å; F73-M77 HydrophobicContact CD2-CG 4.31Å; F73-M77 HydrophobicContact CD2-SD 4.01Å; F73-M77 HydrophobicContact CE1-SD 4.32Å; F73-M77 HydrophobicContact CG-CB 4.15Å; F73-M77 HydrophobicContact CG-CE 4.42Å; F73-M77 HydrophobicContact CG-CG 4.19Å; F73-M77 HydrophobicContact CG-SD 3.35Å; F73-M77 WeakPolarHBondContact CG-SD 3.45Å
74	G	98.4	Very high	98.1	Very high	29 Å²	29	58.3 Å²	58.3	30%	0.299	32%	0.322	S	S	.	.			trans	-121.1	-170.4	177.1	0	0	0	0	0	113	P76 M77 V78	G74-P76 VanDerWaalsContact C-N 3.27Å; G74-P76 WeakPolarHBondContact O-CD 3.39Å; G74-P76 VanDerWaalsContact O-N 3.11Å; G74-M77 WeakPolarHBondContact O-CB 3.34Å; G74-M77 PolarHBondContact O-N 3.18Å; G74-V78 PolarHBondContact O-N 3.47Å
75	H	98.6	Very high	97.9	Very high	56 Å²	56	57.8 Å²	57.8	26%	0.259	32%	0.32	S	S	.	.	H	α-helix	trans	-52.3	-29.2	179.4	67.1	86.2	0	0	0	115.7	M77 V78 E79 P106 M107 A110	H75-M77 VanDerWaalsContact C-N 3.28Å; H75-M77 PolarHBondContact O-N 3.48Å; H75-V78 WeakPolarHBondContact O-CB 3.45Å; H75-V78 PolarHBondContact O-N 3.41Å; H75-E79 PolarHBondContact O-N 3.04Å; H75-P106 HydrophobicContact CB-CB 4.09Å; H75-P106 VanDerWaalsContact CD2-CB 3.49Å; H75-P106 WeakPolarHBondContact CD2-CB 3.5Å; H75-M107 HydrophobicContact CB-CE 4.02Å; H75-M107 HydrophobicContact CB-CG 4.37Å; H75-M107 HydrophobicContact CB-SD 3.56Å; H75-M107 VanDerWaalsContact CB-SD 3.56Å; H75-A110 HydrophobicContact CB-CB 4.14Å; H75-A110 WeakPolarHBondContact O-CB 3.23Å
76	P	98.6	Very high	97.8	Very high	73 Å²	73	57.7 Å²	57.7	47%	0.474	32%	0.319	S	S	.	.	H	α-helix	trans	-63.1	-34	175.1	-23.1	36.2	0	0	0	112.9	G74 C80	G74-P76 VanDerWaalsContact C-N 3.27Å; G74-P76 WeakPolarHBondContact O-CD 3.39Å; G74-P76 VanDerWaalsContact O-N 3.11Å; P76-C80 PolarHBondContact O-N 3.36Å; P76-C80 PolarHBondContact O-SG 3.46Å; P76-C80 VanDerWaalsContact O-SG 3.38Å
77	M	98	Very high	97.6	Very high	70 Å²	70	57 Å²	57	35%	0.345	32%	0.316	S	S	.	.	H	α-helix	trans	-69.9	-40	175.2	-173.9	168.1	-71.6	0	0	110.9	L43 F73 G74 H75 E79 C80 L81	L43-M77 HydrophobicContact CD2-CG 4.21Å; L43-M77 HydrophobicContact CD2-SD 3.43Å; L43-M77 WeakPolarHBondContact CD2-SD 3.39Å; F73-M77 HydrophobicContact CB-CB 3.85Å; F73-M77 HydrophobicContact CB-CE 3.79Å; F73-M77 HydrophobicContact CB-CG 4.19Å; F73-M77 HydrophobicContact CB-SD 3.36Å; F73-M77 WeakPolarHBondContact CB-SD 3.43Å; F73-M77 HydrophobicContact CD1-SD 3.53Å; F73-M77 VanDerWaalsContact CD1-SD 3.53Å; F73-M77 HydrophobicContact CD2-CB 4.09Å; F73-M77 HydrophobicContact CD2-CG 4.31Å; F73-M77 HydrophobicContact CD2-SD 4.01Å; F73-M77 HydrophobicContact CE1-SD 4.32Å; F73-M77 HydrophobicContact CG-CB 4.15Å; F73-M77 HydrophobicContact CG-CE 4.42Å; F73-M77 HydrophobicContact CG-CG 4.19Å; F73-M77 HydrophobicContact CG-SD 3.35Å; F73-M77 WeakPolarHBondContact CG-SD 3.45Å; G74-M77 WeakPolarHBondContact O-CB 3.34Å; G74-M77 PolarHBondContact O-N 3.18Å; H75-M77 VanDerWaalsContact C-N 3.28Å; H75-M77 PolarHBondContact O-N 3.48Å; M77-E79 VanDerWaalsContact C-N 3.31Å; M77-E79 PolarHBondContact O-N 3.2Å; M77-C80 WeakPolarHBondContact O-CB 3.39Å; M77-C80 PolarHBondContact O-N 2.9Å; M77-L81 HydrophobicContact CG-CD1 4.33Å; M77-L81 HydrophobicContact CG-CG 4.4Å; M77-L81 WeakPolarHBondContact O-CG 3.45Å; M77-L81 PolarHBondContact O-N 2.93Å
78	V	98.4	Very high	97.4	Very high	0 Å²	0	63 Å²	63	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-59.3	-43.2	175.7	-177.4	0	0	0	0	111	L60 G74 H75 C80 L81 R82 F91 M93 M107 A110	L60-V78 HydrophobicContact CD1-CG2 4.48Å; G74-V78 PolarHBondContact O-N 3.47Å; H75-V78 WeakPolarHBondContact O-CB 3.45Å; H75-V78 PolarHBondContact O-N 3.41Å; V78-C80 VanDerWaalsContact C-N 3.35Å; V78-C80 PolarHBondContact O-N 2.93Å; V78-L81 PolarHBondContact O-N 2.93Å; V78-R82 WeakPolarHBondContact O-CB 3.35Å; V78-R82 PolarHBondContact O-N 3.45Å; V78-F91 HydrophobicContact CG1-CD2 3.95Å; V78-F91 HydrophobicContact CG1-CE2 4.36Å; V78-M93 HydrophobicContact CG1-SD 4.05Å; V78-M93 HydrophobicContact CG2-CE 3.43Å; V78-M93 VanDerWaalsContact CG2-CE 3.43Å; V78-M93 HydrophobicContact CG2-SD 4.02Å; V78-M107 HydrophobicContact CB-SD 4.45Å; V78-M107 HydrophobicContact CG2-CE 4.34Å; V78-M107 HydrophobicContact CG2-SD 3.89Å; V78-A110 HydrophobicContact CB-CB 3.96Å; V78-A110 HydrophobicContact CG1-CB 3.96Å
79	E	98.4	Very high	97.4	Very high	84 Å²	84	63.7 Å²	63.7	39%	0.393	35%	0.354	S	S	.	.	H	α-helix	trans	-62	-42.6	177	-167.1	-165.6	149.7	0	0	111.6	H75 M77 R82 K83 A110	H75-E79 PolarHBondContact O-N 3.04Å; M77-E79 VanDerWaalsContact C-N 3.31Å; M77-E79 PolarHBondContact O-N 3.2Å; E79-R82 PolarHBondContact O-N 3.01Å; E79-K83 WeakPolarHBondContact O-CG 3.48Å; E79-K83 PolarHBondContact O-N 2.94Å; E79-K83 WeakPolarHBondContact OE1-CE 3.39Å; E79-K83 IonicContact OE1-NZ 2.7Å; E79-K83 PolarHBondContact OE1-NZ 2.92Å; E79-A110 HydrophobicContact CB-CB 4.03Å
80	C	97.9	Very high	97.4	Very high	74 Å²	74	61.2 Å²	61.2	50%	0.5	33%	0.333	S	S	.	.	H	α-helix	trans	-63.9	-44.5	174.7	-71	0	0	0	0	112.1	P76 M77 V78 R82 K83 T84	P76-C80 PolarHBondContact O-N 3.36Å; P76-C80 PolarHBondContact O-SG 3.46Å; P76-C80 VanDerWaalsContact O-SG 3.38Å; M77-C80 WeakPolarHBondContact O-CB 3.39Å; M77-C80 PolarHBondContact O-N 2.9Å; V78-C80 VanDerWaalsContact C-N 3.35Å; V78-C80 PolarHBondContact O-N 2.93Å; C80-R82 VanDerWaalsContact C-N 3.35Å; C80-R82 PolarHBondContact O-N 3.35Å; C80-K83 PolarHBondContact O-N 3.39Å; C80-T84 PolarHBondContact O-N 2.79Å; C80-T84 PolarHBondContact O-OG1 3.33Å
81	L	97.9	Very high	97.5	Very high	7 Å²	7	58.8 Å²	58.8	4%	0.037	32%	0.32	C	S	.	.	H	α-helix	trans	-62	-43.3	176.9	-71.2	176.6	0	0	0	111.2	I35 L43 L60 M77 V78 K83 T84 V85 F91	I35-L81 HydrophobicContact CD1-CD1 4.09Å; L43-L81 HydrophobicContact CB-CD2 4.2Å; L43-L81 HydrophobicContact CD2-CD1 3.93Å; L43-L81 HydrophobicContact CD2-CD2 4.24Å; L43-L81 HydrophobicContact CG-CD1 4.36Å; L43-L81 HydrophobicContact CG-CD2 4Å; L60-L81 HydrophobicContact CD1-CD1 4.5Å; L60-L81 HydrophobicContact CD2-CD1 4.22Å; M77-L81 HydrophobicContact CG-CD1 4.33Å; M77-L81 HydrophobicContact CG-CG 4.4Å; M77-L81 WeakPolarHBondContact O-CG 3.45Å; M77-L81 PolarHBondContact O-N 2.93Å; V78-L81 PolarHBondContact O-N 2.93Å; L81-K83 VanDerWaalsContact C-N 3.28Å; L81-K83 PolarHBondContact O-N 2.87Å; L81-T84 PolarHBondContact O-N 2.66Å; L81-V85 VanDerWaalsContact O-CB 3.3Å; L81-V85 WeakPolarHBondContact O-CB 3.45Å; L81-V85 VanDerWaalsContact O-CG2 3.32Å; L81-V85 WeakPolarHBondContact O-CG2 3.41Å; L81-V85 PolarHBondContact O-N 3.31Å; L81-F91 HydrophobicContact CB-CE2 4.1Å; L81-F91 HydrophobicContact CB-CZ 4.23Å
82	R	97.5	Very high	97.5	Very high	12 Å²	12	52.9 Å²	52.9	5%	0.045	29%	0.29	C	S	.	.	H	α-helix	trans	-59.7	-38.1	178.6	-178	56.8	68	-164.2	9.9	112.1	V78 E79 C80 G86 P89 F91 G111 S113	V78-R82 WeakPolarHBondContact O-CB 3.35Å; V78-R82 PolarHBondContact O-N 3.45Å; E79-R82 PolarHBondContact O-N 3.01Å; C80-R82 VanDerWaalsContact C-N 3.35Å; C80-R82 PolarHBondContact O-N 3.35Å; R82-G86 WeakPolarHBondContact CD-O 3.49Å; R82-G86 PolarHBondContact NH1-O 2.95Å; R82-G86 PolarHBondContact O-N 2.82Å; R82-P89 PolarHBondContact NH1-O 3.18Å; R82-P89 PolarHBondContact NH2-O 3.03Å; R82-P89 VanDerWaalsContact NH2-O 3.1Å; R82-F91 HydrophobicContact CB-CE2 4.04Å; R82-F91 VanDerWaalsContact NH2-CD2 3.31Å; R82-G111 VanDerWaalsContact CZ-O 3.24Å; R82-G111 PolarHBondContact NE-O 2.95Å; R82-G111 PolarHBondContact NH2-O 3.03Å; R82-S113 PolarHBondContact NH2-OG 2.95Å
83	K	97.2	Very high	97.6	Very high	143 Å²	143	51.4 Å²	51.4	62%	0.622	28%	0.281	S	S	*	.	H	α-helix	trans	-65.3	-36.7	174.6	-70.9	169.1	-172.4	164.7	0	112.7	E79 C80 L81	E79-K83 WeakPolarHBondContact O-CG 3.48Å; E79-K83 PolarHBondContact O-N 2.94Å; E79-K83 WeakPolarHBondContact OE1-CE 3.39Å; E79-K83 IonicContact OE1-NZ 2.7Å; E79-K83 PolarHBondContact OE1-NZ 2.92Å; C80-K83 PolarHBondContact O-N 3.39Å; L81-K83 VanDerWaalsContact C-N 3.28Å; L81-K83 PolarHBondContact O-N 2.87Å
84	T	96.8	Very high	97.6	Very high	88 Å²	88	50.4 Å²	50.4	54%	0.54	28%	0.277	S	S	.	.	H	α-helix	trans	-80	-43.8	-178.9	-58.7	0	0	0	0	112.6	V48 C80 L81	V48-T84 HydrophobicContact CG2-CG2 4.43Å; C80-T84 PolarHBondContact O-N 2.79Å; C80-T84 PolarHBondContact O-OG1 3.33Å; L81-T84 PolarHBondContact O-N 2.66Å
85	V	95.7	Very high	97.6	Very high	20 Å²	20	49 Å²	49	12%	0.121	26%	0.262	C	S	.	.	H	α-helix	trans	-87.7	-20.9	-170.7	175.9	0	0	0	0	112.1	C47 V48 M51 L58 L81 P89 F91	C47-V85 HydrophobicContact CB-CG2 3.48Å; C47-V85 VanDerWaalsContact CB-CG2 3.48Å; V48-V85 HydrophobicContact CG2-CG2 4.25Å; M51-V85 HydrophobicContact CG-CG1 4.4Å; L58-V85 HydrophobicContact CD1-CG1 4.18Å; L81-V85 VanDerWaalsContact O-CB 3.3Å; L81-V85 WeakPolarHBondContact O-CB 3.45Å; L81-V85 VanDerWaalsContact O-CG2 3.32Å; L81-V85 WeakPolarHBondContact O-CG2 3.41Å; L81-V85 PolarHBondContact O-N 3.31Å; V85-P89 HydrophobicContact CG1-CB 3.67Å; V85-P89 HydrophobicContact CG1-CG 3.53Å; V85-F91 HydrophobicContact CB-CE1 4.44Å; V85-F91 HydrophobicContact CB-CZ 4.13Å; V85-F91 HydrophobicContact CG1-CE1 4.01Å; V85-F91 HydrophobicContact CG1-CZ 4.2Å; V85-F91 HydrophobicContact CG2-CZ 4.49Å
86	G	95.5	Very high	97.6	Very high	29 Å²	29	46.5 Å²	46.5	30%	0.299	25%	0.25	S	S	.	.			trans	91.7	178.6	-179.7	0	0	0	0	0	113.5	R82	R82-G86 WeakPolarHBondContact CD-O 3.49Å; R82-G86 PolarHBondContact NH1-O 2.95Å; R82-G86 PolarHBondContact O-N 2.82Å
87	Q	93.9	Very high	97.7	Very high	144 Å²	144	43.1 Å²	43.1	67%	0.673	23%	0.228	S	C	*	.	S	Bend	trans	-84	-26.5	-172.7	-60.6	-58.7	-48.5	0	0	113.7
88	D	95.9	Very high	97.7	Very high	163 Å²	163	41.9 Å²	41.9	87%	0.872	23%	0.227	S	C	*	.	S	Bend	trans	-69.4	-39.8	-174.4	-58.3	-23.5	0	0	0	113.6	F90	D88-F90 PolarHBondContact O-N 2.76Å
89	P	96.9	Very high	97.7	Very high	17 Å²	17	49.8 Å²	49.8	11%	0.11	26%	0.257	C	S	.	.	S	Bend	trans	-64.5	134.1	-176.5	-31.7	44.3	0	0	0	113.5	M51 R82 V85 F91	M51-P89 HydrophobicContact CE-CB 3.87Å; M51-P89 HydrophobicContact CE-CG 4.11Å; M51-P89 HydrophobicContact CG-CB 4.2Å; M51-P89 HydrophobicContact CG-CG 4.23Å; M51-P89 HydrophobicContact SD-CB 4.02Å; R82-P89 PolarHBondContact NH1-O 3.18Å; R82-P89 PolarHBondContact NH2-O 3.03Å; R82-P89 VanDerWaalsContact NH2-O 3.1Å; V85-P89 HydrophobicContact CG1-CB 3.67Å; V85-P89 HydrophobicContact CG1-CG 3.53Å; P89-F91 HydrophobicContact CB-CE1 4.2Å
90	F	98.7	Very high	97.7	Very high	50 Å²	50	45.8 Å²	45.8	22%	0.219	24%	0.238	C	C	.	.			trans	-78.8	125.8	179.7	-170.7	-86	0	0	0	110.8	Y57 L58 D88 D92 S113 Q114 K138	Y57-F90 WeakPolarHBondContact CA-O 3.3Å; Y57-F90 WeakPolarHBondContact CB-O 3.42Å; Y57-F90 HydrophobicContact CG-CD1 4.46Å; L58-F90 PolarHBondContact N-O 3.43Å; D88-F90 PolarHBondContact O-N 2.76Å; F90-D92 HydrophobicContact CD1-CB 4.46Å; F90-D92 HydrophobicContact CE1-CB 4.18Å; F90-S113 VanDerWaalsContact CD2-CB 3.41Å; F90-Q114 HydrophobicContact CE1-CB 3.67Å; F90-Q114 HydrophobicContact CZ-CB 3.54Å; F90-Q114 HydrophobicContact CZ-CG 4.5Å; F90-K138 HydrophobicContact CE2-CD 3.92Å; F90-K138 HydrophobicContact CZ-CD 3.97Å
91	F	98.8	Very high	97.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	112.9	175.8	-71.8	6.3	0	0	0	109.5	L58 L60 V78 L81 R82 V85 P89 M93 S113 Q114	L58-F91 HydrophobicContact CB-CD1 4.23Å; L58-F91 HydrophobicContact CD1-CD1 4.23Å; L58-F91 HydrophobicContact CD1-CE1 3.74Å; L60-F91 HydrophobicContact CD1-CB 4.03Å; L60-F91 HydrophobicContact CD1-CD2 3.74Å; L60-F91 HydrophobicContact CD1-CE2 4.34Å; L60-F91 HydrophobicContact CD1-CG 3.85Å; V78-F91 HydrophobicContact CG1-CD2 3.95Å; V78-F91 HydrophobicContact CG1-CE2 4.36Å; L81-F91 HydrophobicContact CB-CE2 4.1Å; L81-F91 HydrophobicContact CB-CZ 4.23Å; R82-F91 HydrophobicContact CB-CE2 4.04Å; R82-F91 VanDerWaalsContact NH2-CD2 3.31Å; V85-F91 HydrophobicContact CB-CE1 4.44Å; V85-F91 HydrophobicContact CB-CZ 4.13Å; V85-F91 HydrophobicContact CG1-CE1 4.01Å; V85-F91 HydrophobicContact CG1-CZ 4.2Å; V85-F91 HydrophobicContact CG2-CZ 4.49Å; P89-F91 HydrophobicContact CB-CE1 4.2Å; F91-M93 HydrophobicContact CB-SD 4.28Å; F91-S113 PolarHBondContact N-OG 3.01Å; F91-S113 WeakPolarHBondContact O-CB 3.39Å; F91-S113 PolarHBondContact O-N 3.22Å; F91-Q114 PolarHBondContact O-N 2.96Å
92	D	98.9	Very high	97.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	111.6	169.8	176.5	41.8	0	0	0	109.4	Y57 L58 H59 L60 F90 Q114 T116	Y57-D92 HydrophobicContact CD2-CB 3.76Å; Y57-D92 HydrophobicContact CE2-CB 4.04Å; L58-D92 PolarHBondContact O-N 2.99Å; H59-D92 IonicContact CE1-OD2 3.56Å; H59-D92 PolarHBondContact CE1-OD2 3.33Å; H59-D92 IonicContact CG-OD2 3.85Å; H59-D92 IonicContact ND1-OD2 3.57Å; H59-D92 PolarHBondContact ND1-OD2 2.95Å; L60-D92 PolarHBondContact N-O 2.99Å; F90-D92 HydrophobicContact CD1-CB 4.46Å; F90-D92 HydrophobicContact CE1-CB 4.18Å; D92-Q114 PolarHBondContact OD1-NE2 3.43Å; D92-T116 PolarHBondContact OD1-OG1 2.66Å
93	M	98.9	Very high	97.9	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	108.4	-179.8	-53.7	-54.3	-44.9	0	0	109.4	L60 V62 V78 F91 M95 M107 A112 Q114 T116	L60-M93 HydrophobicContact CB-CE 3.5Å; L60-M93 HydrophobicContact CB-SD 3.85Å; L60-M93 HydrophobicContact CD1-CE 3.92Å; L60-M93 HydrophobicContact CD1-SD 3.5Å; L60-M93 WeakPolarHBondContact CD1-SD 3.41Å; L60-M93 HydrophobicContact CG-CE 4.32Å; L60-M93 HydrophobicContact CG-SD 4.18Å; V62-M93 HydrophobicContact CG2-CE 3.48Å; V62-M93 VanDerWaalsContact CG2-CE 3.48Å; V78-M93 HydrophobicContact CG1-SD 4.05Å; V78-M93 HydrophobicContact CG2-CE 3.43Å; V78-M93 VanDerWaalsContact CG2-CE 3.43Å; V78-M93 HydrophobicContact CG2-SD 4.02Å; F91-M93 HydrophobicContact CB-SD 4.28Å; M93-M95 HydrophobicContact CB-CG 4.14Å; M93-M95 HydrophobicContact CB-SD 3.71Å; M93-M95 PolarHBondContact O-N 2.62Å; M93-M107 HydrophobicContact CE-CE 4.06Å; M93-M107 HydrophobicContact CE-SD 4Å; M93-A112 HydrophobicContact CG-CB 3.39Å; M93-A112 HydrophobicContact SD-CB 4.05Å; M93-Q114 WeakPolarHBondContact CB-O 3.44Å; M93-Q114 WeakPolarHBondContact CG-O 3.35Å; M93-Q114 PolarHBondContact N-O 3.36Å; M93-T116 WeakPolarHBondContact O-CA 3.43Å; M93-T116 WeakPolarHBondContact O-CB 3.18Å; M93-T116 PolarHBondContact O-N 3.11Å
94	H	98.9	Very high	98	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	101.1	173.5	-176.2	-159.4	0	0	0	110	H59 L60 D61 V62 M96 H118 M165 D199	H59-H94 VanDerWaalsContact CE1-CB 3.45Å; H59-H94 WeakPolarHBondContact CE1-CB 3.28Å; H59-H94 AromaticContact CE1-CG 3.91Å; H59-H94 AromaticContact CE1-ND1 3.94Å; H59-H94 VanDerWaalsContact NE2-CB 3.33Å; H59-H94 WeakPolarHBondContact NE2-CB 3.29Å; H59-H94 AromaticContact NE2-CG 3.72Å; H59-H94 AromaticContact NE2-ND1 3.45Å; H59-H94 PolarHBondContact NE2-ND1 3.32Å; L60-H94 PolarHBondContact O-N 2.64Å; D61-H94 IonicContact OD1-ND1 3.77Å; D61-H94 PolarHBondContact OD1-ND1 2.95Å; V62-H94 PolarHBondContact N-O 3.48Å; H94-M96 PolarHBondContact O-N 3.38Å; H94-H118 AromaticContact CD2-NE2 3.84Å; H94-H118 AromaticContact CE1-NE2 3.79Å; H94-H118 AromaticContact NE2-CD2 3.6Å; H94-H118 AromaticContact NE2-CE1 3.89Å; H94-H118 AromaticContact NE2-NE2 2.9Å; H94-H118 PolarHBondContact NE2-NE2 2.9Å; H94-M165 PolarHBondContact CE1-SD 3.32Å; H94-D199 IonicContact ND1-OD2 2.91Å
95	M	98.9	Very high	98	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	80.6	-167.8	-57.6	-60.9	-55.9	0	0	110.3	V62 M93 V97 W103 M107 Y115 T116	V62-M95 HydrophobicContact CB-CE 4.12Å; V62-M95 HydrophobicContact CB-SD 3.82Å; V62-M95 HydrophobicContact CG1-CE 3.66Å; V62-M95 HydrophobicContact CG1-SD 4.05Å; V62-M95 HydrophobicContact CG2-SD 4.06Å; M93-M95 HydrophobicContact CB-CG 4.14Å; M93-M95 HydrophobicContact CB-SD 3.71Å; M93-M95 PolarHBondContact O-N 2.62Å; M95-V97 HydrophobicContact CB-CG2 4.14Å; M95-V97 HydrophobicContact CE-CG1 4.19Å; M95-V97 HydrophobicContact CE-CG2 4.15Å; M95-V97 PolarHBondContact O-N 3.42Å; M95-W103 HydrophobicContact CE-CB 3.89Å; M95-W103 HydrophobicContact CE-CG 4.3Å; M95-M107 HydrophobicContact CE-CE 3.7Å; M95-M107 HydrophobicContact CE-CG 4.21Å; M95-M107 HydrophobicContact SD-CE 3.84Å; M95-M107 HydrophobicContact SD-CG 4.27Å; M95-Y115 HydrophobicContact CB-CE1 4.12Å; M95-Y115 HydrophobicContact CE-CE2 3.77Å; M95-Y115 WeakPolarHBondContact CE-OH 3.33Å; M95-Y115 HydrophobicContact CG-CD1 4.02Å; M95-Y115 HydrophobicContact CG-CD2 3.92Å; M95-Y115 HydrophobicContact CG-CE1 3.72Å; M95-Y115 HydrophobicContact CG-CE2 3.57Å; M95-Y115 HydrophobicContact CG-CG 4.13Å; M95-Y115 VanDerWaalsContact CG-CZ 3.47Å; M95-Y115 HydrophobicContact SD-CD2 4.31Å; M95-Y115 HydrophobicContact SD-CE2 3.81Å; M95-T116 WeakPolarHBondContact CB-O 3.33Å; M95-T116 PolarHBondContact N-O 3.41Å
96	M	98.8	Very high	98.2	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	60.8	171	-69.1	173.8	-83.7	0	0	110.6	D61 V62 M63 F67 V68 H94 P169	D61-M96 HydrophobicContact CB-CE 3.69Å; D61-M96 WeakPolarHBondContact OD1-CE 3.27Å; V62-M96 CarbonylContact O-C 3.57Å; V62-M96 WeakPolarHBondContact O-CA 3.4Å; V62-M96 WeakPolarHBondContact O-CB 3.45Å; V62-M96 PolarHBondContact O-N 2.87Å; M63-M96 HydrophobicContact CE-CE 3.34Å; M63-M96 HydrophobicContact CE-SD 3.83Å; M63-M96 HydrophobicContact CG-CB 4.13Å; M63-M96 HydrophobicContact CG-CE 3.84Å; M63-M96 HydrophobicContact CG-SD 4.3Å; M63-M96 HydrophobicContact SD-CE 4.39Å; F67-M96 HydrophobicContact CD1-CB 4.07Å; V68-M96 HydrophobicContact CG1-CB 4.12Å; V68-M96 HydrophobicContact CG1-CG 4.44Å; V68-M96 HydrophobicContact CG1-SD 4.36Å; V68-M96 HydrophobicContact CG2-CB 3.95Å; H94-M96 PolarHBondContact O-N 3.38Å; M96-P169 HydrophobicContact CG-CB 4.21Å; M96-P169 HydrophobicContact SD-CB 3.45Å; M96-P169 WeakPolarHBondContact SD-CB 3.35Å
97	V	98.9	Very high	98.4	Very high	2 Å²	2	48 Å²	48	1%	0.012	23%	0.227	C	C	.	.			trans	-127.7	147.4	-174.8	-56.8	0	0	0	0	110.9	V62 D64 F67 M95 R99 P100 A121	V62-V97 HydrophobicContact CG1-CG1 3.9Å; D64-V97 HydrophobicContact CB-CB 4.11Å; D64-V97 HydrophobicContact CB-CG1 3.91Å; F67-V97 VanDerWaalsContact CB-C 3.47Å; M95-V97 HydrophobicContact CB-CG2 4.14Å; M95-V97 HydrophobicContact CE-CG1 4.19Å; M95-V97 HydrophobicContact CE-CG2 4.15Å; M95-V97 PolarHBondContact O-N 3.42Å; V97-R99 VanDerWaalsContact C-N 3.3Å; V97-R99 PolarHBondContact O-N 3.16Å; V97-P100 HydrophobicContact CG2-CB 4.16Å; V97-A121 VanDerWaalsContact O-CB 3.3Å; V97-A121 WeakPolarHBondContact O-CB 3.44Å
98	S	98.8	Very high	98.6	Very high	44 Å²	44	42.5 Å²	42.5	31%	0.308	21%	0.206	S	C	.	.	S	Bend	trans	-77.6	-15.6	-172.5	58.7	0	0	0	0	114	D64	D64-S98 WeakPolarHBondContact OD2-CB 3.34Å; D64-S98 PolarHBondContact OD2-N 3.44Å; D64-S98 PolarHBondContact OD2-OG 3.33Å
99	R	98.6	Very high	98.7	Very high	166 Å²	166	39 Å²	39	63%	0.626	20%	0.199	S	C	*	.			trans	-136	70.9	-179.6	-63.3	-175.2	-179.5	-160	-1.2	110.1	V97 E101 Q102 W103	V97-R99 VanDerWaalsContact C-N 3.3Å; V97-R99 PolarHBondContact O-N 3.16Å; R99-E101 PolarHBondContact O-N 3.12Å; R99-Q102 HydrophobicContact CB-CB 4.33Å; R99-Q102 WeakPolarHBondContact O-CB 3.39Å; R99-Q102 PolarHBondContact O-N 3.02Å; R99-Q102 VanDerWaalsContact O-N 3.14Å; R99-W103 PolarHBondContact O-NE1 3.38Å
100	P	98.9	Very high	98.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-62.1	-27.7	-173.7	25.7	-35.2	0	0	0	113.3	V97 Q102 W103 Y115 F117 A121 L128	V97-P100 HydrophobicContact CG2-CB 4.16Å; P100-Q102 PolarHBondContact O-N 2.96Å; P100-W103 PolarHBondContact O-N 2.76Å; P100-Y115 HydrophobicContact CB-CE1 4.2Å; P100-Y115 PolarHBondContact O-OH 2.67Å; P100-F117 HydrophobicContact CB-CB 3.93Å; P100-A121 WeakPolarHBondContact CD-O 3.47Å; P100-A121 HydrophobicContact CG-CB 4.08Å; P100-L128 HydrophobicContact CB-CD2 3.78Å; P100-L128 HydrophobicContact CG-CD2 3.57Å
101	E	98.8	Very high	98.8	Very high	70 Å²	70	37 Å²	37	33%	0.327	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-59	-34.2	176.4	-58.5	80	178.8	0	0	112	R99 W103 T122 L128	R99-E101 PolarHBondContact O-N 3.12Å; E101-W103 PolarHBondContact O-N 3.35Å; E101-T122 VanDerWaalsContact OE1-CB 3.26Å; E101-T122 WeakPolarHBondContact OE1-CB 3.47Å; E101-T122 PolarHBondContact OE1-OG1 2.91Å; E101-L128 HydrophobicContact CG-CD1 4.23Å
102	Q	98.8	Very high	98.8	Very high	106 Å²	106	37.6 Å²	37.6	50%	0.495	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-63.8	-27.5	-176.4	-178.2	175	-20.7	0	0	113	R99 P100	R99-Q102 HydrophobicContact CB-CB 4.33Å; R99-Q102 WeakPolarHBondContact O-CB 3.39Å; R99-Q102 PolarHBondContact O-N 3.02Å; R99-Q102 VanDerWaalsContact O-N 3.14Å; P100-Q102 PolarHBondContact O-N 2.96Å
103	W	98.9	Very high	98.8	Very high	66 Å²	66	39 Å²	39	25%	0.25	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-108.6	-2.4	-166.9	-44.9	103.9	0	0	0	114.1	M95 R99 P100 E101 P106 M107 Y115	M95-W103 HydrophobicContact CE-CB 3.89Å; M95-W103 HydrophobicContact CE-CG 4.3Å; R99-W103 PolarHBondContact O-NE1 3.38Å; P100-W103 PolarHBondContact O-N 2.76Å; E101-W103 PolarHBondContact O-N 3.35Å; W103-P106 WeakPolarHBondContact O-CD 3.23Å; W103-M107 HydrophobicContact CB-CG 4.46Å; W103-M107 VanDerWaalsContact O-CB 3.29Å; W103-M107 WeakPolarHBondContact O-CB 3.37Å; W103-M107 VanDerWaalsContact O-CG 3.28Å; W103-M107 WeakPolarHBondContact O-CG 3.25Å; W103-M107 PolarHBondContact O-N 3.32Å; W103-Y115 HydrophobicContact CB-CE2 4.37Å; W103-Y115 WeakPolarHBondContact CB-OH 3.42Å
104	V	98.9	Very high	98.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-57.6	-57.6	-179.1	-178.6	0	0	0	0	111.2	M107 A108 Y115 L128 E131 I132 S135 M137	V104-M107 PolarHBondContact O-N 2.97Å; V104-A108 WeakPolarHBondContact O-CB 3.41Å; V104-A108 PolarHBondContact O-N 3.39Å; V104-Y115 HydrophobicContact CG2-CE1 4.16Å; V104-Y115 HydrophobicContact CG2-CE2 4.47Å; V104-L128 HydrophobicContact CG2-CD1 3.5Å; V104-L128 VanDerWaalsContact CG2-CD1 3.5Å; V104-E131 HydrophobicContact CB-CG 4.4Å; V104-E131 HydrophobicContact CG1-CG 4.1Å; V104-I132 HydrophobicContact CG1-CB 4.42Å; V104-I132 HydrophobicContact CG1-CG1 3.95Å; V104-I132 HydrophobicContact CG2-CG1 3.95Å; V104-S135 WeakPolarHBondContact CG1-OG 3.37Å; V104-M137 HydrophobicContact CG1-CE 3.64Å; V104-M137 WeakPolarHBondContact O-CE 3.41Å
105	K	98.8	Very high	98.8	Very high	138 Å²	138	39.2 Å²	39.2	60%	0.6	21%	0.212	S	C	*	.	H	α-helix	trans	-65.3	-44.3	-178.7	-62.5	177.7	-174.8	174.3	0	112.9	M107 A108 A109	K105-M107 PolarHBondContact O-N 2.85Å; K105-A108 PolarHBondContact O-N 2.82Å; K105-A109 WeakPolarHBondContact O-CB 3.39Å; K105-A109 PolarHBondContact O-N 2.91Å
106	P	98.9	Very high	98.8	Very high	39 Å²	39	39.2 Å²	39.2	25%	0.253	21%	0.212	S	C	.	.	H	α-helix	trans	-57.7	-41.9	173.2	-27.2	34.4	0	0	0	114.1	H75 W103 A109 A110	H75-P106 HydrophobicContact CB-CB 4.09Å; H75-P106 VanDerWaalsContact CD2-CB 3.49Å; H75-P106 WeakPolarHBondContact CD2-CB 3.5Å; W103-P106 WeakPolarHBondContact O-CD 3.23Å; P106-A109 PolarHBondContact O-N 2.91Å; P106-A110 WeakPolarHBondContact O-CB 3.37Å; P106-A110 PolarHBondContact O-N 3.46Å
107	M	98.9	Very high	98.8	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-69.4	-41.5	178.1	-74.1	-60.1	-175.9	0	0	112.3	V62 H75 V78 M93 M95 W103 V104 K105 A109 A110 G111 A112 Y115 M137	V62-M107 HydrophobicContact CB-CE 4.37Å; V62-M107 HydrophobicContact CG1-CE 3.92Å; V62-M107 HydrophobicContact CG2-CE 3.74Å; H75-M107 HydrophobicContact CB-CE 4.02Å; H75-M107 HydrophobicContact CB-CG 4.37Å; H75-M107 HydrophobicContact CB-SD 3.56Å; H75-M107 VanDerWaalsContact CB-SD 3.56Å; V78-M107 HydrophobicContact CB-SD 4.45Å; V78-M107 HydrophobicContact CG2-CE 4.34Å; V78-M107 HydrophobicContact CG2-SD 3.89Å; M93-M107 HydrophobicContact CE-CE 4.06Å; M93-M107 HydrophobicContact CE-SD 4Å; M95-M107 HydrophobicContact CE-CE 3.7Å; M95-M107 HydrophobicContact CE-CG 4.21Å; M95-M107 HydrophobicContact SD-CE 3.84Å; M95-M107 HydrophobicContact SD-CG 4.27Å; W103-M107 HydrophobicContact CB-CG 4.46Å; W103-M107 VanDerWaalsContact O-CB 3.29Å; W103-M107 WeakPolarHBondContact O-CB 3.37Å; W103-M107 VanDerWaalsContact O-CG 3.28Å; W103-M107 WeakPolarHBondContact O-CG 3.25Å; W103-M107 PolarHBondContact O-N 3.32Å; V104-M107 PolarHBondContact O-N 2.97Å; K105-M107 PolarHBondContact O-N 2.85Å; M107-A109 VanDerWaalsContact C-N 3.33Å; M107-A109 PolarHBondContact O-N 2.79Å; M107-A110 PolarHBondContact O-N 2.54Å; M107-G111 PolarHBondContact O-N 3.48Å; M107-A112 HydrophobicContact CB-CB 4.08Å; M107-A112 VanDerWaalsContact O-CB 3.31Å; M107-A112 WeakPolarHBondContact O-CB 3.37Å; M107-A112 PolarHBondContact O-N 3.4Å; M107-Y115 HydrophobicContact CB-CD2 3.98Å; M107-Y115 HydrophobicContact CB-CE2 4.01Å; M107-Y115 HydrophobicContact CG-CD2 4.19Å; M107-Y115 HydrophobicContact CG-CE2 3.82Å; M107-M137 HydrophobicContact CB-SD 4.38Å
108	A	98.8	Very high	98.8	Very high	27 Å²	27	39 Å²	39	22%	0.223	21%	0.211	C	C	.	.	H	α-helix	trans	-58.8	-46.7	173.7	0	0	0	0	0	111.2	V104 K105 A110 G111 M137	V104-A108 WeakPolarHBondContact O-CB 3.41Å; V104-A108 PolarHBondContact O-N 3.39Å; K105-A108 PolarHBondContact O-N 2.82Å; A108-A110 VanDerWaalsContact C-N 3.27Å; A108-A110 PolarHBondContact O-N 2.94Å; A108-G111 PolarHBondContact O-N 3.25Å; A108-M137 HydrophobicContact CB-CE 3.88Å; A108-M137 HydrophobicContact CB-CG 4.19Å; A108-M137 HydrophobicContact CB-SD 3.91Å
109	A	98.6	Very high	98.8	Very high	90 Å²	90	37.8 Å²	37.8	74%	0.744	20%	0.2	S	C	*	.	H	α-helix	trans	-63.3	-32.3	176.9	0	0	0	0	0	113	K105 P106 M107 G111	K105-A109 WeakPolarHBondContact O-CB 3.39Å; K105-A109 PolarHBondContact O-N 2.91Å; P106-A109 PolarHBondContact O-N 2.91Å; M107-A109 VanDerWaalsContact C-N 3.33Å; M107-A109 PolarHBondContact O-N 2.79Å; A109-G111 PolarHBondContact O-N 2.7Å
110	A	98.7	Very high	98.8	Very high	4 Å²	4	32.8 Å²	32.8	3%	0.033	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-8.9	174.4	0	0	0	0	0	113.6	H75 V78 E79 P106 M107 A108	H75-A110 HydrophobicContact CB-CB 4.14Å; H75-A110 WeakPolarHBondContact O-CB 3.23Å; V78-A110 HydrophobicContact CB-CB 3.96Å; V78-A110 HydrophobicContact CG1-CB 3.96Å; E79-A110 HydrophobicContact CB-CB 4.03Å; P106-A110 WeakPolarHBondContact O-CB 3.37Å; P106-A110 PolarHBondContact O-N 3.46Å; M107-A110 PolarHBondContact O-N 2.54Å; A108-A110 VanDerWaalsContact C-N 3.27Å; A108-A110 PolarHBondContact O-N 2.94Å
111	G	98.4	Very high	98.8	Very high	22 Å²	22	33.5 Å²	33.5	23%	0.227	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	89	29	178.5	0	0	0	0	0	114.2	R82 M107 A108 A109	R82-G111 VanDerWaalsContact CZ-O 3.24Å; R82-G111 PolarHBondContact NE-O 2.95Å; R82-G111 PolarHBondContact NH2-O 3.03Å; M107-G111 PolarHBondContact O-N 3.48Å; A108-G111 PolarHBondContact O-N 3.25Å; A109-G111 PolarHBondContact O-N 2.7Å
112	A	98.8	Very high	98.8	Very high	11 Å²	11	31 Å²	31	9%	0.091	18%	0.179	C	C	.	.			trans	-61.5	143.9	167.3	0	0	0	0	0	111.3	M93 M107 M137	M93-A112 HydrophobicContact CG-CB 3.39Å; M93-A112 HydrophobicContact SD-CB 4.05Å; M107-A112 HydrophobicContact CB-CB 4.08Å; M107-A112 VanDerWaalsContact O-CB 3.31Å; M107-A112 WeakPolarHBondContact O-CB 3.37Å; M107-A112 PolarHBondContact O-N 3.4Å; A112-M137 HydrophobicContact CB-SD 3.67Å
113	S	98.8	Very high	98.7	Very high	30 Å²	30	33.1 Å²	33.1	21%	0.21	20%	0.2	C	C	.	.	S	Bend	trans	-95.9	-36.6	178.5	-49.8	0	0	0	0	111.8	R82 F90 F91 K138	R82-S113 PolarHBondContact NH2-OG 2.95Å; F90-S113 VanDerWaalsContact CD2-CB 3.41Å; F91-S113 PolarHBondContact N-OG 3.01Å; F91-S113 WeakPolarHBondContact O-CB 3.39Å; F91-S113 PolarHBondContact O-N 3.22Å; S113-K138 PolarHBondContact O-N 3.43Å
114	Q	98.9	Very high	98.7	Very high	5 Å²	5	33.4 Å²	33.4	2%	0.023	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	144.6	176.5	179.8	166	-80	0	0	110.8	F90 F91 D92 M93 T116 K138 M161	F90-Q114 HydrophobicContact CE1-CB 3.67Å; F90-Q114 HydrophobicContact CZ-CB 3.54Å; F90-Q114 HydrophobicContact CZ-CG 4.5Å; F91-Q114 PolarHBondContact O-N 2.96Å; D92-Q114 PolarHBondContact OD1-NE2 3.43Å; M93-Q114 WeakPolarHBondContact CB-O 3.44Å; M93-Q114 WeakPolarHBondContact CG-O 3.35Å; M93-Q114 PolarHBondContact N-O 3.36Å; Q114-T116 PolarHBondContact NE2-OG1 3.28Å; Q114-K138 WeakPolarHBondContact CA-O 3.47Å; Q114-K138 HydrophobicContact CB-CB 3.95Å; Q114-K138 HydrophobicContact CG-CB 4Å; Q114-M161 PolarHBondContact NE2-SD 3.31Å
115	Y	98.9	Very high	98.7	Very high	0 Å²	0	34 Å²	34	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	104.3	175.1	-164.7	-83.8	0	0	0	109	M95 P100 W103 V104 M107 F117 I132 M137 K138 G140	M95-Y115 HydrophobicContact CB-CE1 4.12Å; M95-Y115 HydrophobicContact CE-CE2 3.77Å; M95-Y115 WeakPolarHBondContact CE-OH 3.33Å; M95-Y115 HydrophobicContact CG-CD1 4.02Å; M95-Y115 HydrophobicContact CG-CD2 3.92Å; M95-Y115 HydrophobicContact CG-CE1 3.72Å; M95-Y115 HydrophobicContact CG-CE2 3.57Å; M95-Y115 HydrophobicContact CG-CG 4.13Å; M95-Y115 VanDerWaalsContact CG-CZ 3.47Å; M95-Y115 HydrophobicContact SD-CD2 4.31Å; M95-Y115 HydrophobicContact SD-CE2 3.81Å; P100-Y115 HydrophobicContact CB-CE1 4.2Å; P100-Y115 PolarHBondContact O-OH 2.67Å; W103-Y115 HydrophobicContact CB-CE2 4.37Å; W103-Y115 WeakPolarHBondContact CB-OH 3.42Å; V104-Y115 HydrophobicContact CG2-CE1 4.16Å; V104-Y115 HydrophobicContact CG2-CE2 4.47Å; M107-Y115 HydrophobicContact CB-CD2 3.98Å; M107-Y115 HydrophobicContact CB-CE2 4.01Å; M107-Y115 HydrophobicContact CG-CD2 4.19Å; M107-Y115 HydrophobicContact CG-CE2 3.82Å; Y115-F117 HydrophobicContact CD1-CB 4.21Å; Y115-F117 HydrophobicContact CE1-CB 3.97Å; Y115-I132 HydrophobicContact CD1-CD1 3.49Å; Y115-I132 VanDerWaalsContact CD1-CD1 3.49Å; Y115-I132 HydrophobicContact CD1-CG1 3.84Å; Y115-I132 HydrophobicContact CE1-CD1 4.22Å; Y115-I132 HydrophobicContact CG-CD1 4.19Å; Y115-I132 HydrophobicContact CG-CG1 4.16Å; Y115-M137 HydrophobicContact CD2-CE 3.86Å; Y115-M137 HydrophobicContact CD2-SD 4.34Å; Y115-M137 HydrophobicContact CG-CE 4.11Å; Y115-K138 PolarHBondContact N-O 3.16Å; Y115-G140 PolarHBondContact O-N 2.98Å
116	T	98.9	Very high	98.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	98	-177.5	-59.9	0	0	0	0	109.4	D92 M93 M95 Q114 G140 A142 M161 L163	D92-T116 PolarHBondContact OD1-OG1 2.66Å; M93-T116 WeakPolarHBondContact O-CA 3.43Å; M93-T116 WeakPolarHBondContact O-CB 3.18Å; M93-T116 PolarHBondContact O-N 3.11Å; M95-T116 WeakPolarHBondContact CB-O 3.33Å; M95-T116 PolarHBondContact N-O 3.41Å; Q114-T116 PolarHBondContact NE2-OG1 3.28Å; T116-G140 WeakPolarHBondContact CA-O 3.27Å; T116-G140 WeakPolarHBondContact OG1-CA 3.44Å; T116-A142 HydrophobicContact CG2-CB 4.11Å; T116-M161 HydrophobicContact CG2-CE 3.89Å; T116-M161 WeakPolarHBondContact OG1-CE 3.24Å; T116-L163 HydrophobicContact CG2-CB 4.04Å; T116-L163 HydrophobicContact CG2-CD2 3.95Å
117	F	98.9	Very high	98.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	154.3	-178.3	72.8	-84	0	0	0	112	P100 Y115 T122 P125 L128 I129 I132 V139 G140 L141 A142	P100-F117 HydrophobicContact CB-CB 3.93Å; Y115-F117 HydrophobicContact CD1-CB 4.21Å; Y115-F117 HydrophobicContact CE1-CB 3.97Å; F117-T122 HydrophobicContact CD2-CG2 4.01Å; F117-T122 HydrophobicContact CE2-CG2 3.63Å; F117-P125 HydrophobicContact CE2-CB 4.29Å; F117-P125 HydrophobicContact CZ-CB 4.24Å; F117-L128 HydrophobicContact CB-CD2 4.19Å; F117-L128 HydrophobicContact CD1-CD2 3.97Å; F117-L128 HydrophobicContact CD1-CG 4.19Å; F117-L128 HydrophobicContact CD2-CD2 3.46Å; F117-L128 VanDerWaalsContact CD2-CD2 3.46Å; F117-L128 HydrophobicContact CD2-CG 4.42Å; F117-L128 HydrophobicContact CE1-CD2 4.17Å; F117-L128 HydrophobicContact CE1-CG 4.14Å; F117-L128 HydrophobicContact CE2-CD2 3.7Å; F117-L128 HydrophobicContact CE2-CG 4.39Å; F117-L128 HydrophobicContact CG-CD2 3.6Å; F117-L128 HydrophobicContact CG-CG 4.32Å; F117-L128 HydrophobicContact CZ-CD2 4.04Å; F117-L128 HydrophobicContact CZ-CG 4.23Å; F117-I129 HydrophobicContact CE1-CG1 3.95Å; F117-I129 HydrophobicContact CZ-CG1 3.93Å; F117-I132 HydrophobicContact CD1-CD1 3.63Å; F117-I132 HydrophobicContact CE1-CD1 3.89Å; F117-V139 HydrophobicContact CE1-CG1 4.2Å; F117-G140 WeakPolarHBondContact CD1-O 3.36Å; F117-G140 PolarHBondContact N-O 3.2Å; F117-L141 HydrophobicContact CD2-CD1 3.98Å; F117-L141 HydrophobicContact CE1-CD1 4.1Å; F117-L141 HydrophobicContact CE2-CD1 3.48Å; F117-L141 VanDerWaalsContact CE2-CD1 3.48Å; F117-L141 HydrophobicContact CG-CD1 4.48Å; F117-L141 HydrophobicContact CZ-CD1 3.57Å; F117-A142 PolarHBondContact O-N 2.97Å
118	H	98.9	Very high	98.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	129.9	173.9	-90.4	-85.3	0	0	0	112	F67 H94 E120 A121	F67-H118 HydrophobicContact CE1-CB 3.72Å; F67-H118 AromaticContact CE1-CD2 3.51Å; F67-H118 AromaticContact CE1-CG 3.38Å; F67-H118 AromaticContact CE1-ND1 3.85Å; F67-H118 HydrophobicContact CE2-CB 4.21Å; F67-H118 HydrophobicContact CZ-CB 3.41Å; F67-H118 VanDerWaalsContact CZ-CB 3.41Å; F67-H118 AromaticContact CZ-CG 3.47Å; F67-H118 VanDerWaalsContact CZ-CG 3.47Å; F67-H118 AromaticContact CZ-ND1 3.8Å; H94-H118 AromaticContact CD2-NE2 3.84Å; H94-H118 AromaticContact CE1-NE2 3.79Å; H94-H118 AromaticContact NE2-CD2 3.6Å; H94-H118 AromaticContact NE2-CE1 3.89Å; H94-H118 AromaticContact NE2-NE2 2.9Å; H94-H118 PolarHBondContact NE2-NE2 2.9Å; H118-E120 WeakPolarHBondContact CB-OE2 3.47Å; H118-E120 IonicContact CG-OE2 2.76Å; H118-E120 IonicContact ND1-OE2 3.83Å; H118-E120 PolarHBondContact ND1-OE2 3.42Å; H118-E120 PolarHBondContact O-N 3.25Å; H118-A121 HydrophobicContact CB-CB 4.01Å; H118-A121 WeakPolarHBondContact O-CB 3.17Å; H118-A121 PolarHBondContact O-N 3.05Å
119	L	98.8	Very high	98.7	Very high	18 Å²	18	30.4 Å²	30.4	9%	0.094	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-55.7	-35	175	-178.5	58.5	0	0	0	111.4	A121 P125 L141 A142 I143 E151	L119-A121 PolarHBondContact O-N 2.89Å; L119-P125 HydrophobicContact CD1-CB 4.21Å; L119-P125 HydrophobicContact CD1-CG 3.62Å; L119-L141 HydrophobicContact CB-CD1 3.83Å; L119-L141 HydrophobicContact CB-CG 4.47Å; L119-L141 HydrophobicContact CD1-CD1 4.26Å; L119-L141 HydrophobicContact CD1-CD2 4.46Å; L119-A142 PolarHBondContact N-O 3.25Å; L119-I143 HydrophobicContact CB-CG2 4.02Å; L119-I143 HydrophobicContact CD2-CG2 3.99Å; L119-E151 HydrophobicContact CD2-CB 3.81Å; L119-E151 WeakPolarHBondContact CD2-O 3.45Å
120	E	98.8	Very high	98.7	Very high	61 Å²	61	31.8 Å²	31.8	29%	0.285	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-71.9	-15.3	-178.8	-52.4	86.2	167.5	0	0	113.5	F67 H118 I143 K144 T147	F67-E120 HydrophobicContact CE2-CB 4.06Å; F67-E120 HydrophobicContact CZ-CB 4.2Å; H118-E120 WeakPolarHBondContact CB-OE2 3.47Å; H118-E120 IonicContact CG-OE2 2.76Å; H118-E120 IonicContact ND1-OE2 3.83Å; H118-E120 PolarHBondContact ND1-OE2 3.42Å; H118-E120 PolarHBondContact O-N 3.25Å; E120-I143 WeakPolarHBondContact OE1-CA 3.45Å; E120-K144 WeakPolarHBondContact OE1-CB 3.27Å; E120-K144 PolarHBondContact OE1-N 2.87Å; E120-T147 HydrophobicContact CG-CG2 4.44Å; E120-T147 WeakPolarHBondContact CG-OG1 3.16Å; E120-T147 WeakPolarHBondContact OE1-CB 3.38Å; E120-T147 PolarHBondContact OE1-OG1 2.89Å
121	A	98.6	Very high	98.7	Very high	14 Å²	14	34.1 Å²	34.1	12%	0.116	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-92.2	-3.7	-173.7	0	0	0	0	0	113.9	F67 V97 P100 H118 L119	F67-A121 HydrophobicContact CD2-CB 3.97Å; F67-A121 HydrophobicContact CE2-CB 3.8Å; F67-A121 HydrophobicContact CZ-CB 4.39Å; V97-A121 VanDerWaalsContact O-CB 3.3Å; V97-A121 WeakPolarHBondContact O-CB 3.44Å; P100-A121 WeakPolarHBondContact CD-O 3.47Å; P100-A121 HydrophobicContact CG-CB 4.08Å; H118-A121 HydrophobicContact CB-CB 4.01Å; H118-A121 WeakPolarHBondContact O-CB 3.17Å; H118-A121 PolarHBondContact O-N 3.05Å; L119-A121 PolarHBondContact O-N 2.89Å
122	T	98.5	Very high	98.7	Very high	17 Å²	17	33.1 Å²	33.1	10%	0.104	19%	0.185	C	C	.	.			trans	-138.6	146.7	179.7	-178.1	0	0	0	0	111.9	E101 F117 N124 P125 L128	E101-T122 VanDerWaalsContact OE1-CB 3.26Å; E101-T122 WeakPolarHBondContact OE1-CB 3.47Å; E101-T122 PolarHBondContact OE1-OG1 2.91Å; F117-T122 HydrophobicContact CD2-CG2 4.01Å; F117-T122 HydrophobicContact CE2-CG2 3.63Å; T122-N124 PolarHBondContact OG1-N 3.17Å; T122-N124 VanDerWaalsContact OG1-N 3.08Å; T122-P125 HydrophobicContact CG2-CB 4.3Å; T122-P125 HydrophobicContact CG2-CG 3.98Å; T122-L128 HydrophobicContact CG2-CD2 4.1Å
123	T	97.9	Very high	98.7	Very high	152 Å²	152	37.4 Å²	37.4	93%	0.933	20%	0.199	S	C	*	.	S	Bend	trans	-91.7	-3.9	171.3	59.5	0	0	0	0	112.6
124	N	98.1	Very high	98.7	Very high	72 Å²	72	42.7 Å²	42.7	39%	0.385	22%	0.22	S	C	.	.			trans	-139.2	68.4	-178.3	-164.1	-16.5	0	0	0	112.5	T122 G126 N127 L128	T122-N124 PolarHBondContact OG1-N 3.17Å; T122-N124 VanDerWaalsContact OG1-N 3.08Å; N124-G126 VanDerWaalsContact C-N 3.28Å; N124-G126 PolarHBondContact O-N 2.91Å; N124-N127 PolarHBondContact ND2-ND2 2.91Å; N124-N127 PolarHBondContact O-N 3.19Å; N124-N127 PolarHBondContact OD1-N 2.92Å; N124-L128 PolarHBondContact O-N 3.35Å
125	P	98.5	Very high	98.7	Very high	13 Å²	13	44 Å²	44	8%	0.084	23%	0.23	C	C	.	.	H	α-helix	trans	-56.5	-39.5	-176.9	-22.6	31.5	0	0	0	113.1	F117 L119 T122 N127 L128 I129 W155	F117-P125 HydrophobicContact CE2-CB 4.29Å; F117-P125 HydrophobicContact CZ-CB 4.24Å; L119-P125 HydrophobicContact CD1-CB 4.21Å; L119-P125 HydrophobicContact CD1-CG 3.62Å; T122-P125 HydrophobicContact CG2-CB 4.3Å; T122-P125 HydrophobicContact CG2-CG 3.98Å; P125-N127 PolarHBondContact O-N 2.94Å; P125-L128 PolarHBondContact O-N 3.35Å; P125-I129 WeakPolarHBondContact O-CB 3.32Å; P125-I129 WeakPolarHBondContact O-CG1 3.45Å; P125-I129 PolarHBondContact O-N 2.87Å; P125-W155 HydrophobicContact CB-CD2 4.06Å; P125-W155 HydrophobicContact CB-CE3 4.31Å; P125-W155 HydrophobicContact CB-CH2 4.12Å; P125-W155 HydrophobicContact CB-CZ2 3.84Å; P125-W155 HydrophobicContact CB-CZ3 4.34Å; P125-W155 HydrophobicContact CG-CH2 4.39Å; P125-W155 HydrophobicContact CG-CZ2 3.79Å
126	G	98.6	Very high	98.7	Very high	20 Å²	20	47.4 Å²	47.4	21%	0.206	27%	0.265	C	S	.	.	H	α-helix	trans	-60.2	-41.6	-178.6	0	0	0	0	0	113.8	N124 K130	N124-G126 VanDerWaalsContact C-N 3.28Å; N124-G126 PolarHBondContact O-N 2.91Å; G126-K130 PolarHBondContact O-N 2.88Å; G126-K130 VanDerWaalsContact O-N 3.17Å
127	N	98.7	Very high	98.7	Very high	103 Å²	103	47.9 Å²	47.9	55%	0.551	27%	0.267	S	S	*	.	H	α-helix	trans	-68.7	-40.2	176.1	-81.2	0.6	0	0	0	111.9	N124 P125 K130 E131	N124-N127 PolarHBondContact ND2-ND2 2.91Å; N124-N127 PolarHBondContact O-N 3.19Å; N124-N127 PolarHBondContact OD1-N 2.92Å; P125-N127 PolarHBondContact O-N 2.94Å; N127-K130 WeakPolarHBondContact O-CB 3.4Å; N127-K130 PolarHBondContact O-N 3.46Å; N127-E131 PolarHBondContact O-N 3.45Å
128	L	98.9	Very high	98.7	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-66.4	-43.1	178.2	177.2	54.5	0	0	0	112	P100 E101 V104 F117 T122 N124 P125 K130 E131 I132	P100-L128 HydrophobicContact CB-CD2 3.78Å; P100-L128 HydrophobicContact CG-CD2 3.57Å; E101-L128 HydrophobicContact CG-CD1 4.23Å; V104-L128 HydrophobicContact CG2-CD1 3.5Å; V104-L128 VanDerWaalsContact CG2-CD1 3.5Å; F117-L128 HydrophobicContact CB-CD2 4.19Å; F117-L128 HydrophobicContact CD1-CD2 3.97Å; F117-L128 HydrophobicContact CD1-CG 4.19Å; F117-L128 HydrophobicContact CD2-CD2 3.46Å; F117-L128 VanDerWaalsContact CD2-CD2 3.46Å; F117-L128 HydrophobicContact CD2-CG 4.42Å; F117-L128 HydrophobicContact CE1-CD2 4.17Å; F117-L128 HydrophobicContact CE1-CG 4.14Å; F117-L128 HydrophobicContact CE2-CD2 3.7Å; F117-L128 HydrophobicContact CE2-CG 4.39Å; F117-L128 HydrophobicContact CG-CD2 3.6Å; F117-L128 HydrophobicContact CG-CG 4.32Å; F117-L128 HydrophobicContact CZ-CD2 4.04Å; F117-L128 HydrophobicContact CZ-CG 4.23Å; T122-L128 HydrophobicContact CG2-CD2 4.1Å; N124-L128 PolarHBondContact O-N 3.35Å; P125-L128 PolarHBondContact O-N 3.35Å; L128-K130 PolarHBondContact O-N 3.24Å; L128-E131 PolarHBondContact O-N 3.14Å; L128-E131 VanDerWaalsContact O-N 3.16Å; L128-I132 HydrophobicContact CD1-CD1 3.91Å; L128-I132 HydrophobicContact CD1-CG1 4.04Å; L128-I132 HydrophobicContact CG-CD1 3.88Å; L128-I132 HydrophobicContact CG-CG1 4.49Å; L128-I132 WeakPolarHBondContact O-CD1 3.33Å; L128-I132 VanDerWaalsContact O-CG1 3.27Å; L128-I132 WeakPolarHBondContact O-CG1 3.34Å; L128-I132 PolarHBondContact O-N 3.19Å
129	I	98.9	Very high	98.7	Very high	5 Å²	5	52.6 Å²	52.6	3%	0.026	29%	0.288	C	S	.	.	H	α-helix	trans	-53.4	-46.5	172.2	-69.9	167.7	0	0	0	110.1	F117 P125 R133 V139 W155 Q158 V159	F117-I129 HydrophobicContact CE1-CG1 3.95Å; F117-I129 HydrophobicContact CZ-CG1 3.93Å; P125-I129 WeakPolarHBondContact O-CB 3.32Å; P125-I129 WeakPolarHBondContact O-CG1 3.45Å; P125-I129 PolarHBondContact O-N 2.87Å; I129-R133 WeakPolarHBondContact O-CG 3.45Å; I129-R133 PolarHBondContact O-N 3.1Å; I129-V139 HydrophobicContact CB-CG1 4.4Å; I129-V139 HydrophobicContact CG1-CG1 3.97Å; I129-V139 HydrophobicContact CG2-CG1 4.25Å; I129-V139 HydrophobicContact CG2-CG2 4.27Å; I129-W155 HydrophobicContact CD1-CB 4.31Å; I129-W155 HydrophobicContact CD1-CD2 4.38Å; I129-W155 HydrophobicContact CD1-CE3 3.86Å; I129-Q158 HydrophobicContact CD1-CB 4.37Å; I129-Q158 HydrophobicContact CG2-CB 4.38Å; I129-V159 HydrophobicContact CD1-CG1 4.01Å; I129-V159 HydrophobicContact CG1-CG1 4.38Å
130	K	98.8	Very high	98.7	Very high	119 Å²	119	51.7 Å²	51.7	52%	0.517	28%	0.283	S	S	.	.	H	α-helix	trans	-62.1	-47.6	177.8	180	-179.3	168.9	-176.3	0	111.6	G126 N127 L128 I132 R133 E134	G126-K130 PolarHBondContact O-N 2.88Å; G126-K130 VanDerWaalsContact O-N 3.17Å; N127-K130 WeakPolarHBondContact O-CB 3.4Å; N127-K130 PolarHBondContact O-N 3.46Å; L128-K130 PolarHBondContact O-N 3.24Å; K130-I132 VanDerWaalsContact C-N 3.34Å; K130-I132 PolarHBondContact O-N 3.34Å; K130-R133 PolarHBondContact O-N 3.21Å; K130-E134 WeakPolarHBondContact CE-OE1 3.48Å; K130-E134 HydrophobicContact CG-CG 4.34Å; K130-E134 IonicContact NZ-OE1 3.58Å; K130-E134 WeakPolarHBondContact O-CB 3.07Å; K130-E134 WeakPolarHBondContact O-CG 3.31Å; K130-E134 PolarHBondContact O-N 2.81Å
131	E	98.8	Very high	98.7	Very high	54 Å²	54	48.8 Å²	48.8	25%	0.252	27%	0.27	S	S	.	.	H	α-helix	trans	-61.9	-40.1	-179.5	-172.9	174.9	-176.1	0	0	112.6	V104 N127 L128 E134 S135	V104-E131 HydrophobicContact CB-CG 4.4Å; V104-E131 HydrophobicContact CG1-CG 4.1Å; N127-E131 PolarHBondContact O-N 3.45Å; L128-E131 PolarHBondContact O-N 3.14Å; L128-E131 VanDerWaalsContact O-N 3.16Å; E131-E134 PolarHBondContact O-N 3.35Å; E131-S135 WeakPolarHBondContact O-CB 3.45Å; E131-S135 PolarHBondContact O-N 2.8Å; E131-S135 PolarHBondContact O-OG 3.03Å
132	I	98.9	Very high	98.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.5	-47.2	175.9	-68.1	161.2	0	0	0	110.4	V104 Y115 F117 L128 K130 S135 G136 M137 K138 V139	V104-I132 HydrophobicContact CG1-CB 4.42Å; V104-I132 HydrophobicContact CG1-CG1 3.95Å; V104-I132 HydrophobicContact CG2-CG1 3.95Å; Y115-I132 HydrophobicContact CD1-CD1 3.49Å; Y115-I132 VanDerWaalsContact CD1-CD1 3.49Å; Y115-I132 HydrophobicContact CD1-CG1 3.84Å; Y115-I132 HydrophobicContact CE1-CD1 4.22Å; Y115-I132 HydrophobicContact CG-CD1 4.19Å; Y115-I132 HydrophobicContact CG-CG1 4.16Å; F117-I132 HydrophobicContact CD1-CD1 3.63Å; F117-I132 HydrophobicContact CE1-CD1 3.89Å; L128-I132 HydrophobicContact CD1-CD1 3.91Å; L128-I132 HydrophobicContact CD1-CG1 4.04Å; L128-I132 HydrophobicContact CG-CD1 3.88Å; L128-I132 HydrophobicContact CG-CG1 4.49Å; L128-I132 WeakPolarHBondContact O-CD1 3.33Å; L128-I132 VanDerWaalsContact O-CG1 3.27Å; L128-I132 WeakPolarHBondContact O-CG1 3.34Å; L128-I132 PolarHBondContact O-N 3.19Å; K130-I132 VanDerWaalsContact C-N 3.34Å; K130-I132 PolarHBondContact O-N 3.34Å; I132-S135 PolarHBondContact O-N 3.01Å; I132-G136 PolarHBondContact O-N 3.32Å; I132-M137 HydrophobicContact CG2-CB 3.91Å; I132-M137 HydrophobicContact CG2-CE 4.33Å; I132-M137 PolarHBondContact O-N 2.95Å; I132-K138 WeakPolarHBondContact CG2-O 3.34Å; I132-V139 HydrophobicContact CB-CG2 4.07Å; I132-V139 HydrophobicContact CD1-CG1 4.39Å; I132-V139 HydrophobicContact CG2-CB 4.42Å; I132-V139 HydrophobicContact CG2-CG2 3.68Å
133	R	98.8	Very high	98.7	Very high	102 Å²	102	47.3 Å²	47.3	39%	0.385	26%	0.259	S	S	.	.	H	α-helix	trans	-65.3	-43	178.2	-68.9	-171.8	-179.6	-70.5	6.7	112.3	I129 K130 S135 G136 V139 Q158 D160	I129-R133 WeakPolarHBondContact O-CG 3.45Å; I129-R133 PolarHBondContact O-N 3.1Å; K130-R133 PolarHBondContact O-N 3.21Å; R133-S135 PolarHBondContact O-N 2.87Å; R133-G136 PolarHBondContact O-N 2.94Å; R133-V139 HydrophobicContact CG-CG2 3.46Å; R133-V139 VanDerWaalsContact CG-CG2 3.46Å; R133-Q158 PolarHBondContact NE-O 3.28Å; R133-Q158 PolarHBondContact NH2-O 2.61Å; R133-D160 IonicContact CZ-OD1 3.33Å; R133-D160 IonicContact CZ-OD2 2.89Å; R133-D160 IonicContact NH1-OD1 3.81Å; R133-D160 PolarHBondContact NH1-OD1 3.25Å; R133-D160 IonicContact NH1-OD2 3.01Å; R133-D160 PolarHBondContact NH1-OD2 3.34Å; R133-D160 IonicContact NH2-OD1 3.97Å; R133-D160 PolarHBondContact NH2-OD1 3.18Å; R133-D160 IonicContact NH2-OD2 3.05Å; R133-D160 PolarHBondContact NH2-OD2 3.1Å
134	E	98.8	Very high	98.8	Very high	140 Å²	140	42.3 Å²	42.3	65%	0.654	23%	0.225	S	C	*	.	H	α-helix	trans	-63.3	-25.3	175.9	-73.7	178.8	162.9	0	0	112.4	K130 E131 G136	K130-E134 WeakPolarHBondContact CE-OE1 3.48Å; K130-E134 HydrophobicContact CG-CG 4.34Å; K130-E134 IonicContact NZ-OE1 3.58Å; K130-E134 WeakPolarHBondContact O-CB 3.07Å; K130-E134 WeakPolarHBondContact O-CG 3.31Å; K130-E134 PolarHBondContact O-N 2.81Å; E131-E134 PolarHBondContact O-N 3.35Å; E134-G136 VanDerWaalsContact C-N 3.28Å
135	S	98.7	Very high	98.8	Very high	34 Å²	34	39.6 Å²	39.6	24%	0.238	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	2.9	173.7	-55.4	0	0	0	0	113.7	V104 E131 I132 R133	V104-S135 WeakPolarHBondContact CG1-OG 3.37Å; E131-S135 WeakPolarHBondContact O-CB 3.45Å; E131-S135 PolarHBondContact O-N 2.8Å; E131-S135 PolarHBondContact O-OG 3.03Å; I132-S135 PolarHBondContact O-N 3.01Å; R133-S135 PolarHBondContact O-N 2.87Å
136	G	98.6	Very high	98.8	Very high	71 Å²	71	42.3 Å²	42.3	73%	0.732	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	83	9.8	174.5	0	0	0	0	0	115.5	I132 R133 E134	I132-G136 PolarHBondContact O-N 3.32Å; R133-G136 PolarHBondContact O-N 2.94Å; E134-G136 VanDerWaalsContact C-N 3.28Å
137	M	98.9	Very high	98.8	Very high	9 Å²	9	42 Å²	42	4%	0.044	24%	0.235	C	C	.	.			trans	-98.7	155.5	178.4	-65.1	-178.1	-64.3	0	0	111.7	V104 M107 A108 A112 Y115 I132	V104-M137 HydrophobicContact CG1-CE 3.64Å; V104-M137 WeakPolarHBondContact O-CE 3.41Å; M107-M137 HydrophobicContact CB-SD 4.38Å; A108-M137 HydrophobicContact CB-CE 3.88Å; A108-M137 HydrophobicContact CB-CG 4.19Å; A108-M137 HydrophobicContact CB-SD 3.91Å; A112-M137 HydrophobicContact CB-SD 3.67Å; Y115-M137 HydrophobicContact CD2-CE 3.86Å; Y115-M137 HydrophobicContact CD2-SD 4.34Å; Y115-M137 HydrophobicContact CG-CE 4.11Å; I132-M137 HydrophobicContact CG2-CB 3.91Å; I132-M137 HydrophobicContact CG2-CE 4.33Å; I132-M137 PolarHBondContact O-N 2.95Å
138	K	98.9	Very high	98.8	Very high	99 Å²	99	40.3 Å²	40.3	43%	0.43	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	156.4	163.7	-67	-167	-176.5	178.8	0	111.1	F90 S113 Q114 Y115 I132 D160	F90-K138 HydrophobicContact CE2-CD 3.92Å; F90-K138 HydrophobicContact CZ-CD 3.97Å; S113-K138 PolarHBondContact O-N 3.43Å; Q114-K138 WeakPolarHBondContact CA-O 3.47Å; Q114-K138 HydrophobicContact CB-CB 3.95Å; Q114-K138 HydrophobicContact CG-CB 4Å; Y115-K138 PolarHBondContact N-O 3.16Å; I132-K138 WeakPolarHBondContact CG2-O 3.34Å; K138-D160 VanDerWaalsContact CA-OD2 3.23Å; K138-D160 WeakPolarHBondContact CA-OD2 3.46Å; K138-D160 HydrophobicContact CB-CB 4.26Å; K138-D160 WeakPolarHBondContact CB-OD2 3.27Å; K138-D160 HydrophobicContact CD-CB 4.44Å
139	V	98.9	Very high	98.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	117.6	-176.6	-173.3	0	0	0	0	110.4	F117 I129 I132 R133 V159 D160 M161	F117-V139 HydrophobicContact CE1-CG1 4.2Å; I129-V139 HydrophobicContact CB-CG1 4.4Å; I129-V139 HydrophobicContact CG1-CG1 3.97Å; I129-V139 HydrophobicContact CG2-CG1 4.25Å; I129-V139 HydrophobicContact CG2-CG2 4.27Å; I132-V139 HydrophobicContact CB-CG2 4.07Å; I132-V139 HydrophobicContact CD1-CG1 4.39Å; I132-V139 HydrophobicContact CG2-CB 4.42Å; I132-V139 HydrophobicContact CG2-CG2 3.68Å; R133-V139 HydrophobicContact CG-CG2 3.46Å; R133-V139 VanDerWaalsContact CG-CG2 3.46Å; V139-V159 HydrophobicContact CG1-CB 4.21Å; V139-V159 HydrophobicContact CG1-CG1 3.85Å; V139-D160 PolarHBondContact N-OD2 2.92Å; V139-D160 PolarHBondContact O-N 3.05Å; V139-M161 PolarHBondContact O-N 2.99Å
140	G	98.9	Very high	98.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	149	163.2	0	0	0	0	0	111.1	Y115 T116 F117 M161	Y115-G140 PolarHBondContact O-N 2.98Å; T116-G140 WeakPolarHBondContact CA-O 3.27Å; T116-G140 WeakPolarHBondContact OG1-CA 3.44Å; F117-G140 WeakPolarHBondContact CD1-O 3.36Å; F117-G140 PolarHBondContact N-O 3.2Å; G140-M161 WeakPolarHBondContact CA-O 3.37Å
141	L	98.9	Very high	98.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	116.7	173.1	-179	59.5	0	0	0	110.2	F117 L119 L152 W155 V159 M161 A162 L163	F117-L141 HydrophobicContact CD2-CD1 3.98Å; F117-L141 HydrophobicContact CE1-CD1 4.1Å; F117-L141 HydrophobicContact CE2-CD1 3.48Å; F117-L141 VanDerWaalsContact CE2-CD1 3.48Å; F117-L141 HydrophobicContact CG-CD1 4.48Å; F117-L141 HydrophobicContact CZ-CD1 3.57Å; L119-L141 HydrophobicContact CB-CD1 3.83Å; L119-L141 HydrophobicContact CB-CG 4.47Å; L119-L141 HydrophobicContact CD1-CD1 4.26Å; L119-L141 HydrophobicContact CD1-CD2 4.46Å; L141-L152 HydrophobicContact CB-CD1 4.47Å; L141-L152 HydrophobicContact CD2-CD1 4.29Å; L141-L152 HydrophobicContact CD2-CG 3.94Å; L141-L152 HydrophobicContact CG-CD1 4.07Å; L141-L152 HydrophobicContact CG-CG 4.29Å; L141-W155 HydrophobicContact CD2-CB 3.57Å; L141-W155 HydrophobicContact CD2-CG 3.95Å; L141-V159 HydrophobicContact CB-CG1 3.89Å; L141-V159 HydrophobicContact CD2-CG1 4.3Å; L141-M161 PolarHBondContact N-O 3.31Å; L141-A162 CarbonylContact O-C 3.43Å; L141-A162 WeakPolarHBondContact O-CA 3.27Å; L141-L163 PolarHBondContact O-N 3.22Å
142	A	98.9	Very high	98.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	148.2	-179	0	0	0	0	0	112.1	T116 F117 L119 L163	T116-A142 HydrophobicContact CG2-CB 4.11Å; F117-A142 PolarHBondContact O-N 2.97Å; L119-A142 PolarHBondContact N-O 3.25Å; A142-L163 CarbonylContact C-O 3.58Å; A142-L163 VanDerWaalsContact CA-O 3.29Å; A142-L163 WeakPolarHBondContact CA-O 3.5Å; A142-L163 HydrophobicContact CB-CB 3.89Å; A142-L163 HydrophobicContact CB-CD2 3.86Å; A142-L163 HydrophobicContact CB-CG 3.98Å
143	I	98.9	Very high	98.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	139.5	166.7	51.9	169.4	0	0	0	110.9	L119 E120 T147 V149 L152 L163 M165 K183	L119-I143 HydrophobicContact CB-CG2 4.02Å; L119-I143 HydrophobicContact CD2-CG2 3.99Å; E120-I143 WeakPolarHBondContact OE1-CA 3.45Å; I143-T147 HydrophobicContact CB-CG2 4.25Å; I143-T147 HydrophobicContact CG2-CG2 3.9Å; I143-V149 HydrophobicContact CD1-CB 4.41Å; I143-V149 HydrophobicContact CD1-CG2 4.44Å; I143-L152 HydrophobicContact CD1-CD1 4.45Å; I143-L152 HydrophobicContact CG1-CD1 4.25Å; I143-L152 HydrophobicContact CG2-CB 4.17Å; I143-L152 HydrophobicContact CG2-CD1 4Å; I143-L163 PolarHBondContact N-O 3.02Å; I143-M165 WeakPolarHBondContact O-CB 3.49Å; I143-M165 VanDerWaalsContact O-CG 3.25Å; I143-M165 WeakPolarHBondContact O-CG 3.22Å; I143-M165 PolarHBondContact O-N 2.81Å; I143-M165 VanDerWaalsContact O-N 3.12Å; I143-K183 HydrophobicContact CD1-CD 4.25Å
144	K	98.8	Very high	98.5	Very high	47 Å²	47	42.1 Å²	42.1	20%	0.204	26%	0.255	C	S	.	.			trans	-73.7	166	174.2	-61.3	-159.6	-56.9	157.9	0	111.7	F67 E120 G146 T147 E168 P169 K183	F67-K144 HydrophobicContact CE1-CD 4.36Å; F67-K144 HydrophobicContact CZ-CD 4.1Å; E120-K144 WeakPolarHBondContact OE1-CB 3.27Å; E120-K144 PolarHBondContact OE1-N 2.87Å; K144-G146 VanDerWaalsContact C-N 3.25Å; K144-G146 PolarHBondContact O-N 3.24Å; K144-T147 PolarHBondContact O-N 2.93Å; K144-T147 VanDerWaalsContact O-N 3.12Å; K144-E168 IonicContact NZ-OE1 2.81Å; K144-E168 PolarHBondContact NZ-OE1 3.28Å; K144-P169 HydrophobicContact CD-CG 3.48Å; K144-P169 VanDerWaalsContact CD-CG 3.48Å; K144-P169 HydrophobicContact CG-CG 3.85Å; K144-K183 PolarHBondContact O-NZ 3.34Å
145	P	98.7	Very high	98.5	Very high	14 Å²	14	38.3 Å²	38.3	9%	0.091	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-35.4	177	-27.5	36.5	0	0	0	114.3	T147 M165 V167 M177 M180 K183	P145-T147 VanDerWaalsContact C-N 3.32Å; P145-T147 PolarHBondContact O-N 3.17Å; P145-M165 HydrophobicContact CG-CB 4.42Å; P145-V167 WeakPolarHBondContact CD-O 3.39Å; P145-V167 VanDerWaalsContact CG-O 3.25Å; P145-V167 WeakPolarHBondContact CG-O 3.43Å; P145-M177 HydrophobicContact CB-CE 3.76Å; P145-M177 HydrophobicContact CB-SD 3.89Å; P145-M177 HydrophobicContact CG-CE 4.31Å; P145-M177 HydrophobicContact CG-SD 3.76Å; P145-M180 VanDerWaalsContact CA-SD 3.56Å; P145-M180 HydrophobicContact CB-CE 4.3Å; P145-M180 HydrophobicContact CB-SD 3.74Å; P145-M180 HydrophobicContact CG-SD 4.47Å; P145-K183 PolarHBondContact O-NZ 3.3Å
146	G	98.4	Very high	98.5	Very high	70 Å²	70	36.9 Å²	36.9	72%	0.722	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73	-17.3	179.1	0	0	0	0	0	115.5	K144	K144-G146 VanDerWaalsContact C-N 3.25Å; K144-G146 PolarHBondContact O-N 3.24Å
147	T	98.6	Very high	98.4	Very high	15 Å²	15	40 Å²	40	9%	0.092	23%	0.225	C	C	.	.	S	Bend	trans	-91	135.2	-174.3	-53.8	0	0	0	0	110.7	E120 I143 K144 P145 E151 K183	E120-T147 HydrophobicContact CG-CG2 4.44Å; E120-T147 WeakPolarHBondContact CG-OG1 3.16Å; E120-T147 WeakPolarHBondContact OE1-CB 3.38Å; E120-T147 PolarHBondContact OE1-OG1 2.89Å; I143-T147 HydrophobicContact CB-CG2 4.25Å; I143-T147 HydrophobicContact CG2-CG2 3.9Å; K144-T147 PolarHBondContact O-N 2.93Å; K144-T147 VanDerWaalsContact O-N 3.12Å; P145-T147 VanDerWaalsContact C-N 3.32Å; P145-T147 PolarHBondContact O-N 3.17Å; T147-E151 HydrophobicContact CG2-CB 4.28Å; T147-K183 WeakPolarHBondContact O-CE 3.42Å; T147-K183 PolarHBondContact O-NZ 3.43Å
148	T	98.5	Very high	98.4	Very high	66 Å²	66	43.8 Å²	43.8	41%	0.405	24%	0.242	S	C	.	.			trans	-73.8	148.8	-176.6	65.1	0	0	0	0	111	E150 E151	T148-E150 WeakPolarHBondContact CB-OE2 3.33Å; T148-E150 PolarHBondContact O-N 2.8Å; T148-E151 PolarHBondContact N-OE1 2.94Å; T148-E151 PolarHBondContact O-N 3.46Å; T148-E151 WeakPolarHBondContact OG1-CG 3.31Å; T148-E151 PolarHBondContact OG1-OE1 2.82Å
149	V	98.4	Very high	98.4	Very high	7 Å²	7	39.6 Å²	39.6	4%	0.042	23%	0.225	C	C	.	.	H	α-helix	trans	-70.2	-25.8	-178.3	68.4	0	0	0	0	111.8	I143 E151 L152 A153 K183 W186 L187	I143-V149 HydrophobicContact CD1-CB 4.41Å; I143-V149 HydrophobicContact CD1-CG2 4.44Å; V149-E151 PolarHBondContact O-N 2.91Å; V149-L152 PolarHBondContact O-N 3.19Å; V149-L152 VanDerWaalsContact O-N 3.11Å; V149-A153 PolarHBondContact O-N 2.9Å; V149-K183 HydrophobicContact CB-CB 3.93Å; V149-K183 HydrophobicContact CB-CD 4.39Å; V149-K183 HydrophobicContact CB-CG 4.05Å; V149-K183 HydrophobicContact CG1-CB 4.5Å; V149-K183 HydrophobicContact CG2-CB 4.06Å; V149-W186 HydrophobicContact CB-CE3 4.41Å; V149-W186 HydrophobicContact CG1-CB 4.2Å; V149-W186 HydrophobicContact CG1-CD2 3.85Å; V149-W186 HydrophobicContact CG1-CE3 3.78Å; V149-W186 HydrophobicContact CG1-CG 4.04Å; V149-W186 HydrophobicContact CG1-CZ3 4.43Å; V149-W186 HydrophobicContact CG2-CE3 3.77Å; V149-W186 HydrophobicContact CG2-CZ3 4.29Å; V149-L187 HydrophobicContact CG2-CD1 3.89Å; V149-L187 HydrophobicContact CG2-CD2 3.7Å; V149-L187 HydrophobicContact CG2-CG 3.44Å; V149-L187 VanDerWaalsContact CG2-CG 3.44Å
150	E	98.3	Very high	98.4	Very high	105 Å²	105	42 Å²	42	49%	0.491	24%	0.238	S	C	.	.	H	α-helix	trans	-62.2	-27.3	175.3	-67	80	-179.8	0	0	112.5	T148 L152 A153 P154 W186	T148-E150 WeakPolarHBondContact CB-OE2 3.33Å; T148-E150 PolarHBondContact O-N 2.8Å; E150-L152 VanDerWaalsContact C-N 3.34Å; E150-A153 PolarHBondContact O-N 2.82Å; E150-P154 WeakPolarHBondContact O-CD 2.78Å; E150-W186 HydrophobicContact CG-CZ2 4.41Å
151	E	98.4	Very high	98.4	Very high	98 Å²	98	42.1 Å²	42.1	46%	0.458	24%	0.238	S	C	.	.	H	α-helix	trans	-71	-29.6	175.2	-71.3	169.5	-102.9	0	0	112.4	L119 T147 T148 V149 P154	L119-E151 HydrophobicContact CD2-CB 3.81Å; L119-E151 WeakPolarHBondContact CD2-O 3.45Å; T147-E151 HydrophobicContact CG2-CB 4.28Å; T148-E151 PolarHBondContact N-OE1 2.94Å; T148-E151 PolarHBondContact O-N 3.46Å; T148-E151 WeakPolarHBondContact OG1-CG 3.31Å; T148-E151 PolarHBondContact OG1-OE1 2.82Å; V149-E151 PolarHBondContact O-N 2.91Å; E151-P154 WeakPolarHBondContact O-CD 3.47Å
152	L	98	Very high	98.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-78	-31.8	175.8	-172.6	149.1	0	0	0	111.9	L141 I143 V149 E150 W155 A156 A162 L187	L141-L152 HydrophobicContact CB-CD1 4.47Å; L141-L152 HydrophobicContact CD2-CD1 4.29Å; L141-L152 HydrophobicContact CD2-CG 3.94Å; L141-L152 HydrophobicContact CG-CD1 4.07Å; L141-L152 HydrophobicContact CG-CG 4.29Å; I143-L152 HydrophobicContact CD1-CD1 4.45Å; I143-L152 HydrophobicContact CG1-CD1 4.25Å; I143-L152 HydrophobicContact CG2-CB 4.17Å; I143-L152 HydrophobicContact CG2-CD1 4Å; V149-L152 PolarHBondContact O-N 3.19Å; V149-L152 VanDerWaalsContact O-N 3.11Å; E150-L152 VanDerWaalsContact C-N 3.34Å; L152-W155 WeakPolarHBondContact O-CB 3.01Å; L152-W155 PolarHBondContact O-N 2.74Å; L152-A156 HydrophobicContact CD2-CB 4.25Å; L152-A156 PolarHBondContact O-N 3.24Å; L152-A162 HydrophobicContact CD1-CB 3.94Å; L152-A162 HydrophobicContact CD2-CB 3.89Å; L152-L187 HydrophobicContact CD2-CD2 3.78Å
153	A	96.4	Very high	98.4	Very high	21 Å²	21	42.1 Å²	42.1	17%	0.174	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-51.3	-39.9	-171.3	0	0	0	0	0	116.1	V149 E150 W155 A156 W186 F191	V149-A153 PolarHBondContact O-N 2.9Å; E150-A153 PolarHBondContact O-N 2.82Å; A153-W155 PolarHBondContact O-N 3.45Å; A153-W155 VanDerWaalsContact O-N 3.13Å; A153-A156 PolarHBondContact O-N 2.78Å; A153-W186 HydrophobicContact CB-CH2 3.53Å; A153-W186 HydrophobicContact CB-CZ3 3.74Å; A153-F191 HydrophobicContact CB-CE2 4.18Å; A153-F191 HydrophobicContact CB-CZ 4.13Å; A153-F191 WeakPolarHBondContact O-CZ 3.32Å
154	P	98.4	Very high	98.4	Very high	88 Å²	88	42.1 Å²	42.1	57%	0.571	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-60.7	-22.1	177	-24.5	36	0	0	0	114.2	E150 E151 Q158	E150-P154 WeakPolarHBondContact O-CD 2.78Å; E151-P154 WeakPolarHBondContact O-CD 3.47Å; P154-Q158 PolarHBondContact O-NE2 2.89Å
155	W	98.4	Very high	98.4	Very high	61 Å²	61	40 Å²	40	23%	0.231	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-102.3	-13.5	-175.2	-48	107.2	0	0	0	113	P125 I129 L141 L152 A153 N157 Q158 V159	P125-W155 HydrophobicContact CB-CD2 4.06Å; P125-W155 HydrophobicContact CB-CE3 4.31Å; P125-W155 HydrophobicContact CB-CH2 4.12Å; P125-W155 HydrophobicContact CB-CZ2 3.84Å; P125-W155 HydrophobicContact CB-CZ3 4.34Å; P125-W155 HydrophobicContact CG-CH2 4.39Å; P125-W155 HydrophobicContact CG-CZ2 3.79Å; I129-W155 HydrophobicContact CD1-CB 4.31Å; I129-W155 HydrophobicContact CD1-CD2 4.38Å; I129-W155 HydrophobicContact CD1-CE3 3.86Å; L141-W155 HydrophobicContact CD2-CB 3.57Å; L141-W155 HydrophobicContact CD2-CG 3.95Å; L152-W155 WeakPolarHBondContact O-CB 3.01Å; L152-W155 PolarHBondContact O-N 2.74Å; A153-W155 PolarHBondContact O-N 3.45Å; A153-W155 VanDerWaalsContact O-N 3.13Å; W155-N157 PolarHBondContact O-N 2.92Å; W155-N157 VanDerWaalsContact O-N 3.1Å; W155-Q158 WeakPolarHBondContact O-CA 3.49Å; W155-Q158 WeakPolarHBondContact O-CB 3.32Å; W155-Q158 PolarHBondContact O-N 3.19Å; W155-V159 PolarHBondContact O-N 3.41Å
156	A	97.6	Very high	98.3	Very high	3 Å²	3	39.3 Å²	39.3	3%	0.025	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-34.4	-172.2	0	0	0	0	0	114.3	L152 A153 Q158 F191 L194	L152-A156 HydrophobicContact CD2-CB 4.25Å; L152-A156 PolarHBondContact O-N 3.24Å; A153-A156 PolarHBondContact O-N 2.78Å; A156-Q158 VanDerWaalsContact C-N 3.3Å; A156-F191 HydrophobicContact CB-CD1 3.72Å; A156-F191 HydrophobicContact CB-CD2 3.69Å; A156-F191 HydrophobicContact CB-CE1 3.58Å; A156-F191 HydrophobicContact CB-CE2 3.55Å; A156-F191 HydrophobicContact CB-CG 3.78Å; A156-F191 HydrophobicContact CB-CZ 3.49Å; A156-F191 VanDerWaalsContact CB-CZ 3.49Å; A156-L194 HydrophobicContact CB-CD2 4.12Å
157	N	97.4	Very high	98.3	Very high	138 Å²	138	36.4 Å²	36.4	74%	0.738	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-2	177.1	-66.8	-39.5	0	0	0	114	W155	W155-N157 PolarHBondContact O-N 2.92Å; W155-N157 VanDerWaalsContact O-N 3.1Å
158	Q	98.2	Very high	98.3	Very high	87 Å²	87	39.5 Å²	39.5	41%	0.407	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-9	-178.5	-59.5	180	66.2	0	0	112.3	I129 R133 P154 W155 A156	I129-Q158 HydrophobicContact CD1-CB 4.37Å; I129-Q158 HydrophobicContact CG2-CB 4.38Å; R133-Q158 PolarHBondContact NE-O 3.28Å; R133-Q158 PolarHBondContact NH2-O 2.61Å; P154-Q158 PolarHBondContact O-NE2 2.89Å; W155-Q158 WeakPolarHBondContact O-CA 3.49Å; W155-Q158 WeakPolarHBondContact O-CB 3.32Å; W155-Q158 PolarHBondContact O-N 3.19Å; A156-Q158 VanDerWaalsContact C-N 3.3Å
159	V	98.7	Very high	98.1	Very high	11 Å²	11	36.8 Å²	36.8	7%	0.067	19%	0.19	C	C	.	.			trans	-109.2	157.5	-180	-56.6	0	0	0	0	110.2	I129 V139 L141 W155 L194	I129-V159 HydrophobicContact CD1-CG1 4.01Å; I129-V159 HydrophobicContact CG1-CG1 4.38Å; V139-V159 HydrophobicContact CG1-CB 4.21Å; V139-V159 HydrophobicContact CG1-CG1 3.85Å; L141-V159 HydrophobicContact CB-CG1 3.89Å; L141-V159 HydrophobicContact CD2-CG1 4.3Å; W155-V159 PolarHBondContact O-N 3.41Å; V159-L194 HydrophobicContact CG2-CD1 4.19Å
160	D	98.8	Very high	97.8	Very high	52 Å²	52	36.6 Å²	36.6	28%	0.278	19%	0.189	S	C	.	.	S	Bend	trans	-88.1	-27.3	176.7	-55	-48.6	0	0	0	111	R133 K138 V139	R133-D160 IonicContact CZ-OD1 3.33Å; R133-D160 IonicContact CZ-OD2 2.89Å; R133-D160 IonicContact NH1-OD1 3.81Å; R133-D160 PolarHBondContact NH1-OD1 3.25Å; R133-D160 IonicContact NH1-OD2 3.01Å; R133-D160 PolarHBondContact NH1-OD2 3.34Å; R133-D160 IonicContact NH2-OD1 3.97Å; R133-D160 PolarHBondContact NH2-OD1 3.18Å; R133-D160 IonicContact NH2-OD2 3.05Å; R133-D160 PolarHBondContact NH2-OD2 3.1Å; K138-D160 VanDerWaalsContact CA-OD2 3.23Å; K138-D160 WeakPolarHBondContact CA-OD2 3.46Å; K138-D160 HydrophobicContact CB-CB 4.26Å; K138-D160 WeakPolarHBondContact CB-OD2 3.27Å; K138-D160 HydrophobicContact CD-CB 4.44Å; V139-D160 PolarHBondContact N-OD2 2.92Å; V139-D160 PolarHBondContact O-N 3.05Å
161	M	98.9	Very high	97.2	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	143.6	-179.5	-172.7	-167.9	79.1	0	0	111.4	Q114 T116 V139 G140 L141 L163 D195 E197 M217	Q114-M161 PolarHBondContact NE2-SD 3.31Å; T116-M161 HydrophobicContact CG2-CE 3.89Å; T116-M161 WeakPolarHBondContact OG1-CE 3.24Å; V139-M161 PolarHBondContact O-N 2.99Å; G140-M161 WeakPolarHBondContact CA-O 3.37Å; L141-M161 PolarHBondContact N-O 3.31Å; M161-L163 HydrophobicContact CE-CB 4.16Å; M161-D195 WeakPolarHBondContact CA-O 3.18Å; M161-D195 HydrophobicContact CB-CB 4.34Å; M161-D195 HydrophobicContact CG-CB 4.22Å; M161-E197 HydrophobicContact CE-CB 4Å; M161-E197 HydrophobicContact CE-CG 4.48Å; M161-E197 WeakPolarHBondContact CE-OE2 3.45Å; M161-E197 HydrophobicContact CG-CB 4.08Å; M161-E197 HydrophobicContact SD-CB 3.65Å; M161-E197 HydrophobicContact SD-CG 4.21Å; M161-M217 HydrophobicContact CG-SD 3.98Å; M161-M217 HydrophobicContact SD-CE 3.65Å; M161-M217 HydrophobicContact SD-SD 3.64Å; M161-M217 VanDerWaalsContact SD-SD 3.64Å
162	A	98.9	Very high	96.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	128.6	166.7	0	0	0	0	0	110.4	L141 L152 L187 L194 D195 I196 E197	L141-A162 CarbonylContact O-C 3.43Å; L141-A162 WeakPolarHBondContact O-CA 3.27Å; L152-A162 HydrophobicContact CD1-CB 3.94Å; L152-A162 HydrophobicContact CD2-CB 3.89Å; A162-L187 HydrophobicContact CB-CD1 4.16Å; A162-L194 HydrophobicContact CB-CD2 3.84Å; A162-L194 HydrophobicContact CB-CG 4.44Å; A162-D195 PolarHBondContact N-O 3.31Å; A162-I196 WeakPolarHBondContact O-CA 3.37Å; A162-E197 PolarHBondContact O-N 3.43Å
163	L	98.9	Very high	95.7	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	119.7	175.9	169.7	57.5	0	0	0	110.4	T116 L141 A142 I143 M161 M165 E197 D199	T116-L163 HydrophobicContact CG2-CB 4.04Å; T116-L163 HydrophobicContact CG2-CD2 3.95Å; L141-L163 PolarHBondContact O-N 3.22Å; A142-L163 CarbonylContact C-O 3.58Å; A142-L163 VanDerWaalsContact CA-O 3.29Å; A142-L163 WeakPolarHBondContact CA-O 3.5Å; A142-L163 HydrophobicContact CB-CB 3.89Å; A142-L163 HydrophobicContact CB-CD2 3.86Å; A142-L163 HydrophobicContact CB-CG 3.98Å; I143-L163 PolarHBondContact N-O 3.02Å; M161-L163 HydrophobicContact CE-CB 4.16Å; L163-M165 HydrophobicContact CD1-SD 4.49Å; L163-M165 HydrophobicContact CD2-SD 4.02Å; L163-M165 HydrophobicContact CG-SD 4.2Å; L163-E197 HydrophobicContact CB-CB 4.34Å; L163-E197 HydrophobicContact CD1-CB 3.95Å; L163-E197 HydrophobicContact CD1-CG 3.87Å; L163-D199 HydrophobicContact CD1-CB 3.75Å
164	V	98.9	Very high	95.4	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	110.1	170.1	-178.8	0	0	0	0	108.5	T166 M180 K183 V184 L187 E197 V198	V164-T166 PolarHBondContact O-N 2.93Å; V164-M180 HydrophobicContact CG1-CB 4.35Å; V164-K183 HydrophobicContact CG1-CB 4.14Å; V164-K183 HydrophobicContact CG1-CD 4.25Å; V164-V184 HydrophobicContact CB-CG2 4.03Å; V164-V184 HydrophobicContact CG1-CG2 4.11Å; V164-V184 HydrophobicContact CG2-CG2 4.1Å; V164-L187 HydrophobicContact CG2-CD1 3.75Å; V164-E197 PolarHBondContact N-O 3.12Å; V164-V198 WeakPolarHBondContact O-CA 3.18Å
165	M	98.8	Very high	95.3	Very high	2 Å²	2	45 Å²	45	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	133.1	172.9	-64.8	-58.6	-58.8	0	0	110.6	H94 I143 P145 L163 V167 P169 D199	H94-M165 PolarHBondContact CE1-SD 3.32Å; I143-M165 WeakPolarHBondContact O-CB 3.49Å; I143-M165 VanDerWaalsContact O-CG 3.25Å; I143-M165 WeakPolarHBondContact O-CG 3.22Å; I143-M165 PolarHBondContact O-N 2.81Å; I143-M165 VanDerWaalsContact O-N 3.12Å; P145-M165 HydrophobicContact CG-CB 4.42Å; L163-M165 HydrophobicContact CD1-SD 4.49Å; L163-M165 HydrophobicContact CD2-SD 4.02Å; L163-M165 HydrophobicContact CG-SD 4.2Å; M165-V167 HydrophobicContact CE-CG2 4.31Å; M165-P169 HydrophobicContact CE-CB 4Å; M165-D199 HydrophobicContact CE-CB 4.43Å; M165-D199 WeakPolarHBondContact CE-OD2 3.41Å; M165-D199 HydrophobicContact SD-CB 4.25Å
166	T	98.6	Very high	95.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.238	C	C	.	.	S	Bend	trans	-111.7	13.8	177.1	53.8	0	0	0	0	113	V164 F176 M177 M180 M181 V198 D199 G200	V164-T166 PolarHBondContact O-N 2.93Å; T166-F176 HydrophobicContact CG2-CD2 4.38Å; T166-F176 HydrophobicContact CG2-CE2 3.75Å; T166-F176 HydrophobicContact CG2-CZ 4.43Å; T166-M177 VanDerWaalsContact O-CB 3.29Å; T166-M177 WeakPolarHBondContact O-CB 3.23Å; T166-M177 WeakPolarHBondContact O-CG 3.41Å; T166-M177 PolarHBondContact O-N 2.97Å; T166-M180 HydrophobicContact CG2-CB 3.97Å; T166-M181 HydrophobicContact CG2-CE 3.62Å; T166-V198 HydrophobicContact CG2-CB 4.24Å; T166-V198 HydrophobicContact CG2-CG1 4.21Å; T166-D199 PolarHBondContact N-O 2.91Å; T166-D199 VanDerWaalsContact OG1-C 3.31Å; T166-D199 PolarHBondContact OG1-O 2.8Å; T166-G200 PolarHBondContact OG1-O 3.06Å
167	V	97.6	Very high	95.3	Very high	8 Å²	8	45.3 Å²	45.3	5%	0.048	25%	0.25	C	C	.	.	S	Bend	trans	-146.9	165.9	165.3	-60.4	0	0	0	0	108.7	P145 M165 Q174	P145-V167 WeakPolarHBondContact CD-O 3.39Å; P145-V167 VanDerWaalsContact CG-O 3.25Å; P145-V167 WeakPolarHBondContact CG-O 3.43Å; M165-V167 HydrophobicContact CE-CG2 4.31Å; V167-Q174 HydrophobicContact CB-CB 3.87Å; V167-Q174 HydrophobicContact CG1-CB 3.64Å; V167-Q174 HydrophobicContact CG2-CB 4.44Å
168	E	97.6	Very high	95.4	Very high	81 Å²	81	43.9 Å²	43.9	38%	0.379	24%	0.238	S	C	.	.			trans	-71.9	127.1	168.7	-170.7	65.1	-157.2	0	0	108.9	K144 Q174	K144-E168 IonicContact NZ-OE1 2.81Å; K144-E168 PolarHBondContact NZ-OE1 3.28Å; E168-Q174 PolarHBondContact O-NE2 3.32Å
169	P	95.4	Very high	95.4	Very high	9 Å²	9	44.6 Å²	44.6	6%	0.058	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	152.7	-174.8	25.7	-35.6	0	0	0	113	V68 M96 K144 M165	V68-P169 HydrophobicContact CG1-CB 3.84Å; V68-P169 HydrophobicContact CG1-CG 3.97Å; M96-P169 HydrophobicContact CG-CB 4.21Å; M96-P169 HydrophobicContact SD-CB 3.45Å; M96-P169 WeakPolarHBondContact SD-CB 3.35Å; K144-P169 HydrophobicContact CD-CG 3.48Å; K144-P169 VanDerWaalsContact CD-CG 3.48Å; K144-P169 HydrophobicContact CG-CG 3.85Å; M165-P169 HydrophobicContact CE-CB 4Å
170	G	91.4	Very high	95.4	Very high	2 Å²	2	44.7 Å²	44.7	2%	0.021	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	127.8	-25	175.7	0	0	0	0	0	114.4	N70	N70-G170 VanDerWaalsContact CB-O 3.24Å; N70-G170 WeakPolarHBondContact CB-O 3.5Å; N70-G170 PolarHBondContact ND2-O 3.49Å
171	F	87.1	Confident	95.4	Very high	109 Å²	109	43 Å²	43	48%	0.478	24%	0.236	S	C	.	.			trans	-142.2	138.8	-179.7	-58.2	-79.8	0	0	0	112.4	P69 N70 Q174	P69-F171 HydrophobicContact CG-CE2 3.85Å; P69-F171 HydrophobicContact CG-CZ 4.29Å; P69-F171 WeakPolarHBondContact O-CZ 3.4Å; N70-F171 HydrophobicContact CB-CE1 4.21Å; N70-F171 HydrophobicContact CB-CZ 4.39Å; F171-Q174 PolarHBondContact O-NE2 3.04Å
172	G	83.1	Confident	95.4	Very high	54 Å²	54	47.1 Å²	47.1	56%	0.557	26%	0.262	S	S	*	.	S	Bend	trans	-75.3	167.2	168	0	0	0	0	0	112.7	Q174	G172-Q174 VanDerWaalsContact C-N 3.28Å; G172-Q174 PolarHBondContact O-N 3.22Å
173	G	80.6	Confident	95.4	Very high	69 Å²	69	48.2 Å²	48.2	71%	0.711	27%	0.267	S	S	*	.	S	Bend	trans	77.7	5.9	174.2	0	0	0	0	0	115.7
174	Q	91.4	Very high	95.4	Very high	69 Å²	69	48.2 Å²	48.2	32%	0.322	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-72.1	154.9	174.5	-67.9	-178.5	81	0	0	111.8	V167 E168 F171 G172	V167-Q174 HydrophobicContact CB-CB 3.87Å; V167-Q174 HydrophobicContact CG1-CB 3.64Å; V167-Q174 HydrophobicContact CG2-CB 4.44Å; E168-Q174 PolarHBondContact O-NE2 3.32Å; F171-Q174 PolarHBondContact O-NE2 3.04Å; G172-Q174 VanDerWaalsContact C-N 3.28Å; G172-Q174 PolarHBondContact O-N 3.22Å
175	K	95.1	Very high	95.4	Very high	187 Å²	187	50.7 Å²	50.7	81%	0.813	28%	0.284	S	S	*	.	P	Polyproline II helix	trans	-74.3	131.8	-179.9	-172.9	-179.6	177.7	-176.4	0	110.6	M177	K175-M177 PolarHBondContact O-N 3.39Å
176	F	98.3	Very high	95.4	Very high	16 Å²	16	54.2 Å²	54.2	7%	0.07	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-51.4	133	173.4	-178.3	-102.1	0	0	0	113.1	T166 E178 M181 G200 V202 T206 K209 C210	T166-F176 HydrophobicContact CG2-CD2 4.38Å; T166-F176 HydrophobicContact CG2-CE2 3.75Å; T166-F176 HydrophobicContact CG2-CZ 4.43Å; F176-E178 HydrophobicContact CD1-CB 4.45Å; F176-E178 HydrophobicContact CD1-CG 3.67Å; F176-E178 HydrophobicContact CE1-CB 4.21Å; F176-E178 HydrophobicContact CE1-CG 3.74Å; F176-M181 HydrophobicContact CE2-CE 4.04Å; F176-M181 HydrophobicContact CZ-CE 3.56Å; F176-M181 HydrophobicContact CZ-CG 4.22Å; F176-M181 HydrophobicContact CZ-SD 3.84Å; F176-G200 WeakPolarHBondContact CD2-O 3.42Å; F176-V202 HydrophobicContact CD2-CG2 4.27Å; F176-V202 HydrophobicContact CE2-CG2 4.2Å; F176-T206 HydrophobicContact CB-CG2 3.77Å; F176-T206 HydrophobicContact CD1-CG2 3.78Å; F176-T206 HydrophobicContact CD2-CG2 4.44Å; F176-T206 HydrophobicContact CE1-CG2 4.47Å; F176-T206 HydrophobicContact CG-CG2 3.75Å; F176-K209 HydrophobicContact CE1-CB 4.36Å; F176-K209 HydrophobicContact CE1-CD 4.13Å; F176-C210 WeakPolarHBondContact CE2-SG 3.47Å; F176-C210 VanDerWaalsContact CZ-SG 3.51Å
177	M	98.4	Very high	95.4	Very high	56 Å²	56	54.2 Å²	54.2	28%	0.276	30%	0.298	S	S	.	.			trans	-95.2	94.6	176.6	-65	179.1	68.9	0	0	110.7	P145 T166 K175 D179 M180	P145-M177 HydrophobicContact CB-CE 3.76Å; P145-M177 HydrophobicContact CB-SD 3.89Å; P145-M177 HydrophobicContact CG-CE 4.31Å; P145-M177 HydrophobicContact CG-SD 3.76Å; T166-M177 VanDerWaalsContact O-CB 3.29Å; T166-M177 WeakPolarHBondContact O-CB 3.23Å; T166-M177 WeakPolarHBondContact O-CG 3.41Å; T166-M177 PolarHBondContact O-N 2.97Å; K175-M177 PolarHBondContact O-N 3.39Å; M177-D179 WeakPolarHBondContact CB-OD1 3.5Å; M177-D179 PolarHBondContact O-N 2.97Å; M177-M180 HydrophobicContact CB-CG 3.79Å; M177-M180 HydrophobicContact CE-CE 4.1Å; M177-M180 WeakPolarHBondContact O-CB 3.44Å; M177-M180 PolarHBondContact O-N 2.8Å; M177-M180 VanDerWaalsContact O-N 3.09Å
178	E	98.4	Very high	95.4	Very high	107 Å²	107	54.4 Å²	54.4	50%	0.5	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-60.4	-28.5	-179.6	-60	-170	-165.3	0	0	113.2	F176 M180 M181 K209	F176-E178 HydrophobicContact CD1-CB 4.45Å; F176-E178 HydrophobicContact CD1-CG 3.67Å; F176-E178 HydrophobicContact CE1-CB 4.21Å; F176-E178 HydrophobicContact CE1-CG 3.74Å; E178-M180 PolarHBondContact O-N 2.8Å; E178-M180 VanDerWaalsContact O-N 3.14Å; E178-M181 WeakPolarHBondContact O-CB 3.46Å; E178-M181 WeakPolarHBondContact O-CG 3.37Å; E178-M181 PolarHBondContact O-N 3.49Å; E178-M181 VanDerWaalsContact O-N 3.11Å; E178-K209 HydrophobicContact CG-CD 3.89Å; E178-K209 WeakPolarHBondContact OE1-CE 3.3Å; E178-K209 IonicContact OE1-NZ 2.67Å; E178-K209 PolarHBondContact OE1-NZ 3.4Å; E178-K209 VanDerWaalsContact OE2-CE 3.25Å; E178-K209 WeakPolarHBondContact OE2-CE 3.44Å; E178-K209 IonicContact OE2-NZ 3.53Å
179	D	98.4	Very high	95.4	Very high	103 Å²	103	54.5 Å²	54.5	55%	0.551	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-69	-3	177.3	61.5	-45.5	0	0	0	113.9	M177 P182	M177-D179 WeakPolarHBondContact CB-OD1 3.5Å; M177-D179 PolarHBondContact O-N 2.97Å; D179-P182 WeakPolarHBondContact O-CD 3.45Å
180	M	98.8	Very high	95.5	Very high	12 Å²	12	59 Å²	59	6%	0.059	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-85.1	-18.9	169.4	-63.2	-58.7	101.9	0	0	113.6	P145 V164 T166 M177 E178 P182 K183	P145-M180 VanDerWaalsContact CA-SD 3.56Å; P145-M180 HydrophobicContact CB-CE 4.3Å; P145-M180 HydrophobicContact CB-SD 3.74Å; P145-M180 HydrophobicContact CG-SD 4.47Å; V164-M180 HydrophobicContact CG1-CB 4.35Å; T166-M180 HydrophobicContact CG2-CB 3.97Å; M177-M180 HydrophobicContact CB-CG 3.79Å; M177-M180 HydrophobicContact CE-CE 4.1Å; M177-M180 WeakPolarHBondContact O-CB 3.44Å; M177-M180 PolarHBondContact O-N 2.8Å; M177-M180 VanDerWaalsContact O-N 3.09Å; E178-M180 PolarHBondContact O-N 2.8Å; E178-M180 VanDerWaalsContact O-N 3.14Å; M180-P182 VanDerWaalsContact C-CD 3.42Å; M180-P182 VanDerWaalsContact C-N 3.34Å; M180-K183 VanDerWaalsContact O-CB 3.3Å; M180-K183 WeakPolarHBondContact O-CB 3.26Å; M180-K183 PolarHBondContact O-N 2.89Å; M180-K183 HydrophobicContact SD-CD 4.12Å
181	M	98.8	Very high	95.7	Very high	18 Å²	18	60.1 Å²	60.1	9%	0.089	33%	0.332	C	S	.	.	H	α-helix	trans	-58.2	-34.5	179.7	-63.5	-58.5	93.7	0	0	114.6	T166 F176 E178 K183 V184 S185 V198 K209 C210 A213	T166-M181 HydrophobicContact CG2-CE 3.62Å; F176-M181 HydrophobicContact CE2-CE 4.04Å; F176-M181 HydrophobicContact CZ-CE 3.56Å; F176-M181 HydrophobicContact CZ-CG 4.22Å; F176-M181 HydrophobicContact CZ-SD 3.84Å; E178-M181 WeakPolarHBondContact O-CB 3.46Å; E178-M181 WeakPolarHBondContact O-CG 3.37Å; E178-M181 PolarHBondContact O-N 3.49Å; E178-M181 VanDerWaalsContact O-N 3.11Å; M181-K183 PolarHBondContact O-N 2.71Å; M181-V184 HydrophobicContact CE-CG2 3.92Å; M181-V184 PolarHBondContact O-N 2.83Å; M181-V184 VanDerWaalsContact O-N 3.12Å; M181-S185 PolarHBondContact O-N 2.76Å; M181-S185 PolarHBondContact O-OG 2.87Å; M181-V198 HydrophobicContact CE-CG1 4.29Å; M181-K209 HydrophobicContact CG-CB 4.29Å; M181-K209 HydrophobicContact SD-CB 4.39Å; M181-C210 VanDerWaalsContact SD-CA 3.54Å; M181-C210 HydrophobicContact SD-CB 4.35Å; M181-A213 HydrophobicContact CB-CB 3.98Å; M181-A213 HydrophobicContact CG-CB 4.39Å; M181-A213 HydrophobicContact SD-CB 3.86Å
182	P	98.8	Very high	96.1	Very high	86 Å²	86	57.5 Å²	57.5	56%	0.558	33%	0.326	S	S	*	.	H	α-helix	trans	-53.4	-34.8	169.8	-29	36.9	0	0	0	114.1	D179 M180 W186	D179-P182 WeakPolarHBondContact O-CD 3.45Å; M180-P182 VanDerWaalsContact C-CD 3.42Å; M180-P182 VanDerWaalsContact C-N 3.34Å; P182-W186 VanDerWaalsContact O-CB 3.27Å; P182-W186 WeakPolarHBondContact O-CB 3.29Å; P182-W186 PolarHBondContact O-N 2.87Å
183	K	98.9	Very high	96.7	Very high	24 Å²	24	58.8 Å²	58.8	10%	0.104	33%	0.326	C	S	.	.	H	α-helix	trans	-67.5	-44.9	176.2	-57.2	-173.9	-174.2	-178.9	0	111.4	I143 K144 P145 T147 V149 V164 M180 M181 W186 L187	I143-K183 HydrophobicContact CD1-CD 4.25Å; K144-K183 PolarHBondContact O-NZ 3.34Å; P145-K183 PolarHBondContact O-NZ 3.3Å; T147-K183 WeakPolarHBondContact O-CE 3.42Å; T147-K183 PolarHBondContact O-NZ 3.43Å; V149-K183 HydrophobicContact CB-CB 3.93Å; V149-K183 HydrophobicContact CB-CD 4.39Å; V149-K183 HydrophobicContact CB-CG 4.05Å; V149-K183 HydrophobicContact CG1-CB 4.5Å; V149-K183 HydrophobicContact CG2-CB 4.06Å; V164-K183 HydrophobicContact CG1-CB 4.14Å; V164-K183 HydrophobicContact CG1-CD 4.25Å; M180-K183 VanDerWaalsContact O-CB 3.3Å; M180-K183 WeakPolarHBondContact O-CB 3.26Å; M180-K183 PolarHBondContact O-N 2.89Å; M180-K183 HydrophobicContact SD-CD 4.12Å; M181-K183 PolarHBondContact O-N 2.71Å; K183-W186 PolarHBondContact O-N 2.75Å; K183-L187 PolarHBondContact O-N 2.78Å
184	V	98.9	Very high	97.5	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-60.6	-48.5	177	177.5	0	0	0	0	110.5	V164 M181 W186 L187 R188 I196 V198 A213 A215	V164-V184 HydrophobicContact CB-CG2 4.03Å; V164-V184 HydrophobicContact CG1-CG2 4.11Å; V164-V184 HydrophobicContact CG2-CG2 4.1Å; M181-V184 HydrophobicContact CE-CG2 3.92Å; M181-V184 PolarHBondContact O-N 2.83Å; M181-V184 VanDerWaalsContact O-N 3.12Å; V184-W186 VanDerWaalsContact C-N 3.31Å; V184-W186 PolarHBondContact O-N 3.41Å; V184-L187 PolarHBondContact O-N 3.03Å; V184-R188 WeakPolarHBondContact O-CB 3.37Å; V184-R188 PolarHBondContact O-N 2.68Å; V184-I196 HydrophobicContact CG1-CG2 4.1Å; V184-V198 HydrophobicContact CG2-CG1 3.75Å; V184-A213 HydrophobicContact CB-CB 3.9Å; V184-A213 HydrophobicContact CG1-CB 3.74Å; V184-A215 HydrophobicContact CG1-CB 4Å; V184-A215 VanDerWaalsContact CG1-N 3.3Å
185	S	98.7	Very high	97.9	Very high	52 Å²	52	54.1 Å²	54.1	36%	0.364	29%	0.287	S	S	.	.	H	α-helix	trans	-59.4	-41.4	176.3	-63	0	0	0	0	112.6	M181 S189 A213	M181-S185 PolarHBondContact O-N 2.76Å; M181-S185 PolarHBondContact O-OG 2.87Å; S185-S189 VanDerWaalsContact O-CB 3.3Å; S185-S189 WeakPolarHBondContact O-CB 3.25Å; S185-S189 PolarHBondContact O-N 3.01Å; S185-A213 WeakPolarHBondContact CA-O 3.41Å; S185-A213 WeakPolarHBondContact OG-CA 3.48Å; S185-A213 WeakPolarHBondContact OG-CB 3.29Å; S185-A213 PolarHBondContact OG-O 3.23Å
186	W	98.8	Very high	98.1	Very high	77 Å²	77	45.2 Å²	45.2	29%	0.292	25%	0.248	S	C	.	.	H	α-helix	trans	-64.1	-48.9	177.4	-170.3	98.4	0	0	0	111.5	V149 E150 A153 P182 K183 V184 R188 S189 Q190 F191	V149-W186 HydrophobicContact CB-CE3 4.41Å; V149-W186 HydrophobicContact CG1-CB 4.2Å; V149-W186 HydrophobicContact CG1-CD2 3.85Å; V149-W186 HydrophobicContact CG1-CE3 3.78Å; V149-W186 HydrophobicContact CG1-CG 4.04Å; V149-W186 HydrophobicContact CG1-CZ3 4.43Å; V149-W186 HydrophobicContact CG2-CE3 3.77Å; V149-W186 HydrophobicContact CG2-CZ3 4.29Å; E150-W186 HydrophobicContact CG-CZ2 4.41Å; A153-W186 HydrophobicContact CB-CH2 3.53Å; A153-W186 HydrophobicContact CB-CZ3 3.74Å; P182-W186 VanDerWaalsContact O-CB 3.27Å; P182-W186 WeakPolarHBondContact O-CB 3.29Å; P182-W186 PolarHBondContact O-N 2.87Å; K183-W186 PolarHBondContact O-N 2.75Å; V184-W186 VanDerWaalsContact C-N 3.31Å; V184-W186 PolarHBondContact O-N 3.41Å; W186-R188 PolarHBondContact O-N 3.37Å; W186-S189 WeakPolarHBondContact O-CB 3.45Å; W186-S189 PolarHBondContact O-N 2.9Å; W186-Q190 HydrophobicContact CD2-CG 3.84Å; W186-Q190 HydrophobicContact CE3-CB 4.48Å; W186-Q190 HydrophobicContact CE3-CG 3.96Å; W186-Q190 HydrophobicContact CH2-CB 4.43Å; W186-Q190 HydrophobicContact CH2-CG 3.8Å; W186-Q190 HydrophobicContact CZ2-CG 3.69Å; W186-Q190 HydrophobicContact CZ3-CB 4.3Å; W186-Q190 HydrophobicContact CZ3-CG 3.94Å; W186-Q190 WeakPolarHBondContact O-CG 3.5Å; W186-Q190 PolarHBondContact O-N 3.35Å; W186-F191 HydrophobicContact CH2-CE2 4.47Å; W186-F191 AromaticContact CZ3-CE2 3.96Å; W186-F191 HydrophobicContact CZ3-CE2 3.96Å
187	L	98.6	Very high	98.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59	-46.6	176.7	-74.9	172.2	0	0	0	111.7	V149 L152 A162 V164 K183 V184 S189 Q190 F191 I196	V149-L187 HydrophobicContact CG2-CD1 3.89Å; V149-L187 HydrophobicContact CG2-CD2 3.7Å; V149-L187 HydrophobicContact CG2-CG 3.44Å; V149-L187 VanDerWaalsContact CG2-CG 3.44Å; L152-L187 HydrophobicContact CD2-CD2 3.78Å; A162-L187 HydrophobicContact CB-CD1 4.16Å; V164-L187 HydrophobicContact CG2-CD1 3.75Å; K183-L187 PolarHBondContact O-N 2.78Å; V184-L187 PolarHBondContact O-N 3.03Å; L187-S189 VanDerWaalsContact C-N 3.26Å; L187-S189 PolarHBondContact O-N 2.96Å; L187-Q190 PolarHBondContact O-N 3.46Å; L187-F191 HydrophobicContact CD2-CD2 4Å; L187-F191 HydrophobicContact CD2-CE2 4.16Å; L187-F191 WeakPolarHBondContact O-CA 3.44Å; L187-F191 WeakPolarHBondContact O-CB 3.43Å; L187-F191 PolarHBondContact O-N 3.12Å; L187-I196 HydrophobicContact CB-CD1 3.62Å; L187-I196 HydrophobicContact CB-CG1 4.32Å
188	R	97.9	Very high	98.1	Very high	11 Å²	11	41.8 Å²	41.8	4%	0.042	23%	0.232	C	C	.	.	H	α-helix	trans	-62.4	-36	179.8	178.7	54.9	65.6	-154.8	-4.4	112.2	Y27 V184 W186 P192 L194 I196 G214 N216	Y27-R188 VanDerWaalsContact CE1-NH1 3.26Å; Y27-R188 VanDerWaalsContact CZ-CZ 3.43Å; Y27-R188 WeakPolarHBondContact OH-CD 3.39Å; Y27-R188 PolarHBondContact OH-NE 2.58Å; V184-R188 WeakPolarHBondContact O-CB 3.37Å; V184-R188 PolarHBondContact O-N 2.68Å; W186-R188 PolarHBondContact O-N 3.37Å; R188-P192 PolarHBondContact NH1-O 3.46Å; R188-P192 WeakPolarHBondContact O-CA 3.49Å; R188-L194 VanDerWaalsContact CZ-O 3.28Å; R188-L194 PolarHBondContact NH1-O 3.16Å; R188-L194 PolarHBondContact NH2-O 3.01Å; R188-I196 HydrophobicContact CB-CD1 3.82Å; R188-G214 PolarHBondContact NE-O 2.83Å; R188-G214 PolarHBondContact NH2-O 2.82Å; R188-N216 PolarHBondContact NH2-OD1 3.11Å
189	S	97.1	Very high	98.1	Very high	83 Å²	83	37.5 Å²	37.5	58%	0.58	21%	0.212	S	C	*	.	H	α-helix	trans	-68.4	-46.7	176.7	178.6	0	0	0	0	112	S185 W186 L187	S185-S189 VanDerWaalsContact O-CB 3.3Å; S185-S189 WeakPolarHBondContact O-CB 3.25Å; S185-S189 PolarHBondContact O-N 3.01Å; W186-S189 WeakPolarHBondContact O-CB 3.45Å; W186-S189 PolarHBondContact O-N 2.9Å; L187-S189 VanDerWaalsContact C-N 3.26Å; L187-S189 PolarHBondContact O-N 2.96Å
190	Q	97.5	Very high	98.1	Very high	104 Å²	104	33 Å²	33	49%	0.486	19%	0.189	S	C	.	.	H	α-helix	trans	-77.9	-32.5	-177.3	-62.5	-52.4	-71.2	0	0	113.4	W186 L187 P192	W186-Q190 HydrophobicContact CD2-CG 3.84Å; W186-Q190 HydrophobicContact CE3-CB 4.48Å; W186-Q190 HydrophobicContact CE3-CG 3.96Å; W186-Q190 HydrophobicContact CH2-CB 4.43Å; W186-Q190 HydrophobicContact CH2-CG 3.8Å; W186-Q190 HydrophobicContact CZ2-CG 3.69Å; W186-Q190 HydrophobicContact CZ3-CB 4.3Å; W186-Q190 HydrophobicContact CZ3-CG 3.94Å; W186-Q190 WeakPolarHBondContact O-CG 3.5Å; W186-Q190 PolarHBondContact O-N 3.35Å; L187-Q190 PolarHBondContact O-N 3.46Å; Q190-P192 WeakPolarHBondContact O-CD 3.41Å
191	F	96.9	Very high	97.9	Very high	26 Å²	26	34.2 Å²	34.2	11%	0.114	21%	0.205	C	C	.	.			trans	-127.6	74.4	-175.6	-51.5	-75.3	0	0	0	110.4	A153 A156 W186 L187 S193 L194	A153-F191 HydrophobicContact CB-CE2 4.18Å; A153-F191 HydrophobicContact CB-CZ 4.13Å; A153-F191 WeakPolarHBondContact O-CZ 3.32Å; A156-F191 HydrophobicContact CB-CD1 3.72Å; A156-F191 HydrophobicContact CB-CD2 3.69Å; A156-F191 HydrophobicContact CB-CE1 3.58Å; A156-F191 HydrophobicContact CB-CE2 3.55Å; A156-F191 HydrophobicContact CB-CG 3.78Å; A156-F191 HydrophobicContact CB-CZ 3.49Å; A156-F191 VanDerWaalsContact CB-CZ 3.49Å; W186-F191 HydrophobicContact CH2-CE2 4.47Å; W186-F191 AromaticContact CZ3-CE2 3.96Å; W186-F191 HydrophobicContact CZ3-CE2 3.96Å; L187-F191 HydrophobicContact CD2-CD2 4Å; L187-F191 HydrophobicContact CD2-CE2 4.16Å; L187-F191 WeakPolarHBondContact O-CA 3.44Å; L187-F191 WeakPolarHBondContact O-CB 3.43Å; L187-F191 PolarHBondContact O-N 3.12Å; F191-S193 PolarHBondContact O-N 3.27Å; F191-L194 HydrophobicContact CB-CB 3.78Å; F191-L194 HydrophobicContact CB-CD2 4.07Å; F191-L194 HydrophobicContact CG-CD2 4.45Å; F191-L194 WeakPolarHBondContact O-CB 3.21Å; F191-L194 PolarHBondContact O-N 3.41Å; F191-L194 VanDerWaalsContact O-N 3.11Å
192	P	95.4	Very high	97.9	Very high	54 Å²	54	33.6 Å²	33.6	35%	0.351	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-25.5	-171.2	-30.9	38.5	0	0	0	115.7	Y27 R188 Q190	Y27-P192 WeakPolarHBondContact CE1-O 3.4Å; R188-P192 PolarHBondContact NH1-O 3.46Å; R188-P192 WeakPolarHBondContact O-CA 3.49Å; Q190-P192 WeakPolarHBondContact O-CD 3.41Å
193	S	95.4	Very high	97.9	Very high	80 Å²	80	29.8 Å²	29.8	56%	0.559	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-5.4	-177.1	56.3	0	0	0	0	114.7	F191	F191-S193 PolarHBondContact O-N 3.27Å
194	L	97.8	Very high	97.8	Very high	12 Å²	12	30.9 Å²	30.9	6%	0.063	19%	0.188	C	C	.	.			trans	-69.4	137.4	-177.3	179.8	60.8	0	0	0	110.6	A156 V159 A162 R188 F191 I196	A156-L194 HydrophobicContact CB-CD2 4.12Å; V159-L194 HydrophobicContact CG2-CD1 4.19Å; A162-L194 HydrophobicContact CB-CD2 3.84Å; A162-L194 HydrophobicContact CB-CG 4.44Å; R188-L194 VanDerWaalsContact CZ-O 3.28Å; R188-L194 PolarHBondContact NH1-O 3.16Å; R188-L194 PolarHBondContact NH2-O 3.01Å; F191-L194 HydrophobicContact CB-CB 3.78Å; F191-L194 HydrophobicContact CB-CD2 4.07Å; F191-L194 HydrophobicContact CG-CD2 4.45Å; F191-L194 WeakPolarHBondContact O-CB 3.21Å; F191-L194 PolarHBondContact O-N 3.41Å; F191-L194 VanDerWaalsContact O-N 3.11Å; L194-I196 HydrophobicContact CD2-CG1 4.38Å; L194-I196 HydrophobicContact CG-CG1 4.23Å; L194-I196 PolarHBondContact O-N 2.86Å
195	D	98.7	Very high	97.8	Very high	29 Å²	29	38 Å²	38	16%	0.155	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	122.4	165.4	-85.6	-21.9	0	0	0	108.1	Y27 K30 M161 A162 N216 M217	Y27-D195 VanDerWaalsContact CB-OD1 3.31Å; Y27-D195 WeakPolarHBondContact CB-OD1 3.26Å; K30-D195 IonicContact NZ-OD2 3.46Å; K30-D195 PolarHBondContact NZ-OD2 3.2Å; M161-D195 WeakPolarHBondContact CA-O 3.18Å; M161-D195 HydrophobicContact CB-CB 4.34Å; M161-D195 HydrophobicContact CG-CB 4.22Å; A162-D195 PolarHBondContact N-O 3.31Å; D195-N216 WeakPolarHBondContact CA-OD1 3.18Å; D195-N216 PolarHBondContact OD1-ND2 2.77Å; D195-M217 HydrophobicContact CB-CG 4.39Å; D195-M217 HydrophobicContact CB-SD 3.87Å
196	I	98.9	Very high	97.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	119.6	-179.1	-58.2	167.6	0	0	0	108.2	A162 V184 L187 R188 L194 A215 N216 M217	A162-I196 WeakPolarHBondContact O-CA 3.37Å; V184-I196 HydrophobicContact CG1-CG2 4.1Å; L187-I196 HydrophobicContact CB-CD1 3.62Å; L187-I196 HydrophobicContact CB-CG1 4.32Å; R188-I196 HydrophobicContact CB-CD1 3.82Å; L194-I196 HydrophobicContact CD2-CG1 4.38Å; L194-I196 HydrophobicContact CG-CG1 4.23Å; L194-I196 PolarHBondContact O-N 2.86Å; I196-A215 WeakPolarHBondContact O-CA 3.17Å; I196-N216 PolarHBondContact N-OD1 3.01Å; I196-N216 PolarHBondContact O-N 3.01Å; I196-M217 PolarHBondContact O-N 2.91Å
197	E	98.9	Very high	97.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	148.1	177.8	-165.5	176.8	-118.8	0	0	111.6	Y57 H59 M161 A162 L163 V164 M217 V219	Y57-E197 VanDerWaalsContact CE2-OE1 3.25Å; Y57-E197 WeakPolarHBondContact CE2-OE1 3.28Å; Y57-E197 PolarHBondContact OH-OE1 2.76Å; H59-E197 IonicContact CE1-OE2 3.46Å; H59-E197 IonicContact ND1-OE1 2.79Å; H59-E197 IonicContact ND1-OE2 3.53Å; M161-E197 HydrophobicContact CE-CB 4Å; M161-E197 HydrophobicContact CE-CG 4.48Å; M161-E197 WeakPolarHBondContact CE-OE2 3.45Å; M161-E197 HydrophobicContact CG-CB 4.08Å; M161-E197 HydrophobicContact SD-CB 3.65Å; M161-E197 HydrophobicContact SD-CG 4.21Å; A162-E197 PolarHBondContact O-N 3.43Å; L163-E197 HydrophobicContact CB-CB 4.34Å; L163-E197 HydrophobicContact CD1-CB 3.95Å; L163-E197 HydrophobicContact CD1-CG 3.87Å; V164-E197 PolarHBondContact N-O 3.12Å; E197-M217 VanDerWaalsContact CA-O 3.27Å; E197-M217 WeakPolarHBondContact CA-O 3.46Å; E197-M217 HydrophobicContact CB-CB 3.79Å; E197-M217 HydrophobicContact CG-CB 3.83Å; E197-V219 VanDerWaalsContact CD-CG2 3.42Å; E197-V219 HydrophobicContact CG-CG2 3.78Å; E197-V219 VanDerWaalsContact OE1-CG2 3.31Å; E197-V219 WeakPolarHBondContact OE1-CG2 3.33Å
198	V	98.9	Very high	97.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	137.5	167.7	-70.7	0	0	0	0	109.9	V164 T166 M181 V184 V202 C210 A215 M217 I218 V219	V164-V198 WeakPolarHBondContact O-CA 3.18Å; T166-V198 HydrophobicContact CG2-CB 4.24Å; T166-V198 HydrophobicContact CG2-CG1 4.21Å; M181-V198 HydrophobicContact CE-CG1 4.29Å; V184-V198 HydrophobicContact CG2-CG1 3.75Å; V198-V202 HydrophobicContact CB-CG2 4.41Å; V198-V202 HydrophobicContact CG2-CG2 4.02Å; V198-C210 HydrophobicContact CG2-CB 3.89Å; V198-A215 HydrophobicContact CG1-CB 3.87Å; V198-A215 HydrophobicContact CG2-CB 3.97Å; V198-M217 PolarHBondContact N-O 3.41Å; V198-I218 HydrophobicContact CG2-CD1 3.78Å; V198-V219 WeakPolarHBondContact O-CB 3.37Å; V198-V219 PolarHBondContact O-N 3.44Å
199	D	98.6	Very high	97.8	Very high	17 Å²	17	40.1 Å²	40.1	9%	0.091	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	132.6	175.7	177.1	37.1	0	0	0	111.9	H94 L163 M165 T166 V219	H94-D199 IonicContact ND1-OD2 2.91Å; L163-D199 HydrophobicContact CD1-CB 3.75Å; M165-D199 HydrophobicContact CE-CB 4.43Å; M165-D199 WeakPolarHBondContact CE-OD2 3.41Å; M165-D199 HydrophobicContact SD-CB 4.25Å; T166-D199 PolarHBondContact N-O 2.91Å; T166-D199 VanDerWaalsContact OG1-C 3.31Å; T166-D199 PolarHBondContact OG1-O 2.8Å; D199-V219 HydrophobicContact CB-CB 3.77Å; D199-V219 HydrophobicContact CB-CG1 4.13Å; D199-V219 HydrophobicContact CB-CG2 4.1Å; D199-V219 WeakPolarHBondContact OD1-CG1 3.46Å
200	G	97.3	Very high	97.9	Very high	7 Å²	7	36.1 Å²	36.1	7%	0.072	21%	0.207	C	C	.	.	S	Bend	trans	118.4	106.6	176.7	0	0	0	0	0	114	T166 F176 V202	T166-G200 PolarHBondContact OG1-O 3.06Å; F176-G200 WeakPolarHBondContact CD2-O 3.42Å; G200-V202 VanDerWaalsContact C-N 3.25Å; G200-V202 PolarHBondContact O-N 3.37Å
201	G	96.1	Very high	98	Very high	38 Å²	38	31.2 Å²	31.2	39%	0.392	18%	0.184	S	C	.	.	S	Bend	trans	69.9	18.4	175.4	0	0	0	0	0	114.5	T206	G201-T206 PolarHBondContact O-OG1 3.12Å
202	V	98.1	Very high	98	Very high	6 Å²	6	36.1 Å²	36.1	4%	0.036	21%	0.207	C	C	.	.			trans	-84.7	128.2	178.8	-167.1	0	0	0	0	110.6	F176 V198 G200 T206 I207 I218 V219 S220	F176-V202 HydrophobicContact CD2-CG2 4.27Å; F176-V202 HydrophobicContact CE2-CG2 4.2Å; V198-V202 HydrophobicContact CB-CG2 4.41Å; V198-V202 HydrophobicContact CG2-CG2 4.02Å; G200-V202 VanDerWaalsContact C-N 3.25Å; G200-V202 PolarHBondContact O-N 3.37Å; V202-T206 WeakPolarHBondContact CA-OG1 3.5Å; V202-I207 HydrophobicContact CG1-CD1 4.09Å; V202-I218 HydrophobicContact CB-CG2 4.42Å; V202-I218 HydrophobicContact CG1-CG2 3.71Å; V202-V219 WeakPolarHBondContact CB-O 3.4Å; V202-S220 WeakPolarHBondContact O-CB 3.25Å; V202-S220 PolarHBondContact O-OG 3.19Å
203	G	98	Very high	98.2	Very high	6 Å²	6	34.1 Å²	34.1	6%	0.062	20%	0.195	C	C	.	.	S	Bend	trans	-164.5	-169.3	178.7	0	0	0	0	0	111.1	D205 T206 I207	G203-D205 PolarHBondContact O-N 2.83Å; G203-D205 VanDerWaalsContact O-N 3.1Å; G203-T206 PolarHBondContact N-OG1 2.83Å; G203-T206 PolarHBondContact O-N 3.43Å; G203-T206 PolarHBondContact O-OG1 3.02Å; G203-I207 WeakPolarHBondContact O-CB 3.42Å; G203-I207 PolarHBondContact O-N 3.36Å
204	P	98.4	Very high	98.3	Very high	46 Å²	46	30.3 Å²	30.3	30%	0.299	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-35.1	-177	-29.8	36.5	0	0	0	114.8	V233 L236	P204-V233 HydrophobicContact CG-CG1 4.27Å; P204-L236 HydrophobicContact CB-CD1 4.33Å; P204-L236 HydrophobicContact CB-CD2 4Å; P204-L236 HydrophobicContact CG-CD2 4.31Å
205	D	97.8	Very high	98.4	Very high	150 Å²	150	29.8 Å²	29.8	80%	0.802	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-18.5	-177.9	-60.4	-30.9	0	0	0	114.1	G203	G203-D205 PolarHBondContact O-N 2.83Å; G203-D205 VanDerWaalsContact O-N 3.1Å
206	T	98.7	Very high	98.4	Very high	19 Å²	19	28.4 Å²	28.4	12%	0.117	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.6	-14.7	-172.6	51.8	0	0	0	0	113.2	F176 G201 V202 G203 H208 K209 C210	F176-T206 HydrophobicContact CB-CG2 3.77Å; F176-T206 HydrophobicContact CD1-CG2 3.78Å; F176-T206 HydrophobicContact CD2-CG2 4.44Å; F176-T206 HydrophobicContact CE1-CG2 4.47Å; F176-T206 HydrophobicContact CG-CG2 3.75Å; G201-T206 PolarHBondContact O-OG1 3.12Å; V202-T206 WeakPolarHBondContact CA-OG1 3.5Å; G203-T206 PolarHBondContact N-OG1 2.83Å; G203-T206 PolarHBondContact O-N 3.43Å; G203-T206 PolarHBondContact O-OG1 3.02Å; T206-H208 VanDerWaalsContact C-N 3.29Å; T206-H208 PolarHBondContact O-N 3.29Å; T206-K209 WeakPolarHBondContact O-CB 3.45Å; T206-K209 PolarHBondContact O-N 3.46Å; T206-K209 VanDerWaalsContact O-N 3.16Å; T206-C210 PolarHBondContact O-N 3.19Å; T206-C210 PolarHBondContact O-SG 2.94Å
207	I	98.7	Very high	98.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-59.3	-38.2	-176.2	-173	57.5	0	0	0	113	V202 G203 K209 C210 A211 I218 L236 L237 A240 V241	V202-I207 HydrophobicContact CG1-CD1 4.09Å; G203-I207 WeakPolarHBondContact O-CB 3.42Å; G203-I207 PolarHBondContact O-N 3.36Å; I207-K209 VanDerWaalsContact C-N 3.3Å; I207-K209 PolarHBondContact O-N 3.17Å; I207-C210 WeakPolarHBondContact O-CB 3.47Å; I207-C210 PolarHBondContact O-N 3.38Å; I207-A211 VanDerWaalsContact O-CB 3.27Å; I207-A211 WeakPolarHBondContact O-CB 3.25Å; I207-A211 PolarHBondContact O-N 3.02Å; I207-I218 HydrophobicContact CD1-CB 4.4Å; I207-I218 HydrophobicContact CD1-CD1 3.53Å; I207-I218 HydrophobicContact CD1-CG1 3.73Å; I207-I218 HydrophobicContact CD1-CG2 3.8Å; I207-L236 HydrophobicContact CG2-CD2 4.2Å; I207-L237 HydrophobicContact CB-CD2 3.64Å; I207-L237 HydrophobicContact CD1-CB 4.5Å; I207-L237 HydrophobicContact CD1-CD2 4.16Å; I207-L237 HydrophobicContact CG1-CB 4.36Å; I207-L237 HydrophobicContact CG1-CD2 3.78Å; I207-L237 HydrophobicContact CG2-CD2 4Å; I207-A240 HydrophobicContact CG1-CB 3.88Å; I207-A240 HydrophobicContact CG2-CB 3.91Å; I207-V241 HydrophobicContact CD1-CG2 3.81Å; I207-V241 HydrophobicContact CG1-CG2 4.3Å
208	H	98.6	Very high	98.4	Very high	92 Å²	92	28.6 Å²	28.6	43%	0.426	16%	0.159	S	C	.	.	H	α-helix	trans	-60.9	-40	180	-68.6	-71	0	0	0	111.8	T206 C210 A211 E212	T206-H208 VanDerWaalsContact C-N 3.29Å; T206-H208 PolarHBondContact O-N 3.29Å; H208-C210 PolarHBondContact O-N 3.36Å; H208-A211 PolarHBondContact O-N 2.92Å; H208-E212 WeakPolarHBondContact O-CB 3.34Å; H208-E212 WeakPolarHBondContact O-CG 2.99Å; H208-E212 PolarHBondContact O-N 2.94Å
209	K	98.7	Very high	98.4	Very high	73 Å²	73	28.6 Å²	28.6	32%	0.317	16%	0.159	S	C	.	.	H	α-helix	trans	-62.4	-44.3	176.8	-63.9	173	-179.9	138.1	0	111.3	F176 E178 M181 T206 I207 A213	F176-K209 HydrophobicContact CE1-CB 4.36Å; F176-K209 HydrophobicContact CE1-CD 4.13Å; E178-K209 HydrophobicContact CG-CD 3.89Å; E178-K209 WeakPolarHBondContact OE1-CE 3.3Å; E178-K209 IonicContact OE1-NZ 2.67Å; E178-K209 PolarHBondContact OE1-NZ 3.4Å; E178-K209 VanDerWaalsContact OE2-CE 3.25Å; E178-K209 WeakPolarHBondContact OE2-CE 3.44Å; E178-K209 IonicContact OE2-NZ 3.53Å; M181-K209 HydrophobicContact CG-CB 4.29Å; M181-K209 HydrophobicContact SD-CB 4.39Å; T206-K209 WeakPolarHBondContact O-CB 3.45Å; T206-K209 PolarHBondContact O-N 3.46Å; T206-K209 VanDerWaalsContact O-N 3.16Å; I207-K209 VanDerWaalsContact C-N 3.3Å; I207-K209 PolarHBondContact O-N 3.17Å; K209-A213 VanDerWaalsContact O-CB 3.26Å; K209-A213 WeakPolarHBondContact O-CB 3.33Å; K209-A213 PolarHBondContact O-N 2.85Å
210	C	98.8	Very high	98.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.5	-49.8	178.3	-56.2	0	0	0	0	111.8	F176 M181 V198 T206 I207 H208 A213 G214 A215 I218	F176-C210 WeakPolarHBondContact CE2-SG 3.47Å; F176-C210 VanDerWaalsContact CZ-SG 3.51Å; M181-C210 VanDerWaalsContact SD-CA 3.54Å; M181-C210 HydrophobicContact SD-CB 4.35Å; V198-C210 HydrophobicContact CG2-CB 3.89Å; T206-C210 PolarHBondContact O-N 3.19Å; T206-C210 PolarHBondContact O-SG 2.94Å; I207-C210 WeakPolarHBondContact O-CB 3.47Å; I207-C210 PolarHBondContact O-N 3.38Å; H208-C210 PolarHBondContact O-N 3.36Å; C210-A213 PolarHBondContact O-N 3.29Å; C210-G214 PolarHBondContact O-N 2.8Å; C210-G214 VanDerWaalsContact O-N 3.12Å; C210-A215 HydrophobicContact CB-CB 4.28Å; C210-A215 WeakPolarHBondContact O-CB 3.35Å; C210-A215 PolarHBondContact O-N 3.1Å; C210-I218 HydrophobicContact CB-CD1 4.41Å
211	A	98.6	Very high	98.2	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.008	16%	0.158	C	C	.	.	H	α-helix	trans	-60.9	-49.5	179.8	0	0	0	0	0	110.7	I207 H208 A213 G214 V241 A244 R248	I207-A211 VanDerWaalsContact O-CB 3.27Å; I207-A211 WeakPolarHBondContact O-CB 3.25Å; I207-A211 PolarHBondContact O-N 3.02Å; H208-A211 PolarHBondContact O-N 2.92Å; A211-A213 VanDerWaalsContact C-N 3.34Å; A211-A213 PolarHBondContact O-N 3.47Å; A211-G214 PolarHBondContact O-N 2.7Å; A211-V241 HydrophobicContact CB-CG2 4.1Å; A211-A244 HydrophobicContact CB-CB 3.75Å; A211-R248 PolarHBondContact O-NH1 3.41Å; A211-R248 PolarHBondContact O-NH2 3.42Å
212	E	98.3	Very high	98.1	Very high	129 Å²	129	29.7 Å²	29.7	60%	0.603	16%	0.163	S	C	*	.	H	α-helix	trans	-63.1	-37.5	178.7	-72.8	171.3	-175	0	0	112.5	H208 G214 R248	H208-E212 WeakPolarHBondContact O-CB 3.34Å; H208-E212 WeakPolarHBondContact O-CG 2.99Å; H208-E212 PolarHBondContact O-N 2.94Å; E212-G214 PolarHBondContact O-N 2.74Å; E212-R248 PolarHBondContact O-NH1 3.3Å
213	A	98.6	Very high	97.9	Very high	12 Å²	12	31 Å²	31	10%	0.099	17%	0.174	C	C	.	.	H	α-helix	trans	-64.8	-36.9	175.8	0	0	0	0	0	112.7	M181 V184 S185 K209 C210 A211	M181-A213 HydrophobicContact CB-CB 3.98Å; M181-A213 HydrophobicContact CG-CB 4.39Å; M181-A213 HydrophobicContact SD-CB 3.86Å; V184-A213 HydrophobicContact CB-CB 3.9Å; V184-A213 HydrophobicContact CG1-CB 3.74Å; S185-A213 WeakPolarHBondContact CA-O 3.41Å; S185-A213 WeakPolarHBondContact OG-CA 3.48Å; S185-A213 WeakPolarHBondContact OG-CB 3.29Å; S185-A213 PolarHBondContact OG-O 3.23Å; K209-A213 VanDerWaalsContact O-CB 3.26Å; K209-A213 WeakPolarHBondContact O-CB 3.33Å; K209-A213 PolarHBondContact O-N 2.85Å; C210-A213 PolarHBondContact O-N 3.29Å; A211-A213 VanDerWaalsContact C-N 3.34Å; A211-A213 PolarHBondContact O-N 3.47Å
214	G	98.4	Very high	97.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	138.6	-1.2	178.2	0	0	0	0	0	116.4	R188 C210 A211 E212 R248	R188-G214 PolarHBondContact NE-O 2.83Å; R188-G214 PolarHBondContact NH2-O 2.82Å; C210-G214 PolarHBondContact O-N 2.8Å; C210-G214 VanDerWaalsContact O-N 3.12Å; A211-G214 PolarHBondContact O-N 2.7Å; E212-G214 PolarHBondContact O-N 2.74Å; G214-R248 VanDerWaalsContact CA-NH1 3.34Å
215	A	98.8	Very high	97.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.161	C	C	.	.			trans	-65.5	144.1	176.6	0	0	0	0	0	110.2	V184 I196 V198 C210 I218	V184-A215 HydrophobicContact CG1-CB 4Å; V184-A215 VanDerWaalsContact CG1-N 3.3Å; I196-A215 WeakPolarHBondContact O-CA 3.17Å; V198-A215 HydrophobicContact CG1-CB 3.87Å; V198-A215 HydrophobicContact CG2-CB 3.97Å; C210-A215 HydrophobicContact CB-CB 4.28Å; C210-A215 WeakPolarHBondContact O-CB 3.35Å; C210-A215 PolarHBondContact O-N 3.1Å; A215-I218 HydrophobicContact CB-CD1 4.2Å
216	N	98.8	Very high	97.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	16%	0.155	C	C	.	.			trans	-132.8	-12.1	176.6	72.3	-79.8	0	0	0	113.6	Y27 S28 A29 K30 R188 D195 I196 V241 I245	Y27-N216 HydrophobicContact CD2-CB 3.59Å; Y27-N216 HydrophobicContact CE2-CB 4.07Å; S28-N216 PolarHBondContact O-ND2 3.35Å; A29-N216 CarbonylContact C-O 3.17Å; A29-N216 WeakPolarHBondContact CA-O 3.21Å; K30-N216 PolarHBondContact N-O 2.82Å; R188-N216 PolarHBondContact NH2-OD1 3.11Å; D195-N216 WeakPolarHBondContact CA-OD1 3.18Å; D195-N216 PolarHBondContact OD1-ND2 2.77Å; I196-N216 PolarHBondContact N-OD1 3.01Å; I196-N216 PolarHBondContact O-N 3.01Å; N216-V241 HydrophobicContact CB-CG1 4.35Å; N216-I245 HydrophobicContact CB-CD1 4.04Å
217	M	98.9	Very high	97.4	Very high	5 Å²	5	25.9 Å²	25.9	3%	0.025	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	132.1	166.9	-62.8	-165.7	52.7	0	0	108.5	K30 Y57 M161 D195 I196 E197 V198	K30-M217 HydrophobicContact CB-CG 4.22Å; K30-M217 HydrophobicContact CD-CE 4.14Å; K30-M217 HydrophobicContact CD-CG 4.14Å; K30-M217 HydrophobicContact CD-SD 4.03Å; K30-M217 WeakPolarHBondContact O-CA 3.28Å; Y57-M217 HydrophobicContact CD1-CE 4.17Å; Y57-M217 HydrophobicContact CE1-CE 3.66Å; Y57-M217 HydrophobicContact CE2-CE 4.07Å; M161-M217 HydrophobicContact CG-SD 3.98Å; M161-M217 HydrophobicContact SD-CE 3.65Å; M161-M217 HydrophobicContact SD-SD 3.64Å; M161-M217 VanDerWaalsContact SD-SD 3.64Å; D195-M217 HydrophobicContact CB-CG 4.39Å; D195-M217 HydrophobicContact CB-SD 3.87Å; I196-M217 PolarHBondContact O-N 2.91Å; E197-M217 VanDerWaalsContact CA-O 3.27Å; E197-M217 WeakPolarHBondContact CA-O 3.46Å; E197-M217 HydrophobicContact CB-CB 3.79Å; E197-M217 HydrophobicContact CG-CB 3.83Å; V198-M217 PolarHBondContact N-O 3.41Å
218	I	98.9	Very high	97.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	116.9	-169.9	-53.9	-63.3	0	0	0	109.4	K30 I31 G32 Y57 V198 V202 I207 C210 A215 V241	K30-I218 PolarHBondContact O-N 3.05Å; I31-I218 HydrophobicContact CD1-CB 3.68Å; I31-I218 HydrophobicContact CD1-CG1 3.79Å; I31-I218 HydrophobicContact CD1-CG2 4.33Å; G32-I218 PolarHBondContact N-O 3.1Å; Y57-I218 PolarHBondContact OH-N 3.1Å; V198-I218 HydrophobicContact CG2-CD1 3.78Å; V202-I218 HydrophobicContact CB-CG2 4.42Å; V202-I218 HydrophobicContact CG1-CG2 3.71Å; I207-I218 HydrophobicContact CD1-CB 4.4Å; I207-I218 HydrophobicContact CD1-CD1 3.53Å; I207-I218 HydrophobicContact CD1-CG1 3.73Å; I207-I218 HydrophobicContact CD1-CG2 3.8Å; C210-I218 HydrophobicContact CB-CD1 4.41Å; A215-I218 HydrophobicContact CB-CD1 4.2Å; I218-V241 HydrophobicContact CD1-CG2 3.8Å; I218-V241 HydrophobicContact CG1-CG2 3.63Å
219	V	98.7	Very high	97.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	128.1	169.5	-176.7	0	0	0	0	109.6	G32 H59 E197 V198 D199 V202	G32-V219 VanDerWaalsContact O-CA 3.27Å; G32-V219 WeakPolarHBondContact O-CA 3.48Å; H59-V219 HydrophobicContact CB-CG1 3.98Å; H59-V219 HydrophobicContact CB-CG2 4.14Å; H59-V219 WeakPolarHBondContact ND1-CG2 3.44Å; E197-V219 VanDerWaalsContact CD-CG2 3.42Å; E197-V219 HydrophobicContact CG-CG2 3.78Å; E197-V219 VanDerWaalsContact OE1-CG2 3.31Å; E197-V219 WeakPolarHBondContact OE1-CG2 3.33Å; V198-V219 WeakPolarHBondContact O-CB 3.37Å; V198-V219 PolarHBondContact O-N 3.44Å; D199-V219 HydrophobicContact CB-CB 3.77Å; D199-V219 HydrophobicContact CB-CG1 4.13Å; D199-V219 HydrophobicContact CB-CG2 4.1Å; D199-V219 WeakPolarHBondContact OD1-CG1 3.46Å; V202-V219 WeakPolarHBondContact CB-O 3.4Å
220	S	97.8	Very high	97.3	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.007	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	116.5	177.2	-170.5	0	0	0	0	110.8	G32 P33 S34 V202	G32-S220 PolarHBondContact O-N 3.14Å; P33-S220 VanDerWaalsContact CA-O 3.3Å; P33-S220 WeakPolarHBondContact CA-O 3.49Å; S34-S220 PolarHBondContact N-O 3.41Å; S34-S220 VanDerWaalsContact N-O 3.16Å; V202-S220 WeakPolarHBondContact O-CB 3.25Å; V202-S220 PolarHBondContact O-OG 3.19Å
221	G	94.7	Very high	97.3	Very high	12 Å²	12	36.7 Å²	36.7	12%	0.124	22%	0.216	C	C	.	.	S	Bend	trans	-88.7	-99	178.2	0	0	0	0	0	111.9	A223 V224 I225	G221-A223 VanDerWaalsContact C-N 3.27Å; G221-A223 PolarHBondContact O-N 3.13Å; G221-A223 VanDerWaalsContact O-N 3.11Å; G221-V224 PolarHBondContact O-N 3.38Å; G221-I225 WeakPolarHBondContact O-CG1 3.48Å; G221-I225 PolarHBondContact O-N 2.81Å
222	S	93.1	Very high	97.3	Very high	72 Å²	72	39.7 Å²	39.7	50%	0.503	24%	0.237	S	C	.	.	H	α-helix	trans	-53.4	-35.1	-171	59.5	0	0	0	0	115.2	S37 V224 G226	S37-S222 PolarHBondContact OG-N 3.33Å; S222-V224 VanDerWaalsContact C-N 3.34Å; S222-V224 PolarHBondContact O-N 3Å; S222-G226 WeakPolarHBondContact O-CA 3.47Å; S222-G226 PolarHBondContact O-N 2.87Å
223	A	95.7	Very high	97.3	Very high	33 Å²	33	34.5 Å²	34.5	27%	0.273	21%	0.213	S	C	.	.	H	α-helix	trans	-67.2	-32.6	179.5	0	0	0	0	0	113.3	G221	G221-A223 VanDerWaalsContact C-N 3.27Å; G221-A223 PolarHBondContact O-N 3.13Å; G221-A223 VanDerWaalsContact O-N 3.11Å
224	V	97	Very high	97.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-89.1	-52.4	176.1	172.8	0	0	0	0	110.4	P33 M50 G221 S222 G226 S227 P230 V233 I234 L237	P33-V224 HydrophobicContact CB-CG1 4.25Å; P33-V224 HydrophobicContact CG-CG1 4.1Å; M50-V224 HydrophobicContact SD-CG1 3.75Å; G221-V224 PolarHBondContact O-N 3.38Å; S222-V224 VanDerWaalsContact C-N 3.34Å; S222-V224 PolarHBondContact O-N 3Å; V224-G226 PolarHBondContact O-N 2.67Å; V224-S227 WeakPolarHBondContact O-CB 3.3Å; V224-S227 PolarHBondContact O-N 3.08Å; V224-P230 HydrophobicContact CG1-CB 4.03Å; V224-V233 HydrophobicContact CG2-CB 4.41Å; V224-V233 HydrophobicContact CG2-CG1 3.75Å; V224-I234 HydrophobicContact CG1-CD1 3.9Å; V224-I234 HydrophobicContact CG1-CG1 3.77Å; V224-I234 HydrophobicContact CG2-CG1 4.2Å; V224-L237 HydrophobicContact CG2-CD1 3.91Å
225	I	94.4	Very high	97.3	Very high	14 Å²	14	35.9 Å²	35.9	7%	0.072	23%	0.225	C	C	.	.	H	α-helix	trans	-65.3	-40.8	-172.5	-62.8	-68.1	0	0	0	111.8	P33 S37 R49 M50 G221 S227	P33-I225 HydrophobicContact CB-CD1 4.31Å; S37-I225 WeakPolarHBondContact O-CG2 3.35Å; R49-I225 PolarHBondContact NH2-O 3.35Å; M50-I225 HydrophobicContact CE-CD1 4.3Å; M50-I225 HydrophobicContact CG-CD1 3.77Å; M50-I225 HydrophobicContact SD-CD1 3.58Å; M50-I225 VanDerWaalsContact SD-CD1 3.58Å; G221-I225 WeakPolarHBondContact O-CG1 3.48Å; G221-I225 PolarHBondContact O-N 2.81Å; I225-S227 VanDerWaalsContact C-N 3.28Å; I225-S227 PolarHBondContact O-N 3.49Å
226	G	93.7	Very high	97.3	Very high	66 Å²	66	39.5 Å²	39.5	68%	0.68	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	5.1	-179.3	0	0	0	0	0	114.7	S222 V224	S222-G226 WeakPolarHBondContact O-CA 3.47Å; S222-G226 PolarHBondContact O-N 2.87Å; V224-G226 PolarHBondContact O-N 2.67Å
227	S	96.4	Very high	97.3	Very high	34 Å²	34	39.5 Å²	39.5	24%	0.238	24%	0.244	C	C	.	.			trans	-84.3	142.8	177.3	-173.5	0	0	0	0	111.7	V224 I225 D229 P230 V233	V224-S227 WeakPolarHBondContact O-CB 3.3Å; V224-S227 PolarHBondContact O-N 3.08Å; I225-S227 VanDerWaalsContact C-N 3.28Å; I225-S227 PolarHBondContact O-N 3.49Å; S227-D229 PolarHBondContact O-N 3.01Å; S227-D229 PolarHBondContact OG-N 3.19Å; S227-D229 VanDerWaalsContact OG-N 3.12Å; S227-D229 PolarHBondContact OG-O 3.33Å; S227-P230 WeakPolarHBondContact O-CD 3.47Å; S227-V233 WeakPolarHBondContact OG-CG2 3.48Å
228	D	96.8	Very high	97.3	Very high	177 Å²	177	42.3 Å²	42.3	95%	0.947	25%	0.254	S	S	*	.	S	Bend	trans	-66.8	-21.4	168.1	-65.4	-32.9	0	0	0	112.2
229	D	98	Very high	97.3	Very high	76 Å²	76	45.8 Å²	45.8	41%	0.406	28%	0.276	S	S	.	.			trans	-134.5	77.6	175.2	-173.5	-0.8	0	0	0	111.9	S227 R231 S232 V233	S227-D229 PolarHBondContact O-N 3.01Å; S227-D229 PolarHBondContact OG-N 3.19Å; S227-D229 VanDerWaalsContact OG-N 3.12Å; S227-D229 PolarHBondContact OG-O 3.33Å; D229-R231 PolarHBondContact O-N 3.32Å; D229-R231 PolarHBondContact OD1-N 2.98Å; D229-S232 VanDerWaalsContact CG-OG 3.25Å; D229-S232 PolarHBondContact O-N 2.94Å; D229-S232 PolarHBondContact OD1-N 2.77Å; D229-S232 VanDerWaalsContact OD1-N 3.14Å; D229-S232 WeakPolarHBondContact OD2-CB 3.19Å; D229-S232 PolarHBondContact OD2-OG 3.12Å; D229-V233 PolarHBondContact O-N 2.54Å
230	P	98.3	Very high	97.3	Very high	7 Å²	7	46.1 Å²	46.1	5%	0.045	28%	0.278	C	S	.	.	H	α-helix	trans	-61	-30.3	179.6	-15.5	24	0	0	0	113.1	M50 C53 V224 S227 S232 V233 I234	M50-P230 HydrophobicContact CE-CB 3.92Å; M50-P230 HydrophobicContact CE-CG 3.97Å; M50-P230 HydrophobicContact SD-CB 4.39Å; C53-P230 HydrophobicContact CB-CB 4.32Å; V224-P230 HydrophobicContact CG1-CB 4.03Å; S227-P230 WeakPolarHBondContact O-CD 3.47Å; P230-S232 VanDerWaalsContact C-N 3.34Å; P230-S232 PolarHBondContact O-N 3.11Å; P230-V233 PolarHBondContact O-N 3.09Å; P230-I234 WeakPolarHBondContact O-CB 3.48Å; P230-I234 VanDerWaalsContact O-CG1 3.23Å; P230-I234 WeakPolarHBondContact O-CG1 3.44Å; P230-I234 PolarHBondContact O-N 3.21Å
231	R	98.8	Very high	97.3	Very high	132 Å²	132	46.1 Å²	46.1	50%	0.498	28%	0.278	S	S	.	.	H	α-helix	trans	-61.5	-46.5	178.7	178.6	-176.5	-58.6	-72.1	3.3	110.1	E52 C53 D229 I234 A235	E52-R231 PolarHBondContact O-NH1 3.38Å; E52-R231 PolarHBondContact O-NH2 2.73Å; C53-R231 HydrophobicContact CB-CB 4.17Å; C53-R231 WeakPolarHBondContact O-CG 3.49Å; C53-R231 PolarHBondContact O-NH1 2.96Å; D229-R231 PolarHBondContact O-N 3.32Å; D229-R231 PolarHBondContact OD1-N 2.98Å; R231-I234 PolarHBondContact O-N 2.98Å; R231-A235 WeakPolarHBondContact O-CB 3.39Å; R231-A235 PolarHBondContact O-N 3.25Å
232	S	98.7	Very high	97.5	Very high	64 Å²	64	47.7 Å²	47.7	45%	0.448	29%	0.29	S	S	.	.	H	α-helix	trans	-64.8	-40	177.6	-71.6	0	0	0	0	112.2	D229 P230 A235 L236	D229-S232 VanDerWaalsContact CG-OG 3.25Å; D229-S232 PolarHBondContact O-N 2.94Å; D229-S232 PolarHBondContact OD1-N 2.77Å; D229-S232 VanDerWaalsContact OD1-N 3.14Å; D229-S232 WeakPolarHBondContact OD2-CB 3.19Å; D229-S232 PolarHBondContact OD2-OG 3.12Å; P230-S232 VanDerWaalsContact C-N 3.34Å; P230-S232 PolarHBondContact O-N 3.11Å; S232-A235 PolarHBondContact O-N 3.12Å; S232-L236 WeakPolarHBondContact O-CB 3.3Å; S232-L236 PolarHBondContact O-N 2.95Å
233	V	98.7	Very high	97.7	Very high	19 Å²	19	48.4 Å²	48.4	12%	0.115	29%	0.285	C	S	.	.	H	α-helix	trans	-63.7	-48.8	175.8	-177.6	0	0	0	0	110.9	P204 V224 S227 D229 P230 A235 L236 L237	P204-V233 HydrophobicContact CG-CG1 4.27Å; V224-V233 HydrophobicContact CG2-CB 4.41Å; V224-V233 HydrophobicContact CG2-CG1 3.75Å; S227-V233 WeakPolarHBondContact OG-CG2 3.48Å; D229-V233 PolarHBondContact O-N 2.54Å; P230-V233 PolarHBondContact O-N 3.09Å; V233-A235 VanDerWaalsContact C-N 3.29Å; V233-A235 PolarHBondContact O-N 3.24Å; V233-L236 WeakPolarHBondContact O-CB 3.48Å; V233-L236 PolarHBondContact O-N 3.43Å; V233-L237 HydrophobicContact CG1-CD1 4.29Å; V233-L237 HydrophobicContact CG1-CG 4.39Å; V233-L237 WeakPolarHBondContact O-CG 3.38Å; V233-L237 PolarHBondContact O-N 3.36Å
234	I	98.8	Very high	97.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-57.5	-43.8	177	-70.7	167.9	0	0	0	110.8	I31 P33 C53 A55 V224 P230 R231 L237 R238	I31-I234 HydrophobicContact CB-CG2 4.1Å; I31-I234 HydrophobicContact CG1-CG2 4.33Å; I31-I234 HydrophobicContact CG2-CG1 4.27Å; I31-I234 HydrophobicContact CG2-CG2 4.14Å; P33-I234 HydrophobicContact CG-CD1 4.19Å; C53-I234 HydrophobicContact CB-CD1 4.04Å; A55-I234 HydrophobicContact CB-CD1 4.44Å; V224-I234 HydrophobicContact CG1-CD1 3.9Å; V224-I234 HydrophobicContact CG1-CG1 3.77Å; V224-I234 HydrophobicContact CG2-CG1 4.2Å; P230-I234 WeakPolarHBondContact O-CB 3.48Å; P230-I234 VanDerWaalsContact O-CG1 3.23Å; P230-I234 WeakPolarHBondContact O-CG1 3.44Å; P230-I234 PolarHBondContact O-N 3.21Å; R231-I234 PolarHBondContact O-N 2.98Å; I234-L237 PolarHBondContact O-N 3.31Å; I234-R238 VanDerWaalsContact CG2-NH2 3.28Å; I234-R238 WeakPolarHBondContact O-CB 3.45Å; I234-R238 PolarHBondContact O-N 3.24Å
235	A	98.8	Very high	97.7	Very high	41 Å²	41	48.1 Å²	48.1	34%	0.339	28%	0.28	S	S	.	.	H	α-helix	trans	-64	-39.7	178.1	0	0	0	0	0	112.8	R231 S232 V233 T239	R231-A235 WeakPolarHBondContact O-CB 3.39Å; R231-A235 PolarHBondContact O-N 3.25Å; S232-A235 PolarHBondContact O-N 3.12Å; V233-A235 VanDerWaalsContact C-N 3.29Å; V233-A235 PolarHBondContact O-N 3.24Å; A235-T239 WeakPolarHBondContact O-CB 3.49Å; A235-T239 PolarHBondContact O-N 2.92Å; A235-T239 PolarHBondContact O-OG1 3.22Å
236	L	98.8	Very high	97.7	Very high	77 Å²	77	53.5 Å²	53.5	40%	0.403	31%	0.305	S	S	.	.	H	α-helix	trans	-61.4	-50.7	174.5	-179.5	158.2	0	0	0	110.6	P204 I207 S232 V233 R238 T239 A240	P204-L236 HydrophobicContact CB-CD1 4.33Å; P204-L236 HydrophobicContact CB-CD2 4Å; P204-L236 HydrophobicContact CG-CD2 4.31Å; I207-L236 HydrophobicContact CG2-CD2 4.2Å; S232-L236 WeakPolarHBondContact O-CB 3.3Å; S232-L236 PolarHBondContact O-N 2.95Å; V233-L236 WeakPolarHBondContact O-CB 3.48Å; V233-L236 PolarHBondContact O-N 3.43Å; L236-R238 VanDerWaalsContact C-N 3.32Å; L236-R238 PolarHBondContact O-N 2.94Å; L236-T239 PolarHBondContact O-N 3.41Å; L236-A240 PolarHBondContact O-N 3.02Å
237	L	98.8	Very high	97.7	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-59.2	-45.8	-179.6	-62.2	177.7	0	0	0	111	I31 I207 V224 V233 I234 T239 A240 V241	I31-L237 HydrophobicContact CD1-CB 3.69Å; I31-L237 HydrophobicContact CG1-CB 4.26Å; I31-L237 HydrophobicContact CG2-CD1 4.17Å; I207-L237 HydrophobicContact CB-CD2 3.64Å; I207-L237 HydrophobicContact CD1-CB 4.5Å; I207-L237 HydrophobicContact CD1-CD2 4.16Å; I207-L237 HydrophobicContact CG1-CB 4.36Å; I207-L237 HydrophobicContact CG1-CD2 3.78Å; I207-L237 HydrophobicContact CG2-CD2 4Å; V224-L237 HydrophobicContact CG2-CD1 3.91Å; V233-L237 HydrophobicContact CG1-CD1 4.29Å; V233-L237 HydrophobicContact CG1-CG 4.39Å; V233-L237 WeakPolarHBondContact O-CG 3.38Å; V233-L237 PolarHBondContact O-N 3.36Å; I234-L237 PolarHBondContact O-N 3.31Å; L237-T239 PolarHBondContact O-N 3.29Å; L237-A240 PolarHBondContact O-N 2.92Å; L237-V241 WeakPolarHBondContact O-CG2 3.34Å; L237-V241 PolarHBondContact O-N 3.13Å
238	R	98.8	Very high	97.3	Very high	64 Å²	64	56.5 Å²	56.5	24%	0.242	29%	0.294	C	S	.	.	H	α-helix	trans	-61	-45.3	178.1	-172.6	-179.5	-63	105.5	6.7	112	A29 I31 G54 D56 I234 L236 V241 A242	A29-R238 HydrophobicContact CB-CG 3.96Å; I31-R238 HydrophobicContact CD1-CB 4.3Å; I31-R238 HydrophobicContact CG1-CB 3.85Å; G54-R238 PolarHBondContact O-NH2 3.32Å; D56-R238 IonicContact OD1-NE 3.52Å; D56-R238 IonicContact OD1-NH2 3.52Å; D56-R238 IonicContact OD2-CZ 3.54Å; D56-R238 IonicContact OD2-NE 3.57Å; D56-R238 PolarHBondContact OD2-NE 3.44Å; D56-R238 IonicContact OD2-NH2 2.75Å; D56-R238 PolarHBondContact OD2-NH2 2.94Å; I234-R238 VanDerWaalsContact CG2-NH2 3.28Å; I234-R238 WeakPolarHBondContact O-CB 3.45Å; I234-R238 PolarHBondContact O-N 3.24Å; L236-R238 VanDerWaalsContact C-N 3.32Å; L236-R238 PolarHBondContact O-N 2.94Å; R238-V241 PolarHBondContact O-N 2.78Å; R238-A242 WeakPolarHBondContact O-CB 3.44Å; R238-A242 PolarHBondContact O-N 3.06Å
239	T	98.7	Very high	96.6	Very high	73 Å²	73	50.5 Å²	50.5	45%	0.448	27%	0.266	S	S	.	.	H	α-helix	trans	-61.3	-47.3	-179.8	-59.5	0	0	0	0	111	A235 L236 L237 V241 A242 E243	A235-T239 WeakPolarHBondContact O-CB 3.49Å; A235-T239 PolarHBondContact O-N 2.92Å; A235-T239 PolarHBondContact O-OG1 3.22Å; L236-T239 PolarHBondContact O-N 3.41Å; L237-T239 PolarHBondContact O-N 3.29Å; T239-V241 VanDerWaalsContact C-N 3.29Å; T239-V241 PolarHBondContact O-N 3.31Å; T239-A242 PolarHBondContact O-N 2.7Å; T239-A242 VanDerWaalsContact O-N 3.17Å; T239-E243 HydrophobicContact CG2-CG 4.32Å; T239-E243 WeakPolarHBondContact O-CG 3.4Å; T239-E243 PolarHBondContact O-N 3.3Å
240	A	98.6	Very high	95.8	Very high	7 Å²	7	53 Å²	53	6%	0.058	28%	0.279	C	S	.	.	H	α-helix	trans	-57.6	-41.7	178.8	0	0	0	0	0	112.3	I207 L236 L237 A244	I207-A240 HydrophobicContact CG1-CB 3.88Å; I207-A240 HydrophobicContact CG2-CB 3.91Å; L236-A240 PolarHBondContact O-N 3.02Å; L237-A240 PolarHBondContact O-N 2.92Å; A240-A244 PolarHBondContact O-N 3.34Å
241	V	98.6	Very high	94.7	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-68.7	-46	176.1	177.9	0	0	0	0	111.6	A29 I207 A211 N216 I218 L237 R238 T239 E243 A244 I245	A29-V241 HydrophobicContact CB-CB 3.76Å; A29-V241 HydrophobicContact CB-CG1 3.54Å; I207-V241 HydrophobicContact CD1-CG2 3.81Å; I207-V241 HydrophobicContact CG1-CG2 4.3Å; A211-V241 HydrophobicContact CB-CG2 4.1Å; N216-V241 HydrophobicContact CB-CG1 4.35Å; I218-V241 HydrophobicContact CD1-CG2 3.8Å; I218-V241 HydrophobicContact CG1-CG2 3.63Å; L237-V241 WeakPolarHBondContact O-CG2 3.34Å; L237-V241 PolarHBondContact O-N 3.13Å; R238-V241 PolarHBondContact O-N 2.78Å; T239-V241 VanDerWaalsContact C-N 3.29Å; T239-V241 PolarHBondContact O-N 3.31Å; V241-E243 VanDerWaalsContact C-N 3.33Å; V241-E243 PolarHBondContact O-N 3.34Å; V241-A244 PolarHBondContact O-N 3.44Å; V241-I245 HydrophobicContact CG1-CD1 3.84Å; V241-I245 HydrophobicContact CG1-CG1 4.33Å; V241-I245 VanDerWaalsContact O-CG1 3.32Å; V241-I245 WeakPolarHBondContact O-CG1 3.34Å; V241-I245 PolarHBondContact O-N 3.22Å
242	A	98.1	Very high	92.9	Very high	45 Å²	45	62.8 Å²	62.8	37%	0.372	33%	0.325	S	S	.	.	H	α-helix	trans	-60.2	-42.3	-179.8	0	0	0	0	0	111.9	A29 R238 T239 I245 Q246	A29-A242 HydrophobicContact CB-CB 4.39Å; R238-A242 WeakPolarHBondContact O-CB 3.44Å; R238-A242 PolarHBondContact O-N 3.06Å; T239-A242 PolarHBondContact O-N 2.7Å; T239-A242 VanDerWaalsContact O-N 3.17Å; A242-I245 PolarHBondContact O-N 3.42Å; A242-Q246 WeakPolarHBondContact O-CB 3.27Å; A242-Q246 PolarHBondContact O-N 3.31Å
243	E	97.6	Very high	92.6	Very high	88 Å²	88	62.8 Å²	62.8	41%	0.411	32%	0.319	S	S	.	.	H	α-helix	trans	-61.9	-42.9	174.8	-72.8	-179.9	177	0	0	112.1	T239 V241 Q246 K247	T239-E243 HydrophobicContact CG2-CG 4.32Å; T239-E243 WeakPolarHBondContact O-CG 3.4Å; T239-E243 PolarHBondContact O-N 3.3Å; V241-E243 VanDerWaalsContact C-N 3.33Å; V241-E243 PolarHBondContact O-N 3.34Å; E243-Q246 PolarHBondContact O-N 3.26Å; E243-K247 VanDerWaalsContact O-CG 3.32Å; E243-K247 WeakPolarHBondContact O-CG 3.38Å; E243-K247 PolarHBondContact O-N 3.49Å
244	A	97.1	Very high	92.3	Very high	9 Å²	9	65.1 Å²	65.1	7%	0.074	33%	0.33	C	S	.	.	H	α-helix	trans	-66.2	-37.5	176.9	0	0	0	0	0	112.5	A211 A240 V241 R248	A211-A244 HydrophobicContact CB-CB 3.75Å; A240-A244 PolarHBondContact O-N 3.34Å; V241-A244 PolarHBondContact O-N 3.44Å; A244-R248 PolarHBondContact O-N 3.3Å; A244-R248 VanDerWaalsContact O-N 3.1Å
245	I	95.9	Very high	91.9	Very high	17 Å²	17	68.7 Å²	68.7	9%	0.087	35%	0.348	C	S	.	.	H	α-helix	trans	-62.8	-44.4	173	-67.8	172.3	0	0	0	110.6	M25 Y27 A29 N216 V241 A242 R248 S249	M25-I245 HydrophobicContact CB-CG2 4.38Å; M25-I245 HydrophobicContact CG-CG2 4.37Å; Y27-I245 HydrophobicContact CD2-CD1 4.01Å; Y27-I245 HydrophobicContact CD2-CG1 4.39Å; Y27-I245 HydrophobicContact CE2-CD1 4.04Å; Y27-I245 HydrophobicContact CE2-CG1 3.9Å; Y27-I245 HydrophobicContact CE2-CG2 4.42Å; A29-I245 HydrophobicContact CB-CD1 4.46Å; N216-I245 HydrophobicContact CB-CD1 4.04Å; V241-I245 HydrophobicContact CG1-CD1 3.84Å; V241-I245 HydrophobicContact CG1-CG1 4.33Å; V241-I245 VanDerWaalsContact O-CG1 3.32Å; V241-I245 WeakPolarHBondContact O-CG1 3.34Å; V241-I245 PolarHBondContact O-N 3.22Å; A242-I245 PolarHBondContact O-N 3.42Å; I245-R248 PolarHBondContact O-N 2.7Å; I245-S249 PolarHBondContact O-N 3.14Å; I245-S249 VanDerWaalsContact O-N 3.12Å; I245-S249 PolarHBondContact O-OG 3.11Å
246	Q	94.2	Very high	91.5	Very high	127 Å²	127	70.3 Å²	70.3	59%	0.593	35%	0.349	S	S	*	.	H	α-helix	trans	-63.5	-46.1	178.7	-172	177.9	8.7	0	0	111.5	A242 E243 R248 S249 L250	A242-Q246 WeakPolarHBondContact O-CB 3.27Å; A242-Q246 PolarHBondContact O-N 3.31Å; E243-Q246 PolarHBondContact O-N 3.26Å; Q246-R248 PolarHBondContact O-N 2.71Å; Q246-S249 WeakPolarHBondContact O-CB 3.49Å; Q246-S249 PolarHBondContact O-N 3.37Å; Q246-L250 HydrophobicContact CG-CD1 4.49Å; Q246-L250 WeakPolarHBondContact O-CG 3.43Å; Q246-L250 PolarHBondContact O-N 2.95Å
247	K	92.3	Very high	91	Very high	120 Å²	120	69.9 Å²	69.9	52%	0.522	35%	0.346	S	S	.	.	H	α-helix	trans	-54.9	-50.3	175.2	-72.7	170.4	-175	172	0	111.5	E243 S249 L250 D251	E243-K247 VanDerWaalsContact O-CG 3.32Å; E243-K247 WeakPolarHBondContact O-CG 3.38Å; E243-K247 PolarHBondContact O-N 3.49Å; K247-S249 PolarHBondContact O-N 3.28Å; K247-S249 VanDerWaalsContact O-N 3.13Å; K247-L250 PolarHBondContact O-N 2.96Å; K247-D251 PolarHBondContact O-N 3.22Å
248	R	89.1	Confident	90.5	Very high	43 Å²	43	74.5 Å²	74.5	16%	0.162	37%	0.369	C	S	.	.	H	α-helix	trans	-60.4	-24.8	176.3	-81.5	-172.2	-76.9	-101.3	-1.4	114.8	M25 A211 E212 G214 A244 I245 Q246	M25-R248 HydrophobicContact CE-CB 4.04Å; A211-R248 PolarHBondContact O-NH1 3.41Å; A211-R248 PolarHBondContact O-NH2 3.42Å; E212-R248 PolarHBondContact O-NH1 3.3Å; G214-R248 VanDerWaalsContact CA-NH1 3.34Å; A244-R248 PolarHBondContact O-N 3.3Å; A244-R248 VanDerWaalsContact O-N 3.1Å; I245-R248 PolarHBondContact O-N 2.7Å; Q246-R248 PolarHBondContact O-N 2.71Å
249	S	81.5	Confident	89.9	Confident	52 Å²	52	75.3 Å²	75.3	36%	0.364	38%	0.378	S	S	.	.	H	α-helix	trans	-79.7	-25.6	177.7	-54.1	0	0	0	0	112.2	M25 I245 Q246 K247	M25-S249 WeakPolarHBondContact CG-OG 3.43Å; I245-S249 PolarHBondContact O-N 3.14Å; I245-S249 VanDerWaalsContact O-N 3.12Å; I245-S249 PolarHBondContact O-OG 3.11Å; Q246-S249 WeakPolarHBondContact O-CB 3.49Å; Q246-S249 PolarHBondContact O-N 3.37Å; K247-S249 PolarHBondContact O-N 3.28Å; K247-S249 VanDerWaalsContact O-N 3.13Å
250	L	80.8	Confident	89.3	Confident	129 Å²	129	75.5 Å²	75.5	68%	0.675	37%	0.372	S	S	*	.	H	α-helix	trans	-85.3	-27.6	178.8	-65.7	170.1	0	0	0	112.6	Q246 K247 R252	Q246-L250 HydrophobicContact CG-CD1 4.49Å; Q246-L250 WeakPolarHBondContact O-CG 3.43Å; Q246-L250 PolarHBondContact O-N 2.95Å; K247-L250 PolarHBondContact O-N 2.96Å; L250-R252 VanDerWaalsContact C-N 3.25Å; L250-R252 PolarHBondContact O-N 3.45Å
251	D	75.1	Confident	88.5	Confident	141 Å²	141	81.2 Å²	81.2	75%	0.754	40%	0.398	S	S	*	.			trans	-81.6	4.3	-179.3	-64.1	-25.8	0	0	0	114.1	K247	K247-D251 PolarHBondContact O-N 3.22Å
252	R	61.4	Low	87.6	Confident	203 Å²	203	88.5 Å²	88.5	77%	0.766	44%	0.435	S	S	*	.			trans	-104	0	179.2	-73.9	-176.9	179.8	-170.4	1.9	112.2	L250	L250-R252 VanDerWaalsContact C-N 3.25Å; L250-R252 PolarHBondContact O-N 3.45Å

Retrieved 252 of 252 residues in 145.2 ms (Link to these results)

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