A0A023IM59_RAT Loading...

RT1-Da

AlphaFold DB , UniProt , Accession A0A023IM59, Species RAT (Rattus norvegicus, Rat), Gene RT1-Da, Length 255 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	36	Very low	40.2	Very low	245 Å²	245	146.3 Å²	146.3	100%	1.207	80%	0.802	S	S	*	*				0	115.9	0	-165.3	174.1	-122.5	0	0	106.7
2	A	38.7	Very low	40.4	Very low	95 Å²	95	149.3 Å²	149.3	79%	0.785	80%	0.801	S	S	*	*			trans	40.6	104.4	172.3	0	0	0	0	0	119	L4	A2-L4 PolarHBondContact O-N 3.03Å
3	T	36.8	Very low	40.7	Very low	149 Å²	149	151.6 Å²	151.6	91%	0.914	80%	0.8	S	S	*	*			trans	-59.6	116.4	155	44.9	0	0	0	0	110.2
4	L	42.4	Very low	40.7	Very low	160 Å²	160	152.6 Å²	152.6	84%	0.838	80%	0.801	S	S	*	*			trans	-103.2	105.2	164.7	-162	69.7	0	0	0	106.7	A2 D6	A2-L4 PolarHBondContact O-N 3.03Å; L4-D6 PolarHBondContact O-N 3.15Å
5	G	40.2	Very low	41.2	Very low	74 Å²	74	148.3 Å²	148.3	76%	0.763	80%	0.797	S	S	*	*			trans	-74	116.4	179.1	0	0	0	0	0	110.3	L7	G5-L7 PolarHBondContact O-N 3.2Å
6	D	42.3	Very low	41.8	Very low	146 Å²	146	145.7 Å²	145.7	78%	0.781	79%	0.787	S	S	*	*			trans	-71.4	117.1	171.4	-77.7	-33.9	0	0	0	110	L4 V8	L4-D6 PolarHBondContact O-N 3.15Å; D6-V8 PolarHBondContact O-N 3.31Å
7	L	38.3	Very low	42.1	Very low	153 Å²	153	146.6 Å²	146.6	80%	0.801	79%	0.791	S	S	*	*			trans	-67.5	94.7	175.4	-172.6	78.3	0	0	0	109.2	G5 I9	G5-L7 PolarHBondContact O-N 3.2Å; L7-I9 HydrophobicContact CD2-CD1 4.24Å; L7-I9 HydrophobicContact CD2-CG1 4.06Å; L7-I9 HydrophobicContact CG-CG1 4.21Å; L7-I9 PolarHBondContact O-N 3.48Å
8	V	44.9	Very low	42.1	Very low	114 Å²	114	147.3 Å²	147.3	69%	0.691	79%	0.79	S	S	*	*			trans	-73.3	91.5	173.9	-175.2	0	0	0	0	109	D6 R10	D6-V8 PolarHBondContact O-N 3.31Å; V8-R10 VanDerWaalsContact C-N 3.33Å; V8-R10 HydrophobicContact CG1-CG 3.89Å; V8-R10 PolarHBondContact O-N 3.07Å
9	I	43.1	Very low	42.7	Very low	114 Å²	114	144.3 Å²	144.3	59%	0.585	78%	0.782	S	S	*	*			trans	-69	93.5	168.7	-58.3	174.7	0	0	0	107.4	L7 F11	L7-I9 HydrophobicContact CD2-CD1 4.24Å; L7-I9 HydrophobicContact CD2-CG1 4.06Å; L7-I9 HydrophobicContact CG-CG1 4.21Å; L7-I9 PolarHBondContact O-N 3.48Å; I9-F11 HydrophobicContact CB-CD2 4.49Å; I9-F11 HydrophobicContact CB-CE2 4.24Å; I9-F11 HydrophobicContact CG2-CD2 3.64Å; I9-F11 HydrophobicContact CG2-CE2 3.35Å; I9-F11 HydrophobicContact CG2-CG 4.35Å; I9-F11 HydrophobicContact CG2-CZ 3.84Å; I9-F11 PolarHBondContact O-N 3.13Å; I9-F11 VanDerWaalsContact O-N 3.09Å
10	R	37.8	Very low	43.2	Very low	199 Å²	199	142.7 Å²	142.7	75%	0.751	78%	0.779	S	S	*	*			trans	-75	93.2	170.9	-69	-168.7	177.5	-146.6	0.5	108.8	V8 F12	V8-R10 VanDerWaalsContact C-N 3.33Å; V8-R10 HydrophobicContact CG1-CG 3.89Å; V8-R10 PolarHBondContact O-N 3.07Å; R10-F12 PolarHBondContact O-N 3.01Å
11	F	41.9	Very low	44	Very low	160 Å²	160	144.7 Å²	144.7	70%	0.702	78%	0.783	S	S	*	*			trans	-67.2	99.7	165.7	-77.2	-83.2	0	0	0	109.2	I9 F13	I9-F11 HydrophobicContact CB-CD2 4.49Å; I9-F11 HydrophobicContact CB-CE2 4.24Å; I9-F11 HydrophobicContact CG2-CD2 3.64Å; I9-F11 HydrophobicContact CG2-CE2 3.35Å; I9-F11 HydrophobicContact CG2-CG 4.35Å; I9-F11 HydrophobicContact CG2-CZ 3.84Å; I9-F11 PolarHBondContact O-N 3.13Å; I9-F11 VanDerWaalsContact O-N 3.09Å; F11-F13 HydrophobicContact CB-CD2 4.15Å; F11-F13 HydrophobicContact CB-CE2 4.01Å; F11-F13 PolarHBondContact O-N 2.89Å
12	F	42.6	Very low	44.6	Very low	182 Å²	182	142.4 Å²	142.4	80%	0.798	77%	0.767	S	S	*	*			trans	-75	95.2	165.4	-102.1	-93.3	0	0	0	108.4	R10 M14	R10-F12 PolarHBondContact O-N 3.01Å; F12-M14 PolarHBondContact O-N 3.45Å; F12-M14 VanDerWaalsContact O-N 3.15Å
13	F	44.1	Very low	45.5	Very low	180 Å²	180	142.4 Å²	142.4	79%	0.789	76%	0.761	S	S	*	*			trans	-75.8	93.5	164.2	-81.5	-88.1	0	0	0	108.3	F11 A15	F11-F13 HydrophobicContact CB-CD2 4.15Å; F11-F13 HydrophobicContact CB-CE2 4.01Å; F11-F13 PolarHBondContact O-N 2.89Å; F13-A15 VanDerWaalsContact C-N 3.26Å; F13-A15 PolarHBondContact O-N 3.38Å
14	M	41.1	Very low	46.3	Very low	165 Å²	165	146 Å²	146	81%	0.813	76%	0.758	S	S	*	*			trans	-70.4	90.9	160.3	-87.2	-126.3	-81.5	0	0	107.8	F12 V16	F12-M14 PolarHBondContact O-N 3.45Å; F12-M14 VanDerWaalsContact O-N 3.15Å; M14-V16 VanDerWaalsContact C-N 3.31Å; M14-V16 PolarHBondContact O-N 3.37Å
15	A	48.4	Very low	47.1	Very low	89 Å²	89	142 Å²	142	74%	0.736	75%	0.747	S	S	*	*			trans	-68.2	94.9	163.8	0	0	0	0	0	107.6	F13 L17	F13-A15 VanDerWaalsContact C-N 3.26Å; F13-A15 PolarHBondContact O-N 3.38Å; A15-L17 VanDerWaalsContact C-N 3.33Å; A15-L17 PolarHBondContact O-N 2.89Å
16	V	49.7	Very low	48	Very low	106 Å²	106	144.3 Å²	144.3	64%	0.642	74%	0.741	S	S	*	*			trans	-69.2	98.5	166.5	179.7	0	0	0	0	106.2	M14 M18	M14-V16 VanDerWaalsContact C-N 3.31Å; M14-V16 PolarHBondContact O-N 3.37Å; V16-M18 HydrophobicContact CG1-CE 4.1Å; V16-M18 HydrophobicContact CG1-CG 4.24Å; V16-M18 PolarHBondContact O-N 3.26Å
17	L	46.7	Very low	48.9	Very low	162 Å²	162	147.2 Å²	147.2	85%	0.848	74%	0.741	S	S	*	*			trans	-63.2	90.5	162.7	-91.5	149.7	0	0	0	106.9	A15 S19	A15-L17 VanDerWaalsContact C-N 3.33Å; A15-L17 PolarHBondContact O-N 2.89Å; L17-S19 PolarHBondContact O-N 3.09Å
18	M	42.3	Very low	50.2	Low	159 Å²	159	146.2 Å²	146.2	78%	0.783	73%	0.732	S	S	*	*			trans	-64.2	90	159.5	-66.2	-101.6	88.7	0	0	105.7	V16 P20	V16-M18 HydrophobicContact CG1-CE 4.1Å; V16-M18 HydrophobicContact CG1-CG 4.24Å; V16-M18 PolarHBondContact O-N 3.26Å; M18-P20 WeakPolarHBondContact O-CD 3.49Å
19	S	54.1	Low	52.2	Low	90 Å²	90	147.8 Å²	147.8	63%	0.629	73%	0.732	S	S	*	*			trans	-47.2	121.6	156.6	166.1	0	0	0	0	106.1	L17 Q21	L17-S19 PolarHBondContact O-N 3.09Å; S19-Q21 VanDerWaalsContact C-N 3.27Å; S19-Q21 PolarHBondContact O-N 3.04Å
20	P	53.2	Low	54.6	Low	112 Å²	112	147.3 Å²	147.3	73%	0.727	73%	0.727	S	S	*	*			trans	-60.2	105.4	166.7	23.7	-27.4	0	0	0	104.8	M18 K22	M18-P20 WeakPolarHBondContact O-CD 3.49Å; P20-K22 PolarHBondContact O-N 2.9Å
21	Q	58.6	Low	57.3	Low	184 Å²	184	141.5 Å²	141.5	86%	0.86	71%	0.714	S	S	*	*			trans	-54.6	101	159.7	-73.9	-179.1	-54.1	0	0	103.5	S19 S23	S19-Q21 VanDerWaalsContact C-N 3.27Å; S19-Q21 PolarHBondContact O-N 3.04Å; Q21-S23 PolarHBondContact O-N 2.95Å
22	K	50.3	Low	60	Low	198 Å²	198	139.1 Å²	139.1	86%	0.861	71%	0.707	S	S	*	*			trans	-51.7	104.7	162.4	-79.9	-178.2	174.6	-177.7	0	103.2	P20 W24	P20-K22 PolarHBondContact O-N 2.9Å; K22-W24 PolarHBondContact O-N 3.33Å
23	S	57.3	Low	62.6	Low	95 Å²	95	133.6 Å²	133.6	66%	0.664	69%	0.685	S	S	*	*			trans	-56.4	123.3	168.5	62.9	0	0	0	0	103.5	Q21 A25	Q21-S23 PolarHBondContact O-N 2.95Å; S23-A25 PolarHBondContact O-N 3.27Å
24	W	52.6	Low	65.2	Low	224 Å²	224	129.1 Å²	129.1	85%	0.848	67%	0.667	S	S	*	*			trans	-71.1	24.8	176.3	56.6	-87.1	0	0	0	110.3	K22 I26	K22-W24 PolarHBondContact O-N 3.33Å; W24-I26 PolarHBondContact O-N 2.89Å
25	A	59.1	Low	67.9	Low	75 Å²	75	122.2 Å²	122.2	62%	0.62	64%	0.636	S	S	*	*			trans	-56.4	102.6	179	0	0	0	0	0	107.5	S23 R27	S23-A25 PolarHBondContact O-N 3.27Å; A25-R27 PolarHBondContact O-N 3.47Å
26	I	59.2	Low	70.3	Confident	123 Å²	123	121.2 Å²	121.2	63%	0.631	62%	0.617	S	S	*	*			trans	-63.1	118.3	171.2	-58.8	175.5	0	0	0	104	W24 E28	W24-I26 PolarHBondContact O-N 2.89Å; I26-E28 VanDerWaalsContact C-N 3.33Å; I26-E28 HydrophobicContact CG2-CG 3.89Å; I26-E28 PolarHBondContact O-N 2.82Å; I26-E28 VanDerWaalsContact O-N 3.1Å
27	R	60.7	Low	72.5	Confident	208 Å²	208	118 Å²	118	79%	0.785	59%	0.594	S	S	*	*			trans	-77.1	95.5	171.4	-171.1	176.4	-177.9	-178.2	-3.3	105.9	A25 E29	A25-R27 PolarHBondContact O-N 3.47Å; R27-E29 HydrophobicContact CG-CG 4.48Å; R27-E29 IonicContact CZ-OE1 3.52Å; R27-E29 IonicContact NE-OE1 2.85Å
28	E	65.4	Low	74.9	Confident	132 Å²	132	112.2 Å²	112.2	62%	0.617	56%	0.561	S	S	*	*			trans	-80.6	119.9	168.5	-65.9	-175.8	175.6	0	0	107.1	I26 H30	I26-E28 VanDerWaalsContact C-N 3.33Å; I26-E28 HydrophobicContact CG2-CG 3.89Å; I26-E28 PolarHBondContact O-N 2.82Å; I26-E28 VanDerWaalsContact O-N 3.1Å; E28-H30 IonicContact OE2-CE1 3.11Å; E28-H30 IonicContact OE2-NE2 3.38Å
29	E	88.1	Confident	77.4	Confident	146 Å²	146	105.9 Å²	105.9	68%	0.682	53%	0.53	S	S	*	.			trans	-95.6	119.6	171.8	-67.4	-172.4	168.5	0	0	107	R27	R27-E29 HydrophobicContact CG-CG 4.48Å; R27-E29 IonicContact CZ-OE1 3.52Å; R27-E29 IonicContact NE-OE1 2.85Å
30	H	93.6	Very high	79.2	Confident	105 Å²	105	104.4 Å²	104.4	49%	0.486	52%	0.52	S	S	.	.			trans	-104.4	143.2	177	-59.4	-67.2	0	0	0	109.8	E28 F51 D52	E28-H30 IonicContact OE2-CE1 3.11Å; E28-H30 IonicContact OE2-NE2 3.38Å; H30-F51 HydrophobicContact CB-CE2 3.79Å; H30-F51 HydrophobicContact CB-CZ 3.89Å; H30-F51 AromaticContact CG-CZ 3.8Å; H30-F51 AromaticContact ND1-CZ 3.65Å; H30-D52 VanDerWaalsContact CA-OD1 3.27Å; H30-D52 WeakPolarHBondContact CA-OD1 3.4Å; H30-D52 IonicContact CE1-OD2 3.18Å; H30-D52 IonicContact CG-OD2 3.83Å; H30-D52 IonicContact ND1-OD2 3.44Å; H30-D52 PolarHBondContact ND1-OD2 3.15Å
31	T	94.8	Very high	80.7	Confident	77 Å²	77	104 Å²	104	47%	0.472	52%	0.517	S	S	.	.			trans	-122	125.6	-179.8	-53.5	0	0	0	0	109.6	I33 F51 D52	T31-I33 HydrophobicContact CG2-CD1 4.15Å; T31-I33 HydrophobicContact CG2-CG1 3.72Å; T31-F51 WeakPolarHBondContact O-CA 3.47Å; T31-D52 PolarHBondContact N-OD1 3.05Å; T31-D52 PolarHBondContact O-N 2.85Å
32	I	97.2	Very high	81.8	Confident	110 Å²	110	98.7 Å²	98.7	56%	0.564	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.5	125	167.5	-65.8	164.6	0	0	0	107.6	F49 D50 F51	I32-F49 HydrophobicContact CG2-CD1 3.84Å; I32-F49 HydrophobicContact CG2-CE1 4.29Å; I32-D50 CarbonylContact C-O 3.58Å; I32-D50 VanDerWaalsContact CA-O 3.28Å; I32-D50 WeakPolarHBondContact CA-O 3.32Å; I32-F51 HydrophobicContact CD1-CD2 4.29Å; I32-F51 HydrophobicContact CG1-CD2 3.62Å; I32-F51 HydrophobicContact CG1-CE2 4.29Å
33	I	97.9	Very high	83.2	Confident	65 Å²	65	96.1 Å²	96.1	33%	0.333	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	123	178	-51.6	177.5	0	0	0	108.3	T31 A35 F49 D50 P164	T31-I33 HydrophobicContact CG2-CD1 4.15Å; T31-I33 HydrophobicContact CG2-CG1 3.72Å; I33-A35 HydrophobicContact CG2-CB 4.45Å; I33-F49 CarbonylContact O-C 3.58Å; I33-F49 WeakPolarHBondContact O-CA 3.34Å; I33-D50 HydrophobicContact CB-CB 4.23Å; I33-D50 PolarHBondContact N-O 2.9Å; I33-D50 PolarHBondContact O-N 2.93Å; I33-P164 HydrophobicContact CG2-CG 4.22Å
34	Q	98.4	Very high	84.5	Confident	86 Å²	86	95.6 Å²	95.6	40%	0.402	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	118.5	159.4	-179.9	-174.3	-44.5	0	0	107.1	E36 F47 F49 N87	Q34-E36 PolarHBondContact NE2-OE2 3.31Å; Q34-F47 HydrophobicContact CG-CE2 3.96Å; Q34-F47 HydrophobicContact CG-CZ 3.84Å; Q34-F47 VanDerWaalsContact NE2-CE2 3.28Å; Q34-F49 HydrophobicContact CB-CD1 4.29Å; Q34-F49 HydrophobicContact CB-CE1 3.86Å; Q34-F49 HydrophobicContact CB-CE2 4.22Å; Q34-F49 HydrophobicContact CB-CZ 3.82Å; Q34-F49 HydrophobicContact CG-CD2 4.4Å; Q34-F49 HydrophobicContact CG-CE1 4.39Å; Q34-F49 HydrophobicContact CG-CE2 3.87Å; Q34-F49 HydrophobicContact CG-CZ 3.85Å; Q34-N87 PolarHBondContact NE2-ND2 3.37Å
35	A	98.3	Very high	86.5	Confident	21 Å²	21	86 Å²	86	17%	0.174	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	130.5	177.2	0	0	0	0	0	110	I33 M48 P164	I33-A35 HydrophobicContact CG2-CB 4.45Å; A35-M48 HydrophobicContact CB-CG 4.1Å; A35-M48 HydrophobicContact CB-SD 3.82Å; A35-M48 PolarHBondContact N-O 2.91Å; A35-M48 PolarHBondContact O-N 3.42Å; A35-P164 HydrophobicContact CB-CB 3.99Å; A35-P164 HydrophobicContact CB-CG 3.92Å
36	E	98.1	Very high	88.3	Confident	68 Å²	68	84 Å²	84	32%	0.318	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	143.5	177.8	59.5	-164	-165	0	0	109.8	Q34 E46 F47 N87 I88 D91	Q34-E36 PolarHBondContact NE2-OE2 3.31Å; E36-E46 VanDerWaalsContact CA-O 3.24Å; E36-E46 WeakPolarHBondContact CA-O 3.45Å; E36-F47 HydrophobicContact CB-CD2 4.01Å; E36-F47 VanDerWaalsContact OE2-CD2 3.28Å; E36-F47 WeakPolarHBondContact OE2-CD2 3.48Å; E36-F47 WeakPolarHBondContact OE2-CE2 3.34Å; E36-N87 PolarHBondContact OE1-ND2 3.41Å; E36-N87 WeakPolarHBondContact OE2-CB 3.47Å; E36-N87 PolarHBondContact OE2-ND2 3.03Å; E36-I88 HydrophobicContact CB-CD1 4.42Å; E36-D91 WeakPolarHBondContact CG-OD2 3.39Å
37	F	97.3	Very high	90.2	Very high	37 Å²	37	78.2 Å²	78.2	16%	0.162	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	160.2	172.6	71	-96.9	0	0	0	111.2	G45 E46 P140 F162 F170	F37-G45 WeakPolarHBondContact O-CA 3.36Å; F37-E46 HydrophobicContact CD1-CB 4.02Å; F37-E46 HydrophobicContact CE1-CB 3.41Å; F37-E46 VanDerWaalsContact CE1-CB 3.41Å; F37-E46 HydrophobicContact CE1-CG 4.22Å; F37-E46 HydrophobicContact CE2-CB 4.31Å; F37-E46 HydrophobicContact CZ-CB 3.57Å; F37-E46 PolarHBondContact N-O 2.94Å; F37-E46 VanDerWaalsContact N-O 3.09Å; F37-E46 PolarHBondContact O-N 2.89Å; F37-E46 VanDerWaalsContact O-N 3.08Å; F37-P140 HydrophobicContact CD1-CG 4.31Å; F37-P140 HydrophobicContact CD2-CG 3.78Å; F37-P140 HydrophobicContact CE1-CB 4.08Å; F37-P140 HydrophobicContact CE1-CG 4.01Å; F37-P140 HydrophobicContact CE2-CB 4.17Å; F37-P140 HydrophobicContact CE2-CG 3.48Å; F37-P140 VanDerWaalsContact CE2-CG 3.48Å; F37-P140 HydrophobicContact CG-CG 4.2Å; F37-P140 HydrophobicContact CZ-CB 3.78Å; F37-P140 HydrophobicContact CZ-CG 3.6Å; F37-F162 HydrophobicContact CE1-CB 4.08Å; F37-F162 HydrophobicContact CE1-CD2 4.15Å; F37-F162 HydrophobicContact CE1-CG 4.43Å; F37-F162 AromaticContact CZ-CD2 3.83Å; F37-F162 HydrophobicContact CZ-CD2 3.83Å; F37-F162 HydrophobicContact CZ-CE2 4.45Å; F37-F162 HydrophobicContact CZ-CG 4.44Å; F37-F170 AromaticContact CD1-CE1 3.98Å; F37-F170 HydrophobicContact CD1-CE1 3.98Å; F37-F170 HydrophobicContact CD1-CZ 4.4Å; F37-F170 HydrophobicContact CE1-CE1 4.21Å
38	Y	96.9	Very high	92	Very high	42 Å²	42	68.4 Å²	68.4	17%	0.165	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	134	168.6	-162.1	-80.1	0	0	0	109.2	I88 K92 L95	Y38-I88 HydrophobicContact CD2-CG2 3.84Å; Y38-I88 HydrophobicContact CE2-CG2 4.08Å; Y38-K92 HydrophobicContact CD1-CB 4.16Å; Y38-K92 HydrophobicContact CD1-CG 4.14Å; Y38-K92 HydrophobicContact CD2-CB 3.78Å; Y38-K92 HydrophobicContact CD2-CG 4.39Å; Y38-K92 HydrophobicContact CE1-CB 4.13Å; Y38-K92 HydrophobicContact CE1-CD 4.28Å; Y38-K92 HydrophobicContact CE1-CG 3.71Å; Y38-K92 HydrophobicContact CE2-CB 3.74Å; Y38-K92 HydrophobicContact CE2-CD 4.2Å; Y38-K92 HydrophobicContact CE2-CG 3.99Å; Y38-K92 HydrophobicContact CG-CB 4Å; Y38-K92 HydrophobicContact CG-CG 4.46Å; Y38-L95 HydrophobicContact CD1-CD2 3.77Å; Y38-L95 WeakPolarHBondContact O-CD2 3.5Å
39	L	94.8	Very high	93.6	Very high	26 Å²	26	64 Å²	64	14%	0.136	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	137.6	-178.8	-171.4	66	0	0	0	111.3	Q43 N44 P139 A141 W193	L39-Q43 WeakPolarHBondContact O-CA 3.27Å; L39-Q43 PolarHBondContact O-N 2.97Å; L39-N44 PolarHBondContact N-O 3.43Å; L39-P139 HydrophobicContact CD1-CB 4.12Å; L39-A141 HydrophobicContact CD2-CB 4.25Å; L39-W193 HydrophobicContact CD2-CH2 3.81Å; L39-W193 HydrophobicContact CD2-CZ3 4.38Å
40	S	91.6	Very high	94.1	Very high	58 Å²	58	57.1 Å²	57.1	41%	0.406	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124	137.7	176.1	-175.1	0	0	0	0	109
41	P	85.6	Confident	94.3	Very high	103 Å²	103	56 Å²	56	67%	0.669	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	cis	-88.7	-3.3	11.9	36	-37	0	0	0	115.6	Q43	P41-Q43 WeakPolarHBondContact O-CG 3.33Å; P41-Q43 PolarHBondContact O-N 3.45Å
42	D	80.3	Confident	94.4	Very high	74 Å²	74	55.9 Å²	55.9	40%	0.396	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-12.3	-170.9	-64.1	-19.2	0	0	0	114.4	N44 W193	D42-N44 PolarHBondContact O-N 3.26Å; D42-W193 WeakPolarHBondContact OD2-CH2 3.3Å; D42-W193 WeakPolarHBondContact OD2-CZ2 3.41Å
43	Q	79.5	Confident	94.3	Very high	143 Å²	143	51.6 Å²	51.6	67%	0.668	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	32.6	-179.2	-59.6	-177.5	13.6	0	0	112.9	L39 P41	L39-Q43 WeakPolarHBondContact O-CA 3.27Å; L39-Q43 PolarHBondContact O-N 2.97Å; P41-Q43 WeakPolarHBondContact O-CG 3.33Å; P41-Q43 PolarHBondContact O-N 3.45Å
44	N	86.1	Confident	94.3	Very high	85 Å²	85	54.1 Å²	54.1	46%	0.455	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	124.6	176.2	-72.5	-22.2	0	0	0	108.9	L39 D42	L39-N44 PolarHBondContact N-O 3.43Å; D42-N44 PolarHBondContact O-N 3.26Å
45	G	93.6	Very high	94.3	Very high	22 Å²	22	50.6 Å²	50.6	23%	0.227	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	150.8	170.3	0	0	0	0	0	110.1	F37	F37-G45 WeakPolarHBondContact O-CA 3.36Å
46	E	97.8	Very high	94.3	Very high	32 Å²	32	51.4 Å²	51.4	15%	0.15	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	145.9	-179.3	-167	172.1	86	0	0	109.6	E36 F37 I88 V161 F162	E36-E46 VanDerWaalsContact CA-O 3.24Å; E36-E46 WeakPolarHBondContact CA-O 3.45Å; F37-E46 HydrophobicContact CD1-CB 4.02Å; F37-E46 HydrophobicContact CE1-CB 3.41Å; F37-E46 VanDerWaalsContact CE1-CB 3.41Å; F37-E46 HydrophobicContact CE1-CG 4.22Å; F37-E46 HydrophobicContact CE2-CB 4.31Å; F37-E46 HydrophobicContact CZ-CB 3.57Å; F37-E46 PolarHBondContact N-O 2.94Å; F37-E46 VanDerWaalsContact N-O 3.09Å; F37-E46 PolarHBondContact O-N 2.89Å; F37-E46 VanDerWaalsContact O-N 3.08Å; E46-I88 WeakPolarHBondContact O-CD1 3.44Å; E46-V161 VanDerWaalsContact CD-CB 3.49Å; E46-V161 HydrophobicContact CG-CB 4.36Å; E46-V161 HydrophobicContact CG-CG1 4.46Å; E46-V161 WeakPolarHBondContact OE1-CB 3.28Å; E46-V161 WeakPolarHBondContact OE2-CB 3.43Å; E46-F162 WeakPolarHBondContact OE1-CA 3.28Å; E46-F162 WeakPolarHBondContact OE1-CB 3.31Å; E46-F162 PolarHBondContact OE1-N 3.43Å
47	F	98.6	Very high	94.4	Very high	3 Å²	3	48.8 Å²	48.8	1%	0.013	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	128.4	178.7	-179.7	-78.2	0	0	0	108.7	Q34 E36 F49 F57 H58 V59 F79 A84 N87 I88	Q34-F47 HydrophobicContact CG-CE2 3.96Å; Q34-F47 HydrophobicContact CG-CZ 3.84Å; Q34-F47 VanDerWaalsContact NE2-CE2 3.28Å; E36-F47 HydrophobicContact CB-CD2 4.01Å; E36-F47 VanDerWaalsContact OE2-CD2 3.28Å; E36-F47 WeakPolarHBondContact OE2-CD2 3.48Å; E36-F47 WeakPolarHBondContact OE2-CE2 3.34Å; F47-F49 AromaticContact CE1-CD2 3.85Å; F47-F49 HydrophobicContact CE1-CD2 3.85Å; F47-F49 AromaticContact CE1-CE2 3.6Å; F47-F49 HydrophobicContact CE1-CE2 3.6Å; F47-F49 HydrophobicContact CZ-CD2 4.33Å; F47-F49 AromaticContact CZ-CE2 3.66Å; F47-F49 HydrophobicContact CZ-CE2 3.66Å; F47-F57 HydrophobicContact CE1-CE2 4.24Å; F47-H58 VanDerWaalsContact O-CA 3.28Å; F47-H58 WeakPolarHBondContact O-CA 3.32Å; F47-H58 WeakPolarHBondContact O-CB 3.48Å; F47-V59 HydrophobicContact CD1-CG2 4.07Å; F47-V59 PolarHBondContact O-N 3.46Å; F47-F79 AromaticContact CE1-CE1 3.88Å; F47-F79 HydrophobicContact CE1-CE1 3.88Å; F47-F79 HydrophobicContact CE1-CE2 4.37Å; F47-F79 AromaticContact CE1-CZ 3.58Å; F47-F79 HydrophobicContact CE1-CZ 3.58Å; F47-F79 HydrophobicContact CZ-CE1 4.4Å; F47-F79 HydrophobicContact CZ-CE2 4.45Å; F47-F79 AromaticContact CZ-CZ 3.72Å; F47-F79 HydrophobicContact CZ-CZ 3.72Å; F47-A84 HydrophobicContact CB-CB 3.87Å; F47-A84 HydrophobicContact CD1-CB 3.53Å; F47-A84 HydrophobicContact CD2-CB 3.72Å; F47-A84 HydrophobicContact CE1-CB 3.93Å; F47-A84 HydrophobicContact CE2-CB 4.08Å; F47-A84 HydrophobicContact CG-CB 3.42Å; F47-A84 VanDerWaalsContact CG-CB 3.42Å; F47-A84 HydrophobicContact CZ-CB 4.19Å; F47-N87 HydrophobicContact CD2-CB 4.41Å; F47-N87 HydrophobicContact CE2-CB 4.34Å; F47-I88 HydrophobicContact CB-CD1 4.35Å; F47-I88 HydrophobicContact CB-CG1 4.43Å
48	M	98.7	Very high	94.4	Very high	1 Å²	1	49 Å²	49	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	162.2	-178.8	68.4	85.3	69	0	0	112.8	A35 D50 E55 F57 H58 V161 L163 P164	A35-M48 HydrophobicContact CB-CG 4.1Å; A35-M48 HydrophobicContact CB-SD 3.82Å; A35-M48 PolarHBondContact N-O 2.91Å; A35-M48 PolarHBondContact O-N 3.42Å; M48-D50 HydrophobicContact CE-CB 3.97Å; M48-D50 HydrophobicContact SD-CB 3.99Å; M48-E55 HydrophobicContact CE-CB 4.04Å; M48-E55 HydrophobicContact CE-CG 4Å; M48-F57 WeakPolarHBondContact CA-O 3.38Å; M48-F57 WeakPolarHBondContact CB-O 3.41Å; M48-H58 HydrophobicContact CB-CB 3.95Å; M48-V161 HydrophobicContact CB-CG2 4.04Å; M48-V161 HydrophobicContact CE-CG2 4.11Å; M48-V161 HydrophobicContact CG-CG2 4.18Å; M48-L163 HydrophobicContact CE-CD2 3.52Å; M48-P164 HydrophobicContact SD-CG 4.41Å
49	F	98.6	Very high	94.5	Very high	39 Å²	39	47.2 Å²	47.2	17%	0.171	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	135.8	166.9	-85.5	-101.8	0	0	0	110.3	I32 I33 Q34 F47 I56 F57 F79	I32-F49 HydrophobicContact CG2-CD1 3.84Å; I32-F49 HydrophobicContact CG2-CE1 4.29Å; I33-F49 CarbonylContact O-C 3.58Å; I33-F49 WeakPolarHBondContact O-CA 3.34Å; Q34-F49 HydrophobicContact CB-CD1 4.29Å; Q34-F49 HydrophobicContact CB-CE1 3.86Å; Q34-F49 HydrophobicContact CB-CE2 4.22Å; Q34-F49 HydrophobicContact CB-CZ 3.82Å; Q34-F49 HydrophobicContact CG-CD2 4.4Å; Q34-F49 HydrophobicContact CG-CE1 4.39Å; Q34-F49 HydrophobicContact CG-CE2 3.87Å; Q34-F49 HydrophobicContact CG-CZ 3.85Å; F47-F49 AromaticContact CE1-CD2 3.85Å; F47-F49 HydrophobicContact CE1-CD2 3.85Å; F47-F49 AromaticContact CE1-CE2 3.6Å; F47-F49 HydrophobicContact CE1-CE2 3.6Å; F47-F49 HydrophobicContact CZ-CD2 4.33Å; F47-F49 AromaticContact CZ-CE2 3.66Å; F47-F49 HydrophobicContact CZ-CE2 3.66Å; F49-I56 HydrophobicContact CB-CB 4.25Å; F49-I56 HydrophobicContact CB-CD1 4.11Å; F49-I56 HydrophobicContact CB-CG1 4.39Å; F49-I56 PolarHBondContact O-N 3.38Å; F49-F57 HydrophobicContact CB-CD1 4.18Å; F49-F57 HydrophobicContact CB-CE1 3.84Å; F49-F57 HydrophobicContact CB-CZ 4.19Å; F49-F57 AromaticContact CD2-CE1 3.64Å; F49-F57 HydrophobicContact CD2-CE1 3.64Å; F49-F57 AromaticContact CD2-CE2 3.79Å; F49-F57 HydrophobicContact CD2-CE2 3.79Å; F49-F57 AromaticContact CD2-CZ 3.15Å; F49-F57 HydrophobicContact CD2-CZ 3.15Å; F49-F57 HydrophobicContact CE2-CE1 4.37Å; F49-F57 HydrophobicContact CE2-CE2 4.39Å; F49-F57 AromaticContact CE2-CZ 3.67Å; F49-F57 HydrophobicContact CE2-CZ 3.67Å; F49-F57 AromaticContact CG-CE1 3.85Å; F49-F57 HydrophobicContact CG-CE1 3.85Å; F49-F57 AromaticContact CG-CZ 3.87Å; F49-F57 HydrophobicContact CG-CZ 3.87Å; F49-F57 PolarHBondContact N-O 3.48Å; F49-F79 HydrophobicContact CE2-CE2 4.12Å
50	D	98.3	Very high	94.6	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.016	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	140.8	176.1	178.8	-74.2	0	0	0	109.5	I32 I33 M48 G53 D54 P164 R171	I32-D50 CarbonylContact C-O 3.58Å; I32-D50 VanDerWaalsContact CA-O 3.28Å; I32-D50 WeakPolarHBondContact CA-O 3.32Å; I33-D50 HydrophobicContact CB-CB 4.23Å; I33-D50 PolarHBondContact N-O 2.9Å; I33-D50 PolarHBondContact O-N 2.93Å; M48-D50 HydrophobicContact CE-CB 3.97Å; M48-D50 HydrophobicContact SD-CB 3.99Å; D50-G53 VanDerWaalsContact OD1-CA 3.26Å; D50-G53 WeakPolarHBondContact OD1-CA 3.28Å; D50-G53 PolarHBondContact OD1-N 2.99Å; D50-G53 WeakPolarHBondContact OD2-CA 3.49Å; D50-D54 CarbonylContact C-O 3.56Å; D50-D54 VanDerWaalsContact CA-O 3.28Å; D50-D54 WeakPolarHBondContact CA-O 3.37Å; D50-D54 PolarHBondContact OD2-N 3.45Å; D50-P164 HydrophobicContact CB-CG 4.19Å; D50-R171 IonicContact OD2-NH2 2.72Å
51	F	97.8	Very high	94.8	Very high	81 Å²	81	47.3 Å²	47.3	36%	0.355	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	117.3	169.3	178.5	-96.1	0	0	0	108.9	H30 T31 I32 G53 D54 I56	H30-F51 HydrophobicContact CB-CE2 3.79Å; H30-F51 HydrophobicContact CB-CZ 3.89Å; H30-F51 AromaticContact CG-CZ 3.8Å; H30-F51 AromaticContact ND1-CZ 3.65Å; T31-F51 WeakPolarHBondContact O-CA 3.47Å; I32-F51 HydrophobicContact CD1-CD2 4.29Å; I32-F51 HydrophobicContact CG1-CD2 3.62Å; I32-F51 HydrophobicContact CG1-CE2 4.29Å; F51-G53 PolarHBondContact O-N 3.48Å; F51-D54 PolarHBondContact N-O 3.23Å; F51-D54 PolarHBondContact O-N 3.25Å; F51-I56 HydrophobicContact CB-CD1 3.76Å; F51-I56 HydrophobicContact CB-CG1 3.8Å
52	D	96.5	Very high	95.1	Very high	75 Å²	75	51.3 Å²	51.3	40%	0.401	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	30.8	179.6	-66.7	-14.9	0	0	0	114.5	H30 T31	H30-D52 VanDerWaalsContact CA-OD1 3.27Å; H30-D52 WeakPolarHBondContact CA-OD1 3.4Å; H30-D52 IonicContact CE1-OD2 3.18Å; H30-D52 IonicContact CG-OD2 3.83Å; H30-D52 IonicContact ND1-OD2 3.44Å; H30-D52 PolarHBondContact ND1-OD2 3.15Å; T31-D52 PolarHBondContact N-OD1 3.05Å; T31-D52 PolarHBondContact O-N 2.85Å
53	G	95.9	Very high	95.9	Very high	19 Å²	19	54 Å²	54	20%	0.196	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.4	-0.1	178.3	0	0	0	0	0	115.5	D50 F51 R171	D50-G53 VanDerWaalsContact OD1-CA 3.26Å; D50-G53 WeakPolarHBondContact OD1-CA 3.28Å; D50-G53 PolarHBondContact OD1-N 2.99Å; D50-G53 WeakPolarHBondContact OD2-CA 3.49Å; F51-G53 PolarHBondContact O-N 3.48Å; G53-R171 PolarHBondContact O-NH1 3.48Å
54	D	97.9	Very high	96.7	Very high	119 Å²	119	50.2 Å²	50.2	64%	0.636	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.7	136.9	175.6	-76.1	-51.7	0	0	0	111.9	D50 F51 I56	D50-D54 CarbonylContact C-O 3.56Å; D50-D54 VanDerWaalsContact CA-O 3.28Å; D50-D54 WeakPolarHBondContact CA-O 3.37Å; D50-D54 PolarHBondContact OD2-N 3.45Å; F51-D54 PolarHBondContact N-O 3.23Å; F51-D54 PolarHBondContact O-N 3.25Å; D54-I56 PolarHBondContact O-N 3.01Å
55	E	98.6	Very high	97.3	Very high	12 Å²	12	51.1 Å²	51.1	6%	0.056	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	126.9	172.7	-177.7	-170.4	164.7	0	0	111.2	M48 H58 R69 V161 L163	M48-E55 HydrophobicContact CE-CB 4.04Å; M48-E55 HydrophobicContact CE-CG 4Å; E55-H58 IonicContact OE1-CE1 3.64Å; E55-H58 IonicContact OE1-CG 2.76Å; E55-H58 IonicContact OE1-ND1 2.76Å; E55-H58 PolarHBondContact OE1-ND1 3.43Å; E55-R69 HydrophobicContact CB-CB 4.27Å; E55-R69 HydrophobicContact CB-CG 4.23Å; E55-R69 HydrophobicContact CG-CB 4.12Å; E55-R69 WeakPolarHBondContact O-CB 3.46Å; E55-R69 WeakPolarHBondContact O-CG 3.19Å; E55-V161 HydrophobicContact CG-CG2 4.24Å; E55-L163 HydrophobicContact CB-CD2 3.9Å
56	I	98.5	Very high	97.5	Very high	38 Å²	38	51.5 Å²	51.5	20%	0.195	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-55	168.2	-47.7	179.4	0	0	0	109.4	F49 F51 D54 W68 R69 F73	F49-I56 HydrophobicContact CB-CB 4.25Å; F49-I56 HydrophobicContact CB-CD1 4.11Å; F49-I56 HydrophobicContact CB-CG1 4.39Å; F49-I56 PolarHBondContact O-N 3.38Å; F51-I56 HydrophobicContact CB-CD1 3.76Å; F51-I56 HydrophobicContact CB-CG1 3.8Å; D54-I56 PolarHBondContact O-N 3.01Å; I56-W68 HydrophobicContact CG2-CE3 4.24Å; I56-W68 HydrophobicContact CG2-CZ3 3.84Å; I56-R69 WeakPolarHBondContact O-CB 3.24Å; I56-R69 PolarHBondContact O-N 3.29Å; I56-F73 HydrophobicContact CG2-CD2 4.27Å
57	F	98.7	Very high	97.5	Very high	13 Å²	13	52.9 Å²	52.9	6%	0.057	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	163.6	178.1	70.9	-94.9	0	0	0	110.9	F47 M48 F49 V59 T66 I67 W68 F79	F47-F57 HydrophobicContact CE1-CE2 4.24Å; M48-F57 WeakPolarHBondContact CA-O 3.38Å; M48-F57 WeakPolarHBondContact CB-O 3.41Å; F49-F57 HydrophobicContact CB-CD1 4.18Å; F49-F57 HydrophobicContact CB-CE1 3.84Å; F49-F57 HydrophobicContact CB-CZ 4.19Å; F49-F57 AromaticContact CD2-CE1 3.64Å; F49-F57 HydrophobicContact CD2-CE1 3.64Å; F49-F57 AromaticContact CD2-CE2 3.79Å; F49-F57 HydrophobicContact CD2-CE2 3.79Å; F49-F57 AromaticContact CD2-CZ 3.15Å; F49-F57 HydrophobicContact CD2-CZ 3.15Å; F49-F57 HydrophobicContact CE2-CE1 4.37Å; F49-F57 HydrophobicContact CE2-CE2 4.39Å; F49-F57 AromaticContact CE2-CZ 3.67Å; F49-F57 HydrophobicContact CE2-CZ 3.67Å; F49-F57 AromaticContact CG-CE1 3.85Å; F49-F57 HydrophobicContact CG-CE1 3.85Å; F49-F57 AromaticContact CG-CZ 3.87Å; F49-F57 HydrophobicContact CG-CZ 3.87Å; F49-F57 PolarHBondContact N-O 3.48Å; F57-V59 HydrophobicContact CE2-CG2 4.48Å; F57-T66 HydrophobicContact CB-CG2 4.19Å; F57-T66 HydrophobicContact CD2-CG2 3.63Å; F57-T66 HydrophobicContact CE2-CG2 4.19Å; F57-T66 HydrophobicContact CG-CG2 3.99Å; F57-I67 CarbonylContact C-O 3.53Å; F57-I67 WeakPolarHBondContact CA-O 3.33Å; F57-I67 VanDerWaalsContact CB-O 3.26Å; F57-I67 WeakPolarHBondContact CB-O 3.34Å; F57-W68 HydrophobicContact CB-CD2 4.12Å; F57-W68 HydrophobicContact CB-CE3 3.91Å; F57-W68 HydrophobicContact CB-CG 4.5Å; F57-W68 HydrophobicContact CB-CZ3 4.34Å; F57-W68 HydrophobicContact CD1-CE3 4.21Å; F57-W68 HydrophobicContact CD1-CH2 4.01Å; F57-W68 AromaticContact CD1-CZ3 3.78Å; F57-W68 HydrophobicContact CD1-CZ3 3.78Å; F57-W68 HydrophobicContact CE1-CH2 4.47Å; F57-W68 HydrophobicContact CG-CE3 4.45Å; F57-W68 HydrophobicContact CG-CZ3 4.42Å; F57-F79 HydrophobicContact CE1-CB 4.3Å; F57-F79 HydrophobicContact CE1-CD2 4.48Å; F57-F79 HydrophobicContact CE1-CG 4.4Å; F57-F79 HydrophobicContact CE2-CB 3.98Å; F57-F79 AromaticContact CE2-CD1 3.54Å; F57-F79 HydrophobicContact CE2-CD1 3.54Å; F57-F79 HydrophobicContact CE2-CD2 4.08Å; F57-F79 HydrophobicContact CE2-CE1 4Å; F57-F79 HydrophobicContact CE2-CE2 4.47Å; F57-F79 AromaticContact CE2-CG 3.59Å; F57-F79 HydrophobicContact CE2-CG 3.59Å; F57-F79 HydrophobicContact CE2-CZ 4.44Å; F57-F79 HydrophobicContact CZ-CB 3.76Å; F57-F79 AromaticContact CZ-CD1 3.9Å; F57-F79 HydrophobicContact CZ-CD1 3.9Å; F57-F79 AromaticContact CZ-CD2 3.54Å; F57-F79 HydrophobicContact CZ-CD2 3.54Å; F57-F79 HydrophobicContact CZ-CE1 4.38Å; F57-F79 HydrophobicContact CZ-CE2 4.06Å; F57-F79 AromaticContact CZ-CG 3.44Å; F57-F79 HydrophobicContact CZ-CG 3.44Å; F57-F79 VanDerWaalsContact CZ-CG 3.44Å; F57-F79 HydrophobicContact CZ-CZ 4.46Å
58	H	98.8	Very high	97.5	Very high	41 Å²	41	54.7 Å²	54.7	19%	0.19	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	170.7	165.2	67.1	-88.3	0	0	0	111	F47 M48 E55 I67 V161	F47-H58 VanDerWaalsContact O-CA 3.28Å; F47-H58 WeakPolarHBondContact O-CA 3.32Å; F47-H58 WeakPolarHBondContact O-CB 3.48Å; M48-H58 HydrophobicContact CB-CB 3.95Å; E55-H58 IonicContact OE1-CE1 3.64Å; E55-H58 IonicContact OE1-CG 2.76Å; E55-H58 IonicContact OE1-ND1 2.76Å; E55-H58 PolarHBondContact OE1-ND1 3.43Å; H58-I67 PolarHBondContact N-O 3.25Å; H58-I67 PolarHBondContact O-N 2.95Å; H58-V161 HydrophobicContact CB-CG1 3.69Å; H58-V161 HydrophobicContact CB-CG2 4.28Å
59	V	98.6	Very high	97.5	Very high	4 Å²	4	59.1 Å²	59.1	2%	0.024	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	122.2	173	178.2	0	0	0	0	110.1	F47 F57 I61 E65 F79 A81 A84	F47-V59 HydrophobicContact CD1-CG2 4.07Å; F47-V59 PolarHBondContact O-N 3.46Å; F57-V59 HydrophobicContact CE2-CG2 4.48Å; V59-I61 HydrophobicContact CB-CD1 4.36Å; V59-I61 HydrophobicContact CG1-CD1 4.12Å; V59-I61 PolarHBondContact O-N 2.93Å; V59-E65 CarbonylContact C-O 3.6Å; V59-E65 WeakPolarHBondContact CA-O 3.36Å; V59-F79 HydrophobicContact CG2-CD1 4.06Å; V59-F79 HydrophobicContact CG2-CE1 3.87Å; V59-A81 HydrophobicContact CG1-CB 3.74Å; V59-A81 HydrophobicContact CG2-CB 4.49Å; V59-A84 HydrophobicContact CB-CB 3.88Å; V59-A84 HydrophobicContact CG1-CB 4.09Å; V59-A84 HydrophobicContact CG2-CB 3.62Å
60	D	97.4	Very high	97.5	Very high	36 Å²	36	60.8 Å²	60.8	19%	0.193	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	98.4	166.6	-176	-32.8	0	0	0	107.9	K62 K63 S64 E65 I67	D60-K62 PolarHBondContact O-N 3.38Å; D60-K62 WeakPolarHBondContact OD1-CB 3.32Å; D60-K62 PolarHBondContact OD1-N 3.47Å; D60-K63 HydrophobicContact CB-CB 4.18Å; D60-K63 PolarHBondContact O-N 3.32Å; D60-K63 PolarHBondContact OD1-N 3.5Å; D60-K63 VanDerWaalsContact OD2-CD 3.32Å; D60-K63 WeakPolarHBondContact OD2-CD 3.29Å; D60-K63 VanDerWaalsContact OD2-CE 3.28Å; D60-K63 WeakPolarHBondContact OD2-CE 3.43Å; D60-K63 WeakPolarHBondContact OD2-CG 3.49Å; D60-K63 IonicContact OD2-NZ 2.76Å; D60-K63 PolarHBondContact OD2-NZ 3.04Å; D60-S64 WeakPolarHBondContact O-CA 3.3Å; D60-S64 PolarHBondContact O-N 3.07Å; D60-E65 PolarHBondContact N-O 2.95Å; D60-E65 PolarHBondContact O-N 3.42Å; D60-I67 HydrophobicContact CB-CG1 4.14Å
61	I	94.8	Very high	97.4	Very high	50 Å²	50	69 Å²	69	26%	0.256	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-32.1	-176.1	-57.1	-58.2	0	0	0	111.9	V59 L85 I88	V59-I61 HydrophobicContact CB-CD1 4.36Å; V59-I61 HydrophobicContact CG1-CD1 4.12Å; V59-I61 PolarHBondContact O-N 2.93Å; I61-L85 HydrophobicContact CB-CD2 4.23Å; I61-L85 HydrophobicContact CD1-CD2 3.91Å; I61-L85 HydrophobicContact CG2-CD2 3.72Å; I61-I88 HydrophobicContact CD1-CG1 3.86Å
62	K	93.4	Very high	97.4	Very high	188 Å²	188	70.4 Å²	70.4	82%	0.817	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-38.4	-178.5	-66.3	176.9	-178.1	170.3	0	111.5	D60	D60-K62 PolarHBondContact O-N 3.38Å; D60-K62 WeakPolarHBondContact OD1-CB 3.32Å; D60-K62 PolarHBondContact OD1-N 3.47Å
63	K	96.4	Very high	97.5	Very high	130 Å²	130	70.2 Å²	70.2	57%	0.565	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-14.5	178.7	-62.7	-176.2	-162.3	125.1	0	113.4	D60 E65	D60-K63 HydrophobicContact CB-CB 4.18Å; D60-K63 PolarHBondContact O-N 3.32Å; D60-K63 PolarHBondContact OD1-N 3.5Å; D60-K63 VanDerWaalsContact OD2-CD 3.32Å; D60-K63 WeakPolarHBondContact OD2-CD 3.29Å; D60-K63 VanDerWaalsContact OD2-CE 3.28Å; D60-K63 WeakPolarHBondContact OD2-CE 3.43Å; D60-K63 WeakPolarHBondContact OD2-CG 3.49Å; D60-K63 IonicContact OD2-NZ 2.76Å; D60-K63 PolarHBondContact OD2-NZ 3.04Å; K63-E65 VanDerWaalsContact C-N 3.29Å; K63-E65 HydrophobicContact CB-CB 4.19Å; K63-E65 HydrophobicContact CB-CG 4.04Å
64	S	96.6	Very high	97.5	Very high	63 Å²	63	71.6 Å²	71.6	44%	0.441	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	43.1	-172.2	-52.2	0	0	0	0	111.9	D60 A81 L85	D60-S64 WeakPolarHBondContact O-CA 3.3Å; D60-S64 PolarHBondContact O-N 3.07Å; S64-A81 VanDerWaalsContact C-CB 3.5Å; S64-A81 VanDerWaalsContact O-CB 3.25Å; S64-A81 WeakPolarHBondContact O-CB 3.43Å; S64-L85 WeakPolarHBondContact OG-CD1 2.97Å
65	E	97.6	Very high	97.4	Very high	105 Å²	105	73.1 Å²	73.1	49%	0.491	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	139.2	-174.5	-73.4	177.2	170.1	0	0	111.4	V59 D60 K63 I67	V59-E65 CarbonylContact C-O 3.6Å; V59-E65 WeakPolarHBondContact CA-O 3.36Å; D60-E65 PolarHBondContact N-O 2.95Å; D60-E65 PolarHBondContact O-N 3.42Å; K63-E65 VanDerWaalsContact C-N 3.29Å; K63-E65 HydrophobicContact CB-CB 4.19Å; K63-E65 HydrophobicContact CB-CG 4.04Å; E65-I67 HydrophobicContact CB-CD1 4.19Å
66	T	98.4	Very high	97.4	Very high	30 Å²	30	80.6 Å²	80.6	18%	0.184	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	120.6	171.6	-56.8	0	0	0	0	109.2	F57 W68 F79	F57-T66 HydrophobicContact CB-CG2 4.19Å; F57-T66 HydrophobicContact CD2-CG2 3.63Å; F57-T66 HydrophobicContact CE2-CG2 4.19Å; F57-T66 HydrophobicContact CG-CG2 3.99Å; T66-W68 HydrophobicContact CG2-CZ2 4.34Å; T66-F79 HydrophobicContact CG2-CB 3.97Å; T66-F79 HydrophobicContact CG2-CD1 4.47Å; T66-F79 PolarHBondContact OG1-O 3.33Å
67	I	98.4	Very high	97.3	Very high	60 Å²	60	81.1 Å²	81.1	31%	0.308	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	112.1	-179.9	-50.7	-57.2	0	0	0	108.8	F57 H58 D60 E65	F57-I67 CarbonylContact C-O 3.53Å; F57-I67 WeakPolarHBondContact CA-O 3.33Å; F57-I67 VanDerWaalsContact CB-O 3.26Å; F57-I67 WeakPolarHBondContact CB-O 3.34Å; H58-I67 PolarHBondContact N-O 3.25Å; H58-I67 PolarHBondContact O-N 2.95Å; D60-I67 HydrophobicContact CB-CG1 4.14Å; E65-I67 HydrophobicContact CB-CD1 4.19Å
68	W	98.5	Very high	97.3	Very high	42 Å²	42	86 Å²	86	16%	0.159	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	136	178.9	-64.6	88.2	0	0	0	111	I56 F57 T66 L70 F73 A74 A77	I56-W68 HydrophobicContact CG2-CE3 4.24Å; I56-W68 HydrophobicContact CG2-CZ3 3.84Å; F57-W68 HydrophobicContact CB-CD2 4.12Å; F57-W68 HydrophobicContact CB-CE3 3.91Å; F57-W68 HydrophobicContact CB-CG 4.5Å; F57-W68 HydrophobicContact CB-CZ3 4.34Å; F57-W68 HydrophobicContact CD1-CE3 4.21Å; F57-W68 HydrophobicContact CD1-CH2 4.01Å; F57-W68 AromaticContact CD1-CZ3 3.78Å; F57-W68 HydrophobicContact CD1-CZ3 3.78Å; F57-W68 HydrophobicContact CE1-CH2 4.47Å; F57-W68 HydrophobicContact CG-CE3 4.45Å; F57-W68 HydrophobicContact CG-CZ3 4.42Å; T66-W68 HydrophobicContact CG2-CZ2 4.34Å; W68-L70 WeakPolarHBondContact CB-O 3.48Å; W68-L70 PolarHBondContact O-N 3.39Å; W68-F73 HydrophobicContact CD2-CB 4.13Å; W68-F73 HydrophobicContact CE3-CB 3.43Å; W68-F73 VanDerWaalsContact CE3-CB 3.43Å; W68-F73 HydrophobicContact CE3-CD2 4.45Å; W68-F73 HydrophobicContact CE3-CG 4.46Å; W68-F73 HydrophobicContact CZ3-CB 3.97Å; W68-A74 VanDerWaalsContact CD1-CB 3.41Å; W68-A74 HydrophobicContact CD2-CB 4.27Å; W68-A74 HydrophobicContact CG-CB 3.83Å; W68-A77 HydrophobicContact CH2-CB 3.47Å; W68-A77 VanDerWaalsContact CH2-CB 3.47Å; W68-A77 HydrophobicContact CZ2-CB 4.17Å; W68-A77 VanDerWaalsContact CZ2-O 3.27Å; W68-A77 WeakPolarHBondContact CZ2-O 3.48Å; W68-A77 HydrophobicContact CZ3-CB 4.13Å
69	R	98.1	Very high	97.2	Very high	93 Å²	93	87 Å²	87	35%	0.351	44%	0.436	S	S	.	.	S	Bend	trans	-60.7	-37.7	179.2	178.6	61.8	-172.4	92.4	-7.1	112.2	E55 I56	E55-R69 HydrophobicContact CB-CB 4.27Å; E55-R69 HydrophobicContact CB-CG 4.23Å; E55-R69 HydrophobicContact CG-CB 4.12Å; E55-R69 WeakPolarHBondContact O-CB 3.46Å; E55-R69 WeakPolarHBondContact O-CG 3.19Å; I56-R69 WeakPolarHBondContact O-CB 3.24Å; I56-R69 PolarHBondContact O-N 3.29Å
70	L	97.9	Very high	97.2	Very high	75 Å²	75	94.2 Å²	94.2	39%	0.393	47%	0.469	S	S	.	.	S	Bend	trans	-122.1	127.6	169.3	-59.8	179.9	0	0	0	108.5	W68 E72 F73	W68-L70 WeakPolarHBondContact CB-O 3.48Å; W68-L70 PolarHBondContact O-N 3.39Å; L70-E72 HydrophobicContact CB-CG 4Å; L70-E72 PolarHBondContact O-N 3.05Å; L70-E72 VanDerWaalsContact O-N 3.15Å; L70-F73 HydrophobicContact CB-CD1 4.43Å; L70-F73 HydrophobicContact CB-CD2 4.13Å; L70-F73 HydrophobicContact CB-CE1 4.46Å; L70-F73 HydrophobicContact CB-CE2 4.18Å; L70-F73 HydrophobicContact CB-CG 4.27Å; L70-F73 HydrophobicContact CB-CZ 4.36Å; L70-F73 HydrophobicContact CD1-CE1 4.06Å; L70-F73 HydrophobicContact CD1-CE2 4.12Å; L70-F73 HydrophobicContact CD1-CZ 3.7Å; L70-F73 HydrophobicContact CG-CE2 4.25Å; L70-F73 HydrophobicContact CG-CZ 4.32Å; L70-F73 WeakPolarHBondContact O-CB 2.97Å; L70-F73 PolarHBondContact O-N 3.49Å
71	E	96.4	Very high	97.2	Very high	176 Å²	176	93 Å²	93	82%	0.822	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-60.3	-28.6	-175.9	-65.4	-177.6	178.3	0	0	113.2	F73 A74	E71-F73 PolarHBondContact O-N 3.3Å; E71-A74 VanDerWaalsContact O-CB 3.28Å; E71-A74 WeakPolarHBondContact O-CB 3.37Å; E71-A74 PolarHBondContact O-N 2.88Å
72	E	97.8	Very high	97.4	Very high	109 Å²	109	96.1 Å²	96.1	51%	0.509	48%	0.478	S	S	.	.	G	3₁₀ helix	trans	-62.6	-28.3	176.4	60.6	-169.2	-134.4	0	0	113.4	L70 A74 Q75 F76	L70-E72 HydrophobicContact CB-CG 4Å; L70-E72 PolarHBondContact O-N 3.05Å; L70-E72 VanDerWaalsContact O-N 3.15Å; E72-A74 PolarHBondContact O-N 3.47Å; E72-Q75 VanDerWaalsContact O-CB 3.3Å; E72-Q75 WeakPolarHBondContact O-CB 3.08Å; E72-Q75 WeakPolarHBondContact O-CG 3.18Å; E72-Q75 PolarHBondContact O-N 2.92Å; E72-Q75 VanDerWaalsContact O-N 3.07Å; E72-F76 WeakPolarHBondContact O-CD2 3.42Å; E72-F76 VanDerWaalsContact O-CE2 3.3Å; E72-F76 WeakPolarHBondContact O-CE2 3.24Å
73	F	97.9	Very high	97.5	Very high	71 Å²	71	88.8 Å²	88.8	31%	0.311	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-63.6	-31.6	176.8	-65.8	-13.5	0	0	0	112.1	I56 W68 L70 E71 Q75 F76 A77	I56-F73 HydrophobicContact CG2-CD2 4.27Å; W68-F73 HydrophobicContact CD2-CB 4.13Å; W68-F73 HydrophobicContact CE3-CB 3.43Å; W68-F73 VanDerWaalsContact CE3-CB 3.43Å; W68-F73 HydrophobicContact CE3-CD2 4.45Å; W68-F73 HydrophobicContact CE3-CG 4.46Å; W68-F73 HydrophobicContact CZ3-CB 3.97Å; L70-F73 HydrophobicContact CB-CD1 4.43Å; L70-F73 HydrophobicContact CB-CD2 4.13Å; L70-F73 HydrophobicContact CB-CE1 4.46Å; L70-F73 HydrophobicContact CB-CE2 4.18Å; L70-F73 HydrophobicContact CB-CG 4.27Å; L70-F73 HydrophobicContact CB-CZ 4.36Å; L70-F73 HydrophobicContact CD1-CE1 4.06Å; L70-F73 HydrophobicContact CD1-CE2 4.12Å; L70-F73 HydrophobicContact CD1-CZ 3.7Å; L70-F73 HydrophobicContact CG-CE2 4.25Å; L70-F73 HydrophobicContact CG-CZ 4.32Å; L70-F73 WeakPolarHBondContact O-CB 2.97Å; L70-F73 PolarHBondContact O-N 3.49Å; E71-F73 PolarHBondContact O-N 3.3Å; F73-Q75 PolarHBondContact O-N 3.42Å; F73-Q75 VanDerWaalsContact O-N 3.11Å; F73-F76 PolarHBondContact O-N 3.34Å; F73-A77 PolarHBondContact O-N 3.05Å; F73-A77 VanDerWaalsContact O-N 3.1Å
74	A	96.2	Very high	97.6	Very high	48 Å²	48	82.6 Å²	82.6	40%	0.397	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-64	-15.5	176.2	0	0	0	0	0	113.5	W68 E71 E72	W68-A74 VanDerWaalsContact CD1-CB 3.41Å; W68-A74 HydrophobicContact CD2-CB 4.27Å; W68-A74 HydrophobicContact CG-CB 3.83Å; E71-A74 VanDerWaalsContact O-CB 3.28Å; E71-A74 WeakPolarHBondContact O-CB 3.37Å; E71-A74 PolarHBondContact O-N 2.88Å; E72-A74 PolarHBondContact O-N 3.47Å
75	Q	97.4	Very high	97.7	Very high	152 Å²	152	81.2 Å²	81.2	71%	0.71	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-79.9	-23.5	176.5	-56.3	178.6	16.9	0	0	112.2	E72 F73	E72-Q75 VanDerWaalsContact O-CB 3.3Å; E72-Q75 WeakPolarHBondContact O-CB 3.08Å; E72-Q75 WeakPolarHBondContact O-CG 3.18Å; E72-Q75 PolarHBondContact O-N 2.92Å; E72-Q75 VanDerWaalsContact O-N 3.07Å; F73-Q75 PolarHBondContact O-N 3.42Å; F73-Q75 VanDerWaalsContact O-N 3.11Å
76	F	97.4	Very high	97.7	Very high	169 Å²	169	78.5 Å²	78.5	74%	0.741	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	-21.9	-173.2	-53.7	-69.9	0	0	0	113	E72 F73	E72-F76 WeakPolarHBondContact O-CD2 3.42Å; E72-F76 VanDerWaalsContact O-CE2 3.3Å; E72-F76 WeakPolarHBondContact O-CE2 3.24Å; F73-F76 PolarHBondContact O-N 3.34Å
77	A	97.6	Very high	97.7	Very high	49 Å²	49	79.8 Å²	79.8	41%	0.405	42%	0.418	S	S	.	.			trans	-141.7	158.8	-177.2	0	0	0	0	0	111.8	W68 F73	W68-A77 HydrophobicContact CH2-CB 3.47Å; W68-A77 VanDerWaalsContact CH2-CB 3.47Å; W68-A77 HydrophobicContact CZ2-CB 4.17Å; W68-A77 VanDerWaalsContact CZ2-O 3.27Å; W68-A77 WeakPolarHBondContact CZ2-O 3.48Å; W68-A77 HydrophobicContact CZ3-CB 4.13Å; F73-A77 PolarHBondContact O-N 3.05Å; F73-A77 VanDerWaalsContact O-N 3.1Å
78	S	97.3	Very high	97.6	Very high	115 Å²	115	77.4 Å²	77.4	80%	0.804	41%	0.406	S	S	*	.			trans	-137	152.1	173.9	61.8	0	0	0	0	109.7
79	F	98.1	Very high	97.5	Very high	61 Å²	61	78.4 Å²	78.4	27%	0.268	42%	0.422	S	S	.	.			trans	-139.9	133.9	174.4	-178.3	-94.3	0	0	0	109.3	F47 F49 F57 V59 T66 A81 A84	F47-F79 AromaticContact CE1-CE1 3.88Å; F47-F79 HydrophobicContact CE1-CE1 3.88Å; F47-F79 HydrophobicContact CE1-CE2 4.37Å; F47-F79 AromaticContact CE1-CZ 3.58Å; F47-F79 HydrophobicContact CE1-CZ 3.58Å; F47-F79 HydrophobicContact CZ-CE1 4.4Å; F47-F79 HydrophobicContact CZ-CE2 4.45Å; F47-F79 AromaticContact CZ-CZ 3.72Å; F47-F79 HydrophobicContact CZ-CZ 3.72Å; F49-F79 HydrophobicContact CE2-CE2 4.12Å; F57-F79 HydrophobicContact CE1-CB 4.3Å; F57-F79 HydrophobicContact CE1-CD2 4.48Å; F57-F79 HydrophobicContact CE1-CG 4.4Å; F57-F79 HydrophobicContact CE2-CB 3.98Å; F57-F79 AromaticContact CE2-CD1 3.54Å; F57-F79 HydrophobicContact CE2-CD1 3.54Å; F57-F79 HydrophobicContact CE2-CD2 4.08Å; F57-F79 HydrophobicContact CE2-CE1 4Å; F57-F79 HydrophobicContact CE2-CE2 4.47Å; F57-F79 AromaticContact CE2-CG 3.59Å; F57-F79 HydrophobicContact CE2-CG 3.59Å; F57-F79 HydrophobicContact CE2-CZ 4.44Å; F57-F79 HydrophobicContact CZ-CB 3.76Å; F57-F79 AromaticContact CZ-CD1 3.9Å; F57-F79 HydrophobicContact CZ-CD1 3.9Å; F57-F79 AromaticContact CZ-CD2 3.54Å; F57-F79 HydrophobicContact CZ-CD2 3.54Å; F57-F79 HydrophobicContact CZ-CE1 4.38Å; F57-F79 HydrophobicContact CZ-CE2 4.06Å; F57-F79 AromaticContact CZ-CG 3.44Å; F57-F79 HydrophobicContact CZ-CG 3.44Å; F57-F79 VanDerWaalsContact CZ-CG 3.44Å; F57-F79 HydrophobicContact CZ-CZ 4.46Å; V59-F79 HydrophobicContact CG2-CD1 4.06Å; V59-F79 HydrophobicContact CG2-CE1 3.87Å; T66-F79 HydrophobicContact CG2-CB 3.97Å; T66-F79 HydrophobicContact CG2-CD1 4.47Å; T66-F79 PolarHBondContact OG1-O 3.33Å; F79-A81 PolarHBondContact O-N 2.92Å; F79-A84 HydrophobicContact CE1-CB 4.09Å
80	E	97.9	Very high	97.6	Very high	156 Å²	156	77.8 Å²	77.8	73%	0.729	43%	0.429	S	S	*	.			trans	-86	109	179.1	-173.9	175.7	-158.6	0	0	110.1	Q82 G83	E80-Q82 HydrophobicContact CG-CB 4.06Å; E80-Q82 PolarHBondContact O-N 3.5Å; E80-G83 PolarHBondContact O-N 2.9Å
81	A	97.9	Very high	97.6	Very high	10 Å²	10	75.6 Å²	75.6	8%	0.083	42%	0.418	C	S	.	.	H	α-helix	trans	-54.1	-27.6	-177.1	0	0	0	0	0	113.8	V59 S64 F79 G83 A84 L85	V59-A81 HydrophobicContact CG1-CB 3.74Å; V59-A81 HydrophobicContact CG2-CB 4.49Å; S64-A81 VanDerWaalsContact C-CB 3.5Å; S64-A81 VanDerWaalsContact O-CB 3.25Å; S64-A81 WeakPolarHBondContact O-CB 3.43Å; F79-A81 PolarHBondContact O-N 2.92Å; A81-G83 PolarHBondContact O-N 3.4Å; A81-A84 WeakPolarHBondContact O-CB 3.45Å; A81-A84 PolarHBondContact O-N 3.05Å; A81-A84 VanDerWaalsContact O-N 3.09Å; A81-L85 WeakPolarHBondContact O-CG 3.31Å; A81-L85 PolarHBondContact O-N 3.46Å; A81-L85 VanDerWaalsContact O-N 3.12Å
82	Q	97.5	Very high	97.6	Very high	116 Å²	116	71 Å²	71	54%	0.542	40%	0.395	S	S	.	.	H	α-helix	trans	-57.7	-32.5	178.6	-171.1	59	44.1	0	0	113.2	E80 L85 A86	E80-Q82 HydrophobicContact CG-CB 4.06Å; E80-Q82 PolarHBondContact O-N 3.5Å; Q82-L85 PolarHBondContact O-N 2.84Å; Q82-A86 PolarHBondContact O-N 2.84Å; Q82-A86 VanDerWaalsContact O-N 3.09Å
83	G	96.8	Very high	97.6	Very high	35 Å²	35	68 Å²	68	36%	0.361	39%	0.389	S	S	.	.	H	α-helix	trans	-62.6	-46.7	175.2	0	0	0	0	0	111.9	E80 A81 L85 A86 N87	E80-G83 PolarHBondContact O-N 2.9Å; A81-G83 PolarHBondContact O-N 3.4Å; G83-L85 PolarHBondContact O-N 2.85Å; G83-A86 PolarHBondContact O-N 3.29Å; G83-N87 PolarHBondContact O-N 2.73Å; G83-N87 PolarHBondContact O-OD1 3.33Å
84	A	97.9	Very high	97.6	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-62.5	-42.6	176.4	0	0	0	0	0	112	F47 V59 F79 A81 A86 N87 I88	F47-A84 HydrophobicContact CB-CB 3.87Å; F47-A84 HydrophobicContact CD1-CB 3.53Å; F47-A84 HydrophobicContact CD2-CB 3.72Å; F47-A84 HydrophobicContact CE1-CB 3.93Å; F47-A84 HydrophobicContact CE2-CB 4.08Å; F47-A84 HydrophobicContact CG-CB 3.42Å; F47-A84 VanDerWaalsContact CG-CB 3.42Å; F47-A84 HydrophobicContact CZ-CB 4.19Å; V59-A84 HydrophobicContact CB-CB 3.88Å; V59-A84 HydrophobicContact CG1-CB 4.09Å; V59-A84 HydrophobicContact CG2-CB 3.62Å; F79-A84 HydrophobicContact CE1-CB 4.09Å; A81-A84 WeakPolarHBondContact O-CB 3.45Å; A81-A84 PolarHBondContact O-N 3.05Å; A81-A84 VanDerWaalsContact O-N 3.09Å; A84-A86 VanDerWaalsContact C-N 3.28Å; A84-A86 PolarHBondContact O-N 3.43Å; A84-N87 PolarHBondContact O-N 3.34Å; A84-I88 VanDerWaalsContact O-CG1 3.32Å; A84-I88 WeakPolarHBondContact O-CG1 3.36Å; A84-I88 PolarHBondContact O-N 2.75Å
85	L	97.6	Very high	97.6	Very high	33 Å²	33	68.5 Å²	68.5	17%	0.173	39%	0.388	C	S	.	.	H	α-helix	trans	-59.9	-38.9	176.8	-60.5	177.7	0	0	0	112.2	I61 S64 A81 Q82 G83 A89	I61-L85 HydrophobicContact CB-CD2 4.23Å; I61-L85 HydrophobicContact CD1-CD2 3.91Å; I61-L85 HydrophobicContact CG2-CD2 3.72Å; S64-L85 WeakPolarHBondContact OG-CD1 2.97Å; A81-L85 WeakPolarHBondContact O-CG 3.31Å; A81-L85 PolarHBondContact O-N 3.46Å; A81-L85 VanDerWaalsContact O-N 3.12Å; Q82-L85 PolarHBondContact O-N 2.84Å; G83-L85 PolarHBondContact O-N 2.85Å; L85-A89 PolarHBondContact O-N 2.96Å; L85-A89 VanDerWaalsContact O-N 3.12Å
86	A	97.9	Very high	97.6	Very high	49 Å²	49	64.2 Å²	64.2	41%	0.405	37%	0.37	S	S	.	.	H	α-helix	trans	-66.4	-42.5	176.2	0	0	0	0	0	111.7	Q82 G83 A84 A89 V90	Q82-A86 PolarHBondContact O-N 2.84Å; Q82-A86 VanDerWaalsContact O-N 3.09Å; G83-A86 PolarHBondContact O-N 3.29Å; A84-A86 VanDerWaalsContact C-N 3.28Å; A84-A86 PolarHBondContact O-N 3.43Å; A86-A89 PolarHBondContact O-N 3.41Å; A86-V90 WeakPolarHBondContact O-CG2 3.3Å; A86-V90 PolarHBondContact O-N 3.44Å; A86-V90 VanDerWaalsContact O-N 3.16Å
87	N	98.1	Very high	97.6	Very high	56 Å²	56	60.5 Å²	60.5	30%	0.299	36%	0.357	S	S	.	.	H	α-helix	trans	-60.7	-50	175	-81.1	28.8	0	0	0	111.6	Q34 E36 F47 G83 A84 A89 V90 D91	Q34-N87 PolarHBondContact NE2-ND2 3.37Å; E36-N87 PolarHBondContact OE1-ND2 3.41Å; E36-N87 WeakPolarHBondContact OE2-CB 3.47Å; E36-N87 PolarHBondContact OE2-ND2 3.03Å; F47-N87 HydrophobicContact CD2-CB 4.41Å; F47-N87 HydrophobicContact CE2-CB 4.34Å; G83-N87 PolarHBondContact O-N 2.73Å; G83-N87 PolarHBondContact O-OD1 3.33Å; A84-N87 PolarHBondContact O-N 3.34Å; N87-A89 PolarHBondContact O-N 2.9Å; N87-V90 CarbonylContact O-C 3.57Å; N87-V90 WeakPolarHBondContact O-CA 3.39Å; N87-V90 WeakPolarHBondContact O-CB 2.96Å; N87-V90 PolarHBondContact O-N 2.99Å; N87-D91 PolarHBondContact O-N 3.35Å
88	I	97.9	Very high	97.6	Very high	11 Å²	11	62.7 Å²	62.7	6%	0.056	36%	0.36	C	S	.	.	H	α-helix	trans	-58.3	-35.5	178.3	-68.1	-59.4	0	0	0	112.2	E36 Y38 E46 F47 I61 A84 D91 K92	E36-I88 HydrophobicContact CB-CD1 4.42Å; Y38-I88 HydrophobicContact CD2-CG2 3.84Å; Y38-I88 HydrophobicContact CE2-CG2 4.08Å; E46-I88 WeakPolarHBondContact O-CD1 3.44Å; F47-I88 HydrophobicContact CB-CD1 4.35Å; F47-I88 HydrophobicContact CB-CG1 4.43Å; I61-I88 HydrophobicContact CD1-CG1 3.86Å; A84-I88 VanDerWaalsContact O-CG1 3.32Å; A84-I88 WeakPolarHBondContact O-CG1 3.36Å; A84-I88 PolarHBondContact O-N 2.75Å; I88-D91 PolarHBondContact O-N 2.95Å; I88-K92 WeakPolarHBondContact O-CB 3.31Å; I88-K92 PolarHBondContact O-N 2.99Å
89	A	96.8	Very high	97.6	Very high	62 Å²	62	59.6 Å²	59.6	51%	0.512	33%	0.334	S	S	.	.	H	α-helix	trans	-66.8	-37.1	174.2	0	0	0	0	0	112.7	L85 A86 N87 A93	L85-A89 PolarHBondContact O-N 2.96Å; L85-A89 VanDerWaalsContact O-N 3.12Å; A86-A89 PolarHBondContact O-N 3.41Å; N87-A89 PolarHBondContact O-N 2.9Å; A89-A93 PolarHBondContact O-N 2.74Å
90	V	98.2	Very high	97.6	Very high	80 Å²	80	64.4 Å²	64.4	49%	0.485	36%	0.355	S	S	.	.	H	α-helix	trans	-69.4	-42.8	174	173.6	0	0	0	0	110.6	A86 N87 K92 A93 N94	A86-V90 WeakPolarHBondContact O-CG2 3.3Å; A86-V90 PolarHBondContact O-N 3.44Å; A86-V90 VanDerWaalsContact O-N 3.16Å; N87-V90 CarbonylContact O-C 3.57Å; N87-V90 WeakPolarHBondContact O-CA 3.39Å; N87-V90 WeakPolarHBondContact O-CB 2.96Å; N87-V90 PolarHBondContact O-N 2.99Å; V90-K92 VanDerWaalsContact C-N 3.32Å; V90-K92 PolarHBondContact O-N 3Å; V90-A93 WeakPolarHBondContact O-CB 3.44Å; V90-A93 PolarHBondContact O-N 2.68Å; V90-A93 VanDerWaalsContact O-N 3.08Å; V90-N94 WeakPolarHBondContact O-CB 3.37Å; V90-N94 VanDerWaalsContact O-CG 3.29Å; V90-N94 PolarHBondContact O-N 3.15Å; V90-N94 PolarHBondContact O-ND2 2.87Å
91	D	98	Very high	97.6	Very high	30 Å²	30	65.7 Å²	65.7	16%	0.16	35%	0.353	C	S	.	.	H	α-helix	trans	-60.4	-42.8	177.5	-68.2	-26.6	0	0	0	111.7	E36 N87 I88 A93 N94 L95	E36-D91 WeakPolarHBondContact CG-OD2 3.39Å; N87-D91 PolarHBondContact O-N 3.35Å; I88-D91 PolarHBondContact O-N 2.95Å; D91-A93 PolarHBondContact O-N 3.09Å; D91-N94 PolarHBondContact O-N 3.18Å; D91-L95 VanDerWaalsContact O-CB 3.31Å; D91-L95 WeakPolarHBondContact O-CB 3.47Å; D91-L95 PolarHBondContact O-N 3.05Å
92	K	97.3	Very high	97.6	Very high	78 Å²	78	67.5 Å²	67.5	34%	0.339	37%	0.365	S	S	.	.	H	α-helix	trans	-56.5	-49.5	171.8	-175.4	-169.8	175.3	-58.9	0	111.5	Y38 I88 V90 N94 L95 D96	Y38-K92 HydrophobicContact CD1-CB 4.16Å; Y38-K92 HydrophobicContact CD1-CG 4.14Å; Y38-K92 HydrophobicContact CD2-CB 3.78Å; Y38-K92 HydrophobicContact CD2-CG 4.39Å; Y38-K92 HydrophobicContact CE1-CB 4.13Å; Y38-K92 HydrophobicContact CE1-CD 4.28Å; Y38-K92 HydrophobicContact CE1-CG 3.71Å; Y38-K92 HydrophobicContact CE2-CB 3.74Å; Y38-K92 HydrophobicContact CE2-CD 4.2Å; Y38-K92 HydrophobicContact CE2-CG 3.99Å; Y38-K92 HydrophobicContact CG-CB 4Å; Y38-K92 HydrophobicContact CG-CG 4.46Å; I88-K92 WeakPolarHBondContact O-CB 3.31Å; I88-K92 PolarHBondContact O-N 2.99Å; V90-K92 VanDerWaalsContact C-N 3.32Å; V90-K92 PolarHBondContact O-N 3Å; K92-N94 VanDerWaalsContact C-N 3.32Å; K92-N94 PolarHBondContact O-N 3Å; K92-L95 PolarHBondContact O-N 2.85Å; K92-D96 IonicContact NZ-OD2 2.83Å; K92-D96 PolarHBondContact NZ-OD2 3.22Å; K92-D96 PolarHBondContact O-N 2.81Å
93	A	97.6	Very high	97.6	Very high	48 Å²	48	68.3 Å²	68.3	40%	0.397	37%	0.373	S	S	.	.	H	α-helix	trans	-63.9	-39.3	-179.3	0	0	0	0	0	111.9	A89 V90 D91 D96 I97	A89-A93 PolarHBondContact O-N 2.74Å; V90-A93 WeakPolarHBondContact O-CB 3.44Å; V90-A93 PolarHBondContact O-N 2.68Å; V90-A93 VanDerWaalsContact O-N 3.08Å; D91-A93 PolarHBondContact O-N 3.09Å; A93-D96 PolarHBondContact O-N 2.77Å; A93-I97 WeakPolarHBondContact O-CG1 3.21Å; A93-I97 PolarHBondContact O-N 2.78Å
94	N	98.1	Very high	97.6	Very high	82 Å²	82	71.9 Å²	71.9	44%	0.439	38%	0.384	S	S	.	.	H	α-helix	trans	-64.7	-43.7	175.3	-73.1	-21.4	0	0	0	111.3	V90 D91 K92 D96 I97 M98	V90-N94 WeakPolarHBondContact O-CB 3.37Å; V90-N94 VanDerWaalsContact O-CG 3.29Å; V90-N94 PolarHBondContact O-N 3.15Å; V90-N94 PolarHBondContact O-ND2 2.87Å; D91-N94 PolarHBondContact O-N 3.18Å; K92-N94 VanDerWaalsContact C-N 3.32Å; K92-N94 PolarHBondContact O-N 3Å; N94-D96 PolarHBondContact O-N 3.07Å; N94-I97 WeakPolarHBondContact O-CB 3.46Å; N94-I97 PolarHBondContact O-N 3.06Å; N94-I97 VanDerWaalsContact O-N 3.16Å; N94-M98 WeakPolarHBondContact O-CB 3.33Å; N94-M98 VanDerWaalsContact O-CG 3.31Å; N94-M98 WeakPolarHBondContact O-CG 3.33Å; N94-M98 PolarHBondContact O-N 3.37Å
95	L	97.2	Very high	97.5	Very high	47 Å²	47	76.6 Å²	76.6	25%	0.246	41%	0.413	C	S	.	.	H	α-helix	trans	-59.7	-46.1	176.5	-178.4	66.3	0	0	0	111.2	Y38 D91 K92 I97 M98 I99	Y38-L95 HydrophobicContact CD1-CD2 3.77Å; Y38-L95 WeakPolarHBondContact O-CD2 3.5Å; D91-L95 VanDerWaalsContact O-CB 3.31Å; D91-L95 WeakPolarHBondContact O-CB 3.47Å; D91-L95 PolarHBondContact O-N 3.05Å; K92-L95 PolarHBondContact O-N 2.85Å; L95-I97 PolarHBondContact O-N 2.87Å; L95-M98 PolarHBondContact O-N 2.92Å; L95-M98 VanDerWaalsContact O-N 3.08Å; L95-I99 HydrophobicContact CD1-CD1 4.14Å; L95-I99 HydrophobicContact CD1-CG1 4.15Å; L95-I99 HydrophobicContact CD2-CD1 4.41Å; L95-I99 HydrophobicContact CG-CD1 3.84Å; L95-I99 HydrophobicContact CG-CG1 4.28Å; L95-I99 WeakPolarHBondContact O-CG1 3.48Å; L95-I99 PolarHBondContact O-N 2.85Å
96	D	96.4	Very high	97.3	Very high	62 Å²	62	80.4 Å²	80.4	33%	0.332	44%	0.439	S	S	.	.	H	α-helix	trans	-58.3	-34.2	177.3	-73.4	-28.9	0	0	0	112.1	K92 A93 N94 K100	K92-D96 IonicContact NZ-OD2 2.83Å; K92-D96 PolarHBondContact NZ-OD2 3.22Å; K92-D96 PolarHBondContact O-N 2.81Å; A93-D96 PolarHBondContact O-N 2.77Å; N94-D96 PolarHBondContact O-N 3.07Å; D96-K100 WeakPolarHBondContact O-CG 3.1Å
97	I	98.1	Very high	97	Very high	91 Å²	91	83 Å²	83	47%	0.467	45%	0.447	S	S	.	.	H	α-helix	trans	-74.6	-44.6	174.5	-67	166.3	0	0	0	111	A93 N94 L95 K100 R101	A93-I97 WeakPolarHBondContact O-CG1 3.21Å; A93-I97 PolarHBondContact O-N 2.78Å; N94-I97 WeakPolarHBondContact O-CB 3.46Å; N94-I97 PolarHBondContact O-N 3.06Å; N94-I97 VanDerWaalsContact O-N 3.16Å; L95-I97 PolarHBondContact O-N 2.87Å; I97-K100 PolarHBondContact O-N 2.79Å; I97-R101 WeakPolarHBondContact O-CB 3.43Å; I97-R101 PolarHBondContact O-N 3.1Å
98	M	97.8	Very high	96.8	Very high	95 Å²	95	83.5 Å²	83.5	47%	0.468	46%	0.458	S	S	.	.	H	α-helix	trans	-67.6	-36.8	-177	-73.2	-60.2	-69.5	0	0	112.6	N94 L95 K100 R101 S102	N94-M98 WeakPolarHBondContact O-CB 3.33Å; N94-M98 VanDerWaalsContact O-CG 3.31Å; N94-M98 WeakPolarHBondContact O-CG 3.33Å; N94-M98 PolarHBondContact O-N 3.37Å; L95-M98 PolarHBondContact O-N 2.92Å; L95-M98 VanDerWaalsContact O-N 3.08Å; M98-K100 VanDerWaalsContact C-N 3.34Å; M98-K100 PolarHBondContact O-N 2.75Å; M98-R101 PolarHBondContact O-N 3.12Å; M98-S102 WeakPolarHBondContact O-CB 3.39Å; M98-S102 PolarHBondContact O-N 3.15Å; M98-S102 PolarHBondContact O-OG 3.22Å
99	I	96.8	Very high	96.7	Very high	50 Å²	50	86.9 Å²	86.9	26%	0.256	48%	0.477	S	S	.	.	H	α-helix	trans	-58.2	-47.4	172	-71.6	170.7	0	0	0	110.1	L95 S102 N103 N104	L95-I99 HydrophobicContact CD1-CD1 4.14Å; L95-I99 HydrophobicContact CD1-CG1 4.15Å; L95-I99 HydrophobicContact CD2-CD1 4.41Å; L95-I99 HydrophobicContact CG-CD1 3.84Å; L95-I99 HydrophobicContact CG-CG1 4.28Å; L95-I99 WeakPolarHBondContact O-CG1 3.48Å; L95-I99 PolarHBondContact O-N 2.85Å; I99-S102 PolarHBondContact O-OG 3.18Å; I99-N103 PolarHBondContact O-N 3.45Å; I99-N104 HydrophobicContact CG2-CB 4.38Å; I99-N104 WeakPolarHBondContact CG2-OD1 3.45Å; I99-N104 WeakPolarHBondContact O-CA 3.21Å; I99-N104 PolarHBondContact O-N 2.94Å
100	K	97.5	Very high	96.8	Very high	161 Å²	161	86.6 Å²	86.6	70%	0.7	47%	0.468	S	S	*	.	H	α-helix	trans	-65.7	-42.9	177.9	-67.7	171.8	-173.9	170.1	0	111.9	D96 I97 M98 S102 N103	D96-K100 WeakPolarHBondContact O-CG 3.1Å; I97-K100 PolarHBondContact O-N 2.79Å; M98-K100 VanDerWaalsContact C-N 3.34Å; M98-K100 PolarHBondContact O-N 2.75Å; K100-S102 VanDerWaalsContact C-N 3.32Å; K100-S102 PolarHBondContact O-N 2.72Å; K100-N103 PolarHBondContact O-N 2.82Å; K100-N103 VanDerWaalsContact O-N 3.13Å
101	R	98.3	Very high	96.8	Very high	183 Å²	183	87.4 Å²	87.4	69%	0.691	47%	0.469	S	S	*	.	H	α-helix	trans	-63.8	-36.7	-179.1	-174.2	-177.3	-65.2	171.7	0.9	112.4	I97 M98 N103	I97-R101 WeakPolarHBondContact O-CB 3.43Å; I97-R101 PolarHBondContact O-N 3.1Å; M98-R101 PolarHBondContact O-N 3.12Å; R101-N103 PolarHBondContact O-N 2.8Å
102	S	97.9	Very high	96.8	Very high	48 Å²	48	86.3 Å²	86.3	34%	0.336	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	7.5	177.1	65.6	0	0	0	0	113.4	M98 I99 K100 N104 T105	M98-S102 WeakPolarHBondContact O-CB 3.39Å; M98-S102 PolarHBondContact O-N 3.15Å; M98-S102 PolarHBondContact O-OG 3.22Å; I99-S102 PolarHBondContact O-OG 3.18Å; K100-S102 VanDerWaalsContact C-N 3.32Å; K100-S102 PolarHBondContact O-N 2.72Å; S102-N104 VanDerWaalsContact C-N 3.26Å; S102-N104 PolarHBondContact O-N 2.8Å; S102-T105 WeakPolarHBondContact O-CB 3.15Å; S102-T105 PolarHBondContact O-N 3.35Å; S102-T105 PolarHBondContact O-OG1 2.97Å
103	N	97.6	Very high	96.9	Very high	134 Å²	134	87.5 Å²	87.5	72%	0.717	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	38.8	-173.8	-166.9	42.2	0	0	0	113.2	I99 K100 R101 T105	I99-N103 PolarHBondContact O-N 3.45Å; K100-N103 PolarHBondContact O-N 2.82Å; K100-N103 VanDerWaalsContact O-N 3.13Å; R101-N103 PolarHBondContact O-N 2.8Å; N103-T105 VanDerWaalsContact C-N 3.31Å; N103-T105 PolarHBondContact O-N 3.18Å
104	N	95.8	Very high	96.9	Very high	109 Å²	109	85.6 Å²	85.6	58%	0.583	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	35.9	-178.2	-45.2	-87.8	0	0	0	113.3	I99 S102 P106	I99-N104 HydrophobicContact CG2-CB 4.38Å; I99-N104 WeakPolarHBondContact CG2-OD1 3.45Å; I99-N104 WeakPolarHBondContact O-CA 3.21Å; I99-N104 PolarHBondContact O-N 2.94Å; S102-N104 VanDerWaalsContact C-N 3.26Å; S102-N104 PolarHBondContact O-N 2.8Å; N104-P106 WeakPolarHBondContact O-CD 3.48Å
105	T	97	Very high	96.9	Very high	100 Å²	100	85.3 Å²	85.3	61%	0.613	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-69.1	121.4	172.1	-58.5	0	0	0	0	108.5	S102 N103	S102-T105 WeakPolarHBondContact O-CB 3.15Å; S102-T105 PolarHBondContact O-N 3.35Å; S102-T105 PolarHBondContact O-OG1 2.97Å; N103-T105 VanDerWaalsContact C-N 3.31Å; N103-T105 PolarHBondContact O-N 3.18Å
106	P	92.9	Very high	97	Very high	112 Å²	112	84.2 Å²	84.2	73%	0.727	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-73.6	160.3	178.8	31.7	-35.3	0	0	0	111.4	N104	N104-P106 WeakPolarHBondContact O-CD 3.48Å
107	D	91.3	Very high	97.1	Very high	104 Å²	104	84.7 Å²	84.7	56%	0.556	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-66	151.6	168.8	-168	29.4	0	0	0	110.8	S138	D107-S138 PolarHBondContact OD2-OG 3.2Å
108	A	94.2	Very high	97.1	Very high	66 Å²	66	82.1 Å²	82.1	55%	0.545	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-88	127.7	178.1	0	0	0	0	0	110.3	V110	A108-V110 PolarHBondContact O-N 3.26Å
109	N	97.1	Very high	97.1	Very high	83 Å²	83	84.2 Å²	84.2	44%	0.444	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-68.9	125.3	174.2	-66.3	-19.3	0	0	0	110.2	S138 P139 W193	N109-S138 CarbonylContact C-O 3.51Å; N109-S138 WeakPolarHBondContact CA-O 3.04Å; N109-P139 VanDerWaalsContact OD1-CD 3.29Å; N109-P139 WeakPolarHBondContact OD1-CD 3.39Å; N109-W193 PolarHBondContact ND2-O 2.8Å
110	V	98.2	Very high	97.1	Very high	55 Å²	55	84.6 Å²	84.6	33%	0.333	46%	0.455	S	S	.	.	B	Isolated β-bridge	trans	-115.8	118.9	170.5	-173.8	0	0	0	0	107.6	A108 K136 F137 S138 L169 H192	A108-V110 PolarHBondContact O-N 3.26Å; V110-K136 VanDerWaalsContact CG1-O 3.3Å; V110-K136 WeakPolarHBondContact CG1-O 3.43Å; V110-F137 VanDerWaalsContact O-CA 3.29Å; V110-F137 WeakPolarHBondContact O-CA 3.42Å; V110-F137 WeakPolarHBondContact O-CB 3.29Å; V110-S138 PolarHBondContact N-O 2.85Å; V110-S138 PolarHBondContact O-N 3.29Å; V110-L169 HydrophobicContact CB-CD2 4.19Å; V110-L169 HydrophobicContact CG1-CD1 4.34Å; V110-L169 HydrophobicContact CG1-CD2 4.36Å; V110-L169 HydrophobicContact CG2-CD2 4.03Å; V110-H192 PolarHBondContact O-CE1 2.86Å
111	I	97.9	Very high	97	Very high	97 Å²	97	82.4 Å²	82.4	50%	0.497	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-69.2	142.9	-176	59.2	174.7	0	0	0	111.8	G194 L195	I111-G194 VanDerWaalsContact CG2-C 3.49Å; I111-G194 WeakPolarHBondContact CG2-O 3.31Å; I111-L195 HydrophobicContact CB-CD2 4.11Å; I111-L195 HydrophobicContact CG2-CD2 3.95Å; I111-L195 HydrophobicContact CG2-CG 4.38Å
112	P	98.3	Very high	96.9	Very high	8 Å²	8	75 Å²	75	5%	0.052	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-73.3	143.1	-179.7	27.2	-33.1	0	0	0	113.4	V114 I134 D135 F137 V190 H192 L195	P112-V114 HydrophobicContact CB-CG2 4.2Å; P112-V114 HydrophobicContact CG-CG2 4.45Å; P112-I134 HydrophobicContact CB-CG2 3.55Å; P112-I134 HydrophobicContact CG-CG2 4.44Å; P112-D135 WeakPolarHBondContact CA-O 3.36Å; P112-F137 HydrophobicContact CB-CB 3.81Å; P112-F137 HydrophobicContact CB-CD1 4.22Å; P112-F137 HydrophobicContact CB-CG 4.21Å; P112-V190 HydrophobicContact CG-CG1 4.12Å; P112-H192 HydrophobicContact CG-CB 4.09Å; P112-L195 HydrophobicContact CG-CD1 4.23Å
113	E	98.4	Very high	96.6	Very high	103 Å²	103	76.8 Å²	76.8	48%	0.481	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	130	157.7	-69.5	179	-164.2	0	0	108.8	I134 D135 K136	E113-I134 WeakPolarHBondContact O-CA 3.41Å; E113-D135 PolarHBondContact N-O 3.26Å; E113-D135 PolarHBondContact O-N 3.44Å; E113-K136 IonicContact OE1-NZ 3.81Å; E113-K136 PolarHBondContact OE1-NZ 3.28Å; E113-K136 IonicContact OE2-NZ 3.38Å; E113-K136 PolarHBondContact OE2-NZ 3.22Å
114	V	98.7	Very high	96.5	Very high	8 Å²	8	74.8 Å²	74.8	5%	0.048	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	130.6	-177.3	-173.3	0	0	0	0	110.8	P112 C132 F133 I134 V190 L199 K201	P112-V114 HydrophobicContact CB-CG2 4.2Å; P112-V114 HydrophobicContact CG-CG2 4.45Å; V114-C132 WeakPolarHBondContact CG1-SG 3.26Å; V114-F133 WeakPolarHBondContact CA-O 3.32Å; V114-I134 HydrophobicContact CG1-CG1 4.43Å; V114-I134 HydrophobicContact CG2-CG1 4.35Å; V114-I134 HydrophobicContact CG2-CG2 4.28Å; V114-V190 HydrophobicContact CG1-CG2 3.95Å; V114-V190 HydrophobicContact CG2-CB 4.1Å; V114-V190 HydrophobicContact CG2-CG1 4.25Å; V114-V190 HydrophobicContact CG2-CG2 3.87Å; V114-L199 HydrophobicContact CB-CD2 3.85Å; V114-L199 HydrophobicContact CG2-CD2 3.61Å; V114-K201 HydrophobicContact CB-CG 3.71Å; V114-K201 HydrophobicContact CG1-CB 4.18Å; V114-K201 HydrophobicContact CG1-CG 3.57Å; V114-K201 WeakPolarHBondContact O-CD 3.27Å; V114-K201 WeakPolarHBondContact O-CE 3.21Å
115	T	98.6	Very high	96.2	Very high	76 Å²	76	72.1 Å²	72.1	47%	0.466	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	136.6	176.7	-54.8	0	0	0	0	109.8	L117 C132 F133	T115-L117 HydrophobicContact CG2-CD2 4Å; T115-C132 WeakPolarHBondContact O-CA 3.38Å; T115-F133 PolarHBondContact N-O 2.75Å; T115-F133 PolarHBondContact O-N 2.76Å
116	V	98.6	Very high	96.2	Very high	24 Å²	24	72.5 Å²	72.5	15%	0.145	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	128.5	173.6	177.5	0	0	0	0	109.3	L130 I131 C132 W146 C188 K201 W203	V116-L130 HydrophobicContact CG1-CD2 4.28Å; V116-I131 VanDerWaalsContact CA-O 3.31Å; V116-I131 WeakPolarHBondContact CA-O 3.49Å; V116-C132 HydrophobicContact CG2-CB 4.33Å; V116-W146 HydrophobicContact CG1-CH2 3.99Å; V116-W146 HydrophobicContact CG1-CZ3 4.23Å; V116-W146 HydrophobicContact CG2-CH2 4.39Å; V116-C188 HydrophobicContact CG2-CB 3.55Å; V116-K201 HydrophobicContact CB-CB 4.49Å; V116-K201 HydrophobicContact CG2-CB 3.6Å; V116-W203 HydrophobicContact CB-CB 4.44Å; V116-W203 HydrophobicContact CG1-CB 3.65Å; V116-W203 HydrophobicContact CG1-CG 4.09Å
117	L	97.9	Very high	96.4	Very high	71 Å²	71	72.8 Å²	72.8	37%	0.372	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	149.7	178.7	60.7	120.8	0	0	0	111.9	T115 I131	T115-L117 HydrophobicContact CG2-CD2 4Å; L117-I131 HydrophobicContact CD1-CD1 4.19Å; L117-I131 HydrophobicContact CG-CB 4.29Å; L117-I131 PolarHBondContact N-O 3.41Å; L117-I131 PolarHBondContact O-N 3.29Å
118	P	97.9	Very high	96.7	Very high	38 Å²	38	68.6 Å²	68.6	25%	0.247	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	145.6	170.7	33.5	-34.6	0	0	0	110.5	S120 V122 I129 L130	P118-S120 VanDerWaalsContact C-N 3.27Å; P118-S120 PolarHBondContact O-N 2.89Å; P118-V122 HydrophobicContact CB-CG2 3.59Å; P118-V122 HydrophobicContact CG-CG2 3.69Å; P118-I129 CarbonylContact C-O 3.57Å; P118-I129 WeakPolarHBondContact CA-O 3.27Å; P118-L130 HydrophobicContact CB-CD2 4.4Å
119	K	97.8	Very high	96.9	Very high	138 Å²	138	67.9 Å²	67.9	60%	0.6	39%	0.386	S	S	*	.	S	Bend	trans	-59.9	-37.4	177.1	178	179.6	173.4	68.2	0	112.7	I129 I131	K119-I129 HydrophobicContact CB-CB 4.04Å; K119-I129 HydrophobicContact CD-CB 4.38Å; K119-I129 HydrophobicContact CD-CD1 3.97Å; K119-I129 PolarHBondContact N-O 3.24Å; K119-I131 HydrophobicContact CB-CD1 4.01Å; K119-I131 HydrophobicContact CB-CG1 4.48Å
120	S	96.8	Very high	97	Very high	58 Å²	58	64 Å²	64	41%	0.406	37%	0.365	S	S	.	.	S	Bend	trans	-135.8	161.6	-177.1	-62.7	0	0	0	0	110.3	P118 V122 N128	P118-S120 VanDerWaalsContact C-N 3.27Å; P118-S120 PolarHBondContact O-N 2.89Å; S120-V122 PolarHBondContact O-N 2.91Å; S120-N128 PolarHBondContact N-OD1 3.4Å; S120-N128 PolarHBondContact O-ND2 2.86Å
121	P	95.6	Very high	97	Very high	115 Å²	115	62.5 Å²	62.5	75%	0.747	36%	0.355	S	S	*	.			trans	-47.7	135.9	169.6	-27.5	35.5	0	0	0	111.6
122	V	95.4	Very high	97.1	Very high	29 Å²	29	57.9 Å²	57.9	18%	0.176	33%	0.332	C	S	.	.			trans	-88.5	121	-168.7	180	0	0	0	0	110.1	P118 S120 P180 W203 F205	P118-V122 HydrophobicContact CB-CG2 3.59Å; P118-V122 HydrophobicContact CG-CG2 3.69Å; S120-V122 PolarHBondContact O-N 2.91Å; V122-P180 HydrophobicContact CG1-CB 3.46Å; V122-P180 VanDerWaalsContact CG1-CB 3.46Å; V122-P180 HydrophobicContact CG1-CG 3.63Å; V122-W203 HydrophobicContact CG1-CH2 4.39Å; V122-W203 HydrophobicContact CG1-CZ2 4.49Å; V122-W203 HydrophobicContact CG2-CH2 4.48Å; V122-W203 HydrophobicContact CG2-CZ2 3.86Å; V122-F205 HydrophobicContact CB-CD2 4.09Å; V122-F205 HydrophobicContact CB-CE2 4.14Å; V122-F205 HydrophobicContact CG1-CD2 3.53Å; V122-F205 HydrophobicContact CG1-CE2 3.83Å
123	N	93.4	Very high	97.1	Very high	85 Å²	85	59.6 Å²	59.6	46%	0.455	34%	0.338	S	S	.	.			trans	-113.4	132.7	169.8	-64.2	-36.4	0	0	0	108.9	G125 E126	N123-G125 PolarHBondContact O-N 3.46Å; N123-E126 HydrophobicContact CB-CB 4.06Å; N123-E126 HydrophobicContact CB-CG 3.97Å; N123-E126 VanDerWaalsContact CB-OE2 3.31Å; N123-E126 WeakPolarHBondContact CB-OE2 3.11Å; N123-E126 PolarHBondContact ND2-OE2 2.77Å; N123-E126 PolarHBondContact O-N 2.91Å
124	L	93.7	Very high	97.1	Very high	92 Å²	92	54.7 Å²	54.7	48%	0.482	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	134	179.4	-64.9	176.2	0	0	0	110.7	E126 P180 V182 F205	L124-E126 PolarHBondContact O-N 2.81Å; L124-P180 HydrophobicContact CD2-CB 4.46Å; L124-V182 HydrophobicContact CD1-CG1 3.77Å; L124-V182 HydrophobicContact CD2-CG1 3.88Å; L124-V182 HydrophobicContact CG-CG1 4.49Å; L124-F205 HydrophobicContact CD1-CE1 4.3Å; L124-F205 HydrophobicContact CD2-CD1 3.99Å; L124-F205 HydrophobicContact CD2-CD2 4.42Å; L124-F205 HydrophobicContact CD2-CE1 4.02Å; L124-F205 HydrophobicContact CD2-CE2 4.45Å; L124-F205 HydrophobicContact CD2-CG 4.17Å; L124-F205 HydrophobicContact CD2-CZ 4.24Å; L124-F205 HydrophobicContact CG-CE1 4.24Å; L124-F205 HydrophobicContact CG-CZ 4.24Å
125	G	90.4	Very high	97.1	Very high	52 Å²	52	55.1 Å²	55.1	54%	0.536	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	2.9	179.8	0	0	0	0	0	115.8	N123 L179 P180	N123-G125 PolarHBondContact O-N 3.46Å; G125-L179 VanDerWaalsContact C-CD1 3.41Å; G125-L179 VanDerWaalsContact O-CD1 3.29Å; G125-L179 WeakPolarHBondContact O-CD1 3.47Å; G125-P180 PolarHBondContact N-O 2.86Å
126	E	96.1	Very high	97.1	Very high	109 Å²	109	54.8 Å²	54.8	51%	0.509	31%	0.309	S	S	.	.	S	Bend	trans	-102.2	129.5	171.8	-65.8	-173.4	174.9	0	0	110.8	N123 L124 N128 P180	N123-E126 HydrophobicContact CB-CB 4.06Å; N123-E126 HydrophobicContact CB-CG 3.97Å; N123-E126 VanDerWaalsContact CB-OE2 3.31Å; N123-E126 WeakPolarHBondContact CB-OE2 3.11Å; N123-E126 PolarHBondContact ND2-OE2 2.77Å; N123-E126 PolarHBondContact O-N 2.91Å; L124-E126 PolarHBondContact O-N 2.81Å; E126-N128 PolarHBondContact O-N 2.96Å; E126-P180 WeakPolarHBondContact O-CD 3.09Å
127	P	97.9	Very high	97.1	Very high	118 Å²	118	53.6 Å²	53.6	77%	0.766	30%	0.302	S	S	*	.			trans	-56.2	136.4	-179.9	-26.2	34.4	0	0	0	113	L179	P127-L179 HydrophobicContact CG-CD1 4.3Å
128	N	98.1	Very high	97	Very high	16 Å²	16	50.7 Å²	50.7	9%	0.086	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	177.4	178.2	-157.2	-19.8	0	0	0	110	S120 E126 F178 P180	S120-N128 PolarHBondContact N-OD1 3.4Å; S120-N128 PolarHBondContact O-ND2 2.86Å; E126-N128 PolarHBondContact O-N 2.96Å; N128-F178 HydrophobicContact CB-CD1 4.25Å; N128-F178 HydrophobicContact CB-CE1 3.63Å; N128-F178 HydrophobicContact CB-CZ 4.19Å; N128-F178 PolarHBondContact N-O 2.94Å; N128-F178 WeakPolarHBondContact O-CD1 3.34Å; N128-F178 PolarHBondContact O-N 3.45Å; N128-P180 HydrophobicContact CB-CG 4.22Å
129	I	98.6	Very high	97	Very high	51 Å²	51	49 Å²	49	26%	0.262	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	125	179.6	-62.6	171.3	0	0	0	108.2	P118 K119 I131 Y175 L176 T177	P118-I129 CarbonylContact C-O 3.57Å; P118-I129 WeakPolarHBondContact CA-O 3.27Å; K119-I129 HydrophobicContact CB-CB 4.04Å; K119-I129 HydrophobicContact CD-CB 4.38Å; K119-I129 HydrophobicContact CD-CD1 3.97Å; K119-I129 PolarHBondContact N-O 3.24Å; I129-I131 HydrophobicContact CG2-CG1 4.31Å; I129-Y175 HydrophobicContact CG2-CD1 4.12Å; I129-L176 CarbonylContact C-O 3.55Å; I129-L176 WeakPolarHBondContact CA-O 3.33Å; I129-T177 HydrophobicContact CG1-CG2 4.2Å
130	L	98.6	Very high	96.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	135.8	162.8	-72.7	172.6	0	0	0	109.2	V116 P118 W146 Y175 L176 F178 Y186 W203	V116-L130 HydrophobicContact CG1-CD2 4.28Å; P118-L130 HydrophobicContact CB-CD2 4.4Å; L130-W146 HydrophobicContact CB-CH2 3.65Å; L130-W146 HydrophobicContact CB-CZ2 4.19Å; L130-W146 HydrophobicContact CB-CZ3 4.1Å; L130-W146 HydrophobicContact CD1-CZ3 4.18Å; L130-Y175 CarbonylContact O-C 3.57Å; L130-Y175 WeakPolarHBondContact O-CA 3.27Å; L130-L176 HydrophobicContact CB-CB 4.45Å; L130-L176 PolarHBondContact N-O 2.98Å; L130-L176 PolarHBondContact O-N 3.4Å; L130-F178 HydrophobicContact CB-CE1 4.49Å; L130-F178 HydrophobicContact CD1-CD1 4.4Å; L130-F178 HydrophobicContact CD1-CE1 4.4Å; L130-F178 HydrophobicContact CD1-CG 4.47Å; L130-F178 HydrophobicContact CD1-CZ 4.45Å; L130-F178 HydrophobicContact CD2-CE1 4.07Å; L130-F178 HydrophobicContact CD2-CZ 4.08Å; L130-F178 HydrophobicContact CG-CD1 3.85Å; L130-F178 HydrophobicContact CG-CE1 3.6Å; L130-F178 HydrophobicContact CG-CE2 4.47Å; L130-F178 HydrophobicContact CG-CG 4.4Å; L130-F178 HydrophobicContact CG-CZ 3.93Å; L130-Y186 HydrophobicContact CD1-CD1 4.06Å; L130-Y186 HydrophobicContact CD1-CD2 3.94Å; L130-Y186 HydrophobicContact CD1-CG 3.59Å; L130-W203 HydrophobicContact CD1-CD2 4.13Å; L130-W203 HydrophobicContact CD1-CE3 3.74Å; L130-W203 HydrophobicContact CD1-CZ3 4.27Å; L130-W203 HydrophobicContact CD2-CD2 3.43Å; L130-W203 VanDerWaalsContact CD2-CD2 3.43Å; L130-W203 HydrophobicContact CD2-CE3 3.8Å; L130-W203 HydrophobicContact CD2-CG 3.74Å; L130-W203 HydrophobicContact CD2-CH2 4.46Å; L130-W203 HydrophobicContact CD2-CZ2 4.13Å; L130-W203 HydrophobicContact CD2-CZ3 4.31Å; L130-W203 HydrophobicContact CG-CD2 4.41Å; L130-W203 HydrophobicContact CG-CE3 4.35Å
131	I	98.9	Very high	96.8	Very high	25 Å²	25	41.2 Å²	41.2	13%	0.128	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	119.1	178.7	-53	172.2	0	0	0	106.6	V116 L117 K119 I129 F173 H174 Y175	V116-I131 VanDerWaalsContact CA-O 3.31Å; V116-I131 WeakPolarHBondContact CA-O 3.49Å; L117-I131 HydrophobicContact CD1-CD1 4.19Å; L117-I131 HydrophobicContact CG-CB 4.29Å; L117-I131 PolarHBondContact N-O 3.41Å; L117-I131 PolarHBondContact O-N 3.29Å; K119-I131 HydrophobicContact CB-CD1 4.01Å; K119-I131 HydrophobicContact CB-CG1 4.48Å; I129-I131 HydrophobicContact CG2-CG1 4.31Å; I131-F173 HydrophobicContact CG2-CD1 3.77Å; I131-F173 HydrophobicContact CG2-CE1 4.47Å; I131-H174 CarbonylContact C-O 3.57Å; I131-H174 WeakPolarHBondContact CA-O 3.49Å; I131-Y175 HydrophobicContact CB-CD1 4.45Å; I131-Y175 HydrophobicContact CG1-CD1 3.99Å; I131-Y175 HydrophobicContact CG1-CE1 4.19Å; I131-Y175 HydrophobicContact CG2-CD1 4.23Å; I131-Y175 HydrophobicContact CG2-CE1 4Å
132	C	98.9	Very high	96.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	107	165.6	-173.9	0	0	0	0	108	V114 T115 V116 W146 H174 C188	V114-C132 WeakPolarHBondContact CG1-SG 3.26Å; T115-C132 WeakPolarHBondContact O-CA 3.38Å; V116-C132 HydrophobicContact CG2-CB 4.33Å; C132-W146 HydrophobicContact CB-CH2 3.74Å; C132-W146 HydrophobicContact CB-CZ2 3.45Å; C132-W146 VanDerWaalsContact CB-CZ2 3.45Å; C132-H174 HydrophobicContact CB-CB 4.04Å; C132-H174 PolarHBondContact N-O 2.99Å; C132-H174 PolarHBondContact O-N 3.32Å; C132-C188 HydrophobicContact CB-CB 3.64Å; C132-C188 WeakPolarHBondContact CB-SG 3.33Å; C132-C188 WeakPolarHBondContact SG-CB 3.48Å; C132-C188 CovalentContact SG-SG 2.03Å; C132-C188 PolarHBondContact SG-SG 2.81Å
133	F	98.8	Very high	96.9	Very high	43 Å²	43	40.5 Å²	40.5	19%	0.189	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	120.4	176.9	176.8	-130.8	0	0	0	109.4	V114 T115 D135 R171 F173	V114-F133 WeakPolarHBondContact CA-O 3.32Å; T115-F133 PolarHBondContact N-O 2.75Å; T115-F133 PolarHBondContact O-N 2.76Å; F133-D135 HydrophobicContact CD1-CB 4.4Å; F133-D135 HydrophobicContact CE1-CB 3.71Å; F133-D135 HydrophobicContact CE2-CB 4.15Å; F133-D135 HydrophobicContact CZ-CB 3.56Å; F133-R171 HydrophobicContact CE2-CB 4.11Å; F133-R171 HydrophobicContact CE2-CG 3.85Å; F133-R171 HydrophobicContact CZ-CG 3.99Å; F133-F173 HydrophobicContact CB-CD1 4.16Å; F133-F173 HydrophobicContact CB-CE1 4.07Å; F133-F173 AromaticContact CD2-CD1 3.7Å; F133-F173 HydrophobicContact CD2-CD1 3.7Å; F133-F173 HydrophobicContact CD2-CD2 4.45Å; F133-F173 AromaticContact CD2-CE1 3.24Å; F133-F173 HydrophobicContact CD2-CE1 3.24Å; F133-F173 HydrophobicContact CD2-CE2 4.08Å; F133-F173 HydrophobicContact CD2-CG 4.29Å; F133-F173 AromaticContact CD2-CZ 3.47Å; F133-F173 HydrophobicContact CD2-CZ 3.47Å; F133-F173 VanDerWaalsContact CD2-CZ 3.47Å; F133-F173 AromaticContact CE2-CE1 3.84Å; F133-F173 HydrophobicContact CE2-CE1 3.84Å; F133-F173 HydrophobicContact CE2-CE2 4.04Å; F133-F173 AromaticContact CE2-CZ 3.54Å; F133-F173 HydrophobicContact CE2-CZ 3.54Å; F133-F173 HydrophobicContact CG-CD1 4.28Å; F133-F173 AromaticContact CG-CE1 3.81Å; F133-F173 HydrophobicContact CG-CE1 3.81Å; F133-F173 HydrophobicContact CG-CZ 4.36Å; F133-F173 HydrophobicContact CZ-CZ 4.48Å
134	I	98.8	Very high	97.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	118.4	-177.7	-52	167.8	0	0	0	106.5	P112 E113 V114 F137 V144 R171 K172 V190	P112-I134 HydrophobicContact CB-CG2 3.55Å; P112-I134 HydrophobicContact CG-CG2 4.44Å; E113-I134 WeakPolarHBondContact O-CA 3.41Å; V114-I134 HydrophobicContact CG1-CG1 4.43Å; V114-I134 HydrophobicContact CG2-CG1 4.35Å; V114-I134 HydrophobicContact CG2-CG2 4.28Å; I134-F137 HydrophobicContact CB-CE1 4.24Å; I134-F137 HydrophobicContact CG2-CD1 3.73Å; I134-F137 HydrophobicContact CG2-CE1 3.63Å; I134-F137 HydrophobicContact CG2-CZ 4.38Å; I134-V144 HydrophobicContact CD1-CB 4.45Å; I134-V144 HydrophobicContact CD1-CG1 4.25Å; I134-V144 HydrophobicContact CD1-CG2 3.35Å; I134-R171 CarbonylContact O-C 3.57Å; I134-R171 WeakPolarHBondContact O-CA 2.89Å; I134-K172 HydrophobicContact CB-CB 4.5Å; I134-K172 PolarHBondContact N-O 2.88Å; I134-K172 PolarHBondContact O-N 3.2Å; I134-V190 HydrophobicContact CD1-CG1 4.21Å; I134-V190 HydrophobicContact CD1-CG2 3.84Å; I134-V190 HydrophobicContact CG1-CG2 4.09Å; I134-V190 HydrophobicContact CG2-CG1 4.32Å
135	D	98.5	Very high	97.4	Very high	18 Å²	18	35.7 Å²	35.7	10%	0.096	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	158.4	-170.1	-163.4	12.2	0	0	0	111.8	P112 E113 F133 F137 R165 R171	P112-D135 WeakPolarHBondContact CA-O 3.36Å; E113-D135 PolarHBondContact N-O 3.26Å; E113-D135 PolarHBondContact O-N 3.44Å; F133-D135 HydrophobicContact CD1-CB 4.4Å; F133-D135 HydrophobicContact CE1-CB 3.71Å; F133-D135 HydrophobicContact CE2-CB 4.15Å; F133-D135 HydrophobicContact CZ-CB 3.56Å; D135-F137 PolarHBondContact O-N 2.83Å; D135-R165 VanDerWaalsContact CG-NH1 3.34Å; D135-R165 WeakPolarHBondContact OD1-CD 3.4Å; D135-R165 IonicContact OD1-CZ 2.72Å; D135-R165 IonicContact OD1-NE 3.59Å; D135-R165 IonicContact OD1-NH1 2.8Å; D135-R165 PolarHBondContact OD1-NH1 3.09Å; D135-R165 IonicContact OD2-NH1 3.86Å; D135-R165 PolarHBondContact OD2-NH1 3.34Å; D135-R165 VanDerWaalsContact OD2-NH1 3.15Å; D135-R171 HydrophobicContact CB-CG 4.44Å; D135-R171 WeakPolarHBondContact OD1-CG 3.29Å
136	K	97.9	Very high	97.8	Very high	68 Å²	68	33.3 Å²	33.3	30%	0.296	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	55	45.2	171.1	-53.7	178.5	-166.8	149.3	0	114.9	V110 E113 L169 F170	V110-K136 VanDerWaalsContact CG1-O 3.3Å; V110-K136 WeakPolarHBondContact CG1-O 3.43Å; E113-K136 IonicContact OE1-NZ 3.81Å; E113-K136 PolarHBondContact OE1-NZ 3.28Å; E113-K136 IonicContact OE2-NZ 3.38Å; E113-K136 PolarHBondContact OE2-NZ 3.22Å; K136-L169 HydrophobicContact CB-CD1 3.92Å; K136-F170 PolarHBondContact N-O 3.11Å; K136-F170 VanDerWaalsContact N-O 3.11Å
137	F	98.3	Very high	97.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	156.2	177.3	65.9	-81.9	0	0	0	112.9	V110 P112 I134 D135 P139 V142 F162 F170 K172	V110-F137 VanDerWaalsContact O-CA 3.29Å; V110-F137 WeakPolarHBondContact O-CA 3.42Å; V110-F137 WeakPolarHBondContact O-CB 3.29Å; P112-F137 HydrophobicContact CB-CB 3.81Å; P112-F137 HydrophobicContact CB-CD1 4.22Å; P112-F137 HydrophobicContact CB-CG 4.21Å; I134-F137 HydrophobicContact CB-CE1 4.24Å; I134-F137 HydrophobicContact CG2-CD1 3.73Å; I134-F137 HydrophobicContact CG2-CE1 3.63Å; I134-F137 HydrophobicContact CG2-CZ 4.38Å; D135-F137 PolarHBondContact O-N 2.83Å; F137-P139 WeakPolarHBondContact CD2-O 2.98Å; F137-V142 HydrophobicContact CD2-CG1 3.68Å; F137-V142 HydrophobicContact CE2-CG1 3.46Å; F137-V142 VanDerWaalsContact CE2-CG1 3.46Å; F137-V142 HydrophobicContact CE2-CG2 4.4Å; F137-V142 HydrophobicContact CG-CG1 4.39Å; F137-V142 HydrophobicContact CZ-CG1 4.01Å; F137-V142 HydrophobicContact CZ-CG2 4.39Å; F137-F162 AromaticContact CE2-CD1 3.79Å; F137-F162 HydrophobicContact CE2-CD1 3.79Å; F137-F162 AromaticContact CE2-CE1 3.67Å; F137-F162 HydrophobicContact CE2-CE1 3.67Å; F137-F162 AromaticContact CZ-CD1 3.64Å; F137-F162 HydrophobicContact CZ-CD1 3.64Å; F137-F162 AromaticContact CZ-CE1 3.78Å; F137-F162 HydrophobicContact CZ-CE1 3.78Å; F137-F170 HydrophobicContact CD1-CB 4.41Å; F137-F170 VanDerWaalsContact CD1-O 3.27Å; F137-F170 WeakPolarHBondContact CD1-O 3.49Å; F137-F170 HydrophobicContact CD2-CB 4.34Å; F137-F170 HydrophobicContact CE1-CB 4Å; F137-F170 WeakPolarHBondContact CE1-O 3.32Å; F137-F170 HydrophobicContact CE2-CB 3.93Å; F137-F170 HydrophobicContact CZ-CB 3.75Å; F137-F170 WeakPolarHBondContact O-CD2 3.37Å; F137-F170 PolarHBondContact O-N 2.67Å; F137-K172 HydrophobicContact CE1-CB 4.33Å; F137-K172 HydrophobicContact CZ-CB 4.14Å
138	S	97.1	Very high	97.9	Very high	9 Å²	9	27.9 Å²	27.9	6%	0.063	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-152.7	145.6	168.2	-165.3	0	0	0	0	108.4	D107 N109 V110 H192	D107-S138 PolarHBondContact OD2-OG 3.2Å; N109-S138 CarbonylContact C-O 3.51Å; N109-S138 WeakPolarHBondContact CA-O 3.04Å; V110-S138 PolarHBondContact N-O 2.85Å; V110-S138 PolarHBondContact O-N 3.29Å; S138-H192 PolarHBondContact O-CE1 3.36Å; S138-H192 PolarHBondContact O-NE2 3.16Å
139	P	96.5	Very high	97.9	Very high	4 Å²	4	30 Å²	30	3%	0.026	15%	0.154	C	C	.	.	S	Bend	cis	-71.2	170.3	-4.9	27.8	-32.4	0	0	0	112.8	L39 N109 F137 A141 H192 W193	L39-P139 HydrophobicContact CD1-CB 4.12Å; N109-P139 VanDerWaalsContact OD1-CD 3.29Å; N109-P139 WeakPolarHBondContact OD1-CD 3.39Å; F137-P139 WeakPolarHBondContact CD2-O 2.98Å; P139-A141 PolarHBondContact O-N 2.92Å; P139-H192 PolarHBondContact O-NE2 3.11Å; P139-W193 HydrophobicContact CB-CE3 4.49Å; P139-W193 HydrophobicContact CB-CZ3 4.19Å; P139-W193 HydrophobicContact CG-CD2 4.18Å; P139-W193 HydrophobicContact CG-CE3 3.2Å; P139-W193 HydrophobicContact CG-CH2 4.29Å; P139-W193 HydrophobicContact CG-CZ3 3.27Å
140	P	96.3	Very high	97.9	Very high	13 Å²	13	29.1 Å²	29.1	8%	0.084	16%	0.158	C	C	.	.	S	Bend	trans	-75	63.3	177.9	32.2	-34.6	0	0	0	111.3	F37 F162 F170	F37-P140 HydrophobicContact CD1-CG 4.31Å; F37-P140 HydrophobicContact CD2-CG 3.78Å; F37-P140 HydrophobicContact CE1-CB 4.08Å; F37-P140 HydrophobicContact CE1-CG 4.01Å; F37-P140 HydrophobicContact CE2-CB 4.17Å; F37-P140 HydrophobicContact CE2-CG 3.48Å; F37-P140 VanDerWaalsContact CE2-CG 3.48Å; F37-P140 HydrophobicContact CG-CG 4.2Å; F37-P140 HydrophobicContact CZ-CB 3.78Å; F37-P140 HydrophobicContact CZ-CG 3.6Å; P140-F162 VanDerWaalsContact C-CE1 3.49Å; P140-F162 VanDerWaalsContact C-CZ 3.45Å; P140-F162 HydrophobicContact CB-CB 4.13Å; P140-F162 HydrophobicContact CB-CD1 3.67Å; P140-F162 HydrophobicContact CB-CD2 4Å; P140-F162 HydrophobicContact CB-CE1 4.02Å; P140-F162 HydrophobicContact CB-CE2 4.32Å; P140-F162 HydrophobicContact CB-CG 3.67Å; P140-F162 HydrophobicContact CB-CZ 4.34Å; P140-F162 VanDerWaalsContact O-CE2 3.29Å; P140-F162 WeakPolarHBondContact O-CE2 3.48Å; P140-F162 WeakPolarHBondContact O-CZ 3.35Å; P140-F170 HydrophobicContact CB-CD1 3.88Å; P140-F170 HydrophobicContact CB-CD2 3.8Å; P140-F170 HydrophobicContact CB-CE1 3.86Å; P140-F170 HydrophobicContact CB-CE2 3.84Å; P140-F170 HydrophobicContact CB-CG 3.83Å; P140-F170 HydrophobicContact CB-CZ 3.85Å; P140-F170 VanDerWaalsContact CD-CE2 3.48Å; P140-F170 HydrophobicContact CG-CD2 4.23Å; P140-F170 HydrophobicContact CG-CE1 4.05Å; P140-F170 HydrophobicContact CG-CE2 3.75Å; P140-F170 HydrophobicContact CG-CZ 3.63Å
141	A	94.6	Very high	97.9	Very high	19 Å²	19	35.4 Å²	35.4	16%	0.157	19%	0.187	C	C	.	.			trans	-140.5	96.4	-179.3	0	0	0	0	0	109.4	L39 P139 H192 W193	L39-A141 HydrophobicContact CD2-CB 4.25Å; P139-A141 PolarHBondContact O-N 2.92Å; A141-H192 PolarHBondContact O-CD2 3.23Å; A141-H192 VanDerWaalsContact O-CD2 3.23Å; A141-W193 HydrophobicContact CB-CD2 4.33Å; A141-W193 HydrophobicContact CB-CH2 3.83Å; A141-W193 HydrophobicContact CB-CZ2 3.51Å; A141-W193 HydrophobicContact CB-CZ3 4.36Å
142	V	96.3	Very high	97.8	Very high	17 Å²	17	38.4 Å²	38.4	10%	0.103	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	141.9	179.4	-62.3	0	0	0	0	110.3	F137 V144 F162 K172 D191 H192	F137-V142 HydrophobicContact CD2-CG1 3.68Å; F137-V142 HydrophobicContact CE2-CG1 3.46Å; F137-V142 VanDerWaalsContact CE2-CG1 3.46Å; F137-V142 HydrophobicContact CE2-CG2 4.4Å; F137-V142 HydrophobicContact CG-CG1 4.39Å; F137-V142 HydrophobicContact CZ-CG1 4.01Å; F137-V142 HydrophobicContact CZ-CG2 4.39Å; V142-V144 HydrophobicContact CG2-CG2 4.1Å; V142-F162 HydrophobicContact CG2-CE1 3.81Å; V142-F162 HydrophobicContact CG2-CZ 4.22Å; V142-K172 HydrophobicContact CG2-CD 3.72Å; V142-D191 WeakPolarHBondContact CA-O 3.21Å; V142-H192 HydrophobicContact CG1-CB 4.25Å
143	N	97.3	Very high	97.8	Very high	111 Å²	111	40.4 Å²	40.4	59%	0.594	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-106.5	127.9	166.5	-66.7	-34.8	0	0	0	108.4	V190 D191	N143-V190 WeakPolarHBondContact O-CA 3.4Å; N143-D191 HydrophobicContact CB-CB 4.26Å; N143-D191 PolarHBondContact N-O 2.71Å; N143-D191 PolarHBondContact O-N 2.92Å
144	V	98.5	Very high	97.7	Very high	24 Å²	24	44.4 Å²	44.4	15%	0.145	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	127.8	-178.5	-168.9	0	0	0	0	108.9	I134 V142 H174 C188 E189 V190	I134-V144 HydrophobicContact CD1-CB 4.45Å; I134-V144 HydrophobicContact CD1-CG1 4.25Å; I134-V144 HydrophobicContact CD1-CG2 3.35Å; V142-V144 HydrophobicContact CG2-CG2 4.1Å; V144-H174 HydrophobicContact CG1-CB 3.94Å; V144-C188 VanDerWaalsContact CG1-SG 3.55Å; V144-E189 CarbonylContact C-O 3.6Å; V144-E189 WeakPolarHBondContact CA-O 3.48Å; V144-V190 HydrophobicContact CG1-CG2 4.2Å
145	T	98.6	Very high	97.7	Very high	52 Å²	52	53.5 Å²	53.5	32%	0.319	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	126.6	176.9	-55.3	0	0	0	0	109.7	L147 P152 E189	T145-L147 HydrophobicContact CG2-CD2 3.88Å; T145-P152 HydrophobicContact CG2-CB 4.13Å; T145-E189 PolarHBondContact N-O 2.81Å; T145-E189 PolarHBondContact O-N 2.84Å
146	W	98.8	Very high	97.6	Very high	3 Å²	3	54.1 Å²	54.1	1%	0.011	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	131.5	166.7	-78.6	106.3	0	0	0	110.2	V116 L130 C132 P152 V153 V157 H174 L176 C188	V116-W146 HydrophobicContact CG1-CH2 3.99Å; V116-W146 HydrophobicContact CG1-CZ3 4.23Å; V116-W146 HydrophobicContact CG2-CH2 4.39Å; L130-W146 HydrophobicContact CB-CH2 3.65Å; L130-W146 HydrophobicContact CB-CZ2 4.19Å; L130-W146 HydrophobicContact CB-CZ3 4.1Å; L130-W146 HydrophobicContact CD1-CZ3 4.18Å; C132-W146 HydrophobicContact CB-CH2 3.74Å; C132-W146 HydrophobicContact CB-CZ2 3.45Å; C132-W146 VanDerWaalsContact CB-CZ2 3.45Å; W146-P152 WeakPolarHBondContact O-CA 3.47Å; W146-V153 HydrophobicContact CB-CG2 3.65Å; W146-V153 PolarHBondContact O-N 2.84Å; W146-V157 HydrophobicContact CB-CG2 4.48Å; W146-V157 HydrophobicContact CG-CG2 4.44Å; W146-H174 AromaticContact NE1-ND1 3.95Å; W146-L176 HydrophobicContact CB-CD2 4.13Å; W146-L176 HydrophobicContact CD2-CB 3.79Å; W146-L176 HydrophobicContact CD2-CD2 3.97Å; W146-L176 HydrophobicContact CD2-CG 4.48Å; W146-L176 HydrophobicContact CE3-CB 4.39Å; W146-L176 HydrophobicContact CE3-CD2 4.01Å; W146-L176 HydrophobicContact CG-CB 3.94Å; W146-L176 HydrophobicContact CG-CD2 4.05Å; W146-L176 HydrophobicContact CG-CG 4.43Å; W146-L176 HydrophobicContact CZ2-CB 4.16Å; W146-C188 HydrophobicContact CE3-CB 4.18Å; W146-C188 HydrophobicContact CH2-CB 4.04Å; W146-C188 HydrophobicContact CZ3-CB 3.85Å
147	L	98.7	Very high	97.6	Very high	9 Å²	9	53.1 Å²	53.1	5%	0.047	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	138.4	172.1	-51.6	177.7	0	0	0	109	T145 Q151 P152 Y186 D187 E189	T145-L147 HydrophobicContact CG2-CD2 3.88Å; L147-Q151 CarbonylContact C-O 3.58Å; L147-Q151 VanDerWaalsContact CA-O 3.29Å; L147-Q151 WeakPolarHBondContact CA-O 3.39Å; L147-P152 HydrophobicContact CD2-CB 4.28Å; L147-P152 HydrophobicContact CD2-CG 3.95Å; L147-Y186 CarbonylContact O-C 3.53Å; L147-Y186 WeakPolarHBondContact O-CA 3.46Å; L147-D187 HydrophobicContact CB-CB 4.15Å; L147-D187 HydrophobicContact CD1-CB 4.26Å; L147-D187 HydrophobicContact CG-CB 4.5Å; L147-D187 PolarHBondContact N-O 2.99Å; L147-D187 PolarHBondContact O-N 3.41Å; L147-E189 HydrophobicContact CD1-CB 4.47Å
148	R	98.4	Very high	97.6	Very high	103 Å²	103	56.3 Å²	56.3	39%	0.389	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	120.3	165	179.5	-176.5	176.6	176.4	2.4	107.7	G150 Q151 V153 D184 Y185 Y186	R148-G150 PolarHBondContact O-N 2.93Å; R148-Q151 PolarHBondContact N-O 2.9Å; R148-Q151 PolarHBondContact O-N 2.79Å; R148-V153 HydrophobicContact CB-CG1 3.77Å; R148-V153 HydrophobicContact CB-CG2 4.48Å; R148-D184 IonicContact CZ-OD1 3.92Å; R148-D184 IonicContact CZ-OD2 3.11Å; R148-D184 VanDerWaalsContact NE-CG 3.31Å; R148-D184 IonicContact NE-OD1 3.98Å; R148-D184 PolarHBondContact NE-OD1 3.43Å; R148-D184 IonicContact NE-OD2 2.68Å; R148-D184 IonicContact NH2-OD1 2.81Å; R148-D184 PolarHBondContact NH2-OD1 2.76Å; R148-D184 VanDerWaalsContact NH2-OD1 3.11Å; R148-D184 IonicContact NH2-OD2 2.7Å; R148-D184 PolarHBondContact NH2-OD2 2.91Å; R148-Y185 WeakPolarHBondContact CA-O 3.36Å; R148-Y186 HydrophobicContact CB-CD1 4.01Å; R148-Y186 HydrophobicContact CB-CE1 3.89Å; R148-Y186 HydrophobicContact CG-CD1 4.17Å; R148-Y186 HydrophobicContact CG-CE1 3.69Å
149	N	97.9	Very high	97.7	Very high	60 Å²	60	61 Å²	61	32%	0.321	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	40.8	-175.2	-53.4	-33.4	0	0	0	112.7	Q151 D184 Y185	N149-Q151 VanDerWaalsContact C-N 3.27Å; N149-Q151 PolarHBondContact O-N 2.9Å; N149-D184 PolarHBondContact ND2-OD1 3.35Å; N149-D184 WeakPolarHBondContact OD1-CA 3.47Å; N149-Y185 VanDerWaalsContact C-OH 3.31Å; N149-Y185 VanDerWaalsContact CA-CZ 3.45Å; N149-Y185 HydrophobicContact CB-CE1 4.2Å; N149-Y185 PolarHBondContact N-O 3.01Å; N149-Y185 WeakPolarHBondContact OD1-CD1 3.42Å; N149-Y185 PolarHBondContact OD1-N 2.96Å; N149-Y185 PolarHBondContact OD1-O 2.78Å
150	G	97.8	Very high	97.8	Very high	33 Å²	33	61.1 Å²	61.1	34%	0.34	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.6	3.4	-177.8	0	0	0	0	0	115.9	R148 Y185	R148-G150 PolarHBondContact O-N 2.93Å; G150-Y185 PolarHBondContact N-OH 2.83Å
151	Q	98.3	Very high	97.9	Very high	133 Å²	133	61 Å²	61	62%	0.621	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.5	135.3	178.2	-63.6	-61.1	-51	0	0	111.7	L147 R148 N149	L147-Q151 CarbonylContact C-O 3.58Å; L147-Q151 VanDerWaalsContact CA-O 3.29Å; L147-Q151 WeakPolarHBondContact CA-O 3.39Å; R148-Q151 PolarHBondContact N-O 2.9Å; R148-Q151 PolarHBondContact O-N 2.79Å; N149-Q151 VanDerWaalsContact C-N 3.27Å; N149-Q151 PolarHBondContact O-N 2.9Å
152	P	98.3	Very high	98.1	Very high	88 Å²	88	61.4 Å²	61.4	57%	0.571	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.5	136.5	177.9	-24.2	33.9	0	0	0	113.5	T145 W146 L147	T145-P152 HydrophobicContact CG2-CB 4.13Å; W146-P152 WeakPolarHBondContact O-CA 3.47Å; L147-P152 HydrophobicContact CD2-CB 4.28Å; L147-P152 HydrophobicContact CD2-CG 3.95Å
153	V	97.8	Very high	98.2	Very high	41 Å²	41	60.7 Å²	60.7	25%	0.248	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	133	175.1	-65.4	0	0	0	0	111.1	W146 R148 V157 L176	W146-V153 HydrophobicContact CB-CG2 3.65Å; W146-V153 PolarHBondContact O-N 2.84Å; R148-V153 HydrophobicContact CB-CG1 3.77Å; R148-V153 HydrophobicContact CB-CG2 4.48Å; V153-V157 WeakPolarHBondContact O-CG2 3.29Å; V153-L176 HydrophobicContact CG2-CD1 3.96Å; V153-L176 HydrophobicContact CG2-CD2 3.98Å
154	T	97.6	Very high	98.2	Very high	127 Å²	127	56.3 Å²	56.3	78%	0.779	31%	0.312	S	S	*	.			trans	-119.7	-19.6	179.7	56.2	0	0	0	0	113	G156 V157	T154-G156 PolarHBondContact O-N 2.89Å; T154-V157 WeakPolarHBondContact O-CB 3.45Å; T154-V157 PolarHBondContact O-N 2.94Å
155	K	97.8	Very high	98.2	Very high	191 Å²	191	58.2 Å²	58.2	83%	0.83	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	125.4	179.6	-176.3	180	178.3	-178.1	0	110
156	G	97.2	Very high	98	Very high	32 Å²	32	65.2 Å²	65.2	33%	0.33	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	15.2	179.6	0	0	0	0	0	113.8	T154 T177	T154-G156 PolarHBondContact O-N 2.89Å; G156-T177 VanDerWaalsContact CA-OG1 3.3Å; G156-T177 WeakPolarHBondContact CA-OG1 3.32Å; G156-T177 PolarHBondContact O-N 3.02Å; G156-T177 PolarHBondContact O-OG1 3.07Å
157	V	98.5	Very high	97.9	Very high	47 Å²	47	68.6 Å²	68.6	29%	0.285	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	137.4	170.7	177.4	0	0	0	0	109.6	W146 V153 T154 Y175 L176	W146-V157 HydrophobicContact CB-CG2 4.48Å; W146-V157 HydrophobicContact CG-CG2 4.44Å; V153-V157 WeakPolarHBondContact O-CG2 3.29Å; T154-V157 WeakPolarHBondContact O-CB 3.45Å; T154-V157 PolarHBondContact O-N 2.94Å; V157-Y175 VanDerWaalsContact CA-O 3.24Å; V157-Y175 WeakPolarHBondContact CA-O 3.41Å; V157-L176 HydrophobicContact CG2-CD1 3.75Å
158	S	98.2	Very high	97.7	Very high	66 Å²	66	75.9 Å²	75.9	46%	0.462	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	165.3	168.6	61.9	0	0	0	0	110.1	Y175	S158-Y175 PolarHBondContact N-O 2.83Å; S158-Y175 VanDerWaalsContact N-O 3.14Å; S158-Y175 WeakPolarHBondContact O-CD2 3.42Å; S158-Y175 PolarHBondContact O-N 3.25Å
159	E	98.4	Very high	97.7	Very high	109 Å²	109	72.5 Å²	72.5	51%	0.509	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	161.4	-176.6	67.9	-175.8	134.7	0	0	112.1	K172 F173 H174	E159-K172 WeakPolarHBondContact OE2-CE 3.24Å; E159-K172 IonicContact OE2-NZ 3.77Å; E159-K172 PolarHBondContact OE2-NZ 3.05Å; E159-F173 CarbonylContact C-O 3.59Å; E159-F173 VanDerWaalsContact CA-O 3.25Å; E159-F173 WeakPolarHBondContact CA-O 3.49Å; E159-H174 WeakPolarHBondContact CB-CD2 3.29Å; E159-H174 VanDerWaalsContact CB-NE2 3.32Å; E159-H174 WeakPolarHBondContact CB-NE2 3.36Å; E159-H174 VanDerWaalsContact CD-NE2 3.33Å; E159-H174 IonicContact OE1-NE2 3.67Å; E159-H174 IonicContact OE2-CD2 3.97Å; E159-H174 IonicContact OE2-CE1 3.86Å; E159-H174 IonicContact OE2-NE2 3.49Å; E159-H174 PolarHBondContact OE2-NE2 3.41Å
160	T	98.6	Very high	97.7	Very high	6 Å²	6	71.2 Å²	71.2	4%	0.037	38%	0.379	C	S	.	.			trans	-88.3	166.9	165.4	64.1	0	0	0	0	110.7	K172 F173 Y175	T160-K172 PolarHBondContact O-NZ 3Å; T160-F173 HydrophobicContact CG2-CB 3.94Å; T160-F173 HydrophobicContact CG2-CD2 4.2Å; T160-F173 PolarHBondContact N-O 2.68Å; T160-F173 PolarHBondContact OG1-N 2.7Å; T160-Y175 HydrophobicContact CG2-CE2 4.07Å
161	V	98.3	Very high	97.8	Very high	11 Å²	11	71.7 Å²	71.7	7%	0.067	37%	0.37	C	S	.	.			trans	-66	-179	158.8	-65.3	0	0	0	0	111.6	E46 M48 E55 H58 L163	E46-V161 VanDerWaalsContact CD-CB 3.49Å; E46-V161 HydrophobicContact CG-CB 4.36Å; E46-V161 HydrophobicContact CG-CG1 4.46Å; E46-V161 WeakPolarHBondContact OE1-CB 3.28Å; E46-V161 WeakPolarHBondContact OE2-CB 3.43Å; M48-V161 HydrophobicContact CB-CG2 4.04Å; M48-V161 HydrophobicContact CE-CG2 4.11Å; M48-V161 HydrophobicContact CG-CG2 4.18Å; E55-V161 HydrophobicContact CG-CG2 4.24Å; H58-V161 HydrophobicContact CB-CG1 3.69Å; H58-V161 HydrophobicContact CB-CG2 4.28Å; V161-L163 HydrophobicContact CG2-CD2 4.11Å; V161-L163 PolarHBondContact O-N 3.17Å
162	F	98.4	Very high	97.8	Very high	26 Å²	26	66 Å²	66	11%	0.114	34%	0.344	C	S	.	.			trans	-77.8	110.8	173.5	-62	-84.2	0	0	0	109.8	F37 E46 F137 P140 V142 F170 K172	F37-F162 HydrophobicContact CE1-CB 4.08Å; F37-F162 HydrophobicContact CE1-CD2 4.15Å; F37-F162 HydrophobicContact CE1-CG 4.43Å; F37-F162 AromaticContact CZ-CD2 3.83Å; F37-F162 HydrophobicContact CZ-CD2 3.83Å; F37-F162 HydrophobicContact CZ-CE2 4.45Å; F37-F162 HydrophobicContact CZ-CG 4.44Å; E46-F162 WeakPolarHBondContact OE1-CA 3.28Å; E46-F162 WeakPolarHBondContact OE1-CB 3.31Å; E46-F162 PolarHBondContact OE1-N 3.43Å; F137-F162 AromaticContact CE2-CD1 3.79Å; F137-F162 HydrophobicContact CE2-CD1 3.79Å; F137-F162 AromaticContact CE2-CE1 3.67Å; F137-F162 HydrophobicContact CE2-CE1 3.67Å; F137-F162 AromaticContact CZ-CD1 3.64Å; F137-F162 HydrophobicContact CZ-CD1 3.64Å; F137-F162 AromaticContact CZ-CE1 3.78Å; F137-F162 HydrophobicContact CZ-CE1 3.78Å; P140-F162 VanDerWaalsContact C-CE1 3.49Å; P140-F162 VanDerWaalsContact C-CZ 3.45Å; P140-F162 HydrophobicContact CB-CB 4.13Å; P140-F162 HydrophobicContact CB-CD1 3.67Å; P140-F162 HydrophobicContact CB-CD2 4Å; P140-F162 HydrophobicContact CB-CE1 4.02Å; P140-F162 HydrophobicContact CB-CE2 4.32Å; P140-F162 HydrophobicContact CB-CG 3.67Å; P140-F162 HydrophobicContact CB-CZ 4.34Å; P140-F162 VanDerWaalsContact O-CE2 3.29Å; P140-F162 WeakPolarHBondContact O-CE2 3.48Å; P140-F162 WeakPolarHBondContact O-CZ 3.35Å; V142-F162 HydrophobicContact CG2-CE1 3.81Å; V142-F162 HydrophobicContact CG2-CZ 4.22Å; F162-F170 HydrophobicContact CB-CD1 3.74Å; F162-F170 HydrophobicContact CB-CE1 4.39Å; F162-F170 HydrophobicContact CB-CG 4.42Å; F162-F170 HydrophobicContact CD1-CB 4.45Å; F162-K172 HydrophobicContact CD1-CD 4.09Å; F162-K172 HydrophobicContact CE1-CD 3.81Å; F162-K172 HydrophobicContact CZ-CD 4.29Å
163	L	98.6	Very high	97.8	Very high	3 Å²	3	64 Å²	64	2%	0.016	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	141.4	-177.9	-50.4	177.5	0	0	0	110.5	M48 E55 V161 F170 R171 F173	M48-L163 HydrophobicContact CE-CD2 3.52Å; E55-L163 HydrophobicContact CB-CD2 3.9Å; V161-L163 HydrophobicContact CG2-CD2 4.11Å; V161-L163 PolarHBondContact O-N 3.17Å; L163-F170 WeakPolarHBondContact O-CA 3.3Å; L163-R171 HydrophobicContact CB-CB 4Å; L163-R171 PolarHBondContact N-O 2.76Å; L163-R171 PolarHBondContact O-N 2.83Å; L163-F173 HydrophobicContact CD1-CD2 3.69Å; L163-F173 HydrophobicContact CD1-CE2 3.61Å
164	P	97.9	Very high	97.8	Very high	18 Å²	18	62.5 Å²	62.5	12%	0.117	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	162.2	-178.6	31.3	-36.4	0	0	0	112.4	I33 A35 M48 D50 R171	I33-P164 HydrophobicContact CG2-CG 4.22Å; A35-P164 HydrophobicContact CB-CB 3.99Å; A35-P164 HydrophobicContact CB-CG 3.92Å; M48-P164 HydrophobicContact SD-CG 4.41Å; D50-P164 HydrophobicContact CB-CG 4.19Å; P164-R171 PolarHBondContact O-NE 2.03Å; P164-R171 PolarHBondContact O-NH2 3.46Å
165	R	97.4	Very high	97.9	Very high	64 Å²	64	58.2 Å²	58.2	24%	0.242	29%	0.286	C	S	.	.			trans	-134.1	160.8	167.1	-62.8	172.7	53.1	77.9	12.6	109.9	D135 D167 H168 L169 R171	D135-R165 VanDerWaalsContact CG-NH1 3.34Å; D135-R165 WeakPolarHBondContact OD1-CD 3.4Å; D135-R165 IonicContact OD1-CZ 2.72Å; D135-R165 IonicContact OD1-NE 3.59Å; D135-R165 IonicContact OD1-NH1 2.8Å; D135-R165 PolarHBondContact OD1-NH1 3.09Å; D135-R165 IonicContact OD2-NH1 3.86Å; D135-R165 PolarHBondContact OD2-NH1 3.34Å; D135-R165 VanDerWaalsContact OD2-NH1 3.15Å; R165-D167 WeakPolarHBondContact CB-OD1 3.41Å; R165-D167 IonicContact CZ-OD1 3.15Å; R165-D167 IonicContact CZ-OD2 2.67Å; R165-D167 IonicContact NE-OD1 2.83Å; R165-D167 PolarHBondContact NE-OD1 2.82Å; R165-D167 IonicContact NE-OD2 3.49Å; R165-D167 PolarHBondContact NE-OD2 2.85Å; R165-D167 IonicContact NH2-OD1 3.87Å; R165-D167 IonicContact NH2-OD2 3.73Å; R165-D167 PolarHBondContact NH2-OD2 3.19Å; R165-D167 PolarHBondContact O-N 3.02Å; R165-H168 PolarHBondContact O-N 3.24Å; R165-L169 VanDerWaalsContact CB-O 3.27Å; R165-L169 WeakPolarHBondContact CB-O 3.48Å; R165-L169 WeakPolarHBondContact CG-O 3.25Å; R165-L169 PolarHBondContact N-O 2.82Å; R165-R171 HydrophobicContact CG-CG 3.83Å
166	E	95.1	Very high	97.9	Very high	199 Å²	199	49.3 Å²	49.3	93%	0.93	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-26.9	176.5	-63.5	-177.3	172	0	0	113.4	H168	E166-H168 VanDerWaalsContact C-N 3.32Å
167	D	96.4	Very high	98	Very high	74 Å²	74	51.7 Å²	51.7	40%	0.396	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	9.9	-179.4	56.6	15.8	0	0	0	113.7	R165 L169	R165-D167 WeakPolarHBondContact CB-OD1 3.41Å; R165-D167 IonicContact CZ-OD1 3.15Å; R165-D167 IonicContact CZ-OD2 2.67Å; R165-D167 IonicContact NE-OD1 2.83Å; R165-D167 PolarHBondContact NE-OD1 2.82Å; R165-D167 IonicContact NE-OD2 3.49Å; R165-D167 PolarHBondContact NE-OD2 2.85Å; R165-D167 IonicContact NH2-OD1 3.87Å; R165-D167 IonicContact NH2-OD2 3.73Å; R165-D167 PolarHBondContact NH2-OD2 3.19Å; R165-D167 PolarHBondContact O-N 3.02Å; D167-L169 PolarHBondContact O-N 2.88Å; D167-L169 WeakPolarHBondContact OD1-CB 3.47Å; D167-L169 PolarHBondContact OD1-N 2.84Å; D167-L169 VanDerWaalsContact OD1-N 3.16Å
168	H	95.5	Very high	97.9	Very high	162 Å²	162	50.2 Å²	50.2	75%	0.75	25%	0.246	S	C	*	.	S	Bend	trans	63.3	10.7	-176.2	-49.6	-61.9	0	0	0	115.3	R165 E166	R165-H168 PolarHBondContact O-N 3.24Å; E166-H168 VanDerWaalsContact C-N 3.32Å
169	L	97.9	Very high	97.9	Very high	33 Å²	33	51.7 Å²	51.7	17%	0.173	25%	0.248	C	C	.	.			trans	-84.3	173.7	166	-54.6	177.4	0	0	0	110.1	V110 K136 R165 D167	V110-L169 HydrophobicContact CB-CD2 4.19Å; V110-L169 HydrophobicContact CG1-CD1 4.34Å; V110-L169 HydrophobicContact CG1-CD2 4.36Å; V110-L169 HydrophobicContact CG2-CD2 4.03Å; K136-L169 HydrophobicContact CB-CD1 3.92Å; R165-L169 VanDerWaalsContact CB-O 3.27Å; R165-L169 WeakPolarHBondContact CB-O 3.48Å; R165-L169 WeakPolarHBondContact CG-O 3.25Å; R165-L169 PolarHBondContact N-O 2.82Å; D167-L169 PolarHBondContact O-N 2.88Å; D167-L169 WeakPolarHBondContact OD1-CB 3.47Å; D167-L169 PolarHBondContact OD1-N 2.84Å; D167-L169 VanDerWaalsContact OD1-N 3.16Å
170	F	98.4	Very high	97.7	Very high	32 Å²	32	46.8 Å²	46.8	14%	0.14	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	153.4	-175.8	-62.2	-88.1	0	0	0	112.9	F37 K136 F137 P140 F162 L163	F37-F170 AromaticContact CD1-CE1 3.98Å; F37-F170 HydrophobicContact CD1-CE1 3.98Å; F37-F170 HydrophobicContact CD1-CZ 4.4Å; F37-F170 HydrophobicContact CE1-CE1 4.21Å; K136-F170 PolarHBondContact N-O 3.11Å; K136-F170 VanDerWaalsContact N-O 3.11Å; F137-F170 HydrophobicContact CD1-CB 4.41Å; F137-F170 VanDerWaalsContact CD1-O 3.27Å; F137-F170 WeakPolarHBondContact CD1-O 3.49Å; F137-F170 HydrophobicContact CD2-CB 4.34Å; F137-F170 HydrophobicContact CE1-CB 4Å; F137-F170 WeakPolarHBondContact CE1-O 3.32Å; F137-F170 HydrophobicContact CE2-CB 3.93Å; F137-F170 HydrophobicContact CZ-CB 3.75Å; F137-F170 WeakPolarHBondContact O-CD2 3.37Å; F137-F170 PolarHBondContact O-N 2.67Å; P140-F170 HydrophobicContact CB-CD1 3.88Å; P140-F170 HydrophobicContact CB-CD2 3.8Å; P140-F170 HydrophobicContact CB-CE1 3.86Å; P140-F170 HydrophobicContact CB-CE2 3.84Å; P140-F170 HydrophobicContact CB-CG 3.83Å; P140-F170 HydrophobicContact CB-CZ 3.85Å; P140-F170 VanDerWaalsContact CD-CE2 3.48Å; P140-F170 HydrophobicContact CG-CD2 4.23Å; P140-F170 HydrophobicContact CG-CE1 4.05Å; P140-F170 HydrophobicContact CG-CE2 3.75Å; P140-F170 HydrophobicContact CG-CZ 3.63Å; F162-F170 HydrophobicContact CB-CD1 3.74Å; F162-F170 HydrophobicContact CB-CE1 4.39Å; F162-F170 HydrophobicContact CB-CG 4.42Å; F162-F170 HydrophobicContact CD1-CB 4.45Å; L163-F170 WeakPolarHBondContact O-CA 3.3Å
171	R	98.5	Very high	97.5	Very high	43 Å²	43	47.9 Å²	47.9	16%	0.162	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	148	167.1	-78.8	176.3	-56.8	129.4	5.2	109.3	D50 G53 F133 I134 D135 L163 P164 R165	D50-R171 IonicContact OD2-NH2 2.72Å; G53-R171 PolarHBondContact O-NH1 3.48Å; F133-R171 HydrophobicContact CE2-CB 4.11Å; F133-R171 HydrophobicContact CE2-CG 3.85Å; F133-R171 HydrophobicContact CZ-CG 3.99Å; I134-R171 CarbonylContact O-C 3.57Å; I134-R171 WeakPolarHBondContact O-CA 2.89Å; D135-R171 HydrophobicContact CB-CG 4.44Å; D135-R171 WeakPolarHBondContact OD1-CG 3.29Å; L163-R171 HydrophobicContact CB-CB 4Å; L163-R171 PolarHBondContact N-O 2.76Å; L163-R171 PolarHBondContact O-N 2.83Å; P164-R171 PolarHBondContact O-NE 2.03Å; P164-R171 PolarHBondContact O-NH2 3.46Å; R165-R171 HydrophobicContact CG-CG 3.83Å
172	K	98.6	Very high	97.3	Very high	13 Å²	13	51.7 Å²	51.7	6%	0.057	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	141.9	171.9	-169.3	173.2	172.7	80.6	0	110	I134 F137 V142 E159 T160 F162	I134-K172 HydrophobicContact CB-CB 4.5Å; I134-K172 PolarHBondContact N-O 2.88Å; I134-K172 PolarHBondContact O-N 3.2Å; F137-K172 HydrophobicContact CE1-CB 4.33Å; F137-K172 HydrophobicContact CZ-CB 4.14Å; V142-K172 HydrophobicContact CG2-CD 3.72Å; E159-K172 WeakPolarHBondContact OE2-CE 3.24Å; E159-K172 IonicContact OE2-NZ 3.77Å; E159-K172 PolarHBondContact OE2-NZ 3.05Å; T160-K172 PolarHBondContact O-NZ 3Å; F162-K172 HydrophobicContact CD1-CD 4.09Å; F162-K172 HydrophobicContact CE1-CD 3.81Å; F162-K172 HydrophobicContact CZ-CD 4.29Å
173	F	98.8	Very high	97.1	Very high	47 Å²	47	58.3 Å²	58.3	21%	0.206	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	132.6	173.7	-63.4	-92.4	0	0	0	110	I131 F133 E159 T160 L163 Y175	I131-F173 HydrophobicContact CG2-CD1 3.77Å; I131-F173 HydrophobicContact CG2-CE1 4.47Å; F133-F173 HydrophobicContact CB-CD1 4.16Å; F133-F173 HydrophobicContact CB-CE1 4.07Å; F133-F173 AromaticContact CD2-CD1 3.7Å; F133-F173 HydrophobicContact CD2-CD1 3.7Å; F133-F173 HydrophobicContact CD2-CD2 4.45Å; F133-F173 AromaticContact CD2-CE1 3.24Å; F133-F173 HydrophobicContact CD2-CE1 3.24Å; F133-F173 HydrophobicContact CD2-CE2 4.08Å; F133-F173 HydrophobicContact CD2-CG 4.29Å; F133-F173 AromaticContact CD2-CZ 3.47Å; F133-F173 HydrophobicContact CD2-CZ 3.47Å; F133-F173 VanDerWaalsContact CD2-CZ 3.47Å; F133-F173 AromaticContact CE2-CE1 3.84Å; F133-F173 HydrophobicContact CE2-CE1 3.84Å; F133-F173 HydrophobicContact CE2-CE2 4.04Å; F133-F173 AromaticContact CE2-CZ 3.54Å; F133-F173 HydrophobicContact CE2-CZ 3.54Å; F133-F173 HydrophobicContact CG-CD1 4.28Å; F133-F173 AromaticContact CG-CE1 3.81Å; F133-F173 HydrophobicContact CG-CE1 3.81Å; F133-F173 HydrophobicContact CG-CZ 4.36Å; F133-F173 HydrophobicContact CZ-CZ 4.48Å; E159-F173 CarbonylContact C-O 3.59Å; E159-F173 VanDerWaalsContact CA-O 3.25Å; E159-F173 WeakPolarHBondContact CA-O 3.49Å; T160-F173 HydrophobicContact CG2-CB 3.94Å; T160-F173 HydrophobicContact CG2-CD2 4.2Å; T160-F173 PolarHBondContact N-O 2.68Å; T160-F173 PolarHBondContact OG1-N 2.7Å; L163-F173 HydrophobicContact CD1-CD2 3.69Å; L163-F173 HydrophobicContact CD1-CE2 3.61Å; F173-Y175 HydrophobicContact CB-CE1 4.01Å; F173-Y175 HydrophobicContact CB-CE2 3.92Å; F173-Y175 VanDerWaalsContact CB-CZ 3.47Å; F173-Y175 VanDerWaalsContact CB-OH 3.31Å; F173-Y175 WeakPolarHBondContact CB-OH 3.38Å
174	H	98.6	Very high	96.9	Very high	10 Å²	10	59 Å²	59	5%	0.046	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	137.7	168.3	-112.9	-108.9	0	0	0	109	I131 C132 V144 W146 E159	I131-H174 CarbonylContact C-O 3.57Å; I131-H174 WeakPolarHBondContact CA-O 3.49Å; C132-H174 HydrophobicContact CB-CB 4.04Å; C132-H174 PolarHBondContact N-O 2.99Å; C132-H174 PolarHBondContact O-N 3.32Å; V144-H174 HydrophobicContact CG1-CB 3.94Å; W146-H174 AromaticContact NE1-ND1 3.95Å; E159-H174 WeakPolarHBondContact CB-CD2 3.29Å; E159-H174 VanDerWaalsContact CB-NE2 3.32Å; E159-H174 WeakPolarHBondContact CB-NE2 3.36Å; E159-H174 VanDerWaalsContact CD-NE2 3.33Å; E159-H174 IonicContact OE1-NE2 3.67Å; E159-H174 IonicContact OE2-CD2 3.97Å; E159-H174 IonicContact OE2-CE1 3.86Å; E159-H174 IonicContact OE2-NE2 3.49Å; E159-H174 PolarHBondContact OE2-NE2 3.41Å
175	Y	98.8	Very high	96.9	Very high	36 Å²	36	62.2 Å²	62.2	14%	0.141	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	143.6	-174.7	-52.7	-75.7	0	0	0	110	I129 L130 I131 V157 S158 T160 F173	I129-Y175 HydrophobicContact CG2-CD1 4.12Å; L130-Y175 CarbonylContact O-C 3.57Å; L130-Y175 WeakPolarHBondContact O-CA 3.27Å; I131-Y175 HydrophobicContact CB-CD1 4.45Å; I131-Y175 HydrophobicContact CG1-CD1 3.99Å; I131-Y175 HydrophobicContact CG1-CE1 4.19Å; I131-Y175 HydrophobicContact CG2-CD1 4.23Å; I131-Y175 HydrophobicContact CG2-CE1 4Å; V157-Y175 VanDerWaalsContact CA-O 3.24Å; V157-Y175 WeakPolarHBondContact CA-O 3.41Å; S158-Y175 PolarHBondContact N-O 2.83Å; S158-Y175 VanDerWaalsContact N-O 3.14Å; S158-Y175 WeakPolarHBondContact O-CD2 3.42Å; S158-Y175 PolarHBondContact O-N 3.25Å; T160-Y175 HydrophobicContact CG2-CE2 4.07Å; F173-Y175 HydrophobicContact CB-CE1 4.01Å; F173-Y175 HydrophobicContact CB-CE2 3.92Å; F173-Y175 VanDerWaalsContact CB-CZ 3.47Å; F173-Y175 VanDerWaalsContact CB-OH 3.31Å; F173-Y175 WeakPolarHBondContact CB-OH 3.38Å
176	L	98.8	Very high	97	Very high	5 Å²	5	59.3 Å²	59.3	3%	0.026	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	114.9	170	174.6	67	0	0	0	109.5	I129 L130 W146 V153 V157 F178 Y186	I129-L176 CarbonylContact C-O 3.55Å; I129-L176 WeakPolarHBondContact CA-O 3.33Å; L130-L176 HydrophobicContact CB-CB 4.45Å; L130-L176 PolarHBondContact N-O 2.98Å; L130-L176 PolarHBondContact O-N 3.4Å; W146-L176 HydrophobicContact CB-CD2 4.13Å; W146-L176 HydrophobicContact CD2-CB 3.79Å; W146-L176 HydrophobicContact CD2-CD2 3.97Å; W146-L176 HydrophobicContact CD2-CG 4.48Å; W146-L176 HydrophobicContact CE3-CB 4.39Å; W146-L176 HydrophobicContact CE3-CD2 4.01Å; W146-L176 HydrophobicContact CG-CB 3.94Å; W146-L176 HydrophobicContact CG-CD2 4.05Å; W146-L176 HydrophobicContact CG-CG 4.43Å; W146-L176 HydrophobicContact CZ2-CB 4.16Å; V153-L176 HydrophobicContact CG2-CD1 3.96Å; V153-L176 HydrophobicContact CG2-CD2 3.98Å; V157-L176 HydrophobicContact CG2-CD1 3.75Å; L176-F178 PolarHBondContact O-N 2.96Å; L176-Y186 HydrophobicContact CD2-CD1 3.63Å; L176-Y186 HydrophobicContact CD2-CE1 3.92Å
177	T	98.4	Very high	97.1	Very high	82 Å²	82	50.6 Å²	50.6	50%	0.503	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	128	167.7	62.8	0	0	0	0	109.4	I129 G156	I129-T177 HydrophobicContact CG1-CG2 4.2Å; G156-T177 VanDerWaalsContact CA-OG1 3.3Å; G156-T177 WeakPolarHBondContact CA-OG1 3.32Å; G156-T177 PolarHBondContact O-N 3.02Å; G156-T177 PolarHBondContact O-OG1 3.07Å
178	F	97.2	Very high	97.2	Very high	16 Å²	16	47.1 Å²	47.1	7%	0.07	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	164.1	-178.3	82.1	-64.4	0	0	0	112.1	N128 L130 L176 P180 Y186 W203	N128-F178 HydrophobicContact CB-CD1 4.25Å; N128-F178 HydrophobicContact CB-CE1 3.63Å; N128-F178 HydrophobicContact CB-CZ 4.19Å; N128-F178 PolarHBondContact N-O 2.94Å; N128-F178 WeakPolarHBondContact O-CD1 3.34Å; N128-F178 PolarHBondContact O-N 3.45Å; L130-F178 HydrophobicContact CB-CE1 4.49Å; L130-F178 HydrophobicContact CD1-CD1 4.4Å; L130-F178 HydrophobicContact CD1-CE1 4.4Å; L130-F178 HydrophobicContact CD1-CG 4.47Å; L130-F178 HydrophobicContact CD1-CZ 4.45Å; L130-F178 HydrophobicContact CD2-CE1 4.07Å; L130-F178 HydrophobicContact CD2-CZ 4.08Å; L130-F178 HydrophobicContact CG-CD1 3.85Å; L130-F178 HydrophobicContact CG-CE1 3.6Å; L130-F178 HydrophobicContact CG-CE2 4.47Å; L130-F178 HydrophobicContact CG-CG 4.4Å; L130-F178 HydrophobicContact CG-CZ 3.93Å; L176-F178 PolarHBondContact O-N 2.96Å; F178-P180 HydrophobicContact CD2-CG 4.27Å; F178-P180 HydrophobicContact CE1-CG 4.46Å; F178-P180 HydrophobicContact CE2-CB 3.81Å; F178-P180 HydrophobicContact CE2-CG 3.62Å; F178-P180 HydrophobicContact CZ-CB 4.31Å; F178-P180 HydrophobicContact CZ-CG 3.74Å; F178-Y186 HydrophobicContact CB-CE1 4.19Å; F178-Y186 HydrophobicContact CD2-CE1 4.48Å; F178-Y186 AromaticContact CD2-CE2 3.73Å; F178-Y186 HydrophobicContact CD2-CE2 3.73Å; F178-Y186 AromaticContact CD2-CZ 3.71Å; F178-Y186 HydrophobicContact CE2-CE2 4.21Å; F178-W203 HydrophobicContact CD2-CZ3 4.35Å; F178-W203 HydrophobicContact CE2-CE3 4.47Å; F178-W203 AromaticContact CE2-CH2 3.42Å; F178-W203 HydrophobicContact CE2-CH2 3.42Å; F178-W203 VanDerWaalsContact CE2-CH2 3.42Å; F178-W203 HydrophobicContact CE2-CZ2 4.42Å; F178-W203 AromaticContact CE2-CZ3 3.45Å; F178-W203 HydrophobicContact CE2-CZ3 3.45Å; F178-W203 VanDerWaalsContact CE2-CZ3 3.45Å; F178-W203 AromaticContact CZ-CH2 3.53Å; F178-W203 HydrophobicContact CZ-CH2 3.53Å; F178-W203 HydrophobicContact CZ-CZ2 4.12Å; F178-W203 AromaticContact CZ-CZ3 3.88Å; F178-W203 HydrophobicContact CZ-CZ3 3.88Å
179	L	96.8	Very high	97.4	Very high	97 Å²	97	41.1 Å²	41.1	51%	0.508	21%	0.205	S	C	.	.			trans	-109.8	109.8	171.3	-167.9	67.8	0	0	0	107.2	G125 P127 S181	G125-L179 VanDerWaalsContact C-CD1 3.41Å; G125-L179 VanDerWaalsContact O-CD1 3.29Å; G125-L179 WeakPolarHBondContact O-CD1 3.47Å; P127-L179 HydrophobicContact CG-CD1 4.3Å; L179-S181 PolarHBondContact O-N 2.9Å
180	P	95.1	Very high	97.4	Very high	5 Å²	5	39.6 Å²	39.6	3%	0.032	20%	0.196	C	C	.	.			trans	-58.8	135.6	-176.4	-21.2	30.8	0	0	0	112.5	V122 L124 G125 E126 N128 F178	V122-P180 HydrophobicContact CG1-CB 3.46Å; V122-P180 VanDerWaalsContact CG1-CB 3.46Å; V122-P180 HydrophobicContact CG1-CG 3.63Å; L124-P180 HydrophobicContact CD2-CB 4.46Å; G125-P180 PolarHBondContact N-O 2.86Å; E126-P180 WeakPolarHBondContact O-CD 3.09Å; N128-P180 HydrophobicContact CB-CG 4.22Å; F178-P180 HydrophobicContact CD2-CG 4.27Å; F178-P180 HydrophobicContact CE1-CG 4.46Å; F178-P180 HydrophobicContact CE2-CB 3.81Å; F178-P180 HydrophobicContact CE2-CG 3.62Å; F178-P180 HydrophobicContact CZ-CB 4.31Å; F178-P180 HydrophobicContact CZ-CG 3.74Å
181	S	93.6	Very high	97.4	Very high	29 Å²	29	41.2 Å²	41.2	20%	0.203	21%	0.207	C	C	.	.			trans	-143	147.8	-179.3	176.9	0	0	0	0	109.1	L179 E183 D184	L179-S181 PolarHBondContact O-N 2.9Å; S181-E183 PolarHBondContact OG-N 3.37Å; S181-D184 WeakPolarHBondContact CB-OD2 3.35Å; S181-D184 PolarHBondContact OG-OD2 2.82Å
182	V	94	Very high	97.4	Very high	91 Å²	91	39.3 Å²	39.3	55%	0.552	20%	0.199	S	C	*	.	S	Bend	trans	-76.3	-14.3	174.1	-60.4	0	0	0	0	112.7	L124 F205	L124-V182 HydrophobicContact CD1-CG1 3.77Å; L124-V182 HydrophobicContact CD2-CG1 3.88Å; L124-V182 HydrophobicContact CG-CG1 4.49Å; V182-F205 HydrophobicContact CG1-CD1 3.88Å; V182-F205 HydrophobicContact CG1-CE1 4.2Å
183	E	93.9	Very high	97.1	Very high	166 Å²	166	44.6 Å²	44.6	78%	0.776	22%	0.219	S	C	*	.	S	Bend	trans	-94.4	-14.8	-177.8	-59	-177.1	174.8	0	0	112.8	S181	S181-E183 PolarHBondContact OG-N 3.37Å
184	D	95.9	Very high	96.9	Very high	18 Å²	18	43.6 Å²	43.6	10%	0.096	22%	0.223	C	C	.	.			trans	-105.8	137	-175	-67.5	-68.5	0	0	0	111.2	R148 N149 S181 Y186	R148-D184 IonicContact CZ-OD1 3.92Å; R148-D184 IonicContact CZ-OD2 3.11Å; R148-D184 VanDerWaalsContact NE-CG 3.31Å; R148-D184 IonicContact NE-OD1 3.98Å; R148-D184 PolarHBondContact NE-OD1 3.43Å; R148-D184 IonicContact NE-OD2 2.68Å; R148-D184 IonicContact NH2-OD1 2.81Å; R148-D184 PolarHBondContact NH2-OD1 2.76Å; R148-D184 VanDerWaalsContact NH2-OD1 3.11Å; R148-D184 IonicContact NH2-OD2 2.7Å; R148-D184 PolarHBondContact NH2-OD2 2.91Å; N149-D184 PolarHBondContact ND2-OD1 3.35Å; N149-D184 WeakPolarHBondContact OD1-CA 3.47Å; S181-D184 WeakPolarHBondContact CB-OD2 3.35Å; S181-D184 PolarHBondContact OG-OD2 2.82Å; D184-Y186 HydrophobicContact CB-CE2 3.84Å
185	Y	97.3	Very high	96.8	Very high	84 Å²	84	45 Å²	45	33%	0.329	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	159.4	163.3	69.6	-93.3	0	0	0	110.6	R148 N149 G150 D187 H202	R148-Y185 WeakPolarHBondContact CA-O 3.36Å; N149-Y185 VanDerWaalsContact C-OH 3.31Å; N149-Y185 VanDerWaalsContact CA-CZ 3.45Å; N149-Y185 HydrophobicContact CB-CE1 4.2Å; N149-Y185 PolarHBondContact N-O 3.01Å; N149-Y185 WeakPolarHBondContact OD1-CD1 3.42Å; N149-Y185 PolarHBondContact OD1-N 2.96Å; N149-Y185 PolarHBondContact OD1-O 2.78Å; G150-Y185 PolarHBondContact N-OH 2.83Å; Y185-D187 VanDerWaalsContact CE2-OD2 3.31Å; Y185-D187 WeakPolarHBondContact CE2-OD2 3.08Å; Y185-H202 VanDerWaalsContact CB-CE1 3.43Å; Y185-H202 WeakPolarHBondContact CB-CE1 3.44Å; Y185-H202 AromaticContact CD2-CE1 3.36Å; Y185-H202 WeakPolarHBondContact CD2-CE1 3.43Å; Y185-H202 AromaticContact CD2-ND1 3.79Å; Y185-H202 AromaticContact CG-CE1 3.54Å
186	Y	98.6	Very high	96.7	Very high	4 Å²	4	52.9 Å²	52.9	2%	0.016	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	144.1	-176	-61.1	-96.1	0	0	0	110	L130 L147 R148 L176 F178 D184 H202 W203	L130-Y186 HydrophobicContact CD1-CD1 4.06Å; L130-Y186 HydrophobicContact CD1-CD2 3.94Å; L130-Y186 HydrophobicContact CD1-CG 3.59Å; L147-Y186 CarbonylContact O-C 3.53Å; L147-Y186 WeakPolarHBondContact O-CA 3.46Å; R148-Y186 HydrophobicContact CB-CD1 4.01Å; R148-Y186 HydrophobicContact CB-CE1 3.89Å; R148-Y186 HydrophobicContact CG-CD1 4.17Å; R148-Y186 HydrophobicContact CG-CE1 3.69Å; L176-Y186 HydrophobicContact CD2-CD1 3.63Å; L176-Y186 HydrophobicContact CD2-CE1 3.92Å; F178-Y186 HydrophobicContact CB-CE1 4.19Å; F178-Y186 HydrophobicContact CD2-CE1 4.48Å; F178-Y186 AromaticContact CD2-CE2 3.73Å; F178-Y186 HydrophobicContact CD2-CE2 3.73Å; F178-Y186 AromaticContact CD2-CZ 3.71Å; F178-Y186 HydrophobicContact CE2-CE2 4.21Å; D184-Y186 HydrophobicContact CB-CE2 3.84Å; Y186-H202 CarbonylContact O-C 3.59Å; Y186-W203 AromaticContact CD2-CE3 3.64Å; Y186-W203 HydrophobicContact CD2-CE3 3.64Å; Y186-W203 AromaticContact CD2-CZ3 3.72Å; Y186-W203 HydrophobicContact CD2-CZ3 3.72Å; Y186-W203 HydrophobicContact CE2-CE3 4.4Å; Y186-W203 HydrophobicContact CE2-CZ3 4.02Å; Y186-W203 HydrophobicContact CG-CE3 4.37Å; Y186-W203 PolarHBondContact N-O 2.72Å; Y186-W203 PolarHBondContact O-N 2.91Å; Y186-W203 VanDerWaalsContact O-O 3.13Å
187	D	98.7	Very high	96.6	Very high	16 Å²	16	60.2 Å²	60.2	9%	0.086	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	134.8	171.4	-54	-77.7	0	0	0	109.4	L147 Y185 K201 H202	L147-D187 HydrophobicContact CB-CB 4.15Å; L147-D187 HydrophobicContact CD1-CB 4.26Å; L147-D187 HydrophobicContact CG-CB 4.5Å; L147-D187 PolarHBondContact N-O 2.99Å; L147-D187 PolarHBondContact O-N 3.41Å; Y185-D187 VanDerWaalsContact CE2-OD2 3.31Å; Y185-D187 WeakPolarHBondContact CE2-OD2 3.08Å; D187-K201 WeakPolarHBondContact CA-O 3.28Å; D187-H202 WeakPolarHBondContact OD1-CA 3.34Å; D187-H202 WeakPolarHBondContact OD1-CB 3.49Å; D187-H202 IonicContact OD1-CG 2.75Å; D187-H202 IonicContact OD1-ND1 3.6Å; D187-H202 PolarHBondContact OD1-ND1 3.33Å
188	C	98.8	Very high	96.6	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	111.1	159.8	-177.5	0	0	0	0	108.1	V116 C132 V144 W146 R200 K201	V116-C188 HydrophobicContact CG2-CB 3.55Å; C132-C188 HydrophobicContact CB-CB 3.64Å; C132-C188 WeakPolarHBondContact CB-SG 3.33Å; C132-C188 WeakPolarHBondContact SG-CB 3.48Å; C132-C188 CovalentContact SG-SG 2.03Å; C132-C188 PolarHBondContact SG-SG 2.81Å; V144-C188 VanDerWaalsContact CG1-SG 3.55Å; W146-C188 HydrophobicContact CE3-CB 4.18Å; W146-C188 HydrophobicContact CH2-CB 4.04Å; W146-C188 HydrophobicContact CZ3-CB 3.85Å; C188-R200 WeakPolarHBondContact O-CA 3.29Å; C188-K201 PolarHBondContact N-O 2.97Å; C188-K201 PolarHBondContact O-N 2.97Å
189	E	98.7	Very high	96.6	Very high	37 Å²	37	60.9 Å²	60.9	17%	0.173	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	122.8	173.6	-175.9	176.9	84.3	0	0	109.3	V144 T145 L147 P198 L199 R200	V144-E189 CarbonylContact C-O 3.6Å; V144-E189 WeakPolarHBondContact CA-O 3.48Å; T145-E189 PolarHBondContact N-O 2.81Å; T145-E189 PolarHBondContact O-N 2.84Å; L147-E189 HydrophobicContact CD1-CB 4.47Å; E189-P198 HydrophobicContact CG-CB 3.68Å; E189-L199 CarbonylContact C-O 3.51Å; E189-L199 WeakPolarHBondContact CA-O 3.5Å; E189-R200 HydrophobicContact CB-CG 4.13Å; E189-R200 HydrophobicContact CG-CG 4.01Å; E189-R200 IonicContact OE2-CZ 3.53Å; E189-R200 IonicContact OE2-NE 3.7Å; E189-R200 PolarHBondContact OE2-NE 3.24Å; E189-R200 IonicContact OE2-NH2 3.87Å; E189-R200 PolarHBondContact OE2-NH2 2.81Å
190	V	98.8	Very high	96.7	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	120.7	-177.7	-179.7	0	0	0	0	109.3	P112 V114 I134 N143 V144 P198 L199	P112-V190 HydrophobicContact CG-CG1 4.12Å; V114-V190 HydrophobicContact CG1-CG2 3.95Å; V114-V190 HydrophobicContact CG2-CB 4.1Å; V114-V190 HydrophobicContact CG2-CG1 4.25Å; V114-V190 HydrophobicContact CG2-CG2 3.87Å; I134-V190 HydrophobicContact CD1-CG1 4.21Å; I134-V190 HydrophobicContact CD1-CG2 3.84Å; I134-V190 HydrophobicContact CG1-CG2 4.09Å; I134-V190 HydrophobicContact CG2-CG1 4.32Å; N143-V190 WeakPolarHBondContact O-CA 3.4Å; V144-V190 HydrophobicContact CG1-CG2 4.2Å; V190-P198 CarbonylContact O-C 3.57Å; V190-P198 WeakPolarHBondContact O-CA 3.41Å; V190-L199 PolarHBondContact N-O 3.14Å; V190-L199 PolarHBondContact O-N 2.8Å
191	D	98.2	Very high	96.8	Very high	67 Å²	67	67.2 Å²	67.2	36%	0.358	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	132.7	175	-177.6	29.2	0	0	0	109.9	V142 N143 P198	V142-D191 WeakPolarHBondContact CA-O 3.21Å; N143-D191 HydrophobicContact CB-CB 4.26Å; N143-D191 PolarHBondContact N-O 2.71Å; N143-D191 PolarHBondContact O-N 2.92Å; D191-P198 HydrophobicContact CB-CB 4.27Å; D191-P198 HydrophobicContact CB-CG 4.23Å
192	H	97.6	Very high	97.1	Very high	2 Å²	2	70.2 Å²	70.2	1%	0.009	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	147.2	-174.4	178.3	-96.4	0	0	0	109.3	V110 P112 S138 P139 A141 V142 G194 L195	V110-H192 PolarHBondContact O-CE1 2.86Å; P112-H192 HydrophobicContact CG-CB 4.09Å; S138-H192 PolarHBondContact O-CE1 3.36Å; S138-H192 PolarHBondContact O-NE2 3.16Å; P139-H192 PolarHBondContact O-NE2 3.11Å; A141-H192 PolarHBondContact O-CD2 3.23Å; A141-H192 VanDerWaalsContact O-CD2 3.23Å; V142-H192 HydrophobicContact CG1-CB 4.25Å; H192-G194 PolarHBondContact ND1-N 2.94Å; H192-G194 PolarHBondContact O-N 2.87Å; H192-L195 HydrophobicContact CB-CD1 4.05Å; H192-L195 HydrophobicContact CB-CG 4.3Å; H192-L195 WeakPolarHBondContact O-CB 3.15Å; H192-L195 PolarHBondContact O-N 2.94Å
193	W	93.3	Very high	97.2	Very high	124 Å²	124	67.3 Å²	67.3	47%	0.47	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-18.8	-173.8	-56.3	-19	0	0	0	115.3	L39 D42 N109 P139 A141 L195	L39-W193 HydrophobicContact CD2-CH2 3.81Å; L39-W193 HydrophobicContact CD2-CZ3 4.38Å; D42-W193 WeakPolarHBondContact OD2-CH2 3.3Å; D42-W193 WeakPolarHBondContact OD2-CZ2 3.41Å; N109-W193 PolarHBondContact ND2-O 2.8Å; P139-W193 HydrophobicContact CB-CE3 4.49Å; P139-W193 HydrophobicContact CB-CZ3 4.19Å; P139-W193 HydrophobicContact CG-CD2 4.18Å; P139-W193 HydrophobicContact CG-CE3 3.2Å; P139-W193 HydrophobicContact CG-CH2 4.29Å; P139-W193 HydrophobicContact CG-CZ3 3.27Å; A141-W193 HydrophobicContact CB-CD2 4.33Å; A141-W193 HydrophobicContact CB-CH2 3.83Å; A141-W193 HydrophobicContact CB-CZ2 3.51Å; A141-W193 HydrophobicContact CB-CZ3 4.36Å; W193-L195 VanDerWaalsContact C-N 3.32Å
194	G	94	Very high	97.3	Very high	27 Å²	27	64.3 Å²	64.3	28%	0.278	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-11.6	173.2	0	0	0	0	0	114.1	I111 H192	I111-G194 VanDerWaalsContact CG2-C 3.49Å; I111-G194 WeakPolarHBondContact CG2-O 3.31Å; H192-G194 PolarHBondContact ND1-N 2.94Å; H192-G194 PolarHBondContact O-N 2.87Å
195	L	97.2	Very high	97.2	Very high	39 Å²	39	66 Å²	66	20%	0.204	31%	0.307	C	S	.	.			trans	-96.4	137.4	-177.7	-63.8	172	0	0	0	110.8	I111 P112 H192 W193 E197 L199	I111-L195 HydrophobicContact CB-CD2 4.11Å; I111-L195 HydrophobicContact CG2-CD2 3.95Å; I111-L195 HydrophobicContact CG2-CG 4.38Å; P112-L195 HydrophobicContact CG-CD1 4.23Å; H192-L195 HydrophobicContact CB-CD1 4.05Å; H192-L195 HydrophobicContact CB-CG 4.3Å; H192-L195 WeakPolarHBondContact O-CB 3.15Å; H192-L195 PolarHBondContact O-N 2.94Å; W193-L195 VanDerWaalsContact C-N 3.32Å; L195-E197 WeakPolarHBondContact CB-O 3.16Å; L195-L199 HydrophobicContact CD1-CB 3.95Å
196	E	96.2	Very high	96.6	Very high	202 Å²	202	69.7 Å²	69.7	94%	0.944	33%	0.328	S	S	*	.	S	Bend	trans	-75	-34	171.3	-65.9	-177.7	175.4	0	0	111.6
197	E	97.1	Very high	95.3	Very high	159 Å²	159	76.4 Å²	76.4	74%	0.743	36%	0.359	S	S	*	.	S	Bend	trans	-137	149.4	176.4	-64.5	-174.5	171.3	0	0	109.9	L195 L199	L195-E197 WeakPolarHBondContact CB-O 3.16Å; E197-L199 PolarHBondContact O-N 2.82Å
198	P	97.6	Very high	93.6	Very high	60 Å²	60	84.8 Å²	84.8	39%	0.39	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-56.8	134.8	178.6	-25.4	34.4	0	0	0	112.7	E189 V190 D191	E189-P198 HydrophobicContact CG-CB 3.68Å; V190-P198 CarbonylContact O-C 3.57Å; V190-P198 WeakPolarHBondContact O-CA 3.41Å; D191-P198 HydrophobicContact CB-CB 4.27Å; D191-P198 HydrophobicContact CB-CG 4.23Å
199	L	97.8	Very high	91.3	Very high	51 Å²	51	90.6 Å²	90.6	27%	0.267	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	121.1	176.5	-178.9	65.3	0	0	0	109.8	V114 E189 V190 L195 E197	V114-L199 HydrophobicContact CB-CD2 3.85Å; V114-L199 HydrophobicContact CG2-CD2 3.61Å; E189-L199 CarbonylContact C-O 3.51Å; E189-L199 WeakPolarHBondContact CA-O 3.5Å; V190-L199 PolarHBondContact N-O 3.14Å; V190-L199 PolarHBondContact O-N 2.8Å; L195-L199 HydrophobicContact CD1-CB 3.95Å; E197-L199 PolarHBondContact O-N 2.82Å
200	R	98.1	Very high	89.1	Confident	156 Å²	156	96.3 Å²	96.3	59%	0.589	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.2	128.8	173.7	-68.8	-177.5	-179.9	167.8	1.7	111.6	C188 E189	C188-R200 WeakPolarHBondContact O-CA 3.29Å; E189-R200 HydrophobicContact CB-CG 4.13Å; E189-R200 HydrophobicContact CG-CG 4.01Å; E189-R200 IonicContact OE2-CZ 3.53Å; E189-R200 IonicContact OE2-NE 3.7Å; E189-R200 PolarHBondContact OE2-NE 3.24Å; E189-R200 IonicContact OE2-NH2 3.87Å; E189-R200 PolarHBondContact OE2-NH2 2.81Å
201	K	98.4	Very high	86.7	Confident	79 Å²	79	103.1 Å²	103.1	34%	0.343	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	112.4	171.1	-68.4	-64.6	176.7	167.1	0	110.4	V114 V116 D187 C188	V114-K201 HydrophobicContact CB-CG 3.71Å; V114-K201 HydrophobicContact CG1-CB 4.18Å; V114-K201 HydrophobicContact CG1-CG 3.57Å; V114-K201 WeakPolarHBondContact O-CD 3.27Å; V114-K201 WeakPolarHBondContact O-CE 3.21Å; V116-K201 HydrophobicContact CB-CB 4.49Å; V116-K201 HydrophobicContact CG2-CB 3.6Å; D187-K201 WeakPolarHBondContact CA-O 3.28Å; C188-K201 PolarHBondContact N-O 2.97Å; C188-K201 PolarHBondContact O-N 2.97Å
202	H	98.1	Very high	84.4	Confident	93 Å²	93	103.3 Å²	103.3	43%	0.431	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	145.1	-177.3	-170.2	75.9	0	0	0	112	Y185 Y186 D187 E204	Y185-H202 VanDerWaalsContact CB-CE1 3.43Å; Y185-H202 WeakPolarHBondContact CB-CE1 3.44Å; Y185-H202 AromaticContact CD2-CE1 3.36Å; Y185-H202 WeakPolarHBondContact CD2-CE1 3.43Å; Y185-H202 AromaticContact CD2-ND1 3.79Å; Y185-H202 AromaticContact CG-CE1 3.54Å; Y186-H202 CarbonylContact O-C 3.59Å; D187-H202 WeakPolarHBondContact OD1-CA 3.34Å; D187-H202 WeakPolarHBondContact OD1-CB 3.49Å; D187-H202 IonicContact OD1-CG 2.75Å; D187-H202 IonicContact OD1-ND1 3.6Å; D187-H202 PolarHBondContact OD1-ND1 3.33Å; H202-E204 IonicContact NE2-OE2 2.92Å
203	W	97.9	Very high	82.4	Confident	29 Å²	29	110.3 Å²	110.3	11%	0.11	54%	0.535	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	129.6	169.5	-177.5	91.7	0	0	0	109.5	V116 V122 L130 F178 Y186 F205	V116-W203 HydrophobicContact CB-CB 4.44Å; V116-W203 HydrophobicContact CG1-CB 3.65Å; V116-W203 HydrophobicContact CG1-CG 4.09Å; V122-W203 HydrophobicContact CG1-CH2 4.39Å; V122-W203 HydrophobicContact CG1-CZ2 4.49Å; V122-W203 HydrophobicContact CG2-CH2 4.48Å; V122-W203 HydrophobicContact CG2-CZ2 3.86Å; L130-W203 HydrophobicContact CD1-CD2 4.13Å; L130-W203 HydrophobicContact CD1-CE3 3.74Å; L130-W203 HydrophobicContact CD1-CZ3 4.27Å; L130-W203 HydrophobicContact CD2-CD2 3.43Å; L130-W203 VanDerWaalsContact CD2-CD2 3.43Å; L130-W203 HydrophobicContact CD2-CE3 3.8Å; L130-W203 HydrophobicContact CD2-CG 3.74Å; L130-W203 HydrophobicContact CD2-CH2 4.46Å; L130-W203 HydrophobicContact CD2-CZ2 4.13Å; L130-W203 HydrophobicContact CD2-CZ3 4.31Å; L130-W203 HydrophobicContact CG-CD2 4.41Å; L130-W203 HydrophobicContact CG-CE3 4.35Å; F178-W203 HydrophobicContact CD2-CZ3 4.35Å; F178-W203 HydrophobicContact CE2-CE3 4.47Å; F178-W203 AromaticContact CE2-CH2 3.42Å; F178-W203 HydrophobicContact CE2-CH2 3.42Å; F178-W203 VanDerWaalsContact CE2-CH2 3.42Å; F178-W203 HydrophobicContact CE2-CZ2 4.42Å; F178-W203 AromaticContact CE2-CZ3 3.45Å; F178-W203 HydrophobicContact CE2-CZ3 3.45Å; F178-W203 VanDerWaalsContact CE2-CZ3 3.45Å; F178-W203 AromaticContact CZ-CH2 3.53Å; F178-W203 HydrophobicContact CZ-CH2 3.53Å; F178-W203 HydrophobicContact CZ-CZ2 4.12Å; F178-W203 AromaticContact CZ-CZ3 3.88Å; F178-W203 HydrophobicContact CZ-CZ3 3.88Å; Y186-W203 AromaticContact CD2-CE3 3.64Å; Y186-W203 HydrophobicContact CD2-CE3 3.64Å; Y186-W203 AromaticContact CD2-CZ3 3.72Å; Y186-W203 HydrophobicContact CD2-CZ3 3.72Å; Y186-W203 HydrophobicContact CE2-CE3 4.4Å; Y186-W203 HydrophobicContact CE2-CZ3 4.02Å; Y186-W203 HydrophobicContact CG-CE3 4.37Å; Y186-W203 PolarHBondContact N-O 2.72Å; Y186-W203 PolarHBondContact O-N 2.91Å; Y186-W203 VanDerWaalsContact O-O 3.13Å; W203-F205 HydrophobicContact CH2-CB 4.34Å
204	E	95.8	Very high	80.7	Confident	104 Å²	104	108.4 Å²	108.4	49%	0.486	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	157.9	170.9	61.5	-179.7	-176.9	0	0	109.4	H202 E206	H202-E204 IonicContact NE2-OE2 2.92Å; E204-E206 PolarHBondContact O-N 2.85Å; E204-E206 VanDerWaalsContact O-N 3.12Å
205	F	92.9	Very high	79.1	Confident	52 Å²	52	114.3 Å²	114.3	23%	0.228	56%	0.555	C	S	.	*			trans	-74.3	105.5	174.6	179.5	-97.9	0	0	0	109.5	V122 L124 V182 W203 E207	V122-F205 HydrophobicContact CB-CD2 4.09Å; V122-F205 HydrophobicContact CB-CE2 4.14Å; V122-F205 HydrophobicContact CG1-CD2 3.53Å; V122-F205 HydrophobicContact CG1-CE2 3.83Å; L124-F205 HydrophobicContact CD1-CE1 4.3Å; L124-F205 HydrophobicContact CD2-CD1 3.99Å; L124-F205 HydrophobicContact CD2-CD2 4.42Å; L124-F205 HydrophobicContact CD2-CE1 4.02Å; L124-F205 HydrophobicContact CD2-CE2 4.45Å; L124-F205 HydrophobicContact CD2-CG 4.17Å; L124-F205 HydrophobicContact CD2-CZ 4.24Å; L124-F205 HydrophobicContact CG-CE1 4.24Å; L124-F205 HydrophobicContact CG-CZ 4.24Å; V182-F205 HydrophobicContact CG1-CD1 3.88Å; V182-F205 HydrophobicContact CG1-CE1 4.2Å; W203-F205 HydrophobicContact CH2-CB 4.34Å; F205-E207 HydrophobicContact CE1-CB 4.25Å; F205-E207 PolarHBondContact O-N 3.45Å
206	E	84.1	Confident	77.6	Confident	162 Å²	162	119.8 Å²	119.8	76%	0.757	58%	0.579	S	S	*	*			trans	-74.8	107.5	167.5	-68.7	-177.8	-174.1	0	0	109	E204 K208	E204-E206 PolarHBondContact O-N 2.85Å; E204-E206 VanDerWaalsContact O-N 3.12Å; E206-K208 PolarHBondContact O-N 2.75Å; E206-K208 VanDerWaalsContact O-N 3.07Å
207	E	72	Confident	76.3	Confident	146 Å²	146	114.4 Å²	114.4	68%	0.682	56%	0.557	S	S	*	*			trans	-57	120.5	165.4	-168.4	173	-154.1	0	0	106.6	F205 T209	F205-E207 HydrophobicContact CE1-CB 4.25Å; F205-E207 PolarHBondContact O-N 3.45Å; E207-T209 PolarHBondContact O-N 2.9Å
208	K	63.1	Low	75.3	Confident	192 Å²	192	110.8 Å²	110.8	84%	0.835	55%	0.546	S	S	*	.			trans	-56.6	98.8	170.2	-73.8	-179.5	-178.3	173.8	0	105.7	E206 L210	E206-K208 PolarHBondContact O-N 2.75Å; E206-K208 VanDerWaalsContact O-N 3.07Å; K208-L210 PolarHBondContact O-N 3.38Å
209	T	50.9	Low	74.5	Confident	122 Å²	122	113.9 Å²	113.9	75%	0.748	56%	0.559	S	S	*	*			trans	-62.3	98.3	166.7	42.7	0	0	0	0	104.2	E207 L211	E207-T209 PolarHBondContact O-N 2.9Å; T209-L211 PolarHBondContact O-N 2.96Å
210	L	51.3	Low	73.7	Confident	156 Å²	156	115.3 Å²	115.3	82%	0.817	57%	0.572	S	S	*	*			trans	-54.9	96.5	157	-67.2	169.1	0	0	0	102.7	K208 P212	K208-L210 PolarHBondContact O-N 3.38Å; L210-P212 WeakPolarHBondContact O-CA 3.26Å
211	L	49.9	Very low	73.2	Confident	143 Å²	143	111.7 Å²	111.7	75%	0.749	57%	0.567	S	S	*	*			trans	-41.4	117.3	162.5	-83.6	166.7	0	0	0	103.8	T209 E213	T209-L211 PolarHBondContact O-N 2.96Å; L211-E213 PolarHBondContact O-N 3.31Å
212	P	49.9	Very low	72.7	Confident	72 Å²	72	112.9 Å²	112.9	47%	0.468	58%	0.577	S	S	.	*			trans	-62.3	121.6	-163.4	26.3	-34.7	0	0	0	104.6	L210 T214 K215	L210-P212 WeakPolarHBondContact O-CA 3.26Å; P212-T214 HydrophobicContact CB-CG2 4.15Å; P212-T214 VanDerWaalsContact CB-OG1 3.24Å; P212-T214 WeakPolarHBondContact CB-OG1 3.2Å; P212-T214 WeakPolarHBondContact CG-OG1 3.43Å; P212-T214 PolarHBondContact O-N 2.76Å; P212-T214 PolarHBondContact O-OG1 3.3Å; P212-K215 PolarHBondContact O-N 3.36Å
213	E	55.6	Low	72.2	Confident	149 Å²	149	110.6 Å²	110.6	70%	0.696	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-45.9	-16.7	174.1	-82.5	-175.6	139.9	0	0	111.3	L211 K215 E216 N217	L211-E213 PolarHBondContact O-N 3.31Å; E213-K215 VanDerWaalsContact C-N 3.33Å; E213-K215 PolarHBondContact O-N 3.48Å; E213-E216 PolarHBondContact O-N 3.38Å; E213-N217 WeakPolarHBondContact O-CB 3.2Å; E213-N217 VanDerWaalsContact O-CG 3.25Å; E213-N217 PolarHBondContact O-N 2.8Å; E213-N217 PolarHBondContact O-ND2 3.45Å
214	T	57.1	Low	72	Confident	83 Å²	83	114.4 Å²	114.4	51%	0.509	60%	0.6	S	S	.	*	H	α-helix	trans	-50.6	-37.7	169.9	66.3	0	0	0	0	114.7	P212 V218	P212-T214 HydrophobicContact CB-CG2 4.15Å; P212-T214 VanDerWaalsContact CB-OG1 3.24Å; P212-T214 WeakPolarHBondContact CB-OG1 3.2Å; P212-T214 WeakPolarHBondContact CG-OG1 3.43Å; P212-T214 PolarHBondContact O-N 2.76Å; P212-T214 PolarHBondContact O-OG1 3.3Å; T214-V218 WeakPolarHBondContact O-CB 3.28Å; T214-V218 WeakPolarHBondContact O-CG2 3.39Å; T214-V218 PolarHBondContact O-N 3.13Å
215	K	60.6	Low	71.9	Confident	152 Å²	152	116.1 Å²	116.1	66%	0.661	61%	0.606	S	S	*	*	H	α-helix	trans	-70.8	-44.6	-179.8	-73.9	-170.6	-177.5	177.2	0	112.3	P212 E213 L219	P212-K215 PolarHBondContact O-N 3.36Å; E213-K215 VanDerWaalsContact C-N 3.33Å; E213-K215 PolarHBondContact O-N 3.48Å; K215-L219 WeakPolarHBondContact O-CB 3.28Å; K215-L219 PolarHBondContact O-N 3.03Å
216	E	64.9	Low	71.9	Confident	153 Å²	153	118.7 Å²	118.7	72%	0.715	63%	0.626	S	S	*	*	H	α-helix	trans	-69.8	-41	175.6	-78.9	-170.9	145.8	0	0	111.9	E213 V218 L219 C220	E213-E216 PolarHBondContact O-N 3.38Å; E216-V218 VanDerWaalsContact C-N 3.35Å; E216-V218 PolarHBondContact O-N 3.27Å; E216-L219 PolarHBondContact O-N 3.44Å; E216-C220 VanDerWaalsContact O-CB 3.3Å; E216-C220 WeakPolarHBondContact O-CB 3.31Å; E216-C220 PolarHBondContact O-N 3.11Å
217	N	70.1	Confident	72.3	Confident	90 Å²	90	112.8 Å²	112.8	48%	0.481	61%	0.609	S	S	.	*	H	α-helix	trans	-64.5	-38.8	175.8	-75.6	-18.3	0	0	0	111.8	E213 C220 V221	E213-N217 WeakPolarHBondContact O-CB 3.2Å; E213-N217 VanDerWaalsContact O-CG 3.25Å; E213-N217 PolarHBondContact O-N 2.8Å; E213-N217 PolarHBondContact O-ND2 3.45Å; N217-C220 PolarHBondContact O-N 3.31Å; N217-V221 WeakPolarHBondContact O-CB 3.44Å; N217-V221 WeakPolarHBondContact O-CG2 3.31Å; N217-V221 PolarHBondContact O-N 3.33Å
218	V	75.1	Confident	73.3	Confident	83 Å²	83	110.7 Å²	110.7	50%	0.503	60%	0.601	S	S	.	*	H	α-helix	trans	-66.1	-42.9	175.1	167.5	0	0	0	0	111	T214 E216 V221 L222	T214-V218 WeakPolarHBondContact O-CB 3.28Å; T214-V218 WeakPolarHBondContact O-CG2 3.39Å; T214-V218 PolarHBondContact O-N 3.13Å; E216-V218 VanDerWaalsContact C-N 3.35Å; E216-V218 PolarHBondContact O-N 3.27Å; V218-V221 PolarHBondContact O-N 3.04Å; V218-L222 HydrophobicContact CG1-CD1 3.7Å; V218-L222 HydrophobicContact CG1-CG 4.4Å; V218-L222 VanDerWaalsContact O-CB 3.29Å; V218-L222 WeakPolarHBondContact O-CB 3.39Å; V218-L222 WeakPolarHBondContact O-CD1 3.24Å; V218-L222 VanDerWaalsContact O-CG 3.24Å; V218-L222 WeakPolarHBondContact O-CG 3.38Å; V218-L222 PolarHBondContact O-N 3.07Å
219	L	80.4	Confident	74.8	Confident	125 Å²	125	105.8 Å²	105.8	65%	0.654	59%	0.587	S	S	*	*	H	α-helix	trans	-61.6	-42.1	174.4	-88.8	155.3	0	0	0	112.1	K215 E216 G223	K215-L219 WeakPolarHBondContact O-CB 3.28Å; K215-L219 PolarHBondContact O-N 3.03Å; E216-L219 PolarHBondContact O-N 3.44Å; L219-G223 PolarHBondContact O-N 3.24Å
220	C	82	Confident	76.8	Confident	81 Å²	81	102.1 Å²	102.1	55%	0.547	57%	0.574	S	S	.	*	H	α-helix	trans	-67.7	-44.1	179.5	-162.5	0	0	0	0	111.8	E216 N217 G223 L224	E216-C220 VanDerWaalsContact O-CB 3.3Å; E216-C220 WeakPolarHBondContact O-CB 3.31Å; E216-C220 PolarHBondContact O-N 3.11Å; N217-C220 PolarHBondContact O-N 3.31Å; C220-G223 PolarHBondContact O-N 3.2Å; C220-L224 WeakPolarHBondContact O-CB 3.13Å; C220-L224 PolarHBondContact O-N 3.06Å
221	V	86.6	Confident	78.8	Confident	80 Å²	80	99.6 Å²	99.6	49%	0.485	56%	0.56	S	S	.	*	H	α-helix	trans	-64.2	-45.1	175.9	171	0	0	0	0	111	N217 V218 G223 L224 F225	N217-V221 WeakPolarHBondContact O-CB 3.44Å; N217-V221 WeakPolarHBondContact O-CG2 3.31Å; N217-V221 PolarHBondContact O-N 3.33Å; V218-V221 PolarHBondContact O-N 3.04Å; V221-G223 VanDerWaalsContact C-N 3.34Å; V221-G223 PolarHBondContact O-N 2.92Å; V221-L224 PolarHBondContact O-N 2.8Å; V221-F225 HydrophobicContact CG1-CD2 4.02Å; V221-F225 HydrophobicContact CG1-CE2 4.15Å; V221-F225 WeakPolarHBondContact O-CD2 3.47Å; V221-F225 PolarHBondContact O-N 3.45Å
222	L	87.9	Confident	80.9	Confident	104 Å²	104	96.9 Å²	96.9	55%	0.545	55%	0.549	S	S	.	.	H	α-helix	trans	-61.3	-42.6	175.3	-76.2	166.3	0	0	0	111.6	V218 L224 F225 V226	V218-L222 HydrophobicContact CG1-CD1 3.7Å; V218-L222 HydrophobicContact CG1-CG 4.4Å; V218-L222 VanDerWaalsContact O-CB 3.29Å; V218-L222 WeakPolarHBondContact O-CB 3.39Å; V218-L222 WeakPolarHBondContact O-CD1 3.24Å; V218-L222 VanDerWaalsContact O-CG 3.24Å; V218-L222 WeakPolarHBondContact O-CG 3.38Å; V218-L222 PolarHBondContact O-N 3.07Å; L222-L224 PolarHBondContact O-N 2.97Å; L222-F225 PolarHBondContact O-N 3.15Å; L222-V226 WeakPolarHBondContact O-CG2 3.45Å; L222-V226 PolarHBondContact O-N 2.79Å
223	G	88.9	Confident	83	Confident	45 Å²	45	97.2 Å²	97.2	46%	0.464	55%	0.55	S	S	.	.	H	α-helix	trans	-60.6	-42.9	175.6	0	0	0	0	0	112.9	L219 C220 V221 V226 G227	L219-G223 PolarHBondContact O-N 3.24Å; C220-G223 PolarHBondContact O-N 3.2Å; V221-G223 VanDerWaalsContact C-N 3.34Å; V221-G223 PolarHBondContact O-N 2.92Å; G223-V226 PolarHBondContact O-N 3.47Å; G223-G227 PolarHBondContact O-N 3.3Å
224	L	92.6	Very high	84.6	Confident	108 Å²	108	91.4 Å²	91.4	57%	0.565	53%	0.53	S	S	*	.	H	α-helix	trans	-61.6	-44.3	175.8	-106.1	156.8	0	0	0	112.4	C220 V221 L222 G227 L228	C220-L224 WeakPolarHBondContact O-CB 3.13Å; C220-L224 PolarHBondContact O-N 3.06Å; V221-L224 PolarHBondContact O-N 2.8Å; L222-L224 PolarHBondContact O-N 2.97Å; L224-G227 PolarHBondContact O-N 3.08Å; L224-L228 WeakPolarHBondContact O-CB 3.33Å; L224-L228 PolarHBondContact O-N 3.28Å
225	F	93.1	Very high	86.3	Confident	140 Å²	140	91.7 Å²	91.7	61%	0.614	53%	0.527	S	S	*	.	H	α-helix	trans	-62.2	-46.7	177.1	-96.8	-82	0	0	0	112.1	V221 L222 G227 L228 V229	V221-F225 HydrophobicContact CG1-CD2 4.02Å; V221-F225 HydrophobicContact CG1-CE2 4.15Å; V221-F225 WeakPolarHBondContact O-CD2 3.47Å; V221-F225 PolarHBondContact O-N 3.45Å; L222-F225 PolarHBondContact O-N 3.15Å; F225-G227 VanDerWaalsContact C-N 3.33Å; F225-G227 PolarHBondContact O-N 3.09Å; F225-L228 PolarHBondContact O-N 2.85Å; F225-V229 VanDerWaalsContact O-CG2 3.32Å; F225-V229 WeakPolarHBondContact O-CG2 3.33Å; F225-V229 PolarHBondContact O-N 3.08Å
226	V	93.6	Very high	87.7	Confident	107 Å²	107	87.9 Å²	87.9	65%	0.648	52%	0.517	S	S	*	.	H	α-helix	trans	-63.1	-41.6	178	175.1	0	0	0	0	110.8	L222 G223 V229 G230	L222-V226 WeakPolarHBondContact O-CG2 3.45Å; L222-V226 PolarHBondContact O-N 2.79Å; G223-V226 PolarHBondContact O-N 3.47Å; V226-V229 PolarHBondContact O-N 2.84Å; V226-G230 PolarHBondContact O-N 3.23Å
227	G	92.1	Very high	88.9	Confident	38 Å²	38	86 Å²	86	39%	0.392	51%	0.511	S	S	.	.	H	α-helix	trans	-60.5	-47.2	176.2	0	0	0	0	0	113	G223 L224 F225 V229 G230 I231	G223-G227 PolarHBondContact O-N 3.3Å; L224-G227 PolarHBondContact O-N 3.08Å; F225-G227 VanDerWaalsContact C-N 3.33Å; F225-G227 PolarHBondContact O-N 3.09Å; G227-V229 PolarHBondContact O-N 2.92Å; G227-G230 PolarHBondContact O-N 3.16Å; G227-I231 WeakPolarHBondContact O-CG1 3.41Å; G227-I231 PolarHBondContact O-N 3.48Å
228	L	94.5	Very high	89.8	Confident	101 Å²	101	87 Å²	87	53%	0.529	52%	0.515	S	S	.	.	H	α-helix	trans	-61	-44.8	177	-90.1	159.4	0	0	0	112.3	L224 F225 G230 I231 V232	L224-L228 WeakPolarHBondContact O-CB 3.33Å; L224-L228 PolarHBondContact O-N 3.28Å; F225-L228 PolarHBondContact O-N 2.85Å; L228-G230 VanDerWaalsContact C-N 3.32Å; L228-G230 PolarHBondContact O-N 3.24Å; L228-I231 PolarHBondContact O-N 3.47Å; L228-V232 WeakPolarHBondContact O-CG2 3.3Å; L228-V232 PolarHBondContact O-N 3.03Å; L228-V232 VanDerWaalsContact O-N 3.07Å
229	V	94	Very high	90.4	Very high	89 Å²	89	86.4 Å²	86.4	54%	0.539	51%	0.508	S	S	.	.	H	α-helix	trans	-61.5	-42.8	176.4	173	0	0	0	0	110.7	F225 V226 G227 I231 V232 V233	F225-V229 VanDerWaalsContact O-CG2 3.32Å; F225-V229 WeakPolarHBondContact O-CG2 3.33Å; F225-V229 PolarHBondContact O-N 3.08Å; V226-V229 PolarHBondContact O-N 2.84Å; G227-V229 PolarHBondContact O-N 2.92Å; V229-I231 PolarHBondContact O-N 3.02Å; V229-V232 PolarHBondContact O-N 3.05Å; V229-V233 HydrophobicContact CG1-CG2 4.37Å; V229-V233 VanDerWaalsContact O-CG2 3.32Å; V229-V233 WeakPolarHBondContact O-CG2 3.38Å; V229-V233 PolarHBondContact O-N 3.2Å
230	G	92.5	Very high	90.4	Very high	45 Å²	45	87.1 Å²	87.1	46%	0.464	51%	0.506	S	S	.	.	H	α-helix	trans	-58.8	-43.1	176.1	0	0	0	0	0	113.1	V226 G227 L228 V233 G234	V226-G230 PolarHBondContact O-N 3.23Å; G227-G230 PolarHBondContact O-N 3.16Å; L228-G230 VanDerWaalsContact C-N 3.32Å; L228-G230 PolarHBondContact O-N 3.24Å; G230-V233 PolarHBondContact O-N 3.1Å; G230-G234 PolarHBondContact O-N 3.05Å
231	I	94.1	Very high	90.3	Very high	103 Å²	103	85 Å²	85	53%	0.528	50%	0.499	S	S	.	.	H	α-helix	trans	-62.9	-47.8	177.2	-68.3	166.3	0	0	0	110.9	G227 L228 V229 V233 G234 I235	G227-I231 WeakPolarHBondContact O-CG1 3.41Å; G227-I231 PolarHBondContact O-N 3.48Å; L228-I231 PolarHBondContact O-N 3.47Å; V229-I231 PolarHBondContact O-N 3.02Å; I231-V233 PolarHBondContact O-N 3.32Å; I231-G234 PolarHBondContact O-N 2.83Å; I231-I235 HydrophobicContact CG2-CD1 3.78Å; I231-I235 HydrophobicContact CG2-CG1 4.42Å; I231-I235 WeakPolarHBondContact O-CG1 3.27Å; I231-I235 PolarHBondContact O-N 2.8Å
232	V	93.6	Very high	89.8	Confident	87 Å²	87	85.6 Å²	85.6	53%	0.527	50%	0.498	S	S	.	.	H	α-helix	trans	-60.6	-46.2	180	173.4	0	0	0	0	110.7	L228 V229 G234 I235 V236	L228-V232 WeakPolarHBondContact O-CG2 3.3Å; L228-V232 PolarHBondContact O-N 3.03Å; L228-V232 VanDerWaalsContact O-N 3.07Å; V229-V232 PolarHBondContact O-N 3.05Å; V232-G234 PolarHBondContact O-N 3.44Å; V232-I235 PolarHBondContact O-N 3.48Å; V232-V236 WeakPolarHBondContact O-CG2 3.46Å; V232-V236 PolarHBondContact O-N 2.82Å
233	V	92.9	Very high	89.2	Confident	78 Å²	78	89.5 Å²	89.5	47%	0.473	51%	0.506	S	S	.	.	H	α-helix	trans	-62.2	-43.7	177.1	173.5	0	0	0	0	111	V229 G230 I231 I235 V236 L237	V229-V233 HydrophobicContact CG1-CG2 4.37Å; V229-V233 VanDerWaalsContact O-CG2 3.32Å; V229-V233 WeakPolarHBondContact O-CG2 3.38Å; V229-V233 PolarHBondContact O-N 3.2Å; G230-V233 PolarHBondContact O-N 3.1Å; I231-V233 PolarHBondContact O-N 3.32Å; V233-I235 PolarHBondContact O-N 2.91Å; V233-V236 PolarHBondContact O-N 2.91Å; V233-L237 HydrophobicContact CG1-CD1 4.07Å; V233-L237 HydrophobicContact CG1-CG 4.45Å; V233-L237 WeakPolarHBondContact O-CG 3.37Å; V233-L237 PolarHBondContact O-N 3.05Å
234	G	90.6	Very high	88.4	Confident	27 Å²	27	95.1 Å²	95.1	28%	0.278	52%	0.517	S	S	.	.	H	α-helix	trans	-58.9	-46.4	176.9	0	0	0	0	0	112.7	G230 I231 V232 V236 L237 I238	G230-G234 PolarHBondContact O-N 3.05Å; I231-G234 PolarHBondContact O-N 2.83Å; V232-G234 PolarHBondContact O-N 3.44Å; G234-V236 VanDerWaalsContact C-N 3.35Å; G234-V236 PolarHBondContact O-N 2.84Å; G234-L237 PolarHBondContact O-N 3.44Å; G234-I238 WeakPolarHBondContact O-CG1 3.39Å; G234-I238 PolarHBondContact O-N 3.34Å
235	I	92.3	Very high	87	Confident	90 Å²	90	97.7 Å²	97.7	46%	0.462	52%	0.52	S	S	.	.	H	α-helix	trans	-60.4	-44.6	176.5	-69.1	169.3	0	0	0	110.7	I231 V232 V233 L237 I238 I239	I231-I235 HydrophobicContact CG2-CD1 3.78Å; I231-I235 HydrophobicContact CG2-CG1 4.42Å; I231-I235 WeakPolarHBondContact O-CG1 3.27Å; I231-I235 PolarHBondContact O-N 2.8Å; V232-I235 PolarHBondContact O-N 3.48Å; V233-I235 PolarHBondContact O-N 2.91Å; I235-L237 VanDerWaalsContact C-N 3.33Å; I235-L237 PolarHBondContact O-N 3.2Å; I235-I238 PolarHBondContact O-N 3.16Å; I235-I239 HydrophobicContact CG2-CD1 3.66Å; I235-I239 HydrophobicContact CG2-CG1 4.31Å; I235-I239 WeakPolarHBondContact O-CB 3.32Å; I235-I239 VanDerWaalsContact O-CG1 3.28Å; I235-I239 WeakPolarHBondContact O-CG1 3.4Å; I235-I239 PolarHBondContact O-N 3.25Å
236	V	90.5	Very high	85.5	Confident	72 Å²	72	95.1 Å²	95.1	44%	0.436	51%	0.512	S	S	.	.	H	α-helix	trans	-61.9	-41.5	178.4	171	0	0	0	0	111.5	V232 V233 G234 K240	V232-V236 WeakPolarHBondContact O-CG2 3.46Å; V232-V236 PolarHBondContact O-N 2.82Å; V233-V236 PolarHBondContact O-N 2.91Å; G234-V236 VanDerWaalsContact C-N 3.35Å; G234-V236 PolarHBondContact O-N 2.84Å; V236-K240 WeakPolarHBondContact O-CB 3.49Å; V236-K240 PolarHBondContact O-N 3.48Å
237	L	88.9	Confident	83.9	Confident	114 Å²	114	92.6 Å²	92.6	60%	0.597	50%	0.503	S	S	*	.	H	α-helix	trans	-66.2	-42.2	177.1	-69.6	173.5	0	0	0	111.9	V233 G234 I235 K240 G241	V233-L237 HydrophobicContact CG1-CD1 4.07Å; V233-L237 HydrophobicContact CG1-CG 4.45Å; V233-L237 WeakPolarHBondContact O-CG 3.37Å; V233-L237 PolarHBondContact O-N 3.05Å; G234-L237 PolarHBondContact O-N 3.44Å; I235-L237 VanDerWaalsContact C-N 3.33Å; I235-L237 PolarHBondContact O-N 3.2Å; L237-K240 PolarHBondContact O-N 3.18Å; L237-G241 PolarHBondContact O-N 3.12Å
238	I	89.3	Confident	82.3	Confident	109 Å²	109	94.7 Å²	94.7	56%	0.559	51%	0.508	S	S	*	.	H	α-helix	trans	-62.5	-47.4	175.6	-68.9	165.8	0	0	0	110.5	G234 I235 K240 G241 L242	G234-I238 WeakPolarHBondContact O-CG1 3.39Å; G234-I238 PolarHBondContact O-N 3.34Å; I235-I238 PolarHBondContact O-N 3.16Å; I238-K240 VanDerWaalsContact C-N 3.34Å; I238-K240 PolarHBondContact O-N 3.45Å; I238-G241 PolarHBondContact O-N 3.34Å; I238-G241 VanDerWaalsContact O-N 3.15Å; I238-L242 HydrophobicContact CG2-CD1 3.75Å; I238-L242 HydrophobicContact CG2-CG 4.25Å; I238-L242 WeakPolarHBondContact O-CB 3.46Å; I238-L242 WeakPolarHBondContact O-CG 3.28Å; I238-L242 PolarHBondContact O-N 3.09Å
239	I	87.7	Confident	80.6	Confident	72 Å²	72	94.5 Å²	94.5	37%	0.369	50%	0.504	S	S	.	.	H	α-helix	trans	-61	-43.3	177.9	-68.4	169.9	0	0	0	110.8	I235 G241 L242 R243	I235-I239 HydrophobicContact CG2-CD1 3.66Å; I235-I239 HydrophobicContact CG2-CG1 4.31Å; I235-I239 WeakPolarHBondContact O-CB 3.32Å; I235-I239 VanDerWaalsContact O-CG1 3.28Å; I235-I239 WeakPolarHBondContact O-CG1 3.4Å; I235-I239 PolarHBondContact O-N 3.25Å; I239-G241 VanDerWaalsContact C-N 3.34Å; I239-L242 PolarHBondContact O-N 2.88Å; I239-R243 HydrophobicContact CG2-CG 4.4Å; I239-R243 WeakPolarHBondContact O-CB 3.32Å; I239-R243 VanDerWaalsContact O-CG 3.27Å; I239-R243 WeakPolarHBondContact O-CG 3.47Å; I239-R243 PolarHBondContact O-N 2.82Å
240	K	80.3	Confident	78.8	Confident	139 Å²	139	100.2 Å²	100.2	60%	0.604	52%	0.516	S	S	*	.	H	α-helix	trans	-62.9	-40.5	174.9	-86.6	-176.8	170.4	174.6	0	112	V236 L237 I238 K244	V236-K240 WeakPolarHBondContact O-CB 3.49Å; V236-K240 PolarHBondContact O-N 3.48Å; L237-K240 PolarHBondContact O-N 3.18Å; I238-K240 VanDerWaalsContact C-N 3.34Å; I238-K240 PolarHBondContact O-N 3.45Å; K240-K244 WeakPolarHBondContact O-CB 3.48Å; K240-K244 PolarHBondContact O-N 3.08Å
241	G	79.8	Confident	77	Confident	38 Å²	38	108.1 Å²	108.1	39%	0.392	53%	0.532	S	S	.	.	H	α-helix	trans	-62.7	-47.6	175.9	0	0	0	0	0	112.5	L237 I238 I239 K244 R245	L237-G241 PolarHBondContact O-N 3.12Å; I238-G241 PolarHBondContact O-N 3.34Å; I238-G241 VanDerWaalsContact O-N 3.15Å; I239-G241 VanDerWaalsContact C-N 3.34Å; G241-K244 PolarHBondContact O-N 3.22Å; G241-R245 WeakPolarHBondContact O-CB 3.49Å; G241-R245 PolarHBondContact O-N 3.42Å
242	L	77.4	Confident	75.1	Confident	92 Å²	92	110.2 Å²	110.2	48%	0.482	54%	0.539	S	S	.	.	H	α-helix	trans	-64.6	-40.8	176.9	-69.9	171.3	0	0	0	112	I238 I239 R245 N246	I238-L242 HydrophobicContact CG2-CD1 3.75Å; I238-L242 HydrophobicContact CG2-CG 4.25Å; I238-L242 WeakPolarHBondContact O-CB 3.46Å; I238-L242 WeakPolarHBondContact O-CG 3.28Å; I238-L242 PolarHBondContact O-N 3.09Å; I239-L242 PolarHBondContact O-N 2.88Å; L242-R245 PolarHBondContact O-N 3.47Å; L242-N246 WeakPolarHBondContact O-CB 3.4Å; L242-N246 PolarHBondContact O-N 3.12Å; L242-N246 PolarHBondContact O-OD1 3.19Å
243	R	74.5	Confident	73.1	Confident	185 Å²	185	109.4 Å²	109.4	70%	0.698	55%	0.549	S	S	*	.	H	α-helix	trans	-63.8	-40.1	173.8	-74.7	178.3	-177.7	-174.8	2.4	112.2	I239 A247	I239-R243 HydrophobicContact CG2-CG 4.4Å; I239-R243 WeakPolarHBondContact O-CB 3.32Å; I239-R243 VanDerWaalsContact O-CG 3.27Å; I239-R243 WeakPolarHBondContact O-CG 3.47Å; I239-R243 PolarHBondContact O-N 2.82Å; R243-A247 WeakPolarHBondContact O-CB 3.48Å; R243-A247 PolarHBondContact O-N 3.04Å
244	K	71.3	Confident	71.1	Confident	163 Å²	163	109.7 Å²	109.7	71%	0.709	56%	0.56	S	S	*	*	H	α-helix	trans	-63.4	-44.5	173.6	-105.4	-172.4	174.8	-175	0	111.6	K240 G241 A247 V248	K240-K244 WeakPolarHBondContact O-CB 3.48Å; K240-K244 PolarHBondContact O-N 3.08Å; G241-K244 PolarHBondContact O-N 3.22Å; K244-A247 PolarHBondContact O-N 3.03Å; K244-V248 VanDerWaalsContact O-CG2 3.32Å; K244-V248 WeakPolarHBondContact O-CG2 3.43Å; K244-V248 PolarHBondContact O-N 2.78Å
245	R	64.1	Low	68.9	Low	163 Å²	163	119 Å²	119	62%	0.615	60%	0.602	S	S	*	*	H	α-helix	trans	-65.3	-43.9	179.9	-168.2	176.4	161.7	167.4	-3	112.1	G241 L242 A247 V248 E249	G241-R245 WeakPolarHBondContact O-CB 3.49Å; G241-R245 PolarHBondContact O-N 3.42Å; L242-R245 PolarHBondContact O-N 3.47Å; R245-A247 VanDerWaalsContact C-N 3.29Å; R245-A247 PolarHBondContact O-N 2.98Å; R245-V248 PolarHBondContact O-N 3.45Å; R245-V248 VanDerWaalsContact O-N 3.09Å; R245-E249 IonicContact NE-OE1 2.92Å; R245-E249 PolarHBondContact NE-OE1 2.76Å; R245-E249 IonicContact NH2-OE1 3.65Å; R245-E249 PolarHBondContact O-N 3.2Å
246	N	61.8	Low	67.8	Low	85 Å²	85	120.5 Å²	120.5	46%	0.455	61%	0.609	S	S	.	*	H	α-helix	trans	-64.4	-32.2	174.2	-68.3	-4.9	0	0	0	112.6	L242 R250	L242-N246 WeakPolarHBondContact O-CB 3.4Å; L242-N246 PolarHBondContact O-N 3.12Å; L242-N246 PolarHBondContact O-OD1 3.19Å; N246-R250 WeakPolarHBondContact O-CB 3.49Å; N246-R250 WeakPolarHBondContact O-CG 3.43Å; N246-R250 PolarHBondContact O-N 2.99Å; N246-R250 VanDerWaalsContact O-N 3.13Å
247	A	60.4	Low	66.6	Low	55 Å²	55	123.1 Å²	123.1	46%	0.455	62%	0.618	S	S	.	*	H	α-helix	trans	-72.5	-27.8	173.7	0	0	0	0	0	113	R243 K244 R245	R243-A247 WeakPolarHBondContact O-CB 3.48Å; R243-A247 PolarHBondContact O-N 3.04Å; K244-A247 PolarHBondContact O-N 3.03Å; R245-A247 VanDerWaalsContact C-N 3.29Å; R245-A247 PolarHBondContact O-N 2.98Å
248	V	58.7	Low	65.3	Low	82 Å²	82	123.6 Å²	123.6	50%	0.497	62%	0.619	S	S	.	*	H	α-helix	trans	-78.4	-43.8	174.6	171.6	0	0	0	0	111.2	K244 R245 R250 R251 Q252	K244-V248 VanDerWaalsContact O-CG2 3.32Å; K244-V248 WeakPolarHBondContact O-CG2 3.43Å; K244-V248 PolarHBondContact O-N 2.78Å; R245-V248 PolarHBondContact O-N 3.45Å; R245-V248 VanDerWaalsContact O-N 3.09Å; V248-R250 PolarHBondContact O-N 2.83Å; V248-R251 WeakPolarHBondContact O-CB 3.25Å; V248-R251 PolarHBondContact O-N 3.06Å; V248-R251 VanDerWaalsContact O-N 3.07Å; V248-Q252 PolarHBondContact O-N 3Å
249	E	58.2	Low	63.9	Low	96 Å²	96	124.4 Å²	124.4	45%	0.449	62%	0.623	S	S	.	*	H	α-helix	trans	-64.4	-38.2	176.5	-78.4	171.5	-172.9	0	0	112	R245 R251 Q252 G253	R245-E249 IonicContact NE-OE1 2.92Å; R245-E249 PolarHBondContact NE-OE1 2.76Å; R245-E249 IonicContact NH2-OE1 3.65Å; R245-E249 PolarHBondContact O-N 3.2Å; E249-R251 PolarHBondContact O-N 3.2Å; E249-Q252 PolarHBondContact O-N 3.09Å; E249-Q252 VanDerWaalsContact O-N 3.15Å; E249-G253 PolarHBondContact O-N 3.37Å
250	R	56.1	Low	62.4	Low	210 Å²	210	127.7 Å²	127.7	79%	0.792	64%	0.639	S	S	*	*	H	α-helix	trans	-64.4	-24.4	171.6	-78.4	-172.1	-163.7	177.7	4.5	114.2	N246 V248	N246-R250 WeakPolarHBondContact O-CB 3.49Å; N246-R250 WeakPolarHBondContact O-CG 3.43Å; N246-R250 PolarHBondContact O-N 2.99Å; N246-R250 VanDerWaalsContact O-N 3.13Å; V248-R250 PolarHBondContact O-N 2.83Å
251	R	55.1	Low	61.2	Low	211 Å²	211	126.9 Å²	126.9	80%	0.796	64%	0.641	S	S	*	*	H	α-helix	trans	-81.2	-23	174.2	-80.1	-176.5	179.9	-173.1	-0.1	112.8	V248 E249	V248-R251 WeakPolarHBondContact O-CB 3.25Å; V248-R251 PolarHBondContact O-N 3.06Å; V248-R251 VanDerWaalsContact O-N 3.07Å; E249-R251 PolarHBondContact O-N 3.2Å
252	Q	54.6	Low	59.9	Low	146 Å²	146	133.3 Å²	133.3	68%	0.682	66%	0.659	S	S	*	*	H	α-helix	trans	-92.4	-22.8	178.9	-76.4	176.6	-27.3	0	0	113.6	V248 E249 A254	V248-Q252 PolarHBondContact O-N 3Å; E249-Q252 PolarHBondContact O-N 3.09Å; E249-Q252 VanDerWaalsContact O-N 3.15Å; Q252-A254 VanDerWaalsContact C-N 3.32Å
253	G	51.6	Low	58.6	Low	71 Å²	71	136.5 Å²	136.5	73%	0.732	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	10.6	173.6	0	0	0	0	0	115.7	E249	E249-G253 PolarHBondContact O-N 3.37Å
254	A	50.5	Low	57.2	Low	84 Å²	84	132.4 Å²	132.4	69%	0.694	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.8	23.4	-178.8	0	0	0	0	0	113.1	Q252	Q252-A254 VanDerWaalsContact C-N 3.32Å
255	L	44.5	Very low	56	Low	223 Å²	223	129.6 Å²	129.6	100%	1.168	67%	0.667	S	S	*	*			trans	-116.2	0	173	-95.6	156.7	0	0	0	110

Retrieved 255 of 255 residues in 183.7 ms (Link to these results)

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