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Coronin

Regulates leading edge dynamics and cell motility in fibroblasts. May be involved in cytokinesis and signal transduction.

AlphaFold DB , UniProt , Accession A0A087WW53, Species HUMAN (Homo sapiens, Human), Gene CORO1B, Length 260 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	46.8	Very low	71.5	Confident	234 Å²	234	169.9 Å²	169.9	100%	1.153	81%	0.814	S	S	*	*				0	119.1	0	-70.6	178.1	-169.5	0	0	107.9	F3	M1-F3 PolarHBondContact O-N 2.72Å
2	S	49.8	Very low	73.6	Confident	114 Å²	114	166.8 Å²	166.8	80%	0.797	79%	0.794	S	S	*	*			trans	-73.2	114.4	-178.4	179.4	0	0	0	0	109.5	R4	S2-R4 VanDerWaalsContact C-N 3.35Å; S2-R4 PolarHBondContact O-N 3.04Å
3	F	55.6	Low	75.2	Confident	199 Å²	199	166.5 Å²	166.5	87%	0.873	78%	0.78	S	S	*	*			trans	-66.1	96.3	168.8	-76	-88.4	0	0	0	107.9	M1 K5	M1-F3 PolarHBondContact O-N 2.72Å; F3-K5 PolarHBondContact O-N 2.86Å
4	R	57.1	Low	76.7	Confident	226 Å²	226	166.1 Å²	166.1	85%	0.853	78%	0.778	S	S	*	*			trans	-58.8	108	166.2	-79.8	-176.7	174	-178.9	-1.4	107	S2 V6	S2-R4 VanDerWaalsContact C-N 3.35Å; S2-R4 PolarHBondContact O-N 3.04Å; R4-V6 VanDerWaalsContact C-N 3.26Å; R4-V6 PolarHBondContact O-N 2.94Å
5	K	60.9	Low	78.1	Confident	197 Å²	197	162.4 Å²	162.4	86%	0.857	77%	0.771	S	S	*	*			trans	-59.9	94.5	165	-91.5	-179	174.6	176	0	107.1	F3 V7	F3-K5 PolarHBondContact O-N 2.86Å; K5-V7 VanDerWaalsContact C-N 3.32Å; K5-V7 PolarHBondContact O-N 3.13Å
6	V	69.6	Low	79.3	Confident	131 Å²	131	162.4 Å²	162.4	79%	0.794	77%	0.767	S	S	*	*			trans	-68.6	98.4	168	180	0	0	0	0	105.7	R4 R8	R4-V6 VanDerWaalsContact C-N 3.26Å; R4-V6 PolarHBondContact O-N 2.94Å; V6-R8 PolarHBondContact O-N 3.07Å; V6-R8 VanDerWaalsContact O-N 3.09Å
7	V	75.8	Confident	80.4	Confident	111 Å²	111	157.3 Å²	157.3	67%	0.673	77%	0.768	S	S	*	*			trans	-67.6	108.8	169	179.7	0	0	0	0	106	K5 Q9	K5-V7 VanDerWaalsContact C-N 3.32Å; K5-V7 PolarHBondContact O-N 3.13Å; V7-Q9 PolarHBondContact O-N 3.09Å
8	R	86.6	Confident	81.4	Confident	222 Å²	222	156.6 Å²	156.6	84%	0.838	76%	0.763	S	S	*	*			trans	-58.6	114.2	174	-177.7	179.5	175.6	-176.5	-1	108.1	V6 S10	V6-R8 PolarHBondContact O-N 3.07Å; V6-R8 VanDerWaalsContact O-N 3.09Å; R8-S10 PolarHBondContact O-N 3.48Å
9	Q	92.3	Very high	82.2	Confident	188 Å²	188	153.8 Å²	153.8	88%	0.879	76%	0.758	S	S	*	*			trans	-64.5	127.2	174.8	-70.5	-176	-11	0	0	109.1	V7	V7-Q9 PolarHBondContact O-N 3.09Å
10	S	95.1	Very high	83	Confident	61 Å²	61	150.2 Å²	150.2	43%	0.427	75%	0.745	S	S	.	*			trans	-144.2	128.7	174.5	174.8	0	0	0	0	108.8	R8 F12 R13	R8-S10 PolarHBondContact O-N 3.48Å; S10-F12 PolarHBondContact O-N 3.35Å; S10-F12 VanDerWaalsContact O-N 3.12Å; S10-F12 PolarHBondContact OG-N 3.2Å; S10-R13 WeakPolarHBondContact O-CB 2.98Å; S10-R13 PolarHBondContact O-N 2.89Å; S10-R13 VanDerWaalsContact O-N 3.15Å
11	K	97.1	Very high	83.7	Confident	186 Å²	186	150 Å²	150	81%	0.809	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	-15.4	173.5	69.4	-178.7	-174.3	178.8	0	113.2
12	F	96	Very high	85.9	Confident	132 Å²	132	144.7 Å²	144.7	58%	0.579	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	6.6	-180	-55.5	-68	0	0	0	113.6	S10 H14 V15	S10-F12 PolarHBondContact O-N 3.35Å; S10-F12 VanDerWaalsContact O-N 3.12Å; S10-F12 PolarHBondContact OG-N 3.2Å; F12-H14 PolarHBondContact O-N 3.12Å; F12-H14 VanDerWaalsContact O-N 3.09Å; F12-V15 HydrophobicContact CB-CG2 3.99Å; F12-V15 HydrophobicContact CD1-CG2 4.12Å; F12-V15 WeakPolarHBondContact O-CG2 3.48Å; F12-V15 PolarHBondContact O-N 2.81Å
13	R	94.9	Very high	88.1	Confident	163 Å²	163	144.4 Å²	144.4	62%	0.615	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.1	-27.6	-175	177.9	59.4	-174.2	87.8	-3.3	114	S10	S10-R13 WeakPolarHBondContact O-CB 2.98Å; S10-R13 PolarHBondContact O-N 2.89Å; S10-R13 VanDerWaalsContact O-N 3.15Å
14	H	95.8	Very high	90	Very high	161 Å²	161	139.5 Å²	139.5	75%	0.745	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.4	19	-174.6	-58.1	-70.6	0	0	0	113.3	F12 F16	F12-H14 PolarHBondContact O-N 3.12Å; F12-H14 VanDerWaalsContact O-N 3.09Å; H14-F16 PolarHBondContact O-N 3.07Å
15	V	97.8	Very high	92	Very high	111 Å²	111	130.8 Å²	130.8	67%	0.673	66%	0.658	S	S	*	*			trans	-63.5	132.5	170.3	174.5	0	0	0	0	108.9	F12	F12-V15 HydrophobicContact CB-CG2 3.99Å; F12-V15 HydrophobicContact CD1-CG2 4.12Å; F12-V15 WeakPolarHBondContact O-CG2 3.48Å; F12-V15 PolarHBondContact O-N 2.81Å
16	F	97.9	Very high	93.7	Very high	163 Å²	163	124.4 Å²	124.4	72%	0.715	63%	0.629	S	S	*	*			trans	-137.2	152	175.4	67.9	-84.7	0	0	0	110	H14 Q18	H14-F16 PolarHBondContact O-N 3.07Å; F16-Q18 HydrophobicContact CE2-CB 4.23Å
17	G	97.6	Very high	95.1	Very high	75 Å²	75	122.2 Å²	122.2	77%	0.773	61%	0.61	S	S	*	*			trans	-88.7	135.9	174.8	0	0	0	0	0	110.9
18	Q	97.9	Very high	96.1	Very high	145 Å²	145	120.6 Å²	120.6	68%	0.678	60%	0.598	S	S	*	*			trans	-124.6	113.2	174.1	178.4	59.4	57.9	0	0	108.4	F16	F16-Q18 HydrophobicContact CE2-CB 4.23Å
19	P	97.8	Very high	96.6	Very high	103 Å²	103	111.9 Å²	111.9	67%	0.669	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-65.3	147.7	171.6	27.9	-34	0	0	0	110.2
20	V	97.6	Very high	96.7	Very high	82 Å²	82	109.3 Å²	109.3	50%	0.497	55%	0.55	S	S	.	.	P	Polyproline II helix	trans	-72.2	168.1	171	-60.7	0	0	0	0	110.5	Q24	V20-Q24 HydrophobicContact CB-CB 3.86Å; V20-Q24 HydrophobicContact CG2-CB 3.83Å
21	K	97.2	Very high	96.8	Very high	147 Å²	147	109.8 Å²	109.8	64%	0.639	55%	0.55	S	S	*	*	P	Polyproline II helix	trans	-72.7	158.8	174.9	-63.9	177	-175.9	176.6	0	110.8	D23 Q24 C25	K21-D23 VanDerWaalsContact C-N 3.26Å; K21-D23 WeakPolarHBondContact CB-OD1 3.36Å; K21-D23 PolarHBondContact O-N 3.15Å; K21-Q24 HydrophobicContact CB-CG 4.48Å; K21-Q24 WeakPolarHBondContact O-CA 3.37Å; K21-Q24 WeakPolarHBondContact O-CB 3.32Å; K21-Q24 PolarHBondContact O-N 3.09Å; K21-C25 PolarHBondContact O-N 3.24Å
22	N	93.9	Very high	96.8	Very high	121 Å²	121	101.6 Å²	101.6	65%	0.647	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-58.8	-34.6	-177	-67.7	-1.6	0	0	0	113.4	Q24 C25	N22-Q24 PolarHBondContact O-N 3.45Å; N22-C25 WeakPolarHBondContact O-CB 3.47Å; N22-C25 PolarHBondContact O-N 2.75Å
23	D	94.9	Very high	96.8	Very high	108 Å²	108	105.1 Å²	105.1	58%	0.578	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-66.7	-13.9	175.4	61.5	-30.4	0	0	0	113.8	K21 T68	K21-D23 VanDerWaalsContact C-N 3.26Å; K21-D23 WeakPolarHBondContact CB-OD1 3.36Å; K21-D23 PolarHBondContact O-N 3.15Å; D23-T68 VanDerWaalsContact O-CB 3.31Å; D23-T68 WeakPolarHBondContact O-CB 3.32Å; D23-T68 PolarHBondContact O-OG1 3.28Å
24	Q	96.8	Very high	96.8	Very high	97 Å²	97	99.3 Å²	99.3	45%	0.453	51%	0.508	S	S	.	.	G	3₁₀ helix	trans	-101.9	-2.5	174	-52.6	-178.8	-86.2	0	0	112.6	V20 K21 N22 T68	V20-Q24 HydrophobicContact CB-CB 3.86Å; V20-Q24 HydrophobicContact CG2-CB 3.83Å; K21-Q24 HydrophobicContact CB-CG 4.48Å; K21-Q24 WeakPolarHBondContact O-CA 3.37Å; K21-Q24 WeakPolarHBondContact O-CB 3.32Å; K21-Q24 PolarHBondContact O-N 3.09Å; N22-Q24 PolarHBondContact O-N 3.45Å; Q24-T68 WeakPolarHBondContact O-CG2 3.5Å
25	C	98.1	Very high	96.8	Very high	42 Å²	42	98.1 Å²	98.1	28%	0.284	51%	0.513	S	S	.	.	S	Bend	trans	-85.3	169.9	174	-67.7	0	0	0	0	110.9	K21 N22 G69	K21-C25 PolarHBondContact O-N 3.24Å; N22-C25 WeakPolarHBondContact O-CB 3.47Å; N22-C25 PolarHBondContact O-N 2.75Å; C25-G69 PolarHBondContact O-N 3.01Å
26	Y	98.1	Very high	96.7	Very high	64 Å²	64	95.7 Å²	95.7	25%	0.251	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	116.2	170.6	-50.9	-93.7	0	0	0	108.2	L48 L63 L65 K67 T68	Y26-L48 HydrophobicContact CD1-CD2 4Å; Y26-L48 HydrophobicContact CD2-CD2 3.43Å; Y26-L48 VanDerWaalsContact CD2-CD2 3.43Å; Y26-L48 HydrophobicContact CE1-CD2 4.07Å; Y26-L48 HydrophobicContact CE2-CD2 3.55Å; Y26-L48 HydrophobicContact CG-CD2 3.66Å; Y26-L63 HydrophobicContact CD1-CD1 3.64Å; Y26-L63 HydrophobicContact CE1-CB 4.5Å; Y26-L63 HydrophobicContact CE1-CD1 4.23Å; Y26-L63 HydrophobicContact CG-CD1 4.33Å; Y26-L65 WeakPolarHBondContact OH-CA 3.34Å; Y26-L65 PolarHBondContact OH-O 3.08Å; Y26-L65 VanDerWaalsContact OH-O 3.09Å; Y26-K67 VanDerWaalsContact CD1-O 3.23Å; Y26-K67 WeakPolarHBondContact CD1-O 3.42Å; Y26-K67 WeakPolarHBondContact CE1-O 3.49Å; Y26-T68 HydrophobicContact CE1-CG2 4.16Å
27	E	97.3	Very high	96.4	Very high	84 Å²	84	92.8 Å²	92.8	39%	0.393	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	160.5	-171.6	-60.9	-177.2	-173.2	0	0	111.8	I29 G69 I71	E27-I29 VanDerWaalsContact C-N 3.26Å; E27-I29 PolarHBondContact O-N 3.36Å; E27-G69 PolarHBondContact N-O 3.3Å; E27-I71 PolarHBondContact O-N 3.18Å
28	D	96.6	Very high	96.1	Very high	78 Å²	78	90.5 Å²	90.5	42%	0.417	46%	0.455	S	S	.	.	S	Bend	trans	61.8	22	-179.5	-83.5	-2.2	0	0	0	115.7	R70	D28-R70 HydrophobicContact CB-CG 4.14Å; D28-R70 IonicContact OD2-CZ 2.72Å; D28-R70 VanDerWaalsContact OD2-CZ 3.23Å; D28-R70 IonicContact OD2-NE 2.88Å; D28-R70 PolarHBondContact OD2-NE 3.26Å; D28-R70 IonicContact OD2-NH2 3.23Å; D28-R70 PolarHBondContact OD2-NH2 3.12Å
29	I	97.1	Very high	96	Very high	39 Å²	39	88.8 Å²	88.8	20%	0.2	46%	0.455	C	S	.	.			trans	-80	125.4	172.6	-60.1	175	0	0	0	110.8	E27 V31 V50 V52 L61 L63 I71	E27-I29 VanDerWaalsContact C-N 3.26Å; E27-I29 PolarHBondContact O-N 3.36Å; I29-V31 HydrophobicContact CG2-CG2 4.12Å; I29-V31 PolarHBondContact O-N 2.91Å; I29-V31 VanDerWaalsContact O-N 3.13Å; I29-V50 HydrophobicContact CG2-CG1 4.17Å; I29-V52 HydrophobicContact CG2-CG1 3.83Å; I29-L61 HydrophobicContact CD1-CD2 3.76Å; I29-L61 HydrophobicContact CG1-CD2 3.78Å; I29-L61 HydrophobicContact CG2-CD2 4.01Å; I29-L63 HydrophobicContact CD1-CD1 4.04Å; I29-I71 HydrophobicContact CD1-CG1 4.38Å; I29-I71 HydrophobicContact CG1-CB 4.4Å; I29-I71 HydrophobicContact CG1-CG1 4.11Å
30	R	96	Very high	96	Very high	133 Å²	133	85 Å²	85	50%	0.502	43%	0.428	S	S	.	.			trans	-84.1	75.1	175.2	-69.9	-178.8	-88.9	176.9	-2.8	111.2	V52 E53 K73	R30-V52 CarbonylContact O-C 3.12Å; R30-V52 WeakPolarHBondContact O-CA 3.22Å; R30-V52 VanDerWaalsContact O-CB 3.22Å; R30-V52 WeakPolarHBondContact O-CB 3.32Å; R30-E53 PolarHBondContact O-N 3.3Å; R30-K73 PolarHBondContact NH2-O 2.75Å; R30-K73 VanDerWaalsContact NH2-O 3.14Å
31	V	97.4	Very high	96	Very high	72 Å²	72	83.8 Å²	83.8	44%	0.436	42%	0.422	S	S	.	.	B	Isolated β-bridge	trans	-57.5	138.3	178.8	-174.8	0	0	0	0	110.8	I29 V50	I29-V31 HydrophobicContact CG2-CG2 4.12Å; I29-V31 PolarHBondContact O-N 2.91Å; I29-V31 VanDerWaalsContact O-N 3.13Å; V31-V50 HydrophobicContact CG1-CG1 4.38Å; V31-V50 HydrophobicContact CG2-CG1 4.06Å
32	S	96.8	Very high	96.1	Very high	14 Å²	14	77.3 Å²	77.3	10%	0.098	40%	0.396	C	S	.	.			trans	-54.4	141.3	178.2	178.8	0	0	0	0	112.5	V34 I51	S32-V34 WeakPolarHBondContact OG-CG2 3.45Å; S32-V34 PolarHBondContact OG-N 3.23Å; S32-I51 PolarHBondContact N-O 3.43Å
33	R	95.1	Very high	96.3	Very high	205 Å²	205	76 Å²	76	77%	0.774	39%	0.393	S	S	*	.			trans	-104.4	10	174.4	-61.6	-176.7	-153.8	-171.5	3.7	113.2	T35 E53	R33-T35 PolarHBondContact O-N 3.14Å; R33-E53 WeakPolarHBondContact CD-OE1 3.45Å; R33-E53 VanDerWaalsContact CG-OE1 3.27Å; R33-E53 WeakPolarHBondContact CG-OE1 3.44Å; R33-E53 IonicContact CZ-OE1 2.92Å; R33-E53 IonicContact NE-OE1 2.71Å; R33-E53 PolarHBondContact NE-OE1 2.96Å; R33-E53 IonicContact NH2-OE1 3.36Å
34	V	95	Very high	96.5	Very high	41 Å²	41	71.8 Å²	71.8	25%	0.248	37%	0.37	C	S	.	.			trans	-58.7	134.6	175.4	173.3	0	0	0	0	108.9	S32 W36 F40 P84 L86	S32-V34 WeakPolarHBondContact OG-CG2 3.45Å; S32-V34 PolarHBondContact OG-N 3.23Å; V34-W36 HydrophobicContact CG1-CB 4.31Å; V34-W36 PolarHBondContact O-N 3.32Å; V34-F40 HydrophobicContact CB-CZ 4.25Å; V34-F40 WeakPolarHBondContact O-CE2 3.33Å; V34-F40 VanDerWaalsContact O-CZ 3.23Å; V34-F40 WeakPolarHBondContact O-CZ 3.23Å; V34-P84 HydrophobicContact CG2-CB 3.84Å; V34-P84 HydrophobicContact CG2-CG 4.3Å; V34-L86 HydrophobicContact CG1-CD2 3.78Å
35	T	95.1	Very high	96.6	Very high	137 Å²	137	72 Å²	72	84%	0.84	38%	0.38	S	S	*	.			trans	-78	90.9	176.5	-52.5	0	0	0	0	109.3	R33	R33-T35 PolarHBondContact O-N 3.14Å
36	W	95.7	Very high	96.6	Very high	60 Å²	60	73.3 Å²	73.3	23%	0.227	38%	0.381	C	S	.	.			trans	-145.1	148.1	175.7	-163.1	-106.7	0	0	0	109.8	V34 F40 L86 G136	V34-W36 HydrophobicContact CG1-CB 4.31Å; V34-W36 PolarHBondContact O-N 3.32Å; W36-F40 HydrophobicContact CB-CE1 3.88Å; W36-F40 HydrophobicContact CB-CZ 3.93Å; W36-L86 HydrophobicContact CB-CD2 4.18Å; W36-L86 HydrophobicContact CD2-CB 4.46Å; W36-L86 HydrophobicContact CD2-CD1 4.27Å; W36-L86 HydrophobicContact CD2-CD2 4.14Å; W36-L86 HydrophobicContact CE3-CD1 4.4Å; W36-L86 HydrophobicContact CE3-CD2 4.41Å; W36-L86 HydrophobicContact CG-CB 4.32Å; W36-L86 HydrophobicContact CG-CD2 4.03Å; W36-L86 HydrophobicContact CZ2-CD1 4.42Å; W36-G136 PolarHBondContact NE1-O 3.42Å
37	D	92.1	Very high	96.6	Very high	101 Å²	101	70.3 Å²	70.3	54%	0.54	37%	0.369	S	S	.	.			trans	-98	20.5	-170.8	-66	-31.6	0	0	0	113.1	R225	D37-R225 PolarHBondContact O-NH2 3.25Å
38	S	92.6	Very high	96.7	Very high	27 Å²	27	67.2 Å²	67.2	19%	0.189	36%	0.355	C	S	.	.	S	Bend	trans	-78.5	174.3	167.9	72	0	0	0	0	110.1	F40 L86	S38-F40 VanDerWaalsContact C-N 3.31Å; S38-F40 PolarHBondContact O-N 3.02Å; S38-F40 WeakPolarHBondContact OG-CD1 3.46Å; S38-F40 WeakPolarHBondContact OG-CE1 3.31Å; S38-L86 WeakPolarHBondContact CB-O 3.48Å; S38-L86 PolarHBondContact OG-O 2.97Å
39	T	94.2	Very high	96.8	Very high	109 Å²	109	63.5 Å²	63.5	67%	0.669	34%	0.335	S	S	*	.			trans	-78.5	-14.8	-175.7	55.5	0	0	0	0	113.8	C41	T39-C41 PolarHBondContact O-N 3.07Å; T39-C41 PolarHBondContact OG1-O 3.05Å
40	F	97.8	Very high	96.8	Very high	25 Å²	25	62.3 Å²	62.3	11%	0.11	33%	0.329	C	S	.	.	S	Bend	trans	56.1	5.6	-173.1	-70.7	0.9	0	0	0	115.6	V34 W36 S38 V50 I51	V34-F40 HydrophobicContact CB-CZ 4.25Å; V34-F40 WeakPolarHBondContact O-CE2 3.33Å; V34-F40 VanDerWaalsContact O-CZ 3.23Å; V34-F40 WeakPolarHBondContact O-CZ 3.23Å; W36-F40 HydrophobicContact CB-CE1 3.88Å; W36-F40 HydrophobicContact CB-CZ 3.93Å; S38-F40 VanDerWaalsContact C-N 3.31Å; S38-F40 PolarHBondContact O-N 3.02Å; S38-F40 WeakPolarHBondContact OG-CD1 3.46Å; S38-F40 WeakPolarHBondContact OG-CE1 3.31Å; F40-V50 CarbonylContact O-C 3.56Å; F40-V50 WeakPolarHBondContact O-CA 3.5Å; F40-I51 HydrophobicContact CB-CB 4.3Å; F40-I51 HydrophobicContact CD1-CD1 3.84Å; F40-I51 HydrophobicContact CE1-CD1 4.44Å; F40-I51 HydrophobicContact CG-CB 4.42Å; F40-I51 HydrophobicContact CG-CD1 4.41Å; F40-I51 PolarHBondContact O-N 2.89Å
41	C	98.4	Very high	97	Very high	55 Å²	55	56 Å²	56	37%	0.372	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	132	-173.5	179.8	0	0	0	0	109	T39 L48 A49	T39-C41 PolarHBondContact O-N 3.07Å; T39-C41 PolarHBondContact OG1-O 3.05Å; C41-L48 VanDerWaalsContact SG-CD1 3.56Å; C41-A49 VanDerWaalsContact CA-O 3.32Å; C41-A49 WeakPolarHBondContact CA-O 3.3Å
42	A	98.7	Very high	97	Very high	12 Å²	12	53.2 Å²	53.2	10%	0.099	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	134.8	175.6	0	0	0	0	0	108.8	A49 I88 W90	A42-A49 PolarHBondContact N-O 2.73Å; A42-A49 WeakPolarHBondContact O-CA 3.33Å; A42-A49 PolarHBondContact O-N 2.86Å; A42-I88 HydrophobicContact CB-CD1 4.15Å; A42-I88 HydrophobicContact CB-CG1 4.04Å; A42-W90 VanDerWaalsContact C-NE1 3.31Å; A42-W90 PolarHBondContact O-NE1 3.13Å
43	V	98.6	Very high	96.9	Very high	93 Å²	93	56.2 Å²	56.2	56%	0.564	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132	140.6	-177.7	69.7	0	0	0	0	109.8	F47 L48 L65	V43-F47 WeakPolarHBondContact CA-O 3.36Å; V43-F47 WeakPolarHBondContact CG2-O 3.44Å; V43-L48 HydrophobicContact CB-CD1 4.44Å; V43-L65 HydrophobicContact CG2-CD2 3.75Å
44	N	98.6	Very high	96.6	Very high	19 Å²	19	48.5 Å²	48.5	10%	0.102	28%	0.282	C	S	.	.			trans	-129.2	-176.7	171.6	79.3	7.3	0	0	0	109.6	K46 F47 W90 D95	N44-K46 PolarHBondContact O-N 3.44Å; N44-K46 VanDerWaalsContact O-N 3.13Å; N44-K46 PolarHBondContact OD1-N 2.83Å; N44-F47 PolarHBondContact N-O 2.8Å; N44-F47 PolarHBondContact OD1-N 3.01Å; N44-W90 HydrophobicContact CB-CB 4.13Å; N44-W90 HydrophobicContact CB-CD2 4.24Å; N44-W90 HydrophobicContact CB-CG 3.86Å; N44-W90 VanDerWaalsContact ND2-CD2 3.34Å; N44-D95 WeakPolarHBondContact ND2-CA 3.43Å; N44-D95 PolarHBondContact ND2-O 3.39Å
45	P	98.4	Very high	95.9	Very high	102 Å²	102	53.5 Å²	53.5	66%	0.662	32%	0.318	S	S	*	.	S	Bend	trans	-61.3	-16.8	-179	-26.4	36.6	0	0	0	116.2	L65	P45-L65 WeakPolarHBondContact O-CD1 3.33Å
46	K	98.5	Very high	95.4	Very high	70 Å²	70	49.9 Å²	49.9	30%	0.304	31%	0.309	S	S	.	.	S	Bend	trans	-109.3	-37	-177.8	-69.9	-166.4	179.5	-166.5	0	113.5	N44 P64 L65 D95 E96	N44-K46 PolarHBondContact O-N 3.44Å; N44-K46 VanDerWaalsContact O-N 3.13Å; N44-K46 PolarHBondContact OD1-N 2.83Å; K46-P64 WeakPolarHBondContact O-CA 3.39Å; K46-L65 PolarHBondContact O-N 2.83Å; K46-D95 HydrophobicContact CB-CB 4.47Å; K46-D95 HydrophobicContact CD-CB 3.92Å; K46-D95 HydrophobicContact CG-CB 4.02Å; K46-E96 HydrophobicContact CD-CG 4.47Å; K46-E96 IonicContact NZ-OE1 3.27Å; K46-E96 PolarHBondContact NZ-OE1 2.97Å
47	F	98.8	Very high	95.2	Very high	1 Å²	1	48.4 Å²	48.4	0%	0.004	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	146.9	-165.1	-54.6	-71.3	0	0	0	113.6	V43 N44 V62 L63 P64 W90 D95 E96 I112 E114	V43-F47 WeakPolarHBondContact CA-O 3.36Å; V43-F47 WeakPolarHBondContact CG2-O 3.44Å; N44-F47 PolarHBondContact N-O 2.8Å; N44-F47 PolarHBondContact OD1-N 3.01Å; F47-V62 HydrophobicContact CB-CG1 3.95Å; F47-V62 HydrophobicContact CD1-CG1 4.11Å; F47-V62 HydrophobicContact CG-CG1 4.09Å; F47-L63 CarbonylContact C-O 3.57Å; F47-L63 VanDerWaalsContact CA-O 3.22Å; F47-L63 WeakPolarHBondContact CA-O 3.36Å; F47-P64 HydrophobicContact CD1-CG 4.43Å; F47-P64 HydrophobicContact CE1-CG 4.32Å; F47-W90 HydrophobicContact CB-CH2 3.54Å; F47-W90 HydrophobicContact CB-CZ2 3.42Å; F47-W90 VanDerWaalsContact CB-CZ2 3.42Å; F47-W90 HydrophobicContact CB-CZ3 4.49Å; F47-W90 AromaticContact CD2-CH2 3.76Å; F47-W90 HydrophobicContact CD2-CH2 3.76Å; F47-W90 HydrophobicContact CD2-CZ2 4.44Å; F47-W90 HydrophobicContact CD2-CZ3 4.03Å; F47-W90 AromaticContact CG-CH2 3.9Å; F47-W90 HydrophobicContact CG-CH2 3.9Å; F47-W90 HydrophobicContact CG-CZ2 4.29Å; F47-D95 VanDerWaalsContact CD2-O 3.3Å; F47-D95 WeakPolarHBondContact CD2-O 3.37Å; F47-D95 WeakPolarHBondContact CE2-O 3.41Å; F47-E96 HydrophobicContact CE2-CG 4Å; F47-E96 HydrophobicContact CZ-CG 4.5Å; F47-I112 HydrophobicContact CD1-CG2 4.38Å; F47-I112 HydrophobicContact CD2-CG2 4.47Å; F47-I112 HydrophobicContact CE1-CG2 4.07Å; F47-I112 HydrophobicContact CE2-CG2 4.17Å; F47-I112 HydrophobicContact CZ-CG2 3.96Å; F47-E114 WeakPolarHBondContact CZ-O 3.19Å
48	L	98.6	Very high	95.4	Very high	18 Å²	18	43.8 Å²	43.8	9%	0.094	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	129.7	160.6	171.3	68.4	0	0	0	108.6	Y26 C41 V43 V50 V62 L63 L65	Y26-L48 HydrophobicContact CD1-CD2 4Å; Y26-L48 HydrophobicContact CD2-CD2 3.43Å; Y26-L48 VanDerWaalsContact CD2-CD2 3.43Å; Y26-L48 HydrophobicContact CE1-CD2 4.07Å; Y26-L48 HydrophobicContact CE2-CD2 3.55Å; Y26-L48 HydrophobicContact CG-CD2 3.66Å; C41-L48 VanDerWaalsContact SG-CD1 3.56Å; V43-L48 HydrophobicContact CB-CD1 4.44Å; L48-V50 HydrophobicContact CD1-CG2 4Å; L48-V50 HydrophobicContact CD2-CG2 4.05Å; L48-V50 HydrophobicContact CG-CG2 3.89Å; L48-V62 CarbonylContact O-C 3.53Å; L48-V62 WeakPolarHBondContact O-CA 3.45Å; L48-L63 HydrophobicContact CD2-CD1 4.44Å; L48-L63 PolarHBondContact N-O 2.71Å; L48-L63 PolarHBondContact O-N 2.78Å; L48-L65 HydrophobicContact CB-CD2 4.22Å
49	A	98.8	Very high	95.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	136.1	168.8	0	0	0	0	0	111.2	C41 A42 F60 L61 V62 I88 W90 I98	C41-A49 VanDerWaalsContact CA-O 3.32Å; C41-A49 WeakPolarHBondContact CA-O 3.3Å; A42-A49 PolarHBondContact N-O 2.73Å; A42-A49 WeakPolarHBondContact O-CA 3.33Å; A42-A49 PolarHBondContact O-N 2.86Å; A49-F60 HydrophobicContact CB-CD2 4.42Å; A49-L61 CarbonylContact C-O 3.57Å; A49-L61 WeakPolarHBondContact CA-O 3.45Å; A49-V62 HydrophobicContact CB-CG2 4.19Å; A49-I88 HydrophobicContact CB-CD1 3.76Å; A49-W90 HydrophobicContact CB-CZ2 3.71Å; A49-I98 HydrophobicContact CB-CD1 3.56Å
50	V	98.6	Very high	95.9	Very high	14 Å²	14	37.6 Å²	37.6	9%	0.085	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	128.2	-179.1	-175.5	0	0	0	0	109.7	I29 V31 F40 L48 V52 F60 L61	I29-V50 HydrophobicContact CG2-CG1 4.17Å; V31-V50 HydrophobicContact CG1-CG1 4.38Å; V31-V50 HydrophobicContact CG2-CG1 4.06Å; F40-V50 CarbonylContact O-C 3.56Å; F40-V50 WeakPolarHBondContact O-CA 3.5Å; L48-V50 HydrophobicContact CD1-CG2 4Å; L48-V50 HydrophobicContact CD2-CG2 4.05Å; L48-V50 HydrophobicContact CG-CG2 3.89Å; V50-V52 PolarHBondContact O-N 3.09Å; V50-F60 CarbonylContact O-C 3.45Å; V50-F60 WeakPolarHBondContact O-CA 3.21Å; V50-F60 WeakPolarHBondContact O-CB 3.36Å; V50-L61 PolarHBondContact N-O 3.05Å; V50-L61 PolarHBondContact O-N 2.88Å
51	I	98.6	Very high	95.9	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	125.3	173.1	-55.5	-179.3	0	0	0	108.7	S32 F40 F60 V85 I88	S32-I51 PolarHBondContact N-O 3.43Å; F40-I51 HydrophobicContact CB-CB 4.3Å; F40-I51 HydrophobicContact CD1-CD1 3.84Å; F40-I51 HydrophobicContact CE1-CD1 4.44Å; F40-I51 HydrophobicContact CG-CB 4.42Å; F40-I51 HydrophobicContact CG-CD1 4.41Å; F40-I51 PolarHBondContact O-N 2.89Å; I51-F60 HydrophobicContact CG1-CB 4.44Å; I51-V85 HydrophobicContact CD1-CB 4.45Å; I51-V85 HydrophobicContact CD1-CG1 3.9Å; I51-V85 HydrophobicContact CG1-CG1 4.19Å; I51-V85 HydrophobicContact CG2-CB 4.06Å; I51-V85 WeakPolarHBondContact CG2-O 3.47Å; I51-I88 HydrophobicContact CD1-CG1 4.17Å; I51-I88 HydrophobicContact CD1-CG2 4.27Å; I51-I88 HydrophobicContact CG1-CD1 3.82Å; I51-I88 HydrophobicContact CG1-CG1 3.92Å; I51-I88 HydrophobicContact CG1-CG2 4.03Å
52	V	97.7	Very high	95.9	Very high	14 Å²	14	34.2 Å²	34.2	9%	0.085	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	160.9	-174.2	-66.3	0	0	0	0	112	I29 R30 V50 A59 L61 T77	I29-V52 HydrophobicContact CG2-CG1 3.83Å; R30-V52 CarbonylContact O-C 3.12Å; R30-V52 WeakPolarHBondContact O-CA 3.22Å; R30-V52 VanDerWaalsContact O-CB 3.22Å; R30-V52 WeakPolarHBondContact O-CB 3.32Å; V50-V52 PolarHBondContact O-N 3.09Å; V52-A59 HydrophobicContact CG2-CB 4.19Å; V52-A59 PolarHBondContact N-O 2.95Å; V52-L61 HydrophobicContact CG1-CB 3.83Å; V52-T77 HydrophobicContact CG2-CG2 4.17Å
53	E	94.3	Very high	95.9	Very high	76 Å²	76	33.7 Å²	33.7	36%	0.355	22%	0.224	S	C	.	.			trans	-63.1	133.2	169.4	-64.2	179.5	158.6	0	0	110.8	R30 R33	R30-E53 PolarHBondContact O-N 3.3Å; R33-E53 WeakPolarHBondContact CD-OE1 3.45Å; R33-E53 VanDerWaalsContact CG-OE1 3.27Å; R33-E53 WeakPolarHBondContact CG-OE1 3.44Å; R33-E53 IonicContact CZ-OE1 2.92Å; R33-E53 IonicContact NE-OE1 2.71Å; R33-E53 PolarHBondContact NE-OE1 2.96Å; R33-E53 IonicContact NH2-OE1 3.36Å
54	A	89.8	Confident	95.9	Very high	44 Å²	44	30.2 Å²	30.2	36%	0.364	20%	0.204	S	C	.	.			trans	-119.5	142.2	171.5	0	0	0	0	0	109.7	G56 A59	A54-G56 PolarHBondContact O-N 2.84Å; A54-A59 HydrophobicContact CB-CB 3.97Å
55	S	79.6	Confident	95.8	Very high	145 Å²	145	32.2 Å²	32.2	100%	1.014	21%	0.214	S	C	*	.	S	Bend	trans	-72.1	-11.7	177.4	49.9	0	0	0	0	113.6
56	G	84.3	Confident	95.7	Very high	62 Å²	62	32.5 Å²	32.5	64%	0.639	22%	0.219	S	C	*	.	S	Bend	trans	-169.3	142.1	173.2	0	0	0	0	0	109.1	A54	A54-G56 PolarHBondContact O-N 2.84Å
57	G	93.1	Very high	95.6	Very high	28 Å²	28	33 Å²	33	29%	0.289	22%	0.221	S	C	.	.	S	Bend	trans	73.4	-150.1	-174.3	0	0	0	0	0	114	H81 T82 G83	G57-H81 WeakPolarHBondContact CA-O 3.33Å; G57-T82 WeakPolarHBondContact CA-O 3.3Å; G57-G83 CarbonylContact C-O 3.47Å
58	G	95.7	Very high	95.6	Very high	5 Å²	5	35.8 Å²	35.8	5%	0.052	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	141	177.2	0	0	0	0	0	112	H81 G83	G58-H81 PolarHBondContact N-O 2.98Å; G58-G83 WeakPolarHBondContact CA-O 3.34Å; G58-G83 PolarHBondContact N-O 2.97Å; G58-G83 VanDerWaalsContact N-O 3.09Å
59	A	97.8	Very high	95.5	Very high	5 Å²	5	35.7 Å²	35.7	4%	0.041	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	155	178.1	0	0	0	0	0	112.3	V52 A54 V78 C79	V52-A59 HydrophobicContact CG2-CB 4.19Å; V52-A59 PolarHBondContact N-O 2.95Å; A54-A59 HydrophobicContact CB-CB 3.97Å; A59-V78 WeakPolarHBondContact CA-O 3.29Å; A59-V78 WeakPolarHBondContact CB-O 3.32Å; A59-C79 HydrophobicContact CB-CB 4.12Å
60	F	98.6	Very high	95.4	Very high	1 Å²	1	44.7 Å²	44.7	0%	0.004	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	148.1	166.4	63.6	-85.9	0	0	0	110.3	A49 V50 I51 V62 T77 V78 V85 I88 I98 W110	A49-F60 HydrophobicContact CB-CD2 4.42Å; V50-F60 CarbonylContact O-C 3.45Å; V50-F60 WeakPolarHBondContact O-CA 3.21Å; V50-F60 WeakPolarHBondContact O-CB 3.36Å; I51-F60 HydrophobicContact CG1-CB 4.44Å; F60-V62 HydrophobicContact CD2-CG2 3.68Å; F60-V62 HydrophobicContact CE2-CG2 3.51Å; F60-T77 WeakPolarHBondContact O-CB 3.34Å; F60-V78 HydrophobicContact CD1-CB 4Å; F60-V78 HydrophobicContact CD1-CG1 4.31Å; F60-V78 HydrophobicContact CD2-CB 4.13Å; F60-V78 HydrophobicContact CD2-CG2 4.14Å; F60-V78 HydrophobicContact CE1-CB 3.59Å; F60-V78 HydrophobicContact CE1-CG1 3.49Å; F60-V78 VanDerWaalsContact CE1-CG1 3.49Å; F60-V78 HydrophobicContact CE1-CG2 4.32Å; F60-V78 HydrophobicContact CE2-CB 3.73Å; F60-V78 HydrophobicContact CE2-CG1 4.2Å; F60-V78 HydrophobicContact CE2-CG2 3.55Å; F60-V78 HydrophobicContact CG-CB 4.26Å; F60-V78 HydrophobicContact CZ-CB 3.45Å; F60-V78 VanDerWaalsContact CZ-CB 3.45Å; F60-V78 HydrophobicContact CZ-CG1 3.43Å; F60-V78 VanDerWaalsContact CZ-CG1 3.43Å; F60-V78 HydrophobicContact CZ-CG2 3.67Å; F60-V78 PolarHBondContact N-O 3.36Å; F60-V78 VanDerWaalsContact N-O 3.09Å; F60-V78 PolarHBondContact O-N 2.98Å; F60-V85 HydrophobicContact CD1-CG2 4.36Å; F60-I88 HydrophobicContact CB-CG2 4.45Å; F60-I88 HydrophobicContact CD1-CG2 4.14Å; F60-I88 HydrophobicContact CD2-CG2 4.43Å; F60-I88 HydrophobicContact CE1-CG2 4.49Å; F60-I88 HydrophobicContact CG-CG2 4.11Å; F60-I98 HydrophobicContact CD2-CD1 4.48Å; F60-I98 HydrophobicContact CE2-CD1 3.93Å; F60-I98 HydrophobicContact CE2-CG2 3.9Å; F60-I98 HydrophobicContact CZ-CG2 3.9Å; F60-W110 AromaticContact CE1-NE1 3.74Å; F60-W110 AromaticContact CZ-CD1 3.69Å; F60-W110 HydrophobicContact CZ-CG 4.13Å; F60-W110 AromaticContact CZ-NE1 3.86Å
61	L	98.3	Very high	95.4	Very high	9 Å²	9	44.3 Å²	44.3	5%	0.047	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	141.8	176.8	-179.7	65.8	0	0	0	109.2	I29 A49 V50 V52 L63 I71 Y75 T77	I29-L61 HydrophobicContact CD1-CD2 3.76Å; I29-L61 HydrophobicContact CG1-CD2 3.78Å; I29-L61 HydrophobicContact CG2-CD2 4.01Å; A49-L61 CarbonylContact C-O 3.57Å; A49-L61 WeakPolarHBondContact CA-O 3.45Å; V50-L61 PolarHBondContact N-O 3.05Å; V50-L61 PolarHBondContact O-N 2.88Å; V52-L61 HydrophobicContact CG1-CB 3.83Å; L61-L63 HydrophobicContact CD1-CD2 4.02Å; L61-L63 HydrophobicContact CD1-CG 4.31Å; L61-L63 HydrophobicContact CD2-CD1 3.78Å; L61-L63 HydrophobicContact CD2-CD2 4.24Å; L61-L63 HydrophobicContact CD2-CG 3.94Å; L61-L63 HydrophobicContact CG-CD1 4.31Å; L61-L63 HydrophobicContact CG-CD2 4.16Å; L61-L63 HydrophobicContact CG-CG 3.9Å; L61-I71 HydrophobicContact CD2-CG2 4.45Å; L61-Y75 HydrophobicContact CD1-CD1 3.43Å; L61-Y75 VanDerWaalsContact CD1-CD1 3.43Å; L61-Y75 HydrophobicContact CD1-CE1 3.98Å; L61-Y75 HydrophobicContact CD1-CG 4.44Å; L61-T77 HydrophobicContact CD1-CG2 4.36Å
62	V	98.7	Very high	95.2	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	122.9	169.8	-178.2	0	0	0	0	109	F47 L48 A49 F60 V78 W90 I112 L117	F47-V62 HydrophobicContact CB-CG1 3.95Å; F47-V62 HydrophobicContact CD1-CG1 4.11Å; F47-V62 HydrophobicContact CG-CG1 4.09Å; L48-V62 CarbonylContact O-C 3.53Å; L48-V62 WeakPolarHBondContact O-CA 3.45Å; A49-V62 HydrophobicContact CB-CG2 4.19Å; F60-V62 HydrophobicContact CD2-CG2 3.68Å; F60-V62 HydrophobicContact CE2-CG2 3.51Å; V62-V78 HydrophobicContact CG2-CG2 3.9Å; V62-W90 HydrophobicContact CG1-CH2 3.78Å; V62-W90 HydrophobicContact CG1-CZ2 4.08Å; V62-I112 HydrophobicContact CG1-CD1 4.45Å; V62-I112 HydrophobicContact CG1-CG1 4.29Å; V62-I112 HydrophobicContact CG1-CG2 3.81Å; V62-I112 HydrophobicContact CG2-CD1 4.06Å; V62-L117 HydrophobicContact CB-CD1 4.33Å
63	L	98.4	Very high	95	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	135	-178.3	-61	171.9	0	0	0	109.9	Y26 I29 F47 L48 L61 K67 I71 Y75	Y26-L63 HydrophobicContact CD1-CD1 3.64Å; Y26-L63 HydrophobicContact CE1-CB 4.5Å; Y26-L63 HydrophobicContact CE1-CD1 4.23Å; Y26-L63 HydrophobicContact CG-CD1 4.33Å; I29-L63 HydrophobicContact CD1-CD1 4.04Å; F47-L63 CarbonylContact C-O 3.57Å; F47-L63 VanDerWaalsContact CA-O 3.22Å; F47-L63 WeakPolarHBondContact CA-O 3.36Å; L48-L63 HydrophobicContact CD2-CD1 4.44Å; L48-L63 PolarHBondContact N-O 2.71Å; L48-L63 PolarHBondContact O-N 2.78Å; L61-L63 HydrophobicContact CD1-CD2 4.02Å; L61-L63 HydrophobicContact CD1-CG 4.31Å; L61-L63 HydrophobicContact CD2-CD1 3.78Å; L61-L63 HydrophobicContact CD2-CD2 4.24Å; L61-L63 HydrophobicContact CD2-CG 3.94Å; L61-L63 HydrophobicContact CG-CD1 4.31Å; L61-L63 HydrophobicContact CG-CD2 4.16Å; L61-L63 HydrophobicContact CG-CG 3.9Å; L63-K67 HydrophobicContact CD2-CD 3.89Å; L63-I71 HydrophobicContact CD1-CD1 3.79Å; L63-I71 HydrophobicContact CD1-CG1 3.88Å; L63-I71 HydrophobicContact CD2-CD1 4.1Å; L63-I71 HydrophobicContact CD2-CG2 4.18Å; L63-Y75 HydrophobicContact CD2-CD1 3.84Å; L63-Y75 HydrophobicContact CD2-CE1 3.48Å; L63-Y75 VanDerWaalsContact CD2-CE1 3.48Å; L63-Y75 HydrophobicContact CD2-CG 4.43Å
64	P	98.3	Very high	94.9	Very high	20 Å²	20	56.2 Å²	56.2	13%	0.13	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	141	161.3	-22.9	33.9	0	0	0	110.3	K46 F47 S66 K67	K46-P64 WeakPolarHBondContact O-CA 3.39Å; F47-P64 HydrophobicContact CD1-CG 4.43Å; F47-P64 HydrophobicContact CE1-CG 4.32Å; P64-S66 PolarHBondContact O-N 2.82Å; P64-S66 VanDerWaalsContact O-N 3.07Å; P64-K67 WeakPolarHBondContact O-CB 3.48Å; P64-K67 PolarHBondContact O-N 2.95Å
65	L	97.9	Very high	95.3	Very high	62 Å²	62	55.8 Å²	55.8	33%	0.325	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-23.8	-178.1	-70	-176.7	0	0	0	113.9	Y26 V43 P45 K46 L48 K67	Y26-L65 WeakPolarHBondContact OH-CA 3.34Å; Y26-L65 PolarHBondContact OH-O 3.08Å; Y26-L65 VanDerWaalsContact OH-O 3.09Å; V43-L65 HydrophobicContact CG2-CD2 3.75Å; P45-L65 WeakPolarHBondContact O-CD1 3.33Å; K46-L65 PolarHBondContact O-N 2.83Å; L48-L65 HydrophobicContact CB-CD2 4.22Å; L65-K67 VanDerWaalsContact C-N 3.26Å; L65-K67 PolarHBondContact O-N 3.31Å
66	S	96.3	Very high	96.1	Very high	108 Å²	108	49.8 Å²	49.8	76%	0.755	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-13.6	175.8	56	0	0	0	0	113.5	P64 T68	P64-S66 PolarHBondContact O-N 2.82Å; P64-S66 VanDerWaalsContact O-N 3.07Å; S66-T68 VanDerWaalsContact C-N 3.27Å; S66-T68 PolarHBondContact O-N 3Å
67	K	96.4	Very high	96.7	Very high	81 Å²	81	48.4 Å²	48.4	35%	0.352	27%	0.269	S	S	.	.			trans	-87.6	63.1	-176.8	-165.4	179.4	170.1	81.4	0	111.2	Y26 L63 P64 L65 I71 Y75	Y26-K67 VanDerWaalsContact CD1-O 3.23Å; Y26-K67 WeakPolarHBondContact CD1-O 3.42Å; Y26-K67 WeakPolarHBondContact CE1-O 3.49Å; L63-K67 HydrophobicContact CD2-CD 3.89Å; P64-K67 WeakPolarHBondContact O-CB 3.48Å; P64-K67 PolarHBondContact O-N 2.95Å; L65-K67 VanDerWaalsContact C-N 3.26Å; L65-K67 PolarHBondContact O-N 3.31Å; K67-I71 HydrophobicContact CG-CD1 4.32Å; K67-Y75 HydrophobicContact CD-CE2 3.8Å
68	T	97.7	Very high	97	Very high	58 Å²	58	47.1 Å²	47.1	36%	0.356	26%	0.256	S	S	.	.			trans	-84.8	172.4	175.9	63.8	0	0	0	0	111.9	D23 Q24 Y26 S66	D23-T68 VanDerWaalsContact O-CB 3.31Å; D23-T68 WeakPolarHBondContact O-CB 3.32Å; D23-T68 PolarHBondContact O-OG1 3.28Å; Q24-T68 WeakPolarHBondContact O-CG2 3.5Å; Y26-T68 HydrophobicContact CE1-CG2 4.16Å; S66-T68 VanDerWaalsContact C-N 3.27Å; S66-T68 PolarHBondContact O-N 3Å
69	G	97.1	Very high	96.9	Very high	17 Å²	17	48.9 Å²	48.9	18%	0.175	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	86.8	-155.3	-175.5	0	0	0	0	0	112.8	C25 E27 I71	C25-G69 PolarHBondContact O-N 3.01Å; E27-G69 PolarHBondContact N-O 3.3Å; G69-I71 PolarHBondContact O-N 2.99Å
70	R	97.3	Very high	96.7	Very high	188 Å²	188	49.9 Å²	49.9	71%	0.709	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.4	123.3	-177.1	-169.6	-176.8	-172	177.4	8.3	111.5	D28	D28-R70 HydrophobicContact CB-CG 4.14Å; D28-R70 IonicContact OD2-CZ 2.72Å; D28-R70 VanDerWaalsContact OD2-CZ 3.23Å; D28-R70 IonicContact OD2-NE 2.88Å; D28-R70 PolarHBondContact OD2-NE 3.26Å; D28-R70 IonicContact OD2-NH2 3.23Å; D28-R70 PolarHBondContact OD2-NH2 3.12Å
71	I	97.2	Very high	96.7	Very high	6 Å²	6	50.2 Å²	50.2	3%	0.031	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-91.1	130.9	175.8	-51.7	-55.1	0	0	0	109.6	E27 I29 L61 L63 K67 G69 Y75	E27-I71 PolarHBondContact O-N 3.18Å; I29-I71 HydrophobicContact CD1-CG1 4.38Å; I29-I71 HydrophobicContact CG1-CB 4.4Å; I29-I71 HydrophobicContact CG1-CG1 4.11Å; L61-I71 HydrophobicContact CD2-CG2 4.45Å; L63-I71 HydrophobicContact CD1-CD1 3.79Å; L63-I71 HydrophobicContact CD1-CG1 3.88Å; L63-I71 HydrophobicContact CD2-CD1 4.1Å; L63-I71 HydrophobicContact CD2-CG2 4.18Å; K67-I71 HydrophobicContact CG-CD1 4.32Å; G69-I71 PolarHBondContact O-N 2.99Å; I71-Y75 HydrophobicContact CG2-CG 4.15Å
72	D	95.4	Very high	96.7	Very high	111 Å²	111	55.4 Å²	55.4	59%	0.594	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-63.4	138.6	177.2	-164.7	-64.1	0	0	0	110.5	A74 Y75	D72-A74 PolarHBondContact O-N 3.15Å; D72-A74 WeakPolarHBondContact OD1-CB 3.4Å; D72-A74 PolarHBondContact OD1-N 3.12Å; D72-Y75 WeakPolarHBondContact O-CB 3.32Å; D72-Y75 PolarHBondContact O-N 2.84Å
73	K	92.2	Very high	96.6	Very high	146 Å²	146	55.9 Å²	55.9	64%	0.635	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-22.1	178.9	-70.1	-176.9	-178.6	179.1	0	113.4	R30	R30-K73 PolarHBondContact NH2-O 2.75Å; R30-K73 VanDerWaalsContact NH2-O 3.14Å
74	A	93.8	Very high	96.6	Very high	84 Å²	84	57.8 Å²	57.8	69%	0.694	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	6.9	176	0	0	0	0	0	112.8	D72	D72-A74 PolarHBondContact O-N 3.15Å; D72-A74 WeakPolarHBondContact OD1-CB 3.4Å; D72-A74 PolarHBondContact OD1-N 3.12Å
75	Y	96.5	Very high	96.6	Very high	36 Å²	36	57 Å²	57	14%	0.141	32%	0.323	C	S	.	.			trans	-58.2	134	175	-168.5	-90.6	0	0	0	110	L61 L63 K67 I71 D72 L117	L61-Y75 HydrophobicContact CD1-CD1 3.43Å; L61-Y75 VanDerWaalsContact CD1-CD1 3.43Å; L61-Y75 HydrophobicContact CD1-CE1 3.98Å; L61-Y75 HydrophobicContact CD1-CG 4.44Å; L63-Y75 HydrophobicContact CD2-CD1 3.84Å; L63-Y75 HydrophobicContact CD2-CE1 3.48Å; L63-Y75 VanDerWaalsContact CD2-CE1 3.48Å; L63-Y75 HydrophobicContact CD2-CG 4.43Å; K67-Y75 HydrophobicContact CD-CE2 3.8Å; I71-Y75 HydrophobicContact CG2-CG 4.15Å; D72-Y75 WeakPolarHBondContact O-CB 3.32Å; D72-Y75 PolarHBondContact O-N 2.84Å; Y75-L117 PolarHBondContact OH-O 3.03Å
76	P	97.1	Very high	96.7	Very high	18 Å²	18	54 Å²	54	12%	0.117	31%	0.308	C	S	.	.			trans	-61.6	144.8	-175.5	23.8	-35.1	0	0	0	112.5	L117 S119 P120	P76-L117 HydrophobicContact CB-CB 3.98Å; P76-L117 HydrophobicContact CG-CB 3.62Å; P76-L117 VanDerWaalsContact CG-O 3.32Å; P76-L117 WeakPolarHBondContact CG-O 3.38Å; P76-L117 WeakPolarHBondContact O-CD1 3.44Å; P76-S119 WeakPolarHBondContact CB-O 3.38Å; P76-P120 HydrophobicContact CB-CG 4.38Å
77	T	97.6	Very high	96.8	Very high	34 Å²	34	49.9 Å²	49.9	21%	0.209	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	165.7	176.9	55.8	0	0	0	0	110.6	V52 F60 L61 P120 L121	V52-T77 HydrophobicContact CG2-CG2 4.17Å; F60-T77 WeakPolarHBondContact O-CB 3.34Å; L61-T77 HydrophobicContact CD1-CG2 4.36Å; T77-P120 VanDerWaalsContact O-CA 3.32Å; T77-P120 WeakPolarHBondContact O-CA 3.17Å; T77-L121 PolarHBondContact O-N 3.09Å
78	V	98.4	Very high	96.9	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	121	162.2	-173.6	0	0	0	0	107.7	A59 F60 V62 W110 I112 L117 L121	A59-V78 WeakPolarHBondContact CA-O 3.29Å; A59-V78 WeakPolarHBondContact CB-O 3.32Å; F60-V78 HydrophobicContact CD1-CB 4Å; F60-V78 HydrophobicContact CD1-CG1 4.31Å; F60-V78 HydrophobicContact CD2-CB 4.13Å; F60-V78 HydrophobicContact CD2-CG2 4.14Å; F60-V78 HydrophobicContact CE1-CB 3.59Å; F60-V78 HydrophobicContact CE1-CG1 3.49Å; F60-V78 VanDerWaalsContact CE1-CG1 3.49Å; F60-V78 HydrophobicContact CE1-CG2 4.32Å; F60-V78 HydrophobicContact CE2-CB 3.73Å; F60-V78 HydrophobicContact CE2-CG1 4.2Å; F60-V78 HydrophobicContact CE2-CG2 3.55Å; F60-V78 HydrophobicContact CG-CB 4.26Å; F60-V78 HydrophobicContact CZ-CB 3.45Å; F60-V78 VanDerWaalsContact CZ-CB 3.45Å; F60-V78 HydrophobicContact CZ-CG1 3.43Å; F60-V78 VanDerWaalsContact CZ-CG1 3.43Å; F60-V78 HydrophobicContact CZ-CG2 3.67Å; F60-V78 PolarHBondContact N-O 3.36Å; F60-V78 VanDerWaalsContact N-O 3.09Å; F60-V78 PolarHBondContact O-N 2.98Å; V62-V78 HydrophobicContact CG2-CG2 3.9Å; V78-W110 HydrophobicContact CG1-CD2 3.31Å; V78-W110 HydrophobicContact CG1-CE3 3.36Å; V78-W110 HydrophobicContact CG1-CG 3.88Å; V78-W110 HydrophobicContact CG1-CH2 3.91Å; V78-W110 HydrophobicContact CG1-CZ2 3.85Å; V78-W110 HydrophobicContact CG1-CZ3 3.66Å; V78-I112 HydrophobicContact CG2-CD1 4Å; V78-L117 HydrophobicContact CG2-CD1 3.94Å; V78-L121 CarbonylContact C-O 3.58Å; V78-L121 WeakPolarHBondContact CA-O 3.44Å; V78-L121 HydrophobicContact CG1-CB 4.44Å; V78-L121 HydrophobicContact CG1-CD2 4.31Å; V78-L121 HydrophobicContact CG2-CB 4.3Å; V78-L121 HydrophobicContact CG2-CD2 4.2Å
79	C	94.1	Very high	97	Very high	41 Å²	41	45.9 Å²	45.9	28%	0.277	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	85.4	-171.8	54.6	0	0	0	0	111.5	A59 L121 T122	A59-C79 HydrophobicContact CB-CB 4.12Å; C79-L121 PolarHBondContact N-O 2.87Å; C79-T122 WeakPolarHBondContact O-CA 3.47Å; C79-T122 WeakPolarHBondContact O-CG2 3.25Å
80	G	94.5	Very high	97	Very high	26 Å²	26	45.9 Å²	45.9	27%	0.268	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	-9.7	166.2	0	0	0	0	0	114.1	T122	G80-T122 WeakPolarHBondContact CA-O 3.42Å
81	H	98.2	Very high	97.1	Very high	9 Å²	9	37.2 Å²	37.2	4%	0.042	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	140.7	174.6	-81.9	-64	0	0	0	111.7	G57 G58 V85 S100 S102 D104 T106 M108	G57-H81 WeakPolarHBondContact CA-O 3.33Å; G58-H81 PolarHBondContact N-O 2.98Å; H81-V85 HydrophobicContact CB-CG2 4.25Å; H81-S100 PolarHBondContact CD2-OG 2.95Å; H81-S100 PolarHBondContact NE2-O 3.01Å; H81-S100 PolarHBondContact NE2-OG 3.39Å; H81-S102 WeakPolarHBondContact CE1-CB 3.19Å; H81-S102 WeakPolarHBondContact ND1-CB 3.23Å; H81-S102 PolarHBondContact ND1-OG 2.78Å; H81-D104 VanDerWaalsContact CA-OD2 3.26Å; H81-D104 WeakPolarHBondContact CA-OD2 3.48Å; H81-D104 VanDerWaalsContact CB-OD2 3.26Å; H81-D104 WeakPolarHBondContact CB-OD2 3.45Å; H81-D104 IonicContact CE1-OD1 3.97Å; H81-D104 IonicContact CE1-OD2 3.42Å; H81-D104 IonicContact CG-OD2 3.3Å; H81-D104 IonicContact ND1-OD1 2.79Å; H81-D104 PolarHBondContact ND1-OD1 2.97Å; H81-D104 IonicContact ND1-OD2 3.85Å; H81-D104 PolarHBondContact ND1-OD2 2.96Å; H81-T106 PolarHBondContact CE1-OG1 2.93Å; H81-T106 VanDerWaalsContact CE1-OG1 3.24Å; H81-T106 PolarHBondContact ND1-OG1 2.89Å; H81-M108 VanDerWaalsContact CE1-CG 3.48Å; H81-M108 WeakPolarHBondContact CE1-CG 3.44Å
82	T	97.7	Very high	97.2	Very high	118 Å²	118	40.3 Å²	40.3	72%	0.724	24%	0.241	S	C	*	.	S	Bend	trans	-93.1	-6	-180	62.6	0	0	0	0	113.1	G57 D104	G57-T82 WeakPolarHBondContact CA-O 3.3Å; T82-D104 PolarHBondContact N-OD2 3.4Å; T82-D104 WeakPolarHBondContact OG1-CB 3.2Å
83	G	97.5	Very high	97.3	Very high	10 Å²	10	38.6 Å²	38.6	10%	0.103	23%	0.229	C	C	.	.	S	Bend	trans	-133.7	169.2	170.4	0	0	0	0	0	111.4	G57 G58 V85 S102	G57-G83 CarbonylContact C-O 3.47Å; G58-G83 WeakPolarHBondContact CA-O 3.34Å; G58-G83 PolarHBondContact N-O 2.97Å; G58-G83 VanDerWaalsContact N-O 3.09Å; G83-V85 PolarHBondContact O-N 2.78Å; G83-S102 PolarHBondContact O-OG 2.89Å
84	P	97.9	Very high	97.6	Very high	40 Å²	40	34.3 Å²	34.3	26%	0.26	21%	0.213	S	C	.	.			trans	-53.5	136.7	179.7	-27.2	32.1	0	0	0	113.9	V34 S102 E103	V34-P84 HydrophobicContact CG2-CB 3.84Å; V34-P84 HydrophobicContact CG2-CG 4.3Å; P84-S102 WeakPolarHBondContact O-CA 3.31Å; P84-S102 PolarHBondContact O-OG 3.15Å; P84-E103 HydrophobicContact CB-CG 4.27Å; P84-E103 WeakPolarHBondContact CD-OE2 3.19Å; P84-E103 HydrophobicContact CG-CG 4.42Å; P84-E103 PolarHBondContact O-N 2.93Å
85	V	98.6	Very high	97.8	Very high	3 Å²	3	33 Å²	33	2%	0.018	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	131.3	171	-177	0	0	0	0	108.6	I51 F60 H81 G83 I88	I51-V85 HydrophobicContact CD1-CB 4.45Å; I51-V85 HydrophobicContact CD1-CG1 3.9Å; I51-V85 HydrophobicContact CG1-CG1 4.19Å; I51-V85 HydrophobicContact CG2-CB 4.06Å; I51-V85 WeakPolarHBondContact CG2-O 3.47Å; F60-V85 HydrophobicContact CD1-CG2 4.36Å; H81-V85 HydrophobicContact CB-CG2 4.25Å; G83-V85 PolarHBondContact O-N 2.78Å; V85-I88 HydrophobicContact CG1-CG2 3.8Å
86	L	98.6	Very high	97.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	-26.4	-175.9	-64.4	-178.1	0	0	0	112.5	V34 W36 S38 G101 E103 R134	V34-L86 HydrophobicContact CG1-CD2 3.78Å; W36-L86 HydrophobicContact CB-CD2 4.18Å; W36-L86 HydrophobicContact CD2-CB 4.46Å; W36-L86 HydrophobicContact CD2-CD1 4.27Å; W36-L86 HydrophobicContact CD2-CD2 4.14Å; W36-L86 HydrophobicContact CE3-CD1 4.4Å; W36-L86 HydrophobicContact CE3-CD2 4.41Å; W36-L86 HydrophobicContact CG-CB 4.32Å; W36-L86 HydrophobicContact CG-CD2 4.03Å; W36-L86 HydrophobicContact CZ2-CD1 4.42Å; S38-L86 WeakPolarHBondContact CB-O 3.48Å; S38-L86 PolarHBondContact OG-O 2.97Å; L86-G101 PolarHBondContact N-O 2.96Å; L86-E103 HydrophobicContact CD1-CG 3.81Å; L86-E103 HydrophobicContact CD2-CG 3.91Å; L86-E103 HydrophobicContact CG-CG 3.94Å; L86-R134 HydrophobicContact CD1-CB 3.86Å; L86-R134 HydrophobicContact CD1-CG 4.1Å
87	D	98.8	Very high	98	Very high	20 Å²	20	33.1 Å²	33.1	11%	0.107	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	149.2	179.9	-158.2	16.4	0	0	0	111.1	S100 G101 I137 I138	D87-S100 CarbonylContact O-C 3.59Å; D87-S100 VanDerWaalsContact O-CA 3.31Å; D87-S100 WeakPolarHBondContact O-CA 3.26Å; D87-G101 PolarHBondContact N-O 2.97Å; D87-G101 PolarHBondContact O-N 2.92Å; D87-I137 WeakPolarHBondContact OD2-CA 3.38Å; D87-I138 HydrophobicContact CB-CG1 4.03Å; D87-I138 PolarHBondContact OD2-N 2.88Å
88	I	98.9	Very high	98.1	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.021	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	136.5	179.1	52.2	171.4	0	0	0	109.9	A42 A49 I51 F60 V85 I98 A99	A42-I88 HydrophobicContact CB-CD1 4.15Å; A42-I88 HydrophobicContact CB-CG1 4.04Å; A49-I88 HydrophobicContact CB-CD1 3.76Å; I51-I88 HydrophobicContact CD1-CG1 4.17Å; I51-I88 HydrophobicContact CD1-CG2 4.27Å; I51-I88 HydrophobicContact CG1-CD1 3.82Å; I51-I88 HydrophobicContact CG1-CG1 3.92Å; I51-I88 HydrophobicContact CG1-CG2 4.03Å; F60-I88 HydrophobicContact CB-CG2 4.45Å; F60-I88 HydrophobicContact CD1-CG2 4.14Å; F60-I88 HydrophobicContact CD2-CG2 4.43Å; F60-I88 HydrophobicContact CE1-CG2 4.49Å; F60-I88 HydrophobicContact CG-CG2 4.11Å; V85-I88 HydrophobicContact CG1-CG2 3.8Å; I88-I98 HydrophobicContact CB-CD1 4.14Å; I88-A99 WeakPolarHBondContact CA-O 3.5Å
89	D	98.9	Very high	98.1	Very high	52 Å²	52	31.5 Å²	31.5	28%	0.278	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	131.4	-178.9	-167.1	25	0	0	0	111.8	I98 A99 I138 A139 W140	D89-I98 WeakPolarHBondContact O-CG1 3.36Å; D89-A99 PolarHBondContact N-O 3.19Å; D89-A99 PolarHBondContact O-N 3.14Å; D89-I138 HydrophobicContact CB-CD1 3.97Å; D89-I138 HydrophobicContact CB-CG1 4.01Å; D89-A139 WeakPolarHBondContact OD2-CA 3.36Å; D89-W140 PolarHBondContact O-NE1 2.91Å; D89-W140 PolarHBondContact OD2-N 3.27Å
90	W	98.9	Very high	98.3	Very high	16 Å²	16	29.5 Å²	29.5	6%	0.061	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	138.6	179.5	-72.9	108	0	0	0	110.4	A42 N44 F47 A49 V62 P92 I98 I112 W140	A42-W90 VanDerWaalsContact C-NE1 3.31Å; A42-W90 PolarHBondContact O-NE1 3.13Å; N44-W90 HydrophobicContact CB-CB 4.13Å; N44-W90 HydrophobicContact CB-CD2 4.24Å; N44-W90 HydrophobicContact CB-CG 3.86Å; N44-W90 VanDerWaalsContact ND2-CD2 3.34Å; F47-W90 HydrophobicContact CB-CH2 3.54Å; F47-W90 HydrophobicContact CB-CZ2 3.42Å; F47-W90 VanDerWaalsContact CB-CZ2 3.42Å; F47-W90 HydrophobicContact CB-CZ3 4.49Å; F47-W90 AromaticContact CD2-CH2 3.76Å; F47-W90 HydrophobicContact CD2-CH2 3.76Å; F47-W90 HydrophobicContact CD2-CZ2 4.44Å; F47-W90 HydrophobicContact CD2-CZ3 4.03Å; F47-W90 AromaticContact CG-CH2 3.9Å; F47-W90 HydrophobicContact CG-CH2 3.9Å; F47-W90 HydrophobicContact CG-CZ2 4.29Å; A49-W90 HydrophobicContact CB-CZ2 3.71Å; V62-W90 HydrophobicContact CG1-CH2 3.78Å; V62-W90 HydrophobicContact CG1-CZ2 4.08Å; W90-P92 WeakPolarHBondContact O-CD 3.43Å; W90-I98 HydrophobicContact CD2-CB 4.05Å; W90-I98 HydrophobicContact CD2-CD1 3.95Å; W90-I98 HydrophobicContact CD2-CG1 4.03Å; W90-I98 HydrophobicContact CE3-CB 3.59Å; W90-I98 HydrophobicContact CE3-CD1 4.3Å; W90-I98 HydrophobicContact CE3-CG1 4.1Å; W90-I98 HydrophobicContact CG-CD1 4.48Å; W90-I98 HydrophobicContact CG-CG1 4.44Å; W90-I98 HydrophobicContact CH2-CB 4.22Å; W90-I98 HydrophobicContact CH2-CD1 4.22Å; W90-I98 HydrophobicContact CH2-CG2 4.46Å; W90-I98 HydrophobicContact CZ2-CD1 3.88Å; W90-I98 HydrophobicContact CZ3-CB 3.68Å; W90-I98 HydrophobicContact CZ3-CD1 4.43Å; W90-I98 HydrophobicContact CZ3-CG1 4.45Å; W90-I98 HydrophobicContact CZ3-CG2 4.19Å; W90-I112 HydrophobicContact CH2-CG1 3.9Å; W90-I112 HydrophobicContact CZ3-CG1 3.92Å; W90-W140 VanDerWaalsContact C-CD1 3.44Å
91	C	98.6	Very high	98.5	Very high	6 Å²	6	28.3 Å²	28.3	4%	0.041	16%	0.16	C	C	.	.			trans	-65.5	124.2	175.3	179.3	0	0	0	0	110.2	H93 N94 V97 W140	C91-H93 PolarHBondContact O-N 3.26Å; C91-H93 VanDerWaalsContact O-N 3.12Å; C91-N94 CarbonylContact O-C 3.54Å; C91-N94 PolarHBondContact O-N 3.46Å; C91-V97 HydrophobicContact CB-CB 3.78Å; C91-V97 HydrophobicContact CB-CG1 3.87Å; C91-V97 WeakPolarHBondContact CB-O 3.31Å; C91-V97 PolarHBondContact N-O 3.35Å; C91-W140 HydrophobicContact CB-CD2 4.04Å; C91-W140 HydrophobicContact CB-CE3 4.43Å; C91-W140 HydrophobicContact CB-CH2 4.38Å; C91-W140 HydrophobicContact CB-CZ2 3.98Å
92	P	98.3	Very high	98.5	Very high	72 Å²	72	27.9 Å²	27.9	47%	0.468	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-7.3	-179	29.1	-35.4	0	0	0	113.3	W90 W140	W90-P92 WeakPolarHBondContact O-CD 3.43Å; P92-W140 HydrophobicContact CG-CB 3.97Å
93	H	98.4	Very high	98.6	Very high	75 Å²	75	25 Å²	25	35%	0.347	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-3.1	-179.1	-44.8	121.5	0	0	0	113.3	C91 H141 P142 A144	C91-H93 PolarHBondContact O-N 3.26Å; C91-H93 VanDerWaalsContact O-N 3.12Å; H93-H141 PolarHBondContact CE1-O 3.14Å; H93-H141 VanDerWaalsContact CE1-O 3.26Å; H93-P142 PolarHBondContact NE2-O 2.81Å; H93-A144 PolarHBondContact CE1-O 2.93Å
94	N	98.3	Very high	98.6	Very high	55 Å²	55	26 Å²	26	29%	0.294	14%	0.139	S	C	.	.			trans	-155.3	110.9	176.9	-173.2	-14	0	0	0	110.6	C91 E96 V97	C91-N94 CarbonylContact O-C 3.54Å; C91-N94 PolarHBondContact O-N 3.46Å; N94-E96 PolarHBondContact O-N 3.28Å; N94-E96 PolarHBondContact OD1-N 3.44Å; N94-V97 HydrophobicContact CB-CB 4.19Å; N94-V97 HydrophobicContact CB-CG2 4.01Å; N94-V97 WeakPolarHBondContact ND2-CG2 3.47Å; N94-V97 PolarHBondContact O-N 3.16Å
95	D	98.6	Very high	98.7	Very high	58 Å²	58	25.7 Å²	25.7	31%	0.31	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-10.7	-178.1	-69	-27.1	0	0	0	114.2	N44 K46 F47	N44-D95 WeakPolarHBondContact ND2-CA 3.43Å; N44-D95 PolarHBondContact ND2-O 3.39Å; K46-D95 HydrophobicContact CB-CB 4.47Å; K46-D95 HydrophobicContact CD-CB 3.92Å; K46-D95 HydrophobicContact CG-CB 4.02Å; F47-D95 VanDerWaalsContact CD2-O 3.3Å; F47-D95 WeakPolarHBondContact CD2-O 3.37Å; F47-D95 WeakPolarHBondContact CE2-O 3.41Å
96	E	98.6	Very high	98.7	Very high	39 Å²	39	26.3 Å²	26.3	18%	0.182	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	2	178.6	-68.9	160.7	-160.5	0	0	112.7	K46 F47 N94 Q111 I112	K46-E96 HydrophobicContact CD-CG 4.47Å; K46-E96 IonicContact NZ-OE1 3.27Å; K46-E96 PolarHBondContact NZ-OE1 2.97Å; F47-E96 HydrophobicContact CE2-CG 4Å; F47-E96 HydrophobicContact CZ-CG 4.5Å; N94-E96 PolarHBondContact O-N 3.28Å; N94-E96 PolarHBondContact OD1-N 3.44Å; E96-Q111 CarbonylContact O-C 3.55Å; E96-Q111 PolarHBondContact OE2-NE2 3.26Å; E96-Q111 VanDerWaalsContact OE2-NE2 3.14Å; E96-I112 WeakPolarHBondContact CB-O 3.49Å; E96-I112 PolarHBondContact O-N 2.82Å
97	V	98.8	Very high	98.7	Very high	17 Å²	17	26.4 Å²	26.4	10%	0.103	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	127.5	-179.8	175.4	0	0	0	0	110.6	C91 N94 V109 W110 Q111 W140	C91-V97 HydrophobicContact CB-CB 3.78Å; C91-V97 HydrophobicContact CB-CG1 3.87Å; C91-V97 WeakPolarHBondContact CB-O 3.31Å; C91-V97 PolarHBondContact N-O 3.35Å; N94-V97 HydrophobicContact CB-CB 4.19Å; N94-V97 HydrophobicContact CB-CG2 4.01Å; N94-V97 WeakPolarHBondContact ND2-CG2 3.47Å; N94-V97 PolarHBondContact O-N 3.16Å; V97-V109 HydrophobicContact CG1-CG1 3.57Å; V97-W110 WeakPolarHBondContact CA-O 3.4Å; V97-Q111 VanDerWaalsContact CG2-OE1 3.31Å; V97-W140 HydrophobicContact CG1-CH2 4.03Å; V97-W140 HydrophobicContact CG1-CZ2 3.87Å
98	I	98.9	Very high	98.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	144	175.3	-166.2	174.2	0	0	0	109.9	A49 F60 I88 D89 W90 W110 I112	A49-I98 HydrophobicContact CB-CD1 3.56Å; F60-I98 HydrophobicContact CD2-CD1 4.48Å; F60-I98 HydrophobicContact CE2-CD1 3.93Å; F60-I98 HydrophobicContact CE2-CG2 3.9Å; F60-I98 HydrophobicContact CZ-CG2 3.9Å; I88-I98 HydrophobicContact CB-CD1 4.14Å; D89-I98 WeakPolarHBondContact O-CG1 3.36Å; W90-I98 HydrophobicContact CD2-CB 4.05Å; W90-I98 HydrophobicContact CD2-CD1 3.95Å; W90-I98 HydrophobicContact CD2-CG1 4.03Å; W90-I98 HydrophobicContact CE3-CB 3.59Å; W90-I98 HydrophobicContact CE3-CD1 4.3Å; W90-I98 HydrophobicContact CE3-CG1 4.1Å; W90-I98 HydrophobicContact CG-CD1 4.48Å; W90-I98 HydrophobicContact CG-CG1 4.44Å; W90-I98 HydrophobicContact CH2-CB 4.22Å; W90-I98 HydrophobicContact CH2-CD1 4.22Å; W90-I98 HydrophobicContact CH2-CG2 4.46Å; W90-I98 HydrophobicContact CZ2-CD1 3.88Å; W90-I98 HydrophobicContact CZ3-CB 3.68Å; W90-I98 HydrophobicContact CZ3-CD1 4.43Å; W90-I98 HydrophobicContact CZ3-CG1 4.45Å; W90-I98 HydrophobicContact CZ3-CG2 4.19Å; I98-W110 HydrophobicContact CG2-CB 3.9Å; I98-W110 HydrophobicContact CG2-CG 4.35Å; I98-W110 PolarHBondContact N-O 2.7Å; I98-W110 VanDerWaalsContact N-O 3.12Å; I98-W110 PolarHBondContact O-N 2.92Å; I98-I112 HydrophobicContact CG2-CD1 4.04Å; I98-I112 HydrophobicContact CG2-CG1 4.05Å
99	A	98.9	Very high	98.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	152	170.4	0	0	0	0	0	110.4	I88 D89 M108 V109 I138 W140 L148	I88-A99 WeakPolarHBondContact CA-O 3.5Å; D89-A99 PolarHBondContact N-O 3.19Å; D89-A99 PolarHBondContact O-N 3.14Å; A99-M108 CarbonylContact C-O 3.53Å; A99-M108 VanDerWaalsContact CA-O 3.31Å; A99-M108 WeakPolarHBondContact CA-O 3.28Å; A99-V109 HydrophobicContact CB-CG2 4.4Å; A99-I138 VanDerWaalsContact C-CD1 3.43Å; A99-I138 HydrophobicContact CB-CD1 3.8Å; A99-I138 WeakPolarHBondContact O-CD1 3.34Å; A99-W140 HydrophobicContact CB-CZ2 3.76Å; A99-L148 HydrophobicContact CB-CD1 4.23Å; A99-L148 HydrophobicContact CB-CD2 3.81Å
100	S	98.9	Very high	98.7	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	135.5	173.8	58	0	0	0	0	111.5	H81 D87 V107 M108 W110	H81-S100 PolarHBondContact CD2-OG 2.95Å; H81-S100 PolarHBondContact NE2-O 3.01Å; H81-S100 PolarHBondContact NE2-OG 3.39Å; D87-S100 CarbonylContact O-C 3.59Å; D87-S100 VanDerWaalsContact O-CA 3.31Å; D87-S100 WeakPolarHBondContact O-CA 3.26Å; S100-V107 CarbonylContact O-C 3.55Å; S100-V107 VanDerWaalsContact O-CA 3.27Å; S100-V107 WeakPolarHBondContact O-CA 3.48Å; S100-M108 PolarHBondContact N-O 2.84Å; S100-M108 PolarHBondContact O-N 3.47Å; S100-W110 PolarHBondContact OG-NE1 2.78Å
101	G	98.8	Very high	98.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	143.1	171	0	0	0	0	0	111	L86 D87 V135	L86-G101 PolarHBondContact N-O 2.96Å; D87-G101 PolarHBondContact N-O 2.97Å; D87-G101 PolarHBondContact O-N 2.92Å; G101-V135 CarbonylContact C-O 3.59Å
102	S	98.7	Very high	98.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	162	-168.4	171.4	0	0	0	0	114.7	H81 G83 P84 D104 C105 T106 R134 V135	H81-S102 WeakPolarHBondContact CE1-CB 3.19Å; H81-S102 WeakPolarHBondContact ND1-CB 3.23Å; H81-S102 PolarHBondContact ND1-OG 2.78Å; G83-S102 PolarHBondContact O-OG 2.89Å; P84-S102 WeakPolarHBondContact O-CA 3.31Å; P84-S102 PolarHBondContact O-OG 3.15Å; S102-D104 VanDerWaalsContact CB-OD1 3.25Å; S102-D104 WeakPolarHBondContact CB-OD1 3.45Å; S102-D104 PolarHBondContact O-N 2.97Å; S102-D104 PolarHBondContact OG-N 3.34Å; S102-D104 VanDerWaalsContact OG-N 3.14Å; S102-D104 PolarHBondContact OG-OD1 2.86Å; S102-D104 PolarHBondContact OG-OD2 2.81Å; S102-C105 PolarHBondContact O-N 3.44Å; S102-T106 PolarHBondContact N-O 2.92Å; S102-R134 WeakPolarHBondContact O-CA 3.32Å; S102-V135 PolarHBondContact N-O 3.3Å; S102-V135 PolarHBondContact O-N 2.91Å
103	E	98.3	Very high	98.6	Very high	59 Å²	59	25.8 Å²	25.8	28%	0.276	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-20.2	167.6	-72.2	-162.5	165.2	0	0	114.3	P84 L86 C105 R134	P84-E103 HydrophobicContact CB-CG 4.27Å; P84-E103 WeakPolarHBondContact CD-OE2 3.19Å; P84-E103 HydrophobicContact CG-CG 4.42Å; P84-E103 PolarHBondContact O-N 2.93Å; L86-E103 HydrophobicContact CD1-CG 3.81Å; L86-E103 HydrophobicContact CD2-CG 3.91Å; L86-E103 HydrophobicContact CG-CG 3.94Å; E103-C105 PolarHBondContact O-N 3.02Å; E103-R134 HydrophobicContact CB-CB 4.35Å; E103-R134 HydrophobicContact CG-CB 4.24Å; E103-R134 IonicContact OE1-CZ 3.8Å; E103-R134 IonicContact OE1-NH1 3.9Å; E103-R134 PolarHBondContact OE1-NH1 3.1Å; E103-R134 IonicContact OE1-NH2 3.83Å; E103-R134 PolarHBondContact OE1-NH2 3.01Å; E103-R134 IonicContact OE2-NH2 3.41Å
104	D	98.4	Very high	98.4	Very high	30 Å²	30	28.4 Å²	28.4	16%	0.16	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	7	174.3	64.1	28	0	0	0	114.5	H81 T82 S102 T106	H81-D104 VanDerWaalsContact CA-OD2 3.26Å; H81-D104 WeakPolarHBondContact CA-OD2 3.48Å; H81-D104 VanDerWaalsContact CB-OD2 3.26Å; H81-D104 WeakPolarHBondContact CB-OD2 3.45Å; H81-D104 IonicContact CE1-OD1 3.97Å; H81-D104 IonicContact CE1-OD2 3.42Å; H81-D104 IonicContact CG-OD2 3.3Å; H81-D104 IonicContact ND1-OD1 2.79Å; H81-D104 PolarHBondContact ND1-OD1 2.97Å; H81-D104 IonicContact ND1-OD2 3.85Å; H81-D104 PolarHBondContact ND1-OD2 2.96Å; T82-D104 PolarHBondContact N-OD2 3.4Å; T82-D104 WeakPolarHBondContact OG1-CB 3.2Å; S102-D104 VanDerWaalsContact CB-OD1 3.25Å; S102-D104 WeakPolarHBondContact CB-OD1 3.45Å; S102-D104 PolarHBondContact O-N 2.97Å; S102-D104 PolarHBondContact OG-N 3.34Å; S102-D104 VanDerWaalsContact OG-N 3.14Å; S102-D104 PolarHBondContact OG-OD1 2.86Å; S102-D104 PolarHBondContact OG-OD2 2.81Å; D104-T106 PolarHBondContact O-N 3.28Å; D104-T106 WeakPolarHBondContact OD1-CB 3.43Å; D104-T106 PolarHBondContact OD1-N 3.02Å; D104-T106 PolarHBondContact OD1-OG1 2.85Å
105	C	98.8	Very high	98.2	Very high	33 Å²	33	32.6 Å²	32.6	22%	0.223	17%	0.171	C	C	.	.	S	Bend	trans	71.2	6.4	177.8	-44.9	0	0	0	0	114.9	S102 E103 K133	S102-C105 PolarHBondContact O-N 3.44Å; E103-C105 PolarHBondContact O-N 3.02Å; C105-K133 WeakPolarHBondContact SG-CA 3.43Å
106	T	98.8	Very high	98	Very high	17 Å²	17	29.9 Å²	29.9	10%	0.104	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	157.5	177.6	71	0	0	0	0	112	H81 S102 D104 V127 E129	H81-T106 PolarHBondContact CE1-OG1 2.93Å; H81-T106 VanDerWaalsContact CE1-OG1 3.24Å; H81-T106 PolarHBondContact ND1-OG1 2.89Å; S102-T106 PolarHBondContact N-O 2.92Å; D104-T106 PolarHBondContact O-N 3.28Å; D104-T106 WeakPolarHBondContact OD1-CB 3.43Å; D104-T106 PolarHBondContact OD1-N 3.02Å; D104-T106 PolarHBondContact OD1-OG1 2.85Å; T106-V127 HydrophobicContact CG2-CG1 4.31Å; T106-E129 HydrophobicContact CG2-CG 4.35Å
107	V	98.9	Very high	98	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	128.7	159.8	177.7	0	0	0	0	108.1	S100 L128 V135 I138 L148	S100-V107 CarbonylContact O-C 3.55Å; S100-V107 VanDerWaalsContact O-CA 3.27Å; S100-V107 WeakPolarHBondContact O-CA 3.48Å; V107-L128 HydrophobicContact CB-CB 4.16Å; V107-L128 HydrophobicContact CB-CD1 4.23Å; V107-L128 HydrophobicContact CG1-CD1 4.08Å; V107-L128 PolarHBondContact N-O 3.47Å; V107-L128 VanDerWaalsContact N-O 3.13Å; V107-L128 PolarHBondContact O-N 3.39Å; V107-V135 HydrophobicContact CG2-CB 4.2Å; V107-V135 HydrophobicContact CG2-CG1 3.62Å; V107-V135 HydrophobicContact CG2-CG2 4.31Å; V107-I138 HydrophobicContact CG1-CG2 4.17Å; V107-I138 HydrophobicContact CG2-CG2 3.98Å; V107-L148 HydrophobicContact CG1-CD2 3.71Å
108	M	98.9	Very high	97.8	Very high	18 Å²	18	34 Å²	34	9%	0.089	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	142.4	177.6	-69	-178.5	179.9	0	0	110.4	H81 A99 S100 W110 P124 V126 V127	H81-M108 VanDerWaalsContact CE1-CG 3.48Å; H81-M108 WeakPolarHBondContact CE1-CG 3.44Å; A99-M108 CarbonylContact C-O 3.53Å; A99-M108 VanDerWaalsContact CA-O 3.31Å; A99-M108 WeakPolarHBondContact CA-O 3.28Å; S100-M108 PolarHBondContact N-O 2.84Å; S100-M108 PolarHBondContact O-N 3.47Å; M108-W110 HydrophobicContact CB-CH2 4.39Å; M108-W110 HydrophobicContact CB-CZ2 3.5Å; M108-W110 VanDerWaalsContact CB-CZ2 3.5Å; M108-W110 HydrophobicContact CG-CZ2 4.08Å; M108-W110 PolarHBondContact O-NE1 2.8Å; M108-W110 HydrophobicContact SD-CH2 3.66Å; M108-W110 HydrophobicContact SD-CZ2 3.43Å; M108-W110 WeakPolarHBondContact SD-CZ2 3.33Å; M108-P124 HydrophobicContact CB-CB 3.92Å; M108-P124 HydrophobicContact CB-CG 4.38Å; M108-P124 HydrophobicContact CG-CB 4.21Å; M108-P124 HydrophobicContact CG-CG 4.11Å; M108-P124 HydrophobicContact SD-CB 4.34Å; M108-P124 HydrophobicContact SD-CG 3.93Å; M108-V126 WeakPolarHBondContact CA-O 3.48Å; M108-V127 HydrophobicContact CE-CG1 4.4Å; M108-V127 HydrophobicContact CE-CG2 4.44Å; M108-V127 HydrophobicContact CG-CG1 4.43Å; M108-V127 HydrophobicContact CG-CG2 4.35Å
109	V	98.9	Very high	97.7	Very high	6 Å²	6	37.5 Å²	37.5	4%	0.036	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	132.1	175.5	-175.4	0	0	0	0	109.2	V97 A99 P124 V125 V126 L128 W140 L148 V162	V97-V109 HydrophobicContact CG1-CG1 3.57Å; A99-V109 HydrophobicContact CB-CG2 4.4Å; V109-P124 WeakPolarHBondContact O-CB 3.39Å; V109-V125 PolarHBondContact O-N 2.94Å; V109-V126 HydrophobicContact CB-CB 4.08Å; V109-V126 HydrophobicContact CB-CG2 4.47Å; V109-V126 HydrophobicContact CG2-CB 4.3Å; V109-V126 PolarHBondContact N-O 3.19Å; V109-V126 PolarHBondContact O-N 2.88Å; V109-L128 HydrophobicContact CG2-CD1 4.49Å; V109-W140 HydrophobicContact CG1-CH2 4.06Å; V109-W140 HydrophobicContact CG1-CZ2 4.15Å; V109-W140 HydrophobicContact CG2-CH2 4.41Å; V109-L148 HydrophobicContact CG2-CD2 4.45Å; V109-V162 HydrophobicContact CG2-CB 4.32Å; V109-V162 HydrophobicContact CG2-CG1 4.12Å
110	W	98.8	Very high	97.6	Very high	1 Å²	1	41.1 Å²	41.1	0%	0.004	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	140.1	-170.5	-48	87.8	0	0	0	110.5	F60 V78 V97 I98 S100 M108 I112 L121 P124	F60-W110 AromaticContact CE1-NE1 3.74Å; F60-W110 AromaticContact CZ-CD1 3.69Å; F60-W110 HydrophobicContact CZ-CG 4.13Å; F60-W110 AromaticContact CZ-NE1 3.86Å; V78-W110 HydrophobicContact CG1-CD2 3.31Å; V78-W110 HydrophobicContact CG1-CE3 3.36Å; V78-W110 HydrophobicContact CG1-CG 3.88Å; V78-W110 HydrophobicContact CG1-CH2 3.91Å; V78-W110 HydrophobicContact CG1-CZ2 3.85Å; V78-W110 HydrophobicContact CG1-CZ3 3.66Å; V97-W110 WeakPolarHBondContact CA-O 3.4Å; I98-W110 HydrophobicContact CG2-CB 3.9Å; I98-W110 HydrophobicContact CG2-CG 4.35Å; I98-W110 PolarHBondContact N-O 2.7Å; I98-W110 VanDerWaalsContact N-O 3.12Å; I98-W110 PolarHBondContact O-N 2.92Å; S100-W110 PolarHBondContact OG-NE1 2.78Å; M108-W110 HydrophobicContact CB-CH2 4.39Å; M108-W110 HydrophobicContact CB-CZ2 3.5Å; M108-W110 VanDerWaalsContact CB-CZ2 3.5Å; M108-W110 HydrophobicContact CG-CZ2 4.08Å; M108-W110 PolarHBondContact O-NE1 2.8Å; M108-W110 HydrophobicContact SD-CH2 3.66Å; M108-W110 HydrophobicContact SD-CZ2 3.43Å; M108-W110 WeakPolarHBondContact SD-CZ2 3.33Å; W110-I112 HydrophobicContact CB-CD1 4.31Å; W110-L121 HydrophobicContact CB-CD2 4.19Å; W110-L121 HydrophobicContact CE3-CD2 3.97Å; W110-L121 HydrophobicContact CE3-CG 4.03Å; W110-L121 HydrophobicContact CZ3-CG 4.46Å; W110-P124 HydrophobicContact CD2-CB 4.08Å; W110-P124 HydrophobicContact CE3-CB 3.81Å; W110-P124 HydrophobicContact CH2-CB 3.9Å; W110-P124 HydrophobicContact CH2-CG 4.22Å; W110-P124 HydrophobicContact CZ2-CB 4.18Å; W110-P124 HydrophobicContact CZ3-CB 3.73Å; W110-P124 HydrophobicContact CZ3-CG 4.27Å
111	Q	98.5	Very high	97.6	Very high	74 Å²	74	42.9 Å²	42.9	35%	0.346	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	115	167	179.5	72.6	42.8	0	0	108.3	E96 V97 V125	E96-Q111 CarbonylContact O-C 3.55Å; E96-Q111 PolarHBondContact OE2-NE2 3.26Å; E96-Q111 VanDerWaalsContact OE2-NE2 3.14Å; V97-Q111 VanDerWaalsContact CG2-OE1 3.31Å; Q111-V125 HydrophobicContact CB-CG2 3.62Å
112	I	98.6	Very high	97.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.261	C	S	.	.			trans	-85.4	131.6	177	-54.3	-53.4	0	0	0	108.5	F47 V62 V78 W90 E96 I98 W110 L121	F47-I112 HydrophobicContact CD1-CG2 4.38Å; F47-I112 HydrophobicContact CD2-CG2 4.47Å; F47-I112 HydrophobicContact CE1-CG2 4.07Å; F47-I112 HydrophobicContact CE2-CG2 4.17Å; F47-I112 HydrophobicContact CZ-CG2 3.96Å; V62-I112 HydrophobicContact CG1-CD1 4.45Å; V62-I112 HydrophobicContact CG1-CG1 4.29Å; V62-I112 HydrophobicContact CG1-CG2 3.81Å; V62-I112 HydrophobicContact CG2-CD1 4.06Å; V78-I112 HydrophobicContact CG2-CD1 4Å; W90-I112 HydrophobicContact CH2-CG1 3.9Å; W90-I112 HydrophobicContact CZ3-CG1 3.92Å; E96-I112 WeakPolarHBondContact CB-O 3.49Å; E96-I112 PolarHBondContact O-N 2.82Å; I98-I112 HydrophobicContact CG2-CD1 4.04Å; I98-I112 HydrophobicContact CG2-CG1 4.05Å; W110-I112 HydrophobicContact CB-CD1 4.31Å; I112-L121 HydrophobicContact CD1-CD2 4.05Å
113	P	97.8	Very high	97.5	Very high	59 Å²	59	53 Å²	53	38%	0.383	29%	0.294	S	S	.	.			trans	-61.3	143.5	173.5	-19.6	31.3	0	0	0	111.2	N115 G116	P113-N115 PolarHBondContact O-N 3.47Å; P113-G116 WeakPolarHBondContact O-CA 3.22Å; P113-G116 PolarHBondContact O-N 3.18Å
114	E	93.6	Very high	97.5	Very high	129 Å²	129	51.5 Å²	51.5	60%	0.603	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	-36.3	-177.1	-177	176.2	-160.1	0	0	113.6	F47 G116	F47-E114 WeakPolarHBondContact CZ-O 3.19Å; E114-G116 VanDerWaalsContact C-N 3.35Å
115	N	93.2	Very high	97.4	Very high	143 Å²	143	55 Å²	55	77%	0.765	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	12.5	-178.9	-63.8	-53.5	0	0	0	113.9	P113	P113-N115 PolarHBondContact O-N 3.47Å
116	G	95.5	Very high	97.4	Very high	2 Å²	2	54.5 Å²	54.5	2%	0.021	31%	0.307	C	S	.	.			trans	78.8	-174.7	-172.6	0	0	0	0	0	113.3	P113 E114	P113-G116 WeakPolarHBondContact O-CA 3.22Å; P113-G116 PolarHBondContact O-N 3.18Å; E114-G116 VanDerWaalsContact C-N 3.35Å
117	L	97.3	Very high	97.4	Very high	10 Å²	10	56.5 Å²	56.5	5%	0.052	32%	0.319	C	S	.	.			trans	-79	131.4	-173.9	-60.4	177.9	0	0	0	111.8	V62 Y75 P76 V78 L121	V62-L117 HydrophobicContact CB-CD1 4.33Å; Y75-L117 PolarHBondContact OH-O 3.03Å; P76-L117 HydrophobicContact CB-CB 3.98Å; P76-L117 HydrophobicContact CG-CB 3.62Å; P76-L117 VanDerWaalsContact CG-O 3.32Å; P76-L117 WeakPolarHBondContact CG-O 3.38Å; P76-L117 WeakPolarHBondContact O-CD1 3.44Å; V78-L117 HydrophobicContact CG2-CD1 3.94Å; L117-L121 HydrophobicContact CD2-CB 3.96Å; L117-L121 HydrophobicContact CD2-CD2 4.38Å
118	T	95.9	Very high	97.4	Very high	133 Å²	133	56.6 Å²	56.6	82%	0.816	32%	0.32	S	S	*	.	S	Bend	trans	-104.7	-22.9	171.3	53.9	0	0	0	0	112.9
119	S	96.8	Very high	97.4	Very high	73 Å²	73	63 Å²	63	51%	0.51	35%	0.349	S	S	.	.	S	Bend	trans	-142.6	160.5	174.9	55.9	0	0	0	0	108.5	P76 L121	P76-S119 WeakPolarHBondContact CB-O 3.38Å; S119-L121 PolarHBondContact O-N 2.82Å
120	P	97.1	Very high	97.3	Very high	75 Å²	75	63.8 Å²	63.8	49%	0.487	36%	0.359	S	S	.	.			trans	-54.4	135	174.6	-24.2	34.3	0	0	0	110.8	P76 T77	P76-P120 HydrophobicContact CB-CG 4.38Å; T77-P120 VanDerWaalsContact O-CA 3.32Å; T77-P120 WeakPolarHBondContact O-CA 3.17Å
121	L	98.1	Very high	97.3	Very high	38 Å²	38	64.4 Å²	64.4	20%	0.199	36%	0.362	C	S	.	.	B	Isolated β-bridge	trans	-96	105.9	176.7	-178.1	66	0	0	0	108.3	T77 V78 C79 W110 I112 L117 S119	T77-L121 PolarHBondContact O-N 3.09Å; V78-L121 CarbonylContact C-O 3.58Å; V78-L121 WeakPolarHBondContact CA-O 3.44Å; V78-L121 HydrophobicContact CG1-CB 4.44Å; V78-L121 HydrophobicContact CG1-CD2 4.31Å; V78-L121 HydrophobicContact CG2-CB 4.3Å; V78-L121 HydrophobicContact CG2-CD2 4.2Å; C79-L121 PolarHBondContact N-O 2.87Å; W110-L121 HydrophobicContact CB-CD2 4.19Å; W110-L121 HydrophobicContact CE3-CD2 3.97Å; W110-L121 HydrophobicContact CE3-CG 4.03Å; W110-L121 HydrophobicContact CZ3-CG 4.46Å; I112-L121 HydrophobicContact CD1-CD2 4.05Å; L117-L121 HydrophobicContact CD2-CB 3.96Å; L117-L121 HydrophobicContact CD2-CD2 4.38Å; S119-L121 PolarHBondContact O-N 2.82Å
122	T	97.2	Very high	97.3	Very high	67 Å²	67	66.2 Å²	66.2	41%	0.411	38%	0.378	S	S	.	.			trans	-103.6	-27.1	-174.2	59	0	0	0	0	113.3	C79 G80 P124	C79-T122 WeakPolarHBondContact O-CA 3.47Å; C79-T122 WeakPolarHBondContact O-CG2 3.25Å; G80-T122 WeakPolarHBondContact CA-O 3.42Å; T122-P124 WeakPolarHBondContact O-CD 3.42Å
123	E	97.4	Very high	97.3	Very high	146 Å²	146	71.5 Å²	71.5	68%	0.682	40%	0.401	S	S	*	.			trans	-99	114.8	-176.9	-60.2	-56.6	142.5	0	0	110.3
124	P	98.1	Very high	97.4	Very high	27 Å²	27	73.2 Å²	73.2	18%	0.175	40%	0.4	C	S	.	.			trans	-73.6	157.2	171.5	32	-34.7	0	0	0	110.6	M108 V109 W110 T122 V126 V127	M108-P124 HydrophobicContact CB-CB 3.92Å; M108-P124 HydrophobicContact CB-CG 4.38Å; M108-P124 HydrophobicContact CG-CB 4.21Å; M108-P124 HydrophobicContact CG-CG 4.11Å; M108-P124 HydrophobicContact SD-CB 4.34Å; M108-P124 HydrophobicContact SD-CG 3.93Å; V109-P124 WeakPolarHBondContact O-CB 3.39Å; W110-P124 HydrophobicContact CD2-CB 4.08Å; W110-P124 HydrophobicContact CE3-CB 3.81Å; W110-P124 HydrophobicContact CH2-CB 3.9Å; W110-P124 HydrophobicContact CH2-CG 4.22Å; W110-P124 HydrophobicContact CZ2-CB 4.18Å; W110-P124 HydrophobicContact CZ3-CB 3.73Å; W110-P124 HydrophobicContact CZ3-CG 4.27Å; T122-P124 WeakPolarHBondContact O-CD 3.42Å; P124-V126 VanDerWaalsContact C-N 3.34Å; P124-V127 HydrophobicContact CB-CG2 4.46Å; P124-V127 HydrophobicContact CG-CG2 3.47Å; P124-V127 VanDerWaalsContact CG-CG2 3.47Å
125	V	98	Very high	97.6	Very high	102 Å²	102	67.1 Å²	67.1	62%	0.618	37%	0.371	S	S	*	.	S	Bend	trans	-74.3	-32.6	173.1	-175.2	0	0	0	0	110.5	V109 Q111	V109-V125 PolarHBondContact O-N 2.94Å; Q111-V125 HydrophobicContact CB-CG2 3.62Å
126	V	98.3	Very high	97.9	Very high	23 Å²	23	60.4 Å²	60.4	14%	0.139	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	135.7	-179.5	-172.3	0	0	0	0	109.1	M108 V109 P124 L128 V162 A165	M108-V126 WeakPolarHBondContact CA-O 3.48Å; V109-V126 HydrophobicContact CB-CB 4.08Å; V109-V126 HydrophobicContact CB-CG2 4.47Å; V109-V126 HydrophobicContact CG2-CB 4.3Å; V109-V126 PolarHBondContact N-O 3.19Å; V109-V126 PolarHBondContact O-N 2.88Å; P124-V126 VanDerWaalsContact C-N 3.34Å; V126-L128 HydrophobicContact CG1-CD2 3.59Å; V126-L128 HydrophobicContact CG1-CG 4.08Å; V126-V162 WeakPolarHBondContact CG2-O 3.43Å; V126-A165 HydrophobicContact CG1-CB 3.86Å
127	V	98.6	Very high	98	Very high	59 Å²	59	61.1 Å²	61.1	36%	0.358	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	126	166.7	-172.9	0	0	0	0	107.6	T106 M108 P124 E129	T106-V127 HydrophobicContact CG2-CG1 4.31Å; M108-V127 HydrophobicContact CE-CG1 4.4Å; M108-V127 HydrophobicContact CE-CG2 4.44Å; M108-V127 HydrophobicContact CG-CG1 4.43Å; M108-V127 HydrophobicContact CG-CG2 4.35Å; P124-V127 HydrophobicContact CB-CG2 4.46Å; P124-V127 HydrophobicContact CG-CG2 3.47Å; P124-V127 VanDerWaalsContact CG-CG2 3.47Å; V127-E129 HydrophobicContact CG1-CG 3.96Å
128	L	98.8	Very high	98.1	Very high	3 Å²	3	61 Å²	61	2%	0.016	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	111.9	178.6	-54.4	171.1	0	0	0	108.2	V107 V109 V126 L148 W160 V162 A165	V107-L128 HydrophobicContact CB-CB 4.16Å; V107-L128 HydrophobicContact CB-CD1 4.23Å; V107-L128 HydrophobicContact CG1-CD1 4.08Å; V107-L128 PolarHBondContact N-O 3.47Å; V107-L128 VanDerWaalsContact N-O 3.13Å; V107-L128 PolarHBondContact O-N 3.39Å; V109-L128 HydrophobicContact CG2-CD1 4.49Å; V126-L128 HydrophobicContact CG1-CD2 3.59Å; V126-L128 HydrophobicContact CG1-CG 4.08Å; L128-L148 HydrophobicContact CD1-CD2 3.99Å; L128-W160 HydrophobicContact CB-CD2 4.1Å; L128-W160 HydrophobicContact CB-CE3 4.2Å; L128-W160 HydrophobicContact CB-CH2 4.31Å; L128-W160 HydrophobicContact CB-CZ2 4.19Å; L128-W160 HydrophobicContact CB-CZ3 4.31Å; L128-W160 HydrophobicContact CD1-CB 3.97Å; L128-W160 HydrophobicContact CD1-CD2 4.04Å; L128-W160 HydrophobicContact CD1-CG 3.73Å; L128-W160 HydrophobicContact CD2-CB 4.43Å; L128-W160 HydrophobicContact CD2-CD2 4.22Å; L128-W160 HydrophobicContact CD2-CE3 3.98Å; L128-W160 HydrophobicContact CD2-CG 4.44Å; L128-W160 HydrophobicContact CG-CD2 4.35Å; L128-W160 HydrophobicContact CG-CE3 4.49Å; L128-V162 HydrophobicContact CD1-CG1 4.2Å; L128-A165 HydrophobicContact CD2-CB 4.26Å
129	E	98.4	Very high	98.2	Very high	152 Å²	152	55.3 Å²	55.3	71%	0.71	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.6	127.7	-178.8	-59.5	-174.5	154.6	0	0	109.5	T106 V127 W160	T106-E129 HydrophobicContact CG2-CG 4.35Å; V127-E129 HydrophobicContact CG1-CG 3.96Å; E129-W160 WeakPolarHBondContact O-CH2 3.26Å
130	G	98.1	Very high	98.3	Very high	23 Å²	23	52.4 Å²	52.4	24%	0.237	28%	0.283	C	S	.	.			trans	172.9	-18.2	179.8	0	0	0	0	0	115	R170	G130-R170 PolarHBondContact O-NH2 3.33Å; G130-R170 VanDerWaalsContact O-NH2 3.14Å
131	H	98.8	Very high	98.4	Very high	14 Å²	14	50 Å²	50	7%	0.065	27%	0.265	C	S	.	.			trans	-80.5	146.3	166.3	-73.2	-72.1	0	0	0	111	V135 S150 G152 D154 V156	H131-V135 HydrophobicContact CB-CG2 3.63Å; H131-V135 VanDerWaalsContact CD2-CG2 3.4Å; H131-V135 WeakPolarHBondContact CD2-CG2 3.37Å; H131-S150 PolarHBondContact CD2-OG 2.88Å; H131-S150 PolarHBondContact NE2-OG 2.93Å; H131-G152 PolarHBondContact CE1-N 2.86Å; H131-G152 VanDerWaalsContact CE1-N 3.34Å; H131-D154 VanDerWaalsContact CA-OD2 3.25Å; H131-D154 WeakPolarHBondContact CA-OD2 3.31Å; H131-D154 IonicContact CE1-OD1 3.38Å; H131-D154 IonicContact CG-OD2 3.54Å; H131-D154 IonicContact ND1-OD1 2.76Å; H131-D154 PolarHBondContact ND1-OD1 3.45Å; H131-D154 IonicContact ND1-OD2 3.19Å; H131-D154 PolarHBondContact ND1-OD2 2.87Å; H131-V156 PolarHBondContact CE1-O 2.96Å; H131-V156 VanDerWaalsContact CE1-O 3.27Å
132	T	98.5	Very high	98.4	Very high	112 Å²	112	50.3 Å²	50.3	69%	0.687	27%	0.269	S	S	*	.	S	Bend	trans	-103.5	-4.4	179.9	58.5	0	0	0	0	113.1	D154	T132-D154 PolarHBondContact N-OD2 2.92Å; T132-D154 WeakPolarHBondContact OG1-CB 3.24Å; T132-D154 PolarHBondContact OG1-OD2 2.9Å
133	K	98.7	Very high	98.5	Very high	112 Å²	112	51.1 Å²	51.1	49%	0.487	27%	0.274	S	S	.	.	S	Bend	trans	-139.8	168.2	175.7	-67.1	178.9	-178.3	171.2	0	109	C105 V135 C153 D154	C105-K133 WeakPolarHBondContact SG-CA 3.43Å; K133-V135 PolarHBondContact O-N 2.75Å; K133-C153 HydrophobicContact CB-CB 3.94Å; K133-C153 HydrophobicContact CD-CB 4.3Å; K133-C153 WeakPolarHBondContact CD-O 3.32Å; K133-D154 HydrophobicContact CB-CB 4.19Å; K133-D154 HydrophobicContact CD-CB 4.25Å; K133-D154 HydrophobicContact CG-CB 4.26Å
134	R	98.5	Very high	98.5	Very high	95 Å²	95	45.7 Å²	45.7	36%	0.358	26%	0.255	S	S	.	.			trans	-41.4	136.4	178.9	66.7	-178.4	69.3	-154.4	-11.9	113	L86 S102 E103 G152 C153	L86-R134 HydrophobicContact CD1-CB 3.86Å; L86-R134 HydrophobicContact CD1-CG 4.1Å; S102-R134 WeakPolarHBondContact O-CA 3.32Å; E103-R134 HydrophobicContact CB-CB 4.35Å; E103-R134 HydrophobicContact CG-CB 4.24Å; E103-R134 IonicContact OE1-CZ 3.8Å; E103-R134 IonicContact OE1-NH1 3.9Å; E103-R134 PolarHBondContact OE1-NH1 3.1Å; E103-R134 IonicContact OE1-NH2 3.83Å; E103-R134 PolarHBondContact OE1-NH2 3.01Å; E103-R134 IonicContact OE2-NH2 3.41Å; R134-G152 CarbonylContact O-C 3.58Å; R134-G152 VanDerWaalsContact O-CA 3.32Å; R134-G152 WeakPolarHBondContact O-CA 3.34Å; R134-C153 HydrophobicContact CG-CB 3.7Å; R134-C153 WeakPolarHBondContact CG-SG 3.47Å; R134-C153 PolarHBondContact O-N 2.92Å
135	V	98.8	Very high	98.5	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	115.6	175.9	-173.5	0	0	0	0	108.1	G101 S102 V107 H131 K133 I138	G101-V135 CarbonylContact C-O 3.59Å; S102-V135 PolarHBondContact N-O 3.3Å; S102-V135 PolarHBondContact O-N 2.91Å; V107-V135 HydrophobicContact CG2-CB 4.2Å; V107-V135 HydrophobicContact CG2-CG1 3.62Å; V107-V135 HydrophobicContact CG2-CG2 4.31Å; H131-V135 HydrophobicContact CB-CG2 3.63Å; H131-V135 VanDerWaalsContact CD2-CG2 3.4Å; H131-V135 WeakPolarHBondContact CD2-CG2 3.37Å; K133-V135 PolarHBondContact O-N 2.75Å; V135-I138 HydrophobicContact CG1-CG2 4.23Å
136	G	98.3	Very high	98.5	Very high	3 Å²	3	51.3 Å²	51.3	3%	0.031	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	14	-176.8	0	0	0	0	0	114.4	W36 A151	W36-G136 PolarHBondContact NE1-O 3.42Å; G136-A151 PolarHBondContact N-O 3.43Å
137	I	98.8	Very high	98.5	Very high	16 Å²	16	51.2 Å²	51.2	8%	0.082	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	121.5	173.2	-57.6	165.7	0	0	0	107	D87 S150 A151 I179 V182	D87-I137 WeakPolarHBondContact OD2-CA 3.38Å; I137-S150 CarbonylContact O-C 3.56Å; I137-S150 WeakPolarHBondContact O-CA 3.44Å; I137-A151 HydrophobicContact CB-CB 4.07Å; I137-A151 HydrophobicContact CD1-CB 4.22Å; I137-A151 HydrophobicContact CG2-CB 4.44Å; I137-A151 PolarHBondContact N-O 3.24Å; I137-A151 PolarHBondContact O-N 3.06Å; I137-I179 HydrophobicContact CD1-CB 4.19Å; I137-I179 HydrophobicContact CD1-CG2 3.79Å; I137-I179 WeakPolarHBondContact CD1-O 3.21Å; I137-V182 HydrophobicContact CG2-CB 4.3Å; I137-V182 HydrophobicContact CG2-CG1 4.35Å; I137-V182 HydrophobicContact CG2-CG2 3.35Å
138	I	98.8	Very high	98.5	Very high	8 Å²	8	48.4 Å²	48.4	4%	0.041	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	149.1	168.5	58.4	171.3	0	0	0	109.8	D87 D89 A99 V107 V135 L148 L149	D87-I138 HydrophobicContact CB-CG1 4.03Å; D87-I138 PolarHBondContact OD2-N 2.88Å; D89-I138 HydrophobicContact CB-CD1 3.97Å; D89-I138 HydrophobicContact CB-CG1 4.01Å; A99-I138 VanDerWaalsContact C-CD1 3.43Å; A99-I138 HydrophobicContact CB-CD1 3.8Å; A99-I138 WeakPolarHBondContact O-CD1 3.34Å; V107-I138 HydrophobicContact CG1-CG2 4.17Å; V107-I138 HydrophobicContact CG2-CG2 3.98Å; V135-I138 HydrophobicContact CG1-CG2 4.23Å; I138-L148 HydrophobicContact CB-CD1 4.49Å; I138-L149 CarbonylContact C-O 3.53Å; I138-L149 VanDerWaalsContact CA-O 3.29Å; I138-L149 WeakPolarHBondContact CA-O 3.27Å
139	A	98.7	Very high	98.5	Very high	14 Å²	14	48.2 Å²	48.2	12%	0.116	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	116.4	177.1	0	0	0	0	0	111	D89 L149 V182 W184	D89-A139 WeakPolarHBondContact OD2-CA 3.36Å; A139-L149 PolarHBondContact N-O 3.37Å; A139-L149 WeakPolarHBondContact O-CB 3.47Å; A139-L149 PolarHBondContact O-N 2.88Å; A139-V182 HydrophobicContact CB-CG2 4.2Å; A139-W184 PolarHBondContact O-NE1 3.25Å
140	W	98.9	Very high	98.5	Very high	12 Å²	12	41 Å²	41	5%	0.045	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	143.4	172.7	-71.8	97.8	0	0	0	111.3	D89 W90 C91 P92 V97 A99 V109 L148 V162 W184	D89-W140 PolarHBondContact O-NE1 2.91Å; D89-W140 PolarHBondContact OD2-N 3.27Å; W90-W140 VanDerWaalsContact C-CD1 3.44Å; C91-W140 HydrophobicContact CB-CD2 4.04Å; C91-W140 HydrophobicContact CB-CE3 4.43Å; C91-W140 HydrophobicContact CB-CH2 4.38Å; C91-W140 HydrophobicContact CB-CZ2 3.98Å; P92-W140 HydrophobicContact CG-CB 3.97Å; V97-W140 HydrophobicContact CG1-CH2 4.03Å; V97-W140 HydrophobicContact CG1-CZ2 3.87Å; A99-W140 HydrophobicContact CB-CZ2 3.76Å; V109-W140 HydrophobicContact CG1-CH2 4.06Å; V109-W140 HydrophobicContact CG1-CZ2 4.15Å; V109-W140 HydrophobicContact CG2-CH2 4.41Å; W140-L148 HydrophobicContact CB-CD1 4.47Å; W140-L148 HydrophobicContact CD2-CD1 3.74Å; W140-L148 HydrophobicContact CE3-CB 4.12Å; W140-L148 HydrophobicContact CE3-CD1 4.17Å; W140-L148 HydrophobicContact CG-CD1 3.87Å; W140-L148 HydrophobicContact CZ3-CB 4.21Å; W140-V162 HydrophobicContact CH2-CB 4.41Å; W140-V162 HydrophobicContact CH2-CG1 3.93Å; W140-V162 HydrophobicContact CH2-CG2 3.86Å; W140-V162 HydrophobicContact CZ3-CB 4.48Å; W140-V162 HydrophobicContact CZ3-CG1 3.87Å; W140-V162 HydrophobicContact CZ3-CG2 3.78Å; W140-W184 VanDerWaalsContact O-CD1 3.24Å
141	H	98.8	Very high	98.6	Very high	23 Å²	23	40 Å²	40	11%	0.106	20%	0.203	C	C	.	.			trans	-67.5	133.2	173.6	-166.4	-81.3	0	0	0	109.8	H93 T143 A144 V147 W184 G188	H93-H141 PolarHBondContact CE1-O 3.14Å; H93-H141 VanDerWaalsContact CE1-O 3.26Å; H141-T143 VanDerWaalsContact C-N 3.32Å; H141-T143 PolarHBondContact CE1-OG1 2.8Å; H141-T143 PolarHBondContact ND1-N 2.86Å; H141-T143 PolarHBondContact ND1-OG1 2.91Å; H141-T143 PolarHBondContact O-N 3.15Å; H141-A144 HydrophobicContact CB-CB 4.34Å; H141-A144 VanDerWaalsContact ND1-CB 3.25Å; H141-A144 WeakPolarHBondContact ND1-CB 3.11Å; H141-A144 PolarHBondContact ND1-N 3.3Å; H141-V147 HydrophobicContact CB-CB 3.6Å; H141-V147 HydrophobicContact CB-CG1 3.76Å; H141-V147 VanDerWaalsContact CB-O 3.3Å; H141-V147 WeakPolarHBondContact CB-O 3.29Å; H141-V147 PolarHBondContact N-O 2.92Å; H141-W184 AromaticContact CD2-CH2 3.66Å; H141-W184 AromaticContact CD2-CZ2 3.73Å; H141-W184 AromaticContact CD2-CZ3 3.89Å; H141-G188 PolarHBondContact NE2-O 2.82Å
142	P	98.4	Very high	98.5	Very high	45 Å²	45	39.5 Å²	39.5	29%	0.292	20%	0.202	S	C	.	.	S	Bend	trans	-68.2	-30.2	-171.8	24.6	-34.3	0	0	0	113.3	H93 W184	H93-P142 PolarHBondContact NE2-O 2.81Å; P142-W184 HydrophobicContact CG-CB 4.07Å
143	T	98.4	Very high	98.5	Very high	84 Å²	84	35.4 Å²	35.4	52%	0.515	18%	0.177	S	C	.	.	S	Bend	trans	-121.8	-16.1	-170.1	59.3	0	0	0	0	115.4	H141 N187	H141-T143 VanDerWaalsContact C-N 3.32Å; H141-T143 PolarHBondContact CE1-OG1 2.8Å; H141-T143 PolarHBondContact ND1-N 2.86Å; H141-T143 PolarHBondContact ND1-OG1 2.91Å; H141-T143 PolarHBondContact O-N 3.15Å; T143-N187 PolarHBondContact OG1-O 2.91Å
144	A	98.3	Very high	98.5	Very high	33 Å²	33	31.3 Å²	31.3	27%	0.273	16%	0.161	S	C	.	.	S	Bend	trans	-109.4	118.8	-171.4	0	0	0	0	0	107.5	H93 H141 V147	H93-A144 PolarHBondContact CE1-O 2.93Å; H141-A144 HydrophobicContact CB-CB 4.34Å; H141-A144 VanDerWaalsContact ND1-CB 3.25Å; H141-A144 WeakPolarHBondContact ND1-CB 3.11Å; H141-A144 PolarHBondContact ND1-N 3.3Å; A144-V147 HydrophobicContact CB-CB 4.13Å; A144-V147 HydrophobicContact CB-CG2 3.76Å; A144-V147 PolarHBondContact O-N 3.37Å
145	R	97.3	Very high	98.5	Very high	190 Å²	190	28.3 Å²	28.3	72%	0.717	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	140	-177.4	-170.5	174	-176.5	165.3	3.1	110	V147	R145-V147 PolarHBondContact O-N 2.83Å; R145-V147 VanDerWaalsContact O-N 3.16Å
146	N	97.9	Very high	98.5	Very high	56 Å²	56	28.9 Å²	28.9	30%	0.299	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	12.4	177.1	-61	-10.9	0	0	0	115.3	N161 V162	N146-N161 CarbonylContact O-C 3.59Å; N146-N161 WeakPolarHBondContact O-CA 3.44Å; N146-V162 HydrophobicContact CB-CG2 3.65Å; N146-V162 WeakPolarHBondContact O-CG2 3.24Å; N146-V162 PolarHBondContact O-N 2.8Å
147	V	98.8	Very high	98.6	Very high	21 Å²	21	28.7 Å²	28.7	13%	0.127	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	124.5	175.8	-179.2	0	0	0	0	109.7	H141 A144 R145 I159 W160 L168	H141-V147 HydrophobicContact CB-CB 3.6Å; H141-V147 HydrophobicContact CB-CG1 3.76Å; H141-V147 VanDerWaalsContact CB-O 3.3Å; H141-V147 WeakPolarHBondContact CB-O 3.29Å; H141-V147 PolarHBondContact N-O 2.92Å; A144-V147 HydrophobicContact CB-CB 4.13Å; A144-V147 HydrophobicContact CB-CG2 3.76Å; A144-V147 PolarHBondContact O-N 3.37Å; R145-V147 PolarHBondContact O-N 2.83Å; R145-V147 VanDerWaalsContact O-N 3.16Å; V147-I159 HydrophobicContact CG1-CG2 3.62Å; V147-W160 VanDerWaalsContact CA-O 3.32Å; V147-W160 WeakPolarHBondContact CA-O 3.23Å; V147-L168 HydrophobicContact CG2-CD1 4.32Å
148	L	98.9	Very high	98.6	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	135.9	179.4	180	66.8	0	0	0	109.5	A99 V107 V109 L128 I138 W140 I159 W160 V162	A99-L148 HydrophobicContact CB-CD1 4.23Å; A99-L148 HydrophobicContact CB-CD2 3.81Å; V107-L148 HydrophobicContact CG1-CD2 3.71Å; V109-L148 HydrophobicContact CG2-CD2 4.45Å; L128-L148 HydrophobicContact CD1-CD2 3.99Å; I138-L148 HydrophobicContact CB-CD1 4.49Å; W140-L148 HydrophobicContact CB-CD1 4.47Å; W140-L148 HydrophobicContact CD2-CD1 3.74Å; W140-L148 HydrophobicContact CE3-CB 4.12Å; W140-L148 HydrophobicContact CE3-CD1 4.17Å; W140-L148 HydrophobicContact CG-CD1 3.87Å; W140-L148 HydrophobicContact CZ3-CB 4.21Å; L148-I159 WeakPolarHBondContact O-CA 3.26Å; L148-W160 PolarHBondContact N-O 3.44Å; L148-W160 VanDerWaalsContact N-O 3.14Å; L148-W160 PolarHBondContact O-N 3.3Å; L148-V162 HydrophobicContact CB-CG1 3.68Å; L148-V162 HydrophobicContact CD2-CG1 4.15Å
149	L	98.9	Very high	98.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	137.5	169.5	-178.2	161.2	0	0	0	109.1	I138 A139 V157 L158 I159 V182 W184 F191	I138-L149 CarbonylContact C-O 3.53Å; I138-L149 VanDerWaalsContact CA-O 3.29Å; I138-L149 WeakPolarHBondContact CA-O 3.27Å; A139-L149 PolarHBondContact N-O 3.37Å; A139-L149 WeakPolarHBondContact O-CB 3.47Å; A139-L149 PolarHBondContact O-N 2.88Å; L149-V157 HydrophobicContact CD1-CG1 3.86Å; L149-V157 HydrophobicContact CD2-CG1 3.87Å; L149-V157 HydrophobicContact CG-CG1 3.67Å; L149-L158 CarbonylContact C-O 3.53Å; L149-L158 WeakPolarHBondContact CA-O 3.34Å; L149-I159 HydrophobicContact CB-CD1 3.68Å; L149-I159 HydrophobicContact CD1-CD1 3.59Å; L149-I159 HydrophobicContact CG-CD1 3.53Å; L149-V182 HydrophobicContact CD1-CG2 4.36Å; L149-V182 HydrophobicContact CD2-CB 4.15Å; L149-V182 HydrophobicContact CD2-CG1 4.18Å; L149-V182 HydrophobicContact CD2-CG2 3.39Å; L149-W184 HydrophobicContact CB-CZ2 3.83Å; L149-W184 HydrophobicContact CD1-CH2 4.33Å; L149-W184 HydrophobicContact CD1-CZ2 3.73Å; L149-W184 HydrophobicContact CG-CZ2 4.4Å; L149-F191 HydrophobicContact CD1-CB 4.44Å; L149-F191 HydrophobicContact CD1-CD1 4.09Å; L149-F191 HydrophobicContact CD1-CD2 4.26Å; L149-F191 HydrophobicContact CD1-CE1 4.41Å; L149-F191 HydrophobicContact CD1-CG 4.01Å
150	S	98.9	Very high	98.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	148.1	165.3	65.1	0	0	0	0	111.6	H131 I137 V157 L158 W160	H131-S150 PolarHBondContact CD2-OG 2.88Å; H131-S150 PolarHBondContact NE2-OG 2.93Å; I137-S150 CarbonylContact O-C 3.56Å; I137-S150 WeakPolarHBondContact O-CA 3.44Å; S150-V157 WeakPolarHBondContact O-CA 3.13Å; S150-L158 PolarHBondContact N-O 2.79Å; S150-L158 PolarHBondContact O-N 3.33Å; S150-W160 PolarHBondContact OG-NE1 2.98Å
151	A	98.8	Very high	98.6	Very high	2 Å²	2	28.6 Å²	28.6	2%	0.017	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	132.1	171.4	0	0	0	0	0	111.2	G136 I137 V156 V157 I179 V182	G136-A151 PolarHBondContact N-O 3.43Å; I137-A151 HydrophobicContact CB-CB 4.07Å; I137-A151 HydrophobicContact CD1-CB 4.22Å; I137-A151 HydrophobicContact CG2-CB 4.44Å; I137-A151 PolarHBondContact N-O 3.24Å; I137-A151 PolarHBondContact O-N 3.06Å; A151-V156 WeakPolarHBondContact CA-O 3.48Å; A151-V157 HydrophobicContact CB-CG2 4.04Å; A151-I179 HydrophobicContact CB-CD1 4.05Å; A151-I179 HydrophobicContact CB-CG2 4.41Å; A151-V182 HydrophobicContact CB-CG1 4.44Å
152	G	98.2	Very high	98.5	Very high	4 Å²	4	28 Å²	28	4%	0.041	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	168.3	-174.7	0	0	0	0	0	113.6	H131 R134 D154 N155 V156	H131-G152 PolarHBondContact CE1-N 2.86Å; H131-G152 VanDerWaalsContact CE1-N 3.34Å; R134-G152 CarbonylContact O-C 3.58Å; R134-G152 VanDerWaalsContact O-CA 3.32Å; R134-G152 WeakPolarHBondContact O-CA 3.34Å; G152-D154 WeakPolarHBondContact CA-OD1 3.38Å; G152-D154 PolarHBondContact O-N 2.83Å; G152-D154 VanDerWaalsContact O-N 3.16Å; G152-N155 PolarHBondContact O-N 3.31Å; G152-V156 PolarHBondContact N-O 2.87Å
153	C	98.4	Very high	98.4	Very high	26 Å²	26	28.4 Å²	28.4	18%	0.176	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	0.7	170.6	-76.7	0	0	0	0	113.7	K133 R134 L178	K133-C153 HydrophobicContact CB-CB 3.94Å; K133-C153 HydrophobicContact CD-CB 4.3Å; K133-C153 WeakPolarHBondContact CD-O 3.32Å; R134-C153 HydrophobicContact CG-CB 3.7Å; R134-C153 WeakPolarHBondContact CG-SG 3.47Å; R134-C153 PolarHBondContact O-N 2.92Å; C153-L178 HydrophobicContact CB-CD1 4.27Å; C153-L178 VanDerWaalsContact SG-CD1 3.56Å
154	D	98.6	Very high	98.3	Very high	25 Å²	25	27.9 Å²	27.9	13%	0.134	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	1.2	164.6	55.5	5.7	0	0	0	112.3	H131 T132 K133 G152 V156	H131-D154 VanDerWaalsContact CA-OD2 3.25Å; H131-D154 WeakPolarHBondContact CA-OD2 3.31Å; H131-D154 IonicContact CE1-OD1 3.38Å; H131-D154 IonicContact CG-OD2 3.54Å; H131-D154 IonicContact ND1-OD1 2.76Å; H131-D154 PolarHBondContact ND1-OD1 3.45Å; H131-D154 IonicContact ND1-OD2 3.19Å; H131-D154 PolarHBondContact ND1-OD2 2.87Å; T132-D154 PolarHBondContact N-OD2 2.92Å; T132-D154 WeakPolarHBondContact OG1-CB 3.24Å; T132-D154 PolarHBondContact OG1-OD2 2.9Å; K133-D154 HydrophobicContact CB-CB 4.19Å; K133-D154 HydrophobicContact CD-CB 4.25Å; K133-D154 HydrophobicContact CG-CB 4.26Å; G152-D154 WeakPolarHBondContact CA-OD1 3.38Å; G152-D154 PolarHBondContact O-N 2.83Å; G152-D154 VanDerWaalsContact O-N 3.16Å; D154-V156 HydrophobicContact CB-CG2 4.28Å; D154-V156 PolarHBondContact O-N 2.8Å; D154-V156 PolarHBondContact OD1-N 2.94Å
155	N	98.5	Very high	98.3	Very high	32 Å²	32	28.8 Å²	28.8	17%	0.171	17%	0.166	C	C	.	.	S	Bend	trans	63	20	-179.5	-47.7	-26	0	0	0	112.8	G152 H175 D177 L178	G152-N155 PolarHBondContact O-N 3.31Å; N155-H175 HydrophobicContact CB-CB 4.3Å; N155-H175 WeakPolarHBondContact CB-O 3.36Å; N155-D177 VanDerWaalsContact CG-C 3.43Å; N155-D177 WeakPolarHBondContact ND2-CA 3.23Å; N155-D177 PolarHBondContact OD1-O 3.33Å; N155-L178 VanDerWaalsContact OD1-CA 3.29Å; N155-L178 WeakPolarHBondContact OD1-CA 3.39Å; N155-L178 PolarHBondContact OD1-N 3.49Å
156	V	98.6	Very high	98.3	Very high	12 Å²	12	25 Å²	25	7%	0.073	16%	0.157	C	C	.	.			trans	-94.7	141.8	174.9	-175.9	0	0	0	0	108.7	H131 A151 G152 D154 L158 R170 L171 D172	H131-V156 PolarHBondContact CE1-O 2.96Å; H131-V156 VanDerWaalsContact CE1-O 3.27Å; A151-V156 WeakPolarHBondContact CA-O 3.48Å; G152-V156 PolarHBondContact N-O 2.87Å; D154-V156 HydrophobicContact CB-CG2 4.28Å; D154-V156 PolarHBondContact O-N 2.8Å; D154-V156 PolarHBondContact OD1-N 2.94Å; V156-L158 HydrophobicContact CG1-CD2 3.56Å; V156-L158 HydrophobicContact CG1-CG 3.91Å; V156-R170 HydrophobicContact CG1-CG 4.12Å; V156-L171 WeakPolarHBondContact CA-O 3.09Å; V156-D172 HydrophobicContact CG1-CB 4.24Å; V156-D172 HydrophobicContact CG2-CB 3.97Å
157	V	98.9	Very high	98.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	127.3	162.6	-177.6	0	0	0	0	108.4	L149 S150 A151 I159 L171 I179 F191	L149-V157 HydrophobicContact CD1-CG1 3.86Å; L149-V157 HydrophobicContact CD2-CG1 3.87Å; L149-V157 HydrophobicContact CG-CG1 3.67Å; S150-V157 WeakPolarHBondContact O-CA 3.13Å; A151-V157 HydrophobicContact CB-CG2 4.04Å; V157-I159 HydrophobicContact CG1-CD1 4.36Å; V157-L171 HydrophobicContact CB-CB 4.15Å; V157-L171 HydrophobicContact CB-CD1 4.25Å; V157-L171 HydrophobicContact CG1-CD1 4.36Å; V157-L171 PolarHBondContact N-O 3.01Å; V157-L171 PolarHBondContact O-N 2.75Å; V157-I179 HydrophobicContact CG2-CD1 3.55Å; V157-F191 HydrophobicContact CG1-CZ 4.14Å; V157-F191 HydrophobicContact CG2-CZ 4.46Å
158	L	98.9	Very high	98.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	138.9	175.5	-60.2	-179.8	0	0	0	109.7	L149 S150 V156 W160 E167 Y169 R170	L149-L158 CarbonylContact C-O 3.53Å; L149-L158 WeakPolarHBondContact CA-O 3.34Å; S150-L158 PolarHBondContact N-O 2.79Å; S150-L158 PolarHBondContact O-N 3.33Å; V156-L158 HydrophobicContact CG1-CD2 3.56Å; V156-L158 HydrophobicContact CG1-CG 3.91Å; L158-W160 HydrophobicContact CB-CZ2 3.75Å; L158-W160 HydrophobicContact CD1-CH2 3.82Å; L158-W160 HydrophobicContact CD1-CZ2 3.32Å; L158-W160 HydrophobicContact CG-CZ2 4.14Å; L158-E167 HydrophobicContact CD2-CG 4.31Å; L158-Y169 WeakPolarHBondContact CA-O 3.33Å; L158-R170 HydrophobicContact CD2-CB 3.68Å; L158-R170 HydrophobicContact CD2-CG 3.73Å
159	I	98.8	Very high	98.3	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.015	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	127.3	172.2	-49.9	-63.6	0	0	0	107.5	V147 L148 L149 V157 L168 Y169 W184 P205	V147-I159 HydrophobicContact CG1-CG2 3.62Å; L148-I159 WeakPolarHBondContact O-CA 3.26Å; L149-I159 HydrophobicContact CB-CD1 3.68Å; L149-I159 HydrophobicContact CD1-CD1 3.59Å; L149-I159 HydrophobicContact CG-CD1 3.53Å; V157-I159 HydrophobicContact CG1-CD1 4.36Å; I159-L168 HydrophobicContact CG2-CB 4.46Å; I159-L168 HydrophobicContact CG2-CD1 4.4Å; I159-L168 WeakPolarHBondContact O-CA 3.34Å; I159-L168 WeakPolarHBondContact O-CB 3.13Å; I159-L168 PolarHBondContact O-N 3.24Å; I159-Y169 HydrophobicContact CB-CD2 3.9Å; I159-Y169 HydrophobicContact CB-CG 4.47Å; I159-Y169 HydrophobicContact CG1-CD2 4.15Å; I159-Y169 HydrophobicContact CG2-CD2 4.03Å; I159-Y169 PolarHBondContact N-O 3.48Å; I159-Y169 PolarHBondContact O-N 3.33Å; I159-W184 HydrophobicContact CD1-CH2 4Å; I159-W184 HydrophobicContact CD1-CZ2 3.9Å; I159-P205 HydrophobicContact CD1-CB 4.35Å; I159-P205 HydrophobicContact CG1-CB 4.07Å
160	W	98.9	Very high	98.3	Very high	5 Å²	5	37.1 Å²	37.1	2%	0.019	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	149.2	-172.2	-54.3	96.3	0	0	0	111.5	L128 E129 V147 L148 S150 L158 E166 E167	L128-W160 HydrophobicContact CB-CD2 4.1Å; L128-W160 HydrophobicContact CB-CE3 4.2Å; L128-W160 HydrophobicContact CB-CH2 4.31Å; L128-W160 HydrophobicContact CB-CZ2 4.19Å; L128-W160 HydrophobicContact CB-CZ3 4.31Å; L128-W160 HydrophobicContact CD1-CB 3.97Å; L128-W160 HydrophobicContact CD1-CD2 4.04Å; L128-W160 HydrophobicContact CD1-CG 3.73Å; L128-W160 HydrophobicContact CD2-CB 4.43Å; L128-W160 HydrophobicContact CD2-CD2 4.22Å; L128-W160 HydrophobicContact CD2-CE3 3.98Å; L128-W160 HydrophobicContact CD2-CG 4.44Å; L128-W160 HydrophobicContact CG-CD2 4.35Å; L128-W160 HydrophobicContact CG-CE3 4.49Å; E129-W160 WeakPolarHBondContact O-CH2 3.26Å; V147-W160 VanDerWaalsContact CA-O 3.32Å; V147-W160 WeakPolarHBondContact CA-O 3.23Å; L148-W160 PolarHBondContact N-O 3.44Å; L148-W160 VanDerWaalsContact N-O 3.14Å; L148-W160 PolarHBondContact O-N 3.3Å; S150-W160 PolarHBondContact OG-NE1 2.98Å; L158-W160 HydrophobicContact CB-CZ2 3.75Å; L158-W160 HydrophobicContact CD1-CH2 3.82Å; L158-W160 HydrophobicContact CD1-CZ2 3.32Å; L158-W160 HydrophobicContact CG-CZ2 4.14Å; W160-E166 WeakPolarHBondContact CA-O 3.42Å; W160-E167 HydrophobicContact CE3-CB 4.1Å; W160-E167 HydrophobicContact CZ3-CB 3.84Å; W160-E167 HydrophobicContact CZ3-CG 4.48Å
161	N	98.6	Very high	98.2	Very high	39 Å²	39	37.4 Å²	37.4	21%	0.209	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	104.4	153.8	-178.1	-10.1	0	0	0	108.2	N146 G163 T164 A165 E166 L168	N146-N161 CarbonylContact O-C 3.59Å; N146-N161 WeakPolarHBondContact O-CA 3.44Å; N161-G163 PolarHBondContact O-N 2.83Å; N161-G163 PolarHBondContact OD1-N 2.87Å; N161-T164 WeakPolarHBondContact CB-OG1 3.43Å; N161-T164 VanDerWaalsContact CG-OG1 3.27Å; N161-T164 PolarHBondContact ND2-OG1 2.85Å; N161-T164 PolarHBondContact O-N 2.99Å; N161-A165 WeakPolarHBondContact O-CA 3.38Å; N161-A165 PolarHBondContact O-N 3.49Å; N161-E166 PolarHBondContact N-O 3.46Å; N161-E166 PolarHBondContact O-N 2.81Å; N161-L168 HydrophobicContact CB-CD1 3.99Å; N161-L168 HydrophobicContact CB-CD2 3.96Å; N161-L168 HydrophobicContact CB-CG 3.94Å
162	V	97.8	Very high	98.2	Very high	10 Å²	10	41.9 Å²	41.9	6%	0.061	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-22.7	-178.6	-49.2	0	0	0	0	112.3	V109 V126 L128 W140 N146 L148 T164	V109-V162 HydrophobicContact CG2-CB 4.32Å; V109-V162 HydrophobicContact CG2-CG1 4.12Å; V126-V162 WeakPolarHBondContact CG2-O 3.43Å; L128-V162 HydrophobicContact CD1-CG1 4.2Å; W140-V162 HydrophobicContact CH2-CB 4.41Å; W140-V162 HydrophobicContact CH2-CG1 3.93Å; W140-V162 HydrophobicContact CH2-CG2 3.86Å; W140-V162 HydrophobicContact CZ3-CB 4.48Å; W140-V162 HydrophobicContact CZ3-CG1 3.87Å; W140-V162 HydrophobicContact CZ3-CG2 3.78Å; N146-V162 HydrophobicContact CB-CG2 3.65Å; N146-V162 WeakPolarHBondContact O-CG2 3.24Å; N146-V162 PolarHBondContact O-N 2.8Å; L148-V162 HydrophobicContact CB-CG1 3.68Å; L148-V162 HydrophobicContact CD2-CG1 4.15Å; V162-T164 VanDerWaalsContact C-N 3.29Å; V162-T164 PolarHBondContact O-N 2.84Å
163	G	96	Very high	98	Very high	54 Å²	54	46.6 Å²	46.6	56%	0.557	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-24.2	179.2	0	0	0	0	0	113.4	N161	N161-G163 PolarHBondContact O-N 2.83Å; N161-G163 PolarHBondContact OD1-N 2.87Å
164	T	97.4	Very high	97.9	Very high	74 Å²	74	46.8 Å²	46.8	45%	0.454	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-4.9	178.7	56.7	0	0	0	0	113.2	N161 V162 E166	N161-T164 WeakPolarHBondContact CB-OG1 3.43Å; N161-T164 VanDerWaalsContact CG-OG1 3.27Å; N161-T164 PolarHBondContact ND2-OG1 2.85Å; N161-T164 PolarHBondContact O-N 2.99Å; V162-T164 VanDerWaalsContact C-N 3.29Å; V162-T164 PolarHBondContact O-N 2.84Å; T164-E166 WeakPolarHBondContact CB-OE2 3.41Å; T164-E166 PolarHBondContact O-N 2.58Å; T164-E166 WeakPolarHBondContact OG1-CB 3.09Å; T164-E166 VanDerWaalsContact OG1-CD 3.31Å; T164-E166 WeakPolarHBondContact OG1-CG 3.28Å; T164-E166 PolarHBondContact OG1-OE2 2.95Å
165	A	96.9	Very high	97.9	Very high	51 Å²	51	45.9 Å²	45.9	42%	0.421	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	26.8	-170.4	0	0	0	0	0	113.6	V126 L128 N161	V126-A165 HydrophobicContact CG1-CB 3.86Å; L128-A165 HydrophobicContact CD2-CB 4.26Å; N161-A165 WeakPolarHBondContact O-CA 3.38Å; N161-A165 PolarHBondContact O-N 3.49Å
166	E	97.9	Very high	97.8	Very high	112 Å²	112	49 Å²	49	52%	0.523	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	139.7	-178.2	-69.2	169.3	152	0	0	111.7	W160 N161 T164 L168	W160-E166 WeakPolarHBondContact CA-O 3.42Å; N161-E166 PolarHBondContact N-O 3.46Å; N161-E166 PolarHBondContact O-N 2.81Å; T164-E166 WeakPolarHBondContact CB-OE2 3.41Å; T164-E166 PolarHBondContact O-N 2.58Å; T164-E166 WeakPolarHBondContact OG1-CB 3.09Å; T164-E166 VanDerWaalsContact OG1-CD 3.31Å; T164-E166 WeakPolarHBondContact OG1-CG 3.28Å; T164-E166 PolarHBondContact OG1-OE2 2.95Å; E166-L168 PolarHBondContact O-N 3.09Å
167	E	98.3	Very high	97.8	Very high	79 Å²	79	50.9 Å²	50.9	37%	0.369	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	111.7	164.2	-175.4	-179.8	111.4	0	0	108.8	L158 W160 R170	L158-E167 HydrophobicContact CD2-CG 4.31Å; W160-E167 HydrophobicContact CE3-CB 4.1Å; W160-E167 HydrophobicContact CZ3-CB 3.84Å; W160-E167 HydrophobicContact CZ3-CG 4.48Å; E167-R170 VanDerWaalsContact OE1-CB 3.25Å; E167-R170 WeakPolarHBondContact OE1-CB 3.43Å; E167-R170 IonicContact OE1-CZ 3.78Å; E167-R170 IonicContact OE1-NE 3.63Å; E167-R170 PolarHBondContact OE1-NE 2.81Å; E167-R170 IonicContact OE1-NH2 3.04Å; E167-R170 IonicContact OE2-CZ 3.31Å; E167-R170 IonicContact OE2-NE 3.43Å; E167-R170 PolarHBondContact OE2-NE 2.68Å; E167-R170 IonicContact OE2-NH2 3.25Å; E167-R170 PolarHBondContact OE2-NH2 3.03Å
168	L	98.4	Very high	97.8	Very high	68 Å²	68	53 Å²	53	36%	0.356	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-44.8	177.2	-64.8	177.8	0	0	0	111.6	V147 I159 N161 E166	V147-L168 HydrophobicContact CG2-CD1 4.32Å; I159-L168 HydrophobicContact CG2-CB 4.46Å; I159-L168 HydrophobicContact CG2-CD1 4.4Å; I159-L168 WeakPolarHBondContact O-CA 3.34Å; I159-L168 WeakPolarHBondContact O-CB 3.13Å; I159-L168 PolarHBondContact O-N 3.24Å; N161-L168 HydrophobicContact CB-CD1 3.99Å; N161-L168 HydrophobicContact CB-CD2 3.96Å; N161-L168 HydrophobicContact CB-CG 3.94Å; E166-L168 PolarHBondContact O-N 3.09Å
169	Y	98.4	Very high	97.8	Very high	89 Å²	89	53.3 Å²	53.3	35%	0.349	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	138.8	-177.4	-52.9	-67.7	0	0	0	110.9	L158 I159 R206	L158-Y169 WeakPolarHBondContact CA-O 3.33Å; I159-Y169 HydrophobicContact CB-CD2 3.9Å; I159-Y169 HydrophobicContact CB-CG 4.47Å; I159-Y169 HydrophobicContact CG1-CD2 4.15Å; I159-Y169 HydrophobicContact CG2-CD2 4.03Å; I159-Y169 PolarHBondContact N-O 3.48Å; I159-Y169 PolarHBondContact O-N 3.33Å; Y169-R206 HydrophobicContact CE1-CB 4.35Å; Y169-R206 HydrophobicContact CE2-CB 4.38Å; Y169-R206 HydrophobicContact CE2-CG 3.81Å
170	R	98.3	Very high	97.7	Very high	95 Å²	95	54.6 Å²	54.6	36%	0.358	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	127	173.1	169.6	176.2	-68.9	-94.8	-1	110.6	G130 V156 L158 E167 D172	G130-R170 PolarHBondContact O-NH2 3.33Å; G130-R170 VanDerWaalsContact O-NH2 3.14Å; V156-R170 HydrophobicContact CG1-CG 4.12Å; L158-R170 HydrophobicContact CD2-CB 3.68Å; L158-R170 HydrophobicContact CD2-CG 3.73Å; E167-R170 VanDerWaalsContact OE1-CB 3.25Å; E167-R170 WeakPolarHBondContact OE1-CB 3.43Å; E167-R170 IonicContact OE1-CZ 3.78Å; E167-R170 IonicContact OE1-NE 3.63Å; E167-R170 PolarHBondContact OE1-NE 2.81Å; E167-R170 IonicContact OE1-NH2 3.04Å; E167-R170 IonicContact OE2-CZ 3.31Å; E167-R170 IonicContact OE2-NE 3.43Å; E167-R170 PolarHBondContact OE2-NE 2.68Å; E167-R170 IonicContact OE2-NH2 3.25Å; E167-R170 PolarHBondContact OE2-NH2 3.03Å; R170-D172 HydrophobicContact CG-CB 4.29Å
171	L	98.4	Very high	97.7	Very high	6 Å²	6	55.2 Å²	55.2	3%	0.031	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	90.6	-179.3	-49.3	175.9	0	0	0	108.3	V156 V157 L174 F191 I203 P205	V156-L171 WeakPolarHBondContact CA-O 3.09Å; V157-L171 HydrophobicContact CB-CB 4.15Å; V157-L171 HydrophobicContact CB-CD1 4.25Å; V157-L171 HydrophobicContact CG1-CD1 4.36Å; V157-L171 PolarHBondContact N-O 3.01Å; V157-L171 PolarHBondContact O-N 2.75Å; L171-L174 HydrophobicContact CB-CD1 4.16Å; L171-L174 HydrophobicContact CD1-CD1 4.29Å; L171-L174 HydrophobicContact CD2-CD1 4.31Å; L171-F191 HydrophobicContact CD1-CE1 3.72Å; L171-F191 HydrophobicContact CD1-CZ 3.7Å; L171-I203 HydrophobicContact CD1-CG2 4.04Å; L171-P205 HydrophobicContact CD1-CB 4.39Å
172	D	97.1	Very high	97.7	Very high	96 Å²	96	54 Å²	54	51%	0.513	30%	0.303	S	S	.	.			trans	-109.1	-6.4	-171.3	58.7	3.8	0	0	0	114.2	V156 R170	V156-D172 HydrophobicContact CG1-CB 4.24Å; V156-D172 HydrophobicContact CG2-CB 3.97Å; R170-D172 HydrophobicContact CG-CB 4.29Å
173	S	95.3	Very high	97.7	Very high	102 Å²	102	54.7 Å²	54.7	71%	0.713	31%	0.308	S	S	*	.	S	Bend	trans	-117.8	-2.9	-173.8	47.8	0	0	0	0	113.9
174	L	96.3	Very high	97.8	Very high	30 Å²	30	53.4 Å²	53.4	16%	0.157	29%	0.287	C	S	.	.	S	Bend	trans	-86.6	-16.7	-176.7	-61.4	-177.4	0	0	0	113.8	L171 R201 I203	L171-L174 HydrophobicContact CB-CD1 4.16Å; L171-L174 HydrophobicContact CD1-CD1 4.29Å; L171-L174 HydrophobicContact CD2-CD1 4.31Å; L174-R201 PolarHBondContact O-NE 2.89Å; L174-I203 HydrophobicContact CD1-CD1 3.93Å; L174-I203 HydrophobicContact CD1-CG1 4.11Å; L174-I203 HydrophobicContact CD1-CG2 3.61Å
175	H	98.3	Very high	97.9	Very high	7 Å²	7	50.9 Å²	50.9	3%	0.032	27%	0.271	C	S	.	.			trans	-127.9	105.8	-173.7	-61.3	90.5	0	0	0	110.6	N155 D177 I179 S193	N155-H175 HydrophobicContact CB-CB 4.3Å; N155-H175 WeakPolarHBondContact CB-O 3.36Å; H175-D177 VanDerWaalsContact C-N 3.28Å; H175-D177 PolarHBondContact O-N 3.4Å; H175-I179 HydrophobicContact CB-CD1 4.07Å; H175-I179 HydrophobicContact CB-CG1 3.89Å; H175-S193 WeakPolarHBondContact NE2-CB 3.34Å; H175-S193 PolarHBondContact NE2-OG 2.97Å
176	P	97.5	Very high	97.8	Very high	97 Å²	97	56.2 Å²	56.2	63%	0.63	29%	0.286	S	S	*	.	S	Bend	trans	-77.8	-12	-179	31.5	-35.6	0	0	0	113.6	D197	P176-D197 WeakPolarHBondContact CD-OD2 3.36Å; P176-D197 HydrophobicContact CG-CB 4.23Å; P176-D197 VanDerWaalsContact CG-OD2 3.29Å; P176-D197 WeakPolarHBondContact CG-OD2 3.5Å
177	D	98	Very high	97.8	Very high	51 Å²	51	55 Å²	55	27%	0.273	28%	0.284	S	S	.	.	S	Bend	trans	-146.4	-178.6	179.7	-155.9	-20.7	0	0	0	109.7	N155 H175 I179 C195 K196	N155-D177 VanDerWaalsContact CG-C 3.43Å; N155-D177 WeakPolarHBondContact ND2-CA 3.23Å; N155-D177 PolarHBondContact OD1-O 3.33Å; H175-D177 VanDerWaalsContact C-N 3.28Å; H175-D177 PolarHBondContact O-N 3.4Å; D177-I179 PolarHBondContact O-N 2.88Å; D177-C195 PolarHBondContact O-SG 3.06Å; D177-C195 VanDerWaalsContact O-SG 3.35Å; D177-K196 HydrophobicContact CB-CB 4.05Å; D177-K196 HydrophobicContact CB-CG 4.48Å; D177-K196 VanDerWaalsContact CG-NZ 3.29Å; D177-K196 IonicContact OD1-NZ 3.88Å; D177-K196 PolarHBondContact OD1-NZ 2.8Å; D177-K196 WeakPolarHBondContact OD2-CE 3.41Å; D177-K196 WeakPolarHBondContact OD2-CG 3.49Å; D177-K196 IonicContact OD2-NZ 2.87Å; D177-K196 PolarHBondContact OD2-NZ 3.39Å
178	L	98	Very high	97.8	Very high	46 Å²	46	51.5 Å²	51.5	24%	0.241	27%	0.268	C	S	.	.			trans	-52.1	129.4	-173	-175.2	63.9	0	0	0	112.9	C153 N155 Y180 C195 K196	C153-L178 HydrophobicContact CB-CD1 4.27Å; C153-L178 VanDerWaalsContact SG-CD1 3.56Å; N155-L178 VanDerWaalsContact OD1-CA 3.29Å; N155-L178 WeakPolarHBondContact OD1-CA 3.39Å; N155-L178 PolarHBondContact OD1-N 3.49Å; L178-Y180 HydrophobicContact CD2-CD1 4.29Å; L178-Y180 HydrophobicContact CD2-CE1 4.03Å; L178-Y180 HydrophobicContact CG-CD1 4.44Å; L178-Y180 HydrophobicContact CG-CE1 4.45Å; L178-C195 CarbonylContact O-C 3.6Å; L178-C195 WeakPolarHBondContact O-CA 3.32Å; L178-K196 HydrophobicContact CB-CB 4.01Å; L178-K196 HydrophobicContact CB-CD 4.1Å; L178-K196 WeakPolarHBondContact O-CB 3.28Å; L178-K196 PolarHBondContact O-N 2.93Å
179	I	98.6	Very high	97.8	Very high	5 Å²	5	49.8 Å²	49.8	3%	0.026	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	124	171.5	-54.1	170.4	0	0	0	107.9	I137 A151 V157 H175 D177 V182	I137-I179 HydrophobicContact CD1-CB 4.19Å; I137-I179 HydrophobicContact CD1-CG2 3.79Å; I137-I179 WeakPolarHBondContact CD1-O 3.21Å; A151-I179 HydrophobicContact CB-CD1 4.05Å; A151-I179 HydrophobicContact CB-CG2 4.41Å; V157-I179 HydrophobicContact CG2-CD1 3.55Å; H175-I179 HydrophobicContact CB-CD1 4.07Å; H175-I179 HydrophobicContact CB-CG1 3.89Å; D177-I179 PolarHBondContact O-N 2.88Å; I179-V182 HydrophobicContact CG2-CG1 4.02Å
180	Y	98.3	Very high	97.8	Very high	31 Å²	31	47.2 Å²	47.2	12%	0.122	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-36.1	-178.6	-70.2	-42.9	0	0	0	113.7	L178 A194 K196 P223 M224 R225	L178-Y180 HydrophobicContact CD2-CD1 4.29Å; L178-Y180 HydrophobicContact CD2-CE1 4.03Å; L178-Y180 HydrophobicContact CG-CD1 4.44Å; L178-Y180 HydrophobicContact CG-CE1 4.45Å; Y180-A194 PolarHBondContact N-O 2.61Å; Y180-K196 HydrophobicContact CE1-CB 4.15Å; Y180-K196 HydrophobicContact CE2-CB 3.83Å; Y180-K196 HydrophobicContact CE2-CG 4.49Å; Y180-K196 WeakPolarHBondContact OH-CB 3.35Å; Y180-K196 WeakPolarHBondContact OH-CD 3.25Å; Y180-K196 VanDerWaalsContact OH-CG 3.26Å; Y180-K196 WeakPolarHBondContact OH-CG 3.4Å; Y180-P223 HydrophobicContact CD1-CB 3.88Å; Y180-P223 HydrophobicContact CD1-CG 4.27Å; Y180-P223 HydrophobicContact CD2-CB 4.24Å; Y180-P223 HydrophobicContact CE1-CB 3.88Å; Y180-P223 HydrophobicContact CE1-CG 3.86Å; Y180-P223 HydrophobicContact CE2-CB 4.22Å; Y180-P223 HydrophobicContact CG-CB 4.06Å; Y180-M224 WeakPolarHBondContact CB-O 3.39Å; Y180-M224 HydrophobicContact CD2-CG 4.37Å; Y180-R225 PolarHBondContact O-NH1 2.99Å
181	N	98.3	Very high	97.8	Very high	17 Å²	17	42.7 Å²	42.7	9%	0.091	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	164.9	168.3	91.8	-77.5	0	0	0	110.5	S193 A194 R225 A226	N181-S193 VanDerWaalsContact O-CA 3.28Å; N181-S193 WeakPolarHBondContact O-CA 3.23Å; N181-A194 PolarHBondContact O-N 3.31Å; N181-A194 WeakPolarHBondContact OD1-CB 3.27Å; N181-R225 VanDerWaalsContact CB-CD 3.49Å; N181-R225 VanDerWaalsContact OD1-CA 3.28Å; N181-R225 WeakPolarHBondContact OD1-CA 3.36Å; N181-A226 PolarHBondContact ND2-O 2.81Å; N181-A226 PolarHBondContact OD1-N 3.33Å; N181-A226 PolarHBondContact OD1-O 3.04Å
182	V	98.4	Very high	97.8	Very high	15 Å²	15	42.4 Å²	42.4	9%	0.091	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	158.8	164.9	-59.2	0	0	0	0	110	I137 A139 L149 A151 I179 F191 C192	I137-V182 HydrophobicContact CG2-CB 4.3Å; I137-V182 HydrophobicContact CG2-CG1 4.35Å; I137-V182 HydrophobicContact CG2-CG2 3.35Å; A139-V182 HydrophobicContact CB-CG2 4.2Å; L149-V182 HydrophobicContact CD1-CG2 4.36Å; L149-V182 HydrophobicContact CD2-CB 4.15Å; L149-V182 HydrophobicContact CD2-CG1 4.18Å; L149-V182 HydrophobicContact CD2-CG2 3.39Å; A151-V182 HydrophobicContact CB-CG1 4.44Å; I179-V182 HydrophobicContact CG2-CG1 4.02Å; V182-F191 HydrophobicContact CB-CD2 4.28Å; V182-F191 HydrophobicContact CG1-CD2 4.29Å; V182-F191 HydrophobicContact CG1-CE2 4.34Å; V182-C192 CarbonylContact C-O 3.58Å; V182-C192 VanDerWaalsContact CA-O 3.24Å; V182-C192 WeakPolarHBondContact CA-O 3.41Å
183	S	98.2	Very high	97.8	Very high	24 Å²	24	37.9 Å²	37.9	17%	0.168	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	123.6	173.6	171.6	0	0	0	0	109.4	F191 C192 F228	S183-F191 CarbonylContact O-C 3.6Å; S183-F191 VanDerWaalsContact O-CA 3.23Å; S183-F191 WeakPolarHBondContact O-CA 3.41Å; S183-F191 WeakPolarHBondContact O-CB 3.38Å; S183-C192 PolarHBondContact N-O 3.3Å; S183-C192 PolarHBondContact O-N 3.27Å; S183-F228 WeakPolarHBondContact O-CD2 3.34Å; S183-F228 PolarHBondContact OG-N 2.72Å
184	W	98.7	Very high	98	Very high	26 Å²	26	33 Å²	33	10%	0.098	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	144.5	171	-72.2	112	0	0	0	110.9	A139 W140 H141 P142 L149 I159 G188 F191 P205	A139-W184 PolarHBondContact O-NE1 3.25Å; W140-W184 VanDerWaalsContact O-CD1 3.24Å; H141-W184 AromaticContact CD2-CH2 3.66Å; H141-W184 AromaticContact CD2-CZ2 3.73Å; H141-W184 AromaticContact CD2-CZ3 3.89Å; P142-W184 HydrophobicContact CG-CB 4.07Å; L149-W184 HydrophobicContact CB-CZ2 3.83Å; L149-W184 HydrophobicContact CD1-CH2 4.33Å; L149-W184 HydrophobicContact CD1-CZ2 3.73Å; L149-W184 HydrophobicContact CG-CZ2 4.4Å; I159-W184 HydrophobicContact CD1-CH2 4Å; I159-W184 HydrophobicContact CD1-CZ2 3.9Å; W184-G188 WeakPolarHBondContact CZ3-O 3.48Å; W184-F191 HydrophobicContact CD2-CB 4.16Å; W184-F191 HydrophobicContact CE3-CB 3.83Å; W184-F191 HydrophobicContact CH2-CD1 4.47Å; W184-F191 HydrophobicContact CZ3-CB 4.19Å; W184-F191 HydrophobicContact CZ3-CD1 4.26Å; W184-P205 HydrophobicContact CH2-CB 4.49Å; W184-P205 HydrophobicContact CH2-CG 3.83Å; W184-P205 HydrophobicContact CZ3-CG 3.83Å
185	N	98.1	Very high	98.1	Very high	22 Å²	22	31.6 Å²	31.6	12%	0.118	17%	0.17	C	C	.	.			trans	-71.9	167.6	162	74.9	-16.5	0	0	0	109.9	N187 G188 S189 L190 F228	N185-N187 VanDerWaalsContact C-N 3.29Å; N185-N187 PolarHBondContact ND2-OD1 3.03Å; N185-N187 PolarHBondContact O-N 3.43Å; N185-N187 VanDerWaalsContact O-N 3.15Å; N185-N187 PolarHBondContact OD1-OD1 2.87Å; N185-G188 PolarHBondContact O-N 2.86Å; N185-G188 VanDerWaalsContact OD1-C 3.26Å; N185-G188 VanDerWaalsContact OD1-CA 3.23Å; N185-G188 WeakPolarHBondContact OD1-CA 3.43Å; N185-G188 PolarHBondContact OD1-N 2.87Å; N185-S189 PolarHBondContact ND2-OG 2.82Å; N185-S189 PolarHBondContact OD1-N 2.82Å; N185-L190 VanDerWaalsContact CG-O 3.27Å; N185-L190 PolarHBondContact N-O 3.23Å; N185-L190 PolarHBondContact OD1-N 2.76Å; N185-L190 VanDerWaalsContact OD1-N 3.1Å; N185-L190 PolarHBondContact OD1-O 2.79Å; N185-F228 VanDerWaalsContact CA-CD2 3.49Å; N185-F228 HydrophobicContact CB-CB 4.24Å; N185-F228 HydrophobicContact CB-CD1 4.11Å; N185-F228 HydrophobicContact CB-CD2 3.53Å; N185-F228 HydrophobicContact CB-CE1 4.32Å; N185-F228 HydrophobicContact CB-CE2 3.7Å; N185-F228 HydrophobicContact CB-CG 3.7Å; N185-F228 HydrophobicContact CB-CZ 4.11Å; N185-F228 VanDerWaalsContact N-CD2 3.32Å
186	H	96.2	Very high	98.1	Very high	163 Å²	163	35.7 Å²	35.7	76%	0.755	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-37.6	-169.8	-172.9	67.1	0	0	0	114.8
187	N	97.2	Very high	98	Very high	87 Å²	87	33.4 Å²	33.4	47%	0.465	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-3.4	179.4	68	-1.1	0	0	0	113.7	T143 N185 S189	T143-N187 PolarHBondContact OG1-O 2.91Å; N185-N187 VanDerWaalsContact C-N 3.29Å; N185-N187 PolarHBondContact ND2-OD1 3.03Å; N185-N187 PolarHBondContact O-N 3.43Å; N185-N187 VanDerWaalsContact O-N 3.15Å; N185-N187 PolarHBondContact OD1-OD1 2.87Å; N187-S189 PolarHBondContact O-N 3.32Å; N187-S189 VanDerWaalsContact OD1-CB 3.29Å; N187-S189 WeakPolarHBondContact OD1-CB 3.48Å; N187-S189 PolarHBondContact OD1-N 2.88Å; N187-S189 PolarHBondContact OD1-OG 3.34Å
188	G	97.9	Very high	98	Very high	4 Å²	4	34.2 Å²	34.2	4%	0.041	17%	0.171	C	C	.	.	S	Bend	trans	71.8	8.7	-176.1	0	0	0	0	0	115	H141 W184 N185 L190	H141-G188 PolarHBondContact NE2-O 2.82Å; W184-G188 WeakPolarHBondContact CZ3-O 3.48Å; N185-G188 PolarHBondContact O-N 2.86Å; N185-G188 VanDerWaalsContact OD1-C 3.26Å; N185-G188 VanDerWaalsContact OD1-CA 3.23Å; N185-G188 WeakPolarHBondContact OD1-CA 3.43Å; N185-G188 PolarHBondContact OD1-N 2.87Å; G188-L190 PolarHBondContact O-N 3.13Å
189	S	97.9	Very high	97.9	Very high	32 Å²	32	32.3 Å²	32.3	22%	0.224	16%	0.162	C	C	.	.	S	Bend	trans	-68.6	-25.5	179.1	72.3	0	0	0	0	113.3	N185 N187	N185-S189 PolarHBondContact ND2-OG 2.82Å; N185-S189 PolarHBondContact OD1-N 2.82Å; N187-S189 PolarHBondContact O-N 3.32Å; N187-S189 VanDerWaalsContact OD1-CB 3.29Å; N187-S189 WeakPolarHBondContact OD1-CB 3.48Å; N187-S189 PolarHBondContact OD1-N 2.88Å; N187-S189 PolarHBondContact OD1-OG 3.34Å
190	L	98.3	Very high	97.9	Very high	36 Å²	36	32.4 Å²	32.4	19%	0.188	16%	0.163	C	C	.	.			trans	-139.9	154.6	-178.4	-59.3	173.6	0	0	0	109.2	N185 G188 I202 I203 D204 V211 F228	N185-L190 VanDerWaalsContact CG-O 3.27Å; N185-L190 PolarHBondContact N-O 3.23Å; N185-L190 PolarHBondContact OD1-N 2.76Å; N185-L190 VanDerWaalsContact OD1-N 3.1Å; N185-L190 PolarHBondContact OD1-O 2.79Å; G188-L190 PolarHBondContact O-N 3.13Å; L190-I202 HydrophobicContact CB-CG2 4.21Å; L190-I202 HydrophobicContact CD1-CG2 3.86Å; L190-I202 HydrophobicContact CG-CG2 4.45Å; L190-I203 WeakPolarHBondContact CA-O 3.45Å; L190-I203 WeakPolarHBondContact CD2-O 3.3Å; L190-D204 HydrophobicContact CD2-CB 3.73Å; L190-V211 HydrophobicContact CD2-CG2 3.87Å; L190-F228 HydrophobicContact CB-CE2 4.45Å; L190-F228 HydrophobicContact CB-CZ 4.29Å
191	F	98.6	Very high	97.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	153.7	162.8	72.5	-87.2	0	0	0	110.2	L149 V157 L171 V182 S183 W184 I203 P205	L149-F191 HydrophobicContact CD1-CB 4.44Å; L149-F191 HydrophobicContact CD1-CD1 4.09Å; L149-F191 HydrophobicContact CD1-CD2 4.26Å; L149-F191 HydrophobicContact CD1-CE1 4.41Å; L149-F191 HydrophobicContact CD1-CG 4.01Å; V157-F191 HydrophobicContact CG1-CZ 4.14Å; V157-F191 HydrophobicContact CG2-CZ 4.46Å; L171-F191 HydrophobicContact CD1-CE1 3.72Å; L171-F191 HydrophobicContact CD1-CZ 3.7Å; V182-F191 HydrophobicContact CB-CD2 4.28Å; V182-F191 HydrophobicContact CG1-CD2 4.29Å; V182-F191 HydrophobicContact CG1-CE2 4.34Å; S183-F191 CarbonylContact O-C 3.6Å; S183-F191 VanDerWaalsContact O-CA 3.23Å; S183-F191 WeakPolarHBondContact O-CA 3.41Å; S183-F191 WeakPolarHBondContact O-CB 3.38Å; W184-F191 HydrophobicContact CD2-CB 4.16Å; W184-F191 HydrophobicContact CE3-CB 3.83Å; W184-F191 HydrophobicContact CH2-CD1 4.47Å; W184-F191 HydrophobicContact CZ3-CB 4.19Å; W184-F191 HydrophobicContact CZ3-CD1 4.26Å; F191-I203 HydrophobicContact CD1-CB 4.29Å; F191-I203 HydrophobicContact CD1-CG2 4.49Å; F191-I203 HydrophobicContact CE1-CB 3.73Å; F191-I203 HydrophobicContact CE1-CG2 3.6Å; F191-I203 HydrophobicContact CE2-CB 4.17Å; F191-I203 HydrophobicContact CE2-CD1 3.65Å; F191-I203 HydrophobicContact CE2-CG1 4.44Å; F191-I203 HydrophobicContact CZ-CB 3.67Å; F191-I203 HydrophobicContact CZ-CD1 3.59Å; F191-I203 HydrophobicContact CZ-CG1 4.22Å; F191-I203 HydrophobicContact CZ-CG2 3.69Å; F191-I203 PolarHBondContact N-O 2.78Å; F191-I203 VanDerWaalsContact N-O 3.15Å; F191-I203 PolarHBondContact O-N 3.44Å; F191-P205 HydrophobicContact CD1-CB 4.25Å; F191-P205 HydrophobicContact CD1-CG 4.24Å; F191-P205 HydrophobicContact CE1-CB 3.97Å; F191-P205 HydrophobicContact CE1-CG 4.44Å
192	C	98.4	Very high	97.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	148.1	169.2	70	0	0	0	0	110	V182 S183 R201 I202 F228	V182-C192 CarbonylContact C-O 3.58Å; V182-C192 VanDerWaalsContact CA-O 3.24Å; V182-C192 WeakPolarHBondContact CA-O 3.41Å; S183-C192 PolarHBondContact N-O 3.3Å; S183-C192 PolarHBondContact O-N 3.27Å; C192-R201 CarbonylContact C-O 3.54Å; C192-R201 WeakPolarHBondContact CA-O 3.4Å; C192-I202 HydrophobicContact CB-CG1 4.24Å; C192-F228 HydrophobicContact CB-CD2 4.05Å; C192-F228 HydrophobicContact CB-CE2 3.65Å; C192-F228 HydrophobicContact CB-CZ 4.04Å; C192-F228 VanDerWaalsContact N-CE2 3.27Å
193	S	98.4	Very high	97.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	139.4	178.3	62.4	0	0	0	0	111.2	H175 N181 V200 R201	H175-S193 WeakPolarHBondContact NE2-CB 3.34Å; H175-S193 PolarHBondContact NE2-OG 2.97Å; N181-S193 VanDerWaalsContact O-CA 3.28Å; N181-S193 WeakPolarHBondContact O-CA 3.23Å; S193-V200 VanDerWaalsContact O-CA 3.32Å; S193-V200 WeakPolarHBondContact O-CA 3.17Å; S193-R201 PolarHBondContact N-O 3.17Å; S193-R201 PolarHBondContact O-N 3.25Å
194	A	98.3	Very high	97.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	133.1	168	0	0	0	0	0	110.1	Y180 N181 M224 A226	Y180-A194 PolarHBondContact N-O 2.61Å; N181-A194 PolarHBondContact O-N 3.31Å; N181-A194 WeakPolarHBondContact OD1-CB 3.27Å; A194-M224 HydrophobicContact CB-CG 3.64Å; A194-A226 HydrophobicContact CB-CB 4.21Å
195	C	98.1	Very high	97.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	154	-175.4	-176.8	0	0	0	0	112	D177 L178 D197 K198 S199	D177-C195 PolarHBondContact O-SG 3.06Å; D177-C195 VanDerWaalsContact O-SG 3.35Å; L178-C195 CarbonylContact O-C 3.6Å; L178-C195 WeakPolarHBondContact O-CA 3.32Å; C195-D197 WeakPolarHBondContact CB-OD1 3.19Å; C195-D197 PolarHBondContact O-N 3.3Å; C195-D197 PolarHBondContact SG-OD1 3.05Å; C195-D197 PolarHBondContact SG-OD2 2.8Å; C195-K198 WeakPolarHBondContact O-CA 3.39Å; C195-K198 PolarHBondContact O-N 3.49Å; C195-S199 PolarHBondContact N-O 2.87Å
196	K	97.9	Very high	97.8	Very high	94 Å²	94	35.3 Å²	35.3	41%	0.409	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-20.5	178	177.9	162.5	156.4	-104.7	0	114.2	D177 L178 Y180 K198	D177-K196 HydrophobicContact CB-CB 4.05Å; D177-K196 HydrophobicContact CB-CG 4.48Å; D177-K196 VanDerWaalsContact CG-NZ 3.29Å; D177-K196 IonicContact OD1-NZ 3.88Å; D177-K196 PolarHBondContact OD1-NZ 2.8Å; D177-K196 WeakPolarHBondContact OD2-CE 3.41Å; D177-K196 WeakPolarHBondContact OD2-CG 3.49Å; D177-K196 IonicContact OD2-NZ 2.87Å; D177-K196 PolarHBondContact OD2-NZ 3.39Å; L178-K196 HydrophobicContact CB-CB 4.01Å; L178-K196 HydrophobicContact CB-CD 4.1Å; L178-K196 WeakPolarHBondContact O-CB 3.28Å; L178-K196 PolarHBondContact O-N 2.93Å; Y180-K196 HydrophobicContact CE1-CB 4.15Å; Y180-K196 HydrophobicContact CE2-CB 3.83Å; Y180-K196 HydrophobicContact CE2-CG 4.49Å; Y180-K196 WeakPolarHBondContact OH-CB 3.35Å; Y180-K196 WeakPolarHBondContact OH-CD 3.25Å; Y180-K196 VanDerWaalsContact OH-CG 3.26Å; Y180-K196 WeakPolarHBondContact OH-CG 3.4Å; K196-K198 PolarHBondContact O-N 3.05Å; K196-K198 VanDerWaalsContact O-N 3.09Å
197	D	97.1	Very high	97.8	Very high	48 Å²	48	36.8 Å²	36.8	26%	0.257	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	0.4	167.5	67.3	4.2	0	0	0	113.9	P176 C195 S199 R201	P176-D197 WeakPolarHBondContact CD-OD2 3.36Å; P176-D197 HydrophobicContact CG-CB 4.23Å; P176-D197 VanDerWaalsContact CG-OD2 3.29Å; P176-D197 WeakPolarHBondContact CG-OD2 3.5Å; C195-D197 WeakPolarHBondContact CB-OD1 3.19Å; C195-D197 PolarHBondContact O-N 3.3Å; C195-D197 PolarHBondContact SG-OD1 3.05Å; C195-D197 PolarHBondContact SG-OD2 2.8Å; D197-S199 VanDerWaalsContact C-N 3.29Å; D197-S199 VanDerWaalsContact OD1-CB 3.31Å; D197-S199 WeakPolarHBondContact OD1-CB 3.46Å; D197-S199 PolarHBondContact OD1-N 3.43Å; D197-R201 IonicContact OD1-NH1 3.22Å; D197-R201 IonicContact OD2-CZ 3.85Å; D197-R201 IonicContact OD2-NH1 3.36Å; D197-R201 PolarHBondContact OD2-NH1 3.02Å; D197-R201 IonicContact OD2-NH2 2.66Å; D197-R201 PolarHBondContact OD2-NH2 2.86Å
198	K	96.9	Very high	97.7	Very high	68 Å²	68	34.2 Å²	34.2	30%	0.296	16%	0.161	S	C	.	.	S	Bend	trans	74.7	10.8	-179.3	-47.2	178.5	-177.9	-174.9	0	114.8	C195 K196 K216 A217 E219 G220 M224	C195-K198 WeakPolarHBondContact O-CA 3.39Å; C195-K198 PolarHBondContact O-N 3.49Å; K196-K198 PolarHBondContact O-N 3.05Å; K196-K198 VanDerWaalsContact O-N 3.09Å; K198-K216 CarbonylContact O-C 3.57Å; K198-K216 VanDerWaalsContact O-CA 3.31Å; K198-K216 WeakPolarHBondContact O-CA 3.49Å; K198-K216 PolarHBondContact O-N 2.71Å; K198-K216 VanDerWaalsContact O-N 3.12Å; K198-A217 PolarHBondContact O-N 3.14Å; K198-E219 PolarHBondContact NZ-O 3.48Å; K198-G220 VanDerWaalsContact CE-O 3.27Å; K198-G220 WeakPolarHBondContact CE-O 3.47Å; K198-M224 HydrophobicContact CB-CE 3.99Å; K198-M224 HydrophobicContact CG-CE 4.49Å
199	S	96.9	Very high	97.5	Very high	7 Å²	7	36.9 Å²	36.9	5%	0.049	18%	0.176	C	C	.	.			trans	-90.5	144.2	174.5	-71.8	0	0	0	0	112	C195 D197 E213 R214	C195-S199 PolarHBondContact N-O 2.87Å; D197-S199 VanDerWaalsContact C-N 3.29Å; D197-S199 VanDerWaalsContact OD1-CB 3.31Å; D197-S199 WeakPolarHBondContact OD1-CB 3.46Å; D197-S199 PolarHBondContact OD1-N 3.43Å; S199-E213 WeakPolarHBondContact CB-OE1 3.19Å; S199-E213 PolarHBondContact OG-OE1 3.14Å; S199-R214 WeakPolarHBondContact CA-O 3.25Å
200	V	98.2	Very high	97.4	Very high	7 Å²	7	38.7 Å²	38.7	4%	0.042	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	124.7	162.1	174.6	0	0	0	0	108.2	S193 E213 R214 A217 M224 A226 V234 T236	S193-V200 VanDerWaalsContact O-CA 3.32Å; S193-V200 WeakPolarHBondContact O-CA 3.17Å; V200-E213 WeakPolarHBondContact O-CA 3.43Å; V200-R214 HydrophobicContact CB-CB 4.47Å; V200-R214 PolarHBondContact N-O 2.92Å; V200-R214 PolarHBondContact O-N 3.46Å; V200-A217 HydrophobicContact CB-CB 4.32Å; V200-A217 HydrophobicContact CG2-CB 3.7Å; V200-M224 HydrophobicContact CG2-SD 3.89Å; V200-A226 HydrophobicContact CG1-CB 3.66Å; V200-A226 HydrophobicContact CG2-CB 4.05Å; V200-V234 HydrophobicContact CG1-CG1 4.12Å; V200-T236 HydrophobicContact CG2-CG2 4.03Å
201	R	98.1	Very high	97.2	Very high	19 Å²	19	41 Å²	41	7%	0.072	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	144.7	-175.9	-65.3	-175.4	176	89.5	8.3	110.7	L174 C192 S193 D197 I203 L210 E213	L174-R201 PolarHBondContact O-NE 2.89Å; C192-R201 CarbonylContact C-O 3.54Å; C192-R201 WeakPolarHBondContact CA-O 3.4Å; S193-R201 PolarHBondContact N-O 3.17Å; S193-R201 PolarHBondContact O-N 3.25Å; D197-R201 IonicContact OD1-NH1 3.22Å; D197-R201 IonicContact OD2-CZ 3.85Å; D197-R201 IonicContact OD2-NH1 3.36Å; D197-R201 PolarHBondContact OD2-NH1 3.02Å; D197-R201 IonicContact OD2-NH2 2.66Å; D197-R201 PolarHBondContact OD2-NH2 2.86Å; R201-I203 HydrophobicContact CB-CD1 4.07Å; R201-I203 HydrophobicContact CB-CG1 4.14Å; R201-L210 HydrophobicContact CB-CD1 3.59Å; R201-L210 HydrophobicContact CG-CD1 3.72Å; R201-E213 HydrophobicContact CG-CB 4.41Å; R201-E213 HydrophobicContact CG-CG 4.09Å; R201-E213 IonicContact CZ-OE1 2.72Å; R201-E213 VanDerWaalsContact CZ-OE1 3.29Å; R201-E213 IonicContact NE-OE1 2.68Å; R201-E213 PolarHBondContact NE-OE1 3.31Å; R201-E213 IonicContact NE-OE2 2.72Å; R201-E213 PolarHBondContact NE-OE2 3.27Å; R201-E213 IonicContact NH2-OE1 2.85Å; R201-E213 PolarHBondContact NH2-OE1 3.39Å; R201-E213 IonicContact NH2-OE2 3.29Å
202	I	98.3	Very high	97.1	Very high	10 Å²	10	42.3 Å²	42.3	5%	0.051	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	125.1	168.2	-62.5	179.7	0	0	0	107.7	L190 C192 V211 A212 F228 V234 P252	L190-I202 HydrophobicContact CB-CG2 4.21Å; L190-I202 HydrophobicContact CD1-CG2 3.86Å; L190-I202 HydrophobicContact CG-CG2 4.45Å; C192-I202 HydrophobicContact CB-CG1 4.24Å; I202-V211 HydrophobicContact CG2-CB 4.15Å; I202-V211 PolarHBondContact O-N 3.41Å; I202-A212 HydrophobicContact CB-CB 4.28Å; I202-A212 HydrophobicContact CD1-CB 4.36Å; I202-A212 PolarHBondContact N-O 3.37Å; I202-A212 PolarHBondContact O-N 3.28Å; I202-F228 HydrophobicContact CD1-CE1 4.02Å; I202-F228 HydrophobicContact CD1-CZ 4.06Å; I202-F228 HydrophobicContact CG1-CE1 4.46Å; I202-F228 HydrophobicContact CG1-CZ 4.05Å; I202-F228 HydrophobicContact CG2-CZ 3.87Å; I202-V234 HydrophobicContact CD1-CG2 3.87Å; I202-V234 HydrophobicContact CG1-CG2 4.36Å; I202-P252 HydrophobicContact CD1-CB 3.21Å; I202-P252 HydrophobicContact CD1-CG 3.58Å
203	I	98.6	Very high	97	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	136.7	-166.3	-62.2	162.6	0	0	0	109.2	L171 L174 L190 F191 R201 P205 L210	L171-I203 HydrophobicContact CD1-CG2 4.04Å; L174-I203 HydrophobicContact CD1-CD1 3.93Å; L174-I203 HydrophobicContact CD1-CG1 4.11Å; L174-I203 HydrophobicContact CD1-CG2 3.61Å; L190-I203 WeakPolarHBondContact CA-O 3.45Å; L190-I203 WeakPolarHBondContact CD2-O 3.3Å; F191-I203 HydrophobicContact CD1-CB 4.29Å; F191-I203 HydrophobicContact CD1-CG2 4.49Å; F191-I203 HydrophobicContact CE1-CB 3.73Å; F191-I203 HydrophobicContact CE1-CG2 3.6Å; F191-I203 HydrophobicContact CE2-CB 4.17Å; F191-I203 HydrophobicContact CE2-CD1 3.65Å; F191-I203 HydrophobicContact CE2-CG1 4.44Å; F191-I203 HydrophobicContact CZ-CB 3.67Å; F191-I203 HydrophobicContact CZ-CD1 3.59Å; F191-I203 HydrophobicContact CZ-CG1 4.22Å; F191-I203 HydrophobicContact CZ-CG2 3.69Å; F191-I203 PolarHBondContact N-O 2.78Å; F191-I203 VanDerWaalsContact N-O 3.15Å; F191-I203 PolarHBondContact O-N 3.44Å; R201-I203 HydrophobicContact CB-CD1 4.07Å; R201-I203 HydrophobicContact CB-CG1 4.14Å; I203-P205 WeakPolarHBondContact O-CD 3.49Å; I203-L210 HydrophobicContact CG1-CD1 4.29Å
204	D	98.1	Very high	96.9	Very high	20 Å²	20	49.5 Å²	49.5	11%	0.107	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	106.9	163.2	-173.1	-27	0	0	0	108.2	L190 R206 R207 G208 T209 V211	L190-D204 HydrophobicContact CD2-CB 3.73Å; D204-R206 VanDerWaalsContact C-N 3.26Å; D204-R206 PolarHBondContact O-N 3.19Å; D204-R206 PolarHBondContact OD1-N 2.85Å; D204-R206 IonicContact OD1-NE 3.84Å; D204-R206 PolarHBondContact OD1-NE 3.42Å; D204-R206 IonicContact OD1-NH2 3.64Å; D204-R206 IonicContact OD2-NH2 3.73Å; D204-R207 HydrophobicContact CB-CB 4.32Å; D204-R207 HydrophobicContact CB-CG 4.49Å; D204-R207 PolarHBondContact O-N 3.14Å; D204-R207 WeakPolarHBondContact OD2-CD 3.17Å; D204-G208 PolarHBondContact O-N 3.28Å; D204-T209 PolarHBondContact N-O 2.99Å; D204-T209 PolarHBondContact O-N 2.99Å; D204-V211 HydrophobicContact CB-CG2 4.03Å
205	P	97.4	Very high	96.7	Very high	6 Å²	6	55.8 Å²	55.8	4%	0.039	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-30.9	-174.7	24	-32	0	0	0	112.7	I159 L171 W184 F191 I203 R207 G208	I159-P205 HydrophobicContact CD1-CB 4.35Å; I159-P205 HydrophobicContact CG1-CB 4.07Å; L171-P205 HydrophobicContact CD1-CB 4.39Å; W184-P205 HydrophobicContact CH2-CB 4.49Å; W184-P205 HydrophobicContact CH2-CG 3.83Å; W184-P205 HydrophobicContact CZ3-CG 3.83Å; F191-P205 HydrophobicContact CD1-CB 4.25Å; F191-P205 HydrophobicContact CD1-CG 4.24Å; F191-P205 HydrophobicContact CE1-CB 3.97Å; F191-P205 HydrophobicContact CE1-CG 4.44Å; I203-P205 WeakPolarHBondContact O-CD 3.49Å; P205-R207 VanDerWaalsContact C-N 3.33Å; P205-R207 PolarHBondContact O-N 3.36Å; P205-G208 PolarHBondContact O-N 2.66Å
206	R	97	Very high	96.5	Very high	141 Å²	141	62.9 Å²	62.9	53%	0.532	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-29.2	-174.8	-60.3	166.8	-65.7	-177.8	0.6	112	Y169 D204	Y169-R206 HydrophobicContact CE1-CB 4.35Å; Y169-R206 HydrophobicContact CE2-CB 4.38Å; Y169-R206 HydrophobicContact CE2-CG 3.81Å; D204-R206 VanDerWaalsContact C-N 3.26Å; D204-R206 PolarHBondContact O-N 3.19Å; D204-R206 PolarHBondContact OD1-N 2.85Å; D204-R206 IonicContact OD1-NE 3.84Å; D204-R206 PolarHBondContact OD1-NE 3.42Å; D204-R206 IonicContact OD1-NH2 3.64Å; D204-R206 IonicContact OD2-NH2 3.73Å
207	R	96.1	Very high	96.4	Very high	193 Å²	193	58.7 Å²	58.7	73%	0.728	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-16.6	177	-59.6	-176.3	71.6	145.7	3.2	112.2	D204 P205 T209	D204-R207 HydrophobicContact CB-CB 4.32Å; D204-R207 HydrophobicContact CB-CG 4.49Å; D204-R207 PolarHBondContact O-N 3.14Å; D204-R207 WeakPolarHBondContact OD2-CD 3.17Å; P205-R207 VanDerWaalsContact C-N 3.33Å; P205-R207 PolarHBondContact O-N 3.36Å; R207-T209 HydrophobicContact CB-CG2 4.04Å; R207-T209 WeakPolarHBondContact CB-OG1 3.39Å; R207-T209 PolarHBondContact O-N 3.16Å
208	G	94.6	Very high	96.4	Very high	33 Å²	33	56.7 Å²	56.7	34%	0.34	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	26.6	-171.3	0	0	0	0	0	113.3	D204 P205	D204-G208 PolarHBondContact O-N 3.28Å; P205-G208 PolarHBondContact O-N 2.66Å
209	T	93.6	Very high	96.2	Very high	60 Å²	60	59.3 Å²	59.3	37%	0.368	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	141.1	-172	56.5	0	0	0	0	112.6	D204 R207 V211	D204-T209 PolarHBondContact N-O 2.99Å; D204-T209 PolarHBondContact O-N 2.99Å; R207-T209 HydrophobicContact CB-CG2 4.04Å; R207-T209 WeakPolarHBondContact CB-OG1 3.39Å; R207-T209 PolarHBondContact O-N 3.16Å; T209-V211 PolarHBondContact O-N 2.83Å
210	L	95.5	Very high	96.1	Very high	70 Å²	70	59.1 Å²	59.1	37%	0.366	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	119	166.4	-176	67.7	0	0	0	110.3	R201 I203 A212 E213	R201-L210 HydrophobicContact CB-CD1 3.59Å; R201-L210 HydrophobicContact CG-CD1 3.72Å; I203-L210 HydrophobicContact CG1-CD1 4.29Å; L210-A212 VanDerWaalsContact CD1-O 3.3Å; L210-A212 WeakPolarHBondContact CD1-O 3.47Å; L210-E213 HydrophobicContact CD1-CB 4.23Å; L210-E213 HydrophobicContact CD2-CB 3.89Å; L210-E213 VanDerWaalsContact CD2-OE2 3.28Å; L210-E213 WeakPolarHBondContact CD2-OE2 3.41Å; L210-E213 HydrophobicContact CG-CB 4.39Å
211	V	96.1	Very high	95.7	Very high	85 Å²	85	63 Å²	63	52%	0.515	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-42.3	177.3	177.7	0	0	0	0	110.9	L190 I202 D204 T209	L190-V211 HydrophobicContact CD2-CG2 3.87Å; I202-V211 HydrophobicContact CG2-CB 4.15Å; I202-V211 PolarHBondContact O-N 3.41Å; D204-V211 HydrophobicContact CB-CG2 4.03Å; T209-V211 PolarHBondContact O-N 2.83Å
212	A	95.7	Very high	95.5	Very high	27 Å²	27	68.7 Å²	68.7	22%	0.223	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	151.5	176.6	0	0	0	0	0	110.6	I202 L210 P252	I202-A212 HydrophobicContact CB-CB 4.28Å; I202-A212 HydrophobicContact CD1-CB 4.36Å; I202-A212 PolarHBondContact N-O 3.37Å; I202-A212 PolarHBondContact O-N 3.28Å; L210-A212 VanDerWaalsContact CD1-O 3.3Å; L210-A212 WeakPolarHBondContact CD1-O 3.47Å; A212-P252 HydrophobicContact CB-CB 4.3Å
213	E	95.8	Very high	95.4	Very high	71 Å²	71	70.2 Å²	70.2	33%	0.332	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	136.4	174.9	177.3	166.2	-173.9	0	0	110.5	S199 V200 R201 L210 E215	S199-E213 WeakPolarHBondContact CB-OE1 3.19Å; S199-E213 PolarHBondContact OG-OE1 3.14Å; V200-E213 WeakPolarHBondContact O-CA 3.43Å; R201-E213 HydrophobicContact CG-CB 4.41Å; R201-E213 HydrophobicContact CG-CG 4.09Å; R201-E213 IonicContact CZ-OE1 2.72Å; R201-E213 VanDerWaalsContact CZ-OE1 3.29Å; R201-E213 IonicContact NE-OE1 2.68Å; R201-E213 PolarHBondContact NE-OE1 3.31Å; R201-E213 IonicContact NE-OE2 2.72Å; R201-E213 PolarHBondContact NE-OE2 3.27Å; R201-E213 IonicContact NH2-OE1 2.85Å; R201-E213 PolarHBondContact NH2-OE1 3.39Å; R201-E213 IonicContact NH2-OE2 3.29Å; L210-E213 HydrophobicContact CD1-CB 4.23Å; L210-E213 HydrophobicContact CD2-CB 3.89Å; L210-E213 VanDerWaalsContact CD2-OE2 3.28Å; L210-E213 WeakPolarHBondContact CD2-OE2 3.41Å; L210-E213 HydrophobicContact CG-CB 4.39Å; E213-E215 HydrophobicContact CG-CG 4.15Å
214	R	95.6	Very high	95.3	Very high	81 Å²	81	70.4 Å²	70.4	31%	0.306	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	96.1	167.3	179.5	60.6	176.2	-178	5	108.3	S199 V200 A217 W250	S199-R214 WeakPolarHBondContact CA-O 3.25Å; V200-R214 HydrophobicContact CB-CB 4.47Å; V200-R214 PolarHBondContact N-O 2.92Å; V200-R214 PolarHBondContact O-N 3.46Å; R214-A217 HydrophobicContact CG-CB 3.98Å; R214-W250 HydrophobicContact CG-CD2 4.35Å; R214-W250 HydrophobicContact CG-CE3 4.33Å; R214-W250 VanDerWaalsContact CZ-CZ3 3.42Å; R214-W250 VanDerWaalsContact NH2-CZ3 3.28Å
215	E	95.4	Very high	95.3	Very high	132 Å²	132	72.5 Å²	72.5	62%	0.617	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	144.4	170.3	-66	-178.7	-165.4	0	0	111	E213 A217	E213-E215 HydrophobicContact CG-CG 4.15Å; E215-A217 VanDerWaalsContact C-N 3.26Å; E215-A217 PolarHBondContact O-N 3.41Å
216	K	94.3	Very high	95.3	Very high	148 Å²	148	72.2 Å²	72.2	64%	0.643	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	47.9	178.3	-58	176.3	-176.7	172.7	0	111.8	K198 H218	K198-K216 CarbonylContact O-C 3.57Å; K198-K216 VanDerWaalsContact O-CA 3.31Å; K198-K216 WeakPolarHBondContact O-CA 3.49Å; K198-K216 PolarHBondContact O-N 2.71Å; K198-K216 VanDerWaalsContact O-N 3.12Å; K216-H218 PolarHBondContact O-N 2.97Å; K216-H218 VanDerWaalsContact O-N 3.16Å
217	A	95.3	Very high	95.4	Very high	7 Å²	7	69 Å²	69	6%	0.058	35%	0.348	C	S	.	.	S	Bend	trans	-55.1	-34.8	178.4	0	0	0	0	0	111.6	K198 V200 R214 E215 M224 W250	K198-A217 PolarHBondContact O-N 3.14Å; V200-A217 HydrophobicContact CB-CB 4.32Å; V200-A217 HydrophobicContact CG2-CB 3.7Å; R214-A217 HydrophobicContact CG-CB 3.98Å; E215-A217 VanDerWaalsContact C-N 3.26Å; E215-A217 PolarHBondContact O-N 3.41Å; A217-M224 HydrophobicContact CB-SD 4.06Å; A217-W250 HydrophobicContact CB-CZ2 4.44Å; A217-W250 WeakPolarHBondContact O-CZ2 3.26Å
218	H	96.6	Very high	95.5	Very high	6 Å²	6	61 Å²	61	3%	0.028	32%	0.318	C	S	.	.	S	Bend	trans	-135.8	143.2	167.4	-64.7	-81.7	0	0	0	109.7	K216 M224 T236 F239 Q246	K216-H218 PolarHBondContact O-N 2.97Å; K216-H218 VanDerWaalsContact O-N 3.16Å; H218-M224 HydrophobicContact CB-CE 4.11Å; H218-T236 WeakPolarHBondContact NE2-CB 3.47Å; H218-T236 PolarHBondContact NE2-OG1 3.39Å; H218-F239 WeakPolarHBondContact CB-O 3.28Å; H218-Q246 PolarHBondContact ND1-OE1 3.31Å; H218-Q246 VanDerWaalsContact ND1-OE1 3.16Å
219	E	93.5	Very high	95.6	Very high	122 Å²	122	62.5 Å²	62.5	57%	0.57	32%	0.318	S	S	*	.			trans	-82	-19.7	-175.3	-66.2	-165.4	168.6	0	0	114.2	K198 R241	K198-E219 PolarHBondContact NZ-O 3.48Å; E219-R241 HydrophobicContact CB-CB 4.29Å
220	G	93.6	Very high	95.6	Very high	4 Å²	4	64.6 Å²	64.6	4%	0.041	34%	0.341	C	S	.	.	S	Bend	trans	-64.5	164.4	-179.4	0	0	0	0	0	113.6	K198 F239 S240	K198-G220 VanDerWaalsContact CE-O 3.27Å; K198-G220 WeakPolarHBondContact CE-O 3.47Å; G220-F239 VanDerWaalsContact CA-O 3.23Å; G220-F239 WeakPolarHBondContact CA-O 3.23Å; G220-F239 PolarHBondContact N-O 3.16Å; G220-S240 VanDerWaalsContact CA-O 3.23Å; G220-S240 WeakPolarHBondContact CA-O 3.46Å
221	A	90.6	Very high	95.5	Very high	87 Å²	87	65.9 Å²	65.9	72%	0.719	35%	0.348	S	S	*	.	S	Bend	trans	-95.4	-5.7	179.8	0	0	0	0	0	113.7
222	R	94.7	Very high	95.4	Very high	140 Å²	140	63.3 Å²	63.3	53%	0.528	34%	0.339	S	S	.	.	S	Bend	trans	-83.1	157.6	-179.8	-72.9	176.1	-179	-108.2	1.1	110.9	F239	R222-F239 HydrophobicContact CB-CB 4.19Å; R222-F239 HydrophobicContact CB-CD1 4.28Å; R222-F239 HydrophobicContact CB-CD2 3.28Å; R222-F239 HydrophobicContact CB-CE2 3.59Å; R222-F239 HydrophobicContact CB-CG 3.67Å; R222-F239 HydrophobicContact CB-CZ 4.2Å; R222-F239 HydrophobicContact CG-CD2 4.31Å; R222-F239 HydrophobicContact CG-CE2 4.48Å; R222-F239 HydrophobicContact CG-CG 4.32Å
223	P	94.9	Very high	95.4	Very high	42 Å²	42	64.7 Å²	64.7	27%	0.273	34%	0.34	S	S	.	.			trans	-53.8	145.4	178.9	-26.7	35.3	0	0	0	113.1	Y180 F239	Y180-P223 HydrophobicContact CD1-CB 3.88Å; Y180-P223 HydrophobicContact CD1-CG 4.27Å; Y180-P223 HydrophobicContact CD2-CB 4.24Å; Y180-P223 HydrophobicContact CE1-CB 3.88Å; Y180-P223 HydrophobicContact CE1-CG 3.86Å; Y180-P223 HydrophobicContact CE2-CB 4.22Å; Y180-P223 HydrophobicContact CG-CB 4.06Å; P223-F239 WeakPolarHBondContact O-CD2 3.46Å; P223-F239 WeakPolarHBondContact O-CE2 3.25Å
224	M	96.1	Very high	95.5	Very high	4 Å²	4	61.5 Å²	61.5	2%	0.02	33%	0.325	C	S	.	.			trans	-117.3	166.8	172.8	76.3	-177.3	68.6	0	0	110.1	Y180 A194 K198 V200 A217 H218 T237	Y180-M224 WeakPolarHBondContact CB-O 3.39Å; Y180-M224 HydrophobicContact CD2-CG 4.37Å; A194-M224 HydrophobicContact CB-CG 3.64Å; K198-M224 HydrophobicContact CB-CE 3.99Å; K198-M224 HydrophobicContact CG-CE 4.49Å; V200-M224 HydrophobicContact CG2-SD 3.89Å; A217-M224 HydrophobicContact CB-SD 4.06Å; H218-M224 HydrophobicContact CB-CE 4.11Å; M224-T237 CarbonylContact C-O 3.47Å; M224-T237 WeakPolarHBondContact CA-O 3.27Å; M224-T237 WeakPolarHBondContact CB-O 3.23Å
225	R	98.2	Very high	95.6	Very high	63 Å²	63	60.8 Å²	60.8	24%	0.238	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	148.6	172.4	-64.4	-67.3	-175.5	-91.5	8.1	109.8	D37 Y180 N181 T236 T237	D37-R225 PolarHBondContact O-NH2 3.25Å; Y180-R225 PolarHBondContact O-NH1 2.99Å; N181-R225 VanDerWaalsContact CB-CD 3.49Å; N181-R225 VanDerWaalsContact OD1-CA 3.28Å; N181-R225 WeakPolarHBondContact OD1-CA 3.36Å; R225-T236 CarbonylContact O-C 3.6Å; R225-T236 WeakPolarHBondContact O-CA 3.31Å; R225-T236 VanDerWaalsContact O-CB 3.24Å; R225-T236 WeakPolarHBondContact O-CB 3.42Å; R225-T237 PolarHBondContact N-O 3.28Å; R225-T237 PolarHBondContact O-N 3.28Å
226	A	98.3	Very high	95.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	131.1	174.3	0	0	0	0	0	109.9	N181 A194 V200 V234 F235 T236	N181-A226 PolarHBondContact ND2-O 2.81Å; N181-A226 PolarHBondContact OD1-N 3.33Å; N181-A226 PolarHBondContact OD1-O 3.04Å; A194-A226 HydrophobicContact CB-CB 4.21Å; V200-A226 HydrophobicContact CG1-CB 3.66Å; V200-A226 HydrophobicContact CG2-CB 4.05Å; A226-V234 HydrophobicContact CB-CG1 3.98Å; A226-F235 WeakPolarHBondContact CA-O 3.35Å; A226-T236 HydrophobicContact CB-CG2 3.91Å
227	I	98.4	Very high	96	Very high	75 Å²	75	50 Å²	50	39%	0.385	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	148.9	173.7	64.4	171.8	0	0	0	110.6	V234 F235	I227-V234 CarbonylContact O-C 3.55Å; I227-V234 WeakPolarHBondContact O-CA 3.32Å; I227-F235 HydrophobicContact CD1-CD1 4.35Å; I227-F235 HydrophobicContact CG1-CB 4.04Å; I227-F235 HydrophobicContact CG1-CD1 4.32Å; I227-F235 PolarHBondContact N-O 2.95Å; I227-F235 PolarHBondContact O-N 2.7Å
228	F	97.9	Very high	96.1	Very high	25 Å²	25	49.8 Å²	49.8	11%	0.11	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	142.6	166.6	-83.6	-71	0	0	0	111.7	S183 N185 L190 C192 I202 V234	S183-F228 WeakPolarHBondContact O-CD2 3.34Å; S183-F228 PolarHBondContact OG-N 2.72Å; N185-F228 VanDerWaalsContact CA-CD2 3.49Å; N185-F228 HydrophobicContact CB-CB 4.24Å; N185-F228 HydrophobicContact CB-CD1 4.11Å; N185-F228 HydrophobicContact CB-CD2 3.53Å; N185-F228 HydrophobicContact CB-CE1 4.32Å; N185-F228 HydrophobicContact CB-CE2 3.7Å; N185-F228 HydrophobicContact CB-CG 3.7Å; N185-F228 HydrophobicContact CB-CZ 4.11Å; N185-F228 VanDerWaalsContact N-CD2 3.32Å; L190-F228 HydrophobicContact CB-CE2 4.45Å; L190-F228 HydrophobicContact CB-CZ 4.29Å; C192-F228 HydrophobicContact CB-CD2 4.05Å; C192-F228 HydrophobicContact CB-CE2 3.65Å; C192-F228 HydrophobicContact CB-CZ 4.04Å; C192-F228 VanDerWaalsContact N-CE2 3.27Å; I202-F228 HydrophobicContact CD1-CE1 4.02Å; I202-F228 HydrophobicContact CD1-CZ 4.06Å; I202-F228 HydrophobicContact CG1-CE1 4.46Å; I202-F228 HydrophobicContact CG1-CZ 4.05Å; I202-F228 HydrophobicContact CG2-CZ 3.87Å; F228-V234 HydrophobicContact CD1-CG2 3.97Å; F228-V234 HydrophobicContact CE1-CG2 3.86Å
229	L	97.3	Very high	96.1	Very high	63 Å²	63	51.5 Å²	51.5	33%	0.33	29%	0.286	S	S	.	.			trans	-96.1	165.7	163.8	-58.1	-169.8	0	0	0	110.3	D231 G232 K233 F235 L249	L229-D231 PolarHBondContact O-N 2.76Å; L229-D231 VanDerWaalsContact O-N 3.15Å; L229-G232 PolarHBondContact O-N 2.85Å; L229-K233 HydrophobicContact CB-CB 4.48Å; L229-K233 HydrophobicContact CD1-CB 4.42Å; L229-K233 PolarHBondContact N-O 3.48Å; L229-F235 HydrophobicContact CD1-CB 4.28Å; L229-F235 HydrophobicContact CD2-CB 3.83Å; L229-F235 HydrophobicContact CG-CB 4.07Å; L229-L249 HydrophobicContact CD1-CD1 3.41Å; L229-L249 VanDerWaalsContact CD1-CD1 3.41Å; L229-L249 HydrophobicContact CG-CD1 4.4Å
230	A	93.9	Very high	96.3	Very high	104 Å²	104	46.1 Å²	46.1	86%	0.86	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-27.2	-176	0	0	0	0	0	114.2	G232	A230-G232 VanDerWaalsContact C-N 3.34Å
231	D	93.3	Very high	96.4	Very high	98 Å²	98	55.6 Å²	55.6	52%	0.524	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	9.5	179.3	69.5	-15.5	0	0	0	113.5	L229 K233	L229-D231 PolarHBondContact O-N 2.76Å; L229-D231 VanDerWaalsContact O-N 3.15Å; D231-K233 VanDerWaalsContact C-N 3.29Å; D231-K233 PolarHBondContact O-N 3Å; D231-K233 WeakPolarHBondContact OD1-CB 3.31Å; D231-K233 WeakPolarHBondContact OD1-CG 3.48Å; D231-K233 PolarHBondContact OD1-N 3.24Å; D231-K233 WeakPolarHBondContact OD2-CD 3.29Å; D231-K233 IonicContact OD2-NZ 2.71Å; D231-K233 PolarHBondContact OD2-NZ 3.35Å
232	G	93.3	Very high	96.7	Very high	31 Å²	31	58.9 Å²	58.9	32%	0.32	30%	0.299	S	S	.	.	S	Bend	trans	82.8	-2.6	-179.7	0	0	0	0	0	114.8	L229 A230 P252	L229-G232 PolarHBondContact O-N 2.85Å; A230-G232 VanDerWaalsContact C-N 3.34Å; G232-P252 WeakPolarHBondContact O-CG 3.5Å
233	K	96.2	Very high	96.8	Very high	56 Å²	56	55.3 Å²	55.3	24%	0.243	30%	0.296	C	S	.	.			trans	-66.9	160.2	168.4	-68	-176.6	-178.1	60.4	0	110.7	L229 D231 L249 W250 D251	L229-K233 HydrophobicContact CB-CB 4.48Å; L229-K233 HydrophobicContact CD1-CB 4.42Å; L229-K233 PolarHBondContact N-O 3.48Å; D231-K233 VanDerWaalsContact C-N 3.29Å; D231-K233 PolarHBondContact O-N 3Å; D231-K233 WeakPolarHBondContact OD1-CB 3.31Å; D231-K233 WeakPolarHBondContact OD1-CG 3.48Å; D231-K233 PolarHBondContact OD1-N 3.24Å; D231-K233 WeakPolarHBondContact OD2-CD 3.29Å; D231-K233 IonicContact OD2-NZ 2.71Å; D231-K233 PolarHBondContact OD2-NZ 3.35Å; K233-L249 HydrophobicContact CB-CD1 3.83Å; K233-L249 HydrophobicContact CD-CD1 4.17Å; K233-L249 HydrophobicContact CD-CD2 4.22Å; K233-L249 HydrophobicContact CD-CG 4.24Å; K233-W250 CarbonylContact C-O 3.57Å; K233-W250 VanDerWaalsContact CA-O 3.31Å; K233-W250 WeakPolarHBondContact CA-O 3.16Å; K233-W250 VanDerWaalsContact CB-O 3.26Å; K233-W250 WeakPolarHBondContact CB-O 3.11Å; K233-D251 HydrophobicContact CG-CB 4.35Å; K233-D251 IonicContact NZ-OD2 2.7Å
234	V	97.9	Very high	96.9	Very high	4 Å²	4	59.4 Å²	59.4	2%	0.024	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	126.1	177.1	-179.7	0	0	0	0	109.2	V200 I202 A226 I227 F228 T236 W250	V200-V234 HydrophobicContact CG1-CG1 4.12Å; I202-V234 HydrophobicContact CD1-CG2 3.87Å; I202-V234 HydrophobicContact CG1-CG2 4.36Å; A226-V234 HydrophobicContact CB-CG1 3.98Å; I227-V234 CarbonylContact O-C 3.55Å; I227-V234 WeakPolarHBondContact O-CA 3.32Å; F228-V234 HydrophobicContact CD1-CG2 3.97Å; F228-V234 HydrophobicContact CE1-CG2 3.86Å; V234-T236 HydrophobicContact CG1-CG2 4.06Å; V234-W250 HydrophobicContact CB-CB 4.44Å; V234-W250 PolarHBondContact N-O 3.22Å; V234-W250 PolarHBondContact O-N 2.8Å
235	F	98.3	Very high	97	Very high	65 Å²	65	69.7 Å²	69.7	29%	0.285	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	133.5	172	-179.6	-103.4	0	0	0	109.5	A226 I227 L229 T237 L247 A248	A226-F235 WeakPolarHBondContact CA-O 3.35Å; I227-F235 HydrophobicContact CD1-CD1 4.35Å; I227-F235 HydrophobicContact CG1-CB 4.04Å; I227-F235 HydrophobicContact CG1-CD1 4.32Å; I227-F235 PolarHBondContact N-O 2.95Å; I227-F235 PolarHBondContact O-N 2.7Å; L229-F235 HydrophobicContact CD1-CB 4.28Å; L229-F235 HydrophobicContact CD2-CB 3.83Å; L229-F235 HydrophobicContact CG-CB 4.07Å; F235-T237 HydrophobicContact CE1-CG2 3.94Å; F235-L247 HydrophobicContact CE1-CD2 4.34Å; F235-L247 HydrophobicContact CE2-CB 4.08Å; F235-L247 HydrophobicContact CZ-CB 3.91Å; F235-L247 HydrophobicContact CZ-CD1 4.2Å; F235-L247 HydrophobicContact CZ-CD2 3.87Å; F235-L247 HydrophobicContact CZ-CG 4.2Å; F235-A248 WeakPolarHBondContact CA-O 3.4Å; F235-A248 VanDerWaalsContact CD2-O 3.28Å; F235-A248 WeakPolarHBondContact CD2-O 3.45Å
236	T	98.5	Very high	97	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	147.8	-179.9	65	0	0	0	0	112.4	V200 H218 R225 A226 V234 L247 A248 W250	V200-T236 HydrophobicContact CG2-CG2 4.03Å; H218-T236 WeakPolarHBondContact NE2-CB 3.47Å; H218-T236 PolarHBondContact NE2-OG1 3.39Å; R225-T236 CarbonylContact O-C 3.6Å; R225-T236 WeakPolarHBondContact O-CA 3.31Å; R225-T236 VanDerWaalsContact O-CB 3.24Å; R225-T236 WeakPolarHBondContact O-CB 3.42Å; A226-T236 HydrophobicContact CB-CG2 3.91Å; V234-T236 HydrophobicContact CG1-CG2 4.06Å; T236-L247 WeakPolarHBondContact O-CA 3.2Å; T236-A248 PolarHBondContact N-O 3.17Å; T236-A248 PolarHBondContact O-N 2.92Å; T236-W250 PolarHBondContact OG1-NE1 3.35Å
237	T	98.4	Very high	97	Very high	54 Å²	54	76.2 Å²	76.2	33%	0.331	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	142.6	164.3	73.9	0	0	0	0	108.3	M224 R225 F235 Q246 L247	M224-T237 CarbonylContact C-O 3.47Å; M224-T237 WeakPolarHBondContact CA-O 3.27Å; M224-T237 WeakPolarHBondContact CB-O 3.23Å; R225-T237 PolarHBondContact N-O 3.28Å; R225-T237 PolarHBondContact O-N 3.28Å; F235-T237 HydrophobicContact CE1-CG2 3.94Å; T237-Q246 WeakPolarHBondContact CA-O 3.45Å; T237-L247 HydrophobicContact CG2-CD2 3.54Å
238	G	97.8	Very high	96.9	Very high	2 Å²	2	73.7 Å²	73.7	2%	0.021	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.2	-156.7	-179.2	0	0	0	0	0	111.5	R245 Q246	G238-R245 CarbonylContact O-C 3.49Å; G238-R245 WeakPolarHBondContact O-CA 3.45Å; G238-Q246 PolarHBondContact N-O 3.43Å; G238-Q246 PolarHBondContact O-N 3.33Å
239	F	97.9	Very high	96.8	Very high	42 Å²	42	77.2 Å²	77.2	18%	0.184	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	143.7	-173.6	-65.7	-97.3	0	0	0	112.3	H218 G220 R222 P223 E244 R245	H218-F239 WeakPolarHBondContact CB-O 3.28Å; G220-F239 VanDerWaalsContact CA-O 3.23Å; G220-F239 WeakPolarHBondContact CA-O 3.23Å; G220-F239 PolarHBondContact N-O 3.16Å; R222-F239 HydrophobicContact CB-CB 4.19Å; R222-F239 HydrophobicContact CB-CD1 4.28Å; R222-F239 HydrophobicContact CB-CD2 3.28Å; R222-F239 HydrophobicContact CB-CE2 3.59Å; R222-F239 HydrophobicContact CB-CG 3.67Å; R222-F239 HydrophobicContact CB-CZ 4.2Å; R222-F239 HydrophobicContact CG-CD2 4.31Å; R222-F239 HydrophobicContact CG-CE2 4.48Å; R222-F239 HydrophobicContact CG-CG 4.32Å; P223-F239 WeakPolarHBondContact O-CD2 3.46Å; P223-F239 WeakPolarHBondContact O-CE2 3.25Å; F239-E244 CarbonylContact C-O 3.51Å; F239-E244 WeakPolarHBondContact CA-O 3.29Å; F239-R245 HydrophobicContact CD1-CG 4.06Å; F239-R245 HydrophobicContact CE1-CG 3.5Å; F239-R245 VanDerWaalsContact CE1-CG 3.5Å; F239-R245 HydrophobicContact CZ-CG 4Å
240	S	96.9	Very high	96.7	Very high	10 Å²	10	76.6 Å²	76.6	7%	0.07	39%	0.39	C	S	.	.			trans	-70	168.4	168.2	79.7	0	0	0	0	110.7	G220 M242 S243 E244	G220-S240 VanDerWaalsContact CA-O 3.23Å; G220-S240 WeakPolarHBondContact CA-O 3.46Å; S240-M242 PolarHBondContact O-N 2.91Å; S240-M242 PolarHBondContact OG-N 2.95Å; S240-S243 PolarHBondContact O-N 3.26Å; S240-E244 PolarHBondContact N-O 2.99Å; S240-E244 WeakPolarHBondContact OG-CB 3.38Å; S240-E244 PolarHBondContact OG-N 3.12Å; S240-E244 VanDerWaalsContact OG-N 3.14Å; S240-E244 PolarHBondContact OG-OE2 2.84Å
241	R	96	Very high	96.6	Very high	203 Å²	203	75 Å²	75	77%	0.766	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-29.7	171.1	-173.6	175.8	178.6	178.5	-0.7	112.4	E219 S243	E219-R241 HydrophobicContact CB-CB 4.29Å; R241-S243 VanDerWaalsContact C-N 3.26Å; R241-S243 PolarHBondContact O-N 3.16Å
242	M	96.8	Very high	96.3	Very high	155 Å²	155	72.6 Å²	72.6	76%	0.764	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	13	177	-59.4	-56.6	-67.7	0	0	113.2	S240 E244	S240-M242 PolarHBondContact O-N 2.91Å; S240-M242 PolarHBondContact OG-N 2.95Å; M242-E244 VanDerWaalsContact C-N 3.28Å; M242-E244 PolarHBondContact O-N 3.09Å
243	S	96.1	Very high	95.6	Very high	66 Å²	66	74.3 Å²	74.3	46%	0.462	37%	0.374	S	S	.	.			trans	64.3	23.2	-179.7	-59.3	0	0	0	0	115.5	S240 R241	S240-S243 PolarHBondContact O-N 3.26Å; R241-S243 VanDerWaalsContact C-N 3.26Å; R241-S243 PolarHBondContact O-N 3.16Å
244	E	97.8	Very high	94.4	Very high	128 Å²	128	75.5 Å²	75.5	60%	0.598	39%	0.386	S	S	*	.			trans	-80.1	137.7	171.3	-59.8	168.5	137.4	0	0	110	F239 S240 M242 Q246	F239-E244 CarbonylContact C-O 3.51Å; F239-E244 WeakPolarHBondContact CA-O 3.29Å; S240-E244 PolarHBondContact N-O 2.99Å; S240-E244 WeakPolarHBondContact OG-CB 3.38Å; S240-E244 PolarHBondContact OG-N 3.12Å; S240-E244 VanDerWaalsContact OG-N 3.14Å; S240-E244 PolarHBondContact OG-OE2 2.84Å; M242-E244 VanDerWaalsContact C-N 3.28Å; M242-E244 PolarHBondContact O-N 3.09Å; E244-Q246 PolarHBondContact O-N 2.81Å
245	R	98	Very high	92.2	Very high	220 Å²	220	87.3 Å²	87.3	83%	0.83	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.2	133.2	174.8	-69.4	-174.3	-64.1	178.3	-0.2	110.3	G238 F239	G238-R245 CarbonylContact O-C 3.49Å; G238-R245 WeakPolarHBondContact O-CA 3.45Å; F239-R245 HydrophobicContact CD1-CG 4.06Å; F239-R245 HydrophobicContact CE1-CG 3.5Å; F239-R245 VanDerWaalsContact CE1-CG 3.5Å; F239-R245 HydrophobicContact CZ-CG 4Å
246	Q	97.6	Very high	89.4	Confident	73 Å²	73	94.3 Å²	94.3	34%	0.341	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	149.3	-178.9	-67.8	-178.4	-34.9	0	0	110.7	H218 T237 G238 E244	H218-Q246 PolarHBondContact ND1-OE1 3.31Å; H218-Q246 VanDerWaalsContact ND1-OE1 3.16Å; T237-Q246 WeakPolarHBondContact CA-O 3.45Å; G238-Q246 PolarHBondContact N-O 3.43Å; G238-Q246 PolarHBondContact O-N 3.33Å; E244-Q246 PolarHBondContact O-N 2.81Å
247	L	98.1	Very high	86.4	Confident	126 Å²	126	101.1 Å²	101.1	66%	0.66	48%	0.484	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.3	137	169.1	-54.5	176.9	0	0	0	107.3	F235 T236 T237	F235-L247 HydrophobicContact CE1-CD2 4.34Å; F235-L247 HydrophobicContact CE2-CB 4.08Å; F235-L247 HydrophobicContact CZ-CB 3.91Å; F235-L247 HydrophobicContact CZ-CD1 4.2Å; F235-L247 HydrophobicContact CZ-CD2 3.87Å; F235-L247 HydrophobicContact CZ-CG 4.2Å; T236-L247 WeakPolarHBondContact O-CA 3.2Å; T237-L247 HydrophobicContact CG2-CD2 3.54Å
248	A	96.8	Very high	83.1	Confident	23 Å²	23	104.8 Å²	104.8	19%	0.19	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	153.6	176.5	0	0	0	0	0	111.5	F235 T236 W250	F235-A248 WeakPolarHBondContact CA-O 3.4Å; F235-A248 VanDerWaalsContact CD2-O 3.28Å; F235-A248 WeakPolarHBondContact CD2-O 3.45Å; T236-A248 PolarHBondContact N-O 3.17Å; T236-A248 PolarHBondContact O-N 2.92Å; A248-W250 HydrophobicContact CB-CH2 4.27Å; A248-W250 HydrophobicContact CB-CZ2 3.44Å; A248-W250 VanDerWaalsContact CB-CZ2 3.44Å
249	L	96.9	Very high	79.9	Confident	99 Å²	99	111.7 Å²	111.7	52%	0.518	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	128.1	177.4	178.5	63.6	0	0	0	108.7	L229 K233	L229-L249 HydrophobicContact CD1-CD1 3.41Å; L229-L249 VanDerWaalsContact CD1-CD1 3.41Å; L229-L249 HydrophobicContact CG-CD1 4.4Å; K233-L249 HydrophobicContact CB-CD1 3.83Å; K233-L249 HydrophobicContact CD-CD1 4.17Å; K233-L249 HydrophobicContact CD-CD2 4.22Å; K233-L249 HydrophobicContact CD-CG 4.24Å
250	W	93.6	Very high	76.7	Confident	50 Å²	50	117.8 Å²	117.8	19%	0.189	60%	0.604	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.9	136.2	-174	-48.3	98.5	0	0	0	110.7	R214 A217 K233 V234 T236 A248	R214-W250 HydrophobicContact CG-CD2 4.35Å; R214-W250 HydrophobicContact CG-CE3 4.33Å; R214-W250 VanDerWaalsContact CZ-CZ3 3.42Å; R214-W250 VanDerWaalsContact NH2-CZ3 3.28Å; A217-W250 HydrophobicContact CB-CZ2 4.44Å; A217-W250 WeakPolarHBondContact O-CZ2 3.26Å; K233-W250 CarbonylContact C-O 3.57Å; K233-W250 VanDerWaalsContact CA-O 3.31Å; K233-W250 WeakPolarHBondContact CA-O 3.16Å; K233-W250 VanDerWaalsContact CB-O 3.26Å; K233-W250 WeakPolarHBondContact CB-O 3.11Å; V234-W250 HydrophobicContact CB-CB 4.44Å; V234-W250 PolarHBondContact N-O 3.22Å; V234-W250 PolarHBondContact O-N 2.8Å; T236-W250 PolarHBondContact OG1-NE1 3.35Å; A248-W250 HydrophobicContact CB-CH2 4.27Å; A248-W250 HydrophobicContact CB-CZ2 3.44Å; A248-W250 VanDerWaalsContact CB-CZ2 3.44Å
251	D	93.1	Very high	75.7	Confident	69 Å²	69	123.2 Å²	123.2	37%	0.369	63%	0.631	S	S	.	*			trans	-100.8	109.7	168.4	-166.6	-36.1	0	0	0	109.4	K233 G253 V254	K233-D251 HydrophobicContact CG-CB 4.35Å; K233-D251 IonicContact NZ-OD2 2.7Å; D251-G253 PolarHBondContact O-N 3.44Å; D251-G253 PolarHBondContact OD1-N 3.43Å; D251-V254 HydrophobicContact CB-CB 4.28Å; D251-V254 HydrophobicContact CB-CG2 3.96Å; D251-V254 PolarHBondContact O-N 2.72Å
252	P	86.2	Confident	74.6	Confident	49 Å²	49	118.9 Å²	118.9	32%	0.318	62%	0.624	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.4	-16.7	-177.9	29.4	-34.2	0	0	0	113.9	I202 A212 G232 V254	I202-P252 HydrophobicContact CD1-CB 3.21Å; I202-P252 HydrophobicContact CD1-CG 3.58Å; A212-P252 HydrophobicContact CB-CB 4.3Å; G232-P252 WeakPolarHBondContact O-CG 3.5Å; P252-V254 VanDerWaalsContact C-N 3.3Å
253	G	78.4	Confident	73.4	Confident	66 Å²	66	116.9 Å²	116.9	68%	0.68	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	-19.5	175.2	0	0	0	0	0	112.9	D251	D251-G253 PolarHBondContact O-N 3.44Å; D251-G253 PolarHBondContact OD1-N 3.43Å
254	V	70.8	Confident	72.1	Confident	82 Å²	82	119.9 Å²	119.9	50%	0.497	63%	0.625	S	S	.	*			trans	-97.2	104.1	-175.9	-176.1	0	0	0	0	109.9	D251 P252 R256	D251-V254 HydrophobicContact CB-CB 4.28Å; D251-V254 HydrophobicContact CB-CG2 3.96Å; D251-V254 PolarHBondContact O-N 2.72Å; P252-V254 VanDerWaalsContact C-N 3.3Å; V254-R256 VanDerWaalsContact CG1-O 3.23Å; V254-R256 WeakPolarHBondContact CG1-O 3.5Å; V254-R256 PolarHBondContact O-N 2.85Å
255	R	51.3	Low	70.5	Confident	251 Å²	251	119.4 Å²	119.4	95%	0.947	63%	0.627	S	S	*	*	S	Bend	trans	-65.9	-5.3	-179.9	-70.7	-175.4	175.5	-171.5	-2.2	114.8
256	R	40.8	Very low	68.6	Low	213 Å²	213	112.7 Å²	112.7	80%	0.804	61%	0.613	S	S	*	*	S	Bend	trans	-152.5	121.3	175.2	-77.1	-170	174.2	171.7	-2.8	113.8	V254	V254-R256 VanDerWaalsContact CG1-O 3.23Å; V254-R256 WeakPolarHBondContact CG1-O 3.5Å; V254-R256 PolarHBondContact O-N 2.85Å
257	F	35.5	Very low	66.6	Low	143 Å²	143	115.6 Å²	115.6	63%	0.627	63%	0.632	S	S	*	*			trans	21.9	128.6	158.2	-59.9	-87.1	0	0	0	121.6
258	C	28.3	Very low	64.2	Low	130 Å²	130	114.8 Å²	114.8	88%	0.878	63%	0.63	S	S	*	*				-135.5	114.4	120.2	-98.9	0	0	0	0	108.5	A260	C258-A260 PolarHBondContact O-N 2.87Å
259	L	30.6	Very low	61.4	Low	147 Å²	147	122.4 Å²	122.4	77%	0.77	67%	0.667	S	S	*	*			trans	-68.9	119.9	152.7	-76.9	158.8	0	0	0	105.3
260	A	31.7	Very low	58.2	Low	170 Å²	170	124.5 Å²	124.5	100%	1.405	68%	0.68	S	S	*	*			trans	-90.2	0	162	0	0	0	0	0	108.6	C258	C258-A260 PolarHBondContact O-N 2.87Å

Retrieved 260 of 260 residues in 204.7 ms (Link to these results)

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