PITH1_HUMAN Loading...

PITH domain-containing protein 1

Promotes megakaryocyte differentiation by up-regulating RUNX1 expression¹. Regulates RUNX1 expression by activating the proximal promoter of the RUNX1 gene and by enhancing the translation activity of an internal ribosome entry site (IRES) element in the RUNX1 gene².

AlphaFold DB , UniProt , Accession Q9GZP4, Species HUMAN (Homo sapiens, Human), Gene PITHD1, Length 211 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.6	Very low	39.4	Very low	237 Å²	237	124.5 Å²	124.5	100%	1.167	83%	0.829	S	S	*	*				0	111.9	0	-70.6	173.3	173.9	0	0	107
2	S	38.1	Very low	38.7	Very low	122 Å²	122	124.3 Å²	124.3	85%	0.853	83%	0.828	S	S	*	*			trans	-82.7	124.9	-179.6	179.7	0	0	0	0	108.7
3	H	42.3	Very low	38.8	Very low	169 Å²	169	133.2 Å²	133.2	78%	0.782	83%	0.834	S	S	*	*			trans	-119.3	108.5	170.5	-84.1	8.7	0	0	0	107.7
4	G	34.9	Very low	38.8	Very low	63 Å²	63	131.6 Å²	131.6	65%	0.649	83%	0.828	S	S	*	*			trans	-85.4	138.3	167.5	0	0	0	0	0	109.8
5	H	46.6	Very low	39	Very low	171 Å²	171	128.7 Å²	128.7	79%	0.792	82%	0.822	S	S	*	*			trans	-131.6	110.2	159.5	-79.1	-33.3	0	0	0	109.1
6	S	39.6	Very low	39.3	Very low	117 Å²	117	126 Å²	126	82%	0.818	81%	0.814	S	S	*	*			trans	-85.3	125.5	167.5	176.3	0	0	0	0	107.7
7	H	45.1	Very low	39.8	Very low	177 Å²	177	128 Å²	128	82%	0.819	81%	0.81	S	S	*	*			trans	-121.5	120.1	165.7	-85.7	-67.7	0	0	0	109.3
8	G	38.4	Very low	40.3	Very low	79 Å²	79	133.8 Å²	133.8	81%	0.814	81%	0.814	S	S	*	*			trans	-62.6	142.1	-172	0	0	0	0	0	114.1
9	G	34.6	Very low	41	Very low	81 Å²	81	136.2 Å²	136.2	84%	0.835	82%	0.815	S	S	*	*			trans	-93.6	162.7	169.6	0	0	0	0	0	112.6
10	G	35.6	Very low	41.9	Very low	80 Å²	80	134.5 Å²	134.5	83%	0.825	80%	0.799	S	S	*	*			trans	87.2	84.5	164.8	0	0	0	0	0	112.9
11	G	38.1	Very low	42.7	Very low	74 Å²	74	130.9 Å²	130.9	76%	0.763	78%	0.779	S	S	*	*			cis	86	34.8	45.5	0	0	0	0	0	112.3	R13	G11-R13 PolarHBondContact O-N 3.31Å
12	C	31.9	Very low	43.8	Very low	121 Å²	121	124.5 Å²	124.5	82%	0.818	76%	0.755	S	S	*	*			trans	-71.8	83.1	160.8	-83.9	0	0	0	0	109	C14	C12-C14 PolarHBondContact O-N 3.2Å
13	R	39	Very low	44.9	Very low	240 Å²	240	127.4 Å²	127.4	91%	0.906	76%	0.755	S	S	*	*			trans	-74.8	82.3	160.9	-73.1	-177.1	179.1	178.5	0	106.9	G11 A15	G11-R13 PolarHBondContact O-N 3.31Å; R13-A15 PolarHBondContact O-N 3.4Å
14	C	40	Very low	46.2	Very low	111 Å²	111	123.6 Å²	123.6	75%	0.75	74%	0.738	S	S	*	*			trans	-56.9	100.5	152.8	-41.8	0	0	0	0	103.9	C12 A16	C12-C14 PolarHBondContact O-N 3.2Å; C14-A16 PolarHBondContact O-N 3.38Å
15	A	41.7	Very low	48.1	Very low	89 Å²	89	124.1 Å²	124.1	74%	0.736	72%	0.72	S	S	*	*			trans	-63.3	83.2	161.8	0	0	0	0	0	104.3	R13 E17	R13-A15 PolarHBondContact O-N 3.4Å; A15-E17 PolarHBondContact O-N 3.29Å
16	A	43.6	Very low	49.4	Very low	85 Å²	85	116.8 Å²	116.8	70%	0.702	69%	0.691	S	S	*	*			trans	-53.4	105.4	159.5	0	0	0	0	0	103.1	C14 R18	C14-A16 PolarHBondContact O-N 3.38Å; A16-R18 VanDerWaalsContact C-N 3.27Å; A16-R18 PolarHBondContact O-N 3.04Å
17	E	46.7	Very low	51.1	Low	160 Å²	160	118.1 Å²	118.1	75%	0.748	69%	0.688	S	S	*	*			trans	-50.2	105.1	169.3	-62	-173.8	162.2	0	0	103.9	A15 E19	A15-E17 PolarHBondContact O-N 3.29Å; E17-E19 PolarHBondContact O-N 2.88Å
18	R	49.3	Very low	52.8	Low	233 Å²	233	110.6 Å²	110.6	88%	0.879	66%	0.656	S	S	*	*			trans	-56.5	113.2	177.1	-97.8	-179.4	167	-176.5	-5	104.3	A16 E20	A16-R18 VanDerWaalsContact C-N 3.27Å; A16-R18 PolarHBondContact O-N 3.04Å; R18-E20 PolarHBondContact O-N 3.22Å
19	E	53.9	Low	54.9	Low	179 Å²	179	107 Å²	107	84%	0.836	62%	0.618	S	S	*	*			trans	-53.5	114.9	165.2	-84.2	-170.5	142.5	0	0	106.3	E17	E17-E19 PolarHBondContact O-N 2.88Å
20	E	59	Low	57.4	Low	102 Å²	102	104.2 Å²	104.2	48%	0.477	59%	0.589	S	S	.	*			trans	-64.8	140.1	178.6	-69.6	-159.4	167.7	0	0	108.6	R18 Q24	R18-E20 PolarHBondContact O-N 3.22Å; E20-Q24 HydrophobicContact CB-CB 4.36Å
21	P	58.8	Low	60	Low	59 Å²	59	100.7 Å²	100.7	38%	0.383	55%	0.551	S	S	.	*			trans	-52	146.4	176.7	-22.7	31.1	0	0	0	110.6	E23 Q24	P21-E23 PolarHBondContact O-N 2.94Å; P21-Q24 PolarHBondContact O-N 3.24Å
22	P	62.3	Low	62.6	Low	103 Å²	103	100 Å²	100	67%	0.669	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-50.2	-33.8	179.9	-27.7	33.8	0	0	0	113.6	Q24 R25	P22-Q24 VanDerWaalsContact C-N 3.28Å; P22-Q24 PolarHBondContact O-N 3.15Å; P22-R25 WeakPolarHBondContact O-CB 3.5Å; P22-R25 PolarHBondContact O-N 3.25Å
23	E	62.4	Low	65.6	Low	182 Å²	182	99.4 Å²	99.4	85%	0.85	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-62.9	-28.2	178.3	-60.3	171.8	-169.9	0	0	113.6	P21	P21-E23 PolarHBondContact O-N 2.94Å
24	Q	69.6	Low	68.2	Low	90 Å²	90	92.8 Å²	92.8	42%	0.421	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-91.4	-10	-179.3	-66.9	179.6	23.7	0	0	112.9	E20 P21 P22 G26 L27 A28	E20-Q24 HydrophobicContact CB-CB 4.36Å; P21-Q24 PolarHBondContact O-N 3.24Å; P22-Q24 VanDerWaalsContact C-N 3.28Å; P22-Q24 PolarHBondContact O-N 3.15Å; Q24-G26 PolarHBondContact O-N 3.03Å; Q24-L27 WeakPolarHBondContact O-CB 3.35Å; Q24-L27 PolarHBondContact O-N 3.39Å; Q24-A28 PolarHBondContact O-N 3.09Å; Q24-A28 VanDerWaalsContact O-N 3.14Å
25	R	73.5	Confident	70.9	Confident	74 Å²	74	88 Å²	88	28%	0.279	46%	0.456	S	S	.	.	H	α-helix	trans	-57.1	-36.1	178.9	-70.8	-172	172.7	-168.1	-2.3	112.3	P22 L27 A28 Y29 W58	P22-R25 WeakPolarHBondContact O-CB 3.5Å; P22-R25 PolarHBondContact O-N 3.25Å; R25-L27 VanDerWaalsContact C-N 3.27Å; R25-L27 PolarHBondContact O-N 3.09Å; R25-A28 WeakPolarHBondContact O-CB 3.25Å; R25-A28 PolarHBondContact O-N 3.12Å; R25-A28 VanDerWaalsContact O-N 3.08Å; R25-Y29 HydrophobicContact CB-CD2 4.45Å; R25-Y29 VanDerWaalsContact O-CD2 3.28Å; R25-Y29 WeakPolarHBondContact O-CD2 3.5Å; R25-Y29 PolarHBondContact O-N 3.24Å; R25-W58 HydrophobicContact CB-CD2 4.25Å; R25-W58 HydrophobicContact CB-CH2 4.47Å; R25-W58 HydrophobicContact CB-CZ2 3.82Å; R25-W58 HydrophobicContact CG-CZ2 4.33Å
26	G	74.3	Confident	73.4	Confident	17 Å²	17	85.3 Å²	85.3	18%	0.175	43%	0.429	C	S	.	.	H	α-helix	trans	-56.7	-39.8	176.2	0	0	0	0	0	113.4	Q24	Q24-G26 PolarHBondContact O-N 3.03Å
27	L	76	Confident	75.9	Confident	145 Å²	145	84.1 Å²	84.1	76%	0.759	41%	0.411	S	S	*	.	H	α-helix	trans	-71.5	-39.9	175.2	-65.8	171.3	0	0	0	111.7	Q24 R25 Y29 G30	Q24-L27 WeakPolarHBondContact O-CB 3.35Å; Q24-L27 PolarHBondContact O-N 3.39Å; R25-L27 VanDerWaalsContact C-N 3.27Å; R25-L27 PolarHBondContact O-N 3.09Å; L27-Y29 VanDerWaalsContact C-N 3.28Å; L27-Y29 PolarHBondContact O-N 2.8Å; L27-G30 PolarHBondContact O-N 2.74Å
28	A	79.8	Confident	78.1	Confident	19 Å²	19	84.5 Å²	84.5	16%	0.157	41%	0.413	C	S	.	.	H	α-helix	trans	-61.8	-36.3	179.6	0	0	0	0	0	112.4	Q24 R25 G30 R173	Q24-A28 PolarHBondContact O-N 3.09Å; Q24-A28 VanDerWaalsContact O-N 3.14Å; R25-A28 WeakPolarHBondContact O-CB 3.25Å; R25-A28 PolarHBondContact O-N 3.12Å; R25-A28 VanDerWaalsContact O-N 3.08Å; A28-G30 VanDerWaalsContact C-N 3.33Å; A28-R173 HydrophobicContact CB-CG 4.05Å; A28-R173 WeakPolarHBondContact O-CA 3.04Å; A28-R173 WeakPolarHBondContact O-CG 3.48Å
29	Y	83.6	Confident	80.3	Confident	4 Å²	4	82 Å²	82	2%	0.016	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	17.1	178.7	-72.4	-81.2	0	0	0	114.1	R25 L27 L31 W58 I92 E138 R173	R25-Y29 HydrophobicContact CB-CD2 4.45Å; R25-Y29 VanDerWaalsContact O-CD2 3.28Å; R25-Y29 WeakPolarHBondContact O-CD2 3.5Å; R25-Y29 PolarHBondContact O-N 3.24Å; L27-Y29 VanDerWaalsContact C-N 3.28Å; L27-Y29 PolarHBondContact O-N 2.8Å; Y29-L31 PolarHBondContact O-N 2.7Å; Y29-L31 VanDerWaalsContact O-N 3.07Å; Y29-W58 HydrophobicContact CD2-CD2 4.22Å; Y29-W58 AromaticContact CD2-CE3 3.52Å; Y29-W58 HydrophobicContact CD2-CE3 3.52Å; Y29-W58 HydrophobicContact CD2-CH2 4.48Å; Y29-W58 AromaticContact CD2-CZ3 3.68Å; Y29-W58 HydrophobicContact CD2-CZ3 3.68Å; Y29-W58 HydrophobicContact CE2-CE3 4.16Å; Y29-W58 HydrophobicContact CE2-CH2 4.39Å; Y29-W58 AromaticContact CE2-CZ3 3.83Å; Y29-W58 HydrophobicContact CE2-CZ3 3.83Å; Y29-W58 AromaticContact CG-CE3 3.78Å; Y29-W58 HydrophobicContact CG-CE3 3.78Å; Y29-W58 HydrophobicContact CG-CZ3 4.18Å; Y29-I92 HydrophobicContact CE1-CB 4.28Å; Y29-I92 HydrophobicContact CE1-CD1 3.74Å; Y29-I92 HydrophobicContact CE1-CG1 3.94Å; Y29-I92 HydrophobicContact CE2-CD1 3.85Å; Y29-I92 WeakPolarHBondContact OH-CD1 3.37Å; Y29-I92 WeakPolarHBondContact OH-CG1 3.4Å; Y29-E138 VanDerWaalsContact OH-CG 3.29Å; Y29-E138 WeakPolarHBondContact OH-CG 3.42Å; Y29-E138 PolarHBondContact OH-OE2 2.78Å; Y29-R173 HydrophobicContact CD1-CB 4.09Å; Y29-R173 HydrophobicContact CE1-CB 3.69Å
30	G	85.6	Confident	82.4	Confident	22 Å²	22	74 Å²	74	23%	0.227	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-68.8	-1.4	-179.6	0	0	0	0	0	115.6	L27 A28 Y32 L33	L27-G30 PolarHBondContact O-N 2.74Å; A28-G30 VanDerWaalsContact C-N 3.33Å; G30-Y32 PolarHBondContact O-N 2.96Å; G30-L33 WeakPolarHBondContact O-CB 3.49Å; G30-L33 PolarHBondContact O-N 2.86Å
31	L	91.2	Very high	84.2	Confident	5 Å²	5	73.8 Å²	73.8	3%	0.026	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-63.8	-19.3	179.7	-70.4	-177.8	0	0	0	113.3	Y29 L33 R34 I35 V86 L88 L172 W176	Y29-L31 PolarHBondContact O-N 2.7Å; Y29-L31 VanDerWaalsContact O-N 3.07Å; L31-L33 PolarHBondContact O-N 2.69Å; L31-R34 WeakPolarHBondContact O-CA 3.49Å; L31-R34 WeakPolarHBondContact O-CB 3.44Å; L31-R34 PolarHBondContact O-N 2.85Å; L31-I35 PolarHBondContact O-N 2.8Å; L31-V86 HydrophobicContact CD1-CG1 3.61Å; L31-V86 HydrophobicContact CD2-CG1 4.11Å; L31-V86 HydrophobicContact CD2-CG2 4.26Å; L31-L88 HydrophobicContact CD1-CD1 4.15Å; L31-L172 HydrophobicContact CB-CB 3.99Å; L31-L172 WeakPolarHBondContact CB-O 3.21Å; L31-L172 HydrophobicContact CD1-CB 3.98Å; L31-W176 HydrophobicContact CD2-CB 4.01Å
32	Y	93.2	Very high	86.1	Confident	61 Å²	61	71.5 Å²	71.5	24%	0.239	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-56.3	-35.1	175.2	88.6	-89.7	0	0	0	111.9	G30 R34 I35 P57	G30-Y32 PolarHBondContact O-N 2.96Å; Y32-R34 PolarHBondContact O-N 3.17Å; Y32-R34 VanDerWaalsContact O-N 3.13Å; Y32-I35 PolarHBondContact O-N 2.88Å; Y32-P57 HydrophobicContact CE1-CB 3.95Å; Y32-P57 HydrophobicContact CE1-CG 4.15Å; Y32-P57 HydrophobicContact CE2-CG 3.98Å; Y32-P57 WeakPolarHBondContact OH-CG 3.18Å
33	L	93.2	Very high	87.8	Confident	107 Å²	107	69.2 Å²	69.2	56%	0.56	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-65.7	-13.1	175.8	-69.9	171.6	0	0	0	113.5	G30 L31	G30-L33 WeakPolarHBondContact O-CB 3.49Å; G30-L33 PolarHBondContact O-N 2.86Å; L31-L33 PolarHBondContact O-N 2.69Å
34	R	94.5	Very high	89.5	Confident	102 Å²	102	62.1 Å²	62.1	39%	0.385	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-106.2	-1.4	-176.9	-51.7	-57.3	179.4	-167.6	0.2	112.4	L31 Y32 F82 T83 W176	L31-R34 WeakPolarHBondContact O-CA 3.49Å; L31-R34 WeakPolarHBondContact O-CB 3.44Å; L31-R34 PolarHBondContact O-N 2.85Å; Y32-R34 PolarHBondContact O-N 3.17Å; Y32-R34 VanDerWaalsContact O-N 3.13Å; R34-F82 WeakPolarHBondContact O-CA 3.11Å; R34-T83 WeakPolarHBondContact CA-OG1 3.49Å; R34-T83 PolarHBondContact O-N 2.81Å; R34-T83 PolarHBondContact O-OG1 2.79Å; R34-W176 HydrophobicContact CB-CG 4.13Å; R34-W176 HydrophobicContact CG-CB 3.95Å; R34-W176 HydrophobicContact CG-CD2 4.26Å; R34-W176 HydrophobicContact CG-CG 3.7Å
35	I	95.8	Very high	90.8	Very high	11 Å²	11	59.5 Å²	59.5	6%	0.056	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-79.6	130.8	172.3	-60.5	174.1	0	0	0	108.4	L31 Y32 L37 L40 F55 I80 F82 L172	L31-I35 PolarHBondContact O-N 2.8Å; Y32-I35 PolarHBondContact O-N 2.88Å; I35-L37 HydrophobicContact CB-CD2 4.32Å; I35-L37 HydrophobicContact CG2-CD2 3.82Å; I35-L37 HydrophobicContact CG2-CG 4.25Å; I35-L37 PolarHBondContact O-N 2.89Å; I35-L40 HydrophobicContact CG2-CD1 3.79Å; I35-F55 HydrophobicContact CD1-CB 4.09Å; I35-F55 HydrophobicContact CD1-CD1 3.53Å; I35-F55 HydrophobicContact CD1-CE1 4.19Å; I35-F55 HydrophobicContact CD1-CG 3.93Å; I35-I80 HydrophobicContact CB-CG2 4.35Å; I35-I80 HydrophobicContact CD1-CG2 3.95Å; I35-I80 HydrophobicContact CG1-CG2 3.85Å; I35-I80 HydrophobicContact CG2-CG2 3.64Å; I35-F82 HydrophobicContact CG1-CD1 4Å; I35-F82 HydrophobicContact CG1-CE1 3.73Å; I35-L172 HydrophobicContact CD1-CD1 4.05Å
36	D	95.7	Very high	92	Very high	31 Å²	31	58.8 Å²	58.8	17%	0.166	29%	0.294	C	S	.	.			trans	-76.9	82	167.5	-177.9	-10.6	0	0	0	108.1	E38 R39 L40 P81 T83	D36-E38 PolarHBondContact O-N 3.19Å; D36-E38 PolarHBondContact OD1-N 2.98Å; D36-R39 PolarHBondContact O-N 3.15Å; D36-R39 VanDerWaalsContact O-N 3.12Å; D36-R39 PolarHBondContact OD1-N 3.41Å; D36-R39 WeakPolarHBondContact OD2-CD 3.37Å; D36-R39 IonicContact OD2-CZ 3.56Å; D36-R39 IonicContact OD2-NE 2.79Å; D36-R39 IonicContact OD2-NH1 2.98Å; D36-R39 PolarHBondContact OD2-NH1 3.19Å; D36-L40 PolarHBondContact O-N 2.75Å; D36-P81 HydrophobicContact CB-CB 4.34Å; D36-P81 HydrophobicContact CB-CG 4.08Å; D36-P81 PolarHBondContact N-O 3.22Å; D36-T83 HydrophobicContact CB-CG2 4.34Å
37	L	94.9	Very high	93.1	Very high	60 Å²	60	64.3 Å²	64.3	31%	0.314	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-28.5	-175.3	-71.3	174.4	0	0	0	112.2	I35 R39 L40 R52 F55	I35-L37 HydrophobicContact CB-CD2 4.32Å; I35-L37 HydrophobicContact CG2-CD2 3.82Å; I35-L37 HydrophobicContact CG2-CG 4.25Å; I35-L37 PolarHBondContact O-N 2.89Å; L37-R39 VanDerWaalsContact C-N 3.3Å; L37-L40 HydrophobicContact CD2-CD1 4.31Å; L37-L40 PolarHBondContact O-N 3.3Å; L37-R52 PolarHBondContact O-NE 2.89Å; L37-R52 PolarHBondContact O-NH2 3.09Å; L37-F55 HydrophobicContact CD2-CB 4.12Å
38	E	94.2	Very high	94	Very high	169 Å²	169	66.2 Å²	66.2	79%	0.79	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-32.5	179	-66.3	-176	175.3	0	0	112.4	D36	D36-E38 PolarHBondContact O-N 3.19Å; D36-E38 PolarHBondContact OD1-N 2.98Å
39	R	95.5	Very high	94.7	Very high	181 Å²	181	66.8 Å²	66.8	68%	0.683	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-4.1	178.2	-62	-171.6	-174.6	139.4	-9.2	113.8	D36 L37 Q41 P81	D36-R39 PolarHBondContact O-N 3.15Å; D36-R39 VanDerWaalsContact O-N 3.12Å; D36-R39 PolarHBondContact OD1-N 3.41Å; D36-R39 WeakPolarHBondContact OD2-CD 3.37Å; D36-R39 IonicContact OD2-CZ 3.56Å; D36-R39 IonicContact OD2-NE 2.79Å; D36-R39 IonicContact OD2-NH1 2.98Å; D36-R39 PolarHBondContact OD2-NH1 3.19Å; L37-R39 VanDerWaalsContact C-N 3.3Å; R39-Q41 PolarHBondContact O-N 3.45Å; R39-P81 HydrophobicContact CB-CG 3.73Å
40	L	97.3	Very high	95.3	Very high	9 Å²	9	67 Å²	67	5%	0.047	32%	0.324	C	S	.	.			trans	-62.7	130.3	173.3	-173.8	152	0	0	0	109.5	I35 D36 L37 R52 F55 N79 I80	I35-L40 HydrophobicContact CG2-CD1 3.79Å; D36-L40 PolarHBondContact O-N 2.75Å; L37-L40 HydrophobicContact CD2-CD1 4.31Å; L37-L40 PolarHBondContact O-N 3.3Å; L40-R52 HydrophobicContact CB-CG 4.38Å; L40-R52 HydrophobicContact CD2-CB 4.44Å; L40-R52 HydrophobicContact CD2-CG 3.7Å; L40-F55 HydrophobicContact CD1-CD2 3.66Å; L40-F55 HydrophobicContact CD1-CE2 3.63Å; L40-F55 HydrophobicContact CD1-CG 4.39Å; L40-F55 HydrophobicContact CD1-CZ 4.33Å; L40-F55 HydrophobicContact CD2-CE2 4.46Å; L40-N79 WeakPolarHBondContact CA-O 3.23Å; L40-I80 HydrophobicContact CD1-CB 4.44Å; L40-I80 HydrophobicContact CD1-CG1 4.06Å; L40-I80 HydrophobicContact CD1-CG2 4.17Å
41	Q	97.5	Very high	95.9	Very high	98 Å²	98	65.9 Å²	65.9	46%	0.458	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	137.8	175.4	-63.3	-178.5	-46.7	0	0	109.5	R39 F78 N79	R39-Q41 PolarHBondContact O-N 3.45Å; Q41-F78 CarbonylContact O-C 3.59Å; Q41-F78 WeakPolarHBondContact O-CA 3.17Å; Q41-N79 HydrophobicContact CB-CB 4.3Å; Q41-N79 PolarHBondContact N-O 3.45Å; Q41-N79 VanDerWaalsContact N-O 3.12Å; Q41-N79 PolarHBondContact O-N 3.46Å
42	C	97.9	Very high	96.1	Very high	11 Å²	11	70.3 Å²	70.3	7%	0.074	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124.1	170.1	-174	0	0	0	0	107.6	E45 L77 F78	C42-E45 HydrophobicContact CB-CG 4.3Å; C42-L77 CarbonylContact C-O 3.52Å; C42-L77 WeakPolarHBondContact CA-O 3.42Å; C42-F78 HydrophobicContact CB-CD1 4.1Å; C42-F78 HydrophobicContact CB-CE1 4.31Å; C42-F78 WeakPolarHBondContact SG-CE1 3.29Å
43	L	98.1	Very high	96.2	Very high	56 Å²	56	68.5 Å²	68.5	29%	0.293	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	149.8	176	-52.1	-172.9	0	0	0	110.1	E45 L77 F116	L43-E45 PolarHBondContact O-N 3.08Å; L43-L77 HydrophobicContact CB-CB 4.23Å; L43-L77 HydrophobicContact CD1-CD2 4.1Å; L43-L77 PolarHBondContact N-O 3.12Å; L43-L77 PolarHBondContact O-N 2.9Å; L43-F116 HydrophobicContact CB-CE2 3.63Å; L43-F116 HydrophobicContact CB-CZ 3.83Å; L43-F116 HydrophobicContact CD1-CD2 4.47Å; L43-F116 HydrophobicContact CD1-CE2 4.25Å
44	N	97.9	Very high	96.4	Very high	33 Å²	33	63.4 Å²	63.4	18%	0.176	30%	0.303	C	S	.	.	S	Bend	trans	61.3	23.9	-175.2	-159.8	36.1	0	0	0	114.2	S70 D71 A72 D73 E75 L76 F116	N44-S70 CarbonylContact O-C 3.57Å; N44-S70 WeakPolarHBondContact O-CA 3.46Å; N44-D71 PolarHBondContact O-N 2.6Å; N44-A72 PolarHBondContact OD1-N 2.79Å; N44-A72 VanDerWaalsContact OD1-N 3.1Å; N44-D73 PolarHBondContact ND2-O 3.29Å; N44-D73 PolarHBondContact ND2-OD1 2.77Å; N44-E75 WeakPolarHBondContact CB-O 3.24Å; N44-E75 PolarHBondContact ND2-O 2.68Å; N44-L76 WeakPolarHBondContact O-CD2 3.09Å; N44-F116 HydrophobicContact CB-CE2 4.05Å; N44-F116 HydrophobicContact CB-CZ 3.67Å
45	E	97.8	Very high	96.5	Very high	34 Å²	34	58.9 Å²	58.9	16%	0.159	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-78.4	129.2	169.9	60	178.5	165.6	0	0	111.3	C42 L43 R47 G49 S50 G51 V68	C42-E45 HydrophobicContact CB-CG 4.3Å; L43-E45 PolarHBondContact O-N 3.08Å; E45-R47 VanDerWaalsContact CD-O 3.32Å; E45-R47 PolarHBondContact O-N 2.86Å; E45-R47 VanDerWaalsContact OE2-O 3.06Å; E45-G49 VanDerWaalsContact CD-N 3.29Å; E45-G49 PolarHBondContact OE1-N 2.91Å; E45-G49 PolarHBondContact OE2-N 2.87Å; E45-S50 WeakPolarHBondContact OE2-CA 3.39Å; E45-S50 PolarHBondContact OE2-N 3.35Å; E45-S50 PolarHBondContact OE2-OG 3.46Å; E45-G51 PolarHBondContact OE2-N 3.41Å; E45-V68 HydrophobicContact CB-CG2 3.69Å
46	S	97.3	Very high	96.4	Very high	59 Å²	59	58.7 Å²	58.7	41%	0.413	28%	0.284	S	S	.	.	S	Bend	trans	-60.9	-31.7	177.1	55.5	0	0	0	0	113.6	E69	S46-E69 WeakPolarHBondContact CB-O 3.35Å; S46-E69 PolarHBondContact N-O 2.82Å; S46-E69 PolarHBondContact OG-O 3.28Å
47	R	97.4	Very high	96.3	Very high	134 Å²	134	58.2 Å²	58.2	51%	0.506	28%	0.283	S	S	.	.	S	Bend	trans	-121.2	118.4	175.7	-178.4	177.5	64.9	-164.1	-4.9	109.7	E45 G49 S50	E45-R47 VanDerWaalsContact CD-O 3.32Å; E45-R47 PolarHBondContact O-N 2.86Å; E45-R47 VanDerWaalsContact OE2-O 3.06Å; R47-G49 PolarHBondContact O-N 2.9Å; R47-S50 WeakPolarHBondContact O-CB 3.22Å; R47-S50 PolarHBondContact O-N 3.24Å; R47-S50 PolarHBondContact O-OG 3.2Å
48	E	95.7	Very high	96.1	Very high	185 Å²	185	56.2 Å²	56.2	86%	0.864	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	129.7	178	-170.2	-179.6	175.2	0	0	112	S50	E48-S50 VanDerWaalsContact C-N 3.28Å; E48-S50 PolarHBondContact O-N 2.93Å
49	G	94.7	Very high	96	Very high	30 Å²	30	54.1 Å²	54.1	31%	0.309	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	-0.4	179.6	0	0	0	0	0	115.3	E45 R47 R52	E45-G49 VanDerWaalsContact CD-N 3.29Å; E45-G49 PolarHBondContact OE1-N 2.91Å; E45-G49 PolarHBondContact OE2-N 2.87Å; R47-G49 PolarHBondContact O-N 2.9Å; G49-R52 WeakPolarHBondContact O-CB 3.41Å; G49-R52 PolarHBondContact O-N 3.34Å
50	S	96.8	Very high	95.8	Very high	8 Å²	8	49.3 Å²	49.3	6%	0.056	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-66.3	-35.7	178.6	70.6	0	0	0	0	113.3	E45 R47 E48 R52 G53 F67 V68	E45-S50 WeakPolarHBondContact OE2-CA 3.39Å; E45-S50 PolarHBondContact OE2-N 3.35Å; E45-S50 PolarHBondContact OE2-OG 3.46Å; R47-S50 WeakPolarHBondContact O-CB 3.22Å; R47-S50 PolarHBondContact O-N 3.24Å; R47-S50 PolarHBondContact O-OG 3.2Å; E48-S50 VanDerWaalsContact C-N 3.28Å; E48-S50 PolarHBondContact O-N 2.93Å; S50-R52 PolarHBondContact O-N 2.79Å; S50-G53 WeakPolarHBondContact O-CA 3.43Å; S50-G53 PolarHBondContact O-N 3.41Å; S50-F67 WeakPolarHBondContact CB-O 3.23Å; S50-V68 WeakPolarHBondContact OG-CG2 3.49Å
51	G	96.3	Very high	95.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-66.5	-19.6	176	0	0	0	0	0	113.6	E45 G53 V54 F55	E45-G51 PolarHBondContact OE2-N 3.41Å; G51-G53 VanDerWaalsContact C-N 3.33Å; G51-V54 VanDerWaalsContact O-CG2 3.31Å; G51-V54 WeakPolarHBondContact O-CG2 3.42Å; G51-F55 WeakPolarHBondContact O-CD2 3.49Å; G51-F55 WeakPolarHBondContact O-CE2 3.49Å
52	R	96.2	Very high	95.3	Very high	97 Å²	97	51.3 Å²	51.3	37%	0.366	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-71.5	-33.2	168.4	-59.2	169.7	62.8	-172	-0.5	111.1	L37 L40 G49 S50 V54 F55	L37-R52 PolarHBondContact O-NE 2.89Å; L37-R52 PolarHBondContact O-NH2 3.09Å; L40-R52 HydrophobicContact CB-CG 4.38Å; L40-R52 HydrophobicContact CD2-CB 4.44Å; L40-R52 HydrophobicContact CD2-CG 3.7Å; G49-R52 WeakPolarHBondContact O-CB 3.41Å; G49-R52 PolarHBondContact O-N 3.34Å; S50-R52 PolarHBondContact O-N 2.79Å; R52-V54 VanDerWaalsContact C-N 3.29Å; R52-V54 PolarHBondContact O-N 2.79Å; R52-F55 PolarHBondContact O-N 2.81Å
53	G	95.3	Very high	95	Very high	23 Å²	23	53.3 Å²	53.3	24%	0.237	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-15.4	-174.6	0	0	0	0	0	115.2	S50 G51	S50-G53 WeakPolarHBondContact O-CA 3.43Å; S50-G53 PolarHBondContact O-N 3.41Å; G51-G53 VanDerWaalsContact C-N 3.33Å
54	V	96.8	Very high	94.8	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-14.5	176.5	-58.5	0	0	0	0	113.5	G51 R52 K56 V68 F78 V167 Y169 I170	G51-V54 VanDerWaalsContact O-CG2 3.31Å; G51-V54 WeakPolarHBondContact O-CG2 3.42Å; R52-V54 VanDerWaalsContact C-N 3.29Å; R52-V54 PolarHBondContact O-N 2.79Å; V54-K56 PolarHBondContact O-N 2.71Å; V54-V68 HydrophobicContact CG1-CB 4.27Å; V54-V68 HydrophobicContact CG1-CG1 3.73Å; V54-V68 HydrophobicContact CG2-CG1 4.4Å; V54-F78 HydrophobicContact CG2-CE1 4.07Å; V54-V167 HydrophobicContact CG1-CG1 4.46Å; V54-V167 VanDerWaalsContact CG1-O 3.27Å; V54-V167 WeakPolarHBondContact CG1-O 3.33Å; V54-Y169 WeakPolarHBondContact O-CA 3.49Å; V54-I170 HydrophobicContact CG2-CB 4.45Å; V54-I170 HydrophobicContact CG2-CD1 3.95Å; V54-I170 HydrophobicContact CG2-CG1 4Å; V54-I170 PolarHBondContact O-N 2.98Å
55	F	96.7	Very high	94.6	Very high	8 Å²	8	57 Å²	57	4%	0.035	29%	0.289	C	S	.	.	S	Bend	trans	-91.1	96	171.8	-60.9	-83.9	0	0	0	109.3	I35 L37 L40 G51 R52 F78 I80 I170 L172	I35-F55 HydrophobicContact CD1-CB 4.09Å; I35-F55 HydrophobicContact CD1-CD1 3.53Å; I35-F55 HydrophobicContact CD1-CE1 4.19Å; I35-F55 HydrophobicContact CD1-CG 3.93Å; L37-F55 HydrophobicContact CD2-CB 4.12Å; L40-F55 HydrophobicContact CD1-CD2 3.66Å; L40-F55 HydrophobicContact CD1-CE2 3.63Å; L40-F55 HydrophobicContact CD1-CG 4.39Å; L40-F55 HydrophobicContact CD1-CZ 4.33Å; L40-F55 HydrophobicContact CD2-CE2 4.46Å; G51-F55 WeakPolarHBondContact O-CD2 3.49Å; G51-F55 WeakPolarHBondContact O-CE2 3.49Å; R52-F55 PolarHBondContact O-N 2.81Å; F55-F78 AromaticContact CE2-CD1 3.82Å; F55-F78 HydrophobicContact CE2-CD1 3.82Å; F55-F78 HydrophobicContact CE2-CE1 4.33Å; F55-F78 HydrophobicContact CE2-CG 4.49Å; F55-F78 HydrophobicContact CZ-CD1 4.19Å; F55-F78 HydrophobicContact CZ-CG 4.45Å; F55-I80 HydrophobicContact CE1-CD1 3.7Å; F55-I80 HydrophobicContact CE2-CD1 4.43Å; F55-I80 HydrophobicContact CZ-CD1 3.44Å; F55-I80 VanDerWaalsContact CZ-CD1 3.44Å; F55-I80 HydrophobicContact CZ-CG1 4.03Å; F55-I170 HydrophobicContact CD1-CB 4.11Å; F55-I170 HydrophobicContact CD1-CG2 4.28Å; F55-I170 HydrophobicContact CE1-CB 3.67Å; F55-I170 HydrophobicContact CE1-CD1 4.36Å; F55-I170 HydrophobicContact CE1-CG2 3.54Å; F55-I170 HydrophobicContact CE2-CD1 4.42Å; F55-I170 HydrophobicContact CZ-CB 4.05Å; F55-I170 HydrophobicContact CZ-CD1 3.86Å; F55-I170 HydrophobicContact CZ-CG2 4.09Å; F55-L172 HydrophobicContact CE1-CD1 4.45Å
56	K	94.3	Very high	94.4	Very high	6 Å²	6	59.2 Å²	59.2	3%	0.026	30%	0.299	C	S	.	.			trans	-138	170.5	-173.6	62.2	-170.6	171.5	-163.4	0	111	V54 E60 D63 F168 Y169	V54-K56 PolarHBondContact O-N 2.71Å; K56-E60 HydrophobicContact CB-CB 4.47Å; K56-E60 HydrophobicContact CD-CB 4.1Å; K56-E60 WeakPolarHBondContact CD-O 3.11Å; K56-E60 WeakPolarHBondContact CE-O 3.35Å; K56-E60 HydrophobicContact CG-CB 4.22Å; K56-D63 PolarHBondContact NZ-O 2.8Å; K56-F168 WeakPolarHBondContact CE-O 3.34Å; K56-F168 PolarHBondContact NZ-O 3.22Å; K56-Y169 HydrophobicContact CD-CD2 4.41Å; K56-Y169 HydrophobicContact CG-CD2 3.7Å; K56-Y169 HydrophobicContact CG-CE2 3.94Å; K56-Y169 WeakPolarHBondContact O-CE2 3.46Å
57	P	92.9	Very high	94.4	Very high	22 Å²	22	59 Å²	59	14%	0.143	29%	0.29	C	S	.	.			trans	-58.1	151.4	175.9	-16.9	26.5	0	0	0	111.9	Y32 E59 E60 R61	Y32-P57 HydrophobicContact CE1-CB 3.95Å; Y32-P57 HydrophobicContact CE1-CG 4.15Å; Y32-P57 HydrophobicContact CE2-CG 3.98Å; Y32-P57 WeakPolarHBondContact OH-CG 3.18Å; P57-E59 PolarHBondContact O-N 3.23Å; P57-E60 HydrophobicContact CG-CG 4.44Å; P57-E60 PolarHBondContact O-N 2.77Å; P57-R61 PolarHBondContact O-N 2.89Å
58	W	91.6	Very high	94.5	Very high	18 Å²	18	52.6 Å²	52.6	7%	0.068	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-56.2	-34.4	177.9	173.9	-100.8	0	0	0	112.9	R25 Y29 E60 R61 I92 G135 Y169	R25-W58 HydrophobicContact CB-CD2 4.25Å; R25-W58 HydrophobicContact CB-CH2 4.47Å; R25-W58 HydrophobicContact CB-CZ2 3.82Å; R25-W58 HydrophobicContact CG-CZ2 4.33Å; Y29-W58 HydrophobicContact CD2-CD2 4.22Å; Y29-W58 AromaticContact CD2-CE3 3.52Å; Y29-W58 HydrophobicContact CD2-CE3 3.52Å; Y29-W58 HydrophobicContact CD2-CH2 4.48Å; Y29-W58 AromaticContact CD2-CZ3 3.68Å; Y29-W58 HydrophobicContact CD2-CZ3 3.68Å; Y29-W58 HydrophobicContact CE2-CE3 4.16Å; Y29-W58 HydrophobicContact CE2-CH2 4.39Å; Y29-W58 AromaticContact CE2-CZ3 3.83Å; Y29-W58 HydrophobicContact CE2-CZ3 3.83Å; Y29-W58 AromaticContact CG-CE3 3.78Å; Y29-W58 HydrophobicContact CG-CE3 3.78Å; Y29-W58 HydrophobicContact CG-CZ3 4.18Å; W58-E60 VanDerWaalsContact C-N 3.27Å; W58-E60 PolarHBondContact O-N 3.12Å; W58-R61 WeakPolarHBondContact O-CB 3.25Å; W58-R61 WeakPolarHBondContact O-CD 3.45Å; W58-R61 VanDerWaalsContact O-CG 3.24Å; W58-R61 WeakPolarHBondContact O-CG 3.28Å; W58-R61 PolarHBondContact O-N 2.74Å; W58-R61 PolarHBondContact O-NH1 3.44Å; W58-I92 HydrophobicContact CH2-CD1 4.02Å; W58-I92 HydrophobicContact CZ3-CD1 3.68Å; W58-G135 WeakPolarHBondContact CH2-O 3.29Å; W58-Y169 HydrophobicContact CE3-CE1 4.47Å
59	E	91.1	Very high	94.6	Very high	125 Å²	125	46.5 Å²	46.5	58%	0.584	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-68.2	-28.3	179.2	-62.5	67.8	-144.9	0	0	111.8	P57	P57-E59 PolarHBondContact O-N 3.23Å
60	E	92.5	Very high	94.8	Very high	79 Å²	79	45.2 Å²	45.2	37%	0.369	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-92.7	3.4	176.9	-68.7	-176.3	-150.8	0	0	112.7	K56 P57 W58 T62 D63 K66	K56-E60 HydrophobicContact CB-CB 4.47Å; K56-E60 HydrophobicContact CD-CB 4.1Å; K56-E60 WeakPolarHBondContact CD-O 3.11Å; K56-E60 WeakPolarHBondContact CE-O 3.35Å; K56-E60 HydrophobicContact CG-CB 4.22Å; P57-E60 HydrophobicContact CG-CG 4.44Å; P57-E60 PolarHBondContact O-N 2.77Å; W58-E60 VanDerWaalsContact C-N 3.27Å; W58-E60 PolarHBondContact O-N 3.12Å; E60-T62 PolarHBondContact O-N 2.87Å; E60-T62 VanDerWaalsContact O-N 3.09Å; E60-D63 VanDerWaalsContact O-CB 3.27Å; E60-D63 WeakPolarHBondContact O-CB 3.48Å; E60-D63 PolarHBondContact O-N 2.87Å; E60-K66 IonicContact OE2-NZ 2.68Å; E60-K66 PolarHBondContact OE2-NZ 3.17Å; E60-K66 VanDerWaalsContact OE2-NZ 3.11Å
61	R	92.4	Very high	94.7	Very high	60 Å²	60	50 Å²	50	23%	0.226	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-30.3	-175.3	78.9	-173.4	180	-72.8	-2.2	113.5	P57 W58 D63 M94 T134 Y169	P57-R61 PolarHBondContact O-N 2.89Å; W58-R61 WeakPolarHBondContact O-CB 3.25Å; W58-R61 WeakPolarHBondContact O-CD 3.45Å; W58-R61 VanDerWaalsContact O-CG 3.24Å; W58-R61 WeakPolarHBondContact O-CG 3.28Å; W58-R61 PolarHBondContact O-N 2.74Å; W58-R61 PolarHBondContact O-NH1 3.44Å; R61-D63 VanDerWaalsContact C-N 3.35Å; R61-M94 HydrophobicContact CB-SD 4.07Å; R61-M94 HydrophobicContact CG-CE 4.5Å; R61-M94 HydrophobicContact CG-SD 4.17Å; R61-T134 PolarHBondContact NE-O 3.29Å; R61-T134 VanDerWaalsContact NE-O 3.15Å; R61-Y169 HydrophobicContact CB-CD1 3.92Å; R61-Y169 HydrophobicContact CB-CD2 3.76Å; R61-Y169 HydrophobicContact CB-CE1 3.96Å; R61-Y169 HydrophobicContact CB-CE2 3.79Å; R61-Y169 HydrophobicContact CB-CG 3.81Å
62	T	90.8	Very high	94.6	Very high	89 Å²	89	53.9 Å²	53.9	55%	0.546	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-6	178.7	54.9	0	0	0	0	113.6	E60 R64	E60-T62 PolarHBondContact O-N 2.87Å; E60-T62 VanDerWaalsContact O-N 3.09Å; T62-R64 PolarHBondContact O-N 2.93Å; T62-R64 VanDerWaalsContact O-N 3.1Å
63	D	92.5	Very high	94.6	Very high	53 Å²	53	52 Å²	52	28%	0.283	28%	0.278	S	S	.	.			trans	-70.7	103.1	173.2	174.8	16.8	0	0	0	110	K56 E60 R61 S65	K56-D63 PolarHBondContact NZ-O 2.8Å; E60-D63 VanDerWaalsContact O-CB 3.27Å; E60-D63 WeakPolarHBondContact O-CB 3.48Å; E60-D63 PolarHBondContact O-N 2.87Å; R61-D63 VanDerWaalsContact C-N 3.35Å; D63-S65 VanDerWaalsContact C-N 3.28Å; D63-S65 PolarHBondContact O-N 3.33Å; D63-S65 WeakPolarHBondContact OD1-CB 3.48Å; D63-S65 PolarHBondContact OD1-N 3.21Å; D63-S65 PolarHBondContact OD1-OG 3.47Å; D63-S65 PolarHBondContact OD2-OG 2.85Å
64	R	93.3	Very high	94.7	Very high	87 Å²	87	54.2 Å²	54.2	33%	0.328	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	2.3	-179.1	-58.2	-177.1	71.2	106.1	-4.6	113.8	T62 K66 E96 F168	T62-R64 PolarHBondContact O-N 2.93Å; T62-R64 VanDerWaalsContact O-N 3.1Å; R64-K66 VanDerWaalsContact C-N 3.29Å; R64-K66 PolarHBondContact O-N 3.09Å; R64-E96 IonicContact CZ-OE1 3.96Å; R64-E96 IonicContact CZ-OE2 2.69Å; R64-E96 IonicContact NH2-OE1 2.76Å; R64-E96 PolarHBondContact NH2-OE1 3.34Å; R64-E96 IonicContact NH2-OE2 3.87Å; R64-E96 PolarHBondContact NH2-OE2 2.66Å; R64-F168 HydrophobicContact CB-CD1 3.83Å; R64-F168 HydrophobicContact CB-CE1 3.9Å; R64-F168 HydrophobicContact CG-CD1 4.14Å; R64-F168 HydrophobicContact CG-CE1 4.42Å; R64-F168 VanDerWaalsContact NH2-CZ 3.27Å
65	S	94	Very high	94.8	Very high	80 Å²	80	56.8 Å²	56.8	56%	0.559	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-27.5	177.6	72.5	0	0	0	0	112.9	D63	D63-S65 VanDerWaalsContact C-N 3.28Å; D63-S65 PolarHBondContact O-N 3.33Å; D63-S65 WeakPolarHBondContact OD1-CB 3.48Å; D63-S65 PolarHBondContact OD1-N 3.21Å; D63-S65 PolarHBondContact OD1-OG 3.47Å; D63-S65 PolarHBondContact OD2-OG 2.85Å
66	K	94.7	Very high	94.9	Very high	81 Å²	81	56.4 Å²	56.4	35%	0.352	29%	0.293	S	S	.	.	S	Bend	trans	-103.1	115.2	175.7	-59.6	174.1	-168.5	162.3	0	109.5	E60 R64	E60-K66 IonicContact OE2-NZ 2.68Å; E60-K66 PolarHBondContact OE2-NZ 3.17Å; E60-K66 VanDerWaalsContact OE2-NZ 3.11Å; R64-K66 VanDerWaalsContact C-N 3.29Å; R64-K66 PolarHBondContact O-N 3.09Å
67	F	97.2	Very high	95.1	Very high	54 Å²	54	56.1 Å²	56.1	24%	0.237	29%	0.291	C	S	.	.			trans	-148.4	160.7	177.2	65.3	-90.9	0	0	0	110	S50 E69 K166 V167 F168	S50-F67 WeakPolarHBondContact CB-O 3.23Å; F67-E69 HydrophobicContact CD2-CB 4.27Å; F67-E69 HydrophobicContact CE2-CB 4.21Å; F67-K166 HydrophobicContact CD2-CD 4.44Å; F67-K166 HydrophobicContact CD2-CG 4.26Å; F67-K166 VanDerWaalsContact CE2-CE 3.49Å; F67-V167 VanDerWaalsContact CA-O 3.28Å; F67-V167 WeakPolarHBondContact CA-O 3.38Å; F67-V167 WeakPolarHBondContact CB-O 3.43Å; F67-F168 HydrophobicContact CB-CD1 3.57Å; F67-F168 HydrophobicContact CB-CE1 3.7Å; F67-F168 HydrophobicContact CB-CG 4.24Å; F67-F168 HydrophobicContact CB-CZ 4.44Å; F67-F168 HydrophobicContact CD1-CE1 4.19Å; F67-F168 HydrophobicContact CG-CD1 4.44Å; F67-F168 HydrophobicContact CG-CE1 4.11Å
68	V	98.3	Very high	95.3	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	140.3	166.1	60	0	0	0	0	108.5	E45 S50 V54 L76 F78 K166 V167	E45-V68 HydrophobicContact CB-CG2 3.69Å; S50-V68 WeakPolarHBondContact OG-CG2 3.49Å; V54-V68 HydrophobicContact CG1-CB 4.27Å; V54-V68 HydrophobicContact CG1-CG1 3.73Å; V54-V68 HydrophobicContact CG2-CG1 4.4Å; V68-L76 HydrophobicContact CG1-CD1 4.19Å; V68-L76 HydrophobicContact CG2-CD1 4.32Å; V68-L76 HydrophobicContact CG2-CD2 4.09Å; V68-F78 HydrophobicContact CG1-CE1 4.15Å; V68-F78 HydrophobicContact CG1-CZ 3.83Å; V68-K166 WeakPolarHBondContact O-CA 3.48Å; V68-V167 HydrophobicContact CG1-CB 3.83Å; V68-V167 PolarHBondContact N-O 2.83Å; V68-V167 PolarHBondContact O-N 3.31Å
69	E	98.1	Very high	95.7	Very high	56 Å²	56	54.3 Å²	54.3	26%	0.262	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	135.6	176.3	-174.5	165.6	171.5	0	0	107.2	S46 F67 T164 T165 K166	S46-E69 WeakPolarHBondContact CB-O 3.35Å; S46-E69 PolarHBondContact N-O 2.82Å; S46-E69 PolarHBondContact OG-O 3.28Å; F67-E69 HydrophobicContact CD2-CB 4.27Å; F67-E69 HydrophobicContact CE2-CB 4.21Å; E69-T164 PolarHBondContact OE1-OG1 2.8Å; E69-T165 CarbonylContact C-O 3.28Å; E69-T165 VanDerWaalsContact CA-O 3.3Å; E69-T165 WeakPolarHBondContact CA-O 3.35Å; E69-K166 HydrophobicContact CB-CG 4.48Å; E69-K166 IonicContact OE2-NZ 2.64Å; E69-K166 PolarHBondContact OE2-NZ 3.07Å
70	S	98.1	Very high	96	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.021	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-70.1	157.8	178.7	65.5	0	0	0	0	112.1	N44 D73 T164 T165	N44-S70 CarbonylContact O-C 3.57Å; N44-S70 WeakPolarHBondContact O-CA 3.46Å; S70-D73 WeakPolarHBondContact CB-O 3.4Å; S70-D73 PolarHBondContact OG-O 2.81Å; S70-T164 VanDerWaalsContact OG-CA 3.31Å; S70-T164 WeakPolarHBondContact OG-CA 3.36Å; S70-T164 WeakPolarHBondContact OG-CB 3.42Å; S70-T165 PolarHBondContact N-O 2.95Å; S70-T165 PolarHBondContact OG-N 3.26Å
71	D	96.5	Very high	96.2	Very high	110 Å²	110	45.5 Å²	45.5	59%	0.588	24%	0.243	S	C	*	.	S	Bend	trans	-102.6	-65.1	-173.6	-166.5	35.2	0	0	0	113	N44	N44-D71 PolarHBondContact O-N 2.6Å
72	A	94	Very high	96.4	Very high	81 Å²	81	43.5 Å²	43.5	67%	0.669	24%	0.236	S	C	*	.	S	Bend	trans	-84.9	-31.9	-170.1	0	0	0	0	0	114	N44	N44-A72 PolarHBondContact OD1-N 2.79Å; N44-A72 VanDerWaalsContact OD1-N 3.1Å
73	D	96.6	Very high	96.6	Very high	58 Å²	58	42.9 Å²	42.9	31%	0.31	23%	0.232	S	C	.	.	S	Bend	trans	-157.5	-174.1	-174.3	55.5	42.9	0	0	0	109.4	N44 S70 E75 D163	N44-D73 PolarHBondContact ND2-O 3.29Å; N44-D73 PolarHBondContact ND2-OD1 2.77Å; S70-D73 WeakPolarHBondContact CB-O 3.4Å; S70-D73 PolarHBondContact OG-O 2.81Å; D73-E75 VanDerWaalsContact C-N 3.27Å; D73-E75 PolarHBondContact O-N 3.12Å; D73-E75 WeakPolarHBondContact OD1-CB 3.34Å; D73-E75 PolarHBondContact OD1-N 3.2Å; D73-D163 CarbonylContact C-O 3.57Å; D73-D163 VanDerWaalsContact C-O 3.28Å
74	E	97.2	Very high	96.6	Very high	69 Å²	69	40.5 Å²	40.5	32%	0.322	22%	0.22	S	C	.	.	S	Bend	trans	-73.8	-7.8	-179.1	68.5	-90.9	-148	0	0	115	N159 D163 T165	E74-N159 VanDerWaalsContact CB-ND2 3.31Å; E74-N159 WeakPolarHBondContact CB-ND2 3.44Å; E74-D163 PolarHBondContact N-O 3Å; E74-T165 WeakPolarHBondContact O-CB 3.21Å; E74-T165 PolarHBondContact O-OG1 2.93Å
75	E	98	Very high	96.6	Very high	53 Å²	53	37.7 Å²	37.7	25%	0.248	21%	0.211	C	C	.	.			trans	-81.6	142.1	-171.9	-57.7	-161.2	86.9	0	0	112.5	N44 D73 F116 H155 I156	N44-E75 WeakPolarHBondContact CB-O 3.24Å; N44-E75 PolarHBondContact ND2-O 2.68Å; D73-E75 VanDerWaalsContact C-N 3.27Å; D73-E75 PolarHBondContact O-N 3.12Å; D73-E75 WeakPolarHBondContact OD1-CB 3.34Å; D73-E75 PolarHBondContact OD1-N 3.2Å; E75-F116 HydrophobicContact CB-CD1 4.44Å; E75-F116 HydrophobicContact CB-CE1 3.85Å; E75-H155 IonicContact OE1-CD2 3.61Å; E75-H155 IonicContact OE1-CE1 3.59Å; E75-H155 PolarHBondContact OE1-CE1 3.29Å; E75-H155 IonicContact OE1-NE2 3.07Å; E75-H155 PolarHBondContact OE1-NE2 2.91Å; E75-I156 CarbonylContact C-O 3.57Å; E75-I156 VanDerWaalsContact CA-O 3.26Å; E75-I156 WeakPolarHBondContact CA-O 3.49Å
76	L	98.5	Very high	96.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	137.5	169.6	-74.1	168.8	0	0	0	109.6	N44 V68 F78 H155 I156 T165 V167	N44-L76 WeakPolarHBondContact O-CD2 3.09Å; V68-L76 HydrophobicContact CG1-CD1 4.19Å; V68-L76 HydrophobicContact CG2-CD1 4.32Å; V68-L76 HydrophobicContact CG2-CD2 4.09Å; L76-F78 HydrophobicContact CB-CE2 3.86Å; L76-F78 HydrophobicContact CB-CZ 4.32Å; L76-F78 HydrophobicContact CD1-CE2 4.47Å; L76-F78 HydrophobicContact CD1-CZ 4.29Å; L76-H155 CarbonylContact O-C 3.53Å; L76-H155 WeakPolarHBondContact O-CA 3.41Å; L76-I156 HydrophobicContact CB-CB 4.2Å; L76-I156 HydrophobicContact CB-CG1 4.39Å; L76-I156 PolarHBondContact N-O 3.48Å; L76-I156 PolarHBondContact O-N 2.98Å; L76-T165 HydrophobicContact CD1-CG2 4.16Å; L76-V167 HydrophobicContact CD1-CG2 4.34Å
77	L	98.5	Very high	96.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	115.3	176.8	-178.2	60	0	0	0	111	C42 L43 M114 S115 F116 T119 I154 H155	C42-L77 CarbonylContact C-O 3.52Å; C42-L77 WeakPolarHBondContact CA-O 3.42Å; L43-L77 HydrophobicContact CB-CB 4.23Å; L43-L77 HydrophobicContact CD1-CD2 4.1Å; L43-L77 PolarHBondContact N-O 3.12Å; L43-L77 PolarHBondContact O-N 2.9Å; L77-M114 HydrophobicContact CD1-SD 4.42Å; L77-M114 HydrophobicContact CD2-CB 4.28Å; L77-M114 HydrophobicContact CD2-CG 4.28Å; L77-M114 WeakPolarHBondContact CD2-O 3.44Å; L77-S115 VanDerWaalsContact CD2-C 3.5Å; L77-S115 WeakPolarHBondContact CD2-O 3.41Å; L77-F116 HydrophobicContact CB-CD1 4.44Å; L77-F116 HydrophobicContact CB-CE1 3.8Å; L77-F116 HydrophobicContact CB-CZ 4Å; L77-T119 HydrophobicContact CD2-CG2 4.34Å; L77-I154 WeakPolarHBondContact CA-O 3.38Å; L77-H155 HydrophobicContact CD1-CB 3.82Å
78	F	98.5	Very high	96.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	124.1	176.2	-55.6	-95.6	0	0	0	109.5	Q41 C42 V54 F55 V68 L76 I80 S153 I154 I156 I170	Q41-F78 CarbonylContact O-C 3.59Å; Q41-F78 WeakPolarHBondContact O-CA 3.17Å; C42-F78 HydrophobicContact CB-CD1 4.1Å; C42-F78 HydrophobicContact CB-CE1 4.31Å; C42-F78 WeakPolarHBondContact SG-CE1 3.29Å; V54-F78 HydrophobicContact CG2-CE1 4.07Å; F55-F78 AromaticContact CE2-CD1 3.82Å; F55-F78 HydrophobicContact CE2-CD1 3.82Å; F55-F78 HydrophobicContact CE2-CE1 4.33Å; F55-F78 HydrophobicContact CE2-CG 4.49Å; F55-F78 HydrophobicContact CZ-CD1 4.19Å; F55-F78 HydrophobicContact CZ-CG 4.45Å; V68-F78 HydrophobicContact CG1-CE1 4.15Å; V68-F78 HydrophobicContact CG1-CZ 3.83Å; L76-F78 HydrophobicContact CB-CE2 3.86Å; L76-F78 HydrophobicContact CB-CZ 4.32Å; L76-F78 HydrophobicContact CD1-CE2 4.47Å; L76-F78 HydrophobicContact CD1-CZ 4.29Å; F78-I80 HydrophobicContact CB-CD1 4.18Å; F78-I80 HydrophobicContact CB-CG1 4.03Å; F78-S153 CarbonylContact O-C 3.59Å; F78-S153 WeakPolarHBondContact O-CA 3.12Å; F78-I154 HydrophobicContact CB-CB 4.27Å; F78-I154 HydrophobicContact CD2-CB 4.28Å; F78-I154 HydrophobicContact CD2-CG2 4.5Å; F78-I154 PolarHBondContact N-O 3.03Å; F78-I154 PolarHBondContact O-N 3.22Å; F78-I156 HydrophobicContact CE2-CG1 4.23Å; F78-I170 HydrophobicContact CD1-CD1 4.44Å; F78-I170 HydrophobicContact CD2-CD1 4.16Å; F78-I170 HydrophobicContact CE1-CD1 4.13Å; F78-I170 HydrophobicContact CE2-CD1 3.87Å; F78-I170 HydrophobicContact CG-CD1 4.45Å; F78-I170 HydrophobicContact CZ-CD1 3.85Å
79	N	98.3	Very high	96.7	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.011	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	108.9	170.5	-76	-57.4	0	0	0	109	L40 Q41 P81 M114 S153	L40-N79 WeakPolarHBondContact CA-O 3.23Å; Q41-N79 HydrophobicContact CB-CB 4.3Å; Q41-N79 PolarHBondContact N-O 3.45Å; Q41-N79 VanDerWaalsContact N-O 3.12Å; Q41-N79 PolarHBondContact O-N 3.46Å; N79-P81 VanDerWaalsContact O-CD 3.23Å; N79-P81 WeakPolarHBondContact O-CD 3.33Å; N79-M114 PolarHBondContact ND2-O 2.87Å; N79-M114 VanDerWaalsContact OD1-CB 3.25Å; N79-M114 WeakPolarHBondContact OD1-CB 3.44Å; N79-M114 PolarHBondContact OD1-N 3.37Å; N79-M114 VanDerWaalsContact OD1-N 3.12Å; N79-S153 PolarHBondContact OD1-OG 3.29Å
80	I	98	Very high	96.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	95	-165.8	-49.4	168.2	0	0	0	109.2	I35 L40 F55 F78 F82 H151 L152 I154	I35-I80 HydrophobicContact CB-CG2 4.35Å; I35-I80 HydrophobicContact CD1-CG2 3.95Å; I35-I80 HydrophobicContact CG1-CG2 3.85Å; I35-I80 HydrophobicContact CG2-CG2 3.64Å; L40-I80 HydrophobicContact CD1-CB 4.44Å; L40-I80 HydrophobicContact CD1-CG1 4.06Å; L40-I80 HydrophobicContact CD1-CG2 4.17Å; F55-I80 HydrophobicContact CE1-CD1 3.7Å; F55-I80 HydrophobicContact CE2-CD1 4.43Å; F55-I80 HydrophobicContact CZ-CD1 3.44Å; F55-I80 VanDerWaalsContact CZ-CD1 3.44Å; F55-I80 HydrophobicContact CZ-CG1 4.03Å; F78-I80 HydrophobicContact CB-CD1 4.18Å; F78-I80 HydrophobicContact CB-CG1 4.03Å; I80-F82 HydrophobicContact CG2-CE1 4.07Å; I80-F82 HydrophobicContact CG2-CZ 4.12Å; I80-H151 WeakPolarHBondContact O-CA 3.28Å; I80-L152 WeakPolarHBondContact CA-O 3.21Å; I80-L152 HydrophobicContact CB-CB 4.38Å; I80-L152 VanDerWaalsContact CB-O 3.24Å; I80-L152 WeakPolarHBondContact CB-O 3.5Å; I80-L152 HydrophobicContact CD1-CD2 4.3Å; I80-L152 PolarHBondContact N-O 3.13Å; I80-L152 PolarHBondContact O-N 2.59Å; I80-I154 HydrophobicContact CD1-CD1 3.5Å; I80-I154 HydrophobicContact CD1-CG1 3.73Å
81	P	97.3	Very high	96.5	Very high	20 Å²	20	30.3 Å²	30.3	13%	0.13	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	135.2	170	26.1	-29.2	0	0	0	110.8	D36 R39 N79	D36-P81 HydrophobicContact CB-CB 4.34Å; D36-P81 HydrophobicContact CB-CG 4.08Å; D36-P81 PolarHBondContact N-O 3.22Å; R39-P81 HydrophobicContact CB-CG 3.73Å; N79-P81 VanDerWaalsContact O-CD 3.23Å; N79-P81 WeakPolarHBondContact O-CD 3.33Å
82	F	96.5	Very high	96.5	Very high	18 Å²	18	25.1 Å²	25.1	8%	0.079	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	150.7	170.7	-62.2	-69.2	0	0	0	111.5	R34 I35 I80 G84 V86 V149 Y150 L152 L172	R34-F82 WeakPolarHBondContact O-CA 3.11Å; I35-F82 HydrophobicContact CG1-CD1 4Å; I35-F82 HydrophobicContact CG1-CE1 3.73Å; I80-F82 HydrophobicContact CG2-CE1 4.07Å; I80-F82 HydrophobicContact CG2-CZ 4.12Å; F82-G84 WeakPolarHBondContact CB-O 3.39Å; F82-G84 PolarHBondContact O-N 2.79Å; F82-V86 HydrophobicContact CB-CG2 4.03Å; F82-V86 HydrophobicContact CD1-CG2 3.76Å; F82-V86 HydrophobicContact CD2-CB 4.21Å; F82-V86 HydrophobicContact CD2-CG2 3.9Å; F82-V86 HydrophobicContact CE1-CG2 4.15Å; F82-V86 HydrophobicContact CE2-CB 4.31Å; F82-V86 HydrophobicContact CE2-CG2 4.28Å; F82-V86 HydrophobicContact CG-CB 4.43Å; F82-V86 HydrophobicContact CG-CG2 3.62Å; F82-V86 HydrophobicContact CZ-CG2 4.41Å; F82-V149 HydrophobicContact CD2-CG1 4.22Å; F82-V149 HydrophobicContact CE2-CG1 3.85Å; F82-Y150 PolarHBondContact N-O 2.85Å; F82-L152 HydrophobicContact CE2-CB 3.63Å; F82-L152 HydrophobicContact CZ-CB 4.05Å; F82-L152 HydrophobicContact CZ-CD2 4.33Å; F82-L172 HydrophobicContact CE1-CD1 3.88Å; F82-L172 HydrophobicContact CZ-CD1 3.77Å
83	T	93.6	Very high	96.6	Very high	76 Å²	76	21.3 Å²	21.3	47%	0.466	11%	0.108	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	-1.7	174.8	53	0	0	0	0	113.9	R34 D36	R34-T83 WeakPolarHBondContact CA-OG1 3.49Å; R34-T83 PolarHBondContact O-N 2.81Å; R34-T83 PolarHBondContact O-OG1 2.79Å; D36-T83 HydrophobicContact CB-CG2 4.34Å
84	G	93	Very high	96.7	Very high	3 Å²	3	18.7 Å²	18.7	3%	0.031	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.8	-161.9	179	0	0	0	0	0	110.9	F82	F82-G84 WeakPolarHBondContact CB-O 3.39Å; F82-G84 PolarHBondContact O-N 2.79Å
85	N	94.2	Very high	96.6	Very high	28 Å²	28	15.4 Å²	15.4	15%	0.15	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	129.2	176.1	-74.6	-36.7	0	0	0	110.5	N148 W176 T177 L179	N85-N148 PolarHBondContact ND2-OD1 2.9Å; N85-N148 PolarHBondContact OD1-OD1 2.83Å; N85-N148 VanDerWaalsContact OD1-OD1 3.09Å; N85-W176 CarbonylContact O-C 3.59Å; N85-W176 WeakPolarHBondContact O-CA 3.43Å; N85-T177 WeakPolarHBondContact CB-OG1 3.45Å; N85-T177 PolarHBondContact N-O 3.06Å; N85-T177 PolarHBondContact O-N 2.95Å; N85-T177 PolarHBondContact O-OG1 3.38Å; N85-L179 WeakPolarHBondContact ND2-CD1 3.21Å
86	V	95.5	Very high	96.5	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	132	177.4	174.1	0	0	0	0	109.9	L31 F82 L88 V149 E175	L31-V86 HydrophobicContact CD1-CG1 3.61Å; L31-V86 HydrophobicContact CD2-CG1 4.11Å; L31-V86 HydrophobicContact CD2-CG2 4.26Å; F82-V86 HydrophobicContact CB-CG2 4.03Å; F82-V86 HydrophobicContact CD1-CG2 3.76Å; F82-V86 HydrophobicContact CD2-CB 4.21Å; F82-V86 HydrophobicContact CD2-CG2 3.9Å; F82-V86 HydrophobicContact CE1-CG2 4.15Å; F82-V86 HydrophobicContact CE2-CB 4.31Å; F82-V86 HydrophobicContact CE2-CG2 4.28Å; F82-V86 HydrophobicContact CG-CB 4.43Å; F82-V86 HydrophobicContact CG-CG2 3.62Å; F82-V86 HydrophobicContact CZ-CG2 4.41Å; V86-L88 HydrophobicContact CG1-CB 4.39Å; V86-V149 HydrophobicContact CB-CB 4.46Å; V86-V149 WeakPolarHBondContact CB-O 3.35Å; V86-V149 PolarHBondContact N-O 2.96Å; V86-V149 WeakPolarHBondContact O-CB 3.24Å; V86-V149 PolarHBondContact O-N 2.82Å; V86-E175 CarbonylContact C-O 3.55Å; V86-E175 WeakPolarHBondContact CA-O 3.47Å
87	K	96.3	Very high	96.2	Very high	67 Å²	67	20 Å²	20	29%	0.291	10%	0.104	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	99.2	160.3	176.7	-169	-62.6	160	0	107.7	I143 F146 G174 E175	K87-I143 HydrophobicContact CD-CG2 3.96Å; K87-I143 HydrophobicContact CG-CG2 4.02Å; K87-F146 CarbonylContact C-O 3.51Å; K87-F146 VanDerWaalsContact CA-O 3.29Å; K87-F146 WeakPolarHBondContact CA-O 3.4Å; K87-G174 CarbonylContact O-C 3.51Å; K87-G174 WeakPolarHBondContact O-CA 3.06Å; K87-E175 HydrophobicContact CB-CB 4.28Å; K87-E175 PolarHBondContact N-O 3.48Å; K87-E175 IonicContact NZ-OE2 2.79Å; K87-E175 PolarHBondContact NZ-OE2 2.79Å; K87-E175 PolarHBondContact O-N 2.9Å
88	L	97.1	Very high	96.1	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	128.2	-179.5	-168	67.1	0	0	0	109.7	L31 V86 I91 L107 T141 F146 L152 L172	L31-L88 HydrophobicContact CD1-CD1 4.15Å; V86-L88 HydrophobicContact CG1-CB 4.39Å; L88-I91 HydrophobicContact CD1-CG1 4.41Å; L88-I91 HydrophobicContact CD2-CD1 3.98Å; L88-I91 HydrophobicContact CD2-CG1 4.12Å; L88-I91 HydrophobicContact CG-CG1 4.47Å; L88-L107 HydrophobicContact CD2-CD1 4.48Å; L88-T141 HydrophobicContact CD2-CG2 3.97Å; L88-T141 HydrophobicContact CG-CG2 4.16Å; L88-T141 PolarHBondContact O-OG1 2.86Å; L88-F146 HydrophobicContact CB-CB 3.87Å; L88-F146 HydrophobicContact CD2-CD1 4.37Å; L88-F146 PolarHBondContact N-O 2.55Å; L88-L152 HydrophobicContact CD2-CD1 4.29Å; L88-L152 HydrophobicContact CD2-CD2 3.88Å; L88-L172 HydrophobicContact CD1-CB 4.07Å; L88-L172 HydrophobicContact CD1-CD2 4.29Å
89	K	96.1	Very high	96	Very high	50 Å²	50	27.2 Å²	27.2	22%	0.217	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	-31.7	-179.1	-65	-178	-178.2	176.7	0	112.7	T141 I143 R173 E175	K89-T141 VanDerWaalsContact CA-OG1 3.29Å; K89-T141 WeakPolarHBondContact CA-OG1 3.45Å; K89-T141 PolarHBondContact N-OG1 2.95Å; K89-T141 PolarHBondContact O-N 3.29Å; K89-T141 PolarHBondContact O-OG1 2.78Å; K89-I143 HydrophobicContact CG-CD1 4.28Å; K89-I143 HydrophobicContact CG-CG1 4.35Å; K89-R173 PolarHBondContact N-O 3.36Å; K89-E175 WeakPolarHBondContact CE-OE1 3.16Å; K89-E175 IonicContact NZ-OE1 2.64Å; K89-E175 PolarHBondContact NZ-OE1 3.17Å
90	G	95.7	Very high	96	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	161.3	180	0	0	0	0	0	112.9	Y139 R173	G90-Y139 VanDerWaalsContact CA-O 3.27Å; G90-Y139 WeakPolarHBondContact CA-O 3.48Å; G90-R173 PolarHBondContact N-O 3.37Å; G90-R173 PolarHBondContact O-N 3.06Å
91	I	97.2	Very high	96	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	140.7	176.4	-56.7	-176	0	0	0	108.7	L88 M105 L107 Y139 T141 I154 I170 G171 L172	L88-I91 HydrophobicContact CD1-CG1 4.41Å; L88-I91 HydrophobicContact CD2-CD1 3.98Å; L88-I91 HydrophobicContact CD2-CG1 4.12Å; L88-I91 HydrophobicContact CG-CG1 4.47Å; I91-M105 HydrophobicContact CB-CE 4.14Å; I91-M105 HydrophobicContact CD1-CE 4Å; I91-M105 HydrophobicContact CD1-SD 4.39Å; I91-M105 HydrophobicContact CG2-CE 4.02Å; I91-M105 HydrophobicContact CG2-SD 4.14Å; I91-L107 HydrophobicContact CD1-CD1 3.48Å; I91-L107 VanDerWaalsContact CD1-CD1 3.48Å; I91-L107 HydrophobicContact CD1-CD2 3.59Å; I91-L107 HydrophobicContact CD1-CG 4.16Å; I91-Y139 PolarHBondContact N-O 2.82Å; I91-Y139 PolarHBondContact O-N 2.91Å; I91-T141 HydrophobicContact CD1-CG2 4.4Å; I91-T141 HydrophobicContact CG1-CG2 4.22Å; I91-I154 HydrophobicContact CD1-CD1 4.4Å; I91-I170 HydrophobicContact CG2-CG2 4.25Å; I91-G171 CarbonylContact C-O 3.53Å; I91-G171 VanDerWaalsContact CA-O 3.29Å; I91-G171 WeakPolarHBondContact CA-O 3.47Å; I91-L172 HydrophobicContact CB-CD2 4.49Å; I91-L172 HydrophobicContact CD1-CD2 4.11Å; I91-L172 HydrophobicContact CG1-CD2 3.88Å; I91-L172 HydrophobicContact CG2-CD2 4.13Å
92	I	96.4	Very high	96	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	140.7	166	-72.9	175.2	0	0	0	107.9	Y29 W58 M94 G135 E138 Y169 I170 G171	Y29-I92 HydrophobicContact CE1-CB 4.28Å; Y29-I92 HydrophobicContact CE1-CD1 3.74Å; Y29-I92 HydrophobicContact CE1-CG1 3.94Å; Y29-I92 HydrophobicContact CE2-CD1 3.85Å; Y29-I92 WeakPolarHBondContact OH-CD1 3.37Å; Y29-I92 WeakPolarHBondContact OH-CG1 3.4Å; W58-I92 HydrophobicContact CH2-CD1 4.02Å; W58-I92 HydrophobicContact CZ3-CD1 3.68Å; I92-M94 HydrophobicContact CG2-CG 4.27Å; I92-G135 WeakPolarHBondContact CD1-O 3.31Å; I92-E138 HydrophobicContact CD1-CB 4.42Å; I92-E138 HydrophobicContact CG1-CB 4.09Å; I92-E138 HydrophobicContact CG1-CG 4.31Å; I92-Y169 HydrophobicContact CG2-CD1 4.16Å; I92-Y169 HydrophobicContact CG2-CE1 4.18Å; I92-I170 CarbonylContact O-C 3.57Å; I92-I170 WeakPolarHBondContact O-CA 3.26Å; I92-G171 PolarHBondContact N-O 2.94Å; I92-G171 PolarHBondContact O-N 3.42Å
93	I	97.1	Very high	96.1	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	132.5	172.7	-171.1	164.4	0	0	0	109	P102 L129 Y139 I156 V167 Y169 I170	I93-P102 HydrophobicContact CD1-CB 4.09Å; I93-P102 HydrophobicContact CD1-CG 3.62Å; I93-P102 HydrophobicContact CG1-CG 3.9Å; I93-L129 HydrophobicContact CD1-CD1 4.35Å; I93-L129 HydrophobicContact CG2-CD1 3.7Å; I93-L129 HydrophobicContact CG2-CD2 3.93Å; I93-L129 HydrophobicContact CG2-CG 4.35Å; I93-Y139 HydrophobicContact CG2-CE2 4.19Å; I93-I156 HydrophobicContact CD1-CD1 3.51Å; I93-I156 HydrophobicContact CD1-CG1 4.33Å; I93-V167 HydrophobicContact CD1-CG1 4.27Å; I93-V167 HydrophobicContact CD1-CG2 4.22Å; I93-V167 HydrophobicContact CG1-CG1 3.94Å; I93-Y169 WeakPolarHBondContact CA-O 3.19Å; I93-I170 HydrophobicContact CG1-CG1 4.33Å
94	M	97.3	Very high	96.3	Very high	4 Å²	4	25 Å²	25	2%	0.02	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	127.4	177	-59.5	164.1	64.5	0	0	109.3	R61 I92 D132 L133 F168 Y169	R61-M94 HydrophobicContact CB-SD 4.07Å; R61-M94 HydrophobicContact CG-CE 4.5Å; R61-M94 HydrophobicContact CG-SD 4.17Å; I92-M94 HydrophobicContact CG2-CG 4.27Å; M94-D132 WeakPolarHBondContact CA-O 3.42Å; M94-L133 WeakPolarHBondContact CE-O 3.45Å; M94-F168 PolarHBondContact O-N 3.15Å; M94-Y169 HydrophobicContact CG-CD1 4.21Å; M94-Y169 PolarHBondContact N-O 2.86Å; M94-Y169 PolarHBondContact O-N 3.36Å; M94-Y169 HydrophobicContact SD-CD1 3.57Å; M94-Y169 VanDerWaalsContact SD-CD1 3.57Å; M94-Y169 HydrophobicContact SD-CG 3.91Å
95	G	96	Very high	96.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	-164.3	175.1	0	0	0	0	0	113	H101 K166 F168	G95-H101 VanDerWaalsContact C-CD2 3.47Å; G95-H101 WeakPolarHBondContact CA-CD2 3.46Å; G95-H101 PolarHBondContact N-CD2 3.19Å; G95-H101 PolarHBondContact N-NE2 3.32Å; G95-K166 WeakPolarHBondContact CA-O 3.32Å; G95-F168 WeakPolarHBondContact O-CD2 3.3Å
96	E	95	Very high	96.8	Very high	50 Å²	50	26.4 Å²	26.4	23%	0.234	13%	0.131	C	C	.	.			trans	-78.9	159.1	174.8	-168.1	49.3	-86	0	0	111.8	R64 D98 S100 H101 K166 F168	R64-E96 IonicContact CZ-OE1 3.96Å; R64-E96 IonicContact CZ-OE2 2.69Å; R64-E96 IonicContact NH2-OE1 2.76Å; R64-E96 PolarHBondContact NH2-OE1 3.34Å; R64-E96 IonicContact NH2-OE2 3.87Å; R64-E96 PolarHBondContact NH2-OE2 2.66Å; E96-D98 WeakPolarHBondContact CB-OD1 3.43Å; E96-D98 HydrophobicContact CG-CB 4.45Å; E96-D98 WeakPolarHBondContact CG-OD2 3.5Å; E96-D98 PolarHBondContact O-N 3.13Å; E96-S100 WeakPolarHBondContact CB-OG 3.38Å; E96-H101 VanDerWaalsContact O-CB 3.32Å; E96-H101 WeakPolarHBondContact O-CB 3.44Å; E96-H101 PolarHBondContact O-CD2 2.91Å; E96-H101 VanDerWaalsContact O-CD2 3.25Å; E96-K166 HydrophobicContact CB-CB 4.38Å; E96-K166 HydrophobicContact CB-CD 4.41Å; E96-F168 HydrophobicContact CB-CE2 3.92Å; E96-F168 VanDerWaalsContact OE2-CZ 3.26Å; E96-F168 WeakPolarHBondContact OE2-CZ 3.41Å
97	D	93.1	Very high	96.9	Very high	100 Å²	100	26.4 Å²	26.4	54%	0.535	13%	0.131	S	C	.	.	S	Bend	trans	-82.2	44.3	174.8	-162.3	19.4	0	0	0	112.9	L133	D97-L133 HydrophobicContact CB-CD1 3.9Å; D97-L133 HydrophobicContact CB-CD2 3.57Å; D97-L133 HydrophobicContact CB-CG 4Å
98	D	95.6	Very high	97	Very high	72 Å²	72	23.3 Å²	23.3	39%	0.385	12%	0.117	S	C	.	.	S	Bend	trans	-146.4	-164.9	-179.6	67.8	16.5	0	0	0	111.1	E96 S100 H101	E96-D98 WeakPolarHBondContact CB-OD1 3.43Å; E96-D98 HydrophobicContact CG-CB 4.45Å; E96-D98 WeakPolarHBondContact CG-OD2 3.5Å; E96-D98 PolarHBondContact O-N 3.13Å; D98-S100 PolarHBondContact O-N 2.89Å; D98-S100 WeakPolarHBondContact OD1-CA 3.29Å; D98-S100 WeakPolarHBondContact OD1-CB 3.39Å; D98-S100 PolarHBondContact OD1-N 3.48Å; D98-S100 PolarHBondContact OD1-OG 2.92Å; D98-H101 PolarHBondContact O-N 2.84Å
99	D	97.5	Very high	97	Very high	79 Å²	79	26.2 Å²	26.2	42%	0.422	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-10.6	-177.1	-63.4	-17	0	0	0	113.1	H101 R131 N159 F160 G161 A162	D99-H101 VanDerWaalsContact C-N 3.26Å; D99-H101 PolarHBondContact O-N 2.81Å; D99-R131 IonicContact OD1-CZ 3.11Å; D99-R131 IonicContact OD1-NH1 3.72Å; D99-R131 IonicContact OD1-NH2 2.8Å; D99-R131 PolarHBondContact OD1-NH2 2.8Å; D99-N159 WeakPolarHBondContact O-CB 3.35Å; D99-N159 PolarHBondContact O-OD1 2.91Å; D99-F160 HydrophobicContact CB-CB 4.34Å; D99-F160 CarbonylContact O-C 3.54Å; D99-F160 WeakPolarHBondContact O-CA 3.43Å; D99-F160 PolarHBondContact O-N 2.65Å; D99-G161 PolarHBondContact O-N 2.86Å; D99-A162 VanDerWaalsContact C-CB 3.46Å; D99-A162 HydrophobicContact CB-CB 4.01Å; D99-A162 PolarHBondContact O-N 3.26Å
100	S	97.3	Very high	97	Very high	7 Å²	7	25.7 Å²	25.7	5%	0.049	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-7	174.1	77.3	0	0	0	0	113.4	E96 D98 T164 T165 K166	E96-S100 WeakPolarHBondContact CB-OG 3.38Å; D98-S100 PolarHBondContact O-N 2.89Å; D98-S100 WeakPolarHBondContact OD1-CA 3.29Å; D98-S100 WeakPolarHBondContact OD1-CB 3.39Å; D98-S100 PolarHBondContact OD1-N 3.48Å; D98-S100 PolarHBondContact OD1-OG 2.92Å; S100-T164 WeakPolarHBondContact CA-O 3.38Å; S100-T164 WeakPolarHBondContact CB-O 3.26Å; S100-T165 VanDerWaalsContact O-CA 3.31Å; S100-T165 WeakPolarHBondContact O-CA 3.16Å; S100-K166 PolarHBondContact O-N 3.5Å; S100-K166 WeakPolarHBondContact OG-CB 3.43Å
101	H	98.2	Very high	97	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	-62.1	136.4	174.6	-165.9	-69.1	0	0	0	110.4	G95 E96 D98 D99 S103 N130 R131 D132 N159 F160	G95-H101 VanDerWaalsContact C-CD2 3.47Å; G95-H101 WeakPolarHBondContact CA-CD2 3.46Å; G95-H101 PolarHBondContact N-CD2 3.19Å; G95-H101 PolarHBondContact N-NE2 3.32Å; E96-H101 VanDerWaalsContact O-CB 3.32Å; E96-H101 WeakPolarHBondContact O-CB 3.44Å; E96-H101 PolarHBondContact O-CD2 2.91Å; E96-H101 VanDerWaalsContact O-CD2 3.25Å; D98-H101 PolarHBondContact O-N 2.84Å; D99-H101 VanDerWaalsContact C-N 3.26Å; D99-H101 PolarHBondContact O-N 2.81Å; H101-S103 PolarHBondContact O-N 2.96Å; H101-N130 PolarHBondContact CE1-O 3.09Å; H101-N130 VanDerWaalsContact CE1-O 3.3Å; H101-R131 HydrophobicContact CB-CG 4.12Å; H101-D132 PolarHBondContact NE2-N 2.88Å; H101-D132 PolarHBondContact NE2-O 2.62Å; H101-N159 CarbonylContact O-C 3.54Å; H101-N159 WeakPolarHBondContact O-CA 3.29Å; H101-N159 WeakPolarHBondContact O-CB 3.21Å; H101-F160 HydrophobicContact CB-CD2 3.84Å; H101-F160 HydrophobicContact CB-CE2 4.15Å; H101-F160 AromaticContact ND1-CE2 3.87Å; H101-F160 WeakPolarHBondContact O-CD2 3.27Å; H101-F160 PolarHBondContact O-N 3.2Å
102	P	98	Very high	96.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	136.5	175.8	27.5	-37.9	0	0	0	111.3	I93 L129 I156 T165 V167	I93-P102 HydrophobicContact CD1-CB 4.09Å; I93-P102 HydrophobicContact CD1-CG 3.62Å; I93-P102 HydrophobicContact CG1-CG 3.9Å; P102-L129 HydrophobicContact CB-CD1 3.81Å; P102-L129 HydrophobicContact CG-CD1 4.17Å; P102-L129 WeakPolarHBondContact O-CB 3.38Å; P102-I156 HydrophobicContact CB-CD1 4.41Å; P102-I156 HydrophobicContact CB-CG2 3.61Å; P102-T165 HydrophobicContact CB-CG2 4.13Å; P102-V167 HydrophobicContact CG-CG2 4.17Å
103	S	97.8	Very high	96.7	Very high	26 Å²	26	38.2 Å²	38.2	18%	0.182	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	-20.6	-178.3	72.3	0	0	0	0	113	H101 L129 K158 N159	H101-S103 PolarHBondContact O-N 2.96Å; S103-L129 PolarHBondContact O-N 2.93Å; S103-K158 PolarHBondContact N-O 3.11Å; S103-K158 WeakPolarHBondContact OG-CB 3.48Å; S103-K158 PolarHBondContact OG-O 3.49Å; S103-N159 VanDerWaalsContact CB-O 3.3Å; S103-N159 WeakPolarHBondContact CB-O 3.35Å; S103-N159 PolarHBondContact OG-O 3.34Å
104	E	98.4	Very high	96.7	Very high	36 Å²	36	38.2 Å²	38.2	17%	0.168	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	131.2	174.9	-173	-178.4	101.3	0	0	110.7	R106 T126 F127 S157 K158	E104-R106 IonicContact OE1-CZ 2.74Å; E104-R106 VanDerWaalsContact OE1-CZ 3.25Å; E104-R106 IonicContact OE1-NE 2.66Å; E104-R106 PolarHBondContact OE1-NE 3.33Å; E104-R106 IonicContact OE1-NH2 2.67Å; E104-R106 PolarHBondContact OE1-NH2 2.95Å; E104-T126 HydrophobicContact CG-CG2 3.87Å; E104-F127 WeakPolarHBondContact CA-O 3.43Å; E104-S157 WeakPolarHBondContact CB-OG 3.31Å; E104-S157 VanDerWaalsContact CD-OG 3.24Å; E104-S157 VanDerWaalsContact CG-OG 3.29Å; E104-S157 WeakPolarHBondContact CG-OG 3.21Å; E104-S157 PolarHBondContact O-N 2.65Å; E104-S157 PolarHBondContact OE1-OG 2.79Å; E104-K158 HydrophobicContact CB-CB 4.17Å; E104-K158 PolarHBondContact N-O 2.63Å
105	M	98.3	Very high	96.7	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	132.6	175.1	173.9	-179.3	72	0	0	110.1	I91 L107 T126 F127 L129 I154 H155 I156	I91-M105 HydrophobicContact CB-CE 4.14Å; I91-M105 HydrophobicContact CD1-CE 4Å; I91-M105 HydrophobicContact CD1-SD 4.39Å; I91-M105 HydrophobicContact CG2-CE 4.02Å; I91-M105 HydrophobicContact CG2-SD 4.14Å; M105-L107 HydrophobicContact CE-CD2 4.21Å; M105-L107 HydrophobicContact CG-CD2 4.06Å; M105-L107 HydrophobicContact SD-CD2 4.03Å; M105-T126 CarbonylContact O-C 3.58Å; M105-T126 WeakPolarHBondContact O-CA 3.46Å; M105-F127 HydrophobicContact CE-CB 4.37Å; M105-F127 HydrophobicContact CE-CD2 3.43Å; M105-F127 VanDerWaalsContact CE-CD2 3.43Å; M105-F127 HydrophobicContact CE-CE2 3.91Å; M105-F127 HydrophobicContact CE-CG 4.11Å; M105-F127 PolarHBondContact N-O 2.8Å; M105-F127 PolarHBondContact O-N 3.45Å; M105-L129 HydrophobicContact CB-CD1 3.83Å; M105-L129 HydrophobicContact CB-CD2 4.21Å; M105-L129 HydrophobicContact CB-CG 4.21Å; M105-L129 HydrophobicContact CE-CD2 4.42Å; M105-I154 HydrophobicContact CG-CG2 3.67Å; M105-I154 HydrophobicContact SD-CG2 3.64Å; M105-H155 CarbonylContact C-O 3.52Å; M105-H155 WeakPolarHBondContact CA-O 3.42Å; M105-I156 HydrophobicContact CB-CD1 3.81Å; M105-I156 HydrophobicContact CG-CD1 3.88Å; M105-I156 HydrophobicContact SD-CD1 4.41Å
106	R	98.5	Very high	96.7	Very high	60 Å²	60	42.9 Å²	42.9	23%	0.226	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	137	175.8	-59.2	175.8	-171.4	167.8	5.3	109.6	E104 Y108 P123 T126 H155	E104-R106 IonicContact OE1-CZ 2.74Å; E104-R106 VanDerWaalsContact OE1-CZ 3.25Å; E104-R106 IonicContact OE1-NE 2.66Å; E104-R106 PolarHBondContact OE1-NE 3.33Å; E104-R106 IonicContact OE1-NH2 2.67Å; E104-R106 PolarHBondContact OE1-NH2 2.95Å; R106-Y108 HydrophobicContact CB-CE2 3.74Å; R106-P123 HydrophobicContact CB-CB 3.98Å; R106-P123 HydrophobicContact CB-CG 4.47Å; R106-P123 HydrophobicContact CG-CB 4.43Å; R106-P123 HydrophobicContact CG-CG 4.39Å; R106-T126 HydrophobicContact CG-CG2 3.97Å; R106-H155 HydrophobicContact CB-CB 4.21Å; R106-H155 PolarHBondContact N-O 2.83Å; R106-H155 PolarHBondContact O-N 3.43Å
107	L	98.4	Very high	96.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	138.3	179.7	-58.2	-173.4	0	0	0	110.8	L88 I91 M105 D124 Q125 F127 T141 F146 L152 I154	L88-L107 HydrophobicContact CD2-CD1 4.48Å; I91-L107 HydrophobicContact CD1-CD1 3.48Å; I91-L107 VanDerWaalsContact CD1-CD1 3.48Å; I91-L107 HydrophobicContact CD1-CD2 3.59Å; I91-L107 HydrophobicContact CD1-CG 4.16Å; M105-L107 HydrophobicContact CE-CD2 4.21Å; M105-L107 HydrophobicContact CG-CD2 4.06Å; M105-L107 HydrophobicContact SD-CD2 4.03Å; L107-D124 WeakPolarHBondContact O-CB 3.21Å; L107-D124 PolarHBondContact O-N 2.82Å; L107-Q125 PolarHBondContact N-O 2.71Å; L107-F127 HydrophobicContact CD1-CD2 4.5Å; L107-F127 HydrophobicContact CD1-CE2 3.66Å; L107-F127 HydrophobicContact CG-CD2 4.49Å; L107-F127 HydrophobicContact CG-CE2 4.09Å; L107-T141 HydrophobicContact CD1-CG2 3.78Å; L107-F146 HydrophobicContact CB-CE1 3.94Å; L107-F146 HydrophobicContact CB-CZ 3.72Å; L107-F146 HydrophobicContact CD1-CE1 4.18Å; L107-F146 HydrophobicContact CD1-CE2 4.45Å; L107-F146 HydrophobicContact CD1-CZ 3.9Å; L107-L152 HydrophobicContact CB-CD1 4.45Å; L107-L152 HydrophobicContact CD2-CD1 4.46Å; L107-I154 HydrophobicContact CD2-CB 4.29Å; L107-I154 HydrophobicContact CD2-CD1 4.49Å; L107-I154 HydrophobicContact CD2-CG1 3.84Å; L107-I154 HydrophobicContact CD2-CG2 4.09Å
108	Y	98.3	Very high	96.9	Very high	1 Å²	1	44 Å²	44	0%	0.004	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	129	175.3	-56.7	-96.5	0	0	0	108.6	R106 M114 T119 R121 P123 S153 H155	R106-Y108 HydrophobicContact CB-CE2 3.74Å; Y108-M114 HydrophobicContact CD1-CE 3.58Å; Y108-M114 HydrophobicContact CD1-SD 4.16Å; Y108-M114 HydrophobicContact CD2-CE 3.54Å; Y108-M114 HydrophobicContact CD2-SD 3.59Å; Y108-M114 VanDerWaalsContact CD2-SD 3.59Å; Y108-M114 HydrophobicContact CE1-CE 3.62Å; Y108-M114 HydrophobicContact CE2-CE 3.61Å; Y108-M114 HydrophobicContact CE2-SD 4.22Å; Y108-M114 HydrophobicContact CG-CE 3.54Å; Y108-M114 HydrophobicContact CG-SD 3.56Å; Y108-M114 VanDerWaalsContact CG-SD 3.56Å; Y108-T119 PolarHBondContact OH-O 3.28Å; Y108-R121 HydrophobicContact CD1-CG 3.97Å; Y108-R121 HydrophobicContact CE1-CG 3.54Å; Y108-R121 PolarHBondContact OH-O 3.3Å; Y108-P123 HydrophobicContact CD1-CB 4.4Å; Y108-P123 VanDerWaalsContact CE1-CA 3.43Å; Y108-P123 HydrophobicContact CE1-CB 3.79Å; Y108-P123 HydrophobicContact CE2-CB 4.2Å; Y108-S153 PolarHBondContact N-O 2.84Å; Y108-S153 PolarHBondContact O-N 3.44Å; Y108-H155 HydrophobicContact CE2-CB 4.03Å
109	K	96.5	Very high	96.9	Very high	63 Å²	63	41.1 Å²	41.1	27%	0.274	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	143.1	179.8	80.4	-165.3	173.7	-142.9	0	111.3	I111 D124 R145 F146 V149	K109-I111 PolarHBondContact O-N 3.07Å; K109-D124 WeakPolarHBondContact CD-OD1 3.36Å; K109-D124 VanDerWaalsContact CE-OD1 3.23Å; K109-D124 WeakPolarHBondContact CE-OD1 3.32Å; K109-D124 WeakPolarHBondContact CG-OD2 3.29Å; K109-D124 PolarHBondContact N-OD2 2.77Å; K109-D124 IonicContact NZ-OD1 3.79Å; K109-D124 PolarHBondContact NZ-OD1 3.36Å; K109-R145 WeakPolarHBondContact CD-O 3.39Å; K109-R145 PolarHBondContact NZ-O 3.34Å; K109-R145 VanDerWaalsContact NZ-O 3.08Å; K109-F146 HydrophobicContact CB-CD1 4.26Å; K109-F146 HydrophobicContact CB-CE1 4.23Å; K109-V149 HydrophobicContact CB-CG2 4.42Å
110	N	96.4	Very high	96.8	Very high	39 Å²	39	45.7 Å²	45.7	21%	0.209	23%	0.232	C	C	.	.	S	Bend	trans	56.6	35.5	165.5	-60	-23	0	0	0	113.9	P112 N148 V149 Y150 H151	N110-P112 WeakPolarHBondContact O-CD 3.1Å; N110-N148 PolarHBondContact ND2-O 3.18Å; N110-V149 WeakPolarHBondContact OD1-CA 3.37Å; N110-Y150 HydrophobicContact CB-CD1 4.23Å; N110-Y150 HydrophobicContact CB-CE1 3.54Å; N110-Y150 HydrophobicContact CB-CE2 4.34Å; N110-Y150 VanDerWaalsContact CG-CD1 3.49Å; N110-Y150 PolarHBondContact O-OH 2.73Å; N110-Y150 WeakPolarHBondContact OD1-CD1 3.3Å; N110-Y150 WeakPolarHBondContact OD1-CE1 3.4Å; N110-Y150 PolarHBondContact OD1-N 2.96Å; N110-H151 WeakPolarHBondContact CA-O 3.47Å; N110-H151 PolarHBondContact N-O 3.22Å; N110-H151 PolarHBondContact OD1-N 2.98Å; N110-H151 PolarHBondContact OD1-O 3.41Å
111	I	95.7	Very high	96.6	Very high	37 Å²	37	50.1 Å²	50.1	19%	0.19	25%	0.247	C	C	.	.			trans	-117.1	92.2	171.8	-63.5	158.8	0	0	0	106.9	K109 M114 H151 S153	K109-I111 PolarHBondContact O-N 3.07Å; I111-M114 HydrophobicContact CG2-CB 4.19Å; I111-M114 HydrophobicContact CG2-CG 4.27Å; I111-H151 PolarHBondContact O-CE1 2.89Å; I111-H151 PolarHBondContact O-ND1 3.33Å; I111-S153 PolarHBondContact O-OG 3.3Å
112	P	93.4	Very high	96.6	Very high	70 Å²	70	58.7 Å²	58.7	46%	0.455	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	148.3	174.4	-20.4	33.6	0	0	0	111.2	N110 M114 Y150	N110-P112 WeakPolarHBondContact O-CD 3.1Å; P112-M114 VanDerWaalsContact C-N 3.27Å; P112-M114 PolarHBondContact O-N 3.19Å; P112-Y150 HydrophobicContact CG-CE2 4.4Å
113	Q	93.8	Very high	96.6	Very high	156 Å²	156	60.1 Å²	60.1	73%	0.729	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	38.9	173.3	-56.9	176.5	-8.3	0	0	113.7	S115	Q113-S115 PolarHBondContact O-N 2.99Å
114	M	96.4	Very high	96.6	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.005	30%	0.297	C	S	.	.			trans	-61.5	135.2	176.4	-163.4	176.3	176.5	0	0	110.2	L77 N79 Y108 I111 P112 D118 T119	L77-M114 HydrophobicContact CD1-SD 4.42Å; L77-M114 HydrophobicContact CD2-CB 4.28Å; L77-M114 HydrophobicContact CD2-CG 4.28Å; L77-M114 WeakPolarHBondContact CD2-O 3.44Å; N79-M114 PolarHBondContact ND2-O 2.87Å; N79-M114 VanDerWaalsContact OD1-CB 3.25Å; N79-M114 WeakPolarHBondContact OD1-CB 3.44Å; N79-M114 PolarHBondContact OD1-N 3.37Å; N79-M114 VanDerWaalsContact OD1-N 3.12Å; Y108-M114 HydrophobicContact CD1-CE 3.58Å; Y108-M114 HydrophobicContact CD1-SD 4.16Å; Y108-M114 HydrophobicContact CD2-CE 3.54Å; Y108-M114 HydrophobicContact CD2-SD 3.59Å; Y108-M114 VanDerWaalsContact CD2-SD 3.59Å; Y108-M114 HydrophobicContact CE1-CE 3.62Å; Y108-M114 HydrophobicContact CE2-CE 3.61Å; Y108-M114 HydrophobicContact CE2-SD 4.22Å; Y108-M114 HydrophobicContact CG-CE 3.54Å; Y108-M114 HydrophobicContact CG-SD 3.56Å; Y108-M114 VanDerWaalsContact CG-SD 3.56Å; I111-M114 HydrophobicContact CG2-CB 4.19Å; I111-M114 HydrophobicContact CG2-CG 4.27Å; P112-M114 VanDerWaalsContact C-N 3.27Å; P112-M114 PolarHBondContact O-N 3.19Å; M114-D118 VanDerWaalsContact CE-C 3.46Å; M114-D118 HydrophobicContact CE-CB 3.82Å; M114-D118 WeakPolarHBondContact CE-O 3.49Å; M114-D118 HydrophobicContact CG-CB 3.54Å; M114-T119 HydrophobicContact CE-CG2 3.83Å
115	S	97.6	Very high	96.6	Very high	40 Å²	40	59.9 Å²	59.9	28%	0.28	29%	0.294	S	S	.	.			trans	-106.9	174.6	174.9	66.8	0	0	0	0	111.2	L77 Q113 D117 D118	L77-S115 VanDerWaalsContact CD2-C 3.5Å; L77-S115 WeakPolarHBondContact CD2-O 3.41Å; Q113-S115 PolarHBondContact O-N 2.99Å; S115-D117 VanDerWaalsContact C-N 3.35Å; S115-D118 WeakPolarHBondContact CB-OD2 3.27Å; S115-D118 PolarHBondContact N-OD2 3.36Å; S115-D118 WeakPolarHBondContact O-CB 3.35Å; S115-D118 PolarHBondContact O-N 3.08Å; S115-D118 VanDerWaalsContact OG-CG 3.27Å; S115-D118 PolarHBondContact OG-OD2 2.79Å
116	F	97.3	Very high	96.6	Very high	62 Å²	62	63 Å²	63	27%	0.272	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-37.4	176	-69.3	-70.3	0	0	0	112.6	L43 N44 E75 L77 D118 T119	L43-F116 HydrophobicContact CB-CE2 3.63Å; L43-F116 HydrophobicContact CB-CZ 3.83Å; L43-F116 HydrophobicContact CD1-CD2 4.47Å; L43-F116 HydrophobicContact CD1-CE2 4.25Å; N44-F116 HydrophobicContact CB-CE2 4.05Å; N44-F116 HydrophobicContact CB-CZ 3.67Å; E75-F116 HydrophobicContact CB-CD1 4.44Å; E75-F116 HydrophobicContact CB-CE1 3.85Å; L77-F116 HydrophobicContact CB-CD1 4.44Å; L77-F116 HydrophobicContact CB-CE1 3.8Å; L77-F116 HydrophobicContact CB-CZ 4Å; F116-D118 PolarHBondContact O-N 3.1Å; F116-T119 WeakPolarHBondContact O-CB 3.36Å; F116-T119 WeakPolarHBondContact O-CG2 3.42Å; F116-T119 PolarHBondContact O-N 2.86Å; F116-T119 PolarHBondContact O-OG1 2.99Å
117	D	96.4	Very high	96.5	Very high	130 Å²	130	61.1 Å²	61.1	70%	0.695	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-58	-35	174.2	-61.5	-15.5	0	0	0	111.5	S115 T119 E120	S115-D117 VanDerWaalsContact C-N 3.35Å; D117-T119 PolarHBondContact O-N 2.86Å; D117-E120 PolarHBondContact O-N 3.14Å
118	D	96.1	Very high	96.5	Very high	44 Å²	44	65.8 Å²	65.8	24%	0.235	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-68.1	-21.4	178.2	-63.9	-51.3	0	0	0	112.7	M114 S115 F116 E120 R121	M114-D118 VanDerWaalsContact CE-C 3.46Å; M114-D118 HydrophobicContact CE-CB 3.82Å; M114-D118 WeakPolarHBondContact CE-O 3.49Å; M114-D118 HydrophobicContact CG-CB 3.54Å; S115-D118 WeakPolarHBondContact CB-OD2 3.27Å; S115-D118 PolarHBondContact N-OD2 3.36Å; S115-D118 WeakPolarHBondContact O-CB 3.35Å; S115-D118 PolarHBondContact O-N 3.08Å; S115-D118 VanDerWaalsContact OG-CG 3.27Å; S115-D118 PolarHBondContact OG-OD2 2.79Å; F116-D118 PolarHBondContact O-N 3.1Å; D118-E120 PolarHBondContact O-N 2.96Å; D118-R121 WeakPolarHBondContact O-CD 3.05Å; D118-R121 WeakPolarHBondContact O-CG 3.16Å; D118-R121 PolarHBondContact O-N 2.74Å; D118-R121 PolarHBondContact O-NE 2.67Å; D118-R121 IonicContact OD1-CZ 3.94Å; D118-R121 IonicContact OD1-NH2 2.6Å; D118-R121 PolarHBondContact OD1-NH2 2.68Å
119	T	95.2	Very high	96.5	Very high	11 Å²	11	66 Å²	66	7%	0.067	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-72.7	-13.7	-177.1	72.1	0	0	0	0	113.5	L77 Y108 M114 F116 D117 R121 H155	L77-T119 HydrophobicContact CD2-CG2 4.34Å; Y108-T119 PolarHBondContact OH-O 3.28Å; M114-T119 HydrophobicContact CE-CG2 3.83Å; F116-T119 WeakPolarHBondContact O-CB 3.36Å; F116-T119 WeakPolarHBondContact O-CG2 3.42Å; F116-T119 PolarHBondContact O-N 2.86Å; F116-T119 PolarHBondContact O-OG1 2.99Å; D117-T119 PolarHBondContact O-N 2.86Å; T119-R121 PolarHBondContact O-N 3.29Å; T119-H155 HydrophobicContact CG2-CB 4.28Å
120	E	94.2	Very high	96.5	Very high	175 Å²	175	67.9 Å²	67.9	82%	0.818	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-65.9	-20	174.1	-62.4	-171	162.9	0	0	112.8	D117 D118	D117-E120 PolarHBondContact O-N 3.14Å; D118-E120 PolarHBondContact O-N 2.96Å
121	R	94.4	Very high	96.5	Very high	101 Å²	101	70.6 Å²	70.6	38%	0.381	36%	0.361	S	S	.	.	S	Bend	trans	-69.8	159.4	175.9	81.5	-171.5	64.9	-166.4	-4.7	111.4	Y108 D118 T119 P123	Y108-R121 HydrophobicContact CD1-CG 3.97Å; Y108-R121 HydrophobicContact CE1-CG 3.54Å; Y108-R121 PolarHBondContact OH-O 3.3Å; D118-R121 WeakPolarHBondContact O-CD 3.05Å; D118-R121 WeakPolarHBondContact O-CG 3.16Å; D118-R121 PolarHBondContact O-N 2.74Å; D118-R121 PolarHBondContact O-NE 2.67Å; D118-R121 IonicContact OD1-CZ 3.94Å; D118-R121 IonicContact OD1-NH2 2.6Å; D118-R121 PolarHBondContact OD1-NH2 2.68Å; T119-R121 PolarHBondContact O-N 3.29Å; R121-P123 WeakPolarHBondContact O-CD 3.28Å
122	E	96.7	Very high	96.3	Very high	180 Å²	180	69.2 Å²	69.2	84%	0.841	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-60.2	122.5	174.9	-170	-176.5	171.4	0	0	110.9
123	P	97.9	Very high	96.2	Very high	29 Å²	29	69 Å²	69	19%	0.188	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-71.8	148.1	175.2	27.7	-32.8	0	0	0	112	R106 Y108 R121 Q125 T126	R106-P123 HydrophobicContact CB-CB 3.98Å; R106-P123 HydrophobicContact CB-CG 4.47Å; R106-P123 HydrophobicContact CG-CB 4.43Å; R106-P123 HydrophobicContact CG-CG 4.39Å; Y108-P123 HydrophobicContact CD1-CB 4.4Å; Y108-P123 VanDerWaalsContact CE1-CA 3.43Å; Y108-P123 HydrophobicContact CE1-CB 3.79Å; Y108-P123 HydrophobicContact CE2-CB 4.2Å; R121-P123 WeakPolarHBondContact O-CD 3.28Å; P123-Q125 PolarHBondContact O-N 3.23Å; P123-T126 WeakPolarHBondContact CG-OG1 3.31Å
124	D	98	Very high	96.1	Very high	35 Å²	35	64.6 Å²	64.6	19%	0.187	33%	0.332	C	S	.	.	S	Bend	trans	-61.1	-34.7	174.1	-80	-81.8	0	0	0	111.4	L107 K109 R145 F146	L107-D124 WeakPolarHBondContact O-CB 3.21Å; L107-D124 PolarHBondContact O-N 2.82Å; K109-D124 WeakPolarHBondContact CD-OD1 3.36Å; K109-D124 VanDerWaalsContact CE-OD1 3.23Å; K109-D124 WeakPolarHBondContact CE-OD1 3.32Å; K109-D124 WeakPolarHBondContact CG-OD2 3.29Å; K109-D124 PolarHBondContact N-OD2 2.77Å; K109-D124 IonicContact NZ-OD1 3.79Å; K109-D124 PolarHBondContact NZ-OD1 3.36Å; D124-R145 WeakPolarHBondContact O-CD 3.27Å; D124-R145 PolarHBondContact O-NH1 3.27Å; D124-F146 HydrophobicContact CB-CE1 4.07Å; D124-F146 HydrophobicContact CB-CE2 4.29Å; D124-F146 HydrophobicContact CB-CZ 3.55Å
125	Q	98.4	Very high	95.7	Very high	22 Å²	22	64.6 Å²	64.6	10%	0.103	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	137.5	174	-171.1	162.1	-17.2	0	0	111.4	L107 P123 F127 A140 F146	L107-Q125 PolarHBondContact N-O 2.71Å; P123-Q125 PolarHBondContact O-N 3.23Å; Q125-F127 HydrophobicContact CB-CE2 4.39Å; Q125-F127 VanDerWaalsContact CD-CZ 3.42Å; Q125-F127 HydrophobicContact CG-CD2 4.39Å; Q125-F127 HydrophobicContact CG-CE1 4.29Å; Q125-F127 HydrophobicContact CG-CE2 3.78Å; Q125-F127 HydrophobicContact CG-CZ 3.76Å; Q125-A140 PolarHBondContact NE2-O 2.98Å; Q125-A140 VanDerWaalsContact NE2-O 3.09Å; Q125-F146 HydrophobicContact CB-CE2 3.76Å; Q125-F146 HydrophobicContact CB-CZ 3.94Å
126	T	98.2	Very high	95.3	Very high	66 Å²	66	68.8 Å²	68.8	41%	0.405	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	144.6	172.6	-54.5	0	0	0	0	109.7	E104 M105 R106 P123	E104-T126 HydrophobicContact CG-CG2 3.87Å; M105-T126 CarbonylContact O-C 3.58Å; M105-T126 WeakPolarHBondContact O-CA 3.46Å; R106-T126 HydrophobicContact CG-CG2 3.97Å; P123-T126 WeakPolarHBondContact CG-OG1 3.31Å
127	F	98.2	Very high	95.2	Very high	21 Å²	21	69.1 Å²	69.1	9%	0.092	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	134	175.2	-62.3	-83.3	0	0	0	110.2	E104 M105 L107 Q125 L129 Y139 A140 T141	E104-F127 WeakPolarHBondContact CA-O 3.43Å; M105-F127 HydrophobicContact CE-CB 4.37Å; M105-F127 HydrophobicContact CE-CD2 3.43Å; M105-F127 VanDerWaalsContact CE-CD2 3.43Å; M105-F127 HydrophobicContact CE-CE2 3.91Å; M105-F127 HydrophobicContact CE-CG 4.11Å; M105-F127 PolarHBondContact N-O 2.8Å; M105-F127 PolarHBondContact O-N 3.45Å; L107-F127 HydrophobicContact CD1-CD2 4.5Å; L107-F127 HydrophobicContact CD1-CE2 3.66Å; L107-F127 HydrophobicContact CG-CD2 4.49Å; L107-F127 HydrophobicContact CG-CE2 4.09Å; Q125-F127 HydrophobicContact CB-CE2 4.39Å; Q125-F127 VanDerWaalsContact CD-CZ 3.42Å; Q125-F127 HydrophobicContact CG-CD2 4.39Å; Q125-F127 HydrophobicContact CG-CE1 4.29Å; Q125-F127 HydrophobicContact CG-CE2 3.78Å; Q125-F127 HydrophobicContact CG-CZ 3.76Å; F127-L129 HydrophobicContact CB-CD2 3.99Å; F127-Y139 HydrophobicContact CB-CD1 4.26Å; F127-Y139 AromaticContact CD1-CD1 4Å; F127-Y139 HydrophobicContact CD1-CD1 4Å; F127-Y139 HydrophobicContact CD1-CG 4.26Å; F127-Y139 HydrophobicContact CG-CD1 4.38Å; F127-A140 VanDerWaalsContact CE1-O 3.32Å; F127-A140 WeakPolarHBondContact CE1-O 3.05Å; F127-A140 WeakPolarHBondContact CZ-O 3.45Å; F127-T141 HydrophobicContact CE2-CG2 4.31Å; F127-T141 HydrophobicContact CZ-CG2 3.96Å
128	S	97.8	Very high	95.1	Very high	99 Å²	99	66.3 Å²	66.3	69%	0.692	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	120.5	159.9	-56.6	0	0	0	0	107.8
129	L	97.5	Very high	95.1	Very high	6 Å²	6	65.3 Å²	65.3	3%	0.031	33%	0.328	C	S	.	.			trans	-94.6	149.3	-175.3	-54.1	175.3	0	0	0	110.3	I93 P102 S103 M105 F127 Y139 F160	I93-L129 HydrophobicContact CD1-CD1 4.35Å; I93-L129 HydrophobicContact CG2-CD1 3.7Å; I93-L129 HydrophobicContact CG2-CD2 3.93Å; I93-L129 HydrophobicContact CG2-CG 4.35Å; P102-L129 HydrophobicContact CB-CD1 3.81Å; P102-L129 HydrophobicContact CG-CD1 4.17Å; P102-L129 WeakPolarHBondContact O-CB 3.38Å; S103-L129 PolarHBondContact O-N 2.93Å; M105-L129 HydrophobicContact CB-CD1 3.83Å; M105-L129 HydrophobicContact CB-CD2 4.21Å; M105-L129 HydrophobicContact CB-CG 4.21Å; M105-L129 HydrophobicContact CE-CD2 4.42Å; F127-L129 HydrophobicContact CB-CD2 3.99Å; L129-Y139 WeakPolarHBondContact CA-OH 3.43Å; L129-Y139 HydrophobicContact CD2-CD1 3.96Å; L129-Y139 HydrophobicContact CD2-CD2 3.81Å; L129-Y139 HydrophobicContact CD2-CE1 3.65Å; L129-Y139 HydrophobicContact CD2-CE2 3.52Å; L129-Y139 HydrophobicContact CD2-CG 4.03Å; L129-Y139 VanDerWaalsContact CD2-CZ 3.44Å; L129-F160 WeakPolarHBondContact O-CZ 3.19Å
130	N	96.6	Very high	95.2	Very high	102 Å²	102	67.7 Å²	67.7	55%	0.545	35%	0.348	S	S	.	.			trans	-106.2	158.6	166	-64.4	-67.1	0	0	0	109.4	H101 D132 L137 Y139	H101-N130 PolarHBondContact CE1-O 3.09Å; H101-N130 VanDerWaalsContact CE1-O 3.3Å; N130-D132 PolarHBondContact O-N 2.69Å; N130-L137 HydrophobicContact CB-CD1 3.67Å; N130-Y139 PolarHBondContact N-OH 3.45Å
131	R	95.8	Very high	95.3	Very high	96 Å²	96	59.7 Å²	59.7	36%	0.362	31%	0.312	S	S	.	.			trans	-61	128.5	173.6	-60.8	-175.8	-172.1	-173.9	-1.3	110.1	D99 H101 F160	D99-R131 IonicContact OD1-CZ 3.11Å; D99-R131 IonicContact OD1-NH1 3.72Å; D99-R131 IonicContact OD1-NH2 2.8Å; D99-R131 PolarHBondContact OD1-NH2 2.8Å; H101-R131 HydrophobicContact CB-CG 4.12Å; R131-F160 HydrophobicContact CG-CD2 3.91Å; R131-F160 HydrophobicContact CG-CE2 3.53Å; R131-F160 HydrophobicContact CG-CZ 3.93Å
132	D	93.2	Very high	95.4	Very high	7 Å²	7	59.8 Å²	59.8	4%	0.037	32%	0.315	C	S	.	.			trans	-143.2	111.9	179.6	-174.5	3	0	0	0	110.8	M94 H101 N130 T134 G135 E136 L137	M94-D132 WeakPolarHBondContact CA-O 3.42Å; H101-D132 PolarHBondContact NE2-N 2.88Å; H101-D132 PolarHBondContact NE2-O 2.62Å; N130-D132 PolarHBondContact O-N 2.69Å; D132-T134 PolarHBondContact OD1-N 2.87Å; D132-T134 PolarHBondContact OD1-OG1 2.76Å; D132-G135 PolarHBondContact OD1-N 2.72Å; D132-G135 WeakPolarHBondContact OD2-CA 3.44Å; D132-G135 PolarHBondContact OD2-N 3.02Å; D132-E136 PolarHBondContact OD1-N 2.79Å; D132-E136 PolarHBondContact OD2-N 3.39Å; D132-L137 HydrophobicContact CB-CB 4.23Å; D132-L137 HydrophobicContact CB-CD1 4.03Å; D132-L137 HydrophobicContact CB-CG 4.08Å; D132-L137 WeakPolarHBondContact OD2-CB 3.29Å; D132-L137 PolarHBondContact OD2-N 2.79Å
133	L	91.5	Very high	95.2	Very high	65 Å²	65	54.9 Å²	54.9	34%	0.34	29%	0.293	S	S	.	.	S	Bend	trans	-95.4	-13.8	178.7	-71.9	71.7	0	0	0	112.6	M94 D97	M94-L133 WeakPolarHBondContact CE-O 3.45Å; D97-L133 HydrophobicContact CB-CD1 3.9Å; D97-L133 HydrophobicContact CB-CD2 3.57Å; D97-L133 HydrophobicContact CB-CG 4Å
134	T	90.3	Very high	95	Very high	64 Å²	64	58.5 Å²	58.5	39%	0.393	32%	0.319	S	S	.	.	S	Bend	trans	-112	-14.4	-169.9	58.8	0	0	0	0	113.1	R61 D132 E136	R61-T134 PolarHBondContact NE-O 3.29Å; R61-T134 VanDerWaalsContact NE-O 3.15Å; D132-T134 PolarHBondContact OD1-N 2.87Å; D132-T134 PolarHBondContact OD1-OG1 2.76Å; T134-E136 VanDerWaalsContact OG1-CD 3.23Å; T134-E136 VanDerWaalsContact OG1-CG 3.29Å; T134-E136 WeakPolarHBondContact OG1-CG 3.31Å; T134-E136 PolarHBondContact OG1-OE1 3.04Å; T134-E136 VanDerWaalsContact OG1-OE1 3.12Å
135	G	89.2	Confident	94.8	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.01	33%	0.328	C	S	.	.	S	Bend	trans	73.9	41.7	-176	0	0	0	0	0	110.9	W58 I92 D132	W58-G135 WeakPolarHBondContact CH2-O 3.29Å; I92-G135 WeakPolarHBondContact CD1-O 3.31Å; D132-G135 PolarHBondContact OD1-N 2.72Å; D132-G135 WeakPolarHBondContact OD2-CA 3.44Å; D132-G135 PolarHBondContact OD2-N 3.02Å
136	E	88.9	Confident	94.8	Very high	129 Å²	129	60.5 Å²	60.5	60%	0.603	32%	0.323	S	S	*	.			trans	-95.4	-25.4	177.6	-77.3	174.4	-152.4	0	0	112.7	D132 T134 E138	D132-E136 PolarHBondContact OD1-N 2.79Å; D132-E136 PolarHBondContact OD2-N 3.39Å; T134-E136 VanDerWaalsContact OG1-CD 3.23Å; T134-E136 VanDerWaalsContact OG1-CG 3.29Å; T134-E136 WeakPolarHBondContact OG1-CG 3.31Å; T134-E136 PolarHBondContact OG1-OE1 3.04Å; T134-E136 VanDerWaalsContact OG1-OE1 3.12Å; E136-E138 PolarHBondContact O-N 3.31Å
137	L	93.8	Very high	94.6	Very high	68 Å²	68	60.3 Å²	60.3	36%	0.356	33%	0.325	S	S	.	.			trans	-87.5	98.2	-176.2	-58.4	-171.5	0	0	0	110.5	N130 D132 Y139	N130-L137 HydrophobicContact CB-CD1 3.67Å; D132-L137 HydrophobicContact CB-CB 4.23Å; D132-L137 HydrophobicContact CB-CD1 4.03Å; D132-L137 HydrophobicContact CB-CG 4.08Å; D132-L137 WeakPolarHBondContact OD2-CB 3.29Å; D132-L137 PolarHBondContact OD2-N 2.79Å; L137-Y139 HydrophobicContact CB-CE2 4.22Å; L137-Y139 WeakPolarHBondContact O-CE2 3.4Å
138	E	94.9	Very high	94.4	Very high	72 Å²	72	63.4 Å²	63.4	34%	0.336	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	128.9	172.9	-172.1	-176.9	143.4	0	0	111.8	Y29 I92 E136 R173	Y29-E138 VanDerWaalsContact OH-CG 3.29Å; Y29-E138 WeakPolarHBondContact OH-CG 3.42Å; Y29-E138 PolarHBondContact OH-OE2 2.78Å; I92-E138 HydrophobicContact CD1-CB 4.42Å; I92-E138 HydrophobicContact CG1-CB 4.09Å; I92-E138 HydrophobicContact CG1-CG 4.31Å; E136-E138 PolarHBondContact O-N 3.31Å; E138-R173 VanDerWaalsContact CD-NE 3.31Å; E138-R173 IonicContact OE1-CZ 3.13Å; E138-R173 IonicContact OE1-NE 2.91Å; E138-R173 PolarHBondContact OE1-NE 2.86Å; E138-R173 IonicContact OE1-NH2 3.29Å; E138-R173 PolarHBondContact OE1-NH2 3.37Å; E138-R173 IonicContact OE2-NE 3.25Å; E138-R173 PolarHBondContact OE2-NE 2.85Å
139	Y	97.1	Very high	94.3	Very high	23 Å²	23	58.7 Å²	58.7	9%	0.09	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	104.3	175.1	-60.7	-84.2	0	0	0	110.2	G90 I91 I93 F127 L129 N130 L137 T141	G90-Y139 VanDerWaalsContact CA-O 3.27Å; G90-Y139 WeakPolarHBondContact CA-O 3.48Å; I91-Y139 PolarHBondContact N-O 2.82Å; I91-Y139 PolarHBondContact O-N 2.91Å; I93-Y139 HydrophobicContact CG2-CE2 4.19Å; F127-Y139 HydrophobicContact CB-CD1 4.26Å; F127-Y139 AromaticContact CD1-CD1 4Å; F127-Y139 HydrophobicContact CD1-CD1 4Å; F127-Y139 HydrophobicContact CD1-CG 4.26Å; F127-Y139 HydrophobicContact CG-CD1 4.38Å; L129-Y139 WeakPolarHBondContact CA-OH 3.43Å; L129-Y139 HydrophobicContact CD2-CD1 3.96Å; L129-Y139 HydrophobicContact CD2-CD2 3.81Å; L129-Y139 HydrophobicContact CD2-CE1 3.65Å; L129-Y139 HydrophobicContact CD2-CE2 3.52Å; L129-Y139 HydrophobicContact CD2-CG 4.03Å; L129-Y139 VanDerWaalsContact CD2-CZ 3.44Å; N130-Y139 PolarHBondContact N-OH 3.45Å; L137-Y139 HydrophobicContact CB-CE2 4.22Å; L137-Y139 WeakPolarHBondContact O-CE2 3.4Å; Y139-T141 PolarHBondContact O-N 3.02Å
140	A	96.8	Very high	94.2	Very high	61 Å²	61	63.4 Å²	63.4	50%	0.504	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	126.9	-178.3	0	0	0	0	0	112.3	Q125 F127	Q125-A140 PolarHBondContact NE2-O 2.98Å; Q125-A140 VanDerWaalsContact NE2-O 3.09Å; F127-A140 VanDerWaalsContact CE1-O 3.32Å; F127-A140 WeakPolarHBondContact CE1-O 3.05Å; F127-A140 WeakPolarHBondContact CZ-O 3.45Å
141	T	96.5	Very high	94.3	Very high	7 Å²	7	59.4 Å²	59.4	4%	0.043	31%	0.305	C	S	.	.			trans	-88.8	147	175.4	54.2	0	0	0	0	110.6	L88 K89 I91 L107 F127 Y139 I143 F146	L88-T141 HydrophobicContact CD2-CG2 3.97Å; L88-T141 HydrophobicContact CG-CG2 4.16Å; L88-T141 PolarHBondContact O-OG1 2.86Å; K89-T141 VanDerWaalsContact CA-OG1 3.29Å; K89-T141 WeakPolarHBondContact CA-OG1 3.45Å; K89-T141 PolarHBondContact N-OG1 2.95Å; K89-T141 PolarHBondContact O-N 3.29Å; K89-T141 PolarHBondContact O-OG1 2.78Å; I91-T141 HydrophobicContact CD1-CG2 4.4Å; I91-T141 HydrophobicContact CG1-CG2 4.22Å; L107-T141 HydrophobicContact CD1-CG2 3.78Å; F127-T141 HydrophobicContact CE2-CG2 4.31Å; F127-T141 HydrophobicContact CZ-CG2 3.96Å; Y139-T141 PolarHBondContact O-N 3.02Å; T141-I143 PolarHBondContact O-N 2.85Å; T141-F146 HydrophobicContact CG2-CD2 4.47Å
142	K	96.2	Very high	94.4	Very high	103 Å²	103	54.8 Å²	54.8	45%	0.448	29%	0.288	S	S	.	.			trans	-68.1	102.1	174.1	-70.2	176.3	-176	174.7	0	109.3	S144 R145 F146	K142-S144 PolarHBondContact O-N 3.01Å; K142-R145 HydrophobicContact CB-CB 4.3Å; K142-R145 HydrophobicContact CB-CG 4.19Å; K142-R145 WeakPolarHBondContact O-CA 3.09Å; K142-R145 WeakPolarHBondContact O-CB 3.47Å; K142-R145 PolarHBondContact O-N 3.02Å; K142-F146 PolarHBondContact O-N 3.4Å
143	I	92.1	Very high	94.6	Very high	77 Å²	77	54.5 Å²	54.5	40%	0.395	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-37.9	-176.5	-60.9	176.1	0	0	0	112	K87 K89 T141 R145 F146 S147	K87-I143 HydrophobicContact CD-CG2 3.96Å; K87-I143 HydrophobicContact CG-CG2 4.02Å; K89-I143 HydrophobicContact CG-CD1 4.28Å; K89-I143 HydrophobicContact CG-CG1 4.35Å; T141-I143 PolarHBondContact O-N 2.85Å; I143-R145 PolarHBondContact O-N 3.2Å; I143-F146 CarbonylContact O-C 3.54Å; I143-F146 PolarHBondContact O-N 3.34Å; I143-S147 WeakPolarHBondContact O-CB 3.44Å; I143-S147 PolarHBondContact O-N 2.8Å; I143-S147 VanDerWaalsContact O-N 3.09Å
144	S	94	Very high	95	Very high	104 Å²	104	51.4 Å²	51.4	73%	0.727	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-27.4	177.5	57.1	0	0	0	0	114	K142	K142-S144 PolarHBondContact O-N 3.01Å
145	R	94.8	Very high	95.4	Very high	100 Å²	100	48.3 Å²	48.3	38%	0.377	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-32.4	177.4	-67.1	-174	179	169.2	-6.4	112.7	K109 D124 K142 I143	K109-R145 WeakPolarHBondContact CD-O 3.39Å; K109-R145 PolarHBondContact NZ-O 3.34Å; K109-R145 VanDerWaalsContact NZ-O 3.08Å; D124-R145 WeakPolarHBondContact O-CD 3.27Å; D124-R145 PolarHBondContact O-NH1 3.27Å; K142-R145 HydrophobicContact CB-CB 4.3Å; K142-R145 HydrophobicContact CB-CG 4.19Å; K142-R145 WeakPolarHBondContact O-CA 3.09Å; K142-R145 WeakPolarHBondContact O-CB 3.47Å; K142-R145 PolarHBondContact O-N 3.02Å; I143-R145 PolarHBondContact O-N 3.2Å
146	F	97.2	Very high	95.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.251	C	S	.	.	S	Bend	trans	-114.7	35.3	-173.3	-61.4	-86	0	0	0	113.3	K87 L88 L107 K109 D124 Q125 T141 K142 I143 V149 L152	K87-F146 CarbonylContact C-O 3.51Å; K87-F146 VanDerWaalsContact CA-O 3.29Å; K87-F146 WeakPolarHBondContact CA-O 3.4Å; L88-F146 HydrophobicContact CB-CB 3.87Å; L88-F146 HydrophobicContact CD2-CD1 4.37Å; L88-F146 PolarHBondContact N-O 2.55Å; L107-F146 HydrophobicContact CB-CE1 3.94Å; L107-F146 HydrophobicContact CB-CZ 3.72Å; L107-F146 HydrophobicContact CD1-CE1 4.18Å; L107-F146 HydrophobicContact CD1-CE2 4.45Å; L107-F146 HydrophobicContact CD1-CZ 3.9Å; K109-F146 HydrophobicContact CB-CD1 4.26Å; K109-F146 HydrophobicContact CB-CE1 4.23Å; D124-F146 HydrophobicContact CB-CE1 4.07Å; D124-F146 HydrophobicContact CB-CE2 4.29Å; D124-F146 HydrophobicContact CB-CZ 3.55Å; Q125-F146 HydrophobicContact CB-CE2 3.76Å; Q125-F146 HydrophobicContact CB-CZ 3.94Å; T141-F146 HydrophobicContact CG2-CD2 4.47Å; K142-F146 PolarHBondContact O-N 3.4Å; I143-F146 CarbonylContact O-C 3.54Å; I143-F146 PolarHBondContact O-N 3.34Å; F146-V149 HydrophobicContact CB-CG2 3.87Å; F146-V149 HydrophobicContact CD1-CG2 3.96Å; F146-V149 HydrophobicContact CG-CG2 4.43Å; F146-L152 HydrophobicContact CE1-CD1 4.31Å
147	S	94.2	Very high	96.2	Very high	62 Å²	62	42.5 Å²	42.5	43%	0.434	22%	0.224	S	C	.	.	S	Bend	trans	-81.9	-20.2	-179.4	56.1	0	0	0	0	114.9	I143	I143-S147 WeakPolarHBondContact O-CB 3.44Å; I143-S147 PolarHBondContact O-N 2.8Å; I143-S147 VanDerWaalsContact O-N 3.09Å
148	N	94.1	Very high	96.4	Very high	85 Å²	85	44.1 Å²	44.1	46%	0.455	23%	0.228	S	C	.	.	S	Bend	trans	-140.6	69.8	-175.2	-171.9	49.1	0	0	0	110.3	N85 N110	N85-N148 PolarHBondContact ND2-OD1 2.9Å; N85-N148 PolarHBondContact OD1-OD1 2.83Å; N85-N148 VanDerWaalsContact OD1-OD1 3.09Å; N110-N148 PolarHBondContact ND2-O 3.18Å
149	V	96.6	Very high	96.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	114.5	-177.8	-172	0	0	0	0	108.9	F82 V86 K109 N110 F146 H151 L152	F82-V149 HydrophobicContact CD2-CG1 4.22Å; F82-V149 HydrophobicContact CE2-CG1 3.85Å; V86-V149 HydrophobicContact CB-CB 4.46Å; V86-V149 WeakPolarHBondContact CB-O 3.35Å; V86-V149 PolarHBondContact N-O 2.96Å; V86-V149 WeakPolarHBondContact O-CB 3.24Å; V86-V149 PolarHBondContact O-N 2.82Å; K109-V149 HydrophobicContact CB-CG2 4.42Å; N110-V149 WeakPolarHBondContact OD1-CA 3.37Å; F146-V149 HydrophobicContact CB-CG2 3.87Å; F146-V149 HydrophobicContact CD1-CG2 3.96Å; F146-V149 HydrophobicContact CG-CG2 4.43Å; V149-H151 VanDerWaalsContact CG1-O 3.28Å; V149-H151 WeakPolarHBondContact CG1-O 3.47Å; V149-L152 HydrophobicContact CG1-CB 3.99Å
150	Y	95.6	Very high	96.6	Very high	105 Å²	105	43.8 Å²	43.8	41%	0.412	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	-17.1	171.4	64.1	-98.7	0	0	0	112.1	F82 N110 P112	F82-Y150 PolarHBondContact N-O 2.85Å; N110-Y150 HydrophobicContact CB-CD1 4.23Å; N110-Y150 HydrophobicContact CB-CE1 3.54Å; N110-Y150 HydrophobicContact CB-CE2 4.34Å; N110-Y150 VanDerWaalsContact CG-CD1 3.49Å; N110-Y150 PolarHBondContact O-OH 2.73Å; N110-Y150 WeakPolarHBondContact OD1-CD1 3.3Å; N110-Y150 WeakPolarHBondContact OD1-CE1 3.4Å; N110-Y150 PolarHBondContact OD1-N 2.96Å; P112-Y150 HydrophobicContact CG-CE2 4.4Å
151	H	97.4	Very high	96.5	Very high	18 Å²	18	43.9 Å²	43.9	8%	0.083	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	131.2	171.8	-168.8	-78.8	0	0	0	108.6	I80 N110 I111 V149	I80-H151 WeakPolarHBondContact O-CA 3.28Å; N110-H151 WeakPolarHBondContact CA-O 3.47Å; N110-H151 PolarHBondContact N-O 3.22Å; N110-H151 PolarHBondContact OD1-N 2.98Å; N110-H151 PolarHBondContact OD1-O 3.41Å; I111-H151 PolarHBondContact O-CE1 2.89Å; I111-H151 PolarHBondContact O-ND1 3.33Å; V149-H151 VanDerWaalsContact CG1-O 3.28Å; V149-H151 WeakPolarHBondContact CG1-O 3.47Å
152	L	98.2	Very high	96.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	130.1	176	176.7	68.4	0	0	0	108.8	I80 F82 L88 L107 F146 V149 I154 L172	I80-L152 WeakPolarHBondContact CA-O 3.21Å; I80-L152 HydrophobicContact CB-CB 4.38Å; I80-L152 VanDerWaalsContact CB-O 3.24Å; I80-L152 WeakPolarHBondContact CB-O 3.5Å; I80-L152 HydrophobicContact CD1-CD2 4.3Å; I80-L152 PolarHBondContact N-O 3.13Å; I80-L152 PolarHBondContact O-N 2.59Å; F82-L152 HydrophobicContact CE2-CB 3.63Å; F82-L152 HydrophobicContact CZ-CB 4.05Å; F82-L152 HydrophobicContact CZ-CD2 4.33Å; L88-L152 HydrophobicContact CD2-CD1 4.29Å; L88-L152 HydrophobicContact CD2-CD2 3.88Å; L107-L152 HydrophobicContact CB-CD1 4.45Å; L107-L152 HydrophobicContact CD2-CD1 4.46Å; F146-L152 HydrophobicContact CE1-CD1 4.31Å; V149-L152 HydrophobicContact CG1-CB 3.99Å; L152-I154 HydrophobicContact CD2-CD1 3.92Å; L152-I154 HydrophobicContact CD2-CG1 3.88Å; L152-I154 HydrophobicContact CG-CG1 3.92Å; L152-L172 HydrophobicContact CD2-CD1 4.28Å; L152-L172 HydrophobicContact CD2-CD2 4.23Å
153	S	98.3	Very high	96.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	124.5	167.9	-55.5	0	0	0	0	109.2	F78 N79 Y108 I111	F78-S153 CarbonylContact O-C 3.59Å; F78-S153 WeakPolarHBondContact O-CA 3.12Å; N79-S153 PolarHBondContact OD1-OG 3.29Å; Y108-S153 PolarHBondContact N-O 2.84Å; Y108-S153 PolarHBondContact O-N 3.44Å; I111-S153 PolarHBondContact O-OG 3.3Å
154	I	98.4	Very high	96.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	115.6	177.5	-54.5	-176.4	0	0	0	107.1	L77 F78 I80 I91 M105 L107 L152 I156 I170 L172	L77-I154 WeakPolarHBondContact CA-O 3.38Å; F78-I154 HydrophobicContact CB-CB 4.27Å; F78-I154 HydrophobicContact CD2-CB 4.28Å; F78-I154 HydrophobicContact CD2-CG2 4.5Å; F78-I154 PolarHBondContact N-O 3.03Å; F78-I154 PolarHBondContact O-N 3.22Å; I80-I154 HydrophobicContact CD1-CD1 3.5Å; I80-I154 HydrophobicContact CD1-CG1 3.73Å; I91-I154 HydrophobicContact CD1-CD1 4.4Å; M105-I154 HydrophobicContact CG-CG2 3.67Å; M105-I154 HydrophobicContact SD-CG2 3.64Å; L107-I154 HydrophobicContact CD2-CB 4.29Å; L107-I154 HydrophobicContact CD2-CD1 4.49Å; L107-I154 HydrophobicContact CD2-CG1 3.84Å; L107-I154 HydrophobicContact CD2-CG2 4.09Å; L152-I154 HydrophobicContact CD2-CD1 3.92Å; L152-I154 HydrophobicContact CD2-CG1 3.88Å; L152-I154 HydrophobicContact CG-CG1 3.92Å; I154-I156 HydrophobicContact CG2-CD1 4.18Å; I154-I170 HydrophobicContact CD1-CG2 4.06Å; I154-L172 HydrophobicContact CD1-CD2 4.21Å
155	H	98.7	Very high	97	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	119.2	175.6	175.4	-143.8	0	0	0	108.8	E75 L76 L77 M105 R106 Y108 T119	E75-H155 IonicContact OE1-CD2 3.61Å; E75-H155 IonicContact OE1-CE1 3.59Å; E75-H155 PolarHBondContact OE1-CE1 3.29Å; E75-H155 IonicContact OE1-NE2 3.07Å; E75-H155 PolarHBondContact OE1-NE2 2.91Å; L76-H155 CarbonylContact O-C 3.53Å; L76-H155 WeakPolarHBondContact O-CA 3.41Å; L77-H155 HydrophobicContact CD1-CB 3.82Å; M105-H155 CarbonylContact C-O 3.52Å; M105-H155 WeakPolarHBondContact CA-O 3.42Å; R106-H155 HydrophobicContact CB-CB 4.21Å; R106-H155 PolarHBondContact N-O 2.83Å; R106-H155 PolarHBondContact O-N 3.43Å; Y108-H155 HydrophobicContact CE2-CB 4.03Å; T119-H155 HydrophobicContact CG2-CB 4.28Å
156	I	98.4	Very high	97.2	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	112.5	165.9	-52.8	-56.8	0	0	0	106.4	E75 L76 F78 I93 P102 M105 I154 T165	E75-I156 CarbonylContact C-O 3.57Å; E75-I156 VanDerWaalsContact CA-O 3.26Å; E75-I156 WeakPolarHBondContact CA-O 3.49Å; L76-I156 HydrophobicContact CB-CB 4.2Å; L76-I156 HydrophobicContact CB-CG1 4.39Å; L76-I156 PolarHBondContact N-O 3.48Å; L76-I156 PolarHBondContact O-N 2.98Å; F78-I156 HydrophobicContact CE2-CG1 4.23Å; I93-I156 HydrophobicContact CD1-CD1 3.51Å; I93-I156 HydrophobicContact CD1-CG1 4.33Å; P102-I156 HydrophobicContact CB-CD1 4.41Å; P102-I156 HydrophobicContact CB-CG2 3.61Å; M105-I156 HydrophobicContact CB-CD1 3.81Å; M105-I156 HydrophobicContact CG-CD1 3.88Å; M105-I156 HydrophobicContact SD-CD1 4.41Å; I154-I156 HydrophobicContact CG2-CD1 4.18Å; I156-T165 HydrophobicContact CG2-CG2 3.97Å
157	S	97.6	Very high	97.2	Very high	7 Å²	7	37 Å²	37	5%	0.049	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	-23.8	-173.2	53.2	0	0	0	0	113	E104	E104-S157 WeakPolarHBondContact CB-OG 3.31Å; E104-S157 VanDerWaalsContact CD-OG 3.24Å; E104-S157 VanDerWaalsContact CG-OG 3.29Å; E104-S157 WeakPolarHBondContact CG-OG 3.21Å; E104-S157 PolarHBondContact O-N 2.65Å; E104-S157 PolarHBondContact OE1-OG 2.79Å
158	K	97.5	Very high	97.4	Very high	102 Å²	102	34.4 Å²	34.4	44%	0.443	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	153.7	-175.1	-61.8	-177	-178.7	171.7	0	111.7	S103 E104	S103-K158 PolarHBondContact N-O 3.11Å; S103-K158 WeakPolarHBondContact OG-CB 3.48Å; S103-K158 PolarHBondContact OG-O 3.49Å; E104-K158 HydrophobicContact CB-CB 4.17Å; E104-K158 PolarHBondContact N-O 2.63Å
159	N	97.8	Very high	97.5	Very high	13 Å²	13	30.4 Å²	30.4	7%	0.07	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	-166.3	165	63.6	28.4	0	0	0	110.7	E74 D99 H101 S103 G161 A162 T164 T165	E74-N159 VanDerWaalsContact CB-ND2 3.31Å; E74-N159 WeakPolarHBondContact CB-ND2 3.44Å; D99-N159 WeakPolarHBondContact O-CB 3.35Å; D99-N159 PolarHBondContact O-OD1 2.91Å; H101-N159 CarbonylContact O-C 3.54Å; H101-N159 WeakPolarHBondContact O-CA 3.29Å; H101-N159 WeakPolarHBondContact O-CB 3.21Å; S103-N159 VanDerWaalsContact CB-O 3.3Å; S103-N159 WeakPolarHBondContact CB-O 3.35Å; S103-N159 PolarHBondContact OG-O 3.34Å; N159-G161 VanDerWaalsContact C-N 3.26Å; N159-G161 PolarHBondContact O-N 3.09Å; N159-G161 WeakPolarHBondContact OD1-CA 3.45Å; N159-G161 PolarHBondContact OD1-N 2.92Å; N159-A162 PolarHBondContact ND2-O 3.45Å; N159-A162 PolarHBondContact OD1-N 3.36Å; N159-A162 PolarHBondContact OD1-O 2.98Å; N159-T164 PolarHBondContact ND2-O 2.97Å; N159-T165 WeakPolarHBondContact CB-OG1 3.44Å; N159-T165 PolarHBondContact ND2-OG1 2.92Å
160	F	97.5	Very high	97.6	Very high	76 Å²	76	30.5 Å²	30.5	33%	0.333	17%	0.165	S	C	.	.	S	Bend	trans	-83.8	8.4	-179.9	-78.5	-83.6	0	0	0	114.5	D99 H101 L129 R131	D99-F160 HydrophobicContact CB-CB 4.34Å; D99-F160 CarbonylContact O-C 3.54Å; D99-F160 WeakPolarHBondContact O-CA 3.43Å; D99-F160 PolarHBondContact O-N 2.65Å; H101-F160 HydrophobicContact CB-CD2 3.84Å; H101-F160 HydrophobicContact CB-CE2 4.15Å; H101-F160 AromaticContact ND1-CE2 3.87Å; H101-F160 WeakPolarHBondContact O-CD2 3.27Å; H101-F160 PolarHBondContact O-N 3.2Å; L129-F160 WeakPolarHBondContact O-CZ 3.19Å; R131-F160 HydrophobicContact CG-CD2 3.91Å; R131-F160 HydrophobicContact CG-CE2 3.53Å; R131-F160 HydrophobicContact CG-CZ 3.93Å
161	G	95.8	Very high	97.6	Very high	62 Å²	62	25.6 Å²	25.6	64%	0.639	15%	0.147	S	C	*	.	S	Bend	trans	124.4	12.4	174.1	0	0	0	0	0	115.4	D99 N159	D99-G161 PolarHBondContact O-N 2.86Å; N159-G161 VanDerWaalsContact C-N 3.26Å; N159-G161 PolarHBondContact O-N 3.09Å; N159-G161 WeakPolarHBondContact OD1-CA 3.45Å; N159-G161 PolarHBondContact OD1-N 2.92Å
162	A	96.9	Very high	97.6	Very high	28 Å²	28	25 Å²	25	23%	0.231	14%	0.144	C	C	.	.			trans	-85.1	164.6	171.3	0	0	0	0	0	111.6	D99 N159 T164	D99-A162 VanDerWaalsContact C-CB 3.46Å; D99-A162 HydrophobicContact CB-CB 4.01Å; D99-A162 PolarHBondContact O-N 3.26Å; N159-A162 PolarHBondContact ND2-O 3.45Å; N159-A162 PolarHBondContact OD1-N 3.36Å; N159-A162 PolarHBondContact OD1-O 2.98Å; A162-T164 VanDerWaalsContact C-N 3.3Å; A162-T164 PolarHBondContact O-N 3.19Å
163	D	97.1	Very high	97.4	Very high	143 Å²	143	27.6 Å²	27.6	77%	0.765	15%	0.154	S	C	*	.	S	Bend	trans	-73.5	-23.4	177.5	-59.6	-33.3	0	0	0	112.7	D73 E74	D73-D163 CarbonylContact C-O 3.57Å; D73-D163 VanDerWaalsContact C-O 3.28Å; E74-D163 PolarHBondContact N-O 3Å
164	T	97.6	Very high	97.2	Very high	37 Å²	37	28.6 Å²	28.6	23%	0.227	16%	0.164	C	C	.	.	S	Bend	trans	-129.9	154.4	179.6	64	0	0	0	0	111.2	E69 S70 S100 N159 A162	E69-T164 PolarHBondContact OE1-OG1 2.8Å; S70-T164 VanDerWaalsContact OG-CA 3.31Å; S70-T164 WeakPolarHBondContact OG-CA 3.36Å; S70-T164 WeakPolarHBondContact OG-CB 3.42Å; S100-T164 WeakPolarHBondContact CA-O 3.38Å; S100-T164 WeakPolarHBondContact CB-O 3.26Å; N159-T164 PolarHBondContact ND2-O 2.97Å; A162-T164 VanDerWaalsContact C-N 3.3Å; A162-T164 PolarHBondContact O-N 3.19Å
165	T	98.3	Very high	96.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.182	C	C	.	.			trans	-106	135.3	176.2	-66.9	0	0	0	0	110.4	E69 S70 E74 L76 S100 P102 I156 N159 V167	E69-T165 CarbonylContact C-O 3.28Å; E69-T165 VanDerWaalsContact CA-O 3.3Å; E69-T165 WeakPolarHBondContact CA-O 3.35Å; S70-T165 PolarHBondContact N-O 2.95Å; S70-T165 PolarHBondContact OG-N 3.26Å; E74-T165 WeakPolarHBondContact O-CB 3.21Å; E74-T165 PolarHBondContact O-OG1 2.93Å; L76-T165 HydrophobicContact CD1-CG2 4.16Å; S100-T165 VanDerWaalsContact O-CA 3.31Å; S100-T165 WeakPolarHBondContact O-CA 3.16Å; P102-T165 HydrophobicContact CB-CG2 4.13Å; I156-T165 HydrophobicContact CG2-CG2 3.97Å; N159-T165 WeakPolarHBondContact CB-OG1 3.44Å; N159-T165 PolarHBondContact ND2-OG1 2.92Å; T165-V167 HydrophobicContact CG2-CG2 4.14Å
166	K	97.9	Very high	96.7	Very high	39 Å²	39	36.1 Å²	36.1	17%	0.17	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	126.1	178.9	-161.8	168.9	-163.6	139.7	0	112.2	F67 V68 E69 G95 E96 S100 F168	F67-K166 HydrophobicContact CD2-CD 4.44Å; F67-K166 HydrophobicContact CD2-CG 4.26Å; F67-K166 VanDerWaalsContact CE2-CE 3.49Å; V68-K166 WeakPolarHBondContact O-CA 3.48Å; E69-K166 HydrophobicContact CB-CG 4.48Å; E69-K166 IonicContact OE2-NZ 2.64Å; E69-K166 PolarHBondContact OE2-NZ 3.07Å; G95-K166 WeakPolarHBondContact CA-O 3.32Å; E96-K166 HydrophobicContact CB-CB 4.38Å; E96-K166 HydrophobicContact CB-CD 4.41Å; S100-K166 PolarHBondContact O-N 3.5Å; S100-K166 WeakPolarHBondContact OG-CB 3.43Å; K166-F168 HydrophobicContact CD-CE2 4.08Å; K166-F168 HydrophobicContact CD-CZ 3.83Å; K166-F168 HydrophobicContact CG-CE2 3.94Å; K166-F168 HydrophobicContact CG-CZ 4.05Å
167	V	98.2	Very high	96.3	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	132	-179.6	-177.5	0	0	0	0	109.9	V54 F67 V68 L76 I93 P102 T165 I170	V54-V167 HydrophobicContact CG1-CG1 4.46Å; V54-V167 VanDerWaalsContact CG1-O 3.27Å; V54-V167 WeakPolarHBondContact CG1-O 3.33Å; F67-V167 VanDerWaalsContact CA-O 3.28Å; F67-V167 WeakPolarHBondContact CA-O 3.38Å; F67-V167 WeakPolarHBondContact CB-O 3.43Å; V68-V167 HydrophobicContact CG1-CB 3.83Å; V68-V167 PolarHBondContact N-O 2.83Å; V68-V167 PolarHBondContact O-N 3.31Å; L76-V167 HydrophobicContact CD1-CG2 4.34Å; I93-V167 HydrophobicContact CD1-CG1 4.27Å; I93-V167 HydrophobicContact CD1-CG2 4.22Å; I93-V167 HydrophobicContact CG1-CG1 3.94Å; P102-V167 HydrophobicContact CG-CG2 4.17Å; T165-V167 HydrophobicContact CG2-CG2 4.14Å; V167-I170 HydrophobicContact CG1-CD1 4.22Å; V167-I170 HydrophobicContact CG1-CG1 3.79Å
168	F	97.3	Very high	95.8	Very high	7 Å²	7	46.6 Å²	46.6	3%	0.031	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	-26.8	-179.8	-67.8	-86.3	0	0	0	113.1	K56 R64 F67 M94 G95 E96 K166	K56-F168 WeakPolarHBondContact CE-O 3.34Å; K56-F168 PolarHBondContact NZ-O 3.22Å; R64-F168 HydrophobicContact CB-CD1 3.83Å; R64-F168 HydrophobicContact CB-CE1 3.9Å; R64-F168 HydrophobicContact CG-CD1 4.14Å; R64-F168 HydrophobicContact CG-CE1 4.42Å; R64-F168 VanDerWaalsContact NH2-CZ 3.27Å; F67-F168 HydrophobicContact CB-CD1 3.57Å; F67-F168 HydrophobicContact CB-CE1 3.7Å; F67-F168 HydrophobicContact CB-CG 4.24Å; F67-F168 HydrophobicContact CB-CZ 4.44Å; F67-F168 HydrophobicContact CD1-CE1 4.19Å; F67-F168 HydrophobicContact CG-CD1 4.44Å; F67-F168 HydrophobicContact CG-CE1 4.11Å; M94-F168 PolarHBondContact O-N 3.15Å; G95-F168 WeakPolarHBondContact O-CD2 3.3Å; E96-F168 HydrophobicContact CB-CE2 3.92Å; E96-F168 VanDerWaalsContact OE2-CZ 3.26Å; E96-F168 WeakPolarHBondContact OE2-CZ 3.41Å; K166-F168 HydrophobicContact CD-CE2 4.08Å; K166-F168 HydrophobicContact CD-CZ 3.83Å; K166-F168 HydrophobicContact CG-CE2 3.94Å; K166-F168 HydrophobicContact CG-CZ 4.05Å
169	Y	97.3	Very high	94.7	Very high	1 Å²	1	45.6 Å²	45.6	0%	0.004	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	136.9	-176.1	179.1	-106.4	0	0	0	111.6	V54 K56 W58 R61 I92 I93 M94 G171	V54-Y169 WeakPolarHBondContact O-CA 3.49Å; K56-Y169 HydrophobicContact CD-CD2 4.41Å; K56-Y169 HydrophobicContact CG-CD2 3.7Å; K56-Y169 HydrophobicContact CG-CE2 3.94Å; K56-Y169 WeakPolarHBondContact O-CE2 3.46Å; W58-Y169 HydrophobicContact CE3-CE1 4.47Å; R61-Y169 HydrophobicContact CB-CD1 3.92Å; R61-Y169 HydrophobicContact CB-CD2 3.76Å; R61-Y169 HydrophobicContact CB-CE1 3.96Å; R61-Y169 HydrophobicContact CB-CE2 3.79Å; R61-Y169 HydrophobicContact CB-CG 3.81Å; I92-Y169 HydrophobicContact CG2-CD1 4.16Å; I92-Y169 HydrophobicContact CG2-CE1 4.18Å; I93-Y169 WeakPolarHBondContact CA-O 3.19Å; M94-Y169 HydrophobicContact CG-CD1 4.21Å; M94-Y169 PolarHBondContact N-O 2.86Å; M94-Y169 PolarHBondContact O-N 3.36Å; M94-Y169 HydrophobicContact SD-CD1 3.57Å; M94-Y169 VanDerWaalsContact SD-CD1 3.57Å; M94-Y169 HydrophobicContact SD-CG 3.91Å; Y169-G171 VanDerWaalsContact CE1-CA 3.49Å
170	I	97.4	Very high	93.2	Very high	3 Å²	3	54.9 Å²	54.9	2%	0.015	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	112.9	166.6	-58.7	176.9	0	0	0	108.1	V54 F55 F78 I91 I92 I93 I154 V167 L172	V54-I170 HydrophobicContact CG2-CB 4.45Å; V54-I170 HydrophobicContact CG2-CD1 3.95Å; V54-I170 HydrophobicContact CG2-CG1 4Å; V54-I170 PolarHBondContact O-N 2.98Å; F55-I170 HydrophobicContact CD1-CB 4.11Å; F55-I170 HydrophobicContact CD1-CG2 4.28Å; F55-I170 HydrophobicContact CE1-CB 3.67Å; F55-I170 HydrophobicContact CE1-CD1 4.36Å; F55-I170 HydrophobicContact CE1-CG2 3.54Å; F55-I170 HydrophobicContact CE2-CD1 4.42Å; F55-I170 HydrophobicContact CZ-CB 4.05Å; F55-I170 HydrophobicContact CZ-CD1 3.86Å; F55-I170 HydrophobicContact CZ-CG2 4.09Å; F78-I170 HydrophobicContact CD1-CD1 4.44Å; F78-I170 HydrophobicContact CD2-CD1 4.16Å; F78-I170 HydrophobicContact CE1-CD1 4.13Å; F78-I170 HydrophobicContact CE2-CD1 3.87Å; F78-I170 HydrophobicContact CG-CD1 4.45Å; F78-I170 HydrophobicContact CZ-CD1 3.85Å; I91-I170 HydrophobicContact CG2-CG2 4.25Å; I92-I170 CarbonylContact O-C 3.57Å; I92-I170 WeakPolarHBondContact O-CA 3.26Å; I93-I170 HydrophobicContact CG1-CG1 4.33Å; I154-I170 HydrophobicContact CD1-CG2 4.06Å; V167-I170 HydrophobicContact CG1-CD1 4.22Å; V167-I170 HydrophobicContact CG1-CG1 3.79Å; I170-L172 HydrophobicContact CG2-CD2 4.14Å
171	G	96.2	Very high	91.3	Very high	2 Å²	2	61.9 Å²	61.9	2%	0.021	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	128.6	177.2	0	0	0	0	0	111	I91 I92 Y169	I91-G171 CarbonylContact C-O 3.53Å; I91-G171 VanDerWaalsContact CA-O 3.29Å; I91-G171 WeakPolarHBondContact CA-O 3.47Å; I92-G171 PolarHBondContact N-O 2.94Å; I92-G171 PolarHBondContact O-N 3.42Å; Y169-G171 VanDerWaalsContact CE1-CA 3.49Å
172	L	96.3	Very high	89.2	Confident	4 Å²	4	66.5 Å²	66.5	2%	0.021	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	124.1	175	-56.1	-177.7	0	0	0	110.1	L31 I35 F55 F82 L88 I91 L152 I154 I170	L31-L172 HydrophobicContact CB-CB 3.99Å; L31-L172 WeakPolarHBondContact CB-O 3.21Å; L31-L172 HydrophobicContact CD1-CB 3.98Å; I35-L172 HydrophobicContact CD1-CD1 4.05Å; F55-L172 HydrophobicContact CE1-CD1 4.45Å; F82-L172 HydrophobicContact CE1-CD1 3.88Å; F82-L172 HydrophobicContact CZ-CD1 3.77Å; L88-L172 HydrophobicContact CD1-CB 4.07Å; L88-L172 HydrophobicContact CD1-CD2 4.29Å; I91-L172 HydrophobicContact CB-CD2 4.49Å; I91-L172 HydrophobicContact CD1-CD2 4.11Å; I91-L172 HydrophobicContact CG1-CD2 3.88Å; I91-L172 HydrophobicContact CG2-CD2 4.13Å; L152-L172 HydrophobicContact CD2-CD1 4.28Å; L152-L172 HydrophobicContact CD2-CD2 4.23Å; I154-L172 HydrophobicContact CD1-CD2 4.21Å; I170-L172 HydrophobicContact CG2-CD2 4.14Å
173	R	94.6	Very high	87	Confident	56 Å²	56	73.5 Å²	73.5	21%	0.211	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	133.9	175.8	-173.1	176.4	71.6	98.6	-3	110.9	A28 Y29 K89 G90 E138	A28-R173 HydrophobicContact CB-CG 4.05Å; A28-R173 WeakPolarHBondContact O-CA 3.04Å; A28-R173 WeakPolarHBondContact O-CG 3.48Å; Y29-R173 HydrophobicContact CD1-CB 4.09Å; Y29-R173 HydrophobicContact CE1-CB 3.69Å; K89-R173 PolarHBondContact N-O 3.36Å; G90-R173 PolarHBondContact N-O 3.37Å; G90-R173 PolarHBondContact O-N 3.06Å; E138-R173 VanDerWaalsContact CD-NE 3.31Å; E138-R173 IonicContact OE1-CZ 3.13Å; E138-R173 IonicContact OE1-NE 2.91Å; E138-R173 PolarHBondContact OE1-NE 2.86Å; E138-R173 IonicContact OE1-NH2 3.29Å; E138-R173 PolarHBondContact OE1-NH2 3.37Å; E138-R173 IonicContact OE2-NE 3.25Å; E138-R173 PolarHBondContact OE2-NE 2.85Å
174	G	93.8	Very high	84.9	Confident	21 Å²	21	72.2 Å²	72.2	22%	0.216	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.7	-165.4	176.6	0	0	0	0	0	114.2	K87	K87-G174 CarbonylContact O-C 3.51Å; K87-G174 WeakPolarHBondContact O-CA 3.06Å
175	E	93.5	Very high	82.7	Confident	80 Å²	80	76 Å²	76	37%	0.374	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	139.8	176.7	-65.1	163.5	-162.4	0	0	109.1	V86 K87 K89	V86-E175 CarbonylContact C-O 3.55Å; V86-E175 WeakPolarHBondContact CA-O 3.47Å; K87-E175 HydrophobicContact CB-CB 4.28Å; K87-E175 PolarHBondContact N-O 3.48Å; K87-E175 IonicContact NZ-OE2 2.79Å; K87-E175 PolarHBondContact NZ-OE2 2.79Å; K87-E175 PolarHBondContact O-N 2.9Å; K89-E175 WeakPolarHBondContact CE-OE1 3.16Å; K89-E175 IonicContact NZ-OE1 2.64Å; K89-E175 PolarHBondContact NZ-OE1 3.17Å
176	W	93	Very high	80.6	Confident	78 Å²	78	81.7 Å²	81.7	30%	0.295	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	140.6	171.5	175.3	91.4	0	0	0	109.7	L31 R34 N85 E178	L31-W176 HydrophobicContact CD2-CB 4.01Å; R34-W176 HydrophobicContact CB-CG 4.13Å; R34-W176 HydrophobicContact CG-CB 3.95Å; R34-W176 HydrophobicContact CG-CD2 4.26Å; R34-W176 HydrophobicContact CG-CG 3.7Å; N85-W176 CarbonylContact O-C 3.59Å; N85-W176 WeakPolarHBondContact O-CA 3.43Å; W176-E178 HydrophobicContact CH2-CB 3.6Å; W176-E178 HydrophobicContact CH2-CG 4.05Å; W176-E178 HydrophobicContact CZ2-CB 4.18Å; W176-E178 HydrophobicContact CZ2-CG 4.49Å; W176-E178 HydrophobicContact CZ3-CB 4.09Å
177	T	91.8	Very high	78.5	Confident	80 Å²	80	84.4 Å²	84.4	49%	0.491	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	136.8	173.6	52	0	0	0	0	109	N85 L179	N85-T177 WeakPolarHBondContact CB-OG1 3.45Å; N85-T177 PolarHBondContact N-O 3.06Å; N85-T177 PolarHBondContact O-N 2.95Å; N85-T177 PolarHBondContact O-OG1 3.38Å; T177-L179 PolarHBondContact O-N 2.82Å
178	E	85.8	Confident	76.2	Confident	146 Å²	146	90.6 Å²	90.6	68%	0.682	45%	0.445	S	S	*	.			trans	-60.5	134.2	178.1	-170.2	171.8	-162.4	0	0	110.4	W176 R180	W176-E178 HydrophobicContact CH2-CB 3.6Å; W176-E178 HydrophobicContact CH2-CG 4.05Å; W176-E178 HydrophobicContact CZ2-CB 4.18Å; W176-E178 HydrophobicContact CZ2-CG 4.49Å; W176-E178 HydrophobicContact CZ3-CB 4.09Å; E178-R180 VanDerWaalsContact C-N 3.35Å; E178-R180 PolarHBondContact O-N 3.49Å
179	L	74.6	Confident	74.1	Confident	82 Å²	82	100.4 Å²	100.4	43%	0.429	48%	0.483	S	S	.	.			trans	-68.2	95.9	174.7	-166.5	84.3	0	0	0	108	N85 T177 R181	N85-L179 WeakPolarHBondContact ND2-CD1 3.21Å; T177-L179 PolarHBondContact O-N 2.82Å; L179-R181 VanDerWaalsContact C-N 3.27Å; L179-R181 HydrophobicContact CD2-CG 4.49Å; L179-R181 PolarHBondContact O-N 3.23Å
180	R	66.2	Low	72.3	Confident	208 Å²	208	108.7 Å²	108.7	79%	0.785	52%	0.522	S	S	*	.			trans	-64.5	93.9	169.3	-67.6	-168.9	-175.5	-169.8	1.9	107.9	E178 H182	E178-R180 VanDerWaalsContact C-N 3.35Å; E178-R180 PolarHBondContact O-N 3.49Å; R180-H182 PolarHBondContact O-N 3.46Å; R180-H182 PolarHBondContact O-ND1 3.37Å
181	R	58.2	Low	70.3	Confident	222 Å²	222	113.1 Å²	113.1	84%	0.838	56%	0.559	S	S	*	*			trans	-60.2	97.9	158.9	-65.4	-176.1	-175.7	-174.6	1.6	104.6	L179 E183	L179-R181 VanDerWaalsContact C-N 3.27Å; L179-R181 HydrophobicContact CD2-CG 4.49Å; L179-R181 PolarHBondContact O-N 3.23Å; R181-E183 PolarHBondContact O-N 2.9Å
182	H	51.3	Low	68.4	Low	159 Å²	159	118 Å²	118	74%	0.736	59%	0.593	S	S	*	*			trans	-62.1	98.6	158.8	-66.8	69.6	0	0	0	102.6	R180 V184	R180-H182 PolarHBondContact O-N 3.46Å; R180-H182 PolarHBondContact O-ND1 3.37Å; H182-V184 VanDerWaalsContact C-N 3.32Å; H182-V184 PolarHBondContact O-N 3.4Å
183	E	51.1	Low	66.7	Low	175 Å²	175	121.6 Å²	121.6	82%	0.818	62%	0.623	S	S	*	*			trans	-45.1	117.3	150.3	-97.1	-175.5	157.5	0	0	103.4	R181 T185	R181-E183 PolarHBondContact O-N 2.9Å; E183-T185 PolarHBondContact O-N 3.3Å
184	V	52.5	Low	65.4	Low	116 Å²	116	123.3 Å²	123.3	70%	0.703	64%	0.637	S	S	*	*			trans	-54.9	101.9	176	177.8	0	0	0	0	103.4	H182 I186	H182-V184 VanDerWaalsContact C-N 3.32Å; H182-V184 PolarHBondContact O-N 3.4Å; V184-I186 HydrophobicContact CB-CG1 4.3Å; V184-I186 HydrophobicContact CG1-CG1 3.73Å; V184-I186 PolarHBondContact O-N 2.99Å
185	T	52.2	Low	64	Low	118 Å²	118	127.4 Å²	127.4	72%	0.724	66%	0.659	S	S	*	*			trans	-62.5	90.7	160.6	-56.2	0	0	0	0	101.8	E183 C187	E183-T185 PolarHBondContact O-N 3.3Å; T185-C187 PolarHBondContact O-N 2.88Å
186	I	54.3	Low	62.7	Low	119 Å²	119	127.6 Å²	127.6	61%	0.61	68%	0.675	S	S	*	*			trans	-62.5	92.8	169.4	-61.6	176.3	0	0	0	102.2	V184 N188	V184-I186 HydrophobicContact CB-CG1 4.3Å; V184-I186 HydrophobicContact CG1-CG1 3.73Å; V184-I186 PolarHBondContact O-N 2.99Å; I186-N188 WeakPolarHBondContact CG2-OD1 3.44Å; I186-N188 PolarHBondContact O-N 3.25Å
187	C	52.4	Low	61.2	Low	96 Å²	96	130.3 Å²	130.3	65%	0.649	70%	0.695	S	S	*	*			trans	-68.4	79.7	167.7	-67.9	0	0	0	0	105.3	T185 Y189	T185-C187 PolarHBondContact O-N 2.88Å; C187-Y189 PolarHBondContact O-N 2.82Å
188	N	50	Low	59.9	Low	130 Å²	130	132.1 Å²	132.1	70%	0.695	70%	0.698	S	S	*	*			trans	-68.3	61.5	162	-84	-2.3	0	0	0	108.4	I186	I186-N188 WeakPolarHBondContact CG2-OD1 3.44Å; I186-N188 PolarHBondContact O-N 3.25Å
189	Y	53	Low	58.3	Low	212 Å²	212	136.4 Å²	136.4	83%	0.831	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	108	134.6	-97.1	-107.3	0	0	0	100.8	C187	C187-Y189 PolarHBondContact O-N 2.82Å
190	E	59.8	Low	57.7	Low	176 Å²	176	138.8 Å²	138.8	82%	0.822	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn		-167.4	38.5	65.7	-38.4	-169.7	-164.1	0	0	110.4	S192	E190-S192 VanDerWaalsContact C-N 3.26Å; E190-S192 PolarHBondContact O-N 3.37Å
191	A	55.5	Low	57.1	Low	96 Å²	96	137.2 Å²	137.2	79%	0.793	73%	0.726	S	S	*	*			trans	-86	20.9	-173.8	0	0	0	0	0	115.2
192	S	56.7	Low	56.8	Low	104 Å²	104	135.1 Å²	135.1	73%	0.727	73%	0.726	S	S	*	*	S	Bend	trans	-115	108.3	170.5	47.5	0	0	0	0	108.9	E190 N194	E190-S192 VanDerWaalsContact C-N 3.26Å; E190-S192 PolarHBondContact O-N 3.37Å; S192-N194 PolarHBondContact O-N 3.43Å; S192-N194 VanDerWaalsContact O-N 3.12Å
193	A	60	Low	56.9	Low	80 Å²	80	133.9 Å²	133.9	66%	0.661	73%	0.73	S	S	*	*			trans	-50.5	118.9	175.8	0	0	0	0	0	109.6	P195	A193-P195 VanDerWaalsContact O-CD 3.25Å; A193-P195 WeakPolarHBondContact O-CD 3.46Å
194	N	68.2	Low	56.8	Low	91 Å²	91	131.3 Å²	131.3	49%	0.487	73%	0.726	S	S	.	*			trans	-68.2	118.8	179.1	-174.4	-1.4	0	0	0	108.8	S192 A196 D197 H198	S192-N194 PolarHBondContact O-N 3.43Å; S192-N194 VanDerWaalsContact O-N 3.12Å; N194-A196 PolarHBondContact O-N 3.03Å; N194-A196 VanDerWaalsContact O-N 3.09Å; N194-A196 WeakPolarHBondContact OD1-CB 3.5Å; N194-A196 PolarHBondContact OD1-N 2.66Å; N194-A196 VanDerWaalsContact OD1-N 3.09Å; N194-D197 PolarHBondContact O-N 2.94Å; N194-H198 PolarHBondContact O-ND1 2.55Å; N194-H198 VanDerWaalsContact O-ND1 3.15Å
195	P	64	Low	56.9	Low	107 Å²	107	131 Å²	131	70%	0.695	73%	0.726	S	S	*	*	G	3₁₀ helix	trans	-58.6	-24	176.8	-22.5	33.4	0	0	0	112.6	A193 D197 H198	A193-P195 VanDerWaalsContact O-CD 3.25Å; A193-P195 WeakPolarHBondContact O-CD 3.46Å; P195-D197 VanDerWaalsContact C-N 3.28Å; P195-D197 PolarHBondContact O-N 3.44Å; P195-H198 PolarHBondContact O-N 3.1Å
196	A	65.1	Low	56.7	Low	84 Å²	84	133.7 Å²	133.7	69%	0.694	73%	0.731	S	S	*	*	G	3₁₀ helix	trans	-68.6	-21.5	176.9	0	0	0	0	0	114	N194 H198	N194-A196 PolarHBondContact O-N 3.03Å; N194-A196 VanDerWaalsContact O-N 3.09Å; N194-A196 WeakPolarHBondContact OD1-CB 3.5Å; N194-A196 PolarHBondContact OD1-N 2.66Å; N194-A196 VanDerWaalsContact OD1-N 3.09Å; A196-H198 VanDerWaalsContact C-N 3.29Å
197	D	62.9	Low	56.4	Low	135 Å²	135	133.4 Å²	133.4	72%	0.722	74%	0.735	S	S	*	*	G	3₁₀ helix	trans	-82.5	-8	175.8	-90.3	-19.6	0	0	0	113.2	N194 P195 R199	N194-D197 PolarHBondContact O-N 2.94Å; P195-D197 VanDerWaalsContact C-N 3.28Å; P195-D197 PolarHBondContact O-N 3.44Å; D197-R199 PolarHBondContact O-N 2.79Å
198	H	63.4	Low	56.3	Low	119 Å²	119	136.8 Å²	136.8	55%	0.551	74%	0.74	S	S	*	*	S	Bend	trans	-87	98.5	176.9	-64.1	76.8	0	0	0	109.1	N194 P195 A196 V200	N194-H198 PolarHBondContact O-ND1 2.55Å; N194-H198 VanDerWaalsContact O-ND1 3.15Å; P195-H198 PolarHBondContact O-N 3.1Å; A196-H198 VanDerWaalsContact C-N 3.29Å; H198-V200 WeakPolarHBondContact O-CG2 3.29Å; H198-V200 PolarHBondContact O-N 2.64Å
199	R	53.4	Low	56.3	Low	236 Å²	236	139.7 Å²	139.7	89%	0.891	75%	0.747	S	S	*	*			trans	-58.6	104.7	172.9	-69	-177.3	-178.6	165.7	1.3	109.8	D197 H201	D197-R199 PolarHBondContact O-N 2.79Å; R199-H201 PolarHBondContact O-N 2.93Å
200	V	60.8	Low	56.2	Low	132 Å²	132	137.3 Å²	137.3	80%	0.8	75%	0.747	S	S	*	*			trans	-73.9	108.3	174.2	-150	0	0	0	0	107.4	H198 Q202	H198-V200 WeakPolarHBondContact O-CG2 3.29Å; H198-V200 PolarHBondContact O-N 2.64Å; V200-Q202 PolarHBondContact O-N 3.37Å
201	H	53.2	Low	56	Low	174 Å²	174	137.8 Å²	137.8	81%	0.806	77%	0.77	S	S	*	*			trans	-62.7	97.6	171.6	-79.6	-79	0	0	0	108.7	R199 V203	R199-H201 PolarHBondContact O-N 2.93Å; H201-V203 PolarHBondContact O-N 3.43Å
202	Q	53.7	Low	56	Low	179 Å²	179	139.9 Å²	139.9	84%	0.836	77%	0.769	S	S	*	*			trans	-63.9	104.2	172.6	-81	-178.8	-15.8	0	0	108.9	V200 T204	V200-Q202 PolarHBondContact O-N 3.37Å; Q202-T204 PolarHBondContact O-N 3.12Å
203	V	53.3	Low	56	Low	133 Å²	133	141.8 Å²	141.8	81%	0.806	77%	0.771	S	S	*	*			trans	-78.1	102.5	166.8	-178.6	0	0	0	0	106.9	H201	H201-V203 PolarHBondContact O-N 3.43Å
204	T	49.2	Very low	55.8	Low	120 Å²	120	145.2 Å²	145.2	74%	0.736	78%	0.777	S	S	*	*			trans	-64.7	122.3	177.3	-47.1	0	0	0	0	109.9	Q202 Q206	Q202-T204 PolarHBondContact O-N 3.12Å; T204-Q206 PolarHBondContact O-N 2.83Å
205	P	52.8	Low	55	Low	109 Å²	109	148.4 Å²	148.4	71%	0.708	79%	0.794	S	S	*	*			trans	-73.8	122.5	178.9	-3.1	17.9	0	0	0	109.9	T207	P205-T207 PolarHBondContact O-N 3.04Å
206	Q	49.8	Very low	54.5	Low	176 Å²	176	151 Å²	151	82%	0.822	80%	0.801	S	S	*	*			trans	-69.6	108.9	169.8	-72.1	-170.4	-40.9	0	0	109.3	T204 H208	T204-Q206 PolarHBondContact O-N 2.83Å; Q206-H208 PolarHBondContact O-N 3.35Å
207	T	47.8	Very low	53.8	Low	113 Å²	113	155.5 Å²	155.5	69%	0.693	81%	0.808	S	S	*	*			trans	-78.6	110.1	173.1	32.6	0	0	0	0	110	P205 F209	P205-T207 PolarHBondContact O-N 3.04Å; T207-F209 PolarHBondContact O-N 2.64Å
208	H	49.9	Very low	53.1	Low	166 Å²	166	156.9 Å²	156.9	77%	0.769	81%	0.814	S	S	*	*			trans	-72.8	110	171	-74	-84.9	0	0	0	109.9	Q206	Q206-H208 PolarHBondContact O-N 3.35Å
209	F	49.1	Very low	52.3	Low	191 Å²	191	159.8 Å²	159.8	84%	0.838	83%	0.834	S	S	*	*			trans	-80.2	112.4	164.6	-76.6	-90.3	0	0	0	108.6	T207	T207-F209 PolarHBondContact O-N 2.64Å
210	I	51	Low	52.2	Low	162 Å²	162	153.5 Å²	153.5	83%	0.831	83%	0.829	S	S	*	*			trans	-90.5	123.5	167.1	-60.3	173.2	0	0	0	106.3
211	S	56.3	Low	51.5	Low	187 Å²	187	155.5 Å²	155.5	100%	1.308	83%	0.832	S	S	*	*			trans	-66.6	0	176.4	-59.2	0	0	0	0	113.1

Retrieved 211 of 211 residues in 37.2 ms (Link to these results)

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