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Kallikrein-7

May catalyze the degradation of intercellular cohesive structures in the cornified layer of the skin in the continuous shedding of cells from the skin surface. Specific for amino acid residues with aromatic side chains in the P1 position. Cleaves insulin A chain at '14-Tyr-|-Gln-15' and insulin B chain at '6-Leu-|-Cys-7', '16-Tyr-|-Leu-17', '25-Phe-|-Tyr-26' and '26-Tyr-|-Thr-27'. Could play a role in the activation of precursors to inflammatory cytokines.

AlphaFold DB , UniProt , Accession P49862, Species HUMAN (Homo sapiens, Human), Gene KLK7, Length 253 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50.4	Low	51.2	Low	242 Å²	242	159.2 Å²	159.2	100%	1.192	84%	0.841	S	S	*	*				0	93.4	0	-60.4	180	-147.3	0	0	106.7
2	A	45.5	Very low	51.1	Low	96 Å²	96	158.2 Å²	158.2	79%	0.793	84%	0.835	S	S	*	*				66.4	93.5	109.3	0	0	0	0	0	112.3
3	R	44.1	Very low	51	Low	241 Å²	241	158.4 Å²	158.4	91%	0.909	84%	0.835	S	S	*	*				67.5	117.8	97.4	-82.9	-170.6	173.1	-157.4	-0.7	114
4	S	54.1	Low	51	Low	109 Å²	109	157.6 Å²	157.6	76%	0.762	83%	0.831	S	S	*	*			trans	-176.8	107.6	134.1	-78.3	0	0	0	0	108.5
5	L	53.4	Low	51.3	Low	144 Å²	144	154.5 Å²	154.5	75%	0.754	83%	0.827	S	S	*	*				72.9	93.5	85.9	-69.8	160.9	0	0	0	111.1
6	L	52.7	Low	51.6	Low	148 Å²	148	154.6 Å²	154.6	78%	0.775	83%	0.827	S	S	*	*				61.9	111.8	96.8	-75.7	171.7	0	0	0	114
7	L	54.7	Low	51.8	Low	168 Å²	168	151.1 Å²	151.1	88%	0.88	82%	0.824	S	S	*	*				-167.1	135.8	112.8	-120.2	101.9	0	0	0	110.4
8	P	48.6	Very low	51.8	Low	108 Å²	108	151.6 Å²	151.6	70%	0.701	83%	0.825	S	S	*	*			trans	-93	148.2	174.8	35.9	-29.2	0	0	0	111
9	L	51.6	Low	51.7	Low	172 Å²	172	153.3 Å²	153.3	90%	0.901	83%	0.827	S	S	*	*			trans	-137.9	122.1	164.4	-153.2	74.7	0	0	0	109.5
10	Q	50.9	Low	51.5	Low	171 Å²	171	152 Å²	152	80%	0.799	82%	0.824	S	S	*	*			trans	-69.4	178.1	178.9	-66.3	170.8	-41	0	0	112
11	I	56.8	Low	51.3	Low	152 Å²	152	149.3 Å²	149.3	78%	0.779	82%	0.823	S	S	*	*			trans	96.5	122.4	158.8	-52	152.7	0	0	0	111.9
12	L	51	Low	50.6	Low	147 Å²	147	141.4 Å²	141.4	77%	0.77	80%	0.803	S	S	*	*			cis	-158.1	143.5	16.4	-164	66.5	0	0	0	108.2
13	L	49.3	Very low	50.3	Low	161 Å²	161	145.8 Å²	145.8	84%	0.843	81%	0.807	S	S	*	*			trans	-67.6	130.6	167.6	-86.9	91.2	0	0	0	110.6
14	L	51.4	Low	50	Low	147 Å²	147	142.9 Å²	142.9	77%	0.77	80%	0.804	S	S	*	*			trans	-115.5	104.2	152.9	-116.5	91.3	0	0	0	108.1	L16	L14-L16 PolarHBondContact O-N 2.75Å
15	S	54.6	Low	49.1	Very low	112 Å²	112	142.2 Å²	142.2	78%	0.783	81%	0.805	S	S	*	*			trans	-76	105.2	169.4	42.3	0	0	0	0	109.4
16	L	56	Low	48.2	Very low	156 Å²	156	143 Å²	143	82%	0.817	81%	0.805	S	S	*	*			trans	-84	107.5	160	-84.5	92.2	0	0	0	108.3	L14 L18	L14-L16 PolarHBondContact O-N 2.75Å; L16-L18 PolarHBondContact O-N 3Å
17	A	55.1	Low	47.1	Very low	95 Å²	95	138.2 Å²	138.2	79%	0.785	79%	0.792	S	S	*	*			trans	-71.3	113.5	161.1	0	0	0	0	0	107.7	E19	A17-E19 PolarHBondContact O-N 3.05Å
18	L	52.1	Low	45.9	Very low	159 Å²	159	135.4 Å²	135.4	83%	0.832	78%	0.777	S	S	*	*			trans	-87.4	99.6	170.9	-168.5	67	0	0	0	107.3	L16 T20	L16-L18 PolarHBondContact O-N 3Å; L18-T20 PolarHBondContact O-N 2.97Å
19	E	50.8	Low	45.5	Very low	185 Å²	185	132.7 Å²	132.7	86%	0.864	75%	0.754	S	S	*	*			trans	-66.7	109.7	166.4	-75	179.2	163.1	0	0	108.2	A17 A21	A17-E19 PolarHBondContact O-N 3.05Å; E19-A21 PolarHBondContact O-N 3.05Å; E19-A21 VanDerWaalsContact O-N 3.1Å
20	T	47.4	Very low	46	Very low	127 Å²	127	124.5 Å²	124.5	78%	0.779	71%	0.711	S	S	*	*			trans	-70.3	101.1	168.7	52.5	0	0	0	0	108	L18 G22	L18-T20 PolarHBondContact O-N 2.97Å; T20-G22 PolarHBondContact O-N 3.49Å
21	A	47.1	Very low	47.1	Very low	96 Å²	96	117 Å²	117	79%	0.793	68%	0.677	S	S	*	*			trans	-61.7	119.5	163.9	0	0	0	0	0	108	E19 E23	E19-A21 PolarHBondContact O-N 3.05Å; E19-A21 VanDerWaalsContact O-N 3.1Å; A21-E23 PolarHBondContact O-N 3.01Å; A21-E23 VanDerWaalsContact O-N 3.14Å
22	G	36.2	Very low	48.6	Very low	75 Å²	75	112.8 Å²	112.8	77%	0.773	66%	0.656	S	S	*	*			trans	-60.5	113.9	172.4	0	0	0	0	0	109.5	T20 E24	T20-G22 PolarHBondContact O-N 3.49Å; G22-E24 PolarHBondContact O-N 3Å; G22-E24 VanDerWaalsContact O-N 3.09Å
23	E	38.3	Very low	50.4	Low	188 Å²	188	106.5 Å²	106.5	88%	0.879	63%	0.627	S	S	*	*			trans	-73	93.3	169.5	-154.4	168.7	169.1	0	0	106.9	A21 A25	A21-E23 PolarHBondContact O-N 3.01Å; A21-E23 VanDerWaalsContact O-N 3.14Å; E23-A25 PolarHBondContact O-N 2.91Å
24	E	38.1	Very low	52.6	Low	181 Å²	181	101.6 Å²	101.6	85%	0.846	61%	0.609	S	S	*	*			trans	-60.3	108.1	163.6	-80.4	-168.4	162.3	0	0	106.9	G22 Q26	G22-E24 PolarHBondContact O-N 3Å; G22-E24 VanDerWaalsContact O-N 3.09Å; E24-Q26 PolarHBondContact O-N 2.93Å
25	A	35.6	Very low	54.7	Low	95 Å²	95	97.2 Å²	97.2	79%	0.785	59%	0.59	S	S	*	*			trans	-54	101.9	179.3	0	0	0	0	0	110	E23 G27	E23-A25 PolarHBondContact O-N 2.91Å; A25-G27 PolarHBondContact O-N 2.81Å
26	Q	33.8	Very low	56.8	Low	160 Å²	160	92.6 Å²	92.6	75%	0.748	56%	0.557	S	S	*	*			trans	-73.1	68.1	174.5	-161.2	97.1	22.1	0	0	108.3	E24	E24-Q26 PolarHBondContact O-N 2.93Å
27	G	29.6	Very low	58.8	Low	48 Å²	48	88.4 Å²	88.4	50%	0.495	55%	0.545	S	S	.	.			trans	-70.3	131.1	-178.1	0	0	0	0	0	111.8	A25 K29	A25-G27 PolarHBondContact O-N 2.81Å; G27-K29 VanDerWaalsContact O-CG 3.3Å; G27-K29 WeakPolarHBondContact O-CG 3.37Å
28	D	29.9	Very low	60.8	Low	109 Å²	109	95 Å²	95	58%	0.583	55%	0.55	S	S	*	.			trans	-55.9	142	-171.2	-65.2	-43.3	0	0	0	114.5	T152	D28-T152 WeakPolarHBondContact O-CB 3.36Å; D28-T152 PolarHBondContact O-OG1 2.9Å
29	K	40.3	Very low	62.9	Low	50 Å²	50	88.3 Å²	88.3	22%	0.217	52%	0.52	C	S	.	.	B	Isolated β-bridge	trans	-129.8	163.3	-169.4	-57.2	171.9	-177.7	-170.9	0	110.1	G27 I31 D32 G33 P35 T152 M164	G27-K29 VanDerWaalsContact O-CG 3.3Å; G27-K29 WeakPolarHBondContact O-CG 3.37Å; K29-I31 PolarHBondContact O-N 2.86Å; K29-D32 PolarHBondContact O-N 3.4Å; K29-G33 WeakPolarHBondContact O-CA 3.39Å; K29-G33 PolarHBondContact O-N 3.23Å; K29-P35 HydrophobicContact CD-CG 3.62Å; K29-T152 HydrophobicContact CB-CG2 4.16Å; K29-M164 HydrophobicContact CB-CB 4.45Å; K29-M164 HydrophobicContact CB-CE 2.85Å; K29-M164 HydrophobicContact CB-CG 3.73Å; K29-M164 HydrophobicContact CB-SD 3.38Å; K29-M164 WeakPolarHBondContact CB-SD 3.42Å; K29-M164 HydrophobicContact CD-CE 3.32Å; K29-M164 HydrophobicContact CD-SD 3.41Å; K29-M164 WeakPolarHBondContact CD-SD 3.45Å; K29-M164 HydrophobicContact CG-CE 3.6Å; K29-M164 HydrophobicContact CG-SD 3.74Å
30	I	61.5	Low	65.1	Low	0 Å²	0	82 Å²	82	0%	0	50%	0.496	C	S	.	.	T	Hydrogen-bonded Turn	trans	8.3	105	-165.2	-76.6	-120.6	0	0	0	111.3	D32 G33 M164 V166 N199 D204	I30-D32 CarbonylContact O-C 3.52Å; I30-D32 PolarHBondContact O-N 2.82Å; I30-D32 VanDerWaalsContact O-N 3.07Å; I30-G33 VanDerWaalsContact O-CA 3.25Å; I30-G33 WeakPolarHBondContact O-CA 3.36Å; I30-G33 PolarHBondContact O-N 3.43Å; I30-M164 HydrophobicContact CB-CB 3.83Å; I30-M164 HydrophobicContact CD1-CB 4.41Å; I30-M164 HydrophobicContact CG1-CB 3.21Å; I30-M164 HydrophobicContact CG1-CG 4.32Å; I30-V166 HydrophobicContact CG2-CB 4.01Å; I30-V166 HydrophobicContact CG2-CG1 3.47Å; I30-V166 VanDerWaalsContact CG2-CG1 3.47Å; I30-N199 WeakPolarHBondContact CG2-O 3.38Å; I30-D204 HydrophobicContact CD1-CB 4.44Å; I30-D204 VanDerWaalsContact CD1-OD1 3.24Å; I30-D204 WeakPolarHBondContact CD1-OD1 3.34Å; I30-D204 WeakPolarHBondContact CD1-OD2 3.21Å
31	I	75.2	Confident	67.6	Low	14 Å²	14	77 Å²	77	7%	0.072	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-17.7	102.4	-159.3	-43.2	-57.3	0	0	0	114.1	K29 T152 K197 K198 N199 C201 C226	K29-I31 PolarHBondContact O-N 2.86Å; I31-T152 VanDerWaalsContact CD1-C 3.43Å; I31-T152 VanDerWaalsContact CD1-O 3.29Å; I31-T152 WeakPolarHBondContact CD1-O 3.47Å; I31-K197 HydrophobicContact CG2-CB 4Å; I31-K197 WeakPolarHBondContact CG2-O 3.39Å; I31-K198 VanDerWaalsContact O-CA 3.27Å; I31-K198 WeakPolarHBondContact O-CA 3.05Å; I31-N199 PolarHBondContact O-N 3.32Å; I31-C201 HydrophobicContact CD1-CB 4.04Å; I31-C201 HydrophobicContact CG1-CB 3.96Å; I31-C226 HydrophobicContact CD1-CB 4.11Å; I31-C226 HydrophobicContact CG1-CB 3.87Å
32	D	86.3	Confident	70	Confident	64 Å²	64	73.2 Å²	73.2	34%	0.342	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	37.9	-177.2	-170.9	30.8	0	0	0	115.3	K29 I30 K197 K198	K29-D32 PolarHBondContact O-N 3.4Å; I30-D32 CarbonylContact O-C 3.52Å; I30-D32 PolarHBondContact O-N 2.82Å; I30-D32 VanDerWaalsContact O-N 3.07Å; D32-K197 HydrophobicContact CB-CB 4.25Å; D32-K198 HydrophobicContact CB-CG 4.08Å; D32-K198 WeakPolarHBondContact O-CE 3.36Å; D32-K198 WeakPolarHBondContact O-CG 3.3Å; D32-K198 PolarHBondContact O-NZ 2.78Å; D32-K198 IonicContact OD1-NZ 3.88Å; D32-K198 PolarHBondContact OD1-NZ 2.95Å; D32-K198 WeakPolarHBondContact OD2-CG 3.29Å; D32-K198 IonicContact OD2-NZ 3.12Å; D32-K198 PolarHBondContact OD2-NZ 3.28Å
33	G	89.2	Confident	73	Confident	15 Å²	15	71 Å²	71	16%	0.155	40%	0.399	C	S	.	.	B	Isolated β-bridge	trans	-112.4	179.6	178.4	0	0	0	0	0	113.4	K29 I30 C165	K29-G33 WeakPolarHBondContact O-CA 3.39Å; K29-G33 PolarHBondContact O-N 3.23Å; I30-G33 VanDerWaalsContact O-CA 3.25Å; I30-G33 WeakPolarHBondContact O-CA 3.36Å; I30-G33 PolarHBondContact O-N 3.43Å; G33-C165 WeakPolarHBondContact CA-O 3.17Å
34	A	95.5	Very high	75.9	Confident	58 Å²	58	62.5 Å²	62.5	48%	0.479	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	152.9	-176.1	0	0	0	0	0	111.5	C36 M164 C165	A34-C36 PolarHBondContact O-N 2.86Å; A34-M164 WeakPolarHBondContact O-CE 3.26Å; A34-C165 PolarHBondContact N-O 2.7Å; A34-C165 PolarHBondContact O-N 2.84Å; A34-C165 VanDerWaalsContact O-O 3.13Å
35	P	97.2	Very high	78.8	Confident	55 Å²	55	54 Å²	54	36%	0.357	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.1	133.2	-176	-29	37.7	0	0	0	110.4	K29 M164	K29-P35 HydrophobicContact CD-CG 3.62Å; P35-M164 HydrophobicContact CB-CE 4.28Å; P35-M164 HydrophobicContact CG-CE 3.99Å; P35-M164 HydrophobicContact CG-SD 4.38Å
36	C	97.9	Very high	81.8	Confident	14 Å²	14	49.4 Å²	49.4	10%	0.095	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-60.1	145	175.9	-63.7	0	0	0	0	109.8	A34 R38 L163 M164 C165	A34-C36 PolarHBondContact O-N 2.86Å; C36-R38 PolarHBondContact O-N 2.92Å; C36-L163 HydrophobicContact CB-CD2 4.31Å; C36-L163 HydrophobicContact CB-CG 4.36Å; C36-L163 PolarHBondContact N-O 3.45Å; C36-M164 PolarHBondContact SG-O 3.39Å; C36-C165 VanDerWaalsContact CA-SG 3.59Å; C36-C165 HydrophobicContact CB-CB 4.06Å; C36-C165 WeakPolarHBondContact CB-SG 3.49Å; C36-C165 VanDerWaalsContact SG-CA 3.6Å; C36-C165 WeakPolarHBondContact SG-CB 3.34Å; C36-C165 PolarHBondContact SG-N 2.83Å; C36-C165 VanDerWaalsContact SG-N 3.37Å; C36-C165 CovalentContact SG-SG 2.03Å; C36-C165 PolarHBondContact SG-SG 2.79Å
37	A	97.5	Very high	84.9	Confident	69 Å²	69	41.8 Å²	41.8	57%	0.57	25%	0.247	S	C	*	.	P	Polyproline II helix	trans	-56.5	130.4	171.6	0	0	0	0	0	109.6	G39 S40	A37-G39 PolarHBondContact O-N 2.76Å; A37-S40 WeakPolarHBondContact O-CB 3.41Å; A37-S40 PolarHBondContact O-N 2.78Å; A37-S40 PolarHBondContact O-OG 2.91Å
38	R	96.9	Very high	88.2	Confident	232 Å²	232	39.6 Å²	39.6	88%	0.875	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	127.4	-173.2	-170	176.3	-175.8	164.4	3.7	111.9	C36 S40 D83	C36-R38 PolarHBondContact O-N 2.92Å; R38-S40 PolarHBondContact O-N 2.83Å; R38-D83 WeakPolarHBondContact CA-OD2 3.49Å; R38-D83 WeakPolarHBondContact CG-OD2 3.44Å
39	G	96.6	Very high	91.4	Very high	20 Å²	20	37.5 Å²	37.5	21%	0.206	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	8.8	179.6	0	0	0	0	0	115.6	A37 H41 P42 D83	A37-G39 PolarHBondContact O-N 2.76Å; G39-H41 VanDerWaalsContact C-N 3.33Å; G39-P42 WeakPolarHBondContact O-CD 3.44Å; G39-D83 PolarHBondContact N-OD2 3.36Å
40	S	98	Very high	94	Very high	52 Å²	52	37.5 Å²	37.5	36%	0.364	23%	0.231	S	C	.	.	S	Bend	trans	-75.2	-20.4	177.5	61.6	0	0	0	0	113.7	A37 R38 P42	A37-S40 WeakPolarHBondContact O-CB 3.41Å; A37-S40 PolarHBondContact O-N 2.78Å; A37-S40 PolarHBondContact O-OG 2.91Å; R38-S40 PolarHBondContact O-N 2.83Å; S40-P42 WeakPolarHBondContact O-CD 3.49Å
41	H	98.5	Very high	95.5	Very high	21 Å²	21	43.9 Å²	43.9	10%	0.097	27%	0.265	C	S	.	.			trans	-117.4	54.8	-178	-66.8	71.2	0	0	0	112.7	G39 W43 Q44 S147 L163 C165	G39-H41 VanDerWaalsContact C-N 3.33Å; H41-W43 HydrophobicContact CB-CZ2 4.49Å; H41-W43 AromaticContact CD2-CH2 3.81Å; H41-W43 AromaticContact CD2-CZ2 3.47Å; H41-W43 VanDerWaalsContact CD2-CZ2 3.47Å; H41-W43 WeakPolarHBondContact CD2-CZ2 3.36Å; H41-W43 PolarHBondContact O-N 2.72Å; H41-Q44 HydrophobicContact CB-CB 4.15Å; H41-Q44 VanDerWaalsContact O-CB 3.25Å; H41-Q44 WeakPolarHBondContact O-CB 3.43Å; H41-Q44 PolarHBondContact O-N 3.44Å; H41-S147 PolarHBondContact CD2-OG 3.48Å; H41-S147 VanDerWaalsContact CD2-OG 3.23Å; H41-L163 HydrophobicContact CB-CD2 3.73Å; H41-C165 PolarHBondContact CE1-SG 3.06Å
42	P	98.6	Very high	96.6	Very high	17 Å²	17	50.1 Å²	50.1	11%	0.11	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-1.7	-172.7	29.4	-35.8	0	0	0	114.5	G39 S40 M127 V128 K129	G39-P42 WeakPolarHBondContact O-CD 3.44Å; S40-P42 WeakPolarHBondContact O-CD 3.49Å; P42-M127 VanDerWaalsContact CA-O 3.29Å; P42-M127 WeakPolarHBondContact CA-O 3.38Å; P42-M127 VanDerWaalsContact CB-C 3.48Å; P42-M127 WeakPolarHBondContact CB-O 3.32Å; P42-V128 CarbonylContact O-C 3.52Å; P42-V128 VanDerWaalsContact O-CA 3.31Å; P42-V128 WeakPolarHBondContact O-CA 3.17Å; P42-K129 HydrophobicContact CB-CB 4.01Å; P42-K129 HydrophobicContact CB-CD 4.35Å; P42-K129 HydrophobicContact CB-CG 3.99Å; P42-K129 HydrophobicContact CG-CB 3.87Å; P42-K129 HydrophobicContact CG-CD 3.87Å; P42-K129 HydrophobicContact CG-CG 3.98Å; P42-K129 PolarHBondContact O-N 3.11Å
43	W	98.9	Very high	97.1	Very high	30 Å²	30	48.6 Å²	48.6	11%	0.114	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-9.9	178.1	37.4	-79.5	0	0	0	111.8	H41 V58 L59 K129 V131 P208 V210 L215	H41-W43 HydrophobicContact CB-CZ2 4.49Å; H41-W43 AromaticContact CD2-CH2 3.81Å; H41-W43 AromaticContact CD2-CZ2 3.47Å; H41-W43 VanDerWaalsContact CD2-CZ2 3.47Å; H41-W43 WeakPolarHBondContact CD2-CZ2 3.36Å; H41-W43 PolarHBondContact O-N 2.72Å; W43-V58 HydrophobicContact CE3-CB 4.39Å; W43-V58 HydrophobicContact CE3-CG1 3.94Å; W43-V58 HydrophobicContact CZ3-CG1 4.16Å; W43-V58 CarbonylContact O-C 3.48Å; W43-V58 VanDerWaalsContact O-CA 3.31Å; W43-V58 WeakPolarHBondContact O-CA 3.24Å; W43-L59 PolarHBondContact O-N 3.3Å; W43-K129 WeakPolarHBondContact CA-O 3.41Å; W43-K129 VanDerWaalsContact CB-O 3.26Å; W43-K129 WeakPolarHBondContact CB-O 3.44Å; W43-V131 HydrophobicContact CB-CB 3.84Å; W43-V131 HydrophobicContact CD2-CB 4.06Å; W43-V131 HydrophobicContact CD2-CG2 3.77Å; W43-V131 HydrophobicContact CE3-CB 3.8Å; W43-V131 HydrophobicContact CE3-CG2 3.33Å; W43-V131 HydrophobicContact CG-CB 4.02Å; W43-V131 HydrophobicContact CG-CG2 4.2Å; W43-V131 HydrophobicContact CZ3-CG2 3.81Å; W43-P208 HydrophobicContact CE3-CB 4.09Å; W43-P208 HydrophobicContact CE3-CG 4.17Å; W43-P208 HydrophobicContact CH2-CB 3.64Å; W43-P208 HydrophobicContact CH2-CG 3.64Å; W43-P208 HydrophobicContact CZ3-CB 3.1Å; W43-P208 HydrophobicContact CZ3-CG 3.35Å; W43-V210 HydrophobicContact CE3-CG2 4.42Å; W43-V210 HydrophobicContact CH2-CB 3.77Å; W43-V210 HydrophobicContact CH2-CG2 3.04Å; W43-V210 HydrophobicContact CZ2-CB 4.31Å; W43-V210 HydrophobicContact CZ2-CG2 3.77Å; W43-V210 HydrophobicContact CZ3-CB 4.48Å; W43-V210 HydrophobicContact CZ3-CG2 3.34Å; W43-L215 HydrophobicContact CZ3-CD1 4.41Å
44	Q	98.8	Very high	97.5	Very high	9 Å²	9	51.1 Å²	51.1	4%	0.042	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	138.3	171.8	-176.8	70.7	12.5	0	0	110.2	H41 S147 W149 L163	H41-Q44 HydrophobicContact CB-CB 4.15Å; H41-Q44 VanDerWaalsContact O-CB 3.25Å; H41-Q44 WeakPolarHBondContact O-CB 3.43Å; H41-Q44 PolarHBondContact O-N 3.44Å; Q44-S147 PolarHBondContact OE1-OG 3.43Å; Q44-W149 HydrophobicContact CB-CH2 4.48Å; Q44-W149 HydrophobicContact CG-CE3 4.47Å; Q44-W149 HydrophobicContact CG-CH2 3.45Å; Q44-W149 VanDerWaalsContact CG-CH2 3.45Å; Q44-W149 HydrophobicContact CG-CZ2 4.35Å; Q44-W149 HydrophobicContact CG-CZ3 3.51Å; Q44-L163 HydrophobicContact CB-CD2 4.1Å; Q44-L163 HydrophobicContact CG-CD1 3.71Å; Q44-L163 HydrophobicContact CG-CD2 3.87Å; Q44-L163 HydrophobicContact CG-CG 4.47Å
45	V	98.9	Very high	97.7	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.006	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	153.1	167.6	-53.3	0	0	0	0	111	G56 G57 L59 V65 V78 H79 L80	V45-G56 CarbonylContact O-C 3.51Å; V45-G56 WeakPolarHBondContact O-CA 3.17Å; V45-G57 VanDerWaalsContact CG2-C 3.4Å; V45-G57 PolarHBondContact N-O 3.3Å; V45-G57 PolarHBondContact O-N 2.03Å; V45-L59 HydrophobicContact CG1-CB 4.22Å; V45-V65 HydrophobicContact CG1-CG2 4.27Å; V45-V65 HydrophobicContact CG2-CB 4.43Å; V45-V65 HydrophobicContact CG2-CG1 3.53Å; V45-V65 HydrophobicContact CG2-CG2 3.98Å; V45-V78 HydrophobicContact CB-CG1 3.82Å; V45-V78 HydrophobicContact CG1-CG1 4.14Å; V45-V78 HydrophobicContact CG2-CG1 4.03Å; V45-H79 VanDerWaalsContact CA-O 3.28Å; V45-H79 WeakPolarHBondContact CA-O 3.42Å; V45-H79 WeakPolarHBondContact CB-O 3.39Å; V45-L80 HydrophobicContact CB-CG 4.41Å; V45-L80 HydrophobicContact CG1-CB 4.42Å; V45-L80 HydrophobicContact CG1-CD2 3.6Å; V45-L80 HydrophobicContact CG1-CG 3.67Å
46	A	98.8	Very high	97.8	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	132.7	164.7	0	0	0	0	0	109.4	L48 L53 V78 H79 L85 W149	A46-L48 HydrophobicContact CB-CD2 3.83Å; A46-L53 HydrophobicContact CB-CD1 3.92Å; A46-V78 WeakPolarHBondContact O-CA 3.25Å; A46-H79 HydrophobicContact CB-CB 4.02Å; A46-H79 PolarHBondContact N-O 2.91Å; A46-H79 VanDerWaalsContact N-O 3.1Å; A46-H79 PolarHBondContact O-N 2.94Å; A46-L85 HydrophobicContact CB-CD1 3.65Å; A46-W149 HydrophobicContact CB-CE3 3.87Å; A46-W149 HydrophobicContact CB-CH2 4.34Å; A46-W149 HydrophobicContact CB-CZ3 3.61Å
47	L	98.8	Very high	97.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	117.8	168.3	-61.2	-177.7	0	0	0	107.9	H54 C55 V65 T67 Y76 V78	L47-H54 WeakPolarHBondContact O-CA 3.34Å; L47-H54 WeakPolarHBondContact O-CB 3.49Å; L47-H54 PolarHBondContact O-N 2.88Å; L47-C55 HydrophobicContact CB-CB 4.42Å; L47-C55 HydrophobicContact CD1-CB 4.44Å; L47-C55 PolarHBondContact N-O 3.43Å; L47-C55 PolarHBondContact O-N 3.22Å; L47-V65 HydrophobicContact CD2-CG1 4.3Å; L47-T67 HydrophobicContact CD1-CG2 3.64Å; L47-T67 WeakPolarHBondContact CD1-OG1 3.48Å; L47-Y76 HydrophobicContact CB-CD1 4.16Å; L47-Y76 HydrophobicContact CD1-CD1 4.21Å; L47-Y76 HydrophobicContact CD1-CE1 4.39Å; L47-Y76 HydrophobicContact CD2-CD1 4.36Å; L47-Y76 HydrophobicContact CG-CD1 4.49Å; L47-V78 HydrophobicContact CD2-CB 4.5Å; L47-V78 HydrophobicContact CD2-CG1 4.29Å; L47-V78 HydrophobicContact CD2-CG2 3.78Å
48	L	98.6	Very high	97.9	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	137.9	-175.1	-47.9	179	0	0	0	111.5	A46 G50 Q52 L53 T77 H79 L85	A46-L48 HydrophobicContact CB-CD2 3.83Å; L48-G50 WeakPolarHBondContact CB-O 3.42Å; L48-Q52 CarbonylContact C-O 3.07Å; L48-Q52 WeakPolarHBondContact CA-O 3.3Å; L48-Q52 WeakPolarHBondContact CB-O 3.37Å; L48-L53 HydrophobicContact CD2-CD1 4.46Å; L48-T77 VanDerWaalsContact CB-O 3.31Å; L48-T77 WeakPolarHBondContact CB-O 3.16Å; L48-T77 HydrophobicContact CD1-CG2 4.41Å; L48-T77 WeakPolarHBondContact CG-O 3.23Å; L48-T77 PolarHBondContact N-O 3.32Å; L48-T77 PolarHBondContact O-N 2.9Å; L48-H79 HydrophobicContact CD1-CB 4.19Å; L48-L85 HydrophobicContact CD2-CD1 4.1Å
49	S	97.8	Very high	98	Very high	65 Å²	65	31.1 Å²	31.1	46%	0.455	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	102	160.9	-175.3	0	0	0	0	107.9	N51 Q52	S49-N51 PolarHBondContact O-N 2.88Å; S49-Q52 PolarHBondContact N-O 3.33Å; S49-Q52 PolarHBondContact O-N 3.25Å
50	G	94.5	Very high	98.1	Very high	49 Å²	49	30.8 Å²	30.8	51%	0.505	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	61	-108.1	-163.6	0	0	0	0	0	110.6	L48	L48-G50 WeakPolarHBondContact CB-O 3.42Å
51	N	93.7	Very high	98.1	Very high	134 Å²	134	29.9 Å²	29.9	72%	0.717	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.2	-0.5	176.5	-75.7	-34.7	0	0	0	114	S49 R92	S49-N51 PolarHBondContact O-N 2.88Å; N51-R92 PolarHBondContact OD1-NH1 2.85Å
52	Q	96.9	Very high	98.1	Very high	146 Å²	146	31 Å²	31	68%	0.682	17%	0.173	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.2	137.9	-179.9	-171.9	178.5	23.5	0	0	110.4	L48 S49 H54	L48-Q52 CarbonylContact C-O 3.07Å; L48-Q52 WeakPolarHBondContact CA-O 3.3Å; L48-Q52 WeakPolarHBondContact CB-O 3.37Å; S49-Q52 PolarHBondContact N-O 3.33Å; S49-Q52 PolarHBondContact O-N 3.25Å; Q52-H54 PolarHBondContact O-N 2.8Å
53	L	98	Very high	98.1	Very high	31 Å²	31	34.9 Å²	34.9	16%	0.162	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	127.3	173	-178	66.4	0	0	0	110.4	A46 L48 L85 W149 F159	A46-L53 HydrophobicContact CB-CD1 3.92Å; L48-L53 HydrophobicContact CD2-CD1 4.46Å; L53-L85 HydrophobicContact CB-CD2 4.03Å; L53-L85 HydrophobicContact CD1-CD1 4.49Å; L53-L85 HydrophobicContact CD2-CD2 4.39Å; L53-W149 HydrophobicContact CD2-CB 3.86Å; L53-W149 WeakPolarHBondContact CD2-O 3.42Å; L53-F159 HydrophobicContact CD2-CD1 4.44Å
54	H	98	Very high	98.1	Very high	69 Å²	69	33.8 Å²	33.8	32%	0.319	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	-51.9	169.4	-178.7	62.7	0	0	0	110.8	L47 Q52 C71 M73	L47-H54 WeakPolarHBondContact O-CA 3.34Å; L47-H54 WeakPolarHBondContact O-CB 3.49Å; L47-H54 PolarHBondContact O-N 2.88Å; Q52-H54 PolarHBondContact O-N 2.8Å; H54-C71 PolarHBondContact NE2-O 2.97Å; H54-M73 HydrophobicContact CB-CE 3.79Å; H54-M73 HydrophobicContact CB-SD 4.13Å
55	C	98.7	Very high	98.1	Very high	5 Å²	5	33.3 Å²	33.3	3%	0.034	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	167.4	-179.3	-80.2	0	0	0	0	111	L47 C71 S205	L47-C55 HydrophobicContact CB-CB 4.42Å; L47-C55 HydrophobicContact CD1-CB 4.44Å; L47-C55 PolarHBondContact N-O 3.43Å; L47-C55 PolarHBondContact O-N 3.22Å; C55-C71 HydrophobicContact CB-CB 3.67Å; C55-C71 WeakPolarHBondContact CB-SG 3.5Å; C55-C71 WeakPolarHBondContact SG-CB 3.49Å; C55-C71 CovalentContact SG-SG 2.03Å; C55-C71 PolarHBondContact SG-SG 3.02Å; C55-S205 VanDerWaalsContact CB-O 3.28Å; C55-S205 WeakPolarHBondContact CB-O 3.32Å
56	G	98.7	Very high	98.1	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-178.5	160.3	0	0	0	0	0	113.1	V45 T67 G203 S205	V45-G56 CarbonylContact O-C 3.51Å; V45-G56 WeakPolarHBondContact O-CA 3.17Å; G56-T67 PolarHBondContact O-OG1 2.88Å; G56-G203 PolarHBondContact N-O 3.38Å; G56-S205 WeakPolarHBondContact CA-O 3.19Å; G56-S205 PolarHBondContact N-O 3.14Å
57	G	98.9	Very high	98.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.2	176.7	173.8	0	0	0	0	0	110.7	V45 L66 G206	V45-G57 VanDerWaalsContact CG2-C 3.4Å; V45-G57 PolarHBondContact N-O 3.3Å; V45-G57 PolarHBondContact O-N 2.03Å; G57-L66 CarbonylContact C-O 3.54Å; G57-L66 WeakPolarHBondContact CA-O 3.31Å; G57-G206 WeakPolarHBondContact CA-O 3.41Å
58	V	98.9	Very high	98.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	135.6	176.8	-59.2	0	0	0	0	112	W43 V60 V65 L66 V131 P208 L215 L218	W43-V58 HydrophobicContact CE3-CB 4.39Å; W43-V58 HydrophobicContact CE3-CG1 3.94Å; W43-V58 HydrophobicContact CZ3-CG1 4.16Å; W43-V58 CarbonylContact O-C 3.48Å; W43-V58 VanDerWaalsContact O-CA 3.31Å; W43-V58 WeakPolarHBondContact O-CA 3.24Å; V58-V60 HydrophobicContact CG2-CG2 4.34Å; V58-V60 PolarHBondContact O-N 3.29Å; V58-V65 CarbonylContact O-C 3.42Å; V58-V65 VanDerWaalsContact O-CA 3.26Å; V58-V65 WeakPolarHBondContact O-CA 3.41Å; V58-L66 HydrophobicContact CG2-CB 3.73Å; V58-L66 HydrophobicContact CG2-CD2 4.31Å; V58-L66 HydrophobicContact CG2-CG 4.38Å; V58-L66 PolarHBondContact N-O 2.75Å; V58-L66 PolarHBondContact O-N 3Å; V58-V131 HydrophobicContact CB-CG1 4.24Å; V58-V131 HydrophobicContact CG2-CG1 4.14Å; V58-P208 HydrophobicContact CG1-CB 3.6Å; V58-P208 HydrophobicContact CG1-CG 4.01Å; V58-L215 HydrophobicContact CG1-CD1 4.13Å; V58-L215 HydrophobicContact CG2-CD2 3.73Å; V58-L218 HydrophobicContact CG2-CD2 4.12Å
59	L	98.9	Very high	98.1	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	111.7	174.7	-169.8	68.4	0	0	0	110.1	W43 V45 N61 V65 L80 L118 A122 L124 V128 K130 V131	W43-L59 PolarHBondContact O-N 3.3Å; V45-L59 HydrophobicContact CG1-CB 4.22Å; L59-N61 WeakPolarHBondContact CD1-O 3.36Å; L59-N61 WeakPolarHBondContact CG-O 3.44Å; L59-V65 HydrophobicContact CD1-CG2 4.07Å; L59-L80 HydrophobicContact CD1-CD2 3.8Å; L59-L80 HydrophobicContact CD2-CD2 4.03Å; L59-L80 HydrophobicContact CG-CD2 4.38Å; L59-L118 HydrophobicContact CD1-CD1 4.26Å; L59-A122 HydrophobicContact CD1-CB 4.31Å; L59-A122 HydrophobicContact CD2-CB 4.31Å; L59-L124 HydrophobicContact CD2-CD2 4.21Å; L59-V128 HydrophobicContact CD2-CG1 3.63Å; L59-K130 CarbonylContact O-C 3.46Å; L59-K130 WeakPolarHBondContact O-CA 3.3Å; L59-V131 PolarHBondContact O-N 2.71Å
60	V	98.8	Very high	98.1	Very high	13 Å²	13	33 Å²	33	8%	0.079	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-37.7	179	-179.7	0	0	0	0	111.2	V58 W64 L66 V131 L133 I245 M249	V58-V60 HydrophobicContact CG2-CG2 4.34Å; V58-V60 PolarHBondContact O-N 3.29Å; V60-W64 PolarHBondContact N-O 3.22Å; V60-L66 HydrophobicContact CG2-CB 3.52Å; V60-L66 HydrophobicContact CG2-CD2 4.4Å; V60-V131 HydrophobicContact CG2-CG1 4.37Å; V60-L133 HydrophobicContact CG1-CD1 3.95Å; V60-L133 HydrophobicContact CG1-CG 4.33Å; V60-I245 HydrophobicContact CG1-CG2 4.42Å; V60-M249 HydrophobicContact CB-SD 4.49Å; V60-M249 HydrophobicContact CG1-CE 4.01Å; V60-M249 HydrophobicContact CG1-SD 3.89Å
61	N	98.1	Very high	98.3	Very high	33 Å²	33	30.6 Å²	30.6	18%	0.176	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	-176.1	168.3	66	46.5	0	0	0	110.1	L59 R63 W64 K130 M249	L59-N61 WeakPolarHBondContact CD1-O 3.36Å; L59-N61 WeakPolarHBondContact CG-O 3.44Å; N61-R63 PolarHBondContact O-N 2.87Å; N61-R63 PolarHBondContact OD1-N 2.78Å; N61-W64 PolarHBondContact N-O 2.86Å; N61-W64 VanDerWaalsContact ND2-CD1 3.33Å; N61-W64 PolarHBondContact O-N 2.94Å; N61-W64 WeakPolarHBondContact OD1-CB 3.28Å; N61-W64 PolarHBondContact OD1-N 3.05Å; N61-K130 HydrophobicContact CB-CD 4.16Å; N61-M249 PolarHBondContact ND2-SD 2.7Å
62	E	98.5	Very high	98.6	Very high	45 Å²	45	28.3 Å²	28.3	21%	0.21	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-11.1	-173.7	-53.1	88	158.6	0	0	114.6	Q121 A122 L124 K130	E62-Q121 HydrophobicContact CB-CG 3.28Å; E62-Q121 HydrophobicContact CG-CG 4.1Å; E62-Q121 CarbonylContact O-C 3.47Å; E62-Q121 WeakPolarHBondContact O-CA 3.43Å; E62-A122 PolarHBondContact O-N 3.45Å; E62-L124 HydrophobicContact CG-CD1 3.78Å; E62-L124 HydrophobicContact CG-CD2 3.99Å; E62-L124 HydrophobicContact CG-CG 3.77Å; E62-L124 WeakPolarHBondContact OE1-CD1 3.37Å; E62-K130 WeakPolarHBondContact OE1-CE 2.99Å; E62-K130 IonicContact OE1-NZ 2.83Å; E62-K130 PolarHBondContact OE1-NZ 3.07Å; E62-K130 WeakPolarHBondContact OE2-CE 3Å; E62-K130 IonicContact OE2-NZ 3.33Å; E62-K130 PolarHBondContact OE2-NZ 3.28Å
63	R	98.6	Very high	98.6	Very high	99 Å²	99	22.8 Å²	22.8	37%	0.374	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.4	-1.7	176.8	-68.9	-144	-73	-99.2	10.9	114.2	N61 K117 L118 R253	N61-R63 PolarHBondContact O-N 2.87Å; N61-R63 PolarHBondContact OD1-N 2.78Å; R63-K117 WeakPolarHBondContact O-CA 3.4Å; R63-L118 PolarHBondContact O-N 2.72Å; R63-R253 PolarHBondContact NH2-OXT 3.38Å
64	W	98.8	Very high	98.6	Very high	6 Å²	6	28.7 Å²	28.7	2%	0.023	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	123.3	-168	-69.6	100.4	0	0	0	111.7	V60 N61 F99 L115 V116 K117 M249 H252	V60-W64 PolarHBondContact N-O 3.22Å; N61-W64 PolarHBondContact N-O 2.86Å; N61-W64 VanDerWaalsContact ND2-CD1 3.33Å; N61-W64 PolarHBondContact O-N 2.94Å; N61-W64 WeakPolarHBondContact OD1-CB 3.28Å; N61-W64 PolarHBondContact OD1-N 3.05Å; W64-F99 AromaticContact CH2-CD2 3.82Å; W64-F99 HydrophobicContact CH2-CD2 3.82Å; W64-F99 AromaticContact CH2-CE2 3.47Å; W64-F99 HydrophobicContact CH2-CE2 3.47Å; W64-F99 VanDerWaalsContact CH2-CE2 3.47Å; W64-F99 HydrophobicContact CH2-CZ 4.31Å; W64-F99 AromaticContact CZ3-CD2 3.62Å; W64-F99 HydrophobicContact CZ3-CD2 3.62Å; W64-F99 AromaticContact CZ3-CE2 3.63Å; W64-F99 HydrophobicContact CZ3-CE2 3.63Å; W64-L115 HydrophobicContact CB-CD2 4.45Å; W64-L115 HydrophobicContact CE3-CB 3.87Å; W64-L115 HydrophobicContact CE3-CD2 4.21Å; W64-L115 HydrophobicContact CE3-CG 4.46Å; W64-L115 HydrophobicContact CZ3-CB 3.85Å; W64-V116 WeakPolarHBondContact CA-O 3.27Å; W64-K117 HydrophobicContact CD2-CB 4.46Å; W64-K117 HydrophobicContact CD2-CG 4.41Å; W64-K117 HydrophobicContact CE3-CB 3.96Å; W64-K117 HydrophobicContact CE3-CG 4.4Å; W64-K117 HydrophobicContact CH2-CB 3.8Å; W64-K117 HydrophobicContact CH2-CD 3.99Å; W64-K117 HydrophobicContact CH2-CG 4.01Å; W64-K117 HydrophobicContact CZ2-CB 4.28Å; W64-K117 HydrophobicContact CZ2-CD 3.88Å; W64-K117 HydrophobicContact CZ2-CG 3.98Å; W64-K117 HydrophobicContact CZ3-CB 3.61Å; W64-K117 HydrophobicContact CZ3-CG 4.2Å; W64-M249 HydrophobicContact CB-CG 4.26Å; W64-M249 HydrophobicContact CB-SD 3.8Å; W64-M249 HydrophobicContact CD2-CG 3.8Å; W64-M249 HydrophobicContact CD2-SD 4.49Å; W64-M249 HydrophobicContact CE3-CG 4.42Å; W64-M249 HydrophobicContact CG-CG 3.71Å; W64-M249 HydrophobicContact CG-SD 3.8Å; W64-H252 HydrophobicContact CH2-CB 3.74Å; W64-H252 HydrophobicContact CZ2-CB 3.85Å; W64-H252 WeakPolarHBondContact CZ2-O 3.4Å
65	V	98.9	Very high	98.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	141	167.6	167.6	0	0	0	0	108.6	V45 L47 V58 L59 V78 L115 V116 L118	V45-V65 HydrophobicContact CG1-CG2 4.27Å; V45-V65 HydrophobicContact CG2-CB 4.43Å; V45-V65 HydrophobicContact CG2-CG1 3.53Å; V45-V65 HydrophobicContact CG2-CG2 3.98Å; L47-V65 HydrophobicContact CD2-CG1 4.3Å; V58-V65 CarbonylContact O-C 3.42Å; V58-V65 VanDerWaalsContact O-CA 3.26Å; V58-V65 WeakPolarHBondContact O-CA 3.41Å; L59-V65 HydrophobicContact CD1-CG2 4.07Å; V65-V78 HydrophobicContact CG2-CG1 4.04Å; V65-L115 CarbonylContact O-C 3.57Å; V65-L115 WeakPolarHBondContact O-CA 3.46Å; V65-V116 HydrophobicContact CB-CB 4.26Å; V65-V116 PolarHBondContact N-O 2.6Å; V65-V116 PolarHBondContact O-N 3.11Å; V65-L118 HydrophobicContact CG2-CD2 4.04Å
66	L	98.9	Very high	98.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	138.7	168.6	179.9	71.5	0	0	0	108.7	G57 V58 V60 L113 L115 L215 L218 W244 I245	G57-L66 CarbonylContact C-O 3.54Å; G57-L66 WeakPolarHBondContact CA-O 3.31Å; V58-L66 HydrophobicContact CG2-CB 3.73Å; V58-L66 HydrophobicContact CG2-CD2 4.31Å; V58-L66 HydrophobicContact CG2-CG 4.38Å; V58-L66 PolarHBondContact N-O 2.75Å; V58-L66 PolarHBondContact O-N 3Å; V60-L66 HydrophobicContact CG2-CB 3.52Å; V60-L66 HydrophobicContact CG2-CD2 4.4Å; L66-L113 HydrophobicContact CD1-CB 4.38Å; L66-L113 HydrophobicContact CD1-CD1 4.49Å; L66-L115 HydrophobicContact CB-CD2 4.22Å; L66-L115 HydrophobicContact CD1-CD2 4.09Å; L66-L115 HydrophobicContact CD1-CG 4.18Å; L66-L215 HydrophobicContact CD2-CD2 4.05Å; L66-L218 HydrophobicContact CD1-CD1 4.21Å; L66-L218 HydrophobicContact CD2-CD1 3.88Å; L66-L218 HydrophobicContact CD2-CD2 4.14Å; L66-L218 HydrophobicContact CD2-CG 4.42Å; L66-L218 HydrophobicContact CG-CD1 3.69Å; L66-L218 HydrophobicContact CG-CD2 4.19Å; L66-W244 HydrophobicContact CD1-CZ3 4.37Å; L66-I245 HydrophobicContact CD1-CD1 4.41Å; L66-I245 HydrophobicContact CD1-CG1 4.34Å; L66-I245 HydrophobicContact CD2-CD1 3.78Å
67	T	98.9	Very high	98.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	-177.5	-179.2	-173.6	0	0	0	0	109.1	L47 G56 L113 M114 V116 G206	L47-T67 HydrophobicContact CD1-CG2 3.64Å; L47-T67 WeakPolarHBondContact CD1-OG1 3.48Å; G56-T67 PolarHBondContact O-OG1 2.88Å; T67-L113 CarbonylContact O-C 3.5Å; T67-L113 WeakPolarHBondContact O-CA 3.21Å; T67-M114 HydrophobicContact CG2-CB 4.27Å; T67-M114 HydrophobicContact CG2-CE 3.51Å; T67-M114 PolarHBondContact N-O 3.22Å; T67-M114 PolarHBondContact O-N 3.45Å; T67-V116 HydrophobicContact CG2-CG2 3.84Å; T67-G206 WeakPolarHBondContact OG1-CA 3.48Å
68	A	98.8	Very high	98.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.144	C	C	.	.			trans	-74.5	147.8	173.6	0	0	0	0	0	111.3	H70 C71 G206	A68-H70 VanDerWaalsContact C-N 3.33Å; A68-C71 WeakPolarHBondContact O-CB 3.42Å; A68-C71 PolarHBondContact O-N 3.28Å; A68-G206 VanDerWaalsContact N-CA 3.27Å
69	A	98.9	Very high	98.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-70	-29.8	179.3	0	0	0	0	0	113.2	C71 K72 R100 Y104 D112 M114	A69-C71 PolarHBondContact O-N 3.23Å; A69-K72 WeakPolarHBondContact O-CB 3.37Å; A69-K72 PolarHBondContact O-N 2.82Å; A69-R100 HydrophobicContact CB-CB 4.2Å; A69-R100 HydrophobicContact CB-CG 3.87Å; A69-R100 WeakPolarHBondContact O-CD 3.44Å; A69-Y104 HydrophobicContact CB-CD1 3.88Å; A69-Y104 HydrophobicContact CB-CD2 3.53Å; A69-Y104 HydrophobicContact CB-CE1 4.16Å; A69-Y104 HydrophobicContact CB-CE2 3.85Å; A69-Y104 HydrophobicContact CB-CG 3.53Å; A69-D112 VanDerWaalsContact CA-OD1 3.3Å; A69-D112 WeakPolarHBondContact CA-OD1 3.34Å; A69-D112 WeakPolarHBondContact CB-OD1 3.36Å; A69-D112 PolarHBondContact N-OD1 2.97Å; A69-M114 HydrophobicContact CB-CB 4.32Å
70	H	98.6	Very high	98.6	Very high	60 Å²	60	30.3 Å²	30.3	28%	0.278	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-67.9	-15.5	175.1	75.5	-101.8	0	0	0	113.1	A68 K72 Y104 D112 S205 S220	A68-H70 VanDerWaalsContact C-N 3.33Å; H70-K72 PolarHBondContact O-N 3.11Å; H70-Y104 WeakPolarHBondContact CB-OH 3.38Å; H70-D112 IonicContact CE1-OD2 3.9Å; H70-D112 PolarHBondContact CE1-OD2 3.14Å; H70-D112 IonicContact CG-OD1 3.88Å; H70-D112 IonicContact CG-OD2 2.75Å; H70-D112 PolarHBondContact N-OD1 2.71Å; H70-D112 IonicContact ND1-OD1 2.72Å; H70-D112 PolarHBondContact ND1-OD1 2.92Å; H70-D112 IonicContact ND1-OD2 3.43Å; H70-D112 PolarHBondContact ND1-OD2 3Å; H70-S205 VanDerWaalsContact CE1-CB 3.46Å; H70-S205 WeakPolarHBondContact CE1-CB 3.03Å; H70-S205 PolarHBondContact CE1-OG 2.98Å; H70-S205 VanDerWaalsContact CE1-OG 3.29Å; H70-S205 WeakPolarHBondContact NE2-CB 3.08Å; H70-S205 PolarHBondContact NE2-OG 3.19Å; H70-S220 PolarHBondContact CE1-O 3.2Å
71	C	98.7	Very high	98.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-79.4	14.6	173.6	-61.4	0	0	0	0	113.8	H54 C55 A68 A69 M73 Y76	H54-C71 PolarHBondContact NE2-O 2.97Å; C55-C71 HydrophobicContact CB-CB 3.67Å; C55-C71 WeakPolarHBondContact CB-SG 3.5Å; C55-C71 WeakPolarHBondContact SG-CB 3.49Å; C55-C71 CovalentContact SG-SG 2.03Å; C55-C71 PolarHBondContact SG-SG 3.02Å; A68-C71 WeakPolarHBondContact O-CB 3.42Å; A68-C71 PolarHBondContact O-N 3.28Å; A69-C71 PolarHBondContact O-N 3.23Å; C71-M73 PolarHBondContact O-N 3.37Å; C71-Y76 WeakPolarHBondContact O-CE1 3.27Å
72	K	98.6	Very high	98.5	Very high	85 Å²	85	30 Å²	30	37%	0.37	15%	0.149	S	C	.	.			trans	-69	118.9	-174.8	176.1	73.6	-172.6	-175.3	0	111.4	A69 H70 Y76 S98 M114	A69-K72 WeakPolarHBondContact O-CB 3.37Å; A69-K72 PolarHBondContact O-N 2.82Å; H70-K72 PolarHBondContact O-N 3.11Å; K72-Y76 WeakPolarHBondContact CA-OH 3.32Å; K72-S98 VanDerWaalsContact CD-OG 3.24Å; K72-S98 WeakPolarHBondContact CD-OG 3.23Å; K72-S98 WeakPolarHBondContact CE-OG 3.36Å; K72-S98 PolarHBondContact NZ-O 3.17Å; K72-S98 PolarHBondContact NZ-OG 2.82Å; K72-M114 HydrophobicContact CB-CE 4.31Å; K72-M114 HydrophobicContact CB-SD 3.94Å; K72-M114 HydrophobicContact CD-CE 4.47Å; K72-M114 HydrophobicContact CD-SD 3.44Å; K72-M114 WeakPolarHBondContact CD-SD 3.49Å; K72-M114 HydrophobicContact CG-SD 4.26Å
73	M	98.4	Very high	98.5	Very high	31 Å²	31	28.8 Å²	28.8	15%	0.153	14%	0.144	C	C	.	.			trans	-119.6	171.7	164.7	-58.9	-171.3	-67.5	0	0	112	H54 C71 Y76	H54-M73 HydrophobicContact CB-CE 3.79Å; H54-M73 HydrophobicContact CB-SD 4.13Å; C71-M73 PolarHBondContact O-N 3.37Å; M73-Y76 HydrophobicContact CB-CD1 4.28Å; M73-Y76 HydrophobicContact CB-CE1 3.79Å; M73-Y76 HydrophobicContact CE-CD1 3.35Å; M73-Y76 HydrophobicContact CE-CE1 3.81Å; M73-Y76 HydrophobicContact CE-CG 4.19Å; M73-Y76 HydrophobicContact CG-CE1 4.21Å; M73-Y76 PolarHBondContact N-OH 3.31Å; M73-Y76 PolarHBondContact O-OH 3.4Å
74	N	98	Very high	98.5	Very high	155 Å²	155	26.7 Å²	26.7	83%	0.829	14%	0.142	S	C	*	.	S	Bend	trans	-71.8	-42.8	174.8	-72.2	-16.8	0	0	0	112.5
75	E	98	Very high	98.3	Very high	80 Å²	80	28.3 Å²	28.3	37%	0.374	15%	0.151	S	C	.	.			trans	-139.7	152	176.3	177.8	163.9	119.9	0	0	109.4	K94 A95 S96	E75-K94 WeakPolarHBondContact OE1-CD 3.5Å; E75-K94 WeakPolarHBondContact OE1-CE 3.37Å; E75-K94 IonicContact OE1-NZ 3.67Å; E75-K94 PolarHBondContact OE1-NZ 2.76Å; E75-A95 WeakPolarHBondContact CA-O 3.3Å; E75-S96 PolarHBondContact OE2-OG 3.4Å
76	Y	98.3	Very high	98.1	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.008	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	147.4	175.9	-42.4	-102.1	0	0	0	109.1	L47 C71 K72 M73 K94 A95 S98 M114 V116	L47-Y76 HydrophobicContact CB-CD1 4.16Å; L47-Y76 HydrophobicContact CD1-CD1 4.21Å; L47-Y76 HydrophobicContact CD1-CE1 4.39Å; L47-Y76 HydrophobicContact CD2-CD1 4.36Å; L47-Y76 HydrophobicContact CG-CD1 4.49Å; C71-Y76 WeakPolarHBondContact O-CE1 3.27Å; K72-Y76 WeakPolarHBondContact CA-OH 3.32Å; M73-Y76 HydrophobicContact CB-CD1 4.28Å; M73-Y76 HydrophobicContact CB-CE1 3.79Å; M73-Y76 HydrophobicContact CE-CD1 3.35Å; M73-Y76 HydrophobicContact CE-CE1 3.81Å; M73-Y76 HydrophobicContact CE-CG 4.19Å; M73-Y76 HydrophobicContact CG-CE1 4.21Å; M73-Y76 PolarHBondContact N-OH 3.31Å; M73-Y76 PolarHBondContact O-OH 3.4Å; Y76-K94 CarbonylContact O-C 3.52Å; Y76-K94 WeakPolarHBondContact O-CA 3.33Å; Y76-A95 HydrophobicContact CD2-CB 4.13Å; Y76-A95 WeakPolarHBondContact CD2-O 3.45Å; Y76-A95 PolarHBondContact N-O 3.29Å; Y76-A95 PolarHBondContact O-N 3.12Å; Y76-S98 PolarHBondContact OH-OG 3.45Å; Y76-M114 HydrophobicContact CE1-CE 4.41Å; Y76-M114 WeakPolarHBondContact OH-CE 3.34Å; Y76-V116 HydrophobicContact CD2-CG1 3.87Å; Y76-V116 HydrophobicContact CE2-CG1 4.13Å; Y76-V116 HydrophobicContact CE2-CG2 4.42Å; Y76-V116 HydrophobicContact CG-CG1 4.45Å
77	T	98.6	Very high	98	Very high	25 Å²	25	32.7 Å²	32.7	15%	0.153	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	118.6	152.6	-63.4	0	0	0	0	107.9	L48 R92	L48-T77 VanDerWaalsContact CB-O 3.31Å; L48-T77 WeakPolarHBondContact CB-O 3.16Å; L48-T77 HydrophobicContact CD1-CG2 4.41Å; L48-T77 WeakPolarHBondContact CG-O 3.23Å; L48-T77 PolarHBondContact N-O 3.32Å; L48-T77 PolarHBondContact O-N 2.9Å; T77-R92 HydrophobicContact CG2-CB 4.03Å; T77-R92 HydrophobicContact CG2-CG 4.39Å
78	V	98.7	Very high	97.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	119	179.1	-172.4	0	0	0	0	109	V45 A46 L47 V65 L80 R92 I93 A95 L118	V45-V78 HydrophobicContact CB-CG1 3.82Å; V45-V78 HydrophobicContact CG1-CG1 4.14Å; V45-V78 HydrophobicContact CG2-CG1 4.03Å; A46-V78 WeakPolarHBondContact O-CA 3.25Å; L47-V78 HydrophobicContact CD2-CB 4.5Å; L47-V78 HydrophobicContact CD2-CG1 4.29Å; L47-V78 HydrophobicContact CD2-CG2 3.78Å; V65-V78 HydrophobicContact CG2-CG1 4.04Å; V78-L80 HydrophobicContact CB-CD1 4.21Å; V78-L80 HydrophobicContact CG1-CD1 3.78Å; V78-L80 HydrophobicContact CG1-CD2 4.48Å; V78-L80 HydrophobicContact CG1-CG 4.02Å; V78-L80 WeakPolarHBondContact O-CD1 3.46Å; V78-R92 VanDerWaalsContact O-CA 3.3Å; V78-R92 WeakPolarHBondContact O-CA 3.47Å; V78-I93 WeakPolarHBondContact CB-O 3.1Å; V78-I93 PolarHBondContact N-O 2.85Å; V78-I93 PolarHBondContact O-N 3.1Å; V78-A95 HydrophobicContact CG2-CB 4.07Å; V78-L118 HydrophobicContact CB-CD2 3.96Å; V78-L118 HydrophobicContact CG1-CD2 4.17Å; V78-L118 HydrophobicContact CG2-CD2 3.57Å
79	H	98.6	Very high	97.6	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	129.3	174	177.6	113.7	0	0	0	110.1	V45 A46 L48 A90 Q91	V45-H79 VanDerWaalsContact CA-O 3.28Å; V45-H79 WeakPolarHBondContact CA-O 3.42Å; V45-H79 WeakPolarHBondContact CB-O 3.39Å; A46-H79 HydrophobicContact CB-CB 4.02Å; A46-H79 PolarHBondContact N-O 2.91Å; A46-H79 VanDerWaalsContact N-O 3.1Å; A46-H79 PolarHBondContact O-N 2.94Å; L48-H79 HydrophobicContact CD1-CB 4.19Å; H79-A90 WeakPolarHBondContact CE1-CB 3.35Å; H79-A90 WeakPolarHBondContact NE2-CB 3.47Å; H79-Q91 WeakPolarHBondContact CA-O 3.12Å
80	L	98.6	Very high	97.6	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	151.5	179.1	-44.4	90.9	0	0	0	111.2	V45 L59 V78 Q91 I93 A122 V128	V45-L80 HydrophobicContact CB-CG 4.41Å; V45-L80 HydrophobicContact CG1-CB 4.42Å; V45-L80 HydrophobicContact CG1-CD2 3.6Å; V45-L80 HydrophobicContact CG1-CG 3.67Å; L59-L80 HydrophobicContact CD1-CD2 3.8Å; L59-L80 HydrophobicContact CD2-CD2 4.03Å; L59-L80 HydrophobicContact CG-CD2 4.38Å; V78-L80 HydrophobicContact CB-CD1 4.21Å; V78-L80 HydrophobicContact CG1-CD1 3.78Å; V78-L80 HydrophobicContact CG1-CD2 4.48Å; V78-L80 HydrophobicContact CG1-CG 4.02Å; V78-L80 WeakPolarHBondContact O-CD1 3.46Å; L80-Q91 HydrophobicContact CB-CB 4.38Å; L80-Q91 HydrophobicContact CD1-CB 4.46Å; L80-Q91 HydrophobicContact CD1-CG 4.23Å; L80-Q91 PolarHBondContact N-O 2.86Å; L80-Q91 PolarHBondContact O-N 3.26Å; L80-I93 HydrophobicContact CD1-CD1 4.29Å; L80-A122 HydrophobicContact CD2-CB 4.19Å; L80-V128 HydrophobicContact CB-CG1 4.48Å; L80-V128 HydrophobicContact CB-CG2 4.26Å; L80-V128 HydrophobicContact CD2-CG1 4.33Å
81	G	97.9	Very high	97.6	Very high	22 Å²	22	54.7 Å²	54.7	23%	0.227	27%	0.27	C	S	.	.	S	Bend	trans	84.7	16.3	165.3	0	0	0	0	0	116.2	M127 V128	G81-M127 WeakPolarHBondContact CA-O 3.25Å; G81-V128 VanDerWaalsContact CA-CG2 3.45Å
82	S	97.7	Very high	97.5	Very high	17 Å²	17	58.8 Å²	58.8	12%	0.119	29%	0.285	C	S	.	.			trans	-142.6	144.5	167.2	-168	0	0	0	0	109.9	T84 D87	S82-T84 VanDerWaalsContact C-N 3.27Å; S82-T84 PolarHBondContact OG-N 2.98Å; S82-D87 WeakPolarHBondContact CB-OD2 3.42Å; S82-D87 WeakPolarHBondContact OG-CB 3.23Å; S82-D87 PolarHBondContact OG-OD2 2.86Å
83	D	97.7	Very high	97.5	Very high	20 Å²	20	54.9 Å²	54.9	11%	0.107	27%	0.269	C	S	.	.	S	Bend	trans	-79.3	-16	171.9	-56.6	-51.8	0	0	0	110.8	R38 G39 W149 D162 L163	R38-D83 WeakPolarHBondContact CA-OD2 3.49Å; R38-D83 WeakPolarHBondContact CG-OD2 3.44Å; G39-D83 PolarHBondContact N-OD2 3.36Å; D83-W149 PolarHBondContact O-NE1 3.29Å; D83-D162 CarbonylContact O-C 3.51Å; D83-L163 HydrophobicContact CB-CB 4.14Å; D83-L163 WeakPolarHBondContact O-CB 3.3Å; D83-L163 PolarHBondContact O-N 2.96Å
84	T	98	Very high	97.5	Very high	54 Å²	54	58.9 Å²	58.9	33%	0.331	29%	0.285	S	S	.	.	B	Isolated β-bridge	trans	-96	113.6	179	-54.9	0	0	0	0	110.5	S82 G86 D87 S161 D162	S82-T84 VanDerWaalsContact C-N 3.27Å; S82-T84 PolarHBondContact OG-N 2.98Å; T84-G86 PolarHBondContact O-N 2.8Å; T84-D87 VanDerWaalsContact O-CB 3.25Å; T84-D87 WeakPolarHBondContact O-CB 3.43Å; T84-D87 PolarHBondContact O-N 3.42Å; T84-D87 VanDerWaalsContact O-N 3.17Å; T84-S161 CarbonylContact C-O 3.52Å; T84-S161 WeakPolarHBondContact CA-O 3.39Å; T84-D162 PolarHBondContact OG1-OD1 2.93Å
85	L	96.3	Very high	97.6	Very high	41 Å²	41	51.5 Å²	51.5	22%	0.215	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	134	174	-169.8	69.2	0	0	0	109.9	A46 L48 L53 D87 W149 S161	A46-L85 HydrophobicContact CB-CD1 3.65Å; L48-L85 HydrophobicContact CD2-CD1 4.1Å; L53-L85 HydrophobicContact CB-CD2 4.03Å; L53-L85 HydrophobicContact CD1-CD1 4.49Å; L53-L85 HydrophobicContact CD2-CD2 4.39Å; L85-D87 VanDerWaalsContact C-N 3.33Å; L85-W149 HydrophobicContact CB-CD2 4.38Å; L85-W149 HydrophobicContact CB-CG 4.05Å; L85-W149 HydrophobicContact CD1-CD2 4.25Å; L85-W149 HydrophobicContact CD1-CE3 4.46Å; L85-W149 HydrophobicContact CD1-CG 4.45Å; L85-W149 HydrophobicContact CD2-CB 4.14Å; L85-W149 HydrophobicContact CD2-CG 4.35Å; L85-S161 PolarHBondContact N-O 3.17Å
86	G	94.5	Very high	97.5	Very high	46 Å²	46	50.1 Å²	50.1	47%	0.474	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.4	-3.3	-177.8	0	0	0	0	0	114.9	T84 R88 R92	T84-G86 PolarHBondContact O-N 2.8Å; G86-R88 PolarHBondContact O-N 2.68Å; G86-R92 VanDerWaalsContact C-NH2 3.26Å; G86-R92 PolarHBondContact O-NH2 3.47Å
87	D	96.6	Very high	97.5	Very high	46 Å²	46	56.2 Å²	56.2	25%	0.246	27%	0.271	C	S	.	.			trans	-52.2	130.9	176.2	-173.2	-9.4	0	0	0	111.6	S82 T84 L85 R89 A90 R92	S82-D87 WeakPolarHBondContact CB-OD2 3.42Å; S82-D87 WeakPolarHBondContact OG-CB 3.23Å; S82-D87 PolarHBondContact OG-OD2 2.86Å; T84-D87 VanDerWaalsContact O-CB 3.25Å; T84-D87 WeakPolarHBondContact O-CB 3.43Å; T84-D87 PolarHBondContact O-N 3.42Å; T84-D87 VanDerWaalsContact O-N 3.17Å; L85-D87 VanDerWaalsContact C-N 3.33Å; D87-R89 VanDerWaalsContact C-N 3.3Å; D87-R89 WeakPolarHBondContact OD1-CB 3.18Å; D87-R89 PolarHBondContact OD1-N 3.4Å; D87-A90 HydrophobicContact CB-CB 4.19Å; D87-R92 PolarHBondContact O-NH2 2.78Å
88	R	94.3	Very high	97.5	Very high	244 Å²	244	55.6 Å²	55.6	92%	0.921	27%	0.268	S	S	*	.	S	Bend	trans	-75.3	-20.6	-180	-63.7	-176.7	-177.9	-178.7	1.2	112.4	G86	G86-R88 PolarHBondContact O-N 2.68Å
89	R	95.4	Very high	97.5	Very high	238 Å²	238	57.9 Å²	57.9	90%	0.898	28%	0.278	S	S	*	.	S	Bend	trans	-90.6	-11.5	178.9	-61.2	-178.5	179.7	177.3	1.3	112.9	D87	D87-R89 VanDerWaalsContact C-N 3.3Å; D87-R89 WeakPolarHBondContact OD1-CB 3.18Å; D87-R89 PolarHBondContact OD1-N 3.4Å
90	A	97.6	Very high	97.5	Very high	13 Å²	13	63.4 Å²	63.4	11%	0.107	30%	0.299	C	S	.	.	S	Bend	trans	-64.3	152.3	177.1	0	0	0	0	0	112.3	H79 D87	H79-A90 WeakPolarHBondContact CE1-CB 3.35Å; H79-A90 WeakPolarHBondContact NE2-CB 3.47Å; D87-A90 HydrophobicContact CB-CB 4.19Å
91	Q	98.2	Very high	97.5	Very high	27 Å²	27	64.9 Å²	64.9	13%	0.126	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	132.5	170.9	-179.6	165.1	52.9	0	0	109.5	H79 L80 I93	H79-Q91 WeakPolarHBondContact CA-O 3.12Å; L80-Q91 HydrophobicContact CB-CB 4.38Å; L80-Q91 HydrophobicContact CD1-CB 4.46Å; L80-Q91 HydrophobicContact CD1-CG 4.23Å; L80-Q91 PolarHBondContact N-O 2.86Å; L80-Q91 PolarHBondContact O-N 3.26Å; Q91-I93 HydrophobicContact CG-CD1 3.87Å; Q91-I93 HydrophobicContact CG-CG1 3.9Å
92	R	98.3	Very high	97.5	Very high	85 Å²	85	69.3 Å²	69.3	32%	0.321	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	121.3	174.3	-65.2	177.7	-171.2	-104.2	-3.3	109.5	N51 T77 V78 G86 D87	N51-R92 PolarHBondContact OD1-NH1 2.85Å; T77-R92 HydrophobicContact CG2-CB 4.03Å; T77-R92 HydrophobicContact CG2-CG 4.39Å; V78-R92 VanDerWaalsContact O-CA 3.3Å; V78-R92 WeakPolarHBondContact O-CA 3.47Å; G86-R92 VanDerWaalsContact C-NH2 3.26Å; G86-R92 PolarHBondContact O-NH2 3.47Å; D87-R92 PolarHBondContact O-NH2 2.78Å
93	I	98.4	Very high	97.6	Very high	4 Å²	4	70.1 Å²	70.1	2%	0.021	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	128	-179.7	-62.9	166.4	0	0	0	108.9	V78 L80 Q91 L118 S120 A122	V78-I93 WeakPolarHBondContact CB-O 3.1Å; V78-I93 PolarHBondContact N-O 2.85Å; V78-I93 PolarHBondContact O-N 3.1Å; L80-I93 HydrophobicContact CD1-CD1 4.29Å; Q91-I93 HydrophobicContact CG-CD1 3.87Å; Q91-I93 HydrophobicContact CG-CG1 3.9Å; I93-L118 HydrophobicContact CD1-CD1 4.22Å; I93-L118 HydrophobicContact CG2-CB 3.9Å; I93-L118 HydrophobicContact CG2-CD2 4.39Å; I93-S120 WeakPolarHBondContact CG2-OG 3.39Å; I93-A122 HydrophobicContact CD1-CB 4.04Å
94	K	98.6	Very high	97.6	Very high	115 Å²	115	70.8 Å²	70.8	50%	0.5	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	146.3	171.2	-72.9	-168.8	168.2	-145.9	0	111	E75 Y76 N119	E75-K94 WeakPolarHBondContact OE1-CD 3.5Å; E75-K94 WeakPolarHBondContact OE1-CE 3.37Å; E75-K94 IonicContact OE1-NZ 3.67Å; E75-K94 PolarHBondContact OE1-NZ 2.76Å; Y76-K94 CarbonylContact O-C 3.52Å; Y76-K94 WeakPolarHBondContact O-CA 3.33Å; K94-N119 WeakPolarHBondContact O-CB 3.23Å; K94-N119 PolarHBondContact O-N 3.36Å
95	A	98.6	Very high	97.6	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	124.6	170.4	0	0	0	0	0	109.4	E75 Y76 V78 V116 K117 L118	E75-A95 WeakPolarHBondContact CA-O 3.3Å; Y76-A95 HydrophobicContact CD2-CB 4.13Å; Y76-A95 WeakPolarHBondContact CD2-O 3.45Å; Y76-A95 PolarHBondContact N-O 3.29Å; Y76-A95 PolarHBondContact O-N 3.12Å; V78-A95 HydrophobicContact CG2-CB 4.07Å; A95-V116 HydrophobicContact CB-CG1 3.43Å; A95-V116 VanDerWaalsContact CB-CG1 3.43Å; A95-K117 WeakPolarHBondContact CB-O 3.28Å; A95-L118 HydrophobicContact CB-CD2 4.29Å
96	S	96.2	Very high	97.7	Very high	51 Å²	51	72.8 Å²	72.8	36%	0.357	36%	0.358	S	S	.	.			trans	-119.2	3.9	-176.1	-43.5	0	0	0	0	112.7	E75 N119	E75-S96 PolarHBondContact OE2-OG 3.4Å; S96-N119 PolarHBondContact N-OD1 3.16Å; S96-N119 PolarHBondContact OG-ND2 2.91Å
97	K	98.3	Very high	97.8	Very high	129 Å²	129	78.7 Å²	78.7	56%	0.561	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.8	130.1	176.6	-64.1	179.6	-176.6	178	0	109.9	F99 K117	K97-F99 HydrophobicContact CB-CE2 4.1Å; K97-F99 HydrophobicContact CB-CZ 4.17Å; K97-K117 HydrophobicContact CB-CB 4.2Å; K97-K117 PolarHBondContact O-N 3Å
98	S	98.6	Very high	97.8	Very high	13 Å²	13	79 Å²	79	9%	0.091	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	147.5	173	59.6	0	0	0	0	113	K72 Y76 M114 L115	K72-S98 VanDerWaalsContact CD-OG 3.24Å; K72-S98 WeakPolarHBondContact CD-OG 3.23Å; K72-S98 WeakPolarHBondContact CE-OG 3.36Å; K72-S98 PolarHBondContact NZ-O 3.17Å; K72-S98 PolarHBondContact NZ-OG 2.82Å; Y76-S98 PolarHBondContact OH-OG 3.45Å; S98-M114 VanDerWaalsContact CB-SD 3.57Å; S98-M114 PolarHBondContact OG-SD 3.15Å; S98-L115 CarbonylContact C-O 3.55Å; S98-L115 WeakPolarHBondContact CA-O 3.06Å; S98-L115 WeakPolarHBondContact CB-O 3.46Å
99	F	98.8	Very high	97.9	Very high	47 Å²	47	70.7 Å²	70.7	21%	0.206	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	97.7	-163.6	-51.1	-92.7	0	0	0	108.4	W64 K97 M114 L115 K117 T248 H252	W64-F99 AromaticContact CH2-CD2 3.82Å; W64-F99 HydrophobicContact CH2-CD2 3.82Å; W64-F99 AromaticContact CH2-CE2 3.47Å; W64-F99 HydrophobicContact CH2-CE2 3.47Å; W64-F99 VanDerWaalsContact CH2-CE2 3.47Å; W64-F99 HydrophobicContact CH2-CZ 4.31Å; W64-F99 AromaticContact CZ3-CD2 3.62Å; W64-F99 HydrophobicContact CZ3-CD2 3.62Å; W64-F99 AromaticContact CZ3-CE2 3.63Å; W64-F99 HydrophobicContact CZ3-CE2 3.63Å; K97-F99 HydrophobicContact CB-CE2 4.1Å; K97-F99 HydrophobicContact CB-CZ 4.17Å; F99-M114 WeakPolarHBondContact O-CA 3.1Å; F99-M114 WeakPolarHBondContact O-CG 3.3Å; F99-L115 PolarHBondContact N-O 3Å; F99-L115 PolarHBondContact O-N 2.69Å; F99-K117 HydrophobicContact CE2-CB 4.22Å; F99-T248 HydrophobicContact CB-CG2 4.11Å; F99-T248 HydrophobicContact CG-CG2 4.39Å; F99-H252 AromaticContact CD1-CD2 3.98Å; F99-H252 AromaticContact CD1-NE2 3.88Å; F99-H252 HydrophobicContact CE1-CB 4.38Å; F99-H252 AromaticContact CE1-CD2 3.81Å; F99-H252 AromaticContact CE1-CE1 3.53Å; F99-H252 AromaticContact CE1-CG 3.66Å; F99-H252 AromaticContact CE1-ND1 3.48Å; F99-H252 WeakPolarHBondContact CE1-ND1 3.46Å; F99-H252 AromaticContact CE1-NE2 3.75Å; F99-H252 HydrophobicContact CE2-CB 4.42Å; F99-H252 HydrophobicContact CZ-CB 4Å; F99-H252 AromaticContact CZ-CG 3.78Å; F99-H252 AromaticContact CZ-ND1 3.81Å
100	R	98.8	Very high	98.1	Very high	117 Å²	117	60 Å²	60	44%	0.442	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	150.5	172.3	-66.8	-173.2	-65.9	174.2	0.3	109.3	A69 M114	A69-R100 HydrophobicContact CB-CB 4.2Å; A69-R100 HydrophobicContact CB-CG 3.87Å; A69-R100 WeakPolarHBondContact O-CD 3.44Å; R100-M114 HydrophobicContact CG-CB 4.19Å; R100-M114 HydrophobicContact CG-CG 4.14Å; R100-M114 HydrophobicContact CG-SD 3.83Å
101	H	98.8	Very high	98.1	Very high	33 Å²	33	61 Å²	61	15%	0.153	31%	0.313	C	S	.	.			trans	-56.3	134.5	166.7	-171.4	-86.7	0	0	0	109.4	G103 Y104 N111 L113 F241 W244	H101-G103 PolarHBondContact ND1-N 2.82Å; H101-G103 VanDerWaalsContact ND1-N 3.11Å; H101-G103 PolarHBondContact O-N 2.81Å; H101-G103 VanDerWaalsContact O-N 3.17Å; H101-Y104 WeakPolarHBondContact O-CB 3.32Å; H101-Y104 PolarHBondContact O-N 2.8Å; H101-N111 HydrophobicContact CB-CB 4.32Å; H101-L113 HydrophobicContact CB-CD2 3.41Å; H101-L113 VanDerWaalsContact CB-CD2 3.41Å; H101-L113 HydrophobicContact CB-CG 4.06Å; H101-L113 PolarHBondContact N-O 2.83Å; H101-F241 AromaticContact CD2-CD1 3.77Å; H101-F241 AromaticContact CD2-CE1 3.92Å; H101-F241 AromaticContact NE2-CD1 3.8Å; H101-F241 AromaticContact NE2-CE1 3.79Å; H101-W244 HydrophobicContact CB-CH2 4.37Å; H101-W244 HydrophobicContact CB-CZ2 4.03Å; H101-W244 AromaticContact CD2-CD1 3.56Å; H101-W244 AromaticContact CD2-CD2 3.53Å; H101-W244 AromaticContact CD2-CE2 3.66Å; H101-W244 AromaticContact CD2-CG 3.5Å; H101-W244 VanDerWaalsContact CD2-CG 3.5Å; H101-W244 AromaticContact CD2-NE1 3.66Å; H101-W244 AromaticContact NE2-CD1 3.89Å; H101-W244 AromaticContact NE2-CG 3.96Å
102	P	98.4	Very high	98.1	Very high	116 Å²	116	59.7 Å²	59.7	75%	0.753	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-24.7	-174.4	24.1	-34.8	0	0	0	113.3	Y104	P102-Y104 VanDerWaalsContact C-N 3.34Å
103	G	98.5	Very high	98.2	Very high	34 Å²	34	55.6 Å²	55.6	35%	0.351	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	13.6	174.8	0	0	0	0	0	115.1	H101 N111	H101-G103 PolarHBondContact ND1-N 2.82Å; H101-G103 VanDerWaalsContact ND1-N 3.11Å; H101-G103 PolarHBondContact O-N 2.81Å; H101-G103 VanDerWaalsContact O-N 3.17Å; G103-N111 PolarHBondContact O-ND2 2.95Å
104	Y	98.6	Very high	98.2	Very high	34 Å²	34	55.4 Å²	55.4	13%	0.133	29%	0.291	C	S	.	.			trans	-67.6	131.2	177.8	171.5	-112.7	0	0	0	111.5	A69 H70 H101 P102 T106 V110 D112	A69-Y104 HydrophobicContact CB-CD1 3.88Å; A69-Y104 HydrophobicContact CB-CD2 3.53Å; A69-Y104 HydrophobicContact CB-CE1 4.16Å; A69-Y104 HydrophobicContact CB-CE2 3.85Å; A69-Y104 HydrophobicContact CB-CG 3.53Å; H70-Y104 WeakPolarHBondContact CB-OH 3.38Å; H101-Y104 WeakPolarHBondContact O-CB 3.32Å; H101-Y104 PolarHBondContact O-N 2.8Å; P102-Y104 VanDerWaalsContact C-N 3.34Å; Y104-T106 HydrophobicContact CD1-CG2 4.45Å; Y104-T106 HydrophobicContact CE1-CG2 3.63Å; Y104-V110 WeakPolarHBondContact CA-O 3.47Å; Y104-V110 WeakPolarHBondContact CD2-O 3.32Å; Y104-D112 HydrophobicContact CD2-CB 4.16Å; Y104-D112 HydrophobicContact CE2-CB 4.01Å
105	S	98.4	Very high	98.2	Very high	30 Å²	30	50 Å²	50	21%	0.21	27%	0.267	C	S	.	.			trans	-108.6	126.8	174.6	178.9	0	0	0	0	111	Q107 T108 H109 V110	S105-Q107 PolarHBondContact O-N 2.72Å; S105-Q107 PolarHBondContact OG-N 3.33Å; S105-T108 VanDerWaalsContact CB-OG1 3.27Å; S105-T108 WeakPolarHBondContact CB-OG1 3.07Å; S105-T108 PolarHBondContact OG-N 2.8Å; S105-T108 VanDerWaalsContact OG-N 3.14Å; S105-T108 PolarHBondContact OG-OG1 3.43Å; S105-H109 VanDerWaalsContact O-CA 3.23Å; S105-H109 WeakPolarHBondContact O-CA 3.49Å; S105-H109 PolarHBondContact O-N 3.13Å; S105-V110 PolarHBondContact N-O 3.39Å
106	T	97	Very high	98.2	Very high	106 Å²	106	50 Å²	50	65%	0.65	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-12.9	171.2	51.8	0	0	0	0	113	Y104	Y104-T106 HydrophobicContact CD1-CG2 4.45Å; Y104-T106 HydrophobicContact CE1-CG2 3.63Å
107	Q	96.5	Very high	98.3	Very high	171 Å²	171	49.1 Å²	49.1	80%	0.799	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-43.2	179.6	-175.6	178.7	26.8	0	0	111.8	S105	S105-Q107 PolarHBondContact O-N 2.72Å; S105-Q107 PolarHBondContact OG-N 3.33Å
108	T	97.1	Very high	98.3	Very high	52 Å²	52	43.1 Å²	43.1	32%	0.319	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-8.5	-173.7	68.6	0	0	0	0	113.3	S105 V110 E185 M188	S105-T108 VanDerWaalsContact CB-OG1 3.27Å; S105-T108 WeakPolarHBondContact CB-OG1 3.07Å; S105-T108 PolarHBondContact OG-N 2.8Å; S105-T108 VanDerWaalsContact OG-N 3.14Å; S105-T108 PolarHBondContact OG-OG1 3.43Å; T108-V110 PolarHBondContact O-N 2.81Å; T108-V110 VanDerWaalsContact O-N 3.11Å; T108-V110 WeakPolarHBondContact OG1-CG1 3.1Å; T108-V110 PolarHBondContact OG1-N 2.94Å; T108-E185 WeakPolarHBondContact CB-OE1 3.32Å; T108-E185 PolarHBondContact OG1-OE1 2.91Å; T108-M188 VanDerWaalsContact O-CE 3.32Å; T108-M188 WeakPolarHBondContact O-CE 3.5Å
109	H	97.5	Very high	98.3	Very high	70 Å²	70	46.7 Å²	46.7	32%	0.324	25%	0.249	S	C	.	.			trans	57.8	18.7	-174.1	-56.3	-90	0	0	0	114.2	S105 D112	S105-H109 VanDerWaalsContact O-CA 3.23Å; S105-H109 WeakPolarHBondContact O-CA 3.49Å; S105-H109 PolarHBondContact O-N 3.13Å; H109-D112 VanDerWaalsContact O-CB 3.23Å; H109-D112 WeakPolarHBondContact O-CB 3.37Å
110	V	98.1	Very high	98.3	Very high	14 Å²	14	47.4 Å²	47.4	9%	0.085	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	147	171.5	70	0	0	0	0	111.2	Y104 S105 T108 D112 E185 M188	Y104-V110 WeakPolarHBondContact CA-O 3.47Å; Y104-V110 WeakPolarHBondContact CD2-O 3.32Å; S105-V110 PolarHBondContact N-O 3.39Å; T108-V110 PolarHBondContact O-N 2.81Å; T108-V110 VanDerWaalsContact O-N 3.11Å; T108-V110 WeakPolarHBondContact OG1-CG1 3.1Å; T108-V110 PolarHBondContact OG1-N 2.94Å; V110-D112 VanDerWaalsContact C-N 3.25Å; V110-D112 PolarHBondContact O-N 3.32Å; V110-E185 HydrophobicContact CB-CB 4.18Å; V110-E185 HydrophobicContact CB-CG 4.23Å; V110-E185 VanDerWaalsContact CB-OE1 3.3Å; V110-E185 WeakPolarHBondContact CB-OE1 3.43Å; V110-E185 WeakPolarHBondContact CB-OE2 3.26Å; V110-E185 HydrophobicContact CG2-CB 3.7Å; V110-E185 HydrophobicContact CG2-CG 4.22Å; V110-E185 VanDerWaalsContact CG2-OE2 3.27Å; V110-E185 WeakPolarHBondContact CG2-OE2 3.18Å; V110-M188 HydrophobicContact CB-CE 4.38Å
111	N	98.6	Very high	98.3	Very high	32 Å²	32	47.3 Å²	47.3	17%	0.171	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	44	-178	-49.3	-52	0	0	0	111.7	H101 G103 L113 S187 F241	H101-N111 HydrophobicContact CB-CB 4.32Å; G103-N111 PolarHBondContact O-ND2 2.95Å; N111-L113 HydrophobicContact CB-CD2 4.26Å; N111-L113 WeakPolarHBondContact O-CD2 3.23Å; N111-L113 PolarHBondContact O-N 3.28Å; N111-S187 PolarHBondContact OD1-OG 2.83Å; N111-F241 HydrophobicContact CB-CE1 4.2Å; N111-F241 HydrophobicContact CB-CZ 4.22Å; N111-F241 WeakPolarHBondContact OD1-CE1 3.32Å; N111-F241 VanDerWaalsContact OD1-CZ 3.23Å; N111-F241 WeakPolarHBondContact OD1-CZ 3.44Å
112	D	98.9	Very high	98.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.258	C	S	.	.			trans	-78.6	71.2	-178.9	-175.4	30	0	0	0	111.5	A69 H70 Y104 H109 V110 S220 T236	A69-D112 VanDerWaalsContact CA-OD1 3.3Å; A69-D112 WeakPolarHBondContact CA-OD1 3.34Å; A69-D112 WeakPolarHBondContact CB-OD1 3.36Å; A69-D112 PolarHBondContact N-OD1 2.97Å; H70-D112 IonicContact CE1-OD2 3.9Å; H70-D112 PolarHBondContact CE1-OD2 3.14Å; H70-D112 IonicContact CG-OD1 3.88Å; H70-D112 IonicContact CG-OD2 2.75Å; H70-D112 PolarHBondContact N-OD1 2.71Å; H70-D112 IonicContact ND1-OD1 2.72Å; H70-D112 PolarHBondContact ND1-OD1 2.92Å; H70-D112 IonicContact ND1-OD2 3.43Å; H70-D112 PolarHBondContact ND1-OD2 3Å; Y104-D112 HydrophobicContact CD2-CB 4.16Å; Y104-D112 HydrophobicContact CE2-CB 4.01Å; H109-D112 VanDerWaalsContact O-CB 3.23Å; H109-D112 WeakPolarHBondContact O-CB 3.37Å; V110-D112 VanDerWaalsContact C-N 3.25Å; V110-D112 PolarHBondContact O-N 3.32Å; D112-S220 WeakPolarHBondContact CB-OG 3.35Å; D112-S220 WeakPolarHBondContact OD2-CB 3.5Å; D112-S220 PolarHBondContact OD2-OG 2.98Å; D112-T236 PolarHBondContact O-OG1 2.88Å
113	L	98.9	Very high	98.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.255	C	S	.	.			trans	-142.3	146.8	173.1	73.3	171.1	0	0	0	112.4	L66 T67 H101 N111 L218 T236 F241 W244	L66-L113 HydrophobicContact CD1-CB 4.38Å; L66-L113 HydrophobicContact CD1-CD1 4.49Å; T67-L113 CarbonylContact O-C 3.5Å; T67-L113 WeakPolarHBondContact O-CA 3.21Å; H101-L113 HydrophobicContact CB-CD2 3.41Å; H101-L113 VanDerWaalsContact CB-CD2 3.41Å; H101-L113 HydrophobicContact CB-CG 4.06Å; H101-L113 PolarHBondContact N-O 2.83Å; N111-L113 HydrophobicContact CB-CD2 4.26Å; N111-L113 WeakPolarHBondContact O-CD2 3.23Å; N111-L113 PolarHBondContact O-N 3.28Å; L113-L218 HydrophobicContact CB-CD1 3.91Å; L113-T236 HydrophobicContact CB-CG2 4.09Å; L113-T236 HydrophobicContact CD2-CG2 4.17Å; L113-T236 HydrophobicContact CG-CG2 4.49Å; L113-F241 HydrophobicContact CD1-CB 3.46Å; L113-F241 VanDerWaalsContact CD1-CB 3.46Å; L113-F241 HydrophobicContact CD1-CD1 3.87Å; L113-F241 HydrophobicContact CD1-CD2 3.93Å; L113-F241 HydrophobicContact CD1-CG 3.48Å; L113-F241 VanDerWaalsContact CD1-CG 3.48Å; L113-F241 HydrophobicContact CD2-CD1 3.81Å; L113-F241 HydrophobicContact CD2-CD2 4.35Å; L113-F241 HydrophobicContact CD2-CE1 3.76Å; L113-F241 HydrophobicContact CD2-CE2 4.31Å; L113-F241 HydrophobicContact CD2-CG 4.1Å; L113-F241 HydrophobicContact CD2-CZ 4.01Å; L113-F241 HydrophobicContact CG-CG 4.48Å; L113-W244 HydrophobicContact CD1-CE3 3.63Å; L113-W244 HydrophobicContact CD1-CZ3 3.54Å; L113-W244 HydrophobicContact CG-CE3 4.1Å; L113-W244 HydrophobicContact CG-CH2 4.22Å; L113-W244 HydrophobicContact CG-CZ3 3.66Å
114	M	98.9	Very high	98.3	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	137.8	-178.8	174.4	176.2	68.1	0	0	111	T67 A69 K72 Y76 S98 F99 R100 V116	T67-M114 HydrophobicContact CG2-CB 4.27Å; T67-M114 HydrophobicContact CG2-CE 3.51Å; T67-M114 PolarHBondContact N-O 3.22Å; T67-M114 PolarHBondContact O-N 3.45Å; A69-M114 HydrophobicContact CB-CB 4.32Å; K72-M114 HydrophobicContact CB-CE 4.31Å; K72-M114 HydrophobicContact CB-SD 3.94Å; K72-M114 HydrophobicContact CD-CE 4.47Å; K72-M114 HydrophobicContact CD-SD 3.44Å; K72-M114 WeakPolarHBondContact CD-SD 3.49Å; K72-M114 HydrophobicContact CG-SD 4.26Å; Y76-M114 HydrophobicContact CE1-CE 4.41Å; Y76-M114 WeakPolarHBondContact OH-CE 3.34Å; S98-M114 VanDerWaalsContact CB-SD 3.57Å; S98-M114 PolarHBondContact OG-SD 3.15Å; F99-M114 WeakPolarHBondContact O-CA 3.1Å; F99-M114 WeakPolarHBondContact O-CG 3.3Å; R100-M114 HydrophobicContact CG-CB 4.19Å; R100-M114 HydrophobicContact CG-CG 4.14Å; R100-M114 HydrophobicContact CG-SD 3.83Å; M114-V116 HydrophobicContact CE-CG2 3.82Å; M114-V116 HydrophobicContact CG-CG2 4.46Å
115	L	98.9	Very high	98.3	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	133	168.2	-81.6	167.7	0	0	0	110.3	W64 V65 L66 S98 F99 W244 I245 T248 M249	W64-L115 HydrophobicContact CB-CD2 4.45Å; W64-L115 HydrophobicContact CE3-CB 3.87Å; W64-L115 HydrophobicContact CE3-CD2 4.21Å; W64-L115 HydrophobicContact CE3-CG 4.46Å; W64-L115 HydrophobicContact CZ3-CB 3.85Å; V65-L115 CarbonylContact O-C 3.57Å; V65-L115 WeakPolarHBondContact O-CA 3.46Å; L66-L115 HydrophobicContact CB-CD2 4.22Å; L66-L115 HydrophobicContact CD1-CD2 4.09Å; L66-L115 HydrophobicContact CD1-CG 4.18Å; S98-L115 CarbonylContact C-O 3.55Å; S98-L115 WeakPolarHBondContact CA-O 3.06Å; S98-L115 WeakPolarHBondContact CB-O 3.46Å; F99-L115 PolarHBondContact N-O 3Å; F99-L115 PolarHBondContact O-N 2.69Å; L115-W244 HydrophobicContact CB-CH2 4.45Å; L115-W244 HydrophobicContact CD1-CH2 4.28Å; L115-W244 HydrophobicContact CD1-CZ3 4.2Å; L115-W244 HydrophobicContact CG-CH2 4.18Å; L115-W244 HydrophobicContact CG-CZ3 4.16Å; L115-I245 HydrophobicContact CD1-CG2 4.48Å; L115-I245 HydrophobicContact CD2-CG2 4.5Å; L115-T248 HydrophobicContact CD1-CG2 3.69Å; L115-M249 HydrophobicContact CD1-CG 3.87Å; L115-M249 HydrophobicContact CD2-CG 4.33Å
116	V	98.9	Very high	98.3	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	123.1	175.9	179.4	0	0	0	0	108.1	W64 V65 T67 Y76 A95 M114	W64-V116 WeakPolarHBondContact CA-O 3.27Å; V65-V116 HydrophobicContact CB-CB 4.26Å; V65-V116 PolarHBondContact N-O 2.6Å; V65-V116 PolarHBondContact O-N 3.11Å; T67-V116 HydrophobicContact CG2-CG2 3.84Å; Y76-V116 HydrophobicContact CD2-CG1 3.87Å; Y76-V116 HydrophobicContact CE2-CG1 4.13Å; Y76-V116 HydrophobicContact CE2-CG2 4.42Å; Y76-V116 HydrophobicContact CG-CG1 4.45Å; A95-V116 HydrophobicContact CB-CG1 3.43Å; A95-V116 VanDerWaalsContact CB-CG1 3.43Å; M114-V116 HydrophobicContact CE-CG2 3.82Å; M114-V116 HydrophobicContact CG-CG2 4.46Å
117	K	98.7	Very high	98.3	Very high	33 Å²	33	52.6 Å²	52.6	14%	0.143	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	119.7	178.9	-167.1	178.8	-177.7	179.5	0	109.6	R63 W64 A95 K97 F99 H252 R253	R63-K117 WeakPolarHBondContact O-CA 3.4Å; W64-K117 HydrophobicContact CD2-CB 4.46Å; W64-K117 HydrophobicContact CD2-CG 4.41Å; W64-K117 HydrophobicContact CE3-CB 3.96Å; W64-K117 HydrophobicContact CE3-CG 4.4Å; W64-K117 HydrophobicContact CH2-CB 3.8Å; W64-K117 HydrophobicContact CH2-CD 3.99Å; W64-K117 HydrophobicContact CH2-CG 4.01Å; W64-K117 HydrophobicContact CZ2-CB 4.28Å; W64-K117 HydrophobicContact CZ2-CD 3.88Å; W64-K117 HydrophobicContact CZ2-CG 3.98Å; W64-K117 HydrophobicContact CZ3-CB 3.61Å; W64-K117 HydrophobicContact CZ3-CG 4.2Å; A95-K117 WeakPolarHBondContact CB-O 3.28Å; K97-K117 HydrophobicContact CB-CB 4.2Å; K97-K117 PolarHBondContact O-N 3Å; F99-K117 HydrophobicContact CE2-CB 4.22Å; K117-H252 VanDerWaalsContact CE-O 3.3Å; K117-H252 WeakPolarHBondContact CE-O 3.48Å; K117-H252 PolarHBondContact NZ-O 2.84Å; K117-R253 WeakPolarHBondContact CE-OXT 3.38Å; K117-R253 PolarHBondContact NZ-O 3.44Å; K117-R253 PolarHBondContact NZ-OXT 3.39Å
118	L	98.7	Very high	98.4	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.021	24%	0.235	C	C	.	.			trans	-67.9	140.1	175.2	-55.6	-177	0	0	0	110.4	L59 R63 V65 V78 I93 A95 S120 A122	L59-L118 HydrophobicContact CD1-CD1 4.26Å; R63-L118 PolarHBondContact O-N 2.72Å; V65-L118 HydrophobicContact CG2-CD2 4.04Å; V78-L118 HydrophobicContact CB-CD2 3.96Å; V78-L118 HydrophobicContact CG1-CD2 4.17Å; V78-L118 HydrophobicContact CG2-CD2 3.57Å; I93-L118 HydrophobicContact CD1-CD1 4.22Å; I93-L118 HydrophobicContact CG2-CB 3.9Å; I93-L118 HydrophobicContact CG2-CD2 4.39Å; A95-L118 HydrophobicContact CB-CD2 4.29Å; L118-S120 WeakPolarHBondContact CB-O 3.44Å; L118-S120 PolarHBondContact O-N 2.66Å; L118-A122 HydrophobicContact CD1-CB 4.06Å
119	N	98.3	Very high	98.5	Very high	88 Å²	88	47.3 Å²	47.3	47%	0.471	24%	0.242	S	C	.	.	S	Bend	trans	-71.1	-22	178.7	-66.7	-6.7	0	0	0	112	K94 S96	K94-N119 WeakPolarHBondContact O-CB 3.23Å; K94-N119 PolarHBondContact O-N 3.36Å; S96-N119 PolarHBondContact N-OD1 3.16Å; S96-N119 PolarHBondContact OG-ND2 2.91Å
120	S	98.4	Very high	98.6	Very high	62 Å²	62	48.2 Å²	48.2	43%	0.434	25%	0.246	S	C	.	.	S	Bend	trans	-138.6	165.4	173	63	0	0	0	0	111	I93 L118	I93-S120 WeakPolarHBondContact CG2-OG 3.39Å; L118-S120 WeakPolarHBondContact CB-O 3.44Å; L118-S120 PolarHBondContact O-N 2.66Å
121	Q	98.2	Very high	98.6	Very high	114 Å²	114	48.2 Å²	48.2	53%	0.533	25%	0.245	S	C	.	.			trans	-72.1	130.7	-178.5	-166.9	178.2	38	0	0	111.4	E62	E62-Q121 HydrophobicContact CB-CG 3.28Å; E62-Q121 HydrophobicContact CG-CG 4.1Å; E62-Q121 CarbonylContact O-C 3.47Å; E62-Q121 WeakPolarHBondContact O-CA 3.43Å
122	A	98.7	Very high	98.6	Very high	3 Å²	3	54.7 Å²	54.7	3%	0.025	27%	0.267	C	S	.	.			trans	-62.8	137.1	167.7	0	0	0	0	0	110.7	L59 E62 L80 I93 L118 L124 V128	L59-A122 HydrophobicContact CD1-CB 4.31Å; L59-A122 HydrophobicContact CD2-CB 4.31Å; E62-A122 PolarHBondContact O-N 3.45Å; L80-A122 HydrophobicContact CD2-CB 4.19Å; I93-A122 HydrophobicContact CD1-CB 4.04Å; L118-A122 HydrophobicContact CD1-CB 4.06Å; A122-L124 PolarHBondContact O-N 3.14Å; A122-V128 HydrophobicContact CB-CG1 4.49Å
123	R	98.7	Very high	98.6	Very high	184 Å²	184	56.5 Å²	56.5	69%	0.694	28%	0.277	S	S	*	.			trans	-89.7	103.9	180	-69.2	-177.2	-60	167.5	2.6	107.7
124	L	98.6	Very high	98.6	Very high	78 Å²	78	56.8 Å²	56.8	41%	0.408	28%	0.279	S	S	.	.			trans	-63.9	143.5	179.4	-57.4	-174.7	0	0	0	110.9	L59 E62 A122 V128 K130	L59-L124 HydrophobicContact CD2-CD2 4.21Å; E62-L124 HydrophobicContact CG-CD1 3.78Å; E62-L124 HydrophobicContact CG-CD2 3.99Å; E62-L124 HydrophobicContact CG-CG 3.77Å; E62-L124 WeakPolarHBondContact OE1-CD1 3.37Å; A122-L124 PolarHBondContact O-N 3.14Å; L124-V128 VanDerWaalsContact CA-O 3.32Å; L124-V128 WeakPolarHBondContact CA-O 3.34Å; L124-V128 HydrophobicContact CD2-CG1 4.22Å; L124-K130 HydrophobicContact CD2-CG 4.5Å
125	S	98.4	Very high	98.5	Very high	58 Å²	58	62 Å²	62	41%	0.406	32%	0.315	S	S	.	.	S	Bend	trans	-158.5	-171.8	-178.8	67.1	0	0	0	0	110.6	M127 V128 K129	S125-M127 PolarHBondContact O-N 3.4Å; S125-M127 PolarHBondContact OG-N 3.15Å; S125-V128 PolarHBondContact N-O 2.91Å; S125-V128 PolarHBondContact O-N 2.99Å; S125-V128 VanDerWaalsContact O-O 3.07Å; S125-V128 PolarHBondContact OG-N 2.89Å; S125-V128 VanDerWaalsContact OG-N 3.14Å; S125-K129 WeakPolarHBondContact O-CG 3.49Å
126	S	97.7	Very high	98.5	Very high	90 Å²	90	69.2 Å²	69.2	63%	0.629	34%	0.343	S	S	*	.	S	Bend	trans	-59.1	-31.8	169.1	50.9	0	0	0	0	112.6	K129	S126-K129 WeakPolarHBondContact O-CE 3.45Å
127	M	98.3	Very high	98.5	Very high	51 Å²	51	71.9 Å²	71.9	25%	0.251	36%	0.36	S	S	.	.	S	Bend	trans	-98.4	-10.1	-178	-62.8	-60.9	-64.7	0	0	114	P42 G81 S125	P42-M127 VanDerWaalsContact CA-O 3.29Å; P42-M127 WeakPolarHBondContact CA-O 3.38Å; P42-M127 VanDerWaalsContact CB-C 3.48Å; P42-M127 WeakPolarHBondContact CB-O 3.32Å; G81-M127 WeakPolarHBondContact CA-O 3.25Å; S125-M127 PolarHBondContact O-N 3.4Å; S125-M127 PolarHBondContact OG-N 3.15Å
128	V	98.7	Very high	98.5	Very high	5 Å²	5	70.8 Å²	70.8	3%	0.03	36%	0.356	C	S	.	.			trans	-128	102.9	179.1	-176.4	0	0	0	0	108.9	P42 L59 L80 G81 A122 L124 S125	P42-V128 CarbonylContact O-C 3.52Å; P42-V128 VanDerWaalsContact O-CA 3.31Å; P42-V128 WeakPolarHBondContact O-CA 3.17Å; L59-V128 HydrophobicContact CD2-CG1 3.63Å; L80-V128 HydrophobicContact CB-CG1 4.48Å; L80-V128 HydrophobicContact CB-CG2 4.26Å; L80-V128 HydrophobicContact CD2-CG1 4.33Å; G81-V128 VanDerWaalsContact CA-CG2 3.45Å; A122-V128 HydrophobicContact CB-CG1 4.49Å; L124-V128 VanDerWaalsContact CA-O 3.32Å; L124-V128 WeakPolarHBondContact CA-O 3.34Å; L124-V128 HydrophobicContact CD2-CG1 4.22Å; S125-V128 PolarHBondContact N-O 2.91Å; S125-V128 PolarHBondContact O-N 2.99Å; S125-V128 VanDerWaalsContact O-O 3.07Å; S125-V128 PolarHBondContact OG-N 2.89Å; S125-V128 VanDerWaalsContact OG-N 3.14Å
129	K	98.7	Very high	98.5	Very high	107 Å²	107	73.7 Å²	73.7	47%	0.465	38%	0.375	S	S	.	.			trans	-133	160.4	-179.6	-60.1	-176.9	-175.6	171.1	0	110.5	P42 W43 S125 S126	P42-K129 HydrophobicContact CB-CB 4.01Å; P42-K129 HydrophobicContact CB-CD 4.35Å; P42-K129 HydrophobicContact CB-CG 3.99Å; P42-K129 HydrophobicContact CG-CB 3.87Å; P42-K129 HydrophobicContact CG-CD 3.87Å; P42-K129 HydrophobicContact CG-CG 3.98Å; P42-K129 PolarHBondContact O-N 3.11Å; W43-K129 WeakPolarHBondContact CA-O 3.41Å; W43-K129 VanDerWaalsContact CB-O 3.26Å; W43-K129 WeakPolarHBondContact CB-O 3.44Å; S125-K129 WeakPolarHBondContact O-CG 3.49Å; S126-K129 WeakPolarHBondContact O-CE 3.45Å
130	K	98.7	Very high	98.5	Very high	90 Å²	90	73.1 Å²	73.1	39%	0.391	38%	0.376	S	S	.	.			trans	-79.6	141.1	176.4	-51.6	176.7	-168.7	175.5	0	109.5	L59 N61 E62 L124	L59-K130 CarbonylContact O-C 3.46Å; L59-K130 WeakPolarHBondContact O-CA 3.3Å; N61-K130 HydrophobicContact CB-CD 4.16Å; E62-K130 WeakPolarHBondContact OE1-CE 2.99Å; E62-K130 IonicContact OE1-NZ 2.83Å; E62-K130 PolarHBondContact OE1-NZ 3.07Å; E62-K130 WeakPolarHBondContact OE2-CE 3Å; E62-K130 IonicContact OE2-NZ 3.33Å; E62-K130 PolarHBondContact OE2-NZ 3.28Å; L124-K130 HydrophobicContact CD2-CG 4.5Å
131	V	98.7	Very high	98.5	Very high	13 Å²	13	72.3 Å²	72.3	8%	0.079	38%	0.377	C	S	.	.			trans	-70	149.1	169	73.6	0	0	0	0	110.3	W43 V58 L59 V60 L133 L215	W43-V131 HydrophobicContact CB-CB 3.84Å; W43-V131 HydrophobicContact CD2-CB 4.06Å; W43-V131 HydrophobicContact CD2-CG2 3.77Å; W43-V131 HydrophobicContact CE3-CB 3.8Å; W43-V131 HydrophobicContact CE3-CG2 3.33Å; W43-V131 HydrophobicContact CG-CB 4.02Å; W43-V131 HydrophobicContact CG-CG2 4.2Å; W43-V131 HydrophobicContact CZ3-CG2 3.81Å; V58-V131 HydrophobicContact CB-CG1 4.24Å; V58-V131 HydrophobicContact CG2-CG1 4.14Å; L59-V131 PolarHBondContact O-N 2.71Å; V60-V131 HydrophobicContact CG2-CG1 4.37Å; V131-L133 PolarHBondContact O-N 2.9Å; V131-L215 HydrophobicContact CG1-CD2 4.16Å; V131-L215 HydrophobicContact CG2-CB 3.8Å; V131-L215 HydrophobicContact CG2-CD1 4.45Å; V131-L215 HydrophobicContact CG2-CG 4.5Å
132	R	98.7	Very high	98.6	Very high	168 Å²	168	67.3 Å²	67.3	63%	0.634	36%	0.355	S	S	*	.			trans	-84.8	111.3	171	-173.1	178	176	-173.1	1.4	110	T214 L215	R132-T214 HydrophobicContact CG-CG2 4.14Å; R132-T214 WeakPolarHBondContact O-CA 3.25Å; R132-L215 PolarHBondContact O-N 3.39Å
133	L	98.8	Very high	98.6	Very high	39 Å²	39	70.5 Å²	70.5	20%	0.204	37%	0.374	C	S	.	.			trans	-65.2	147.3	170.1	-68.7	179	0	0	0	110.9	V60 V131 L215 V238 I245	V60-L133 HydrophobicContact CG1-CD1 3.95Å; V60-L133 HydrophobicContact CG1-CG 4.33Å; V131-L133 PolarHBondContact O-N 2.9Å; L133-L215 HydrophobicContact CD2-CD2 4.2Å; L133-V238 HydrophobicContact CD2-CG1 4.15Å; L133-I245 HydrophobicContact CD1-CG2 3.88Å; L133-I245 HydrophobicContact CD2-CD1 4.24Å
134	P	98.6	Very high	98.6	Very high	6 Å²	6	61.9 Å²	61.9	4%	0.039	34%	0.342	C	S	.	.			trans	-79.3	143.3	-175.2	34.1	-37.3	0	0	0	111.6	R136 L215 Q216 V238 C239 T242	P134-R136 WeakPolarHBondContact CB-O 3.47Å; P134-L215 WeakPolarHBondContact CD-O 3.15Å; P134-L215 WeakPolarHBondContact CG-O 3.47Å; P134-Q216 VanDerWaalsContact CB-NE2 3.29Å; P134-V238 HydrophobicContact CG-CB 4.37Å; P134-V238 HydrophobicContact CG-CG1 3.98Å; P134-C239 HydrophobicContact CB-CB 4.39Å; P134-C239 HydrophobicContact CG-CB 4.03Å; P134-T242 HydrophobicContact CG-CG2 4.01Å; P134-T242 WeakPolarHBondContact O-CG2 3.03Å
135	S	98.2	Very high	98.6	Very high	109 Å²	109	60 Å²	60	76%	0.762	33%	0.333	S	S	*	.	S	Bend	trans	-92.4	-12.7	168.4	56.5	0	0	0	0	113.2
136	R	98.4	Very high	98.6	Very high	152 Å²	152	57.2 Å²	57.2	57%	0.574	31%	0.314	S	S	*	.	S	Bend	trans	-150	161.4	179.8	64.2	176.7	-176.7	-104.3	-8.5	110.2	P134 E138 Q216	P134-R136 WeakPolarHBondContact CB-O 3.47Å; R136-E138 IonicContact CZ-OE1 2.84Å; R136-E138 IonicContact NE-OE1 3.41Å; R136-E138 PolarHBondContact NE-OE1 3.37Å; R136-E138 VanDerWaalsContact NE-OE1 3.12Å; R136-E138 IonicContact NH2-OE1 2.72Å; R136-E138 PolarHBondContact NH2-OE1 3.35Å; R136-Q216 PolarHBondContact O-NE2 3.07Å; R136-Q216 VanDerWaalsContact O-NE2 3.11Å
137	C	98.7	Very high	98.6	Very high	55 Å²	55	52.9 Å²	52.9	37%	0.372	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-80.7	129.1	168.5	-51.3	0	0	0	0	109.4	C239	C137-C239 WeakPolarHBondContact CA-SG 3.32Å; C137-C239 HydrophobicContact CB-CB 3.95Å; C137-C239 WeakPolarHBondContact CB-SG 3.46Å; C137-C239 WeakPolarHBondContact SG-CB 3.31Å; C137-C239 CovalentContact SG-SG 2.03Å; C137-C239 PolarHBondContact SG-SG 3.46Å
138	E	98.7	Very high	98.6	Very high	10 Å²	10	50.5 Å²	50.5	5%	0.047	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-74.5	144.3	171.2	-70.2	-64.8	156.7	0	0	110.4	R136 T142 L170 C211 R212 Q216	R136-E138 IonicContact CZ-OE1 2.84Å; R136-E138 IonicContact NE-OE1 3.41Å; R136-E138 PolarHBondContact NE-OE1 3.37Å; R136-E138 VanDerWaalsContact NE-OE1 3.12Å; R136-E138 IonicContact NH2-OE1 2.72Å; R136-E138 PolarHBondContact NH2-OE1 3.35Å; E138-T142 HydrophobicContact CB-CG2 4.18Å; E138-L170 HydrophobicContact CB-CD1 4.01Å; E138-C211 HydrophobicContact CG-CB 4.29Å; E138-R212 WeakPolarHBondContact OE2-CD 3.42Å; E138-R212 IonicContact OE2-CZ 2.69Å; E138-R212 IonicContact OE2-NE 3.39Å; E138-R212 IonicContact OE2-NH1 2.71Å; E138-R212 PolarHBondContact OE2-NH1 2.92Å; E138-Q216 HydrophobicContact CB-CG 4.13Å; E138-Q216 HydrophobicContact CG-CG 3.98Å
139	P	98.6	Very high	98.6	Very high	65 Å²	65	50.4 Å²	50.4	42%	0.422	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-78	163.1	-174	31.7	-35.4	0	0	0	112.7	T142	P139-T142 WeakPolarHBondContact CD-OG1 3.3Å; P139-T142 WeakPolarHBondContact O-CB 3.14Å; P139-T142 PolarHBondContact O-N 2.86Å; P139-T142 PolarHBondContact O-OG1 3.3Å
140	P	98.7	Very high	98.5	Very high	76 Å²	76	45.3 Å²	45.3	49%	0.494	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50	149	169	-27.2	36.7	0	0	0	112.9	T142	P140-T142 VanDerWaalsContact C-N 3.26Å; P140-T142 PolarHBondContact O-N 2.59Å
141	G	98.6	Very high	98.3	Very high	45 Å²	45	41 Å²	41	46%	0.464	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.6	-13.9	-175.8	0	0	0	0	0	115.2	T143 L170	G141-T143 PolarHBondContact O-N 3.35Å; G141-L170 PolarHBondContact N-O 3.49Å
142	T	98.8	Very high	98	Very high	9 Å²	9	40.7 Å²	40.7	6%	0.055	23%	0.229	C	C	.	.			trans	-60.9	127.8	175.7	-56.6	0	0	0	0	110.4	E138 P139 P140 C144 K169 L170 C211 R212	E138-T142 HydrophobicContact CB-CG2 4.18Å; P139-T142 WeakPolarHBondContact CD-OG1 3.3Å; P139-T142 WeakPolarHBondContact O-CB 3.14Å; P139-T142 PolarHBondContact O-N 2.86Å; P139-T142 PolarHBondContact O-OG1 3.3Å; P140-T142 VanDerWaalsContact C-N 3.26Å; P140-T142 PolarHBondContact O-N 2.59Å; T142-C144 PolarHBondContact O-SG 2.93Å; T142-K169 WeakPolarHBondContact O-CA 3.43Å; T142-L170 PolarHBondContact O-N 2.88Å; T142-C211 HydrophobicContact CG2-CB 3.92Å; T142-R212 HydrophobicContact CG2-CG 4.15Å
143	T	98.6	Very high	97.8	Very high	71 Å²	71	35.1 Å²	35.1	44%	0.436	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	136.6	172	-57.5	0	0	0	0	110.3	G141 D167 V168 K169	G141-T143 PolarHBondContact O-N 3.35Å; T143-D167 HydrophobicContact CG2-CB 4.47Å; T143-V168 WeakPolarHBondContact CA-O 3.42Å; T143-K169 PolarHBondContact OG1-NZ 3.14Å
144	C	98.8	Very high	97.5	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.014	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	158.4	-178.8	-51.8	0	0	0	0	109.6	T142 D167 V168 L170 L209 V210 C211	T142-C144 PolarHBondContact O-SG 2.93Å; C144-D167 CarbonylContact O-C 3.59Å; C144-D167 WeakPolarHBondContact O-CA 3.39Å; C144-V168 HydrophobicContact CB-CG2 4.38Å; C144-V168 PolarHBondContact N-O 2.87Å; C144-V168 PolarHBondContact O-N 2.84Å; C144-V168 VanDerWaalsContact O-O 3.1Å; C144-L170 WeakPolarHBondContact SG-CD2 3.49Å; C144-L170 VanDerWaalsContact SG-CG 3.55Å; C144-L209 HydrophobicContact CB-CD1 3.55Å; C144-L209 HydrophobicContact CB-CG 3.93Å; C144-V210 CarbonylContact C-O 3.51Å; C144-V210 WeakPolarHBondContact CA-O 3.39Å; C144-V210 WeakPolarHBondContact CB-O 3.42Å; C144-C211 HydrophobicContact CB-CB 3.98Å; C144-C211 WeakPolarHBondContact CB-SG 3.2Å; C144-C211 WeakPolarHBondContact SG-CB 3.29Å; C144-C211 CovalentContact SG-SG 2.02Å; C144-C211 PolarHBondContact SG-SG 2.9Å
145	T	98.6	Very high	97.3	Very high	38 Å²	38	37.9 Å²	37.9	23%	0.233	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	130.3	172.9	-51.1	0	0	0	0	108.6	C165 V166 D167 V210	T145-C165 HydrophobicContact CG2-CB 4.05Å; T145-V166 WeakPolarHBondContact CA-O 3.31Å; T145-D167 WeakPolarHBondContact CB-OD1 3.45Å; T145-D167 PolarHBondContact OG1-OD1 3.24Å; T145-V210 PolarHBondContact N-O 2.71Å; T145-V210 PolarHBondContact O-N 3.47Å
146	V	98.5	Very high	97.1	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	143.8	167.8	60.2	0	0	0	0	109.1	C165 V166 A200 P208 L209 V219 Y235	V146-C165 WeakPolarHBondContact O-CA 3.2Å; V146-V166 HydrophobicContact CG1-CG1 3.27Å; V146-V166 PolarHBondContact N-O 2.75Å; V146-V166 PolarHBondContact O-N 3.01Å; V146-A200 HydrophobicContact CG2-CB 4.38Å; V146-P208 VanDerWaalsContact CA-O 3.27Å; V146-P208 WeakPolarHBondContact CA-O 3.42Å; V146-P208 WeakPolarHBondContact CG2-O 2.92Å; V146-L209 HydrophobicContact CB-CD1 4.03Å; V146-V219 HydrophobicContact CG2-CG2 3.6Å; V146-Y235 HydrophobicContact CB-CE1 4.37Å; V146-Y235 HydrophobicContact CG2-CE1 3.97Å
147	S	98.6	Very high	96.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	150.3	178.9	61.9	0	0	0	0	114.2	H41 Q44 M164 P208	H41-S147 PolarHBondContact CD2-OG 3.48Å; H41-S147 VanDerWaalsContact CD2-OG 3.23Å; Q44-S147 PolarHBondContact OE1-OG 3.43Å; S147-M164 CarbonylContact C-O 3.55Å; S147-M164 WeakPolarHBondContact CA-O 3.42Å; S147-M164 WeakPolarHBondContact CB-O 3.31Å; S147-P208 PolarHBondContact N-O 3.25Å; S147-P208 WeakPolarHBondContact OG-CG 3.35Å
148	G	98.5	Very high	96.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.6	176.9	-178.3	0	0	0	0	0	114.1	M164 D204	G148-M164 PolarHBondContact N-O 2.95Å; G148-M164 WeakPolarHBondContact O-CB 3.32Å; G148-M164 PolarHBondContact O-N 2.84Å; G148-D204 VanDerWaalsContact CA-OD1 3.26Å; G148-D204 WeakPolarHBondContact CA-OD1 3.08Å
149	W	98.2	Very high	96.6	Very high	3 Å²	3	41.6 Å²	41.6	1%	0.011	25%	0.254	C	S	.	.	S	Bend	trans	-113.2	18.8	175.5	-61.9	-83.6	0	0	0	111.2	Q44 A46 L53 D83 L85 P160 L163 D204	Q44-W149 HydrophobicContact CB-CH2 4.48Å; Q44-W149 HydrophobicContact CG-CE3 4.47Å; Q44-W149 HydrophobicContact CG-CH2 3.45Å; Q44-W149 VanDerWaalsContact CG-CH2 3.45Å; Q44-W149 HydrophobicContact CG-CZ2 4.35Å; Q44-W149 HydrophobicContact CG-CZ3 3.51Å; A46-W149 HydrophobicContact CB-CE3 3.87Å; A46-W149 HydrophobicContact CB-CH2 4.34Å; A46-W149 HydrophobicContact CB-CZ3 3.61Å; L53-W149 HydrophobicContact CD2-CB 3.86Å; L53-W149 WeakPolarHBondContact CD2-O 3.42Å; D83-W149 PolarHBondContact O-NE1 3.29Å; L85-W149 HydrophobicContact CB-CD2 4.38Å; L85-W149 HydrophobicContact CB-CG 4.05Å; L85-W149 HydrophobicContact CD1-CD2 4.25Å; L85-W149 HydrophobicContact CD1-CE3 4.46Å; L85-W149 HydrophobicContact CD1-CG 4.45Å; L85-W149 HydrophobicContact CD2-CB 4.14Å; L85-W149 HydrophobicContact CD2-CG 4.35Å; W149-P160 WeakPolarHBondContact O-CD 3.08Å; W149-L163 HydrophobicContact CD2-CD1 3.71Å; W149-L163 HydrophobicContact CE3-CD1 3.95Å; W149-L163 HydrophobicContact CG-CD1 4.29Å; W149-L163 HydrophobicContact CH2-CD1 4.02Å; W149-L163 HydrophobicContact CZ2-CB 4.01Å; W149-L163 HydrophobicContact CZ2-CD1 3.77Å; W149-L163 HydrophobicContact CZ2-CG 4.33Å; W149-L163 HydrophobicContact CZ3-CD1 4.09Å; W149-L163 VanDerWaalsContact NE1-CA 3.33Å; W149-D204 PolarHBondContact N-OD1 2.58Å
150	G	96.5	Very high	96.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	24%	0.24	C	C	.	.	S	Bend	trans	-64.3	172.5	174.8	0	0	0	0	0	112.2	P160 N202 D204	G150-P160 WeakPolarHBondContact O-CD 3.32Å; G150-N202 CarbonylContact C-O 3.46Å; G150-N202 WeakPolarHBondContact CA-O 3.46Å; G150-D204 WeakPolarHBondContact CA-OD1 3.4Å; G150-D204 PolarHBondContact N-OD1 2.97Å
151	T	94.7	Very high	96.4	Very high	0 Å²	0	39 Å²	39	0%	0	24%	0.239	C	C	.	.			trans	-62.2	143.1	-176.8	-176.6	0	0	0	0	111.9	T153 V157 T158 C201 N202	T151-T153 VanDerWaalsContact CG2-O 3.31Å; T151-T153 WeakPolarHBondContact CG2-O 3.24Å; T151-T153 PolarHBondContact OG1-N 3Å; T151-T153 PolarHBondContact OG1-O 2.02Å; T151-V157 HydrophobicContact CG2-CG1 4.21Å; T151-V157 VanDerWaalsContact OG1-CA 3.23Å; T151-V157 WeakPolarHBondContact OG1-CA 3.24Å; T151-V157 WeakPolarHBondContact OG1-CB 3.26Å; T151-T158 CarbonylContact C-O 3.54Å; T151-T158 VanDerWaalsContact CA-O 3.25Å; T151-T158 WeakPolarHBondContact CA-O 3.29Å; T151-T158 PolarHBondContact OG1-N 3.02Å; T151-T158 PolarHBondContact OG1-O 2.92Å; T151-C201 HydrophobicContact CG2-CB 3.89Å; T151-C201 WeakPolarHBondContact CG2-SG 3.33Å; T151-N202 HydrophobicContact CG2-CB 3.99Å; T151-N202 PolarHBondContact N-O 3.32Å
152	T	93.3	Very high	96.3	Very high	7 Å²	7	39.6 Å²	39.6	4%	0.043	23%	0.232	C	C	.	.	S	Bend	trans	-99.8	-10.4	-175.1	74.3	0	0	0	0	112.4	D28 K29 I31 T158 P160	D28-T152 WeakPolarHBondContact O-CB 3.36Å; D28-T152 PolarHBondContact O-OG1 2.9Å; K29-T152 HydrophobicContact CB-CG2 4.16Å; I31-T152 VanDerWaalsContact CD1-C 3.43Å; I31-T152 VanDerWaalsContact CD1-O 3.29Å; I31-T152 WeakPolarHBondContact CD1-O 3.47Å; T152-T158 WeakPolarHBondContact CG2-O 3.31Å; T152-T158 PolarHBondContact N-O 3.14Å; T152-T158 PolarHBondContact OG1-O 3.45Å; T152-P160 HydrophobicContact CG2-CB 3.94Å; T152-P160 HydrophobicContact CG2-CG 3.66Å
153	T	92.7	Very high	96.3	Very high	50 Å²	50	39.3 Å²	39.3	31%	0.307	23%	0.23	S	C	.	.	S	Bend	trans	-130.1	155.8	174.8	55.9	0	0	0	0	110	T151 D156 T158	T151-T153 VanDerWaalsContact CG2-O 3.31Å; T151-T153 WeakPolarHBondContact CG2-O 3.24Å; T151-T153 PolarHBondContact OG1-N 3Å; T151-T153 PolarHBondContact OG1-O 2.02Å; T153-D156 CarbonylContact C-O 3.56Å; T153-D156 WeakPolarHBondContact CB-O 3.21Å; T153-D156 PolarHBondContact OG1-O 2.83Å; T153-T158 WeakPolarHBondContact OG1-CB 3.25Å; T153-T158 PolarHBondContact OG1-N 2.97Å; T153-T158 VanDerWaalsContact OG1-N 3.14Å; T153-T158 PolarHBondContact OG1-OG1 3.21Å
154	S	93.9	Very high	96.3	Very high	30 Å²	30	36 Å²	36	21%	0.21	21%	0.209	C	C	.	.	S	Bend	trans	-155.3	140.3	177.5	-176.7	0	0	0	0	109.8	D156 F224 P225 C226	S154-D156 PolarHBondContact N-O 2.75Å; S154-F224 WeakPolarHBondContact OG-CE2 3.5Å; S154-P225 WeakPolarHBondContact OG-CA 3.45Å; S154-P225 WeakPolarHBondContact OG-CB 3.24Å; S154-C226 PolarHBondContact OG-N 3.37Å
155	P	93.9	Very high	96.3	Very high	73 Å²	73	36.7 Å²	36.7	47%	0.474	21%	0.214	S	C	.	.	S	Bend	cis	-77.1	-23.3	2.9	32.4	-36.1	0	0	0	114.4	V157 F224	P155-V157 WeakPolarHBondContact O-CG1 3.37Å; P155-V157 PolarHBondContact O-N 3.41Å; P155-F224 HydrophobicContact CB-CE1 4.28Å; P155-F224 HydrophobicContact CB-CE2 4.41Å; P155-F224 HydrophobicContact CB-CZ 3.66Å
156	D	94.8	Very high	96.2	Very high	134 Å²	134	35.1 Å²	35.1	72%	0.717	20%	0.204	S	C	*	.	S	Bend	trans	-69.5	127.5	173.3	-62.4	-47.2	0	0	0	109.5	T153 S154	T153-D156 CarbonylContact C-O 3.56Å; T153-D156 WeakPolarHBondContact CB-O 3.21Å; T153-D156 PolarHBondContact OG1-O 2.83Å; S154-D156 PolarHBondContact N-O 2.75Å
157	V	94	Very high	96.2	Very high	84 Å²	84	39.3 Å²	39.3	51%	0.509	23%	0.227	S	C	.	.			trans	-97.9	136.9	-167.1	-59.3	0	0	0	0	112.7	T151 P155 F159	T151-V157 HydrophobicContact CG2-CG1 4.21Å; T151-V157 VanDerWaalsContact OG1-CA 3.23Å; T151-V157 WeakPolarHBondContact OG1-CA 3.24Å; T151-V157 WeakPolarHBondContact OG1-CB 3.26Å; P155-V157 WeakPolarHBondContact O-CG1 3.37Å; P155-V157 PolarHBondContact O-N 3.41Å; V157-F159 HydrophobicContact CB-CE2 4.07Å; V157-F159 HydrophobicContact CG2-CD2 4.48Å; V157-F159 HydrophobicContact CG2-CE2 3.88Å
158	T	95.8	Very high	96.2	Very high	74 Å²	74	39.3 Å²	39.3	45%	0.454	23%	0.227	S	C	.	.			trans	-131.9	114	174	-58	0	0	0	0	107.3	T151 T152 T153	T151-T158 CarbonylContact C-O 3.54Å; T151-T158 VanDerWaalsContact CA-O 3.25Å; T151-T158 WeakPolarHBondContact CA-O 3.29Å; T151-T158 PolarHBondContact OG1-N 3.02Å; T151-T158 PolarHBondContact OG1-O 2.92Å; T152-T158 WeakPolarHBondContact CG2-O 3.31Å; T152-T158 PolarHBondContact N-O 3.14Å; T152-T158 PolarHBondContact OG1-O 3.45Å; T153-T158 WeakPolarHBondContact OG1-CB 3.25Å; T153-T158 PolarHBondContact OG1-N 2.97Å; T153-T158 VanDerWaalsContact OG1-N 3.14Å; T153-T158 PolarHBondContact OG1-OG1 3.21Å
159	F	95.1	Very high	96.2	Very high	113 Å²	113	43.4 Å²	43.4	50%	0.496	25%	0.245	S	C	.	.			trans	-95.3	125.7	-179.8	-71.2	-78.6	0	0	0	110.8	L53 V157	L53-F159 HydrophobicContact CD2-CD1 4.44Å; V157-F159 HydrophobicContact CB-CE2 4.07Å; V157-F159 HydrophobicContact CG2-CD2 4.48Å; V157-F159 HydrophobicContact CG2-CE2 3.88Å
160	P	96.3	Very high	96.2	Very high	18 Å²	18	43.5 Å²	43.5	12%	0.117	25%	0.245	C	C	.	.			trans	-79.8	148.5	-179.5	34.1	-30.1	0	0	0	110.5	W149 G150 T152 M164	W149-P160 WeakPolarHBondContact O-CD 3.08Å; G150-P160 WeakPolarHBondContact O-CD 3.32Å; T152-P160 HydrophobicContact CG2-CB 3.94Å; T152-P160 HydrophobicContact CG2-CG 3.66Å; P160-M164 HydrophobicContact CB-CG 3.76Å; P160-M164 HydrophobicContact CB-SD 4.12Å; P160-M164 HydrophobicContact CG-CG 3.49Å; P160-M164 VanDerWaalsContact CG-CG 3.49Å; P160-M164 HydrophobicContact CG-SD 4.48Å
161	S	95.9	Very high	96.3	Very high	69 Å²	69	45.6 Å²	45.6	48%	0.483	26%	0.256	S	S	.	.	S	Bend	trans	-75.3	-41.2	168.4	55.6	0	0	0	0	111.7	T84 L85	T84-S161 CarbonylContact C-O 3.52Å; T84-S161 WeakPolarHBondContact CA-O 3.39Å; L85-S161 PolarHBondContact N-O 3.17Å
162	D	97.7	Very high	96.5	Very high	57 Å²	57	46.2 Å²	46.2	31%	0.305	26%	0.26	S	S	.	.	B	Isolated β-bridge	trans	-84.7	150.7	-178	-59.4	-40.6	0	0	0	111.4	D83 T84 M164	D83-D162 CarbonylContact O-C 3.51Å; T84-D162 PolarHBondContact OG1-OD1 2.93Å; D162-M164 HydrophobicContact CB-SD 4.41Å; D162-M164 VanDerWaalsContact O-CG 3.3Å; D162-M164 WeakPolarHBondContact O-CG 3.36Å; D162-M164 PolarHBondContact O-N 3.34Å
163	L	98.3	Very high	96.7	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.016	28%	0.284	C	S	.	.			trans	-67.2	132.3	175.2	-177.6	68	0	0	0	109.3	C36 H41 Q44 D83 W149	C36-L163 HydrophobicContact CB-CD2 4.31Å; C36-L163 HydrophobicContact CB-CG 4.36Å; C36-L163 PolarHBondContact N-O 3.45Å; H41-L163 HydrophobicContact CB-CD2 3.73Å; Q44-L163 HydrophobicContact CB-CD2 4.1Å; Q44-L163 HydrophobicContact CG-CD1 3.71Å; Q44-L163 HydrophobicContact CG-CD2 3.87Å; Q44-L163 HydrophobicContact CG-CG 4.47Å; D83-L163 HydrophobicContact CB-CB 4.14Å; D83-L163 WeakPolarHBondContact O-CB 3.3Å; D83-L163 PolarHBondContact O-N 2.96Å; W149-L163 HydrophobicContact CD2-CD1 3.71Å; W149-L163 HydrophobicContact CE3-CD1 3.95Å; W149-L163 HydrophobicContact CG-CD1 4.29Å; W149-L163 HydrophobicContact CH2-CD1 4.02Å; W149-L163 HydrophobicContact CZ2-CB 4.01Å; W149-L163 HydrophobicContact CZ2-CD1 3.77Å; W149-L163 HydrophobicContact CZ2-CG 4.33Å; W149-L163 HydrophobicContact CZ3-CD1 4.09Å; W149-L163 VanDerWaalsContact NE1-CA 3.33Å
164	M	98.4	Very high	96.9	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	143.6	-171.5	-59.2	-45.2	-43.6	0	0	112.9	K29 I30 A34 P35 C36 S147 G148 P160 D162	K29-M164 HydrophobicContact CB-CB 4.45Å; K29-M164 HydrophobicContact CB-CE 2.85Å; K29-M164 HydrophobicContact CB-CG 3.73Å; K29-M164 HydrophobicContact CB-SD 3.38Å; K29-M164 WeakPolarHBondContact CB-SD 3.42Å; K29-M164 HydrophobicContact CD-CE 3.32Å; K29-M164 HydrophobicContact CD-SD 3.41Å; K29-M164 WeakPolarHBondContact CD-SD 3.45Å; K29-M164 HydrophobicContact CG-CE 3.6Å; K29-M164 HydrophobicContact CG-SD 3.74Å; I30-M164 HydrophobicContact CB-CB 3.83Å; I30-M164 HydrophobicContact CD1-CB 4.41Å; I30-M164 HydrophobicContact CG1-CB 3.21Å; I30-M164 HydrophobicContact CG1-CG 4.32Å; A34-M164 WeakPolarHBondContact O-CE 3.26Å; P35-M164 HydrophobicContact CB-CE 4.28Å; P35-M164 HydrophobicContact CG-CE 3.99Å; P35-M164 HydrophobicContact CG-SD 4.38Å; C36-M164 PolarHBondContact SG-O 3.39Å; S147-M164 CarbonylContact C-O 3.55Å; S147-M164 WeakPolarHBondContact CA-O 3.42Å; S147-M164 WeakPolarHBondContact CB-O 3.31Å; G148-M164 PolarHBondContact N-O 2.95Å; G148-M164 WeakPolarHBondContact O-CB 3.32Å; G148-M164 PolarHBondContact O-N 2.84Å; P160-M164 HydrophobicContact CB-CG 3.76Å; P160-M164 HydrophobicContact CB-SD 4.12Å; P160-M164 HydrophobicContact CG-CG 3.49Å; P160-M164 VanDerWaalsContact CG-CG 3.49Å; P160-M164 HydrophobicContact CG-SD 4.48Å; D162-M164 HydrophobicContact CB-SD 4.41Å; D162-M164 VanDerWaalsContact O-CG 3.3Å; D162-M164 WeakPolarHBondContact O-CG 3.36Å; D162-M164 PolarHBondContact O-N 3.34Å
165	C	98.3	Very high	97.1	Very high	18 Å²	18	56 Å²	56	12%	0.122	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	142.2	-177.1	-84.3	0	0	0	0	111	G33 A34 C36 H41 T145 V146	G33-C165 WeakPolarHBondContact CA-O 3.17Å; A34-C165 PolarHBondContact N-O 2.7Å; A34-C165 PolarHBondContact O-N 2.84Å; A34-C165 VanDerWaalsContact O-O 3.13Å; C36-C165 VanDerWaalsContact CA-SG 3.59Å; C36-C165 HydrophobicContact CB-CB 4.06Å; C36-C165 WeakPolarHBondContact CB-SG 3.49Å; C36-C165 VanDerWaalsContact SG-CA 3.6Å; C36-C165 WeakPolarHBondContact SG-CB 3.34Å; C36-C165 PolarHBondContact SG-N 2.83Å; C36-C165 VanDerWaalsContact SG-N 3.37Å; C36-C165 CovalentContact SG-SG 2.03Å; C36-C165 PolarHBondContact SG-SG 2.79Å; H41-C165 PolarHBondContact CE1-SG 3.06Å; T145-C165 HydrophobicContact CG2-CB 4.05Å; V146-C165 WeakPolarHBondContact O-CA 3.2Å
166	V	97.1	Very high	97.3	Very high	5 Å²	5	52.6 Å²	52.6	3%	0.03	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	141.1	167.4	71.5	0	0	0	0	110.5	I30 T145 V146 V168 K198	I30-V166 HydrophobicContact CG2-CB 4.01Å; I30-V166 HydrophobicContact CG2-CG1 3.47Å; I30-V166 VanDerWaalsContact CG2-CG1 3.47Å; T145-V166 WeakPolarHBondContact CA-O 3.31Å; V146-V166 HydrophobicContact CG1-CG1 3.27Å; V146-V166 PolarHBondContact N-O 2.75Å; V146-V166 PolarHBondContact O-N 3.01Å; V166-V168 HydrophobicContact CG1-CG1 4.44Å; V166-K198 HydrophobicContact CG2-CB 3.47Å; V166-K198 VanDerWaalsContact CG2-CB 3.47Å; V166-K198 HydrophobicContact CG2-CD 3.55Å; V166-K198 HydrophobicContact CG2-CG 3.4Å
167	D	97.9	Very high	97.4	Very high	87 Å²	87	49.4 Å²	49.4	47%	0.465	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	132.6	175.9	-75.7	-14.1	0	0	0	110.7	T143 C144 T145	T143-D167 HydrophobicContact CG2-CB 4.47Å; C144-D167 CarbonylContact O-C 3.59Å; C144-D167 WeakPolarHBondContact O-CA 3.39Å; T145-D167 WeakPolarHBondContact CB-OD1 3.45Å; T145-D167 PolarHBondContact OG1-OD1 3.24Å
168	V	98.3	Very high	97.6	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	165.4	179	-66.3	0	0	0	0	110	T143 C144 V166 A191 L209	T143-V168 WeakPolarHBondContact CA-O 3.42Å; C144-V168 HydrophobicContact CB-CG2 4.38Å; C144-V168 PolarHBondContact N-O 2.87Å; C144-V168 PolarHBondContact O-N 2.84Å; C144-V168 VanDerWaalsContact O-O 3.1Å; V166-V168 HydrophobicContact CG1-CG1 4.44Å; V168-A191 HydrophobicContact CB-CB 4.15Å; V168-A191 HydrophobicContact CG2-CB 3.67Å; V168-L209 HydrophobicContact CG2-CD1 3.54Å
169	K	98.7	Very high	97.6	Very high	87 Å²	87	51.9 Å²	51.9	38%	0.378	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	142.7	173.5	-71.3	176.8	178.6	-66.7	0	110.4	T142 T143 I171 A191 G192 I193	T142-K169 WeakPolarHBondContact O-CA 3.43Å; T143-K169 PolarHBondContact OG1-NZ 3.14Å; K169-I171 PolarHBondContact O-N 3.17Å; K169-A191 CarbonylContact O-C 3.6Å; K169-A191 WeakPolarHBondContact O-CA 3.35Å; K169-A191 WeakPolarHBondContact O-CB 3.39Å; K169-G192 PolarHBondContact N-O 2.81Å; K169-G192 PolarHBondContact O-N 3.29Å; K169-I193 HydrophobicContact CB-CD1 4.29Å; K169-I193 HydrophobicContact CD-CD1 4.2Å; K169-I193 HydrophobicContact CG-CD1 3.89Å
170	L	98.8	Very high	97.8	Very high	5 Å²	5	47 Å²	47	3%	0.026	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	135	172.6	-59.4	-170.5	0	0	0	110.3	E138 G141 T142 C144 L189 A191 L209	E138-L170 HydrophobicContact CB-CD1 4.01Å; G141-L170 PolarHBondContact N-O 3.49Å; T142-L170 PolarHBondContact O-N 2.88Å; C144-L170 WeakPolarHBondContact SG-CD2 3.49Å; C144-L170 VanDerWaalsContact SG-CG 3.55Å; L170-L189 HydrophobicContact CD1-CD1 4.33Å; L170-L189 HydrophobicContact CD2-CD1 4.05Å; L170-L189 HydrophobicContact CD2-CD2 3.78Å; L170-L189 HydrophobicContact CD2-CG 4.07Å; L170-A191 HydrophobicContact CD2-CB 4.08Å; L170-L209 HydrophobicContact CD2-CD2 3.79Å
171	I	98.7	Very high	97.8	Very high	43 Å²	43	53 Å²	53	22%	0.221	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	142.5	179.5	-61.7	176.8	0	0	0	108.6	K169 D175 C176 C190 P232	K169-I171 PolarHBondContact O-N 3.17Å; I171-D175 HydrophobicContact CG2-CB 3.74Å; I171-C176 HydrophobicContact CG2-CB 4.2Å; I171-C190 HydrophobicContact CB-CB 4Å; I171-C190 PolarHBondContact N-O 2.9Å; I171-P232 HydrophobicContact CD1-CB 3.82Å; I171-P232 HydrophobicContact CD1-CG 3.6Å
172	S	98.3	Very high	97.8	Very high	14 Å²	14	57.4 Å²	57.4	10%	0.098	30%	0.295	C	S	.	.			trans	-64.6	148.9	179.1	79.2	0	0	0	0	110.7	Q174 D175 C176	S172-Q174 PolarHBondContact O-N 2.82Å; S172-D175 PolarHBondContact O-N 3.28Å; S172-D175 WeakPolarHBondContact OG-CB 3.31Å; S172-D175 PolarHBondContact OG-N 3.06Å; S172-D175 PolarHBondContact OG-OD2 3.05Å; S172-C176 PolarHBondContact O-N 2.95Å
173	P	97.3	Very high	97.7	Very high	84 Å²	84	60 Å²	60	55%	0.545	31%	0.308	S	S	.	.	H	α-helix	trans	-53.5	-40.9	172.2	-26.7	35.3	0	0	0	111.9	D175 C176 T177	P173-D175 VanDerWaalsContact C-N 3.35Å; P173-D175 PolarHBondContact O-N 2.79Å; P173-C176 PolarHBondContact O-N 2.86Å; P173-T177 WeakPolarHBondContact O-CB 3.29Å; P173-T177 PolarHBondContact O-N 2.96Å; P173-T177 PolarHBondContact O-OG1 2.95Å
174	Q	97.4	Very high	97.7	Very high	134 Å²	134	61.3 Å²	61.3	63%	0.626	32%	0.315	S	S	*	.	H	α-helix	trans	-62	-40.3	-179	-62.9	76.9	17.3	0	0	112.5	S172	S172-Q174 PolarHBondContact O-N 2.82Å
175	D	98	Very high	97.5	Very high	75 Å²	75	64.8 Å²	64.8	40%	0.401	33%	0.331	S	S	.	.	H	α-helix	trans	-75.2	-39.8	177.9	-65	-43.2	0	0	0	111.5	I171 S172 P173 T177 K178	I171-D175 HydrophobicContact CG2-CB 3.74Å; S172-D175 PolarHBondContact O-N 3.28Å; S172-D175 WeakPolarHBondContact OG-CB 3.31Å; S172-D175 PolarHBondContact OG-N 3.06Å; S172-D175 PolarHBondContact OG-OD2 3.05Å; P173-D175 VanDerWaalsContact C-N 3.35Å; P173-D175 PolarHBondContact O-N 2.79Å; D175-T177 VanDerWaalsContact C-N 3.35Å; D175-T177 PolarHBondContact O-N 3.34Å; D175-K178 WeakPolarHBondContact O-CB 3.29Å; D175-K178 PolarHBondContact O-N 2.79Å; D175-K178 VanDerWaalsContact O-N 3.17Å; D175-K178 IonicContact OD1-NZ 2.68Å; D175-K178 PolarHBondContact OD1-NZ 3.03Å
176	C	98	Very high	97.4	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-68.4	-34.4	180	-155.8	0	0	0	0	112.5	I171 S172 P173 K178 V179 Y180 L184 C190	I171-C176 HydrophobicContact CG2-CB 4.2Å; S172-C176 PolarHBondContact O-N 2.95Å; P173-C176 PolarHBondContact O-N 2.86Å; C176-K178 PolarHBondContact O-N 3.32Å; C176-V179 PolarHBondContact O-N 3.18Å; C176-Y180 PolarHBondContact O-N 3.16Å; C176-L184 VanDerWaalsContact C-CD1 3.42Å; C176-L184 HydrophobicContact CB-CD1 3.61Å; C176-L184 VanDerWaalsContact SG-CD1 3.59Å; C176-C190 HydrophobicContact CB-CB 3.6Å; C176-C190 WeakPolarHBondContact CB-SG 3.22Å; C176-C190 WeakPolarHBondContact SG-CB 3.07Å; C176-C190 CovalentContact SG-SG 2.01Å; C176-C190 PolarHBondContact SG-SG 3.26Å
177	T	97.4	Very high	97.4	Very high	67 Å²	67	71.8 Å²	71.8	41%	0.411	37%	0.368	S	S	.	.	H	α-helix	trans	-62.9	-23.8	173.9	-61.1	0	0	0	0	112.6	P173 D175 V179 K181	P173-T177 WeakPolarHBondContact O-CB 3.29Å; P173-T177 PolarHBondContact O-N 2.96Å; P173-T177 PolarHBondContact O-OG1 2.95Å; D175-T177 VanDerWaalsContact C-N 3.35Å; D175-T177 PolarHBondContact O-N 3.34Å; T177-V179 PolarHBondContact O-N 3.05Å; T177-K181 VanDerWaalsContact O-CA 3.24Å; T177-K181 WeakPolarHBondContact O-CA 3.28Å; T177-K181 PolarHBondContact O-N 2.83Å
178	K	97.6	Very high	97.5	Very high	152 Å²	152	68.5 Å²	68.5	66%	0.661	35%	0.35	S	S	*	.	H	α-helix	trans	-64.7	-30	173.1	-62	167.6	-173	164.8	0	112.1	D175 C176	D175-K178 WeakPolarHBondContact O-CB 3.29Å; D175-K178 PolarHBondContact O-N 2.79Å; D175-K178 VanDerWaalsContact O-N 3.17Å; D175-K178 IonicContact OD1-NZ 2.68Å; D175-K178 PolarHBondContact OD1-NZ 3.03Å; C176-K178 PolarHBondContact O-N 3.32Å
179	V	97.3	Very high	97.5	Very high	58 Å²	58	69.1 Å²	69.1	35%	0.352	35%	0.354	S	S	.	.	H	α-helix	trans	-87.9	-57	178.4	-177.2	0	0	0	0	110.2	C176 T177	C176-V179 PolarHBondContact O-N 3.18Å; T177-V179 PolarHBondContact O-N 3.05Å
180	Y	97.6	Very high	97.5	Very high	12 Å²	12	65.3 Å²	65.3	5%	0.047	34%	0.338	C	S	.	.	H	α-helix	trans	-96.5	-10.9	-168	-69	-48.9	0	0	0	115.7	C176 D182 L183 L184 W221 T223 P232 V234	C176-Y180 PolarHBondContact O-N 3.16Å; Y180-D182 PolarHBondContact O-N 3.45Å; Y180-L183 VanDerWaalsContact O-CB 3.28Å; Y180-L183 WeakPolarHBondContact O-CB 3.37Å; Y180-L183 WeakPolarHBondContact O-CG 3.44Å; Y180-L183 PolarHBondContact O-N 2.92Å; Y180-L184 HydrophobicContact CD2-CD1 4.26Å; Y180-L184 HydrophobicContact CD2-CD2 4.27Å; Y180-L184 HydrophobicContact CD2-CG 4.29Å; Y180-L184 HydrophobicContact CG-CG 4.45Å; Y180-W221 AromaticContact CD1-CH2 3.8Å; Y180-W221 HydrophobicContact CD1-CH2 3.8Å; Y180-W221 AromaticContact CD1-CZ3 3.75Å; Y180-W221 HydrophobicContact CD1-CZ3 3.75Å; Y180-W221 AromaticContact CD2-CH2 3.95Å; Y180-W221 HydrophobicContact CD2-CH2 3.95Å; Y180-W221 HydrophobicContact CD2-CZ3 4.31Å; Y180-W221 HydrophobicContact CE1-CH2 4.14Å; Y180-W221 AromaticContact CE1-CZ3 3.65Å; Y180-W221 HydrophobicContact CE1-CZ3 3.65Å; Y180-W221 HydrophobicContact CE2-CH2 4.27Å; Y180-W221 HydrophobicContact CE2-CZ3 4.21Å; Y180-W221 AromaticContact CG-CH2 3.72Å; Y180-W221 HydrophobicContact CG-CH2 3.72Å; Y180-W221 HydrophobicContact CG-CZ3 4.1Å; Y180-W221 AromaticContact CZ-CZ3 3.89Å; Y180-T223 HydrophobicContact CE1-CG2 3.61Å; Y180-P232 HydrophobicContact CE2-CB 4.29Å; Y180-P232 HydrophobicContact CE2-CG 4.41Å; Y180-P232 WeakPolarHBondContact CE2-O 3.27Å; Y180-P232 PolarHBondContact OH-O 2.91Å; Y180-V234 HydrophobicContact CD2-CG2 3.85Å; Y180-V234 HydrophobicContact CE2-CG2 3.43Å; Y180-V234 VanDerWaalsContact CE2-CG2 3.43Å
181	K	97.5	Very high	97.5	Very high	142 Å²	142	65 Å²	65	62%	0.617	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	49.8	-127	177.2	-56	175.2	-176.9	171	0	111.4	T177 L183 L184	T177-K181 VanDerWaalsContact O-CA 3.24Å; T177-K181 WeakPolarHBondContact O-CA 3.28Å; T177-K181 PolarHBondContact O-N 2.83Å; K181-L183 PolarHBondContact O-N 2.73Å; K181-L184 PolarHBondContact O-N 2.85Å
182	D	95.6	Very high	97.5	Very high	163 Å²	163	63.3 Å²	63.3	87%	0.872	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-71.4	-4.9	-175.4	-55.8	-34.9	0	0	0	114	Y180 L184	Y180-D182 PolarHBondContact O-N 3.45Å; D182-L184 VanDerWaalsContact C-N 3.26Å
183	L	96.4	Very high	97.4	Very high	111 Å²	111	65 Å²	65	58%	0.581	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-74.8	-17.6	174	-59.1	175.1	0	0	0	112.5	Y180 K181 W221	Y180-L183 VanDerWaalsContact O-CB 3.28Å; Y180-L183 WeakPolarHBondContact O-CB 3.37Å; Y180-L183 WeakPolarHBondContact O-CG 3.44Å; Y180-L183 PolarHBondContact O-N 2.92Å; K181-L183 PolarHBondContact O-N 2.73Å; L183-W221 HydrophobicContact CB-CH2 4.02Å; L183-W221 HydrophobicContact CB-CZ2 4.42Å
184	L	96.6	Very high	97.3	Very high	31 Å²	31	65.6 Å²	65.6	16%	0.162	34%	0.34	C	S	.	.			trans	-90.1	129.4	178.1	-74.9	171.5	0	0	0	112.1	C176 Y180 K181 D182 M188 W221 V234	C176-L184 VanDerWaalsContact C-CD1 3.42Å; C176-L184 HydrophobicContact CB-CD1 3.61Å; C176-L184 VanDerWaalsContact SG-CD1 3.59Å; Y180-L184 HydrophobicContact CD2-CD1 4.26Å; Y180-L184 HydrophobicContact CD2-CD2 4.27Å; Y180-L184 HydrophobicContact CD2-CG 4.29Å; Y180-L184 HydrophobicContact CG-CG 4.45Å; K181-L184 PolarHBondContact O-N 2.85Å; D182-L184 VanDerWaalsContact C-N 3.26Å; L184-M188 HydrophobicContact CD2-CB 4.1Å; L184-M188 HydrophobicContact CD2-SD 4.04Å; L184-W221 HydrophobicContact CD2-CZ2 4.2Å; L184-V234 HydrophobicContact CD2-CG1 4.1Å; L184-V234 HydrophobicContact CD2-CG2 4.26Å
185	E	95.9	Very high	97.3	Very high	72 Å²	72	65.3 Å²	65.3	34%	0.336	34%	0.343	S	S	.	.			trans	-113.4	162.3	172.9	-63.5	-162.8	-131.6	0	0	112.1	T108 V110 S187 M188	T108-E185 WeakPolarHBondContact CB-OE1 3.32Å; T108-E185 PolarHBondContact OG1-OE1 2.91Å; V110-E185 HydrophobicContact CB-CB 4.18Å; V110-E185 HydrophobicContact CB-CG 4.23Å; V110-E185 VanDerWaalsContact CB-OE1 3.3Å; V110-E185 WeakPolarHBondContact CB-OE1 3.43Å; V110-E185 WeakPolarHBondContact CB-OE2 3.26Å; V110-E185 HydrophobicContact CG2-CB 3.7Å; V110-E185 HydrophobicContact CG2-CG 4.22Å; V110-E185 VanDerWaalsContact CG2-OE2 3.27Å; V110-E185 WeakPolarHBondContact CG2-OE2 3.18Å; E185-S187 PolarHBondContact O-N 3.4Å; E185-M188 HydrophobicContact CB-CE 4.29Å; E185-M188 WeakPolarHBondContact O-CB 3.37Å; E185-M188 PolarHBondContact O-N 3.48Å
186	N	95.4	Very high	97.1	Very high	157 Å²	157	62.9 Å²	62.9	84%	0.84	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-20.3	-167.4	-67.8	-15	0	0	0	116.9	K240	N186-K240 PolarHBondContact O-NZ 3.11Å; N186-K240 VanDerWaalsContact O-NZ 3.17Å
187	S	97.9	Very high	97	Very high	13 Å²	13	68.7 Å²	68.7	9%	0.091	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	10.3	-178.5	61.8	0	0	0	0	113.3	N111 E185 Q237	N111-S187 PolarHBondContact OD1-OG 2.83Å; E185-S187 PolarHBondContact O-N 3.4Å; S187-Q237 VanDerWaalsContact O-CB 3.22Å; S187-Q237 WeakPolarHBondContact O-CB 3.29Å; S187-Q237 PolarHBondContact O-N 3.36Å
188	M	98.7	Very high	96.8	Very high	19 Å²	19	68.6 Å²	68.6	9%	0.094	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	146.5	171.6	-61.7	-178.7	-178.4	0	0	111.1	T108 V110 L184 E185 W221 V234 Y235	T108-M188 VanDerWaalsContact O-CE 3.32Å; T108-M188 WeakPolarHBondContact O-CE 3.5Å; V110-M188 HydrophobicContact CB-CE 4.38Å; L184-M188 HydrophobicContact CD2-CB 4.1Å; L184-M188 HydrophobicContact CD2-SD 4.04Å; E185-M188 HydrophobicContact CB-CE 4.29Å; E185-M188 WeakPolarHBondContact O-CB 3.37Å; E185-M188 PolarHBondContact O-N 3.48Å; M188-W221 HydrophobicContact SD-CZ2 3.92Å; M188-V234 HydrophobicContact CB-CG1 3.84Å; M188-V234 HydrophobicContact CG-CG1 4.12Å; M188-V234 HydrophobicContact SD-CG1 3.94Å; M188-Y235 CarbonylContact C-O 3.56Å; M188-Y235 WeakPolarHBondContact CA-O 3.33Å
189	L	98.8	Very high	96.6	Very high	13 Å²	13	61.8 Å²	61.8	7%	0.068	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	133.8	177.3	174.4	65.3	0	0	0	108.3	L170 L209 Q216 Y235 Q237	L170-L189 HydrophobicContact CD1-CD1 4.33Å; L170-L189 HydrophobicContact CD2-CD1 4.05Å; L170-L189 HydrophobicContact CD2-CD2 3.78Å; L170-L189 HydrophobicContact CD2-CG 4.07Å; L189-L209 HydrophobicContact CD2-CD2 3.94Å; L189-Q216 HydrophobicContact CD2-CB 4.31Å; L189-Y235 PolarHBondContact N-O 3.07Å; L189-Y235 WeakPolarHBondContact O-CD2 3.45Å; L189-Y235 PolarHBondContact O-N 3.47Å; L189-Q237 HydrophobicContact CB-CB 3.89Å; L189-Q237 HydrophobicContact CB-CG 4Å; L189-Q237 HydrophobicContact CD2-CG 4.41Å
190	C	98.7	Very high	96.5	Very high	6 Å²	6	59.7 Å²	59.7	4%	0.041	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	143.4	175.8	-62.3	0	0	0	0	111.3	I171 C176 P232 G233	I171-C190 HydrophobicContact CB-CB 4Å; I171-C190 PolarHBondContact N-O 2.9Å; C176-C190 HydrophobicContact CB-CB 3.6Å; C176-C190 WeakPolarHBondContact CB-SG 3.22Å; C176-C190 WeakPolarHBondContact SG-CB 3.07Å; C176-C190 CovalentContact SG-SG 2.01Å; C176-C190 PolarHBondContact SG-SG 3.26Å; C190-P232 HydrophobicContact CB-CB 3.99Å; C190-G233 WeakPolarHBondContact CA-O 3.34Å
191	A	98.7	Very high	96.4	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	145.6	170.5	0	0	0	0	0	111.8	V168 K169 L170 L209 G233 Y235	V168-A191 HydrophobicContact CB-CB 4.15Å; V168-A191 HydrophobicContact CG2-CB 3.67Å; K169-A191 CarbonylContact O-C 3.6Å; K169-A191 WeakPolarHBondContact O-CA 3.35Å; K169-A191 WeakPolarHBondContact O-CB 3.39Å; L170-A191 HydrophobicContact CD2-CB 4.08Å; A191-L209 HydrophobicContact CB-CD2 4.06Å; A191-G233 PolarHBondContact N-O 3.49Å; A191-G233 PolarHBondContact O-N 2.02Å; A191-Y235 HydrophobicContact CB-CD2 4.23Å; A191-Y235 HydrophobicContact CB-CE2 3.72Å
192	G	98	Very high	96.2	Very high	6 Å²	6	56.5 Å²	56.5	6%	0.062	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.1	-175.8	177.9	0	0	0	0	0	110.9	K169	K169-G192 PolarHBondContact N-O 2.81Å; K169-G192 PolarHBondContact O-N 3.29Å
193	I	97.3	Very high	96.2	Very high	51 Å²	51	49.4 Å²	49.4	26%	0.262	27%	0.267	S	S	.	.			trans	-122.9	132.1	170	-61.6	-64.3	0	0	0	107.2	K169 D195 S196	K169-I193 HydrophobicContact CB-CD1 4.29Å; K169-I193 HydrophobicContact CD-CD1 4.2Å; K169-I193 HydrophobicContact CG-CD1 3.89Å; I193-D195 PolarHBondContact O-N 3.25Å; I193-S196 WeakPolarHBondContact O-CB 3.39Å; I193-S196 PolarHBondContact O-N 3.27Å
194	P	95.6	Very high	96.3	Very high	95 Å²	95	44.1 Å²	44.1	62%	0.617	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.5	139.4	176.4	-25.8	34.7	0	0	0	111.9	S196	P194-S196 PolarHBondContact O-N 2.03Å
195	D	95.8	Very high	96.4	Very high	129 Å²	129	43.6 Å²	43.6	69%	0.69	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	23.7	178.1	-56.3	-47.6	0	0	0	115.2	I193 N230	I193-D195 PolarHBondContact O-N 3.25Å; D195-N230 PolarHBondContact N-OD1 3.5Å; D195-N230 PolarHBondContact OD1-ND2 3.49Å
196	S	95.4	Very high	96.5	Very high	23 Å²	23	40.1 Å²	40.1	16%	0.161	22%	0.222	C	C	.	.			trans	-118.5	150.1	-177	-177.2	0	0	0	0	111.8	I193 P194 K198	I193-S196 WeakPolarHBondContact O-CB 3.39Å; I193-S196 PolarHBondContact O-N 3.27Å; P194-S196 PolarHBondContact O-N 2.03Å; S196-K198 VanDerWaalsContact C-N 3.32Å; S196-K198 WeakPolarHBondContact OG-CB 3.41Å; S196-K198 VanDerWaalsContact OG-CG 3.27Å; S196-K198 WeakPolarHBondContact OG-CG 3.42Å; S196-K198 PolarHBondContact OG-N 3.29Å
197	K	95.3	Very high	96.7	Very high	122 Å²	122	32.7 Å²	32.7	53%	0.53	18%	0.182	S	C	.	.			trans	-83.7	-10.2	173.1	-62	-170.2	158	155	0	113.3	I31 D32 N199 G227 P229	I31-K197 HydrophobicContact CG2-CB 4Å; I31-K197 WeakPolarHBondContact CG2-O 3.39Å; D32-K197 HydrophobicContact CB-CB 4.25Å; K197-N199 PolarHBondContact O-N 3.37Å; K197-G227 WeakPolarHBondContact CA-O 3.39Å; K197-G227 WeakPolarHBondContact CB-O 3.18Å; K197-G227 VanDerWaalsContact CG-O 3.28Å; K197-G227 WeakPolarHBondContact CG-O 3.28Å; K197-G227 VanDerWaalsContact O-CA 3.25Å; K197-G227 WeakPolarHBondContact O-CA 3.25Å; K197-P229 HydrophobicContact CG-CG 4.29Å
198	K	93.8	Very high	96.7	Very high	66 Å²	66	32 Å²	32	29%	0.287	18%	0.178	S	C	.	.			trans	-52.5	103	-178.7	-74.6	-175.7	166.7	60.3	0	111.9	I31 D32 V166 S196	I31-K198 VanDerWaalsContact O-CA 3.27Å; I31-K198 WeakPolarHBondContact O-CA 3.05Å; D32-K198 HydrophobicContact CB-CG 4.08Å; D32-K198 WeakPolarHBondContact O-CE 3.36Å; D32-K198 WeakPolarHBondContact O-CG 3.3Å; D32-K198 PolarHBondContact O-NZ 2.78Å; D32-K198 IonicContact OD1-NZ 3.88Å; D32-K198 PolarHBondContact OD1-NZ 2.95Å; D32-K198 WeakPolarHBondContact OD2-CG 3.29Å; D32-K198 IonicContact OD2-NZ 3.12Å; D32-K198 PolarHBondContact OD2-NZ 3.28Å; V166-K198 HydrophobicContact CG2-CB 3.47Å; V166-K198 VanDerWaalsContact CG2-CB 3.47Å; V166-K198 HydrophobicContact CG2-CD 3.55Å; V166-K198 HydrophobicContact CG2-CG 3.4Å; S196-K198 VanDerWaalsContact C-N 3.32Å; S196-K198 WeakPolarHBondContact OG-CB 3.41Å; S196-K198 VanDerWaalsContact OG-CG 3.27Å; S196-K198 WeakPolarHBondContact OG-CG 3.42Å; S196-K198 PolarHBondContact OG-N 3.29Å
199	N	93	Very high	96.7	Very high	8 Å²	8	31.1 Å²	31.1	4%	0.043	17%	0.173	C	C	.	.			trans	-159.7	162.3	-176.8	-144.6	-14.9	0	0	0	112.7	I30 I31 K197 D231 G233	I30-N199 WeakPolarHBondContact CG2-O 3.38Å; I31-N199 PolarHBondContact O-N 3.32Å; K197-N199 PolarHBondContact O-N 3.37Å; N199-D231 PolarHBondContact ND2-O 3.38Å; N199-G233 PolarHBondContact ND2-N 2.68Å; N199-G233 WeakPolarHBondContact OD1-CA 3.19Å; N199-G233 PolarHBondContact OD1-N 3.25Å
200	A	94.4	Very high	96.7	Very high	14 Å²	14	31.7 Å²	31.7	12%	0.116	18%	0.177	C	C	.	.			trans	-73	160.7	167.6	0	0	0	0	0	111.1	V146 D204 V219	V146-A200 HydrophobicContact CG2-CB 4.38Å; A200-D204 HydrophobicContact CB-CB 4.09Å; A200-V219 HydrophobicContact CB-CG1 3.74Å; A200-V219 HydrophobicContact CB-CG2 4.04Å
201	C	95.4	Very high	96.7	Very high	10 Å²	10	31.5 Å²	31.5	7%	0.068	18%	0.176	C	C	.	.			trans	-146.8	-169.7	176.5	-163.4	0	0	0	0	112.8	I31 T151 G203 D204 C226	I31-C201 HydrophobicContact CD1-CB 4.04Å; I31-C201 HydrophobicContact CG1-CB 3.96Å; T151-C201 HydrophobicContact CG2-CB 3.89Å; T151-C201 WeakPolarHBondContact CG2-SG 3.33Å; C201-G203 PolarHBondContact O-N 3Å; C201-D204 PolarHBondContact N-OD2 2.9Å; C201-D204 WeakPolarHBondContact O-CB 3.36Å; C201-D204 PolarHBondContact O-N 2.97Å; C201-C226 WeakPolarHBondContact CA-SG 3.49Å; C201-C226 HydrophobicContact CB-CB 3.6Å; C201-C226 WeakPolarHBondContact CB-SG 3.08Å; C201-C226 WeakPolarHBondContact SG-CB 3.04Å; C201-C226 CovalentContact SG-SG 2.02Å; C201-C226 PolarHBondContact SG-SG 3.1Å
202	N	93.8	Very high	96.7	Very high	78 Å²	78	39.3 Å²	39.3	42%	0.417	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	124.2	-178.5	-65.3	-56	0	0	0	111.5	G150 T151	G150-N202 CarbonylContact C-O 3.46Å; G150-N202 WeakPolarHBondContact CA-O 3.46Å; T151-N202 HydrophobicContact CG2-CB 3.99Å; T151-N202 PolarHBondContact N-O 3.32Å
203	G	95.7	Very high	96.7	Very high	14 Å²	14	41.3 Å²	41.3	14%	0.144	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.1	-17.4	-175.9	0	0	0	0	0	114.3	G56 C201	G56-G203 PolarHBondContact N-O 3.38Å; C201-G203 PolarHBondContact O-N 3Å
204	D	98.2	Very high	96.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.217	C	C	.	.			trans	-82.7	-15.3	176.1	-61.9	-44.6	0	0	0	113.4	I30 G148 W149 G150 A200 C201 G206 G207 V219	I30-D204 HydrophobicContact CD1-CB 4.44Å; I30-D204 VanDerWaalsContact CD1-OD1 3.24Å; I30-D204 WeakPolarHBondContact CD1-OD1 3.34Å; I30-D204 WeakPolarHBondContact CD1-OD2 3.21Å; G148-D204 VanDerWaalsContact CA-OD1 3.26Å; G148-D204 WeakPolarHBondContact CA-OD1 3.08Å; W149-D204 PolarHBondContact N-OD1 2.58Å; G150-D204 WeakPolarHBondContact CA-OD1 3.4Å; G150-D204 PolarHBondContact N-OD1 2.97Å; A200-D204 HydrophobicContact CB-CB 4.09Å; C201-D204 PolarHBondContact N-OD2 2.9Å; C201-D204 WeakPolarHBondContact O-CB 3.36Å; C201-D204 PolarHBondContact O-N 2.97Å; D204-G206 PolarHBondContact O-N 2.92Å; D204-G207 VanDerWaalsContact O-CA 3.3Å; D204-G207 WeakPolarHBondContact O-CA 3.25Å; D204-G207 PolarHBondContact O-N 3.23Å; D204-V219 HydrophobicContact CB-CG1 4.18Å; D204-V219 HydrophobicContact CB-CG2 4.38Å; D204-V219 WeakPolarHBondContact O-CB 3.19Å
205	S	98.5	Very high	96.9	Very high	19 Å²	19	35 Å²	35	13%	0.133	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.4	134.7	178.3	-69.8	0	0	0	0	113.5	C55 G56 H70 G207	C55-S205 VanDerWaalsContact CB-O 3.28Å; C55-S205 WeakPolarHBondContact CB-O 3.32Å; G56-S205 WeakPolarHBondContact CA-O 3.19Å; G56-S205 PolarHBondContact N-O 3.14Å; H70-S205 VanDerWaalsContact CE1-CB 3.46Å; H70-S205 WeakPolarHBondContact CE1-CB 3.03Å; H70-S205 PolarHBondContact CE1-OG 2.98Å; H70-S205 VanDerWaalsContact CE1-OG 3.29Å; H70-S205 WeakPolarHBondContact NE2-CB 3.08Å; H70-S205 PolarHBondContact NE2-OG 3.19Å; S205-G207 PolarHBondContact O-N 2.91Å; S205-G207 VanDerWaalsContact O-N 3.15Å
206	G	98.7	Very high	97.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	-10.4	-175.1	0	0	0	0	0	115.1	G57 T67 A68 D204 V219	G57-G206 WeakPolarHBondContact CA-O 3.41Å; T67-G206 WeakPolarHBondContact OG1-CA 3.48Å; A68-G206 VanDerWaalsContact N-CA 3.27Å; D204-G206 PolarHBondContact O-N 2.92Å; G206-V219 PolarHBondContact N-O 2.98Å
207	G	98.6	Very high	97.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.148	C	C	.	.			trans	-64.6	165.3	170.2	0	0	0	0	0	112.2	D204 S205 L218 V219	D204-G207 VanDerWaalsContact O-CA 3.3Å; D204-G207 WeakPolarHBondContact O-CA 3.25Å; D204-G207 PolarHBondContact O-N 3.23Å; S205-G207 PolarHBondContact O-N 2.91Å; S205-G207 VanDerWaalsContact O-N 3.15Å; G207-L218 CarbonylContact O-C 3.56Å; G207-L218 VanDerWaalsContact O-CA 3.29Å; G207-L218 WeakPolarHBondContact O-CA 3.26Å; G207-V219 PolarHBondContact O-N 2.98Å
208	P	98.8	Very high	97.4	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	148.6	-169.9	29.7	-34.1	0	0	0	115.7	W43 V58 V146 S147 L215	W43-P208 HydrophobicContact CE3-CB 4.09Å; W43-P208 HydrophobicContact CE3-CG 4.17Å; W43-P208 HydrophobicContact CH2-CB 3.64Å; W43-P208 HydrophobicContact CH2-CG 3.64Å; W43-P208 HydrophobicContact CZ3-CB 3.1Å; W43-P208 HydrophobicContact CZ3-CG 3.35Å; V58-P208 HydrophobicContact CG1-CB 3.6Å; V58-P208 HydrophobicContact CG1-CG 4.01Å; V146-P208 VanDerWaalsContact CA-O 3.27Å; V146-P208 WeakPolarHBondContact CA-O 3.42Å; V146-P208 WeakPolarHBondContact CG2-O 2.92Å; S147-P208 PolarHBondContact N-O 3.25Å; S147-P208 WeakPolarHBondContact OG-CG 3.35Å; P208-L215 HydrophobicContact CB-CD1 3.67Å
209	L	98.9	Very high	97.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	110.5	154.3	-178.1	72.2	0	0	0	109	C144 V146 V168 L170 L189 A191 Q216 G217 Y235	C144-L209 HydrophobicContact CB-CD1 3.55Å; C144-L209 HydrophobicContact CB-CG 3.93Å; V146-L209 HydrophobicContact CB-CD1 4.03Å; V168-L209 HydrophobicContact CG2-CD1 3.54Å; L170-L209 HydrophobicContact CD2-CD2 3.79Å; L189-L209 HydrophobicContact CD2-CD2 3.94Å; A191-L209 HydrophobicContact CB-CD2 4.06Å; L209-Q216 PolarHBondContact O-N 3.03Å; L209-G217 PolarHBondContact N-O 2.73Å; L209-G217 PolarHBondContact O-N 2.01Å; L209-G217 VanDerWaalsContact O-N 3.14Å; L209-Y235 HydrophobicContact CB-CD1 3.69Å; L209-Y235 HydrophobicContact CB-CE1 3.79Å; L209-Y235 HydrophobicContact CB-CG 4.45Å; L209-Y235 HydrophobicContact CD1-CE1 4.11Å; L209-Y235 HydrophobicContact CD2-CD1 3.96Å; L209-Y235 HydrophobicContact CD2-CD2 4.07Å; L209-Y235 HydrophobicContact CD2-CE1 4.15Å; L209-Y235 HydrophobicContact CD2-CE2 4.29Å; L209-Y235 HydrophobicContact CD2-CG 3.93Å; L209-Y235 HydrophobicContact CG-CD1 4.32Å; L209-Y235 HydrophobicContact CG-CE1 4.24Å
210	V	98.8	Very high	97.9	Very high	25 Å²	25	19 Å²	19	15%	0.152	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	128	179.4	163.6	0	0	0	0	111.6	W43 C144 T145 T214 L215	W43-V210 HydrophobicContact CE3-CG2 4.42Å; W43-V210 HydrophobicContact CH2-CB 3.77Å; W43-V210 HydrophobicContact CH2-CG2 3.04Å; W43-V210 HydrophobicContact CZ2-CB 4.31Å; W43-V210 HydrophobicContact CZ2-CG2 3.77Å; W43-V210 HydrophobicContact CZ3-CB 4.48Å; W43-V210 HydrophobicContact CZ3-CG2 3.34Å; C144-V210 CarbonylContact C-O 3.51Å; C144-V210 WeakPolarHBondContact CA-O 3.39Å; C144-V210 WeakPolarHBondContact CB-O 3.42Å; T145-V210 PolarHBondContact N-O 2.71Å; T145-V210 PolarHBondContact O-N 3.47Å; V210-T214 WeakPolarHBondContact CA-O 3.27Å; V210-L215 HydrophobicContact CG2-CD1 4.3Å
211	C	98.8	Very high	98.1	Very high	1 Å²	1	21 Å²	21	1%	0.007	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	130.4	177.6	-40.2	0	0	0	0	108.5	E138 T142 C144 G213 T214 Q216	E138-C211 HydrophobicContact CG-CB 4.29Å; T142-C211 HydrophobicContact CG2-CB 3.92Å; C144-C211 HydrophobicContact CB-CB 3.98Å; C144-C211 WeakPolarHBondContact CB-SG 3.2Å; C144-C211 WeakPolarHBondContact SG-CB 3.29Å; C144-C211 CovalentContact SG-SG 2.02Å; C144-C211 PolarHBondContact SG-SG 2.9Å; C211-G213 PolarHBondContact O-N 2.03Å; C211-T214 PolarHBondContact N-O 3.01Å; C211-T214 PolarHBondContact O-N 3.17Å; C211-T214 PolarHBondContact O-OG1 2.98Å; C211-Q216 HydrophobicContact CB-CB 4.33Å; C211-Q216 HydrophobicContact CB-CG 3.64Å; C211-Q216 VanDerWaalsContact SG-CB 3.56Å; C211-Q216 VanDerWaalsContact SG-CG 3.55Å
212	R	98	Very high	98.2	Very high	164 Å²	164	22.3 Å²	22.3	62%	0.619	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.7	39.4	179.1	-63.8	177.7	171.1	165.7	-6.4	113.3	E138 T142 T214	E138-R212 WeakPolarHBondContact OE2-CD 3.42Å; E138-R212 IonicContact OE2-CZ 2.69Å; E138-R212 IonicContact OE2-NE 3.39Å; E138-R212 IonicContact OE2-NH1 2.71Å; E138-R212 PolarHBondContact OE2-NH1 2.92Å; T142-R212 HydrophobicContact CG2-CG 4.15Å; R212-T214 PolarHBondContact O-N 3.09Å
213	G	97.8	Very high	98.2	Very high	49 Å²	49	20.3 Å²	20.3	51%	0.505	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	14.7	177.4	0	0	0	0	0	115.9	C211	C211-G213 PolarHBondContact O-N 2.03Å
214	T	98.8	Very high	98.2	Very high	12 Å²	12	25.8 Å²	25.8	7%	0.074	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	149.4	173.9	63.6	0	0	0	0	111.7	R132 V210 C211 R212 Q216	R132-T214 HydrophobicContact CG-CG2 4.14Å; R132-T214 WeakPolarHBondContact O-CA 3.25Å; V210-T214 WeakPolarHBondContact CA-O 3.27Å; C211-T214 PolarHBondContact N-O 3.01Å; C211-T214 PolarHBondContact O-N 3.17Å; C211-T214 PolarHBondContact O-OG1 2.98Å; R212-T214 PolarHBondContact O-N 3.09Å; T214-Q216 PolarHBondContact O-N 2.84Å; T214-Q216 PolarHBondContact OG1-NE2 2.93Å
215	L	98.9	Very high	98.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	103.3	175.6	-176.1	70.9	0	0	0	110.6	W43 V58 L66 V131 R132 L133 P134 P208 V210 G217 L218 V238	W43-L215 HydrophobicContact CZ3-CD1 4.41Å; V58-L215 HydrophobicContact CG1-CD1 4.13Å; V58-L215 HydrophobicContact CG2-CD2 3.73Å; L66-L215 HydrophobicContact CD2-CD2 4.05Å; V131-L215 HydrophobicContact CG1-CD2 4.16Å; V131-L215 HydrophobicContact CG2-CB 3.8Å; V131-L215 HydrophobicContact CG2-CD1 4.45Å; V131-L215 HydrophobicContact CG2-CG 4.5Å; R132-L215 PolarHBondContact O-N 3.39Å; L133-L215 HydrophobicContact CD2-CD2 4.2Å; P134-L215 WeakPolarHBondContact CD-O 3.15Å; P134-L215 WeakPolarHBondContact CG-O 3.47Å; P208-L215 HydrophobicContact CB-CD1 3.67Å; V210-L215 HydrophobicContact CG2-CD1 4.3Å; L215-G217 VanDerWaalsContact CD1-O 3.29Å; L215-G217 WeakPolarHBondContact CD1-O 3.38Å; L215-L218 HydrophobicContact CD1-CD2 4.45Å; L215-L218 HydrophobicContact CD2-CD2 4.2Å; L215-V238 HydrophobicContact CD2-CG1 4.14Å; L215-V238 HydrophobicContact CD2-CG2 4.1Å; L215-V238 HydrophobicContact CG-CB 4.5Å; L215-V238 HydrophobicContact CG-CG1 4.39Å; L215-V238 HydrophobicContact CG-CG2 4.05Å
216	Q	98.9	Very high	98	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-28.6	179.4	-69.5	-64.3	-46.8	0	0	112.6	P134 R136 E138 L189 L209 C211 T214 V238	P134-Q216 VanDerWaalsContact CB-NE2 3.29Å; R136-Q216 PolarHBondContact O-NE2 3.07Å; R136-Q216 VanDerWaalsContact O-NE2 3.11Å; E138-Q216 HydrophobicContact CB-CG 4.13Å; E138-Q216 HydrophobicContact CG-CG 3.98Å; L189-Q216 HydrophobicContact CD2-CB 4.31Å; L209-Q216 PolarHBondContact O-N 3.03Å; C211-Q216 HydrophobicContact CB-CB 4.33Å; C211-Q216 HydrophobicContact CB-CG 3.64Å; C211-Q216 VanDerWaalsContact SG-CB 3.56Å; C211-Q216 VanDerWaalsContact SG-CG 3.55Å; T214-Q216 PolarHBondContact O-N 2.84Å; T214-Q216 PolarHBondContact OG1-NE2 2.93Å; Q216-V238 PolarHBondContact O-N 2.97Å
217	G	98.9	Very high	97.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	157.2	-177.8	0	0	0	0	0	113.7	L209 L215 T236	L209-G217 PolarHBondContact N-O 2.73Å; L209-G217 PolarHBondContact O-N 2.01Å; L209-G217 VanDerWaalsContact O-N 3.14Å; L215-G217 VanDerWaalsContact CD1-O 3.29Å; L215-G217 WeakPolarHBondContact CD1-O 3.38Å; G217-T236 VanDerWaalsContact CA-O 3.29Å; G217-T236 WeakPolarHBondContact CA-O 3.47Å
218	L	98.9	Very high	97.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	133.3	160.3	-59.1	167.5	0	0	0	107.5	V58 L66 L113 G207 L215 S220 Y235 T236 V238	V58-L218 HydrophobicContact CG2-CD2 4.12Å; L66-L218 HydrophobicContact CD1-CD1 4.21Å; L66-L218 HydrophobicContact CD2-CD1 3.88Å; L66-L218 HydrophobicContact CD2-CD2 4.14Å; L66-L218 HydrophobicContact CD2-CG 4.42Å; L66-L218 HydrophobicContact CG-CD1 3.69Å; L66-L218 HydrophobicContact CG-CD2 4.19Å; L113-L218 HydrophobicContact CB-CD1 3.91Å; G207-L218 CarbonylContact O-C 3.56Å; G207-L218 VanDerWaalsContact O-CA 3.29Å; G207-L218 WeakPolarHBondContact O-CA 3.26Å; L215-L218 HydrophobicContact CD1-CD2 4.45Å; L215-L218 HydrophobicContact CD2-CD2 4.2Å; L218-S220 PolarHBondContact O-N 2.56Å; L218-Y235 CarbonylContact O-C 3.54Å; L218-Y235 WeakPolarHBondContact O-CA 3.35Å; L218-Y235 VanDerWaalsContact O-CB 3.31Å; L218-Y235 WeakPolarHBondContact O-CB 3.35Å; L218-T236 PolarHBondContact N-O 2.95Å; L218-T236 PolarHBondContact O-N 3.28Å; L218-V238 HydrophobicContact CD1-CG2 4.36Å; L218-V238 HydrophobicContact CG-CG2 3.86Å
219	V	98.8	Very high	97.4	Very high	7 Å²	7	35.1 Å²	35.1	4%	0.042	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	126.4	175.1	178.7	0	0	0	0	108.8	V146 A200 D204 G206 G207 Y235	V146-V219 HydrophobicContact CG2-CG2 3.6Å; A200-V219 HydrophobicContact CB-CG1 3.74Å; A200-V219 HydrophobicContact CB-CG2 4.04Å; D204-V219 HydrophobicContact CB-CG1 4.18Å; D204-V219 HydrophobicContact CB-CG2 4.38Å; D204-V219 WeakPolarHBondContact O-CB 3.19Å; G206-V219 PolarHBondContact N-O 2.98Å; G207-V219 PolarHBondContact O-N 2.98Å; V219-Y235 HydrophobicContact CB-CD1 4.45Å; V219-Y235 HydrophobicContact CB-CE1 4.42Å; V219-Y235 HydrophobicContact CG2-CD1 4.08Å; V219-Y235 HydrophobicContact CG2-CE1 3.68Å
220	S	98.6	Very high	97.3	Very high	5 Å²	5	38.9 Å²	38.9	4%	0.035	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	-63.4	-178.2	-177.4	0	0	0	0	110.7	H70 D112 L218 V234	H70-S220 PolarHBondContact CE1-O 3.2Å; D112-S220 WeakPolarHBondContact CB-OG 3.35Å; D112-S220 WeakPolarHBondContact OD2-CB 3.5Å; D112-S220 PolarHBondContact OD2-OG 2.98Å; L218-S220 PolarHBondContact O-N 2.56Å; S220-V234 WeakPolarHBondContact CB-O 3.49Å; S220-V234 PolarHBondContact N-O 3Å
221	W	98.2	Very high	97.2	Very high	57 Å²	57	39.4 Å²	39.4	22%	0.216	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	174	-178.1	62	-91	0	0	0	111.9	Y180 L183 L184 M188 V234	Y180-W221 AromaticContact CD1-CH2 3.8Å; Y180-W221 HydrophobicContact CD1-CH2 3.8Å; Y180-W221 AromaticContact CD1-CZ3 3.75Å; Y180-W221 HydrophobicContact CD1-CZ3 3.75Å; Y180-W221 AromaticContact CD2-CH2 3.95Å; Y180-W221 HydrophobicContact CD2-CH2 3.95Å; Y180-W221 HydrophobicContact CD2-CZ3 4.31Å; Y180-W221 HydrophobicContact CE1-CH2 4.14Å; Y180-W221 AromaticContact CE1-CZ3 3.65Å; Y180-W221 HydrophobicContact CE1-CZ3 3.65Å; Y180-W221 HydrophobicContact CE2-CH2 4.27Å; Y180-W221 HydrophobicContact CE2-CZ3 4.21Å; Y180-W221 AromaticContact CG-CH2 3.72Å; Y180-W221 HydrophobicContact CG-CH2 3.72Å; Y180-W221 HydrophobicContact CG-CZ3 4.1Å; Y180-W221 AromaticContact CZ-CZ3 3.89Å; L183-W221 HydrophobicContact CB-CH2 4.02Å; L183-W221 HydrophobicContact CB-CZ2 4.42Å; L184-W221 HydrophobicContact CD2-CZ2 4.2Å; M188-W221 HydrophobicContact SD-CZ2 3.92Å; W221-V234 HydrophobicContact CD2-CB 3.73Å; W221-V234 HydrophobicContact CD2-CG1 4.2Å; W221-V234 HydrophobicContact CD2-CG2 3.94Å; W221-V234 HydrophobicContact CE3-CB 4.24Å; W221-V234 HydrophobicContact CE3-CG2 3.98Å; W221-V234 HydrophobicContact CG-CB 4.09Å; W221-V234 HydrophobicContact CH2-CB 4.42Å; W221-V234 HydrophobicContact CH2-CG2 3.71Å; W221-V234 HydrophobicContact CZ2-CB 3.95Å; W221-V234 HydrophobicContact CZ2-CG1 3.78Å; W221-V234 HydrophobicContact CZ2-CG2 3.68Å; W221-V234 HydrophobicContact CZ3-CG2 3.85Å; W221-V234 PolarHBondContact N-O 2.68Å; W221-V234 WeakPolarHBondContact O-CA 3.01Å; W221-V234 WeakPolarHBondContact O-CB 2.93Å; W221-V234 PolarHBondContact O-N 3.42Å; W221-V234 VanDerWaalsContact O-O 3.1Å
222	G	96.7	Very high	97.2	Very high	37 Å²	37	39.7 Å²	39.7	38%	0.381	22%	0.219	S	C	.	.			trans	-165	-176.4	172.7	0	0	0	0	0	109.1
223	T	95.8	Very high	97.2	Very high	36 Å²	36	32 Å²	32	22%	0.221	19%	0.191	C	C	.	.			trans	-70.6	158.1	171.2	59	0	0	0	0	111.7	Y180 Q228 D231	Y180-T223 HydrophobicContact CE1-CG2 3.61Å; T223-Q228 PolarHBondContact OG1-NE2 2.64Å; T223-D231 VanDerWaalsContact CB-OD2 3.31Å; T223-D231 WeakPolarHBondContact CB-OD2 3.18Å; T223-D231 HydrophobicContact CG2-CB 4.01Å; T223-D231 WeakPolarHBondContact CG2-OD2 3.46Å; T223-D231 VanDerWaalsContact OG1-CB 3.29Å; T223-D231 WeakPolarHBondContact OG1-CB 3.18Å; T223-D231 PolarHBondContact OG1-OD2 3.29Å
224	F	95.2	Very high	97.2	Very high	129 Å²	129	29.8 Å²	29.8	57%	0.566	17%	0.167	S	C	*	.	S	Bend	trans	-123.6	132.6	172.8	-176.9	-97.7	0	0	0	109.2	S154 P155	S154-F224 WeakPolarHBondContact OG-CE2 3.5Å; P155-F224 HydrophobicContact CB-CE1 4.28Å; P155-F224 HydrophobicContact CB-CE2 4.41Å; P155-F224 HydrophobicContact CB-CZ 3.66Å
225	P	95.7	Very high	97.2	Very high	50 Å²	50	29.3 Å²	29.3	33%	0.325	16%	0.164	S	C	.	.	S	Bend	cis	-58.8	152.1	-3.6	-24.1	35.7	0	0	0	114.1	S154 Q228	S154-P225 WeakPolarHBondContact OG-CA 3.45Å; S154-P225 WeakPolarHBondContact OG-CB 3.24Å; P225-Q228 PolarHBondContact O-NE2 3.05Å
226	C	95.7	Very high	97.2	Very high	20 Å²	20	29.4 Å²	29.4	14%	0.135	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	154.7	179.5	-55.4	0	0	0	0	112.1	I31 S154 C201 Q228	I31-C226 HydrophobicContact CD1-CB 4.11Å; I31-C226 HydrophobicContact CG1-CB 3.87Å; S154-C226 PolarHBondContact OG-N 3.37Å; C201-C226 WeakPolarHBondContact CA-SG 3.49Å; C201-C226 HydrophobicContact CB-CB 3.6Å; C201-C226 WeakPolarHBondContact CB-SG 3.08Å; C201-C226 WeakPolarHBondContact SG-CB 3.04Å; C201-C226 CovalentContact SG-SG 2.02Å; C201-C226 PolarHBondContact SG-SG 3.1Å; C226-Q228 VanDerWaalsContact C-N 3.34Å; C226-Q228 PolarHBondContact O-N 3.37Å
227	G	92.8	Very high	97.2	Very high	4 Å²	4	30.5 Å²	30.5	4%	0.041	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	70	28.3	173.9	0	0	0	0	0	114.1	K197 P229	K197-G227 WeakPolarHBondContact CA-O 3.39Å; K197-G227 WeakPolarHBondContact CB-O 3.18Å; K197-G227 VanDerWaalsContact CG-O 3.28Å; K197-G227 WeakPolarHBondContact CG-O 3.28Å; K197-G227 VanDerWaalsContact O-CA 3.25Å; K197-G227 WeakPolarHBondContact O-CA 3.25Å; G227-P229 WeakPolarHBondContact O-CD 3.44Å
228	Q	95.7	Very high	97.2	Very high	77 Å²	77	30.5 Å²	30.5	36%	0.36	17%	0.17	S	C	.	.			trans	-64.6	124.4	165.9	-75.7	178	84.7	0	0	109	T223 P225 C226 N230 D231	T223-Q228 PolarHBondContact OG1-NE2 2.64Å; P225-Q228 PolarHBondContact O-NE2 3.05Å; C226-Q228 VanDerWaalsContact C-N 3.34Å; C226-Q228 PolarHBondContact O-N 3.37Å; Q228-N230 PolarHBondContact O-N 3.02Å; Q228-D231 HydrophobicContact CB-CB 4.05Å; Q228-D231 WeakPolarHBondContact CB-OD2 3.45Å; Q228-D231 WeakPolarHBondContact O-CB 3.45Å; Q228-D231 PolarHBondContact O-N 2.86Å; Q228-D231 VanDerWaalsContact O-N 3.1Å
229	P	95.7	Very high	97.2	Very high	63 Å²	63	31.4 Å²	31.4	41%	0.409	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	135.3	178.9	-26.6	35.3	0	0	0	111.3	K197 G227 D231	K197-P229 HydrophobicContact CG-CG 4.29Å; G227-P229 WeakPolarHBondContact O-CD 3.44Å; P229-D231 PolarHBondContact O-N 2.9Å
230	N	96.3	Very high	97.2	Very high	79 Å²	79	36.4 Å²	36.4	42%	0.422	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	9.1	-177.8	-54.4	-51.5	0	0	0	116.4	D195 Q228 P232	D195-N230 PolarHBondContact N-OD1 3.5Å; D195-N230 PolarHBondContact OD1-ND2 3.49Å; Q228-N230 PolarHBondContact O-N 3.02Å; N230-P232 VanDerWaalsContact O-CD 3.32Å; N230-P232 WeakPolarHBondContact O-CD 3.4Å
231	D	97.4	Very high	97.2	Very high	36 Å²	36	36.7 Å²	36.7	19%	0.193	20%	0.198	C	C	.	.			trans	-97.9	102.2	165.8	-74.1	-5.9	0	0	0	109.9	N199 T223 Q228 P229	N199-D231 PolarHBondContact ND2-O 3.38Å; T223-D231 VanDerWaalsContact CB-OD2 3.31Å; T223-D231 WeakPolarHBondContact CB-OD2 3.18Å; T223-D231 HydrophobicContact CG2-CB 4.01Å; T223-D231 WeakPolarHBondContact CG2-OD2 3.46Å; T223-D231 VanDerWaalsContact OG1-CB 3.29Å; T223-D231 WeakPolarHBondContact OG1-CB 3.18Å; T223-D231 PolarHBondContact OG1-OD2 3.29Å; Q228-D231 HydrophobicContact CB-CB 4.05Å; Q228-D231 WeakPolarHBondContact CB-OD2 3.45Å; Q228-D231 WeakPolarHBondContact O-CB 3.45Å; Q228-D231 PolarHBondContact O-N 2.86Å; Q228-D231 VanDerWaalsContact O-N 3.1Å; P229-D231 PolarHBondContact O-N 2.9Å
232	P	97.9	Very high	97.2	Very high	8 Å²	8	35.8 Å²	35.8	5%	0.052	20%	0.199	C	C	.	.			trans	-65.5	147.9	-175.7	-23.6	36.6	0	0	0	112.7	I171 Y180 C190 N230	I171-P232 HydrophobicContact CD1-CB 3.82Å; I171-P232 HydrophobicContact CD1-CG 3.6Å; Y180-P232 HydrophobicContact CE2-CB 4.29Å; Y180-P232 HydrophobicContact CE2-CG 4.41Å; Y180-P232 WeakPolarHBondContact CE2-O 3.27Å; Y180-P232 PolarHBondContact OH-O 2.91Å; C190-P232 HydrophobicContact CB-CB 3.99Å; N230-P232 VanDerWaalsContact O-CD 3.32Å; N230-P232 WeakPolarHBondContact O-CD 3.4Å
233	G	98.1	Very high	97.3	Very high	3 Å²	3	41.1 Å²	41.1	3%	0.031	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	141.8	161.1	0	0	0	0	0	110.2	C190 A191 N199 Y235	C190-G233 WeakPolarHBondContact CA-O 3.34Å; A191-G233 PolarHBondContact N-O 3.49Å; A191-G233 PolarHBondContact O-N 2.02Å; N199-G233 PolarHBondContact ND2-N 2.68Å; N199-G233 WeakPolarHBondContact OD1-CA 3.19Å; N199-G233 PolarHBondContact OD1-N 3.25Å; G233-Y235 VanDerWaalsContact C-CE2 3.44Å; G233-Y235 WeakPolarHBondContact O-CD2 3.27Å; G233-Y235 VanDerWaalsContact O-CE2 3.26Å; G233-Y235 WeakPolarHBondContact O-CE2 3.19Å
234	V	98.6	Very high	97.5	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	132.7	176.8	-173.3	0	0	0	0	110.3	Y180 L184 M188 S220 W221	Y180-V234 HydrophobicContact CD2-CG2 3.85Å; Y180-V234 HydrophobicContact CE2-CG2 3.43Å; Y180-V234 VanDerWaalsContact CE2-CG2 3.43Å; L184-V234 HydrophobicContact CD2-CG1 4.1Å; L184-V234 HydrophobicContact CD2-CG2 4.26Å; M188-V234 HydrophobicContact CB-CG1 3.84Å; M188-V234 HydrophobicContact CG-CG1 4.12Å; M188-V234 HydrophobicContact SD-CG1 3.94Å; S220-V234 WeakPolarHBondContact CB-O 3.49Å; S220-V234 PolarHBondContact N-O 3Å; W221-V234 HydrophobicContact CD2-CB 3.73Å; W221-V234 HydrophobicContact CD2-CG1 4.2Å; W221-V234 HydrophobicContact CD2-CG2 3.94Å; W221-V234 HydrophobicContact CE3-CB 4.24Å; W221-V234 HydrophobicContact CE3-CG2 3.98Å; W221-V234 HydrophobicContact CG-CB 4.09Å; W221-V234 HydrophobicContact CH2-CB 4.42Å; W221-V234 HydrophobicContact CH2-CG2 3.71Å; W221-V234 HydrophobicContact CZ2-CB 3.95Å; W221-V234 HydrophobicContact CZ2-CG1 3.78Å; W221-V234 HydrophobicContact CZ2-CG2 3.68Å; W221-V234 HydrophobicContact CZ3-CG2 3.85Å; W221-V234 PolarHBondContact N-O 2.68Å; W221-V234 WeakPolarHBondContact O-CA 3.01Å; W221-V234 WeakPolarHBondContact O-CB 2.93Å; W221-V234 PolarHBondContact O-N 3.42Å; W221-V234 VanDerWaalsContact O-O 3.1Å
235	Y	98.9	Very high	97.6	Very high	2 Å²	2	35 Å²	35	1%	0.008	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	147.1	-171	-57.4	-102.9	0	0	0	110.2	V146 M188 L189 A191 L209 L218 V219 G233 Q237	V146-Y235 HydrophobicContact CB-CE1 4.37Å; V146-Y235 HydrophobicContact CG2-CE1 3.97Å; M188-Y235 CarbonylContact C-O 3.56Å; M188-Y235 WeakPolarHBondContact CA-O 3.33Å; L189-Y235 PolarHBondContact N-O 3.07Å; L189-Y235 WeakPolarHBondContact O-CD2 3.45Å; L189-Y235 PolarHBondContact O-N 3.47Å; A191-Y235 HydrophobicContact CB-CD2 4.23Å; A191-Y235 HydrophobicContact CB-CE2 3.72Å; L209-Y235 HydrophobicContact CB-CD1 3.69Å; L209-Y235 HydrophobicContact CB-CE1 3.79Å; L209-Y235 HydrophobicContact CB-CG 4.45Å; L209-Y235 HydrophobicContact CD1-CE1 4.11Å; L209-Y235 HydrophobicContact CD2-CD1 3.96Å; L209-Y235 HydrophobicContact CD2-CD2 4.07Å; L209-Y235 HydrophobicContact CD2-CE1 4.15Å; L209-Y235 HydrophobicContact CD2-CE2 4.29Å; L209-Y235 HydrophobicContact CD2-CG 3.93Å; L209-Y235 HydrophobicContact CG-CD1 4.32Å; L209-Y235 HydrophobicContact CG-CE1 4.24Å; L218-Y235 CarbonylContact O-C 3.54Å; L218-Y235 WeakPolarHBondContact O-CA 3.35Å; L218-Y235 VanDerWaalsContact O-CB 3.31Å; L218-Y235 WeakPolarHBondContact O-CB 3.35Å; V219-Y235 HydrophobicContact CB-CD1 4.45Å; V219-Y235 HydrophobicContact CB-CE1 4.42Å; V219-Y235 HydrophobicContact CG2-CD1 4.08Å; V219-Y235 HydrophobicContact CG2-CE1 3.68Å; G233-Y235 VanDerWaalsContact C-CE2 3.44Å; G233-Y235 WeakPolarHBondContact O-CD2 3.27Å; G233-Y235 VanDerWaalsContact O-CE2 3.26Å; G233-Y235 WeakPolarHBondContact O-CE2 3.19Å; Y235-Q237 PolarHBondContact O-N 3.17Å
236	T	98.9	Very high	97.8	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.018	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	120.7	167.5	-64	0	0	0	0	109.7	D112 L113 G217 L218 V238 F241	D112-T236 PolarHBondContact O-OG1 2.88Å; L113-T236 HydrophobicContact CB-CG2 4.09Å; L113-T236 HydrophobicContact CD2-CG2 4.17Å; L113-T236 HydrophobicContact CG-CG2 4.49Å; G217-T236 VanDerWaalsContact CA-O 3.29Å; G217-T236 WeakPolarHBondContact CA-O 3.47Å; L218-T236 PolarHBondContact N-O 2.95Å; L218-T236 PolarHBondContact O-N 3.28Å; T236-V238 PolarHBondContact O-N 3.17Å; T236-F241 HydrophobicContact CG2-CD2 3.96Å; T236-F241 HydrophobicContact CG2-CE2 3.57Å; T236-F241 HydrophobicContact CG2-CZ 4.34Å
237	Q	98.8	Very high	97.9	Very high	24 Å²	24	39.2 Å²	39.2	11%	0.112	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	94.1	-174.7	-164.4	-177.7	32.3	0	0	112	S187 L189 Y235 C239 K240 F241	S187-Q237 VanDerWaalsContact O-CB 3.22Å; S187-Q237 WeakPolarHBondContact O-CB 3.29Å; S187-Q237 PolarHBondContact O-N 3.36Å; L189-Q237 HydrophobicContact CB-CB 3.89Å; L189-Q237 HydrophobicContact CB-CG 4Å; L189-Q237 HydrophobicContact CD2-CG 4.41Å; Y235-Q237 PolarHBondContact O-N 3.17Å; Q237-C239 VanDerWaalsContact C-N 3.3Å; Q237-C239 VanDerWaalsContact CG-SG 3.59Å; Q237-C239 PolarHBondContact O-N 3.29Å; Q237-C239 VanDerWaalsContact O-N 3.16Å; Q237-K240 HydrophobicContact CB-CG 4.2Å; Q237-K240 HydrophobicContact CG-CG 4.2Å; Q237-K240 WeakPolarHBondContact O-CB 3.17Å; Q237-K240 PolarHBondContact O-N 2.86Å; Q237-F241 WeakPolarHBondContact O-CD2 3.04Å
238	V	98.9	Very high	98.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-60.5	-32.9	-167.6	175.8	0	0	0	0	113.8	L133 P134 L215 Q216 L218 T236 K240 F241 T242 I245	L133-V238 HydrophobicContact CD2-CG1 4.15Å; P134-V238 HydrophobicContact CG-CB 4.37Å; P134-V238 HydrophobicContact CG-CG1 3.98Å; L215-V238 HydrophobicContact CD2-CG1 4.14Å; L215-V238 HydrophobicContact CD2-CG2 4.1Å; L215-V238 HydrophobicContact CG-CB 4.5Å; L215-V238 HydrophobicContact CG-CG1 4.39Å; L215-V238 HydrophobicContact CG-CG2 4.05Å; Q216-V238 PolarHBondContact O-N 2.97Å; L218-V238 HydrophobicContact CD1-CG2 4.36Å; L218-V238 HydrophobicContact CG-CG2 3.86Å; T236-V238 PolarHBondContact O-N 3.17Å; V238-K240 PolarHBondContact O-N 2.97Å; V238-F241 PolarHBondContact O-N 2.89Å; V238-T242 PolarHBondContact O-N 3.22Å; V238-I245 HydrophobicContact CG1-CD1 4.07Å
239	C	98.7	Very high	98.3	Very high	19 Å²	19	36.9 Å²	36.9	13%	0.128	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-57.6	-22.9	177.6	65.2	0	0	0	0	113.3	P134 C137 Q237 F241	P134-C239 HydrophobicContact CB-CB 4.39Å; P134-C239 HydrophobicContact CG-CB 4.03Å; C137-C239 WeakPolarHBondContact CA-SG 3.32Å; C137-C239 HydrophobicContact CB-CB 3.95Å; C137-C239 WeakPolarHBondContact CB-SG 3.46Å; C137-C239 WeakPolarHBondContact SG-CB 3.31Å; C137-C239 CovalentContact SG-SG 2.03Å; C137-C239 PolarHBondContact SG-SG 3.46Å; Q237-C239 VanDerWaalsContact C-N 3.3Å; Q237-C239 VanDerWaalsContact CG-SG 3.59Å; Q237-C239 PolarHBondContact O-N 3.29Å; Q237-C239 VanDerWaalsContact O-N 3.16Å; C239-F241 VanDerWaalsContact C-N 3.33Å
240	K	98.7	Very high	98.4	Very high	111 Å²	111	41.5 Å²	41.5	48%	0.483	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-79.7	-11.7	176.9	-57	-65.1	-175.9	59.1	0	113.6	N186 Q237 V238	N186-K240 PolarHBondContact O-NZ 3.11Å; N186-K240 VanDerWaalsContact O-NZ 3.17Å; Q237-K240 HydrophobicContact CB-CG 4.2Å; Q237-K240 HydrophobicContact CG-CG 4.2Å; Q237-K240 WeakPolarHBondContact O-CB 3.17Å; Q237-K240 PolarHBondContact O-N 2.86Å; V238-K240 PolarHBondContact O-N 2.97Å
241	F	98.9	Very high	98.5	Very high	12 Å²	12	45.7 Å²	45.7	5%	0.053	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.4	2.8	-169.8	-62.1	-80.9	0	0	0	115.2	H101 N111 L113 T236 Q237 V238 C239 K243 W244 I245	H101-F241 AromaticContact CD2-CD1 3.77Å; H101-F241 AromaticContact CD2-CE1 3.92Å; H101-F241 AromaticContact NE2-CD1 3.8Å; H101-F241 AromaticContact NE2-CE1 3.79Å; N111-F241 HydrophobicContact CB-CE1 4.2Å; N111-F241 HydrophobicContact CB-CZ 4.22Å; N111-F241 WeakPolarHBondContact OD1-CE1 3.32Å; N111-F241 VanDerWaalsContact OD1-CZ 3.23Å; N111-F241 WeakPolarHBondContact OD1-CZ 3.44Å; L113-F241 HydrophobicContact CD1-CB 3.46Å; L113-F241 VanDerWaalsContact CD1-CB 3.46Å; L113-F241 HydrophobicContact CD1-CD1 3.87Å; L113-F241 HydrophobicContact CD1-CD2 3.93Å; L113-F241 HydrophobicContact CD1-CG 3.48Å; L113-F241 VanDerWaalsContact CD1-CG 3.48Å; L113-F241 HydrophobicContact CD2-CD1 3.81Å; L113-F241 HydrophobicContact CD2-CD2 4.35Å; L113-F241 HydrophobicContact CD2-CE1 3.76Å; L113-F241 HydrophobicContact CD2-CE2 4.31Å; L113-F241 HydrophobicContact CD2-CG 4.1Å; L113-F241 HydrophobicContact CD2-CZ 4.01Å; L113-F241 HydrophobicContact CG-CG 4.48Å; T236-F241 HydrophobicContact CG2-CD2 3.96Å; T236-F241 HydrophobicContact CG2-CE2 3.57Å; T236-F241 HydrophobicContact CG2-CZ 4.34Å; Q237-F241 WeakPolarHBondContact O-CD2 3.04Å; V238-F241 PolarHBondContact O-N 2.89Å; C239-F241 VanDerWaalsContact C-N 3.33Å; F241-K243 PolarHBondContact O-N 3.39Å; F241-K243 VanDerWaalsContact O-N 3.15Å; F241-W244 PolarHBondContact O-N 3.03Å; F241-I245 HydrophobicContact CB-CD1 4.38Å; F241-I245 WeakPolarHBondContact O-CG1 3.44Å; F241-I245 PolarHBondContact O-N 3.27Å
242	T	98.6	Very high	98.4	Very high	37 Å²	37	46.8 Å²	46.8	23%	0.227	22%	0.22	C	C	.	.	H	α-helix	trans	-57.4	-34	-176.2	57.8	0	0	0	0	113.3	P134 V238 N246	P134-T242 HydrophobicContact CG-CG2 4.01Å; P134-T242 WeakPolarHBondContact O-CG2 3.03Å; V238-T242 PolarHBondContact O-N 3.22Å; T242-N246 WeakPolarHBondContact O-CB 3.39Å; T242-N246 PolarHBondContact O-N 3.26Å; T242-N246 VanDerWaalsContact O-N 3.07Å; T242-N246 PolarHBondContact O-ND2 3.1Å
243	K	98.6	Very high	97.6	Very high	149 Å²	149	56.3 Å²	56.3	65%	0.648	26%	0.255	S	S	*	.	H	α-helix	trans	-61.6	-51.9	171.7	-175	178.9	-175.8	-60.8	0	111.8	F241 I245 N246 D247	F241-K243 PolarHBondContact O-N 3.39Å; F241-K243 VanDerWaalsContact O-N 3.15Å; K243-I245 VanDerWaalsContact C-N 3.32Å; K243-I245 PolarHBondContact O-N 3.2Å; K243-N246 PolarHBondContact O-N 3.14Å; K243-D247 WeakPolarHBondContact CG-OD2 3.32Å; K243-D247 IonicContact NZ-OD2 2.77Å; K243-D247 PolarHBondContact NZ-OD2 2.91Å; K243-D247 WeakPolarHBondContact O-CB 3.17Å; K243-D247 VanDerWaalsContact O-CG 3.3Å; K243-D247 PolarHBondContact O-N 2.82Å
244	W	98.7	Very high	97.6	Very high	37 Å²	37	59 Å²	59	14%	0.14	27%	0.266	C	S	.	.	H	α-helix	trans	-60	-41.8	178.5	173.1	85.4	0	0	0	112.1	L66 H101 L113 L115 F241 T248	L66-W244 HydrophobicContact CD1-CZ3 4.37Å; H101-W244 HydrophobicContact CB-CH2 4.37Å; H101-W244 HydrophobicContact CB-CZ2 4.03Å; H101-W244 AromaticContact CD2-CD1 3.56Å; H101-W244 AromaticContact CD2-CD2 3.53Å; H101-W244 AromaticContact CD2-CE2 3.66Å; H101-W244 AromaticContact CD2-CG 3.5Å; H101-W244 VanDerWaalsContact CD2-CG 3.5Å; H101-W244 AromaticContact CD2-NE1 3.66Å; H101-W244 AromaticContact NE2-CD1 3.89Å; H101-W244 AromaticContact NE2-CG 3.96Å; L113-W244 HydrophobicContact CD1-CE3 3.63Å; L113-W244 HydrophobicContact CD1-CZ3 3.54Å; L113-W244 HydrophobicContact CG-CE3 4.1Å; L113-W244 HydrophobicContact CG-CH2 4.22Å; L113-W244 HydrophobicContact CG-CZ3 3.66Å; L115-W244 HydrophobicContact CB-CH2 4.45Å; L115-W244 HydrophobicContact CD1-CH2 4.28Å; L115-W244 HydrophobicContact CD1-CZ3 4.2Å; L115-W244 HydrophobicContact CG-CH2 4.18Å; L115-W244 HydrophobicContact CG-CZ3 4.16Å; F241-W244 PolarHBondContact O-N 3.03Å; W244-T248 PolarHBondContact NE1-OG1 2.95Å; W244-T248 VanDerWaalsContact O-CB 3.23Å; W244-T248 WeakPolarHBondContact O-CB 3.4Å; W244-T248 PolarHBondContact O-N 3.49Å; W244-T248 PolarHBondContact O-OG1 3.35Å
245	I	98.8	Very high	97.5	Very high	0 Å²	0	62 Å²	62	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-57.7	-52.1	177.2	-67.3	166.9	0	0	0	109.8	V60 L66 L115 L133 V238 F241 K243 M249	V60-I245 HydrophobicContact CG1-CG2 4.42Å; L66-I245 HydrophobicContact CD1-CD1 4.41Å; L66-I245 HydrophobicContact CD1-CG1 4.34Å; L66-I245 HydrophobicContact CD2-CD1 3.78Å; L115-I245 HydrophobicContact CD1-CG2 4.48Å; L115-I245 HydrophobicContact CD2-CG2 4.5Å; L133-I245 HydrophobicContact CD1-CG2 3.88Å; L133-I245 HydrophobicContact CD2-CD1 4.24Å; V238-I245 HydrophobicContact CG1-CD1 4.07Å; F241-I245 HydrophobicContact CB-CD1 4.38Å; F241-I245 WeakPolarHBondContact O-CG1 3.44Å; F241-I245 PolarHBondContact O-N 3.27Å; K243-I245 VanDerWaalsContact C-N 3.32Å; K243-I245 PolarHBondContact O-N 3.2Å; I245-M249 HydrophobicContact CG2-CE 3.78Å; I245-M249 HydrophobicContact CG2-SD 4.44Å; I245-M249 WeakPolarHBondContact O-CG 3.38Å; I245-M249 PolarHBondContact O-N 2.78Å; I245-M249 VanDerWaalsContact O-N 3.12Å
246	N	98.5	Very high	97.4	Very high	84 Å²	84	65.3 Å²	65.3	45%	0.449	30%	0.295	S	S	.	.	H	α-helix	trans	-65.4	-46	-179	-75.9	-50	0	0	0	112.9	T242 K243 T248 M249 K250	T242-N246 WeakPolarHBondContact O-CB 3.39Å; T242-N246 PolarHBondContact O-N 3.26Å; T242-N246 VanDerWaalsContact O-N 3.07Å; T242-N246 PolarHBondContact O-ND2 3.1Å; K243-N246 PolarHBondContact O-N 3.14Å; N246-T248 VanDerWaalsContact C-N 3.34Å; N246-T248 PolarHBondContact O-N 2.96Å; N246-M249 PolarHBondContact O-N 3.4Å; N246-K250 WeakPolarHBondContact O-CB 3.38Å; N246-K250 PolarHBondContact O-N 3.35Å
247	D	98.7	Very high	97.3	Very high	74 Å²	74	69 Å²	69	40%	0.396	31%	0.311	S	S	.	.	H	α-helix	trans	-62.7	-41.6	-179.3	-72.5	-16.2	0	0	0	111.3	K243 K250 K251	K243-D247 WeakPolarHBondContact CG-OD2 3.32Å; K243-D247 IonicContact NZ-OD2 2.77Å; K243-D247 PolarHBondContact NZ-OD2 2.91Å; K243-D247 WeakPolarHBondContact O-CB 3.17Å; K243-D247 VanDerWaalsContact O-CG 3.3Å; K243-D247 PolarHBondContact O-N 2.82Å; D247-K250 PolarHBondContact O-N 3.05Å; D247-K251 WeakPolarHBondContact O-CB 3.47Å; D247-K251 PolarHBondContact O-N 3.31Å
248	T	98.7	Very high	97.3	Very high	17 Å²	17	71.8 Å²	71.8	10%	0.104	32%	0.324	C	S	.	.	H	α-helix	trans	-66	-45.8	178.7	-58.6	0	0	0	0	111.5	F99 L115 W244 N246 K250 K251 H252	F99-T248 HydrophobicContact CB-CG2 4.11Å; F99-T248 HydrophobicContact CG-CG2 4.39Å; L115-T248 HydrophobicContact CD1-CG2 3.69Å; W244-T248 PolarHBondContact NE1-OG1 2.95Å; W244-T248 VanDerWaalsContact O-CB 3.23Å; W244-T248 WeakPolarHBondContact O-CB 3.4Å; W244-T248 PolarHBondContact O-N 3.49Å; W244-T248 PolarHBondContact O-OG1 3.35Å; N246-T248 VanDerWaalsContact C-N 3.34Å; N246-T248 PolarHBondContact O-N 2.96Å; T248-K250 VanDerWaalsContact C-N 3.3Å; T248-K250 PolarHBondContact O-N 2.98Å; T248-K251 PolarHBondContact O-N 2.82Å; T248-H252 PolarHBondContact O-CD2 2.72Å; T248-H252 PolarHBondContact O-N 2.77Å; T248-H252 VanDerWaalsContact O-N 3.11Å
249	M	98.3	Very high	97.1	Very high	16 Å²	16	76.6 Å²	76.6	8%	0.079	35%	0.346	C	S	.	.	H	α-helix	trans	-62.2	-37.8	176.2	-70.2	-172.6	-59.9	0	0	112.1	V60 N61 W64 L115 I245 N246 R253	V60-M249 HydrophobicContact CB-SD 4.49Å; V60-M249 HydrophobicContact CG1-CE 4.01Å; V60-M249 HydrophobicContact CG1-SD 3.89Å; N61-M249 PolarHBondContact ND2-SD 2.7Å; W64-M249 HydrophobicContact CB-CG 4.26Å; W64-M249 HydrophobicContact CB-SD 3.8Å; W64-M249 HydrophobicContact CD2-CG 3.8Å; W64-M249 HydrophobicContact CD2-SD 4.49Å; W64-M249 HydrophobicContact CE3-CG 4.42Å; W64-M249 HydrophobicContact CG-CG 3.71Å; W64-M249 HydrophobicContact CG-SD 3.8Å; L115-M249 HydrophobicContact CD1-CG 3.87Å; L115-M249 HydrophobicContact CD2-CG 4.33Å; I245-M249 HydrophobicContact CG2-CE 3.78Å; I245-M249 HydrophobicContact CG2-SD 4.44Å; I245-M249 WeakPolarHBondContact O-CG 3.38Å; I245-M249 PolarHBondContact O-N 2.78Å; I245-M249 VanDerWaalsContact O-N 3.12Å; N246-M249 PolarHBondContact O-N 3.4Å; M249-R253 VanDerWaalsContact O-CG 3.25Å; M249-R253 WeakPolarHBondContact O-CG 3.33Å; M249-R253 PolarHBondContact O-N 2.67Å
250	K	98	Very high	97	Very high	160 Å²	160	80.7 Å²	80.7	70%	0.696	36%	0.361	S	S	*	.	H	α-helix	trans	-66.9	-44.1	176.6	-174.3	179.5	179	-177.9	0	111.6	N246 D247 T248 H252	N246-K250 WeakPolarHBondContact O-CB 3.38Å; N246-K250 PolarHBondContact O-N 3.35Å; D247-K250 PolarHBondContact O-N 3.05Å; T248-K250 VanDerWaalsContact C-N 3.3Å; T248-K250 PolarHBondContact O-N 2.98Å; K250-H252 VanDerWaalsContact C-N 3.31Å; K250-H252 PolarHBondContact O-N 3.12Å
251	K	97.9	Very high	96.9	Very high	167 Å²	167	78.4 Å²	78.4	73%	0.726	35%	0.352	S	S	*	.	H	α-helix	trans	-64.2	-32.8	-179.8	-178.5	178	175.6	179.5	0	113.1	D247 T248	D247-K251 WeakPolarHBondContact O-CB 3.47Å; D247-K251 PolarHBondContact O-N 3.31Å; T248-K251 PolarHBondContact O-N 2.82Å
252	H	95.9	Very high	96.7	Very high	59 Å²	59	83.9 Å²	83.9	27%	0.273	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	30.1	-170.7	-66.7	-75	0	0	0	114.2	W64 F99 K117 T248 K250	W64-H252 HydrophobicContact CH2-CB 3.74Å; W64-H252 HydrophobicContact CZ2-CB 3.85Å; W64-H252 WeakPolarHBondContact CZ2-O 3.4Å; F99-H252 AromaticContact CD1-CD2 3.98Å; F99-H252 AromaticContact CD1-NE2 3.88Å; F99-H252 HydrophobicContact CE1-CB 4.38Å; F99-H252 AromaticContact CE1-CD2 3.81Å; F99-H252 AromaticContact CE1-CE1 3.53Å; F99-H252 AromaticContact CE1-CG 3.66Å; F99-H252 AromaticContact CE1-ND1 3.48Å; F99-H252 WeakPolarHBondContact CE1-ND1 3.46Å; F99-H252 AromaticContact CE1-NE2 3.75Å; F99-H252 HydrophobicContact CE2-CB 4.42Å; F99-H252 HydrophobicContact CZ-CB 4Å; F99-H252 AromaticContact CZ-CG 3.78Å; F99-H252 AromaticContact CZ-ND1 3.81Å; K117-H252 VanDerWaalsContact CE-O 3.3Å; K117-H252 WeakPolarHBondContact CE-O 3.48Å; K117-H252 PolarHBondContact NZ-O 2.84Å; T248-H252 PolarHBondContact O-CD2 2.72Å; T248-H252 PolarHBondContact O-N 2.77Å; T248-H252 VanDerWaalsContact O-N 3.11Å; K250-H252 VanDerWaalsContact C-N 3.31Å; K250-H252 PolarHBondContact O-N 3.12Å
253	R	80.3	Confident	96.6	Very high	207 Å²	207	88.2 Å²	88.2	78%	0.781	39%	0.39	S	S	*	.			trans	-53.5	0	-176.3	-82.3	-168.6	172	-177.6	-2	115.4	R63 K117 M249	R63-R253 PolarHBondContact NH2-OXT 3.38Å; K117-R253 WeakPolarHBondContact CE-OXT 3.38Å; K117-R253 PolarHBondContact NZ-O 3.44Å; K117-R253 PolarHBondContact NZ-OXT 3.39Å; M249-R253 VanDerWaalsContact O-CG 3.25Å; M249-R253 WeakPolarHBondContact O-CG 3.33Å; M249-R253 PolarHBondContact O-N 2.67Å

Retrieved 253 of 253 residues in 599.9 ms (Link to these results)

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