A0A024R4H6_HUMAN Loading...

Kallikrein D

AlphaFold DB (P49862), UniProt , Accession A0A024R4H6, Species HUMAN (Homo sapiens, Human), Gene KLND, 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 44.3 ms (Link to these results)

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