A0A077ZE31_TRITR Loading...

ADP-ribose pyrophosphatase, mitochondrial

AlphaFold DB , UniProt , Accession A0A077ZE31, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 268 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	37.4	Very low	36.2	Very low	240 Å²	240	163.9 Å²	163.9	100%	1.182	83%	0.834	S	S	*	*				0	108.5	0	-86.3	166.1	77.9	0	0	109.7
2	K	38.9	Very low	35.8	Very low	208 Å²	208	158.7 Å²	158.7	90%	0.904	82%	0.824	S	S	*	*			trans	158.4	88.1	143	-90.1	-176.9	178.7	-177.8	0	107
3	K	36.6	Very low	35.4	Very low	176 Å²	176	161.1 Å²	161.1	77%	0.765	83%	0.828	S	S	*	*			trans	-69.2	125	158.5	-76.1	-178.7	170.5	-169.7	0	106.3
4	N	39.8	Very low	35	Very low	167 Å²	167	159 Å²	159	89%	0.893	83%	0.827	S	S	*	*			trans	-126.3	96.2	158	-96.8	1.8	0	0	0	106
5	E	38.6	Very low	34.8	Very low	154 Å²	154	155 Å²	155	72%	0.72	82%	0.818	S	S	*	*			trans	-90	149.1	170.1	-79.8	168.6	166.7	0	0	109.4
6	S	37.3	Very low	34.7	Very low	110 Å²	110	152 Å²	152	77%	0.769	81%	0.814	S	S	*	*			trans	69.1	102.3	157	68	0	0	0	0	118.7
7	Q	39	Very low	34.8	Very low	199 Å²	199	152.8 Å²	152.8	93%	0.93	81%	0.811	S	S	*	*				-142.6	98.5	124.9	-69.9	-164.2	-3.8	0	0	108.5
8	S	37.7	Very low	34.9	Very low	112 Å²	112	151.3 Å²	151.3	78%	0.783	80%	0.804	S	S	*	*			trans	-86.9	98.4	166.6	169.1	0	0	0	0	107.3	T10	S8-T10 PolarHBondContact O-N 3.12Å
9	S	34.6	Very low	35.2	Very low	86 Å²	86	149.2 Å²	149.2	60%	0.601	80%	0.797	S	S	*	*			trans	-78.1	101.8	171.6	58.5	0	0	0	0	109.3	W11	S9-W11 PolarHBondContact O-N 3.28Å; S9-W11 VanDerWaalsContact O-N 3.12Å; S9-W11 PolarHBondContact OG-NE1 3.14Å
10	T	29.9	Very low	35.6	Very low	127 Å²	127	147 Å²	147	78%	0.779	79%	0.79	S	S	*	*			trans	-70.6	99.5	168.5	-44.1	0	0	0	0	108	S8 S12	S8-T10 PolarHBondContact O-N 3.12Å; T10-S12 PolarHBondContact O-N 3.48Å
11	W	28.1	Very low	36.2	Very low	224 Å²	224	147.6 Å²	147.6	85%	0.848	79%	0.789	S	S	*	*			trans	-72.9	106.9	167.9	-73	83.7	0	0	0	107.6	S9 E13	S9-W11 PolarHBondContact O-N 3.28Å; S9-W11 VanDerWaalsContact O-N 3.12Å; S9-W11 PolarHBondContact OG-NE1 3.14Å; W11-E13 PolarHBondContact O-N 3.2Å; W11-E13 VanDerWaalsContact O-N 3.14Å
12	S	31.3	Very low	37.1	Very low	101 Å²	101	145.6 Å²	145.6	71%	0.706	77%	0.774	S	S	*	*			trans	-60.5	111.4	167.2	49	0	0	0	0	108.4	T10 T14	T10-S12 PolarHBondContact O-N 3.48Å; S12-T14 PolarHBondContact O-N 2.95Å
13	E	31.4	Very low	38	Very low	190 Å²	190	146 Å²	146	89%	0.888	77%	0.77	S	S	*	*			trans	-53.4	104.5	166	-76.2	174.3	156.2	0	0	108.3	W11 S15	W11-E13 PolarHBondContact O-N 3.2Å; W11-E13 VanDerWaalsContact O-N 3.14Å; E13-S15 VanDerWaalsContact C-N 3.31Å; E13-S15 PolarHBondContact O-N 2.93Å
14	T	30.2	Very low	39.2	Very low	132 Å²	132	140.4 Å²	140.4	81%	0.81	75%	0.748	S	S	*	*			trans	-59.6	102.6	159.5	42.4	0	0	0	0	106.2	S12 S16	S12-T14 PolarHBondContact O-N 2.95Å; T14-S16 PolarHBondContact O-N 2.88Å
15	S	31	Very low	40.7	Very low	99 Å²	99	141.9 Å²	141.9	69%	0.692	74%	0.741	S	S	*	*			trans	-53.8	104.9	167.7	56.9	0	0	0	0	107.1	E13 E17	E13-S15 VanDerWaalsContact C-N 3.31Å; E13-S15 PolarHBondContact O-N 2.93Å; S15-E17 VanDerWaalsContact C-N 3.3Å; S15-E17 PolarHBondContact O-N 2.73Å
16	S	33.2	Very low	42.8	Very low	107 Å²	107	135 Å²	135	75%	0.748	71%	0.71	S	S	*	*			trans	-56.2	103	163.3	51.1	0	0	0	0	106.1	T14 D18	T14-S16 PolarHBondContact O-N 2.88Å; S16-D18 PolarHBondContact O-N 2.88Å
17	E	35.9	Very low	45	Very low	165 Å²	165	134.1 Å²	134.1	77%	0.771	69%	0.69	S	S	*	*			trans	-63.7	76.6	164.9	-72.3	-178.2	154	0	0	107.4	S15 T19	S15-E17 VanDerWaalsContact C-N 3.3Å; S15-E17 PolarHBondContact O-N 2.73Å; E17-T19 PolarHBondContact O-N 3.43Å; E17-T19 PolarHBondContact O-OG1 2.78Å
18	D	37.1	Very low	47.4	Very low	127 Å²	127	124.6 Å²	124.6	68%	0.679	65%	0.646	S	S	*	*			trans	-68.7	73.6	157.8	-167.9	12.5	0	0	0	106	S16 T20	S16-D18 PolarHBondContact O-N 2.88Å; D18-T20 PolarHBondContact O-N 2.74Å; D18-T20 PolarHBondContact O-OG1 3.42Å
19	T	40.8	Very low	49.9	Very low	110 Å²	110	119.5 Å²	119.5	68%	0.675	61%	0.61	S	S	*	*			trans	-64.1	77.7	163.4	34.7	0	0	0	0	105.9	E17 M21	E17-T19 PolarHBondContact O-N 3.43Å; E17-T19 PolarHBondContact O-OG1 2.78Å; T19-M21 PolarHBondContact O-N 2.76Å
20	T	44	Very low	52.5	Low	106 Å²	106	115.7 Å²	115.7	65%	0.65	59%	0.585	S	S	*	*			trans	-50.8	94.3	161.2	23.2	0	0	0	0	106	D18 K22	D18-T20 PolarHBondContact O-N 2.74Å; D18-T20 PolarHBondContact O-OG1 3.42Å; T20-K22 PolarHBondContact O-N 2.7Å
21	M	47.1	Very low	55.5	Low	159 Å²	159	110.9 Å²	110.9	78%	0.783	55%	0.554	S	S	*	*			trans	-45.1	101.6	177.8	-85.1	-86.9	-81.7	0	0	107	T19 R23	T19-M21 PolarHBondContact O-N 2.76Å; M21-R23 VanDerWaalsContact C-N 3.34Å; M21-R23 PolarHBondContact O-N 2.76Å
22	K	56	Low	58.4	Low	198 Å²	198	101 Å²	101	86%	0.861	52%	0.521	S	S	*	.			trans	-57.7	102.4	-179.7	-82.9	178.7	179.2	167.2	0	106	T20 L24	T20-K22 PolarHBondContact O-N 2.7Å; K22-L24 PolarHBondContact O-N 2.95Å
23	R	57.6	Low	61.1	Low	218 Å²	218	102 Å²	102	82%	0.823	51%	0.513	S	S	*	.			trans	-47.5	115	178	-82	-178.1	174.1	175.1	-0.8	108.2	M21 R25	M21-R23 VanDerWaalsContact C-N 3.34Å; M21-R23 PolarHBondContact O-N 2.76Å; R23-R25 PolarHBondContact O-N 3Å
24	L	62.6	Low	63.7	Low	57 Å²	57	93 Å²	93	30%	0.298	47%	0.47	S	S	.	.			trans	-60.5	115.5	176.3	-71.1	162.7	0	0	0	107.7	K22 C26 I34 E37	K22-L24 PolarHBondContact O-N 2.95Å; L24-C26 HydrophobicContact CB-CB 4.43Å; L24-C26 PolarHBondContact O-N 3.05Å; L24-I34 HydrophobicContact CD1-CG2 4.48Å; L24-E37 HydrophobicContact CD1-CB 3.87Å; L24-E37 WeakPolarHBondContact CD1-OE2 3.37Å; L24-E37 WeakPolarHBondContact CD2-OE2 3.38Å
25	R	71.8	Confident	66.4	Low	199 Å²	199	93.5 Å²	93.5	75%	0.751	46%	0.464	S	S	*	.			trans	-83.1	55.1	171.6	-65.8	-174.2	-174.9	177.3	2.3	109.6	R23 Y54	R23-R25 PolarHBondContact O-N 3Å; R25-Y54 HydrophobicContact CB-CD2 4.26Å; R25-Y54 HydrophobicContact CB-CE2 4.26Å; R25-Y54 VanDerWaalsContact O-CD2 3.26Å; R25-Y54 WeakPolarHBondContact O-CD2 3.26Å
26	C	81.5	Confident	69.1	Low	8 Å²	8	91.1 Å²	91.1	5%	0.054	44%	0.443	C	S	.	.	B	Isolated β-bridge	trans	-109.2	137.9	-179.3	168.3	0	0	0	0	110.1	L24 I34 C51	L24-C26 HydrophobicContact CB-CB 4.43Å; L24-C26 PolarHBondContact O-N 3.05Å; C26-I34 HydrophobicContact CB-CB 4.02Å; C26-I34 HydrophobicContact CB-CG1 4.29Å; C26-I34 HydrophobicContact CB-CG2 4.5Å; C26-I34 PolarHBondContact O-N 3.05Å; C26-I34 VanDerWaalsContact O-N 3.1Å; C26-I34 VanDerWaalsContact SG-CG1 3.51Å; C26-C51 HydrophobicContact CB-CB 4.33Å; C26-C51 WeakPolarHBondContact CB-SG 3.48Å; C26-C51 WeakPolarHBondContact SG-CB 3.48Å; C26-C51 CovalentContact SG-SG 2Å; C26-C51 PolarHBondContact SG-SG 3.24Å
27	Y	85.2	Confident	71.7	Confident	92 Å²	92	89.5 Å²	89.5	36%	0.361	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	127.4	170.2	179	-82.4	0	0	0	108.4	G32 Y54	Y27-G32 WeakPolarHBondContact CA-O 3.46Å; Y27-G32 VanDerWaalsContact CD2-C 3.43Å; Y27-G32 WeakPolarHBondContact CD2-O 3.45Å; Y27-Y54 HydrophobicContact CD2-CD1 4.28Å; Y27-Y54 AromaticContact CD2-CE1 3.72Å; Y27-Y54 HydrophobicContact CD2-CE1 3.72Å; Y27-Y54 AromaticContact CG-CD1 3.93Å; Y27-Y54 HydrophobicContact CG-CD1 3.93Å; Y27-Y54 AromaticContact CG-CE1 3.79Å; Y27-Y54 HydrophobicContact CG-CE1 3.79Å
28	V	89.4	Confident	74.2	Confident	0 Å²	0	85.3 Å²	85.3	0%	0	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	124.7	-179.3	177.6	0	0	0	0	107.9	G30 I31 G32 I34 L40 C51 T118	V28-G30 PolarHBondContact O-N 3.2Å; V28-I31 HydrophobicContact CB-CB 4.17Å; V28-I31 HydrophobicContact CB-CD1 4.19Å; V28-I31 HydrophobicContact CB-CG1 4.36Å; V28-I31 HydrophobicContact CG1-CB 4.3Å; V28-I31 HydrophobicContact CG1-CD1 3.73Å; V28-I31 HydrophobicContact CG1-CG1 3.97Å; V28-I31 PolarHBondContact O-N 2.74Å; V28-I31 VanDerWaalsContact O-N 3.11Å; V28-G32 PolarHBondContact N-O 3.47Å; V28-G32 PolarHBondContact O-N 2.78Å; V28-I34 HydrophobicContact CB-CD1 4.33Å; V28-I34 HydrophobicContact CB-CG1 4.43Å; V28-I34 HydrophobicContact CG2-CD1 4.05Å; V28-I34 HydrophobicContact CG2-CG1 3.8Å; V28-L40 HydrophobicContact CG2-CD2 4.12Å; V28-C51 HydrophobicContact CG2-CB 4.23Å; V28-T118 VanDerWaalsContact CG1-C 3.49Å; V28-T118 WeakPolarHBondContact CG1-O 3.1Å
29	S	88.8	Confident	76.8	Confident	4 Å²	4	80.7 Å²	80.7	3%	0.028	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	139.5	179	-35.6	0	0	0	0	108.9	I31 A115 R117 T118	S29-I31 PolarHBondContact O-N 3.5Å; S29-A115 VanDerWaalsContact CB-O 3.25Å; S29-A115 WeakPolarHBondContact CB-O 3.07Å; S29-R117 WeakPolarHBondContact CB-O 3.48Å; S29-R117 PolarHBondContact N-O 2.76Å; S29-R117 PolarHBondContact OG-O 2.97Å; S29-T118 WeakPolarHBondContact O-CA 3.06Å; S29-T118 WeakPolarHBondContact O-CG2 3.2Å
30	G	90.5	Very high	79.2	Confident	7 Å²	7	75.6 Å²	75.6	7%	0.072	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	-7.1	-176.3	0	0	0	0	0	116.1	V28 Y220 P222 S223 N226	V28-G30 PolarHBondContact O-N 3.2Å; G30-Y220 WeakPolarHBondContact CA-OH 3.43Å; G30-P222 VanDerWaalsContact O-CA 3.24Å; G30-P222 WeakPolarHBondContact O-CA 3.32Å; G30-S223 PolarHBondContact O-N 3.22Å; G30-N226 PolarHBondContact O-ND2 3.29Å
31	I	91.2	Very high	81.7	Confident	26 Å²	26	73.8 Å²	73.8	13%	0.133	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.1	-52	171.8	-56.8	-177.9	0	0	0	110.3	V28 S29 I34 R49 P222 S223 R224	V28-I31 HydrophobicContact CB-CB 4.17Å; V28-I31 HydrophobicContact CB-CD1 4.19Å; V28-I31 HydrophobicContact CB-CG1 4.36Å; V28-I31 HydrophobicContact CG1-CB 4.3Å; V28-I31 HydrophobicContact CG1-CD1 3.73Å; V28-I31 HydrophobicContact CG1-CG1 3.97Å; V28-I31 PolarHBondContact O-N 2.74Å; V28-I31 VanDerWaalsContact O-N 3.11Å; S29-I31 PolarHBondContact O-N 3.5Å; I31-I34 HydrophobicContact CG2-CD1 4.02Å; I31-R49 VanDerWaalsContact CD1-NE 3.35Å; I31-P222 VanDerWaalsContact O-CB 3.3Å; I31-P222 WeakPolarHBondContact O-CB 3.47Å; I31-S223 WeakPolarHBondContact CG1-O 3.39Å; I31-R224 HydrophobicContact CG2-CG 4.21Å
32	G	89.5	Confident	84	Confident	15 Å²	15	66.2 Å²	66.2	16%	0.155	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	118	-152.5	-174.3	0	0	0	0	0	112.2	Y27 V28	Y27-G32 WeakPolarHBondContact CA-O 3.46Å; Y27-G32 VanDerWaalsContact CD2-C 3.43Å; Y27-G32 WeakPolarHBondContact CD2-O 3.45Å; V28-G32 PolarHBondContact N-O 3.47Å; V28-G32 PolarHBondContact O-N 2.78Å
33	K	87.9	Confident	85.8	Confident	122 Å²	122	58.6 Å²	58.6	53%	0.53	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	132.9	176.8	178.7	173.7	-179.5	-167.3	0	109.6	Y54	K33-Y54 WeakPolarHBondContact CG-OH 3.03Å
34	I	87.2	Confident	87.5	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.005	28%	0.278	C	S	.	.			trans	-91.8	123.6	174.3	-59.8	-53.7	0	0	0	108	L24 C26 V28 I31 D36 Q39 L40	L24-I34 HydrophobicContact CD1-CG2 4.48Å; C26-I34 HydrophobicContact CB-CB 4.02Å; C26-I34 HydrophobicContact CB-CG1 4.29Å; C26-I34 HydrophobicContact CB-CG2 4.5Å; C26-I34 PolarHBondContact O-N 3.05Å; C26-I34 VanDerWaalsContact O-N 3.1Å; C26-I34 VanDerWaalsContact SG-CG1 3.51Å; V28-I34 HydrophobicContact CB-CD1 4.33Å; V28-I34 HydrophobicContact CB-CG1 4.43Å; V28-I34 HydrophobicContact CG2-CD1 4.05Å; V28-I34 HydrophobicContact CG2-CG1 3.8Å; I31-I34 HydrophobicContact CG2-CD1 4.02Å; I34-D36 VanDerWaalsContact CG2-O 3.27Å; I34-D36 WeakPolarHBondContact CG2-O 3.32Å; I34-Q39 HydrophobicContact CD1-CB 4.21Å; I34-Q39 HydrophobicContact CG2-CB 4.17Å; I34-L40 HydrophobicContact CD1-CD2 4.44Å; I34-L40 HydrophobicContact CG1-CD2 3.97Å; I34-L40 HydrophobicContact CG2-CD2 4.04Å; I34-L40 HydrophobicContact CG2-CG 3.99Å
35	E	86.6	Confident	89.1	Confident	143 Å²	143	51.2 Å²	51.2	67%	0.668	27%	0.272	S	S	*	.			trans	-95.3	-34.7	-176	-61.9	-173.6	155.9	0	0	112
36	D	87	Confident	90.3	Very high	49 Å²	49	49 Å²	49	26%	0.262	28%	0.276	S	S	.	.	S	Bend	trans	-141.1	157.5	-178.6	70.5	81.3	0	0	0	111.1	I34 S38 Q39	I34-D36 VanDerWaalsContact CG2-O 3.27Å; I34-D36 WeakPolarHBondContact CG2-O 3.32Å; D36-S38 PolarHBondContact O-N 3.04Å; D36-S38 WeakPolarHBondContact OD1-CA 3.49Å; D36-S38 WeakPolarHBondContact OD1-CB 3.28Å; D36-S38 PolarHBondContact OD1-N 3.35Å; D36-S38 PolarHBondContact OD1-OG 3Å; D36-Q39 WeakPolarHBondContact O-CB 3.34Å; D36-Q39 PolarHBondContact O-N 3.41Å; D36-Q39 PolarHBondContact OD1-N 2.81Å; D36-Q39 VanDerWaalsContact OD2-CG 3.28Å; D36-Q39 WeakPolarHBondContact OD2-CG 3.18Å; D36-Q39 PolarHBondContact OD2-NE2 3.46Å
37	E	88	Confident	91	Very high	74 Å²	74	50.8 Å²	50.8	35%	0.346	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-63.3	-29	-175	-169.9	71.1	-160.8	0	0	112	L24 Q39 L40 F41 R48	L24-E37 HydrophobicContact CD1-CB 3.87Å; L24-E37 WeakPolarHBondContact CD1-OE2 3.37Å; L24-E37 WeakPolarHBondContact CD2-OE2 3.38Å; E37-Q39 PolarHBondContact O-N 2.73Å; E37-L40 WeakPolarHBondContact O-CB 3.39Å; E37-L40 PolarHBondContact O-N 3.38Å; E37-F41 HydrophobicContact CG-CE2 4.5Å; E37-R48 IonicContact OE1-CZ 3.96Å; E37-R48 IonicContact OE1-NE 2.7Å; E37-R48 PolarHBondContact OE1-NE 3.3Å; E37-R48 IonicContact OE1-NH2 3.19Å; E37-R48 PolarHBondContact OE1-NH2 2.95Å; E37-R48 IonicContact OE2-NH2 3.26Å
38	S	89.1	Confident	91.4	Very high	76 Å²	76	51.3 Å²	51.3	53%	0.531	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-64.6	-26.6	-179.5	84.5	0	0	0	0	112.2	D36 L40 F41	D36-S38 PolarHBondContact O-N 3.04Å; D36-S38 WeakPolarHBondContact OD1-CA 3.49Å; D36-S38 WeakPolarHBondContact OD1-CB 3.28Å; D36-S38 PolarHBondContact OD1-N 3.35Å; D36-S38 PolarHBondContact OD1-OG 3Å; S38-L40 PolarHBondContact O-N 2.7Å; S38-F41 PolarHBondContact O-N 2Å
39	Q	90.5	Very high	91.6	Very high	31 Å²	31	51.3 Å²	51.3	15%	0.145	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-70.8	-13.5	176.2	-64.7	176.1	-2.8	0	0	113.8	I34 D36 E37 F41	I34-Q39 HydrophobicContact CD1-CB 4.21Å; I34-Q39 HydrophobicContact CG2-CB 4.17Å; D36-Q39 WeakPolarHBondContact O-CB 3.34Å; D36-Q39 PolarHBondContact O-N 3.41Å; D36-Q39 PolarHBondContact OD1-N 2.81Å; D36-Q39 VanDerWaalsContact OD2-CG 3.28Å; D36-Q39 WeakPolarHBondContact OD2-CG 3.18Å; D36-Q39 PolarHBondContact OD2-NE2 3.46Å; E37-Q39 PolarHBondContact O-N 2.73Å; Q39-F41 VanDerWaalsContact C-N 3.31Å
40	L	92.4	Very high	91.7	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.01	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-77.9	-18	174.1	-68.4	176.5	0	0	0	112.9	V28 I34 E37 S38 R48 R49 C51	V28-L40 HydrophobicContact CG2-CD2 4.12Å; I34-L40 HydrophobicContact CD1-CD2 4.44Å; I34-L40 HydrophobicContact CG1-CD2 3.97Å; I34-L40 HydrophobicContact CG2-CD2 4.04Å; I34-L40 HydrophobicContact CG2-CG 3.99Å; E37-L40 WeakPolarHBondContact O-CB 3.39Å; E37-L40 PolarHBondContact O-N 3.38Å; S38-L40 PolarHBondContact O-N 2.7Å; L40-R48 HydrophobicContact CB-CG 4.18Å; L40-R49 VanDerWaalsContact O-CB 3.26Å; L40-R49 WeakPolarHBondContact O-CB 3.47Å; L40-R49 WeakPolarHBondContact O-CD 3.48Å; L40-R49 WeakPolarHBondContact O-CG 3.27Å; L40-R49 PolarHBondContact O-N 2.82Å; L40-C51 HydrophobicContact CD2-CB 3.7Å
41	F	95.1	Very high	91.2	Very high	68 Å²	68	54 Å²	54	30%	0.298	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-82.6	139	177.4	-65.2	-91	0	0	0	110.5	E37 S38 Q39 I47 R48	E37-F41 HydrophobicContact CG-CE2 4.5Å; S38-F41 PolarHBondContact O-N 2Å; Q39-F41 VanDerWaalsContact C-N 3.31Å; F41-I47 CarbonylContact C-O 3.57Å; F41-I47 WeakPolarHBondContact CA-O 3.18Å; F41-R48 HydrophobicContact CD1-CB 3.94Å; F41-R48 HydrophobicContact CD1-CG 4.4Å; F41-R48 HydrophobicContact CE1-CB 3.7Å; F41-R48 HydrophobicContact CE1-CG 4.09Å; F41-R48 HydrophobicContact CE2-CG 4.46Å; F41-R48 HydrophobicContact CZ-CB 4.23Å; F41-R48 HydrophobicContact CZ-CG 4.12Å
42	Y	96.5	Very high	90.1	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-63	130	170.4	-161.5	-82.6	0	0	0	108.6	G44 T45 I47 R49 Y68 I120 D125 L225 T227	Y42-G44 PolarHBondContact O-N 2.78Å; Y42-T45 WeakPolarHBondContact CB-OG1 3.26Å; Y42-T45 HydrophobicContact CD1-CG2 4.27Å; Y42-T45 PolarHBondContact O-N 3.26Å; Y42-T45 PolarHBondContact O-OG1 3.1Å; Y42-I47 PolarHBondContact N-O 3.01Å; Y42-R49 VanDerWaalsContact CD2-NH2 3.32Å; Y42-Y68 AromaticContact CD1-CD1 3.75Å; Y42-Y68 HydrophobicContact CD1-CD1 3.75Å; Y42-Y68 AromaticContact CD1-CE1 3.45Å; Y42-Y68 HydrophobicContact CD1-CE1 3.45Å; Y42-Y68 VanDerWaalsContact CD1-CE1 3.45Å; Y42-Y68 HydrophobicContact CD2-CD1 4.22Å; Y42-Y68 AromaticContact CE1-CD1 3.95Å; Y42-Y68 HydrophobicContact CE1-CD1 3.95Å; Y42-Y68 AromaticContact CE1-CE1 3.52Å; Y42-Y68 HydrophobicContact CE1-CE1 3.52Å; Y42-Y68 HydrophobicContact CE2-CD1 4.39Å; Y42-Y68 AromaticContact CG-CD1 3.9Å; Y42-Y68 HydrophobicContact CG-CD1 3.9Å; Y42-Y68 HydrophobicContact CG-CE1 4.09Å; Y42-I120 HydrophobicContact CD2-CD1 3.7Å; Y42-I120 HydrophobicContact CG-CD1 4.16Å; Y42-D125 HydrophobicContact CE1-CB 4.21Å; Y42-D125 WeakPolarHBondContact CE1-OD2 3.27Å; Y42-D125 PolarHBondContact OH-N 2.81Å; Y42-L225 HydrophobicContact CE1-CD2 3.78Å; Y42-L225 WeakPolarHBondContact CE2-O 3.5Å; Y42-L225 WeakPolarHBondContact OH-CA 3.4Å; Y42-L225 PolarHBondContact OH-O 3.01Å; Y42-T227 HydrophobicContact CD2-CG2 4.45Å; Y42-T227 HydrophobicContact CE2-CG2 3.7Å
43	P	94.5	Very high	89.1	Confident	38 Å²	38	62.1 Å²	62.1	25%	0.247	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	130.2	-172.9	-30.6	36.2	0	0	0	113.2	T45 R224 L225	P43-T45 VanDerWaalsContact C-N 3.29Å; P43-T45 PolarHBondContact O-N 2.97Å; P43-R224 VanDerWaalsContact CD-O 3.26Å; P43-R224 WeakPolarHBondContact CD-O 3.31Å; P43-R224 HydrophobicContact CG-CB 3.75Å; P43-L225 HydrophobicContact CB-CD2 4.23Å; P43-L225 HydrophobicContact CG-CD2 3.93Å
44	G	93	Very high	87.7	Confident	91 Å²	91	61.3 Å²	61.3	94%	0.938	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.3	9	178.4	0	0	0	0	0	115.3	Y42	Y42-G44 PolarHBondContact O-N 2.78Å
45	T	95.7	Very high	86.3	Confident	29 Å²	29	65.2 Å²	65.2	18%	0.178	35%	0.349	C	S	.	.	S	Bend	trans	-133.2	168.2	-178.5	79.1	0	0	0	0	111.8	Y42 P43 I47 Y68	Y42-T45 WeakPolarHBondContact CB-OG1 3.26Å; Y42-T45 HydrophobicContact CD1-CG2 4.27Å; Y42-T45 PolarHBondContact O-N 3.26Å; Y42-T45 PolarHBondContact O-OG1 3.1Å; P43-T45 VanDerWaalsContact C-N 3.29Å; P43-T45 PolarHBondContact O-N 2.97Å; T45-I47 VanDerWaalsContact C-N 3.31Å; T45-I47 WeakPolarHBondContact OG1-CB 3.34Å; T45-I47 PolarHBondContact OG1-N 2.98Å; T45-I47 VanDerWaalsContact OG1-N 3.07Å; T45-Y68 HydrophobicContact CG2-CE1 4.01Å; T45-Y68 HydrophobicContact CG2-CE2 4.19Å
46	N	96.1	Very high	85.3	Confident	154 Å²	154	64.9 Å²	64.9	82%	0.824	35%	0.345	S	S	*	.	S	Bend	trans	-92.7	13.4	168.4	-65.5	-30.6	0	0	0	112.8	R48	N46-R48 PolarHBondContact O-N 2.5Å
47	I	96.7	Very high	84.5	Confident	44 Å²	44	62.7 Å²	62.7	23%	0.226	33%	0.333	C	S	.	.			trans	-83.5	108.5	-176.3	-60.3	173.6	0	0	0	108.7	F41 Y42 T45 P66 Y68 I120	F41-I47 CarbonylContact C-O 3.57Å; F41-I47 WeakPolarHBondContact CA-O 3.18Å; Y42-I47 PolarHBondContact N-O 3.01Å; T45-I47 VanDerWaalsContact C-N 3.31Å; T45-I47 WeakPolarHBondContact OG1-CB 3.34Å; T45-I47 PolarHBondContact OG1-N 2.98Å; T45-I47 VanDerWaalsContact OG1-N 3.07Å; I47-P66 HydrophobicContact CG2-CB 3.91Å; I47-P66 HydrophobicContact CG2-CG 3.76Å; I47-Y68 HydrophobicContact CD1-CD1 4.27Å; I47-Y68 HydrophobicContact CD1-CD2 3.11Å; I47-Y68 HydrophobicContact CD1-CE2 3.8Å; I47-Y68 HydrophobicContact CD1-CG 3.4Å; I47-Y68 VanDerWaalsContact CD1-CG 3.4Å; I47-I120 HydrophobicContact CG2-CD1 3.99Å; I47-I120 HydrophobicContact CG2-CG1 4.3Å
48	R	94.7	Very high	83.7	Confident	104 Å²	104	66.3 Å²	66.3	39%	0.392	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-90.1	126.7	-176.9	-168.6	179.9	173.8	-78	7.1	111.3	E37 L40 F41 N46 P66	E37-R48 IonicContact OE1-CZ 3.96Å; E37-R48 IonicContact OE1-NE 2.7Å; E37-R48 PolarHBondContact OE1-NE 3.3Å; E37-R48 IonicContact OE1-NH2 3.19Å; E37-R48 PolarHBondContact OE1-NH2 2.95Å; E37-R48 IonicContact OE2-NH2 3.26Å; L40-R48 HydrophobicContact CB-CG 4.18Å; F41-R48 HydrophobicContact CD1-CB 3.94Å; F41-R48 HydrophobicContact CD1-CG 4.4Å; F41-R48 HydrophobicContact CE1-CB 3.7Å; F41-R48 HydrophobicContact CE1-CG 4.09Å; F41-R48 HydrophobicContact CE2-CG 4.46Å; F41-R48 HydrophobicContact CZ-CB 4.23Å; F41-R48 HydrophobicContact CZ-CG 4.12Å; N46-R48 PolarHBondContact O-N 2.5Å; R48-P66 VanDerWaalsContact O-CG 3.27Å; R48-P66 WeakPolarHBondContact O-CG 3.44Å
49	R	93.6	Very high	83	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	36%	0.361	C	S	.	.			trans	-58.4	138	174.5	-70.2	167.7	-178.5	-73.3	-1.4	111.4	I31 L40 Y42 C51 T118 G119 I120 R224 N226	I31-R49 VanDerWaalsContact CD1-NE 3.35Å; L40-R49 VanDerWaalsContact O-CB 3.26Å; L40-R49 WeakPolarHBondContact O-CB 3.47Å; L40-R49 WeakPolarHBondContact O-CD 3.48Å; L40-R49 WeakPolarHBondContact O-CG 3.27Å; L40-R49 PolarHBondContact O-N 2.82Å; Y42-R49 VanDerWaalsContact CD2-NH2 3.32Å; R49-C51 PolarHBondContact O-N 3.27Å; R49-T118 WeakPolarHBondContact CD-O 3.17Å; R49-T118 PolarHBondContact NH1-O 3.05Å; R49-T118 PolarHBondContact NH1-OG1 3.29Å; R49-G119 CarbonylContact C-O 3.57Å; R49-G119 WeakPolarHBondContact CA-O 3.3Å; R49-I120 HydrophobicContact CB-CD1 4.47Å; R49-I120 HydrophobicContact CB-CG1 4.41Å; R49-I120 HydrophobicContact CG-CD1 3.38Å; R49-I120 HydrophobicContact CG-CG1 3.64Å; R49-R224 PolarHBondContact NH2-O 3.15Å; R49-N226 VanDerWaalsContact CZ-O 3.27Å; R49-N226 PolarHBondContact NH1-O 3.23Å; R49-N226 PolarHBondContact NH2-O 3.22Å
50	E	89.4	Confident	82.5	Confident	37 Å²	37	73.1 Å²	73.1	17%	0.173	36%	0.364	C	S	.	.			trans	-65.5	105.1	160.6	-170.2	-173.3	143.3	0	0	108.2	L57 N60 Y63 A64 P65 G119	E50-L57 HydrophobicContact CG-CD1 4.48Å; E50-L57 WeakPolarHBondContact O-CD1 3.19Å; E50-N60 PolarHBondContact OE1-ND2 3.43Å; E50-Y63 HydrophobicContact CB-CE2 4.22Å; E50-Y63 VanDerWaalsContact CD-CD2 3.47Å; E50-Y63 HydrophobicContact CG-CD2 4.41Å; E50-Y63 HydrophobicContact CG-CE2 4.44Å; E50-Y63 VanDerWaalsContact OE1-CD2 3.32Å; E50-Y63 WeakPolarHBondContact OE1-CD2 3.3Å; E50-Y63 WeakPolarHBondContact OE2-CD2 3.12Å; E50-A64 PolarHBondContact OE2-N 3.3Å; E50-P65 HydrophobicContact CB-CB 4.31Å; E50-G119 PolarHBondContact N-O 2.92Å; E50-G119 WeakPolarHBondContact O-CA 3.45Å
51	C	81.1	Confident	82.1	Confident	29 Å²	29	82.2 Å²	82.2	20%	0.196	40%	0.403	C	S	.	.			trans	-111.2	129.8	167.3	-175.7	0	0	0	0	110.3	C26 V28 L40 R49	C26-C51 HydrophobicContact CB-CB 4.33Å; C26-C51 WeakPolarHBondContact CB-SG 3.48Å; C26-C51 WeakPolarHBondContact SG-CB 3.48Å; C26-C51 CovalentContact SG-SG 2Å; C26-C51 PolarHBondContact SG-SG 3.24Å; V28-C51 HydrophobicContact CG2-CB 4.23Å; L40-C51 HydrophobicContact CD2-CB 3.7Å; R49-C51 PolarHBondContact O-N 3.27Å
52	A	67.3	Low	81.7	Confident	22 Å²	22	88.6 Å²	88.6	18%	0.182	43%	0.427	C	S	.	.			trans	-109.6	156.2	163.2	0	0	0	0	0	109.2	Y54 K56 L57	A52-Y54 PolarHBondContact O-N 2.84Å; A52-K56 HydrophobicContact CB-CB 3.7Å; A52-L57 HydrophobicContact CB-CB 4.04Å; A52-L57 HydrophobicContact CB-CD1 4.25Å
53	R	68.7	Low	81.4	Confident	190 Å²	190	90.3 Å²	90.3	72%	0.717	43%	0.434	S	S	*	.	B	Isolated β-bridge	trans	-46.8	144.6	175.4	-68.1	-175.3	-179.6	-179	0.9	110.4	S55 K56	R53-S55 PolarHBondContact O-N 2.8Å; R53-K56 PolarHBondContact O-N 2.91Å
54	Y	58.4	Low	81.2	Confident	106 Å²	106	92.4 Å²	92.4	42%	0.416	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-24.6	-47.8	-172.9	-83	-96.9	0	0	0	117.6	R25 Y27 K33 A52	R25-Y54 HydrophobicContact CB-CD2 4.26Å; R25-Y54 HydrophobicContact CB-CE2 4.26Å; R25-Y54 VanDerWaalsContact O-CD2 3.26Å; R25-Y54 WeakPolarHBondContact O-CD2 3.26Å; Y27-Y54 HydrophobicContact CD2-CD1 4.28Å; Y27-Y54 AromaticContact CD2-CE1 3.72Å; Y27-Y54 HydrophobicContact CD2-CE1 3.72Å; Y27-Y54 AromaticContact CG-CD1 3.93Å; Y27-Y54 HydrophobicContact CG-CD1 3.93Å; Y27-Y54 AromaticContact CG-CE1 3.79Å; Y27-Y54 HydrophobicContact CG-CE1 3.79Å; K33-Y54 WeakPolarHBondContact CG-OH 3.03Å; A52-Y54 PolarHBondContact O-N 2.84Å
55	S	58.4	Low	81.3	Confident	83 Å²	83	89 Å²	89	58%	0.58	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-18	-176.7	54.2	0	0	0	0	115.4	R53	R53-S55 PolarHBondContact O-N 2.8Å
56	K	65.1	Low	81.4	Confident	135 Å²	135	89.9 Å²	89.9	59%	0.587	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-35.1	-171.1	-69	-168.8	177.4	-170	0	113.4	A52 R53 K58 R59 N60	A52-K56 HydrophobicContact CB-CB 3.7Å; R53-K56 PolarHBondContact O-N 2.91Å; K56-K58 PolarHBondContact O-N 3.27Å; K56-R59 CarbonylContact O-C 3.43Å; K56-R59 PolarHBondContact O-N 3.11Å; K56-N60 WeakPolarHBondContact O-CB 3.42Å; K56-N60 PolarHBondContact O-N 3.21Å
57	L	69.5	Low	81.4	Confident	3 Å²	3	86.6 Å²	86.6	2%	0.016	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-62.3	-44	-173	-171	65	0	0	0	112.3	E50 A52 R59 N60 Y63 R117	E50-L57 HydrophobicContact CG-CD1 4.48Å; E50-L57 WeakPolarHBondContact O-CD1 3.19Å; A52-L57 HydrophobicContact CB-CB 4.04Å; A52-L57 HydrophobicContact CB-CD1 4.25Å; L57-R59 PolarHBondContact O-N 3.44Å; L57-N60 PolarHBondContact O-N 3.14Å; L57-Y63 HydrophobicContact CD1-CD2 3.81Å; L57-Y63 HydrophobicContact CD1-CE2 3.67Å; L57-Y63 HydrophobicContact CG-CE2 4.49Å; L57-R117 HydrophobicContact CD2-CB 4.35Å; L57-R117 HydrophobicContact CG-CB 4.27Å; L57-R117 PolarHBondContact O-NH1 2.67Å
58	K	71.2	Confident	81.5	Confident	150 Å²	150	86.4 Å²	86.4	65%	0.652	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-62.1	-28.2	177.2	-69.1	-173.9	177.3	-176.8	0	113.2	K56	K56-K58 PolarHBondContact O-N 3.27Å
59	R	75.5	Confident	81.6	Confident	211 Å²	211	82.8 Å²	82.8	80%	0.796	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-107.8	0.6	-175.7	-65.7	-178	176.3	168.1	-0.9	113.3	K56 L57 K61	K56-R59 CarbonylContact O-C 3.43Å; K56-R59 PolarHBondContact O-N 3.11Å; L57-R59 PolarHBondContact O-N 3.44Å; R59-K61 PolarHBondContact O-N 2.58Å
60	N	80.2	Confident	81.6	Confident	40 Å²	40	84.1 Å²	84.1	21%	0.214	40%	0.398	C	S	.	.			trans	-67.6	109.2	-177.2	-173	11.7	0	0	0	109.1	E50 K56 L57 Y62 Y63 R117	E50-N60 PolarHBondContact OE1-ND2 3.43Å; K56-N60 WeakPolarHBondContact O-CB 3.42Å; K56-N60 PolarHBondContact O-N 3.21Å; L57-N60 PolarHBondContact O-N 3.14Å; N60-Y62 PolarHBondContact ND2-O 2.9Å; N60-Y62 PolarHBondContact OD1-N 2.84Å; N60-Y63 WeakPolarHBondContact O-CB 3.42Å; N60-R117 PolarHBondContact O-NH1 2.71Å; N60-R117 PolarHBondContact O-NH2 2.92Å
61	K	82.8	Confident	81.5	Confident	193 Å²	193	86.7 Å²	86.7	84%	0.839	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-25.9	175.6	-68.3	-175.5	177.8	-178.2	0	111.6	R59 Y63	R59-K61 PolarHBondContact O-N 2.58Å; K61-Y63 VanDerWaalsContact C-N 3.3Å; K61-Y63 PolarHBondContact O-N 3.07Å
62	Y	87	Confident	81.5	Confident	202 Å²	202	92.3 Å²	92.3	79%	0.792	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	32.5	179.1	-49.5	-74.8	0	0	0	111.9	N60 A64	N60-Y62 PolarHBondContact ND2-O 2.9Å; N60-Y62 PolarHBondContact OD1-N 2.84Å; Y62-A64 PolarHBondContact O-N 3.16Å
63	Y	90.4	Very high	82.6	Confident	36 Å²	36	93.9 Å²	93.9	14%	0.141	45%	0.453	C	S	.	.			trans	-69.2	114.2	179	180	-107.8	0	0	0	109.4	E50 L57 N60 K61 P65 R117 G119 D228	E50-Y63 HydrophobicContact CB-CE2 4.22Å; E50-Y63 VanDerWaalsContact CD-CD2 3.47Å; E50-Y63 HydrophobicContact CG-CD2 4.41Å; E50-Y63 HydrophobicContact CG-CE2 4.44Å; E50-Y63 VanDerWaalsContact OE1-CD2 3.32Å; E50-Y63 WeakPolarHBondContact OE1-CD2 3.3Å; E50-Y63 WeakPolarHBondContact OE2-CD2 3.12Å; L57-Y63 HydrophobicContact CD1-CD2 3.81Å; L57-Y63 HydrophobicContact CD1-CE2 3.67Å; L57-Y63 HydrophobicContact CG-CE2 4.49Å; N60-Y63 WeakPolarHBondContact O-CB 3.42Å; K61-Y63 VanDerWaalsContact C-N 3.3Å; K61-Y63 PolarHBondContact O-N 3.07Å; Y63-P65 HydrophobicContact CD1-CG 4.08Å; Y63-P65 HydrophobicContact CE1-CB 4.22Å; Y63-P65 VanDerWaalsContact CE1-CD 3.43Å; Y63-P65 HydrophobicContact CE1-CG 3.42Å; Y63-P65 VanDerWaalsContact CE1-CG 3.42Å; Y63-P65 HydrophobicContact CE2-CB 4.15Å; Y63-P65 HydrophobicContact CE2-CG 4.21Å; Y63-P65 VanDerWaalsContact CZ-CG 3.49Å; Y63-R117 HydrophobicContact CD1-CG 4.1Å; Y63-R117 HydrophobicContact CE1-CB 4.17Å; Y63-R117 HydrophobicContact CE1-CG 3.63Å; Y63-R117 HydrophobicContact CE2-CB 4.04Å; Y63-R117 HydrophobicContact CE2-CG 4.22Å; Y63-G119 WeakPolarHBondContact OH-CA 3.41Å; Y63-G119 PolarHBondContact OH-N 2.86Å; Y63-D228 WeakPolarHBondContact CE1-OD2 2.79Å; Y63-D228 VanDerWaalsContact CZ-OD2 3.22Å; Y63-D228 PolarHBondContact OH-OD1 3.29Å; Y63-D228 VanDerWaalsContact OH-OD1 3.14Å; Y63-D228 PolarHBondContact OH-OD2 3.29Å
64	A	91.2	Very high	83.7	Confident	81 Å²	81	94 Å²	94	67%	0.669	46%	0.458	S	S	*	.			trans	-138.3	65.4	-175	0	0	0	0	0	108.9	E50 Y62	E50-A64 PolarHBondContact OE2-N 3.3Å; Y62-A64 PolarHBondContact O-N 3.16Å
65	P	95.1	Very high	85.2	Confident	21 Å²	21	93.9 Å²	93.9	14%	0.136	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-66.3	152.8	-178.9	32.1	-39.4	0	0	0	110.7	E50 Y63 G119 T121	E50-P65 HydrophobicContact CB-CB 4.31Å; Y63-P65 HydrophobicContact CD1-CG 4.08Å; Y63-P65 HydrophobicContact CE1-CB 4.22Å; Y63-P65 VanDerWaalsContact CE1-CD 3.43Å; Y63-P65 HydrophobicContact CE1-CG 3.42Å; Y63-P65 VanDerWaalsContact CE1-CG 3.42Å; Y63-P65 HydrophobicContact CE2-CB 4.15Å; Y63-P65 HydrophobicContact CE2-CG 4.21Å; Y63-P65 VanDerWaalsContact CZ-CG 3.49Å; P65-G119 WeakPolarHBondContact CB-O 3.45Å; P65-T121 HydrophobicContact CG-CG2 3.49Å; P65-T121 VanDerWaalsContact CG-CG2 3.49Å
66	P	96.9	Very high	87	Confident	47 Å²	47	91.2 Å²	91.2	31%	0.305	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-63.9	144.3	169.8	25.2	-32.1	0	0	0	111.4	I47 R48 G119 I120 T121	I47-P66 HydrophobicContact CG2-CB 3.91Å; I47-P66 HydrophobicContact CG2-CG 3.76Å; R48-P66 VanDerWaalsContact O-CG 3.27Å; R48-P66 WeakPolarHBondContact O-CG 3.44Å; P66-G119 WeakPolarHBondContact CD-O 3.44Å; P66-I120 HydrophobicContact CG-CG1 4.16Å; P66-I120 WeakPolarHBondContact O-CA 3.33Å; P66-T121 PolarHBondContact O-N 3.14Å
67	E	96.9	Very high	88.5	Confident	84 Å²	84	85.4 Å²	85.4	39%	0.393	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	134.4	172	-179.3	75	-179.9	0	0	109.9	R110 T121 G122	E67-R110 IonicContact OE1-CZ 2.89Å; E67-R110 VanDerWaalsContact OE1-CZ 3.23Å; E67-R110 IonicContact OE1-NH1 3.76Å; E67-R110 PolarHBondContact OE1-NH1 2.81Å; E67-R110 IonicContact OE1-NH2 3.76Å; E67-R110 PolarHBondContact OE1-NH2 2.86Å; E67-R110 IonicContact OE2-CZ 3.73Å; E67-R110 IonicContact OE2-NH1 2.76Å; E67-R110 PolarHBondContact OE2-NH1 2.7Å; E67-T121 VanDerWaalsContact OE2-C 3.28Å; E67-T121 WeakPolarHBondContact OE2-CB 3.06Å; E67-T121 PolarHBondContact OE2-OG1 2.9Å; E67-G122 WeakPolarHBondContact OE1-CA 3.01Å; E67-G122 PolarHBondContact OE2-N 2.76Å
68	Y	97.5	Very high	89.6	Confident	41 Å²	41	88.6 Å²	88.6	16%	0.161	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	127.8	172.1	179.8	-123.1	0	0	0	111.9	Y42 T45 I47 T121 G122 R123 G124 D125	Y42-Y68 AromaticContact CD1-CD1 3.75Å; Y42-Y68 HydrophobicContact CD1-CD1 3.75Å; Y42-Y68 AromaticContact CD1-CE1 3.45Å; Y42-Y68 HydrophobicContact CD1-CE1 3.45Å; Y42-Y68 VanDerWaalsContact CD1-CE1 3.45Å; Y42-Y68 HydrophobicContact CD2-CD1 4.22Å; Y42-Y68 AromaticContact CE1-CD1 3.95Å; Y42-Y68 HydrophobicContact CE1-CD1 3.95Å; Y42-Y68 AromaticContact CE1-CE1 3.52Å; Y42-Y68 HydrophobicContact CE1-CE1 3.52Å; Y42-Y68 HydrophobicContact CE2-CD1 4.39Å; Y42-Y68 AromaticContact CG-CD1 3.9Å; Y42-Y68 HydrophobicContact CG-CD1 3.9Å; Y42-Y68 HydrophobicContact CG-CE1 4.09Å; T45-Y68 HydrophobicContact CG2-CE1 4.01Å; T45-Y68 HydrophobicContact CG2-CE2 4.19Å; I47-Y68 HydrophobicContact CD1-CD1 4.27Å; I47-Y68 HydrophobicContact CD1-CD2 3.11Å; I47-Y68 HydrophobicContact CD1-CE2 3.8Å; I47-Y68 HydrophobicContact CD1-CG 3.4Å; I47-Y68 VanDerWaalsContact CD1-CG 3.4Å; Y68-T121 PolarHBondContact N-O 3.47Å; Y68-G122 CarbonylContact O-C 3.58Å; Y68-G122 WeakPolarHBondContact O-CA 3.41Å; Y68-R123 PolarHBondContact O-N 2.9Å; Y68-G124 WeakPolarHBondContact O-CA 3.5Å; Y68-G124 PolarHBondContact O-N 2.92Å; Y68-D125 PolarHBondContact OH-OD1 3.44Å
69	S	97.3	Very high	90.6	Very high	27 Å²	27	83.7 Å²	83.7	19%	0.189	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	134.6	166.8	-62	0	0	0	0	108.8	D79 R123	S69-D79 VanDerWaalsContact CB-CG 3.5Å; S69-D79 VanDerWaalsContact CB-OD1 3.3Å; S69-D79 WeakPolarHBondContact CB-OD1 3.36Å; S69-R123 PolarHBondContact OG-N 2.84Å
70	S	94.8	Very high	91.2	Very high	29 Å²	29	78.3 Å²	78.3	20%	0.203	42%	0.421	C	S	.	.			trans	-83.5	117.4	177.7	-175.4	0	0	0	0	110.9	N72 R123 G124 D125	S70-N72 PolarHBondContact O-N 2.59Å; S70-R123 PolarHBondContact O-NH2 2.82Å; S70-G124 PolarHBondContact N-O 3.16Å; S70-D125 WeakPolarHBondContact CB-OD1 3.47Å
71	S	87	Confident	91.6	Very high	90 Å²	90	77.5 Å²	77.5	63%	0.629	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-10.1	-169	52.8	0	0	0	0	115.6	D79	S71-D79 WeakPolarHBondContact CA-OD2 3.25Å
72	N	81	Confident	91.8	Very high	147 Å²	147	74.6 Å²	74.6	79%	0.786	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.4	28.5	-171.1	-67.9	-49	0	0	0	114.1	S70	S70-N72 PolarHBondContact O-N 2.59Å
73	L	90.2	Very high	91.5	Very high	55 Å²	55	69.4 Å²	69.4	29%	0.288	42%	0.418	S	S	.	.			trans	-87.6	116.3	179.7	-66.2	176.1	0	0	0	111	S75 A76 D125 L127	L73-S75 PolarHBondContact O-N 2.88Å; L73-A76 HydrophobicContact CB-CB 3.65Å; L73-A76 WeakPolarHBondContact O-CB 3.5Å; L73-A76 PolarHBondContact O-N 2.99Å; L73-D125 WeakPolarHBondContact CD1-O 3.36Å; L73-L127 HydrophobicContact CB-CD2 4.03Å; L73-L127 HydrophobicContact CD1-CD2 4.45Å
74	K	90.5	Very high	91.1	Very high	192 Å²	192	70.2 Å²	70.2	84%	0.835	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	134.5	175.3	-69.2	-174.2	178.3	-176.9	0	110.5	A76	K74-A76 PolarHBondContact O-N 2.87Å; K74-A76 VanDerWaalsContact O-N 3.15Å
75	S	91.5	Very high	91	Very high	105 Å²	105	73 Å²	73	73%	0.734	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	17.6	177.9	-49.2	0	0	0	0	114.3	L73 R128	L73-S75 PolarHBondContact O-N 2.88Å; S75-R128 PolarHBondContact O-NH1 3.24Å; S75-R128 PolarHBondContact O-NH2 2.81Å
76	A	95.5	Very high	91	Very high	26 Å²	26	73 Å²	73	22%	0.215	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-76.5	160.7	172.8	0	0	0	0	0	112.1	L73 K74 L127	L73-A76 HydrophobicContact CB-CB 3.65Å; L73-A76 WeakPolarHBondContact O-CB 3.5Å; L73-A76 PolarHBondContact O-N 2.99Å; K74-A76 PolarHBondContact O-N 2.87Å; K74-A76 VanDerWaalsContact O-N 3.15Å; A76-L127 CarbonylContact C-O 3.57Å; A76-L127 WeakPolarHBondContact CA-O 3.32Å; A76-L127 HydrophobicContact CB-CD2 3.99Å
77	D	95.8	Very high	90.9	Very high	14 Å²	14	71.3 Å²	71.3	8%	0.075	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-63.1	148.9	165.3	-65.8	-14.5	0	0	0	110.4	I86 R97 R123 L127 R128 W129	D77-I86 HydrophobicContact CB-CD1 4.09Å; D77-R97 VanDerWaalsContact CG-NH2 3.33Å; D77-R97 IonicContact OD1-CZ 3.23Å; D77-R97 IonicContact OD1-NH1 3.62Å; D77-R97 IonicContact OD1-NH2 3.71Å; D77-R97 PolarHBondContact OD1-NH2 2.97Å; D77-R97 IonicContact OD2-CZ 2.81Å; D77-R97 IonicContact OD2-NH1 2.82Å; D77-R97 PolarHBondContact OD2-NH1 2.83Å; D77-R97 IonicContact OD2-NH2 2.76Å; D77-R97 PolarHBondContact OD2-NH2 2.82Å; D77-R123 PolarHBondContact O-NE 2.92Å; D77-L127 PolarHBondContact N-O 2.88Å; D77-R128 IonicContact OD1-NH1 3.41Å; D77-R128 VanDerWaalsContact OD2-CA 3.31Å; D77-R128 WeakPolarHBondContact OD2-CA 3.27Å; D77-W129 VanDerWaalsContact CB-CD1 3.47Å; D77-W129 PolarHBondContact OD2-N 2.5Å
78	P	93.4	Very high	90.9	Very high	69 Å²	69	68.7 Å²	68.7	45%	0.448	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-62.6	144.4	176.5	27.5	-36.2	0	0	0	111.6	T84 W129	P78-T84 HydrophobicContact CB-CG2 4.43Å; P78-T84 HydrophobicContact CG-CG2 3.64Å; P78-W129 PolarHBondContact O-NE1 2.64Å
79	D	92.1	Very high	90.9	Very high	48 Å²	48	69.4 Å²	69.4	26%	0.257	41%	0.412	S	S	.	.	S	Bend	trans	-75.6	-36.3	-179.8	-70.5	-25	0	0	0	112.8	S69 S71 R123 W129	S69-D79 VanDerWaalsContact CB-CG 3.5Å; S69-D79 VanDerWaalsContact CB-OD1 3.3Å; S69-D79 WeakPolarHBondContact CB-OD1 3.36Å; S71-D79 WeakPolarHBondContact CA-OD2 3.25Å; D79-R123 IonicContact OD1-CZ 2.82Å; D79-R123 VanDerWaalsContact OD1-CZ 3.3Å; D79-R123 IonicContact OD1-NE 3.19Å; D79-R123 PolarHBondContact OD1-NE 3.26Å; D79-R123 VanDerWaalsContact OD1-NE 3.14Å; D79-R123 IonicContact OD1-NH2 3.94Å; D79-R123 PolarHBondContact OD1-NH2 2.72Å; D79-R123 IonicContact OD2-NH2 2.87Å; D79-W129 WeakPolarHBondContact O-CZ2 3.32Å
80	D	89	Confident	91	Very high	98 Å²	98	74.1 Å²	74.1	52%	0.524	43%	0.426	S	S	.	.			trans	-82.5	123.5	165.9	-169.5	4.5	0	0	0	109.2	N82 T84	D80-N82 WeakPolarHBondContact OD1-CB 3.43Å; D80-N82 PolarHBondContact OD1-N 3.3Å; D80-N82 PolarHBondContact OD1-ND2 3.05Å; D80-N82 PolarHBondContact OD2-ND2 3Å; D80-T84 WeakPolarHBondContact O-CG2 3.46Å
81	L	88.6	Confident	91.1	Very high	23 Å²	23	76.3 Å²	76.3	12%	0.12	44%	0.435	C	S	.	.			trans	-91	-4.3	177	-65	-176.6	0	0	0	112.7	G83 T84 I86 F88 G109 R110 W129	L81-G83 PolarHBondContact O-N 3.11Å; L81-T84 VanDerWaalsContact CA-OG1 3.26Å; L81-T84 WeakPolarHBondContact CA-OG1 3.39Å; L81-T84 PolarHBondContact O-N 3.03Å; L81-T84 PolarHBondContact O-OG1 3.34Å; L81-I86 HydrophobicContact CD2-CD1 3.42Å; L81-I86 VanDerWaalsContact CD2-CD1 3.42Å; L81-I86 HydrophobicContact CD2-CG1 4.32Å; L81-F88 HydrophobicContact CD1-CZ 4.43Å; L81-G109 VanDerWaalsContact CD1-O 3.27Å; L81-G109 WeakPolarHBondContact CD1-O 3.27Å; L81-R110 HydrophobicContact CD1-CG 3.73Å; L81-W129 HydrophobicContact CD1-CD2 4.02Å; L81-W129 HydrophobicContact CD1-CE3 4.34Å; L81-W129 HydrophobicContact CD1-CG 4.33Å; L81-W129 HydrophobicContact CD1-CZ2 4.42Å; L81-W129 HydrophobicContact CD2-CD2 4.4Å; L81-W129 HydrophobicContact CD2-CG 4.2Å; L81-W129 HydrophobicContact CG-CD2 4.47Å; L81-W129 HydrophobicContact CG-CZ2 4.3Å
82	N	85.2	Confident	91.5	Very high	132 Å²	132	75.7 Å²	75.7	71%	0.706	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	126.7	177.3	-71.3	-36.2	0	0	0	111.3	D80 T84	D80-N82 WeakPolarHBondContact OD1-CB 3.43Å; D80-N82 PolarHBondContact OD1-N 3.3Å; D80-N82 PolarHBondContact OD1-ND2 3.05Å; D80-N82 PolarHBondContact OD2-ND2 3Å; N82-T84 PolarHBondContact O-N 2.76Å; N82-T84 VanDerWaalsContact O-N 3.09Å
83	G	80.9	Confident	92.1	Very high	93 Å²	93	76 Å²	76	96%	0.959	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	-1.3	-178.2	0	0	0	0	0	114.7	L81	L81-G83 PolarHBondContact O-N 3.11Å
84	T	83.5	Confident	92.4	Very high	52 Å²	52	75.3 Å²	75.3	32%	0.319	43%	0.429	S	S	.	.			trans	-84.8	134.9	176.2	73.4	0	0	0	0	110	P78 D80 L81 N82	P78-T84 HydrophobicContact CB-CG2 4.43Å; P78-T84 HydrophobicContact CG-CG2 3.64Å; D80-T84 WeakPolarHBondContact O-CG2 3.46Å; L81-T84 VanDerWaalsContact CA-OG1 3.26Å; L81-T84 WeakPolarHBondContact CA-OG1 3.39Å; L81-T84 PolarHBondContact O-N 3.03Å; L81-T84 PolarHBondContact O-OG1 3.34Å; N82-T84 PolarHBondContact O-N 2.76Å; N82-T84 VanDerWaalsContact O-N 3.09Å
85	N	89.3	Confident	92.8	Very high	141 Å²	141	67.8 Å²	67.8	75%	0.754	40%	0.398	S	S	*	.			trans	-103.9	71.1	174.7	-171	23.7	0	0	0	109.8	P87	N85-P87 WeakPolarHBondContact O-CD 3.08Å
86	I	94	Very high	93.1	Very high	19 Å²	19	63 Å²	63	10%	0.097	36%	0.364	C	S	.	.			trans	-74.8	120.9	176.2	-62.7	-172.4	0	0	0	109.4	D77 L81 F88	D77-I86 HydrophobicContact CB-CD1 4.09Å; L81-I86 HydrophobicContact CD2-CD1 3.42Å; L81-I86 VanDerWaalsContact CD2-CD1 3.42Å; L81-I86 HydrophobicContact CD2-CG1 4.32Å; I86-F88 VanDerWaalsContact C-N 3.28Å; I86-F88 HydrophobicContact CB-CE1 4.09Å; I86-F88 HydrophobicContact CB-CE2 4.04Å; I86-F88 HydrophobicContact CB-CZ 3.75Å; I86-F88 HydrophobicContact CD1-CZ 4.43Å; I86-F88 HydrophobicContact CG2-CD1 3.84Å; I86-F88 HydrophobicContact CG2-CE1 3.45Å; I86-F88 VanDerWaalsContact CG2-CE1 3.45Å; I86-F88 HydrophobicContact CG2-CE2 4.24Å; I86-F88 HydrophobicContact CG2-CG 4.37Å; I86-F88 HydrophobicContact CG2-CZ 3.67Å; I86-F88 WeakPolarHBondContact O-CD2 3.36Å; I86-F88 PolarHBondContact O-N 2.87Å
87	P	94.8	Very high	93.2	Very high	13 Å²	13	62.4 Å²	62.4	8%	0.084	36%	0.356	C	S	.	.			trans	-77.4	73.5	-177.2	35.8	-41.7	0	0	0	110.9	N85 R90 E92 R97	N85-P87 WeakPolarHBondContact O-CD 3.08Å; P87-R90 HydrophobicContact CB-CG 3.68Å; P87-R90 VanDerWaalsContact O-CG 3.29Å; P87-R90 WeakPolarHBondContact O-CG 3.26Å; P87-E92 HydrophobicContact CB-CB 4.2Å; P87-E92 WeakPolarHBondContact CB-OE2 3.32Å; P87-E92 HydrophobicContact CG-CB 3.82Å; P87-E92 HydrophobicContact CG-CG 4.34Å; P87-E92 WeakPolarHBondContact CG-OE2 3.44Å; P87-R97 WeakPolarHBondContact O-CD 3.45Å
88	F	97.5	Very high	93.4	Very high	29 Å²	29	67 Å²	67	13%	0.127	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	152.7	177.6	-62.3	-61	0	0	0	112.4	L81 I86 R90 Y104 V106 G109 P111 W129	L81-F88 HydrophobicContact CD1-CZ 4.43Å; I86-F88 VanDerWaalsContact C-N 3.28Å; I86-F88 HydrophobicContact CB-CE1 4.09Å; I86-F88 HydrophobicContact CB-CE2 4.04Å; I86-F88 HydrophobicContact CB-CZ 3.75Å; I86-F88 HydrophobicContact CD1-CZ 4.43Å; I86-F88 HydrophobicContact CG2-CD1 3.84Å; I86-F88 HydrophobicContact CG2-CE1 3.45Å; I86-F88 VanDerWaalsContact CG2-CE1 3.45Å; I86-F88 HydrophobicContact CG2-CE2 4.24Å; I86-F88 HydrophobicContact CG2-CG 4.37Å; I86-F88 HydrophobicContact CG2-CZ 3.67Å; I86-F88 WeakPolarHBondContact O-CD2 3.36Å; I86-F88 PolarHBondContact O-N 2.87Å; F88-R90 PolarHBondContact O-N 2.56Å; F88-Y104 HydrophobicContact CB-CE2 3.97Å; F88-Y104 HydrophobicContact CD1-CE2 4.2Å; F88-Y104 HydrophobicContact CG-CE2 4.36Å; F88-V106 HydrophobicContact CB-CG2 3.74Å; F88-V106 HydrophobicContact CD2-CB 4.49Å; F88-V106 HydrophobicContact CD2-CG1 3.85Å; F88-V106 HydrophobicContact CD2-CG2 3.79Å; F88-V106 HydrophobicContact CE2-CG1 4.06Å; F88-V106 HydrophobicContact CG-CG2 3.85Å; F88-G109 VanDerWaalsContact CE2-O 3.32Å; F88-G109 WeakPolarHBondContact CE2-O 3.49Å; F88-P111 HydrophobicContact CD1-CB 4.06Å; F88-P111 HydrophobicContact CD1-CG 4.15Å; F88-P111 HydrophobicContact CE1-CB 4.08Å; F88-P111 HydrophobicContact CE1-CG 3.67Å; F88-P111 HydrophobicContact CZ-CG 4.21Å; F88-W129 HydrophobicContact CE1-CB 3.86Å; F88-W129 HydrophobicContact CZ-CB 4.3Å
89	N	98.2	Very high	93.6	Very high	56 Å²	56	64.4 Å²	64.4	30%	0.299	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	18.2	179	-66.4	-65	0	0	0	116.4	R97 R98 G103 Y104	N89-R97 PolarHBondContact N-O 3.24Å; N89-R98 WeakPolarHBondContact O-CG 3.14Å; N89-G103 WeakPolarHBondContact OD1-CA 3.24Å; N89-Y104 PolarHBondContact N-OH 2.8Å; N89-Y104 PolarHBondContact ND2-O 3.29Å; N89-Y104 WeakPolarHBondContact OD1-CD1 3.11Å; N89-Y104 WeakPolarHBondContact OD1-CE1 3.26Å; N89-Y104 PolarHBondContact OD1-N 3.02Å
90	R	97.5	Very high	93.9	Very high	126 Å²	126	64.1 Å²	64.1	48%	0.475	36%	0.356	S	S	.	.	S	Bend	trans	-141.1	164.5	177.4	67.7	-169.5	108.7	165.8	4.7	112.1	P87 F88 R97	P87-R90 HydrophobicContact CB-CG 3.68Å; P87-R90 VanDerWaalsContact O-CG 3.29Å; P87-R90 WeakPolarHBondContact O-CG 3.26Å; F88-R90 PolarHBondContact O-N 2.56Å; R90-R97 WeakPolarHBondContact O-CA 3.4Å; R90-R97 WeakPolarHBondContact O-CB 3.43Å; R90-R97 PolarHBondContact O-N 3.28Å
91	L	97.8	Very high	94.3	Very high	75 Å²	75	65.9 Å²	65.9	39%	0.393	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	124.6	168.9	167.4	62.8	0	0	0	107.8	I95 D96	L91-I95 WeakPolarHBondContact CD1-O 3.46Å; L91-D96 HydrophobicContact CD1-CB 4.02Å
92	E	95.5	Very high	94.7	Very high	76 Å²	76	66.7 Å²	66.7	36%	0.355	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	138.7	177.8	-169.6	172.4	-92.6	0	0	109.9	P87 G94 I95	P87-E92 HydrophobicContact CB-CB 4.2Å; P87-E92 WeakPolarHBondContact CB-OE2 3.32Å; P87-E92 HydrophobicContact CG-CB 3.82Å; P87-E92 HydrophobicContact CG-CG 4.34Å; P87-E92 WeakPolarHBondContact CG-OE2 3.44Å; E92-G94 PolarHBondContact O-N 3.24Å; E92-G94 VanDerWaalsContact O-N 3.12Å; E92-I95 PolarHBondContact N-O 2.79Å; E92-I95 VanDerWaalsContact N-O 3.15Å; E92-I95 PolarHBondContact O-N 2.79Å
93	N	94.1	Very high	95.3	Very high	154 Å²	154	64 Å²	64	82%	0.824	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	36.9	178.7	-58.7	-32.6	0	0	0	114.4	I95	N93-I95 VanDerWaalsContact C-N 3.27Å; N93-I95 PolarHBondContact O-N 3.23Å
94	G	96.2	Very high	96.1	Very high	40 Å²	40	60.1 Å²	60.1	41%	0.412	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	-4.3	-179.6	0	0	0	0	0	115.3	E92 N176	E92-G94 PolarHBondContact O-N 3.24Å; E92-G94 VanDerWaalsContact O-N 3.12Å; G94-N176 WeakPolarHBondContact O-CB 3.34Å
95	I	97.9	Very high	96.8	Very high	35 Å²	35	65.4 Å²	65.4	18%	0.179	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	113.2	177.6	-55.8	177.5	0	0	0	109.2	L91 E92 N93 R97 D175	L91-I95 WeakPolarHBondContact CD1-O 3.46Å; E92-I95 PolarHBondContact N-O 2.79Å; E92-I95 VanDerWaalsContact N-O 3.15Å; E92-I95 PolarHBondContact O-N 2.79Å; N93-I95 VanDerWaalsContact C-N 3.27Å; N93-I95 PolarHBondContact O-N 3.23Å; I95-R97 HydrophobicContact CG2-CG 3.94Å; I95-R97 PolarHBondContact O-N 2.9Å; I95-D175 HydrophobicContact CG1-CB 4.16Å
96	D	98.5	Very high	97.2	Very high	3 Å²	3	61.6 Å²	61.6	2%	0.016	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	111.3	174.1	-160.3	-15.2	0	0	0	109.2	L91 R98 H133 D175 N176 Y178	L91-D96 HydrophobicContact CD1-CB 4.02Å; D96-R98 VanDerWaalsContact OD1-CB 3.27Å; D96-R98 WeakPolarHBondContact OD1-CB 3.24Å; D96-R98 WeakPolarHBondContact OD1-CG 3.39Å; D96-R98 IonicContact OD1-CZ 3.69Å; D96-R98 PolarHBondContact OD1-N 2.86Å; D96-R98 IonicContact OD1-NE 2.66Å; D96-R98 PolarHBondContact OD1-NE 2.98Å; D96-R98 IonicContact OD1-NH2 3.55Å; D96-R98 IonicContact OD2-CZ 3.37Å; D96-R98 IonicContact OD2-NE 3.7Å; D96-R98 PolarHBondContact OD2-NE 2.99Å; D96-R98 IonicContact OD2-NH2 2.96Å; D96-R98 PolarHBondContact OD2-NH2 3.49Å; D96-H133 PolarHBondContact O-CD2 3.13Å; D96-H133 PolarHBondContact O-NE2 2.94Å; D96-D175 PolarHBondContact N-O 2.82Å; D96-N176 HydrophobicContact CB-CB 4.25Å; D96-Y178 WeakPolarHBondContact OD2-CE2 3.34Å
97	R	98.4	Very high	97.2	Very high	14 Å²	14	65 Å²	65	5%	0.053	35%	0.354	C	S	.	.			trans	-101.9	13.9	176.1	-57.1	-176.6	176.8	-89.1	1.6	112	D77 P87 N89 R90 I95 Y104 W129 P131	D77-R97 VanDerWaalsContact CG-NH2 3.33Å; D77-R97 IonicContact OD1-CZ 3.23Å; D77-R97 IonicContact OD1-NH1 3.62Å; D77-R97 IonicContact OD1-NH2 3.71Å; D77-R97 PolarHBondContact OD1-NH2 2.97Å; D77-R97 IonicContact OD2-CZ 2.81Å; D77-R97 IonicContact OD2-NH1 2.82Å; D77-R97 PolarHBondContact OD2-NH1 2.83Å; D77-R97 IonicContact OD2-NH2 2.76Å; D77-R97 PolarHBondContact OD2-NH2 2.82Å; P87-R97 WeakPolarHBondContact O-CD 3.45Å; N89-R97 PolarHBondContact N-O 3.24Å; R90-R97 WeakPolarHBondContact O-CA 3.4Å; R90-R97 WeakPolarHBondContact O-CB 3.43Å; R90-R97 PolarHBondContact O-N 3.28Å; I95-R97 HydrophobicContact CG2-CG 3.94Å; I95-R97 PolarHBondContact O-N 2.9Å; R97-Y104 WeakPolarHBondContact O-CE1 3.42Å; R97-Y104 VanDerWaalsContact O-CZ 3.29Å; R97-Y104 PolarHBondContact O-OH 2.87Å; R97-W129 PolarHBondContact NH1-O 2.84Å; R97-P131 WeakPolarHBondContact O-CG 3.47Å
98	R	98.5	Very high	97.2	Very high	111 Å²	111	68.2 Å²	68.2	42%	0.419	39%	0.39	S	S	.	.			trans	-85.4	144.8	175.9	-62.4	170.4	-61.8	175.7	4.5	110.4	N89 D96 H133	N89-R98 WeakPolarHBondContact O-CG 3.14Å; D96-R98 VanDerWaalsContact OD1-CB 3.27Å; D96-R98 WeakPolarHBondContact OD1-CB 3.24Å; D96-R98 WeakPolarHBondContact OD1-CG 3.39Å; D96-R98 IonicContact OD1-CZ 3.69Å; D96-R98 PolarHBondContact OD1-N 2.86Å; D96-R98 IonicContact OD1-NE 2.66Å; D96-R98 PolarHBondContact OD1-NE 2.98Å; D96-R98 IonicContact OD1-NH2 3.55Å; D96-R98 IonicContact OD2-CZ 3.37Å; D96-R98 IonicContact OD2-NE 3.7Å; D96-R98 PolarHBondContact OD2-NE 2.99Å; D96-R98 IonicContact OD2-NH2 2.96Å; D96-R98 PolarHBondContact OD2-NH2 3.49Å; R98-H133 PolarHBondContact O-CE1 2.98Å; R98-H133 VanDerWaalsContact O-CE1 3.27Å; R98-H133 PolarHBondContact O-NE2 2.83Å
99	S	98.5	Very high	97	Very high	14 Å²	14	68.8 Å²	68.8	10%	0.098	40%	0.404	C	S	.	.	B	Isolated β-bridge	trans	-95.4	146.4	174.7	173.6	0	0	0	0	111.4	K101 G102 E233	S99-K101 PolarHBondContact O-N 2.86Å; S99-K101 VanDerWaalsContact O-N 3.13Å; S99-K101 WeakPolarHBondContact OG-CB 3.38Å; S99-K101 PolarHBondContact OG-N 2.79Å; S99-G102 WeakPolarHBondContact CB-O 3.43Å; S99-G102 PolarHBondContact O-N 2.84Å; S99-E233 WeakPolarHBondContact CA-OE1 3.32Å; S99-E233 WeakPolarHBondContact CA-OE2 3.48Å; S99-E233 VanDerWaalsContact CB-OE1 3.26Å; S99-E233 WeakPolarHBondContact CB-OE1 3.38Å; S99-E233 PolarHBondContact OG-OE1 3.17Å
100	V	97.7	Very high	96.9	Very high	43 Å²	43	69.6 Å²	69.6	26%	0.261	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-14.1	164.9	-60	0	0	0	0	113	G102 K218 E233	V100-G102 VanDerWaalsContact C-N 3.32Å; V100-K218 HydrophobicContact CG1-CB 3.95Å; V100-K218 HydrophobicContact CG1-CD 4.11Å; V100-K218 HydrophobicContact CG1-CG 4.05Å; V100-E233 WeakPolarHBondContact CG1-OE2 3.4Å; V100-E233 HydrophobicContact CG2-CG 4.36Å; V100-E233 WeakPolarHBondContact CG2-OE2 3.27Å; V100-E233 PolarHBondContact N-OE1 2.91Å; V100-E233 PolarHBondContact N-OE2 3.32Å
101	K	97.3	Very high	96.9	Very high	134 Å²	134	63.6 Å²	63.6	58%	0.583	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	3.9	172.8	-62	-62.8	-169.6	174.4	0	113.4	S99 P114	S99-K101 PolarHBondContact O-N 2.86Å; S99-K101 VanDerWaalsContact O-N 3.13Å; S99-K101 WeakPolarHBondContact OG-CB 3.38Å; S99-K101 PolarHBondContact OG-N 2.79Å; K101-P114 HydrophobicContact CB-CB 3.81Å; K101-P114 HydrophobicContact CB-CG 3.97Å; K101-P114 HydrophobicContact CG-CB 4.06Å; K101-P114 HydrophobicContact CG-CG 3.94Å
102	G	97.4	Very high	96.9	Very high	41 Å²	41	63 Å²	63	42%	0.423	38%	0.376	S	S	.	.	B	Isolated β-bridge	trans	87.3	-156.5	-176.3	0	0	0	0	0	112.3	S99 V100 Y104	S99-G102 WeakPolarHBondContact CB-O 3.43Å; S99-G102 PolarHBondContact O-N 2.84Å; V100-G102 VanDerWaalsContact C-N 3.32Å; G102-Y104 PolarHBondContact O-N 3.24Å
103	G	98	Very high	97.1	Very high	74 Å²	74	59.8 Å²	59.8	76%	0.763	36%	0.361	S	S	*	.	S	Bend	trans	-66.4	122.7	178.2	0	0	0	0	0	111.6	N89	N89-G103 WeakPolarHBondContact OD1-CA 3.24Å
104	Y	98.3	Very high	97.2	Very high	13 Å²	13	55 Å²	55	5%	0.051	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-96.3	155	172.4	53.8	-97.2	0	0	0	111.2	F88 N89 R97 G102 V106 P111 P131 W231	F88-Y104 HydrophobicContact CB-CE2 3.97Å; F88-Y104 HydrophobicContact CD1-CE2 4.2Å; F88-Y104 HydrophobicContact CG-CE2 4.36Å; N89-Y104 PolarHBondContact N-OH 2.8Å; N89-Y104 PolarHBondContact ND2-O 3.29Å; N89-Y104 WeakPolarHBondContact OD1-CD1 3.11Å; N89-Y104 WeakPolarHBondContact OD1-CE1 3.26Å; N89-Y104 PolarHBondContact OD1-N 3.02Å; R97-Y104 WeakPolarHBondContact O-CE1 3.42Å; R97-Y104 VanDerWaalsContact O-CZ 3.29Å; R97-Y104 PolarHBondContact O-OH 2.87Å; G102-Y104 PolarHBondContact O-N 3.24Å; Y104-V106 HydrophobicContact CD2-CG2 4.41Å; Y104-V106 HydrophobicContact CE2-CG2 4.26Å; Y104-P111 HydrophobicContact CD2-CB 3.77Å; Y104-P111 HydrophobicContact CE2-CB 3.46Å; Y104-P111 VanDerWaalsContact CE2-CB 3.46Å; Y104-P131 HydrophobicContact CE1-CG 4.15Å; Y104-W231 AromaticContact CD1-CH2 3.7Å; Y104-W231 HydrophobicContact CD1-CH2 3.7Å; Y104-W231 AromaticContact CD1-CZ2 3.63Å; Y104-W231 HydrophobicContact CD1-CZ2 3.63Å; Y104-W231 AromaticContact CD2-CH2 3.92Å; Y104-W231 HydrophobicContact CD2-CH2 3.92Å; Y104-W231 HydrophobicContact CE1-CH2 4.04Å; Y104-W231 AromaticContact CE1-CZ2 3.97Å; Y104-W231 HydrophobicContact CE1-CZ2 3.97Å; Y104-W231 HydrophobicContact CE2-CH2 4.27Å; Y104-W231 AromaticContact CG-CH2 3.63Å; Y104-W231 HydrophobicContact CG-CH2 3.63Å; Y104-W231 HydrophobicContact CG-CZ2 4Å
105	K	98.1	Very high	97.2	Very high	162 Å²	162	54.9 Å²	54.9	70%	0.704	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-72.9	147.5	178.7	-62.8	-176.9	179.5	-175.8	0	110.5	P111 M112	K105-P111 CarbonylContact O-C 3.54Å; K105-M112 HydrophobicContact CB-CB 4.26Å; K105-M112 HydrophobicContact CB-CG 4.27Å; K105-M112 PolarHBondContact O-N 3.17Å
106	V	97	Very high	96.9	Very high	61 Å²	61	54.8 Å²	54.8	37%	0.37	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	122.9	168.4	-177.8	0	0	0	0	106.8	F88 Y104 R110	F88-V106 HydrophobicContact CB-CG2 3.74Å; F88-V106 HydrophobicContact CD2-CB 4.49Å; F88-V106 HydrophobicContact CD2-CG1 3.85Å; F88-V106 HydrophobicContact CD2-CG2 3.79Å; F88-V106 HydrophobicContact CE2-CG1 4.06Å; F88-V106 HydrophobicContact CG-CG2 3.85Å; Y104-V106 HydrophobicContact CD2-CG2 4.41Å; Y104-V106 HydrophobicContact CE2-CG2 4.26Å; V106-R110 CarbonylContact C-O 3.59Å; V106-R110 VanDerWaalsContact CA-O 3.3Å; V106-R110 WeakPolarHBondContact CA-O 3.3Å
107	V	95.2	Very high	96.7	Very high	90 Å²	90	58.2 Å²	58.2	55%	0.545	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	126.1	-175.7	-179.9	0	0	0	0	108.2	G109 R110 M112	V107-G109 PolarHBondContact O-N 2.87Å; V107-R110 PolarHBondContact N-O 3.02Å; V107-R110 PolarHBondContact O-N 3.36Å; V107-M112 HydrophobicContact CB-CG 4.2Å; V107-M112 HydrophobicContact CB-SD 4.24Å; V107-M112 HydrophobicContact CG2-CG 3.85Å; V107-M112 HydrophobicContact CG2-SD 4.44Å
108	G	92.8	Very high	96.5	Very high	81 Å²	81	57.6 Å²	57.6	84%	0.835	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	37.3	-176.9	0	0	0	0	0	113	R110	G108-R110 PolarHBondContact O-N 3.42Å
109	G	93.9	Very high	96.3	Very high	41 Å²	41	52.3 Å²	52.3	42%	0.423	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	76	-2.9	-176.8	0	0	0	0	0	115.4	L81 F88 V107	L81-G109 VanDerWaalsContact CD1-O 3.27Å; L81-G109 WeakPolarHBondContact CD1-O 3.27Å; F88-G109 VanDerWaalsContact CE2-O 3.32Å; F88-G109 WeakPolarHBondContact CE2-O 3.49Å; V107-G109 PolarHBondContact O-N 2.87Å
110	R	96.5	Very high	96.3	Very high	74 Å²	74	51.6 Å²	51.6	28%	0.279	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	136.6	-177.3	-68	173.2	171.6	-149	-8.7	112	E67 L81 V106 V107 G108 W129	E67-R110 IonicContact OE1-CZ 2.89Å; E67-R110 VanDerWaalsContact OE1-CZ 3.23Å; E67-R110 IonicContact OE1-NH1 3.76Å; E67-R110 PolarHBondContact OE1-NH1 2.81Å; E67-R110 IonicContact OE1-NH2 3.76Å; E67-R110 PolarHBondContact OE1-NH2 2.86Å; E67-R110 IonicContact OE2-CZ 3.73Å; E67-R110 IonicContact OE2-NH1 2.76Å; E67-R110 PolarHBondContact OE2-NH1 2.7Å; L81-R110 HydrophobicContact CD1-CG 3.73Å; V106-R110 CarbonylContact C-O 3.59Å; V106-R110 VanDerWaalsContact CA-O 3.3Å; V106-R110 WeakPolarHBondContact CA-O 3.3Å; V107-R110 PolarHBondContact N-O 3.02Å; V107-R110 PolarHBondContact O-N 3.36Å; G108-R110 PolarHBondContact O-N 3.42Å; R110-W129 HydrophobicContact CG-CZ3 4.31Å
111	P	97.9	Very high	96.2	Very high	0 Å²	0	51 Å²	51	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	150	175.8	31.6	-35.1	0	0	0	110.3	F88 Y104 K105 W129 N229 W231	F88-P111 HydrophobicContact CD1-CB 4.06Å; F88-P111 HydrophobicContact CD1-CG 4.15Å; F88-P111 HydrophobicContact CE1-CB 4.08Å; F88-P111 HydrophobicContact CE1-CG 3.67Å; F88-P111 HydrophobicContact CZ-CG 4.21Å; Y104-P111 HydrophobicContact CD2-CB 3.77Å; Y104-P111 HydrophobicContact CE2-CB 3.46Å; Y104-P111 VanDerWaalsContact CE2-CB 3.46Å; K105-P111 CarbonylContact O-C 3.54Å; P111-W129 HydrophobicContact CG-CB 3.96Å; P111-N229 VanDerWaalsContact CG-O 3.32Å; P111-N229 WeakPolarHBondContact CG-O 3.31Å; P111-N229 VanDerWaalsContact O-CA 3.27Å; P111-N229 WeakPolarHBondContact O-CA 3.14Å; P111-N229 PolarHBondContact O-ND2 3.26Å; P111-W231 HydrophobicContact CB-CH2 4.46Å; P111-W231 HydrophobicContact CB-CZ3 4.41Å
112	M	98	Very high	96.3	Very high	63 Å²	63	44.6 Å²	44.6	31%	0.31	30%	0.295	S	S	.	.			trans	-110	126.2	-179.7	-61.2	-56	-58.3	0	0	110.5	K105 V107 D228	K105-M112 HydrophobicContact CB-CB 4.26Å; K105-M112 HydrophobicContact CB-CG 4.27Å; K105-M112 PolarHBondContact O-N 3.17Å; V107-M112 HydrophobicContact CB-CG 4.2Å; V107-M112 HydrophobicContact CB-SD 4.24Å; V107-M112 HydrophobicContact CG2-CG 3.85Å; V107-M112 HydrophobicContact CG2-SD 4.44Å; M112-D228 CarbonylContact C-O 3.59Å; M112-D228 WeakPolarHBondContact CA-O 3.47Å
113	N	98.3	Very high	96.2	Very high	8 Å²	8	42.8 Å²	42.8	4%	0.043	28%	0.276	C	S	.	.			trans	-56.3	120.4	179.2	-172.7	-30.8	0	0	0	110.8	A115 G116 T118 Y220 T227 D228 W231	N113-A115 PolarHBondContact O-N 3.15Å; N113-A115 VanDerWaalsContact O-N 3.16Å; N113-A115 WeakPolarHBondContact OD1-CB 3.3Å; N113-A115 PolarHBondContact OD1-N 3.3Å; N113-G116 WeakPolarHBondContact O-CA 3.39Å; N113-G116 PolarHBondContact O-N 2.78Å; N113-T118 WeakPolarHBondContact ND2-CG2 3.32Å; N113-Y220 PolarHBondContact ND2-OH 3.37Å; N113-Y220 VanDerWaalsContact OD1-CE2 3.26Å; N113-Y220 WeakPolarHBondContact OD1-CE2 3.37Å; N113-Y220 PolarHBondContact OD1-OH 3.31Å; N113-T227 WeakPolarHBondContact CB-O 3.2Å; N113-T227 PolarHBondContact ND2-O 3.15Å; N113-D228 WeakPolarHBondContact CB-O 3.36Å; N113-D228 PolarHBondContact N-O 3.38Å; N113-W231 HydrophobicContact CB-CE3 3.86Å; N113-W231 HydrophobicContact CB-CZ3 4.3Å
114	P	97.7	Very high	96.2	Very high	53 Å²	53	39.3 Å²	39.3	34%	0.344	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-16.4	-175.2	27.6	-35.6	0	0	0	112.9	K101 G116 Y220 W231	K101-P114 HydrophobicContact CB-CB 3.81Å; K101-P114 HydrophobicContact CB-CG 3.97Å; K101-P114 HydrophobicContact CG-CB 4.06Å; K101-P114 HydrophobicContact CG-CG 3.94Å; P114-G116 VanDerWaalsContact C-N 3.3Å; P114-Y220 HydrophobicContact CG-CD2 4.28Å; P114-Y220 HydrophobicContact CG-CE2 4.29Å; P114-W231 HydrophobicContact CG-CD2 4.48Å; P114-W231 HydrophobicContact CG-CZ2 3.96Å
115	A	94.8	Very high	96.2	Very high	38 Å²	38	41.3 Å²	41.3	31%	0.314	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-18.7	171.3	0	0	0	0	0	112.8	S29 N113 Y220	S29-A115 VanDerWaalsContact CB-O 3.25Å; S29-A115 WeakPolarHBondContact CB-O 3.07Å; N113-A115 PolarHBondContact O-N 3.15Å; N113-A115 VanDerWaalsContact O-N 3.16Å; N113-A115 WeakPolarHBondContact OD1-CB 3.3Å; N113-A115 PolarHBondContact OD1-N 3.3Å; A115-Y220 HydrophobicContact CB-CE1 3.93Å; A115-Y220 HydrophobicContact CB-CE2 3.83Å; A115-Y220 VanDerWaalsContact CB-CZ 3.49Å; A115-Y220 WeakPolarHBondContact CB-OH 3.3Å
116	G	93	Very high	96.2	Very high	32 Å²	32	33.8 Å²	33.8	33%	0.33	22%	0.218	S	C	.	.			trans	106.5	-165.1	-178.3	0	0	0	0	0	113.5	N113 P114 T118	N113-G116 WeakPolarHBondContact O-CA 3.39Å; N113-G116 PolarHBondContact O-N 2.78Å; P114-G116 VanDerWaalsContact C-N 3.3Å; G116-T118 PolarHBondContact O-N 2.82Å
117	R	93.4	Very high	96.2	Very high	76 Å²	76	33.3 Å²	33.3	29%	0.287	21%	0.214	S	C	.	.			trans	-63.6	125.1	-177.6	-68.7	174	177.5	175.2	-7.9	112.5	S29 L57 N60 Y63	S29-R117 WeakPolarHBondContact CB-O 3.48Å; S29-R117 PolarHBondContact N-O 2.76Å; S29-R117 PolarHBondContact OG-O 2.97Å; L57-R117 HydrophobicContact CD2-CB 4.35Å; L57-R117 HydrophobicContact CG-CB 4.27Å; L57-R117 PolarHBondContact O-NH1 2.67Å; N60-R117 PolarHBondContact O-NH1 2.71Å; N60-R117 PolarHBondContact O-NH2 2.92Å; Y63-R117 HydrophobicContact CD1-CG 4.1Å; Y63-R117 HydrophobicContact CE1-CB 4.17Å; Y63-R117 HydrophobicContact CE1-CG 3.63Å; Y63-R117 HydrophobicContact CE2-CB 4.04Å; Y63-R117 HydrophobicContact CE2-CG 4.22Å
118	T	94.8	Very high	96.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	19%	0.191	C	C	.	.			trans	-104.6	-5.2	-178.9	72.6	0	0	0	0	113	V28 S29 R49 N113 G116 I120 T227 D228	V28-T118 VanDerWaalsContact CG1-C 3.49Å; V28-T118 WeakPolarHBondContact CG1-O 3.1Å; S29-T118 WeakPolarHBondContact O-CA 3.06Å; S29-T118 WeakPolarHBondContact O-CG2 3.2Å; R49-T118 WeakPolarHBondContact CD-O 3.17Å; R49-T118 PolarHBondContact NH1-O 3.05Å; R49-T118 PolarHBondContact NH1-OG1 3.29Å; N113-T118 WeakPolarHBondContact ND2-CG2 3.32Å; G116-T118 PolarHBondContact O-N 2.82Å; T118-I120 PolarHBondContact OG1-O 3.24Å; T118-T227 WeakPolarHBondContact CG2-O 3.2Å; T118-T227 WeakPolarHBondContact OG1-CA 3.46Å; T118-D228 WeakPolarHBondContact CA-OD1 3.32Å; T118-D228 WeakPolarHBondContact CB-OD1 3.37Å; T118-D228 PolarHBondContact N-OD1 3.27Å; T118-D228 PolarHBondContact OG1-N 3.46Å; T118-D228 PolarHBondContact OG1-OD1 3.4Å
119	G	94.5	Very high	96.5	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	83.6	4.3	179.7	0	0	0	0	0	115	R49 E50 Y63 P65 P66	R49-G119 CarbonylContact C-O 3.57Å; R49-G119 WeakPolarHBondContact CA-O 3.3Å; E50-G119 PolarHBondContact N-O 2.92Å; E50-G119 WeakPolarHBondContact O-CA 3.45Å; Y63-G119 WeakPolarHBondContact OH-CA 3.41Å; Y63-G119 PolarHBondContact OH-N 2.86Å; P65-G119 WeakPolarHBondContact CB-O 3.45Å; P66-G119 WeakPolarHBondContact CD-O 3.44Å
120	I	97.3	Very high	96.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.131	C	C	.	.			trans	-140.4	133.3	175.1	-75.6	171.3	0	0	0	108.3	Y42 I47 R49 P66 T118 T227 D228	Y42-I120 HydrophobicContact CD2-CD1 3.7Å; Y42-I120 HydrophobicContact CG-CD1 4.16Å; I47-I120 HydrophobicContact CG2-CD1 3.99Å; I47-I120 HydrophobicContact CG2-CG1 4.3Å; R49-I120 HydrophobicContact CB-CD1 4.47Å; R49-I120 HydrophobicContact CB-CG1 4.41Å; R49-I120 HydrophobicContact CG-CD1 3.38Å; R49-I120 HydrophobicContact CG-CG1 3.64Å; P66-I120 HydrophobicContact CG-CG1 4.16Å; P66-I120 WeakPolarHBondContact O-CA 3.33Å; T118-I120 PolarHBondContact OG1-O 3.24Å; I120-T227 HydrophobicContact CB-CG2 4.45Å; I120-T227 HydrophobicContact CG2-CG2 3.76Å; I120-T227 CarbonylContact O-C 3.59Å; I120-T227 WeakPolarHBondContact O-CB 3.02Å; I120-D228 WeakPolarHBondContact O-CB 3.32Å; I120-D228 PolarHBondContact O-N 3.37Å
121	T	97.3	Very high	96.9	Very high	29 Å²	29	20.6 Å²	20.6	18%	0.178	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	168.9	168.6	51.7	0	0	0	0	111.1	P65 P66 E67 Y68 D228	P65-T121 HydrophobicContact CG-CG2 3.49Å; P65-T121 VanDerWaalsContact CG-CG2 3.49Å; P66-T121 PolarHBondContact O-N 3.14Å; E67-T121 VanDerWaalsContact OE2-C 3.28Å; E67-T121 WeakPolarHBondContact OE2-CB 3.06Å; E67-T121 PolarHBondContact OE2-OG1 2.9Å; Y68-T121 PolarHBondContact N-O 3.47Å; T121-D228 HydrophobicContact CG2-CB 3.98Å
122	G	97.5	Very high	96.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	92.5	-174.9	-174.5	0	0	0	0	0	112.5	E67 Y68 T227 N229	E67-G122 WeakPolarHBondContact OE1-CA 3.01Å; E67-G122 PolarHBondContact OE2-N 2.76Å; Y68-G122 CarbonylContact O-C 3.58Å; Y68-G122 WeakPolarHBondContact O-CA 3.41Å; G122-T227 VanDerWaalsContact O-CB 3.24Å; G122-T227 WeakPolarHBondContact O-CB 3.14Å; G122-T227 PolarHBondContact O-OG1 3.25Å; G122-N229 PolarHBondContact N-OD1 3.24Å
123	R	97	Very high	96.9	Very high	4 Å²	4	18.2 Å²	18.2	2%	0.015	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-22.9	-174.7	179.2	171.6	59.1	88.2	-0.5	112.8	Y68 S69 S70 D77 D79 L126 W129 A230	Y68-R123 PolarHBondContact O-N 2.9Å; S69-R123 PolarHBondContact OG-N 2.84Å; S70-R123 PolarHBondContact O-NH2 2.82Å; D77-R123 PolarHBondContact O-NE 2.92Å; D79-R123 IonicContact OD1-CZ 2.82Å; D79-R123 VanDerWaalsContact OD1-CZ 3.3Å; D79-R123 IonicContact OD1-NE 3.19Å; D79-R123 PolarHBondContact OD1-NE 3.26Å; D79-R123 VanDerWaalsContact OD1-NE 3.14Å; D79-R123 IonicContact OD1-NH2 3.94Å; D79-R123 PolarHBondContact OD1-NH2 2.72Å; D79-R123 IonicContact OD2-NH2 2.87Å; R123-L126 WeakPolarHBondContact CD-O 3.28Å; R123-L126 WeakPolarHBondContact CG-O 3.26Å; R123-L126 PolarHBondContact NH1-O 2.88Å; R123-L126 PolarHBondContact O-N 3.01Å; R123-W129 HydrophobicContact CB-CD2 4.16Å; R123-W129 HydrophobicContact CB-CE3 4.34Å; R123-W129 HydrophobicContact CB-CH2 4.32Å; R123-W129 HydrophobicContact CB-CZ2 4.11Å; R123-W129 HydrophobicContact CB-CZ3 4.43Å; R123-A230 HydrophobicContact CG-CB 4.38Å
124	G	97.3	Very high	96.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	62.1	-135.7	-170.1	0	0	0	0	0	112.1	Y68 S70	Y68-G124 WeakPolarHBondContact O-CA 3.5Å; Y68-G124 PolarHBondContact O-N 2.92Å; S70-G124 PolarHBondContact N-O 3.16Å
125	D	97.2	Very high	97	Very high	55 Å²	55	16.3 Å²	16.3	29%	0.294	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	3.6	178	-63.4	-27.6	0	0	0	113.5	Y42 Y68 S70 L73	Y42-D125 HydrophobicContact CE1-CB 4.21Å; Y42-D125 WeakPolarHBondContact CE1-OD2 3.27Å; Y42-D125 PolarHBondContact OH-N 2.81Å; Y68-D125 PolarHBondContact OH-OD1 3.44Å; S70-D125 WeakPolarHBondContact CB-OD1 3.47Å; L73-D125 WeakPolarHBondContact CD1-O 3.36Å
126	L	98	Very high	97.1	Very high	4 Å²	4	14.5 Å²	14.5	2%	0.021	8%	0.078	C	C	.	.			trans	-78.1	148.9	179.7	-67.5	178.9	0	0	0	110.9	R123 N132 Y173 L225 A230 V232	R123-L126 WeakPolarHBondContact CD-O 3.28Å; R123-L126 WeakPolarHBondContact CG-O 3.26Å; R123-L126 PolarHBondContact NH1-O 2.88Å; R123-L126 PolarHBondContact O-N 3.01Å; L126-N132 HydrophobicContact CD1-CB 4.45Å; L126-N132 HydrophobicContact CD2-CB 4.22Å; L126-Y173 HydrophobicContact CD2-CE1 4.11Å; L126-L225 HydrophobicContact CD2-CB 4.24Å; L126-L225 HydrophobicContact CD2-CD1 4.38Å; L126-L225 HydrophobicContact CG-CB 4.42Å; L126-A230 HydrophobicContact CB-CB 4.18Å; L126-A230 HydrophobicContact CD1-CB 3.76Å; L126-V232 HydrophobicContact CD1-CG2 4.18Å; L126-V232 HydrophobicContact CD2-CG2 3.75Å
127	L	97.4	Very high	97.4	Very high	52 Å²	52	13.2 Å²	13.2	27%	0.272	6%	0.064	S	C	.	.	S	Bend	trans	-76.6	-27.2	-175.5	-65.4	-179.9	0	0	0	113.7	L73 A76 D77 N132	L73-L127 HydrophobicContact CB-CD2 4.03Å; L73-L127 HydrophobicContact CD1-CD2 4.45Å; A76-L127 CarbonylContact C-O 3.57Å; A76-L127 WeakPolarHBondContact CA-O 3.32Å; A76-L127 HydrophobicContact CB-CD2 3.99Å; D77-L127 PolarHBondContact N-O 2.88Å; L127-N132 PolarHBondContact N-OD1 3.46Å
128	R	97.8	Very high	97.6	Very high	18 Å²	18	10.1 Å²	10.1	7%	0.068	5%	0.053	C	C	.	.	S	Bend	trans	-114.6	141.9	-172.8	-49.5	-65.3	165.9	-126.8	1.2	111.4	S75 D77 N132 D175 A230	S75-R128 PolarHBondContact O-NH1 3.24Å; S75-R128 PolarHBondContact O-NH2 2.81Å; D77-R128 IonicContact OD1-NH1 3.41Å; D77-R128 VanDerWaalsContact OD2-CA 3.31Å; D77-R128 WeakPolarHBondContact OD2-CA 3.27Å; R128-N132 PolarHBondContact N-OD1 2.81Å; R128-N132 PolarHBondContact O-ND2 2.95Å; R128-D175 IonicContact CZ-OD1 2.78Å; R128-D175 IonicContact NE-OD1 2.71Å; R128-D175 PolarHBondContact NE-OD1 2.8Å; R128-D175 IonicContact NH2-OD1 3.11Å; R128-D175 PolarHBondContact NH2-OD1 2.86Å; R128-D175 IonicContact NH2-OD2 3.14Å; R128-D175 PolarHBondContact NH2-OD2 3.46Å; R128-A230 WeakPolarHBondContact O-CB 3.48Å
129	W	97.9	Very high	97.6	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.055	C	C	.	.	S	Bend	trans	-68.2	129.6	156.4	-68.4	97	0	0	0	109	D77 P78 D79 L81 F88 R97 R110 P111 R123 N229	D77-W129 VanDerWaalsContact CB-CD1 3.47Å; D77-W129 PolarHBondContact OD2-N 2.5Å; P78-W129 PolarHBondContact O-NE1 2.64Å; D79-W129 WeakPolarHBondContact O-CZ2 3.32Å; L81-W129 HydrophobicContact CD1-CD2 4.02Å; L81-W129 HydrophobicContact CD1-CE3 4.34Å; L81-W129 HydrophobicContact CD1-CG 4.33Å; L81-W129 HydrophobicContact CD1-CZ2 4.42Å; L81-W129 HydrophobicContact CD2-CD2 4.4Å; L81-W129 HydrophobicContact CD2-CG 4.2Å; L81-W129 HydrophobicContact CG-CD2 4.47Å; L81-W129 HydrophobicContact CG-CZ2 4.3Å; F88-W129 HydrophobicContact CE1-CB 3.86Å; F88-W129 HydrophobicContact CZ-CB 4.3Å; R97-W129 PolarHBondContact NH1-O 2.84Å; R110-W129 HydrophobicContact CG-CZ3 4.31Å; P111-W129 HydrophobicContact CG-CB 3.96Å; R123-W129 HydrophobicContact CB-CD2 4.16Å; R123-W129 HydrophobicContact CB-CE3 4.34Å; R123-W129 HydrophobicContact CB-CH2 4.32Å; R123-W129 HydrophobicContact CB-CZ2 4.11Å; R123-W129 HydrophobicContact CB-CZ3 4.43Å; W129-N229 HydrophobicContact CE3-CB 3.59Å; W129-N229 HydrophobicContact CZ3-CB 3.5Å
130	G	98.4	Very high	97.6	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	89.7	-140.9	-175.7	0	0	0	0	0	113.1	N132 N229 A230 W231	G130-N132 PolarHBondContact O-ND2 3.02Å; G130-N132 VanDerWaalsContact O-ND2 3.16Å; G130-N229 PolarHBondContact N-O 3.03Å; G130-A230 CarbonylContact O-C 3.59Å; G130-A230 VanDerWaalsContact O-CA 3.28Å; G130-A230 WeakPolarHBondContact O-CA 3.35Å; G130-W231 VanDerWaalsContact CA-CZ3 3.49Å; G130-W231 PolarHBondContact O-N 3Å
131	P	98.7	Very high	97.4	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.006	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	138.7	-177.6	29.8	-33.4	0	0	0	111.8	R97 Y104 W231 E233	R97-P131 WeakPolarHBondContact O-CG 3.47Å; Y104-P131 HydrophobicContact CE1-CG 4.15Å; P131-W231 CarbonylContact C-O 3.58Å; P131-W231 WeakPolarHBondContact CA-O 3.43Å; P131-W231 HydrophobicContact CB-CZ2 4.16Å; P131-W231 HydrophobicContact CG-CZ2 4.33Å; P131-E233 HydrophobicContact CB-CG 4.36Å
132	N	98.8	Very high	97.1	Very high	6 Å²	6	18.1 Å²	18.1	3%	0.032	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	116.8	172.3	-74.3	-106.7	0	0	0	107.6	L126 L127 R128 G130 Y173 W231 V232 E233	L126-N132 HydrophobicContact CD1-CB 4.45Å; L126-N132 HydrophobicContact CD2-CB 4.22Å; L127-N132 PolarHBondContact N-OD1 3.46Å; R128-N132 PolarHBondContact N-OD1 2.81Å; R128-N132 PolarHBondContact O-ND2 2.95Å; G130-N132 PolarHBondContact O-ND2 3.02Å; G130-N132 VanDerWaalsContact O-ND2 3.16Å; N132-Y173 HydrophobicContact CB-CD1 4.42Å; N132-Y173 HydrophobicContact CB-CE1 4.21Å; N132-W231 PolarHBondContact N-O 3.45Å; N132-V232 WeakPolarHBondContact O-CA 3.47Å; N132-E233 PolarHBondContact O-N 3.4Å
133	H	98.6	Very high	96.7	Very high	7 Å²	7	21.6 Å²	21.6	3%	0.032	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	132.6	-168.8	-63.3	-66.2	0	0	0	112.1	D96 R98 Y173 V174 P177 E233	D96-H133 PolarHBondContact O-CD2 3.13Å; D96-H133 PolarHBondContact O-NE2 2.94Å; R98-H133 PolarHBondContact O-CE1 2.98Å; R98-H133 VanDerWaalsContact O-CE1 3.27Å; R98-H133 PolarHBondContact O-NE2 2.83Å; H133-Y173 CarbonylContact O-C 3.58Å; H133-Y173 VanDerWaalsContact O-CA 3.27Å; H133-Y173 WeakPolarHBondContact O-CA 3.47Å; H133-V174 HydrophobicContact CB-CG2 4.32Å; H133-V174 PolarHBondContact O-N 3.29Å; H133-P177 HydrophobicContact CB-CB 4.09Å; H133-P177 HydrophobicContact CB-CG 3.91Å; H133-E233 CarbonylContact C-O 3.57Å; H133-E233 WeakPolarHBondContact CA-O 3.07Å; H133-E233 IonicContact CE1-OE2 3.34Å
134	I	98.6	Very high	96.3	Very high	20 Å²	20	23.8 Å²	23.8	10%	0.103	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	120.2	166.8	-63.9	178.3	0	0	0	107.8	C171 S172 Y173 V232 E233 K234 T235	I134-C171 HydrophobicContact CG2-CB 3.9Å; I134-S172 WeakPolarHBondContact CA-O 3.47Å; I134-Y173 HydrophobicContact CD1-CD1 4.4Å; I134-Y173 HydrophobicContact CD1-CE1 3.93Å; I134-Y173 HydrophobicContact CD1-CE2 4.23Å; I134-Y173 HydrophobicContact CG1-CD1 3.68Å; I134-Y173 HydrophobicContact CG1-CD2 4.44Å; I134-Y173 HydrophobicContact CG1-CE1 3.66Å; I134-Y173 HydrophobicContact CG1-CE2 4.41Å; I134-Y173 HydrophobicContact CG1-CG 4.09Å; I134-V232 HydrophobicContact CD1-CG1 3.45Å; I134-V232 VanDerWaalsContact CD1-CG1 3.45Å; I134-V232 HydrophobicContact CG1-CG1 3.85Å; I134-E233 PolarHBondContact N-O 2.78Å; I134-K234 HydrophobicContact CB-CG 4.3Å; I134-K234 HydrophobicContact CG2-CG 4.23Å; I134-K234 WeakPolarHBondContact O-CA 3.48Å; I134-T235 PolarHBondContact O-N 2.77Å
135	S	98.5	Very high	95.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	136.1	170.5	-172	0	0	0	0	109.3	C171 S172 P182 W237	S135-C171 VanDerWaalsContact O-CA 3.3Å; S135-C171 WeakPolarHBondContact O-CA 3.02Å; S135-S172 PolarHBondContact N-O 3.42Å; S135-S172 PolarHBondContact O-N 2.86Å; S135-S172 VanDerWaalsContact O-N 3.09Å; S135-P182 WeakPolarHBondContact O-CB 3.45Å; S135-W237 PolarHBondContact OG-NE1 2.97Å
136	C	98.4	Very high	95.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	143	178.9	-63.8	0	0	0	0	111.3	I169 P170 C171 K234 T235 I236 W237	C136-I169 HydrophobicContact CB-CD1 3.88Å; C136-I169 HydrophobicContact CB-CG1 4.41Å; C136-P170 CarbonylContact C-O 3.43Å; C136-P170 WeakPolarHBondContact CA-O 3.42Å; C136-C171 HydrophobicContact CB-CB 4.14Å; C136-C171 WeakPolarHBondContact CB-SG 3.31Å; C136-C171 WeakPolarHBondContact SG-CB 3.4Å; C136-C171 CovalentContact SG-SG 2.03Å; C136-C171 PolarHBondContact SG-SG 3.39Å; C136-K234 WeakPolarHBondContact SG-CE 3.48Å; C136-T235 PolarHBondContact N-O 2.66Å; C136-I236 HydrophobicContact CB-CG1 4.17Å; C136-W237 WeakPolarHBondContact O-CB 3.35Å; C136-W237 PolarHBondContact O-N 2.96Å
137	I	97.6	Very high	95.6	Very high	6 Å²	6	38.4 Å²	38.4	3%	0.031	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	111.3	179.9	-71.8	175.8	0	0	0	108.9	L139 P170 M181 P182 L186 F210 L239	I137-L139 VanDerWaalsContact C-N 3.34Å; I137-L139 HydrophobicContact CG2-CB 3.64Å; I137-L139 PolarHBondContact O-N 2.67Å; I137-P170 PolarHBondContact N-O 3.18Å; I137-P170 WeakPolarHBondContact O-CD 3.26Å; I137-M181 HydrophobicContact CD1-CG 4.16Å; I137-P182 HydrophobicContact CD1-CG 3.6Å; I137-P182 HydrophobicContact CG1-CG 3.75Å; I137-L186 HydrophobicContact CD1-CD1 3.64Å; I137-L186 HydrophobicContact CD1-CD2 4.47Å; I137-L186 HydrophobicContact CD1-CG 4.41Å; I137-F210 HydrophobicContact CD1-CD2 3.81Å; I137-F210 HydrophobicContact CD1-CE2 4.13Å; I137-F210 HydrophobicContact CG1-CD2 4.23Å; I137-F210 HydrophobicContact CG1-CE2 4.23Å; I137-L239 HydrophobicContact CB-CD1 4.23Å; I137-L239 HydrophobicContact CD1-CD2 4.43Å; I137-L239 HydrophobicContact CG1-CD1 4.12Å; I137-L239 HydrophobicContact CG1-CD2 4.49Å; I137-L239 HydrophobicContact CG2-CD1 3.73Å; I137-L239 HydrophobicContact CG2-CD2 3.98Å; I137-L239 HydrophobicContact CG2-CG 4.33Å
138	D	97.5	Very high	95.4	Very high	11 Å²	11	36.2 Å²	36.2	6%	0.059	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	78.5	163.2	-179.3	2.2	0	0	0	108.1	R140 Q153 I236 W237 K238 L239	D138-R140 WeakPolarHBondContact OD1-CG 3.46Å; D138-R140 IonicContact OD1-CZ 3.91Å; D138-R140 IonicContact OD1-NE 3.15Å; D138-R140 PolarHBondContact OD1-NE 3.1Å; D138-R140 IonicContact OD1-NH2 2.7Å; D138-R140 IonicContact OD2-CZ 2.71Å; D138-R140 IonicContact OD2-NE 3.75Å; D138-R140 PolarHBondContact OD2-NE 3.44Å; D138-R140 IonicContact OD2-NH2 3.3Å; D138-R140 PolarHBondContact OD2-NH2 2.78Å; D138-Q153 VanDerWaalsContact CG-NE2 3.34Å; D138-Q153 PolarHBondContact OD1-NE2 3.21Å; D138-I236 HydrophobicContact CB-CG2 4.19Å; D138-W237 PolarHBondContact N-O 3.14Å; D138-K238 WeakPolarHBondContact O-CA 3.32Å; D138-L239 PolarHBondContact O-N 3.19Å
139	L	95.9	Very high	95.2	Very high	7 Å²	7	37.3 Å²	37.3	4%	0.037	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	126	176.6	178.6	66.9	0	0	0	109.8	I137 Q153 L154 I209 L239 E241 L247 W260	I137-L139 VanDerWaalsContact C-N 3.34Å; I137-L139 HydrophobicContact CG2-CB 3.64Å; I137-L139 PolarHBondContact O-N 2.67Å; L139-Q153 WeakPolarHBondContact O-CA 3.34Å; L139-L154 HydrophobicContact CB-CB 4.06Å; L139-L154 HydrophobicContact CB-CD2 4.42Å; L139-L154 HydrophobicContact CD2-CB 4.21Å; L139-L154 HydrophobicContact CD2-CD2 3.84Å; L139-L154 HydrophobicContact CG-CB 4.39Å; L139-L154 PolarHBondContact O-N 3.5Å; L139-I209 HydrophobicContact CD1-CG2 3.89Å; L139-L239 WeakPolarHBondContact CA-O 3.26Å; L139-L239 HydrophobicContact CD1-CB 3.69Å; L139-E241 HydrophobicContact CD1-CB 4.21Å; L139-L247 HydrophobicContact CD2-CD1 3.48Å; L139-L247 VanDerWaalsContact CD2-CD1 3.48Å; L139-W260 HydrophobicContact CD2-CH2 3.76Å; L139-W260 HydrophobicContact CD2-CZ2 4.37Å; L139-W260 HydrophobicContact CG-CH2 3.92Å; L139-W260 HydrophobicContact CG-CZ3 4.49Å
140	R	94.8	Very high	95	Very high	56 Å²	56	39.9 Å²	39.9	21%	0.211	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	150.1	178.9	-49.9	179.8	-174.4	-170.2	1.1	110.8	D138 L151 L152 Q153 L239 L240 E241	D138-R140 WeakPolarHBondContact OD1-CG 3.46Å; D138-R140 IonicContact OD1-CZ 3.91Å; D138-R140 IonicContact OD1-NE 3.15Å; D138-R140 PolarHBondContact OD1-NE 3.1Å; D138-R140 IonicContact OD1-NH2 2.7Å; D138-R140 IonicContact OD2-CZ 2.71Å; D138-R140 IonicContact OD2-NE 3.75Å; D138-R140 PolarHBondContact OD2-NE 3.44Å; D138-R140 IonicContact OD2-NH2 3.3Å; D138-R140 PolarHBondContact OD2-NH2 2.78Å; R140-L151 HydrophobicContact CB-CD1 4.04Å; R140-L152 WeakPolarHBondContact CA-O 3.11Å; R140-L152 VanDerWaalsContact CB-O 3.31Å; R140-L152 WeakPolarHBondContact CB-O 3.45Å; R140-Q153 HydrophobicContact CG-CB 4.49Å; R140-Q153 HydrophobicContact CG-CG 4.39Å; R140-L239 PolarHBondContact N-O 2.94Å; R140-L240 HydrophobicContact CB-CD2 3.95Å; R140-L240 WeakPolarHBondContact O-CA 3.45Å; R140-E241 PolarHBondContact O-N 3.06Å
141	R	92.8	Very high	94.8	Very high	21 Å²	21	41.1 Å²	41.1	8%	0.079	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	149.7	170.2	65.3	175.2	60.8	175.7	-8.2	109.4	L152 E241 N244 W260	R141-L152 HydrophobicContact CG-CB 3.85Å; R141-L152 HydrophobicContact CG-CD2 4.36Å; R141-L152 PolarHBondContact N-O 3.37Å; R141-L152 PolarHBondContact O-N 3.02Å; R141-E241 HydrophobicContact CB-CB 4.13Å; R141-E241 HydrophobicContact CB-CG 4.38Å; R141-E241 IonicContact CZ-OE1 2.68Å; R141-E241 IonicContact CZ-OE2 3.52Å; R141-E241 IonicContact NE-OE2 3.73Å; R141-E241 PolarHBondContact NE-OE2 2.92Å; R141-E241 VanDerWaalsContact NH2-CD 3.29Å; R141-E241 IonicContact NH2-OE1 2.85Å; R141-E241 PolarHBondContact NH2-OE1 2.8Å; R141-E241 VanDerWaalsContact NH2-OE1 3.15Å; R141-E241 IonicContact NH2-OE2 3.4Å; R141-E241 PolarHBondContact NH2-OE2 3.08Å; R141-N244 PolarHBondContact NH1-OD1 3.09Å; R141-N244 PolarHBondContact NH2-OD1 2.87Å; R141-W260 HydrophobicContact CB-CZ3 4.38Å; R141-W260 HydrophobicContact CG-CD2 4.48Å; R141-W260 HydrophobicContact CG-CE3 3.97Å; R141-W260 HydrophobicContact CG-CH2 4.09Å; R141-W260 HydrophobicContact CG-CZ3 3.73Å
142	E	90.7	Very high	94.6	Very high	113 Å²	113	41.9 Å²	41.9	53%	0.528	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	133.1	168.2	-70.4	-179.1	179.2	0	0	108.8	V149 Y150 L151	E142-V149 HydrophobicContact CB-CG1 4.45Å; E142-Y150 WeakPolarHBondContact CA-O 3.21Å; E142-L151 HydrophobicContact CG-CD1 3.6Å
143	I	89.2	Confident	94.5	Very high	72 Å²	72	42.1 Å²	42.1	37%	0.369	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	150.3	169.1	66.2	176	0	0	0	107.4	Y150 L152	I143-Y150 HydrophobicContact CG1-CD2 4.41Å; I143-Y150 PolarHBondContact N-O 3.27Å; I143-Y150 PolarHBondContact O-N 2.99Å; I143-L152 HydrophobicContact CD1-CD1 3.88Å; I143-L152 HydrophobicContact CD1-CD2 3.64Å; I143-L152 HydrophobicContact CD1-CG 4.45Å; I143-L152 HydrophobicContact CG1-CD1 3.72Å; I143-L152 HydrophobicContact CG1-CD2 4.21Å
144	G	87.8	Confident	94.4	Very high	50 Å²	50	41.8 Å²	41.8	52%	0.515	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	160.5	179.6	0	0	0	0	0	111.6	A148	G144-A148 VanDerWaalsContact CA-O 3.29Å; G144-A148 WeakPolarHBondContact CA-O 3.12Å
145	N	90.1	Very high	94.3	Very high	82 Å²	82	43.4 Å²	43.4	44%	0.439	23%	0.225	S	C	.	.			trans	-131.8	-172.6	165.6	67.5	17.5	0	0	0	108.6	T147 A148 L268	N145-T147 PolarHBondContact O-N 3.44Å; N145-T147 PolarHBondContact OD1-N 2.87Å; N145-T147 PolarHBondContact OD1-OG1 3.21Å; N145-A148 PolarHBondContact N-O 3.05Å; N145-A148 PolarHBondContact OD1-N 2.77Å; N145-A148 PolarHBondContact OD1-O 3.3Å; N145-L268 WeakPolarHBondContact O-CD1 3.34Å
146	E	93.3	Very high	94.2	Very high	193 Å²	193	44.2 Å²	44.2	90%	0.902	23%	0.23	S	C	*	.	S	Bend	trans	-62.3	-14.5	-178.1	-57.7	-172.8	-173.2	0	0	114.7
147	T	94.4	Very high	94.1	Very high	91 Å²	91	46.9 Å²	46.9	56%	0.558	25%	0.246	S	C	*	.	S	Bend	trans	-109.2	-28.9	-174.1	63.4	0	0	0	0	113.7	N145 L268	N145-T147 PolarHBondContact O-N 3.44Å; N145-T147 PolarHBondContact OD1-N 2.87Å; N145-T147 PolarHBondContact OD1-OG1 3.21Å; T147-L268 PolarHBondContact O-N 2.71Å
148	A	94	Very high	93.8	Very high	6 Å²	6	53.5 Å²	53.5	5%	0.05	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	155.8	-171.8	0	0	0	0	0	113.2	G144 N145 Y150 I265 T266	G144-A148 VanDerWaalsContact CA-O 3.29Å; G144-A148 WeakPolarHBondContact CA-O 3.12Å; N145-A148 PolarHBondContact N-O 3.05Å; N145-A148 PolarHBondContact OD1-N 2.77Å; N145-A148 PolarHBondContact OD1-O 3.3Å; A148-Y150 HydrophobicContact CB-CE2 3.92Å; A148-I265 HydrophobicContact CB-CG2 3.94Å; A148-T266 CarbonylContact C-O 3.39Å; A148-T266 WeakPolarHBondContact CA-O 3.48Å
149	V	93.2	Very high	93.6	Very high	42 Å²	42	57.3 Å²	57.3	26%	0.255	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128.6	167.2	-178.2	0	0	0	0	109.8	E142 T266 L268	E142-V149 HydrophobicContact CB-CG1 4.45Å; V149-T266 PolarHBondContact N-O 2.89Å; V149-T266 PolarHBondContact O-N 3.18Å; V149-L268 HydrophobicContact CG2-CD2 3.89Å; V149-L268 HydrophobicContact CG2-CG 4.43Å
150	Y	93.1	Very high	93.2	Very high	54 Å²	54	59.7 Å²	59.7	21%	0.212	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	126.2	-179.7	-54.6	-98.4	0	0	0	109.9	E142 I143 A148 L152 I262 I265	E142-Y150 WeakPolarHBondContact CA-O 3.21Å; I143-Y150 HydrophobicContact CG1-CD2 4.41Å; I143-Y150 PolarHBondContact N-O 3.27Å; I143-Y150 PolarHBondContact O-N 2.99Å; A148-Y150 HydrophobicContact CB-CE2 3.92Å; Y150-L152 VanDerWaalsContact CB-CD1 3.47Å; Y150-L152 WeakPolarHBondContact O-CD1 3.48Å; Y150-I262 HydrophobicContact CD1-CD1 4.14Å; Y150-I262 HydrophobicContact CD1-CG2 4.39Å; Y150-I265 HydrophobicContact CD1-CB 4.48Å; Y150-I265 HydrophobicContact CD1-CD1 4.16Å; Y150-I265 HydrophobicContact CD1-CG1 3.82Å; Y150-I265 HydrophobicContact CD1-CG2 4.13Å; Y150-I265 HydrophobicContact CE1-CD1 4Å; Y150-I265 HydrophobicContact CE1-CG1 4.09Å; Y150-I265 HydrophobicContact CE1-CG2 3.92Å
151	L	94.2	Very high	92.6	Very high	25 Å²	25	62.7 Å²	62.7	13%	0.131	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	116.7	167.6	-176.1	66.6	0	0	0	108.8	R140 E142 I263 K264	R140-L151 HydrophobicContact CB-CD1 4.04Å; E142-L151 HydrophobicContact CG-CD1 3.6Å; L151-I263 HydrophobicContact CB-CG1 4.22Å; L151-I263 HydrophobicContact CD2-CD1 3.65Å; L151-I263 HydrophobicContact CD2-CG1 3.95Å; L151-I263 HydrophobicContact CG-CD1 3.88Å; L151-I263 HydrophobicContact CG-CG1 3.84Å; L151-I263 WeakPolarHBondContact O-CG1 3.34Å; L151-I263 PolarHBondContact O-N 3.43Å; L151-K264 HydrophobicContact CB-CB 3.96Å; L151-K264 HydrophobicContact CD2-CB 4.36Å; L151-K264 PolarHBondContact N-O 2.93Å; L151-K264 PolarHBondContact O-N 3.08Å
152	L	95.1	Very high	92.3	Very high	17 Å²	17	67 Å²	67	9%	0.089	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	149.2	179.4	-75.7	58	0	0	0	109.2	R140 R141 I143 Y150 W260 K261 I262	R140-L152 WeakPolarHBondContact CA-O 3.11Å; R140-L152 VanDerWaalsContact CB-O 3.31Å; R140-L152 WeakPolarHBondContact CB-O 3.45Å; R141-L152 HydrophobicContact CG-CB 3.85Å; R141-L152 HydrophobicContact CG-CD2 4.36Å; R141-L152 PolarHBondContact N-O 3.37Å; R141-L152 PolarHBondContact O-N 3.02Å; I143-L152 HydrophobicContact CD1-CD1 3.88Å; I143-L152 HydrophobicContact CD1-CD2 3.64Å; I143-L152 HydrophobicContact CD1-CG 4.45Å; I143-L152 HydrophobicContact CG1-CD1 3.72Å; I143-L152 HydrophobicContact CG1-CD2 4.21Å; Y150-L152 VanDerWaalsContact CB-CD1 3.47Å; Y150-L152 WeakPolarHBondContact O-CD1 3.48Å; L152-W260 HydrophobicContact CB-CB 4.4Å; L152-W260 HydrophobicContact CB-CE3 3.84Å; L152-W260 HydrophobicContact CD2-CB 3.94Å; L152-W260 HydrophobicContact CD2-CG 4.4Å; L152-W260 HydrophobicContact CG-CB 4.43Å; L152-K261 CarbonylContact C-O 3.49Å; L152-K261 WeakPolarHBondContact CA-O 3.11Å; L152-I262 HydrophobicContact CD1-CG1 4.12Å; L152-I262 HydrophobicContact CG-CG1 4.25Å
153	Q	96.3	Very high	92.3	Very high	11 Å²	11	64.2 Å²	64.2	5%	0.051	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	128.9	174.7	-174.7	-178	43.2	0	0	109.9	D138 L139 R140 R155 I169 K261 I263	D138-Q153 VanDerWaalsContact CG-NE2 3.34Å; D138-Q153 PolarHBondContact OD1-NE2 3.21Å; L139-Q153 WeakPolarHBondContact O-CA 3.34Å; R140-Q153 HydrophobicContact CG-CB 4.49Å; R140-Q153 HydrophobicContact CG-CG 4.39Å; Q153-R155 PolarHBondContact O-N 3.4Å; Q153-I169 HydrophobicContact CG-CG2 4.45Å; Q153-K261 PolarHBondContact N-O 3.22Å; Q153-K261 PolarHBondContact O-N 3.41Å; Q153-I263 HydrophobicContact CB-CD1 3.96Å; Q153-I263 HydrophobicContact CB-CG1 4.2Å; Q153-I263 HydrophobicContact CB-CG2 3.81Å
154	L	96.3	Very high	92.5	Very high	1 Å²	1	65.6 Å²	65.6	1%	0.005	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	127.3	175	-171.9	78	0	0	0	109.4	L139 P170 I189 V258 W260	L139-L154 HydrophobicContact CB-CB 4.06Å; L139-L154 HydrophobicContact CB-CD2 4.42Å; L139-L154 HydrophobicContact CD2-CB 4.21Å; L139-L154 HydrophobicContact CD2-CD2 3.84Å; L139-L154 HydrophobicContact CG-CB 4.39Å; L139-L154 PolarHBondContact O-N 3.5Å; L154-P170 HydrophobicContact CD2-CG 3.98Å; L154-I189 HydrophobicContact CD1-CD1 4.44Å; L154-I189 HydrophobicContact CD2-CD1 3.5Å; L154-I189 VanDerWaalsContact CD2-CD1 3.5Å; L154-I189 HydrophobicContact CG-CD1 4.44Å; L154-V258 HydrophobicContact CD1-CG1 3.48Å; L154-V258 VanDerWaalsContact CD1-CG1 3.48Å; L154-V258 HydrophobicContact CG-CG1 4.12Å; L154-W260 HydrophobicContact CB-CE3 4.08Å; L154-W260 HydrophobicContact CB-CH2 3.82Å; L154-W260 HydrophobicContact CB-CZ2 4.25Å; L154-W260 HydrophobicContact CB-CZ3 3.71Å; L154-W260 HydrophobicContact CD1-CD2 4.15Å; L154-W260 HydrophobicContact CD1-CE3 4.48Å; L154-W260 HydrophobicContact CD1-CH2 4.1Å; L154-W260 HydrophobicContact CD1-CZ2 3.64Å; L154-W260 HydrophobicContact CD1-CZ3 4.49Å; L154-W260 HydrophobicContact CG-CZ2 4.5Å; L154-W260 VanDerWaalsContact N-CZ3 3.32Å
155	R	97.5	Very high	92.8	Very high	54 Å²	54	67.5 Å²	67.5	20%	0.204	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	148.3	176.3	-64.6	-65.1	-172.4	142.1	-7.7	109.9	Q153 L167 T168 V258 V259 K261	Q153-R155 PolarHBondContact O-N 3.4Å; R155-L167 HydrophobicContact CB-CB 4.13Å; R155-L167 HydrophobicContact CB-CD2 4.4Å; R155-L167 HydrophobicContact CG-CB 4.41Å; R155-L167 PolarHBondContact NH1-O 3.48Å; R155-L167 VanDerWaalsContact NH1-O 3.1Å; R155-T168 CarbonylContact C-O 3.51Å; R155-T168 VanDerWaalsContact CA-O 3.25Å; R155-T168 WeakPolarHBondContact CA-O 3.43Å; R155-T168 WeakPolarHBondContact CD-O 3.41Å; R155-V258 CarbonylContact O-C 3.56Å; R155-V258 WeakPolarHBondContact O-CA 3.39Å; R155-V259 HydrophobicContact CB-CG2 3.83Å; R155-V259 PolarHBondContact N-O 3.09Å; R155-V259 PolarHBondContact O-N 3.5Å; R155-K261 HydrophobicContact CG-CB 3.87Å; R155-K261 HydrophobicContact CG-CD 4.46Å
156	V	96.6	Very high	93	Very high	16 Å²	16	66 Å²	66	10%	0.097	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	145	172	-62.5	0	0	0	0	109.7	T168 P170 N257 V258	V156-T168 HydrophobicContact CG2-CG2 3.81Å; V156-T168 PolarHBondContact N-O 2.97Å; V156-T168 PolarHBondContact O-N 3.01Å; V156-P170 HydrophobicContact CG1-CB 4.48Å; V156-P170 HydrophobicContact CG1-CG 3.91Å; V156-N257 CarbonylContact C-O 3.54Å; V156-N257 VanDerWaalsContact CA-O 3.31Å; V156-N257 WeakPolarHBondContact CA-O 3.17Å; V156-V258 HydrophobicContact CG1-CG1 4.42Å; V156-V258 HydrophobicContact CG1-CG2 4.28Å
157	V	95.1	Very high	93.2	Very high	56 Å²	56	60.5 Å²	60.5	34%	0.339	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	128.2	173	-179.7	0	0	0	0	108.7	T165 L167 N257	V157-T165 HydrophobicContact CG1-CG2 4.01Å; V157-L167 HydrophobicContact CG2-CD2 3.91Å; V157-N257 HydrophobicContact CB-CB 4.39Å; V157-N257 PolarHBondContact N-O 2.85Å
158	R	92.8	Very high	93.3	Very high	146 Å²	146	57.8 Å²	57.8	55%	0.551	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.4	126.1	173	177.7	-178.1	173.9	122.9	0.4	109.4	T165 V166 T168	R158-T165 CarbonylContact O-C 3.51Å; R158-T165 WeakPolarHBondContact O-CA 3.04Å; R158-V166 HydrophobicContact CB-CG2 4.19Å; R158-V166 PolarHBondContact N-O 2.68Å; R158-V166 PolarHBondContact O-N 2.85Å; R158-T168 HydrophobicContact CB-CG2 3.77Å
159	T	92.3	Very high	93.4	Very high	91 Å²	91	58.4 Å²	58.4	56%	0.558	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	128.8	170.9	-47.5	0	0	0	0	109.7
160	L	87.8	Confident	93.6	Very high	57 Å²	57	56.4 Å²	56.4	30%	0.298	31%	0.314	S	S	.	.			trans	-85.4	167.5	175.2	-59.8	-175.4	0	0	0	110.7	N162 G163 M164 V166	L160-N162 VanDerWaalsContact CB-OD1 3.3Å; L160-N162 WeakPolarHBondContact CB-OD1 3.46Å; L160-N162 PolarHBondContact O-N 3.39Å; L160-N162 VanDerWaalsContact O-N 3.15Å; L160-G163 PolarHBondContact O-N 2.77Å; L160-M164 WeakPolarHBondContact CB-O 3.36Å; L160-M164 HydrophobicContact CD1-CE 3.52Å; L160-M164 WeakPolarHBondContact CG-O 3.2Å; L160-M164 PolarHBondContact N-O 3.28Å; L160-V166 HydrophobicContact CD1-CG1 3.77Å; L160-V166 HydrophobicContact CD1-CG2 4.41Å; L160-V166 HydrophobicContact CD2-CG2 3.89Å; L160-V166 HydrophobicContact CG-CG1 4.16Å; L160-V166 HydrophobicContact CG-CG2 4.09Å
161	S	82.4	Confident	93.9	Very high	119 Å²	119	55.1 Å²	55.1	83%	0.832	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-22.1	-179	56.7	0	0	0	0	114	G163	S161-G163 VanDerWaalsContact C-N 3.28Å
162	N	85.9	Confident	94	Very high	112 Å²	112	54.7 Å²	54.7	60%	0.599	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	10.8	174.8	66.4	-9.3	0	0	0	113	L160 M164	L160-N162 VanDerWaalsContact CB-OD1 3.3Å; L160-N162 WeakPolarHBondContact CB-OD1 3.46Å; L160-N162 PolarHBondContact O-N 3.39Å; L160-N162 VanDerWaalsContact O-N 3.15Å; N162-M164 PolarHBondContact O-N 3.29Å; N162-M164 VanDerWaalsContact OD1-CB 3.3Å; N162-M164 WeakPolarHBondContact OD1-CB 3.4Å; N162-M164 PolarHBondContact OD1-N 2.89Å; N162-M164 VanDerWaalsContact OD1-N 3.17Å
163	G	90.3	Very high	94.2	Very high	53 Å²	53	58.4 Å²	58.4	55%	0.546	33%	0.325	S	S	.	.	S	Bend	trans	81.4	-10.6	-178.5	0	0	0	0	0	114.9	L160 S161	L160-G163 PolarHBondContact O-N 2.77Å; S161-G163 VanDerWaalsContact C-N 3.28Å
164	M	93.6	Very high	94.3	Very high	102 Å²	102	58.9 Å²	58.9	50%	0.502	33%	0.328	S	S	.	.			trans	-69.5	135.8	179.2	-174.3	174.6	63.7	0	0	111.3	L160 N162 V166	L160-M164 WeakPolarHBondContact CB-O 3.36Å; L160-M164 HydrophobicContact CD1-CE 3.52Å; L160-M164 WeakPolarHBondContact CG-O 3.2Å; L160-M164 PolarHBondContact N-O 3.28Å; N162-M164 PolarHBondContact O-N 3.29Å; N162-M164 VanDerWaalsContact OD1-CB 3.3Å; N162-M164 WeakPolarHBondContact OD1-CB 3.4Å; N162-M164 PolarHBondContact OD1-N 2.89Å; N162-M164 VanDerWaalsContact OD1-N 3.17Å; M164-V166 HydrophobicContact CE-CG1 3.97Å
165	T	94.1	Very high	94.3	Very high	89 Å²	89	61.5 Å²	61.5	55%	0.546	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	135.8	172.8	54	0	0	0	0	111.6	V157 R158	V157-T165 HydrophobicContact CG1-CG2 4.01Å; R158-T165 CarbonylContact O-C 3.51Å; R158-T165 WeakPolarHBondContact O-CA 3.04Å
166	V	95.6	Very high	94.4	Very high	50 Å²	50	59.6 Å²	59.6	30%	0.303	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	150.6	176.2	-61.7	0	0	0	0	111.6	R158 L160 M164	R158-V166 HydrophobicContact CB-CG2 4.19Å; R158-V166 PolarHBondContact N-O 2.68Å; R158-V166 PolarHBondContact O-N 2.85Å; L160-V166 HydrophobicContact CD1-CG1 3.77Å; L160-V166 HydrophobicContact CD1-CG2 4.41Å; L160-V166 HydrophobicContact CD2-CG2 3.89Å; L160-V166 HydrophobicContact CG-CG1 4.16Å; L160-V166 HydrophobicContact CG-CG2 4.09Å; M164-V166 HydrophobicContact CE-CG1 3.97Å
167	L	96.3	Very high	94.4	Very high	79 Å²	79	58.9 Å²	58.9	41%	0.414	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	111.3	173.3	-67	-179.2	0	0	0	111	R155 V157 V259	R155-L167 HydrophobicContact CB-CB 4.13Å; R155-L167 HydrophobicContact CB-CD2 4.4Å; R155-L167 HydrophobicContact CG-CB 4.41Å; R155-L167 PolarHBondContact NH1-O 3.48Å; R155-L167 VanDerWaalsContact NH1-O 3.1Å; V157-L167 HydrophobicContact CG2-CD2 3.91Å; L167-V259 HydrophobicContact CD1-CG2 3.97Å; L167-V259 HydrophobicContact CD2-CG2 3.72Å; L167-V259 HydrophobicContact CG-CG2 4.47Å
168	T	96.6	Very high	94.5	Very high	34 Å²	34	59.9 Å²	59.9	21%	0.209	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	160.8	178.4	-178.3	0	0	0	0	111.2	R155 V156 R158	R155-T168 CarbonylContact C-O 3.51Å; R155-T168 VanDerWaalsContact CA-O 3.25Å; R155-T168 WeakPolarHBondContact CA-O 3.43Å; R155-T168 WeakPolarHBondContact CD-O 3.41Å; V156-T168 HydrophobicContact CG2-CG2 3.81Å; V156-T168 PolarHBondContact N-O 2.97Å; V156-T168 PolarHBondContact O-N 3.01Å; R158-T168 HydrophobicContact CB-CG2 3.77Å
169	I	97.3	Very high	94.7	Very high	19 Å²	19	56 Å²	56	10%	0.097	33%	0.325	C	S	.	.			trans	-66.7	147.4	162.4	59.8	174.7	0	0	0	109.7	C136 Q153 C171 I236	C136-I169 HydrophobicContact CB-CD1 3.88Å; C136-I169 HydrophobicContact CB-CG1 4.41Å; Q153-I169 HydrophobicContact CG-CG2 4.45Å; I169-C171 PolarHBondContact O-N 3.22Å; I169-I236 HydrophobicContact CD1-CG2 4.08Å
170	P	97.5	Very high	94.9	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	31%	0.312	C	S	.	.			trans	-54.2	125.5	173.8	-22.6	27.8	0	0	0	111.6	C136 I137 L154 V156 A185 L186	C136-P170 CarbonylContact C-O 3.43Å; C136-P170 WeakPolarHBondContact CA-O 3.42Å; I137-P170 PolarHBondContact N-O 3.18Å; I137-P170 WeakPolarHBondContact O-CD 3.26Å; L154-P170 HydrophobicContact CD2-CG 3.98Å; V156-P170 HydrophobicContact CG1-CB 4.48Å; V156-P170 HydrophobicContact CG1-CG 3.91Å; P170-A185 HydrophobicContact CB-CB 3.95Å; P170-L186 HydrophobicContact CB-CD2 3.8Å; P170-L186 HydrophobicContact CG-CD2 4Å
171	C	97.6	Very high	95.2	Very high	27 Å²	27	52.8 Å²	52.8	18%	0.182	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	131.2	179.4	-68.6	0	0	0	0	110.6	I134 S135 C136 I169 K234	I134-C171 HydrophobicContact CG2-CB 3.9Å; S135-C171 VanDerWaalsContact O-CA 3.3Å; S135-C171 WeakPolarHBondContact O-CA 3.02Å; C136-C171 HydrophobicContact CB-CB 4.14Å; C136-C171 WeakPolarHBondContact CB-SG 3.31Å; C136-C171 WeakPolarHBondContact SG-CB 3.4Å; C136-C171 CovalentContact SG-SG 2.03Å; C136-C171 PolarHBondContact SG-SG 3.39Å; I169-C171 PolarHBondContact O-N 3.22Å; C171-K234 VanDerWaalsContact SG-CE 3.54Å
172	S	97.5	Very high	95.9	Very high	15 Å²	15	47.1 Å²	47.1	11%	0.105	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	161.6	169	66.3	0	0	0	0	112.1	I134 S135 P182	I134-S172 WeakPolarHBondContact CA-O 3.47Å; S135-S172 PolarHBondContact N-O 3.42Å; S135-S172 PolarHBondContact O-N 2.86Å; S135-S172 VanDerWaalsContact O-N 3.09Å; S172-P182 VanDerWaalsContact OG-C 3.26Å; S172-P182 WeakPolarHBondContact OG-CA 3.13Å; S172-P182 WeakPolarHBondContact OG-CB 3.39Å; S172-P182 PolarHBondContact OG-O 3.32Å
173	Y	98	Very high	96.3	Very high	96 Å²	96	47.3 Å²	47.3	38%	0.376	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	141.5	170.1	-71.1	-83.8	0	0	0	111	L126 N132 H133 I134 V232	L126-Y173 HydrophobicContact CD2-CE1 4.11Å; N132-Y173 HydrophobicContact CB-CD1 4.42Å; N132-Y173 HydrophobicContact CB-CE1 4.21Å; H133-Y173 CarbonylContact O-C 3.58Å; H133-Y173 VanDerWaalsContact O-CA 3.27Å; H133-Y173 WeakPolarHBondContact O-CA 3.47Å; I134-Y173 HydrophobicContact CD1-CD1 4.4Å; I134-Y173 HydrophobicContact CD1-CE1 3.93Å; I134-Y173 HydrophobicContact CD1-CE2 4.23Å; I134-Y173 HydrophobicContact CG1-CD1 3.68Å; I134-Y173 HydrophobicContact CG1-CD2 4.44Å; I134-Y173 HydrophobicContact CG1-CE1 3.66Å; I134-Y173 HydrophobicContact CG1-CE2 4.41Å; I134-Y173 HydrophobicContact CG1-CG 4.09Å; Y173-V232 HydrophobicContact CE1-CG1 4.37Å; Y173-V232 HydrophobicContact CE1-CG2 4.22Å
174	V	98.3	Very high	96.6	Very high	20 Å²	20	52.7 Å²	52.7	12%	0.121	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	160.7	175.3	-61.9	0	0	0	0	109.7	H133 P177 D180	H133-V174 HydrophobicContact CB-CG2 4.32Å; H133-V174 PolarHBondContact O-N 3.29Å; V174-P177 HydrophobicContact CG2-CB 4.32Å; V174-D180 HydrophobicContact CB-CB 3.74Å; V174-D180 HydrophobicContact CG1-CB 3.96Å; V174-D180 HydrophobicContact CG2-CB 4.32Å
175	D	98.2	Very high	96.7	Very high	57 Å²	57	48.8 Å²	48.8	31%	0.305	25%	0.254	S	S	.	.	S	Bend	trans	-83.3	-34.8	179.1	-79.2	-38.2	0	0	0	111.9	I95 D96 R128 D180	I95-D175 HydrophobicContact CG1-CB 4.16Å; D96-D175 PolarHBondContact N-O 2.82Å; R128-D175 IonicContact CZ-OD1 2.78Å; R128-D175 IonicContact NE-OD1 2.71Å; R128-D175 PolarHBondContact NE-OD1 2.8Å; R128-D175 IonicContact NH2-OD1 3.11Å; R128-D175 PolarHBondContact NH2-OD1 2.86Å; R128-D175 IonicContact NH2-OD2 3.14Å; R128-D175 PolarHBondContact NH2-OD2 3.46Å; D175-D180 PolarHBondContact N-OD2 2.96Å
176	N	98.1	Very high	96.7	Very high	13 Å²	13	44.9 Å²	44.9	7%	0.07	23%	0.23	C	C	.	.			trans	-131.1	111	172.8	179	-8.6	0	0	0	111.5	G94 D96 Y178 S179 D180	G94-N176 WeakPolarHBondContact O-CB 3.34Å; D96-N176 HydrophobicContact CB-CB 4.25Å; N176-Y178 PolarHBondContact O-N 3.41Å; N176-Y178 VanDerWaalsContact O-N 3.08Å; N176-Y178 WeakPolarHBondContact OD1-CB 3.49Å; N176-Y178 WeakPolarHBondContact OD1-CD2 3.41Å; N176-Y178 PolarHBondContact OD1-N 2.03Å; N176-S179 VanDerWaalsContact CB-OG 3.31Å; N176-S179 WeakPolarHBondContact CB-OG 3.44Å; N176-S179 PolarHBondContact ND2-OG 2.98Å; N176-S179 PolarHBondContact O-N 3.31Å; N176-D180 PolarHBondContact N-OD2 2.69Å; N176-D180 WeakPolarHBondContact O-CB 3.32Å; N176-D180 VanDerWaalsContact O-CG 3.29Å; N176-D180 PolarHBondContact O-N 3.09Å
177	P	97.6	Very high	96.7	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.006	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-12.9	-176.4	28.7	-34.4	0	0	0	114.1	H133 V174 W237	H133-P177 HydrophobicContact CB-CB 4.09Å; H133-P177 HydrophobicContact CB-CG 3.91Å; V174-P177 HydrophobicContact CG2-CB 4.32Å; P177-W237 VanDerWaalsContact O-CE2 3.24Å; P177-W237 WeakPolarHBondContact O-CZ2 3.4Å; P177-W237 PolarHBondContact O-NE1 2.89Å
178	Y	96.7	Very high	96.7	Very high	77 Å²	77	45.6 Å²	45.6	30%	0.302	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-29.7	-177.9	-57.8	-81	0	0	0	113.2	D96 N176 K213 K218 W237	D96-Y178 WeakPolarHBondContact OD2-CE2 3.34Å; N176-Y178 PolarHBondContact O-N 3.41Å; N176-Y178 VanDerWaalsContact O-N 3.08Å; N176-Y178 WeakPolarHBondContact OD1-CB 3.49Å; N176-Y178 WeakPolarHBondContact OD1-CD2 3.41Å; N176-Y178 PolarHBondContact OD1-N 2.03Å; Y178-K213 WeakPolarHBondContact O-CE 3.16Å; Y178-K218 PolarHBondContact OH-NZ 2.94Å; Y178-W237 AromaticContact CD1-CH2 3.81Å; Y178-W237 HydrophobicContact CD1-CH2 3.81Å; Y178-W237 AromaticContact CD1-CZ2 3.87Å; Y178-W237 HydrophobicContact CD1-CZ2 3.87Å; Y178-W237 HydrophobicContact CE1-CH2 4.34Å; Y178-W237 HydrophobicContact CE1-CZ2 4.45Å
179	S	96.1	Very high	96.6	Very high	66 Å²	66	44 Å²	44	46%	0.462	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-33.4	178	54.2	0	0	0	0	113.4	N176 F210	N176-S179 VanDerWaalsContact CB-OG 3.31Å; N176-S179 WeakPolarHBondContact CB-OG 3.44Å; N176-S179 PolarHBondContact ND2-OG 2.98Å; N176-S179 PolarHBondContact O-N 3.31Å; S179-F210 WeakPolarHBondContact O-CE1 3.31Å
180	D	97	Very high	96.5	Very high	51 Å²	51	44.3 Å²	44.3	27%	0.273	22%	0.22	S	C	.	.			trans	-93.9	129.1	-164.8	-55.4	-8.4	0	0	0	111.3	V174 D175 N176 F210	V174-D180 HydrophobicContact CB-CB 3.74Å; V174-D180 HydrophobicContact CG1-CB 3.96Å; V174-D180 HydrophobicContact CG2-CB 4.32Å; D175-D180 PolarHBondContact N-OD2 2.96Å; N176-D180 PolarHBondContact N-OD2 2.69Å; N176-D180 WeakPolarHBondContact O-CB 3.32Å; N176-D180 VanDerWaalsContact O-CG 3.29Å; N176-D180 PolarHBondContact O-N 3.09Å; D180-F210 WeakPolarHBondContact O-CZ 3.49Å
181	M	95.4	Very high	96.5	Very high	29 Å²	29	48.9 Å²	48.9	14%	0.143	24%	0.241	C	C	.	.			trans	-74	142.9	171	-173	-172.2	-72.1	0	0	109.9	I137 E183 L186 L206 F210	I137-M181 HydrophobicContact CD1-CG 4.16Å; M181-E183 HydrophobicContact CB-CG 4.32Å; M181-E183 PolarHBondContact O-N 2.89Å; M181-L186 HydrophobicContact CG-CD1 3.61Å; M181-L186 HydrophobicContact SD-CD1 3.47Å; M181-L186 WeakPolarHBondContact SD-CD1 3.36Å; M181-L206 HydrophobicContact CE-CB 3.63Å; M181-L206 WeakPolarHBondContact CE-O 3.29Å; M181-L206 HydrophobicContact SD-CB 3.89Å; M181-L206 HydrophobicContact SD-CD1 4.34Å; M181-F210 HydrophobicContact CB-CD1 4.16Å; M181-F210 HydrophobicContact CB-CD2 4.4Å; M181-F210 HydrophobicContact CB-CE1 4.22Å; M181-F210 HydrophobicContact CB-CE2 4.46Å; M181-F210 HydrophobicContact CB-CG 4.25Å; M181-F210 HydrophobicContact CB-CZ 4.37Å; M181-F210 HydrophobicContact CE-CB 3.35Å; M181-F210 HydrophobicContact CE-CD1 4.37Å; M181-F210 HydrophobicContact CE-CG 3.88Å; M181-F210 HydrophobicContact CG-CD2 4.18Å; M181-F210 HydrophobicContact CG-CG 4.25Å
182	P	96.7	Very high	96.4	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.234	C	C	.	.			trans	-72.3	64.9	172.5	32.2	-36.7	0	0	0	112	S135 I137 S172 K184 A185 L186	S135-P182 WeakPolarHBondContact O-CB 3.45Å; I137-P182 HydrophobicContact CD1-CG 3.6Å; I137-P182 HydrophobicContact CG1-CG 3.75Å; S172-P182 VanDerWaalsContact OG-C 3.26Å; S172-P182 WeakPolarHBondContact OG-CA 3.13Å; S172-P182 WeakPolarHBondContact OG-CB 3.39Å; S172-P182 PolarHBondContact OG-O 3.32Å; P182-K184 VanDerWaalsContact C-N 3.29Å; P182-K184 PolarHBondContact O-N 2.73Å; P182-A185 HydrophobicContact CB-CB 4.32Å; P182-A185 WeakPolarHBondContact O-CB 3.44Å; P182-A185 PolarHBondContact O-N 2.85Å; P182-L186 PolarHBondContact O-N 2.76Å
183	E	94.4	Very high	96.3	Very high	116 Å²	116	47.2 Å²	47.2	54%	0.542	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-55.4	-40.5	-172.9	-68.5	-169.3	176.4	0	0	112.7	M181 A185 L186 K187	M181-E183 HydrophobicContact CB-CG 4.32Å; M181-E183 PolarHBondContact O-N 2.89Å; E183-A185 PolarHBondContact O-N 3.26Å; E183-L186 CarbonylContact O-C 3.48Å; E183-L186 PolarHBondContact O-N 3.39Å; E183-K187 PolarHBondContact O-N 2.86Å
184	K	95.4	Very high	96.2	Very high	166 Å²	166	43.6 Å²	43.6	72%	0.722	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-59.3	-35.8	177.9	-70.9	-178.9	-179.6	175.1	0	112.3	P182	P182-K184 VanDerWaalsContact C-N 3.29Å; P182-K184 PolarHBondContact O-N 2.73Å
185	A	95.8	Very high	96.1	Very high	19 Å²	19	49 Å²	49	16%	0.157	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-79.2	-20.1	177.3	0	0	0	0	0	113.3	P170 P182 E183	P170-A185 HydrophobicContact CB-CB 3.95Å; P182-A185 HydrophobicContact CB-CB 4.32Å; P182-A185 WeakPolarHBondContact O-CB 3.44Å; P182-A185 PolarHBondContact O-N 2.85Å; E183-A185 PolarHBondContact O-N 3.26Å
186	L	95.3	Very high	95.9	Very high	8 Å²	8	51 Å²	51	4%	0.042	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-99.4	7.1	176.9	-59.9	178.1	0	0	0	112.7	I137 P170 M181 P182 E183 S188 I189 L190	I137-L186 HydrophobicContact CD1-CD1 3.64Å; I137-L186 HydrophobicContact CD1-CD2 4.47Å; I137-L186 HydrophobicContact CD1-CG 4.41Å; P170-L186 HydrophobicContact CB-CD2 3.8Å; P170-L186 HydrophobicContact CG-CD2 4Å; M181-L186 HydrophobicContact CG-CD1 3.61Å; M181-L186 HydrophobicContact SD-CD1 3.47Å; M181-L186 WeakPolarHBondContact SD-CD1 3.36Å; P182-L186 PolarHBondContact O-N 2.76Å; E183-L186 CarbonylContact O-C 3.48Å; E183-L186 PolarHBondContact O-N 3.39Å; L186-S188 PolarHBondContact O-N 2.89Å; L186-I189 HydrophobicContact CD2-CD1 3.92Å; L186-I189 WeakPolarHBondContact O-CB 3.37Å; L186-I189 PolarHBondContact O-N 2.77Å; L186-L190 PolarHBondContact O-N 3.36Å
187	K	95.6	Very high	95.7	Very high	123 Å²	123	53.3 Å²	53.3	54%	0.535	27%	0.267	S	S	.	.	H	α-helix	trans	-52.3	-51.9	-171.6	-179	-176.7	168.8	-173	0	112.8	E183 I189 L190 E191	E183-K187 PolarHBondContact O-N 2.86Å; K187-I189 VanDerWaalsContact C-N 3.29Å; K187-I189 PolarHBondContact O-N 3.34Å; K187-L190 PolarHBondContact O-N 2.8Å; K187-E191 VanDerWaalsContact CE-CD 3.5Å; K187-E191 WeakPolarHBondContact CE-OE1 3.34Å; K187-E191 HydrophobicContact CG-CG 4.45Å; K187-E191 IonicContact NZ-OE1 3.21Å; K187-E191 WeakPolarHBondContact O-CB 3.27Å; K187-E191 WeakPolarHBondContact O-CG 3.4Å; K187-E191 PolarHBondContact O-N 2.7Å
188	S	95.4	Very high	95.6	Very high	20 Å²	20	55 Å²	55	14%	0.14	28%	0.284	C	S	.	.	H	α-helix	trans	-63.2	-35.3	-179.7	51.8	0	0	0	0	112.7	L186 E192 N257 V258	L186-S188 PolarHBondContact O-N 2.89Å; S188-E192 WeakPolarHBondContact O-CB 3.4Å; S188-E192 PolarHBondContact O-N 2.83Å; S188-N257 PolarHBondContact OG-ND2 3.33Å; S188-V258 VanDerWaalsContact OG-CG2 3.31Å; S188-V258 WeakPolarHBondContact OG-CG2 3.48Å
189	I	95.4	Very high	95.5	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.01	30%	0.299	C	S	.	.	H	α-helix	trans	-68.4	-44.7	176	-62.8	164.1	0	0	0	110.3	L154 L186 K187 E191 E192 L193 L206 L250 I255 V258	L154-I189 HydrophobicContact CD1-CD1 4.44Å; L154-I189 HydrophobicContact CD2-CD1 3.5Å; L154-I189 VanDerWaalsContact CD2-CD1 3.5Å; L154-I189 HydrophobicContact CG-CD1 4.44Å; L186-I189 HydrophobicContact CD2-CD1 3.92Å; L186-I189 WeakPolarHBondContact O-CB 3.37Å; L186-I189 PolarHBondContact O-N 2.77Å; K187-I189 VanDerWaalsContact C-N 3.29Å; K187-I189 PolarHBondContact O-N 3.34Å; I189-E191 VanDerWaalsContact C-N 3.33Å; I189-E191 PolarHBondContact O-N 2.84Å; I189-E192 PolarHBondContact O-N 2.89Å; I189-L193 HydrophobicContact CG2-CD1 3.96Å; I189-L193 HydrophobicContact CG2-CG 4.36Å; I189-L193 WeakPolarHBondContact O-CB 3.02Å; I189-L193 VanDerWaalsContact O-CG 3.25Å; I189-L193 WeakPolarHBondContact O-CG 3.3Å; I189-L193 PolarHBondContact O-N 2.85Å; I189-L206 HydrophobicContact CG2-CD2 4.21Å; I189-L250 HydrophobicContact CB-CD1 4.49Å; I189-L250 HydrophobicContact CG2-CD1 3.94Å; I189-L250 HydrophobicContact CG2-CD2 4.28Å; I189-I255 HydrophobicContact CG1-CD1 4.41Å; I189-V258 HydrophobicContact CD1-CG1 4.03Å; I189-V258 HydrophobicContact CG1-CG1 4.16Å; I189-V258 HydrophobicContact CG1-CG2 4.16Å
190	L	95.4	Very high	95.5	Very high	25 Å²	25	62 Å²	62	13%	0.131	31%	0.305	C	S	.	.	H	α-helix	trans	-62	-42.5	176.8	174.4	62.3	0	0	0	111.3	L186 K187 A194 A202 K203 L206	L186-L190 PolarHBondContact O-N 3.36Å; K187-L190 PolarHBondContact O-N 2.8Å; L190-A194 WeakPolarHBondContact O-CB 3.33Å; L190-A194 PolarHBondContact O-N 2.87Å; L190-A202 HydrophobicContact CD1-CB 3.88Å; L190-K203 HydrophobicContact CD1-CG 4.03Å; L190-L206 HydrophobicContact CB-CD1 3.85Å; L190-L206 HydrophobicContact CD1-CD1 3.91Å; L190-L206 HydrophobicContact CG-CD1 4.4Å
191	E	96.6	Very high	95.4	Very high	95 Å²	95	65.9 Å²	65.9	44%	0.444	32%	0.316	S	S	.	.	H	α-helix	trans	-63.2	-47.2	177.9	-74.7	171.2	161.9	0	0	111.1	K187 I189 A194 L195	K187-E191 VanDerWaalsContact CE-CD 3.5Å; K187-E191 WeakPolarHBondContact CE-OE1 3.34Å; K187-E191 HydrophobicContact CG-CG 4.45Å; K187-E191 IonicContact NZ-OE1 3.21Å; K187-E191 WeakPolarHBondContact O-CB 3.27Å; K187-E191 WeakPolarHBondContact O-CG 3.4Å; K187-E191 PolarHBondContact O-N 2.7Å; I189-E191 VanDerWaalsContact C-N 3.33Å; I189-E191 PolarHBondContact O-N 2.84Å; E191-A194 WeakPolarHBondContact O-CB 3.27Å; E191-A194 PolarHBondContact O-N 3.45Å; E191-L195 WeakPolarHBondContact O-CG 3.34Å; E191-L195 PolarHBondContact O-N 2.82Å
192	E	96.6	Very high	95.3	Very high	7 Å²	7	64.5 Å²	64.5	3%	0.033	31%	0.309	C	S	.	.	H	α-helix	trans	-64.4	-47.3	177.2	-177.6	55.8	-148	0	0	112	S188 I189 A194 L195 Q196 L250 N251 H254 I255	S188-E192 WeakPolarHBondContact O-CB 3.4Å; S188-E192 PolarHBondContact O-N 2.83Å; I189-E192 PolarHBondContact O-N 2.89Å; E192-A194 PolarHBondContact O-N 3.15Å; E192-L195 WeakPolarHBondContact O-CB 3.39Å; E192-L195 PolarHBondContact O-N 2.83Å; E192-L195 VanDerWaalsContact O-N 3.1Å; E192-Q196 WeakPolarHBondContact O-CG 3.25Å; E192-Q196 PolarHBondContact O-N 2.8Å; E192-Q196 VanDerWaalsContact O-N 3.15Å; E192-Q196 WeakPolarHBondContact OE1-CG 3.02Å; E192-Q196 PolarHBondContact OE1-NE2 2.76Å; E192-L250 HydrophobicContact CB-CD1 3.86Å; E192-L250 HydrophobicContact CG-CD1 3.79Å; E192-N251 WeakPolarHBondContact OE1-CB 3.45Å; E192-H254 IonicContact OE1-ND1 2.73Å; E192-H254 PolarHBondContact OE1-ND1 2.89Å; E192-H254 VanDerWaalsContact OE2-CB 3.27Å; E192-H254 WeakPolarHBondContact OE2-CB 3.13Å; E192-H254 IonicContact OE2-CG 3.2Å; E192-H254 IonicContact OE2-ND1 2.85Å; E192-H254 PolarHBondContact OE2-ND1 2.92Å; E192-I255 HydrophobicContact CB-CG2 3.84Å; E192-I255 HydrophobicContact CG-CG2 4.36Å
193	L	95.1	Very high	95.2	Very high	0 Å²	0	69 Å²	69	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-58.5	-35.2	175	-72.1	173.4	0	0	0	112.1	I189 Q196 N197 A202 I205 L206 L247 S249 L250	I189-L193 HydrophobicContact CG2-CD1 3.96Å; I189-L193 HydrophobicContact CG2-CG 4.36Å; I189-L193 WeakPolarHBondContact O-CB 3.02Å; I189-L193 VanDerWaalsContact O-CG 3.25Å; I189-L193 WeakPolarHBondContact O-CG 3.3Å; I189-L193 PolarHBondContact O-N 2.85Å; L193-Q196 PolarHBondContact O-N 2.93Å; L193-N197 WeakPolarHBondContact O-CB 3.48Å; L193-N197 PolarHBondContact O-N 3.19Å; L193-N197 PolarHBondContact O-ND2 3.35Å; L193-A202 HydrophobicContact CB-CB 3.61Å; L193-I205 HydrophobicContact CD1-CG2 4.26Å; L193-L206 HydrophobicContact CD1-CD1 4.46Å; L193-L206 HydrophobicContact CD1-CD2 3.81Å; L193-L206 HydrophobicContact CD1-CG 3.9Å; L193-L247 HydrophobicContact CD1-CD2 3.74Å; L193-L247 HydrophobicContact CD2-CD2 4.2Å; L193-L247 HydrophobicContact CG-CD2 4.48Å; L193-S249 WeakPolarHBondContact CD2-OG 3.21Å; L193-L250 HydrophobicContact CD2-CB 4.44Å; L193-L250 HydrophobicContact CD2-CD1 4.22Å; L193-L250 HydrophobicContact CG-CD1 4.07Å
194	A	96.2	Very high	95.2	Very high	21 Å²	21	67.3 Å²	67.3	17%	0.174	32%	0.321	C	S	.	.	H	α-helix	trans	-71	-33.2	178.7	0	0	0	0	0	112.3	L190 E191 E192 Q196 G198 R199 A202	L190-A194 WeakPolarHBondContact O-CB 3.33Å; L190-A194 PolarHBondContact O-N 2.87Å; E191-A194 WeakPolarHBondContact O-CB 3.27Å; E191-A194 PolarHBondContact O-N 3.45Å; E192-A194 PolarHBondContact O-N 3.15Å; A194-Q196 VanDerWaalsContact C-N 3.33Å; A194-G198 CarbonylContact O-C 3.57Å; A194-G198 WeakPolarHBondContact O-CA 3.22Å; A194-G198 PolarHBondContact O-N 2.91Å; A194-R199 HydrophobicContact CB-CB 4.29Å; A194-A202 HydrophobicContact CB-CB 3.96Å
195	L	96.2	Very high	95.1	Very high	134 Å²	134	60.2 Å²	60.2	70%	0.702	29%	0.291	S	S	*	.	H	α-helix	trans	-64.3	-39.9	171.9	-69.5	172.1	0	0	0	111.3	E191 E192	E191-L195 WeakPolarHBondContact O-CG 3.34Å; E191-L195 PolarHBondContact O-N 2.82Å; E192-L195 WeakPolarHBondContact O-CB 3.39Å; E192-L195 PolarHBondContact O-N 2.83Å; E192-L195 VanDerWaalsContact O-N 3.1Å
196	Q	93.6	Very high	94.9	Very high	98 Å²	98	59.9 Å²	59.9	46%	0.458	29%	0.286	S	S	.	.	H	α-helix	trans	-83.1	-32.5	-174.6	-58.4	-62.9	-24.8	0	0	113.8	E192 L193 A194 S249	E192-Q196 WeakPolarHBondContact O-CG 3.25Å; E192-Q196 PolarHBondContact O-N 2.8Å; E192-Q196 VanDerWaalsContact O-N 3.15Å; E192-Q196 WeakPolarHBondContact OE1-CG 3.02Å; E192-Q196 PolarHBondContact OE1-NE2 2.76Å; L193-Q196 PolarHBondContact O-N 2.93Å; A194-Q196 VanDerWaalsContact C-N 3.33Å; Q196-S249 WeakPolarHBondContact CG-O 3.48Å
197	N	93.4	Very high	94.8	Very high	62 Å²	62	65.1 Å²	65.1	33%	0.332	31%	0.309	S	S	.	.	H	α-helix	trans	-125.6	-6.1	-169.7	-50.5	-90.3	0	0	0	113.9	L193 R201 S249	L193-N197 WeakPolarHBondContact O-CB 3.48Å; L193-N197 PolarHBondContact O-N 3.19Å; L193-N197 PolarHBondContact O-ND2 3.35Å; N197-R201 HydrophobicContact CB-CB 3.97Å; N197-R201 HydrophobicContact CB-CG 3.8Å; N197-R201 WeakPolarHBondContact O-CB 3.47Å; N197-S249 PolarHBondContact ND2-OG 3.15Å; N197-S249 PolarHBondContact OD1-OG 3.34Å
198	G	94.8	Very high	94.7	Very high	35 Å²	35	65.7 Å²	65.7	36%	0.361	31%	0.308	S	S	.	.			trans	84.2	150.8	-166.4	0	0	0	0	0	113.3	A194 Q200 R201 A202	A194-G198 CarbonylContact O-C 3.57Å; A194-G198 WeakPolarHBondContact O-CA 3.22Å; A194-G198 PolarHBondContact O-N 2.91Å; G198-Q200 PolarHBondContact O-N 2.84Å; G198-R201 PolarHBondContact O-N 2.86Å; G198-A202 WeakPolarHBondContact O-CB 3.36Å; G198-A202 PolarHBondContact O-N 3.26Å
199	R	95.3	Very high	94.5	Very high	165 Å²	165	65.1 Å²	65.1	62%	0.623	30%	0.304	S	S	*	.	H	α-helix	trans	-60.3	-40.3	-171.3	-169.8	178.3	-174.7	93.9	-1.3	114.1	A194 K203	A194-R199 HydrophobicContact CB-CB 4.29Å; R199-K203 PolarHBondContact O-N 2.98Å
200	Q	96.1	Very high	94.5	Very high	127 Å²	127	65.3 Å²	65.3	59%	0.593	30%	0.304	S	S	*	.	H	α-helix	trans	-65.3	-48.3	-179.9	178.9	57.1	29.5	0	0	110.7	G198 A202 K203 E204	G198-Q200 PolarHBondContact O-N 2.84Å; Q200-A202 VanDerWaalsContact C-N 3.34Å; Q200-A202 PolarHBondContact O-N 3.38Å; Q200-K203 PolarHBondContact O-N 3.01Å; Q200-E204 PolarHBondContact NE2-OE1 2.88Å; Q200-E204 PolarHBondContact O-N 3.22Å; Q200-E204 VanDerWaalsContact O-N 3.08Å
201	R	94.4	Very high	94.4	Very high	132 Å²	132	68.2 Å²	68.2	50%	0.498	32%	0.32	S	S	.	.	H	α-helix	trans	-63.6	-40.1	179.1	-173.3	57.7	-179.7	167.6	0.8	112.3	N197 G198 K203 E204 I205	N197-R201 HydrophobicContact CB-CB 3.97Å; N197-R201 HydrophobicContact CB-CG 3.8Å; N197-R201 WeakPolarHBondContact O-CB 3.47Å; G198-R201 PolarHBondContact O-N 2.86Å; R201-K203 VanDerWaalsContact C-N 3.32Å; R201-K203 PolarHBondContact O-N 3.22Å; R201-E204 IonicContact NH1-OE2 3.18Å; R201-E204 PolarHBondContact NH1-OE2 2.77Å; R201-E204 WeakPolarHBondContact O-CB 3.16Å; R201-E204 PolarHBondContact O-N 2.8Å; R201-I205 HydrophobicContact CG-CD1 4.11Å; R201-I205 WeakPolarHBondContact O-CG1 3.46Å; R201-I205 PolarHBondContact O-N 3.47Å
202	A	94.2	Very high	94.2	Very high	0 Å²	0	67 Å²	67	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-58.4	-42.8	175.5	0	0	0	0	0	112.6	L190 L193 A194 G198 Q200 I205 L206	L190-A202 HydrophobicContact CD1-CB 3.88Å; L193-A202 HydrophobicContact CB-CB 3.61Å; A194-A202 HydrophobicContact CB-CB 3.96Å; G198-A202 WeakPolarHBondContact O-CB 3.36Å; G198-A202 PolarHBondContact O-N 3.26Å; Q200-A202 VanDerWaalsContact C-N 3.34Å; Q200-A202 PolarHBondContact O-N 3.38Å; A202-I205 PolarHBondContact O-N 3.07Å; A202-L206 PolarHBondContact O-N 2.86Å; A202-L206 VanDerWaalsContact O-N 3.13Å
203	K	94.1	Very high	94.2	Very high	94 Å²	94	68.7 Å²	68.7	41%	0.409	32%	0.319	S	S	.	.	H	α-helix	trans	-64.2	-41.7	174.7	-74.8	-175.4	170.8	-166.6	0	112.3	L190 R199 Q200 R201 L206 K207	L190-K203 HydrophobicContact CD1-CG 4.03Å; R199-K203 PolarHBondContact O-N 2.98Å; Q200-K203 PolarHBondContact O-N 3.01Å; R201-K203 VanDerWaalsContact C-N 3.32Å; R201-K203 PolarHBondContact O-N 3.22Å; K203-L206 PolarHBondContact O-N 2.92Å; K203-K207 VanDerWaalsContact O-CB 3.25Å; K203-K207 WeakPolarHBondContact O-CB 3.36Å; K203-K207 PolarHBondContact O-N 3.38Å
204	E	93.9	Very high	94.3	Very high	80 Å²	80	75.7 Å²	75.7	37%	0.374	35%	0.349	S	S	.	.	H	α-helix	trans	-62.6	-44.5	177.1	-72.1	167.7	-168.4	0	0	112.2	Q200 R201 K207 Y208	Q200-E204 PolarHBondContact NE2-OE1 2.88Å; Q200-E204 PolarHBondContact O-N 3.22Å; Q200-E204 VanDerWaalsContact O-N 3.08Å; R201-E204 IonicContact NH1-OE2 3.18Å; R201-E204 PolarHBondContact NH1-OE2 2.77Å; R201-E204 WeakPolarHBondContact O-CB 3.16Å; R201-E204 PolarHBondContact O-N 2.8Å; E204-K207 PolarHBondContact O-N 3.08Å; E204-Y208 VanDerWaalsContact O-CB 3.26Å; E204-Y208 WeakPolarHBondContact O-CB 3.47Å; E204-Y208 PolarHBondContact O-N 3.12Å
205	I	92.9	Very high	94.4	Very high	17 Å²	17	78.6 Å²	78.6	9%	0.087	36%	0.361	C	S	.	.	H	α-helix	trans	-56.9	-53.8	176	-71	166.1	0	0	0	110	L193 R201 A202 K207 Y208 I209 D246 L247	L193-I205 HydrophobicContact CD1-CG2 4.26Å; R201-I205 HydrophobicContact CG-CD1 4.11Å; R201-I205 WeakPolarHBondContact O-CG1 3.46Å; R201-I205 PolarHBondContact O-N 3.47Å; A202-I205 PolarHBondContact O-N 3.07Å; I205-K207 VanDerWaalsContact C-N 3.34Å; I205-K207 PolarHBondContact O-N 3.36Å; I205-Y208 PolarHBondContact O-N 2.69Å; I205-I209 HydrophobicContact CG2-CD1 3.97Å; I205-I209 WeakPolarHBondContact O-CG1 3.45Å; I205-I209 PolarHBondContact O-N 3.02Å; I205-D246 WeakPolarHBondContact CG2-O 3.25Å; I205-L247 HydrophobicContact CG2-CD2 4.03Å
206	L	93.4	Very high	94.5	Very high	13 Å²	13	76 Å²	76	7%	0.068	35%	0.351	C	S	.	.	H	α-helix	trans	-61.8	-43.9	-179.5	-69.9	-176.4	0	0	0	111.4	M181 I189 L190 L193 A202 K203 Y208 I209 F210 L247	M181-L206 HydrophobicContact CE-CB 3.63Å; M181-L206 WeakPolarHBondContact CE-O 3.29Å; M181-L206 HydrophobicContact SD-CB 3.89Å; M181-L206 HydrophobicContact SD-CD1 4.34Å; I189-L206 HydrophobicContact CG2-CD2 4.21Å; L190-L206 HydrophobicContact CB-CD1 3.85Å; L190-L206 HydrophobicContact CD1-CD1 3.91Å; L190-L206 HydrophobicContact CG-CD1 4.4Å; L193-L206 HydrophobicContact CD1-CD1 4.46Å; L193-L206 HydrophobicContact CD1-CD2 3.81Å; L193-L206 HydrophobicContact CD1-CG 3.9Å; A202-L206 PolarHBondContact O-N 2.86Å; A202-L206 VanDerWaalsContact O-N 3.13Å; K203-L206 PolarHBondContact O-N 2.92Å; L206-Y208 VanDerWaalsContact C-N 3.35Å; L206-Y208 PolarHBondContact O-N 2.91Å; L206-I209 PolarHBondContact O-N 2.92Å; L206-F210 WeakPolarHBondContact O-CB 3.4Å; L206-F210 PolarHBondContact O-N 3.4Å; L206-L247 HydrophobicContact CD2-CD2 4.21Å
207	K	93.3	Very high	94.7	Very high	118 Å²	118	78.8 Å²	78.8	51%	0.513	36%	0.357	S	S	.	.	H	α-helix	trans	-59.2	-46.2	177.3	176.3	166.2	171.5	44.4	0	111.4	K203 E204 I205 I209 F210 D211	K203-K207 VanDerWaalsContact O-CB 3.25Å; K203-K207 WeakPolarHBondContact O-CB 3.36Å; K203-K207 PolarHBondContact O-N 3.38Å; E204-K207 PolarHBondContact O-N 3.08Å; I205-K207 VanDerWaalsContact C-N 3.34Å; I205-K207 PolarHBondContact O-N 3.36Å; K207-I209 VanDerWaalsContact C-N 3.34Å; K207-I209 PolarHBondContact O-N 3.05Å; K207-F210 PolarHBondContact O-N 2.96Å; K207-F210 VanDerWaalsContact O-N 3.15Å; K207-D211 WeakPolarHBondContact CG-OD2 3.17Å; K207-D211 IonicContact NZ-OD1 3.87Å; K207-D211 PolarHBondContact NZ-OD1 2.88Å; K207-D211 IonicContact NZ-OD2 3.65Å; K207-D211 PolarHBondContact NZ-OD2 2.95Å; K207-D211 WeakPolarHBondContact O-CB 3.21Å; K207-D211 VanDerWaalsContact O-CG 3.28Å; K207-D211 PolarHBondContact O-N 2.84Å
208	Y	92.3	Very high	94.9	Very high	135 Å²	135	80.4 Å²	80.4	53%	0.529	36%	0.362	S	S	.	.	H	α-helix	trans	-59.8	-42.2	178.2	179.9	-99.1	0	0	0	112.5	E204 I205 L206 R212 D246	E204-Y208 VanDerWaalsContact O-CB 3.26Å; E204-Y208 WeakPolarHBondContact O-CB 3.47Å; E204-Y208 PolarHBondContact O-N 3.12Å; I205-Y208 PolarHBondContact O-N 2.69Å; L206-Y208 VanDerWaalsContact C-N 3.35Å; L206-Y208 PolarHBondContact O-N 2.91Å; Y208-R212 PolarHBondContact O-NE 3.35Å; Y208-D246 WeakPolarHBondContact CD1-OD1 3.34Å; Y208-D246 WeakPolarHBondContact CE1-OD1 3.41Å
209	I	92.3	Very high	95.1	Very high	7 Å²	7	81.6 Å²	81.6	4%	0.036	36%	0.356	C	S	.	.	H	α-helix	trans	-64.1	-46.1	173.7	-59.4	161.9	0	0	0	110.7	L139 I205 L206 K207 D211 R212 L239 D246 L247	L139-I209 HydrophobicContact CD1-CG2 3.89Å; I205-I209 HydrophobicContact CG2-CD1 3.97Å; I205-I209 WeakPolarHBondContact O-CG1 3.45Å; I205-I209 PolarHBondContact O-N 3.02Å; L206-I209 PolarHBondContact O-N 2.92Å; K207-I209 VanDerWaalsContact C-N 3.34Å; K207-I209 PolarHBondContact O-N 3.05Å; I209-D211 PolarHBondContact O-N 2.9Å; I209-R212 PolarHBondContact O-N 2.81Å; I209-L239 HydrophobicContact CG2-CB 4.27Å; I209-L239 HydrophobicContact CG2-CD2 3.63Å; I209-D246 HydrophobicContact CD1-CB 3.52Å; I209-D246 HydrophobicContact CG1-CB 3.49Å; I209-D246 VanDerWaalsContact CG1-CB 3.49Å; I209-L247 HydrophobicContact CD1-CD1 4.32Å; I209-L247 HydrophobicContact CD1-CD2 3.57Å; I209-L247 HydrophobicContact CD1-CG 3.72Å
210	F	94	Very high	95.2	Very high	6 Å²	6	74.9 Å²	74.9	3%	0.026	33%	0.33	C	S	.	.	H	α-helix	trans	-69.7	-28.5	-177.2	-172.7	-106.2	0	0	0	114	I137 S179 D180 M181 L206 K207 R212 K213 L239	I137-F210 HydrophobicContact CD1-CD2 3.81Å; I137-F210 HydrophobicContact CD1-CE2 4.13Å; I137-F210 HydrophobicContact CG1-CD2 4.23Å; I137-F210 HydrophobicContact CG1-CE2 4.23Å; S179-F210 WeakPolarHBondContact O-CE1 3.31Å; D180-F210 WeakPolarHBondContact O-CZ 3.49Å; M181-F210 HydrophobicContact CB-CD1 4.16Å; M181-F210 HydrophobicContact CB-CD2 4.4Å; M181-F210 HydrophobicContact CB-CE1 4.22Å; M181-F210 HydrophobicContact CB-CE2 4.46Å; M181-F210 HydrophobicContact CB-CG 4.25Å; M181-F210 HydrophobicContact CB-CZ 4.37Å; M181-F210 HydrophobicContact CE-CB 3.35Å; M181-F210 HydrophobicContact CE-CD1 4.37Å; M181-F210 HydrophobicContact CE-CG 3.88Å; M181-F210 HydrophobicContact CG-CD2 4.18Å; M181-F210 HydrophobicContact CG-CG 4.25Å; L206-F210 WeakPolarHBondContact O-CB 3.4Å; L206-F210 PolarHBondContact O-N 3.4Å; K207-F210 PolarHBondContact O-N 2.96Å; K207-F210 VanDerWaalsContact O-N 3.15Å; F210-R212 PolarHBondContact O-N 3Å; F210-K213 HydrophobicContact CD1-CD 4.06Å; F210-K213 HydrophobicContact CD2-CD 3.98Å; F210-K213 HydrophobicContact CE1-CD 3.71Å; F210-K213 HydrophobicContact CE2-CD 3.62Å; F210-K213 HydrophobicContact CG-CD 4.19Å; F210-K213 HydrophobicContact CZ-CD 3.48Å; F210-K213 VanDerWaalsContact CZ-CD 3.48Å; F210-K213 WeakPolarHBondContact O-CB 3.43Å; F210-K213 WeakPolarHBondContact O-CD 3.39Å; F210-K213 WeakPolarHBondContact O-CG 3.49Å; F210-K213 PolarHBondContact O-N 3Å; F210-K213 VanDerWaalsContact O-N 3.13Å; F210-K213 PolarHBondContact O-NZ 2.73Å; F210-L239 HydrophobicContact CB-CD2 4.44Å; F210-L239 HydrophobicContact CD2-CD2 4.25Å
211	D	93.7	Very high	95.3	Very high	87 Å²	87	71.4 Å²	71.4	47%	0.465	31%	0.314	S	S	.	.	H	α-helix	trans	-69.4	-21.7	176.2	-72.6	-20.1	0	0	0	112.1	K207 I209 K213	K207-D211 WeakPolarHBondContact CG-OD2 3.17Å; K207-D211 IonicContact NZ-OD1 3.87Å; K207-D211 PolarHBondContact NZ-OD1 2.88Å; K207-D211 IonicContact NZ-OD2 3.65Å; K207-D211 PolarHBondContact NZ-OD2 2.95Å; K207-D211 WeakPolarHBondContact O-CB 3.21Å; K207-D211 VanDerWaalsContact O-CG 3.28Å; K207-D211 PolarHBondContact O-N 2.84Å; I209-D211 PolarHBondContact O-N 2.9Å; D211-K213 VanDerWaalsContact C-N 3.27Å; D211-K213 PolarHBondContact O-N 3.06Å
212	R	93.2	Very high	95.4	Very high	69 Å²	69	68.6 Å²	68.6	26%	0.26	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	5.3	172.2	-64.9	177.8	-67.5	163.6	6.2	114	Y208 I209 F210 D246	Y208-R212 PolarHBondContact O-NE 3.35Å; I209-R212 PolarHBondContact O-N 2.81Å; F210-R212 PolarHBondContact O-N 3Å; R212-D246 IonicContact CZ-OD1 3.35Å; R212-D246 IonicContact CZ-OD2 2.74Å; R212-D246 IonicContact NH1-OD1 3.74Å; R212-D246 IonicContact NH1-OD2 3.34Å; R212-D246 PolarHBondContact NH1-OD2 3.27Å; R212-D246 IonicContact NH2-OD1 3.57Å; R212-D246 PolarHBondContact NH2-OD1 3.13Å; R212-D246 IonicContact NH2-OD2 3.48Å; R212-D246 PolarHBondContact NH2-OD2 3.25Å
213	K	95.8	Very high	95.5	Very high	43 Å²	43	69.6 Å²	69.6	19%	0.187	32%	0.32	C	S	.	.			trans	-57.5	141.1	-178.1	66.5	-169.8	170.7	-72.9	0	112.7	Y178 F210 D211 W237 L239	Y178-K213 WeakPolarHBondContact O-CE 3.16Å; F210-K213 HydrophobicContact CD1-CD 4.06Å; F210-K213 HydrophobicContact CD2-CD 3.98Å; F210-K213 HydrophobicContact CE1-CD 3.71Å; F210-K213 HydrophobicContact CE2-CD 3.62Å; F210-K213 HydrophobicContact CG-CD 4.19Å; F210-K213 HydrophobicContact CZ-CD 3.48Å; F210-K213 VanDerWaalsContact CZ-CD 3.48Å; F210-K213 WeakPolarHBondContact O-CB 3.43Å; F210-K213 WeakPolarHBondContact O-CD 3.39Å; F210-K213 WeakPolarHBondContact O-CG 3.49Å; F210-K213 PolarHBondContact O-N 3Å; F210-K213 VanDerWaalsContact O-N 3.13Å; F210-K213 PolarHBondContact O-NZ 2.73Å; D211-K213 VanDerWaalsContact C-N 3.27Å; D211-K213 PolarHBondContact O-N 3.06Å; K213-W237 HydrophobicContact CB-CB 4.06Å; K213-W237 HydrophobicContact CB-CD2 4.37Å; K213-W237 HydrophobicContact CB-CE3 4.06Å; K213-W237 HydrophobicContact CB-CG 4.38Å; K213-W237 HydrophobicContact CD-CD2 3.76Å; K213-W237 HydrophobicContact CD-CE3 3.85Å; K213-W237 HydrophobicContact CD-CG 4.04Å; K213-W237 HydrophobicContact CD-CZ3 4.34Å; K213-W237 HydrophobicContact CG-CD2 4.17Å; K213-W237 HydrophobicContact CG-CE3 3.78Å; K213-W237 HydrophobicContact CG-CZ3 4.25Å; K213-L239 HydrophobicContact CB-CD1 4.15Å; K213-L239 HydrophobicContact CB-CG 4.17Å
214	K	97.7	Very high	95.6	Very high	147 Å²	147	69.6 Å²	69.6	64%	0.639	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.5	130.5	170	-65.2	-174.8	180	-179.4	0	110	T216 K238	K214-T216 PolarHBondContact O-N 3.42Å; K214-K238 PolarHBondContact N-O 3.48Å; K214-K238 PolarHBondContact O-N 3.13Å
215	L	98.2	Very high	95.7	Very high	81 Å²	81	67.8 Å²	67.8	42%	0.424	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	121.9	177	-179.4	60.3	0	0	0	109.1	K218 T235 W237	L215-K218 HydrophobicContact CD1-CB 4.37Å; L215-K218 HydrophobicContact CD2-CD 4.12Å; L215-K218 HydrophobicContact CD2-CG 4.5Å; L215-T235 HydrophobicContact CD1-CG2 3.63Å; L215-W237 VanDerWaalsContact CA-CZ3 3.49Å; L215-W237 HydrophobicContact CB-CE3 4.05Å; L215-W237 HydrophobicContact CB-CH2 4.13Å; L215-W237 HydrophobicContact CB-CZ3 3.49Å; L215-W237 VanDerWaalsContact CB-CZ3 3.49Å; L215-W237 HydrophobicContact CD1-CE3 4.28Å; L215-W237 HydrophobicContact CD1-CH2 3.98Å; L215-W237 HydrophobicContact CD1-CZ2 4.36Å; L215-W237 HydrophobicContact CD1-CZ3 3.97Å; L215-W237 HydrophobicContact CG-CZ3 4.29Å
216	T	97.7	Very high	96	Very high	79 Å²	79	67 Å²	67	49%	0.485	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	-49.2	173.7	-60.2	0	0	0	0	110.6	K214 I236 K238	K214-T216 PolarHBondContact O-N 3.42Å; T216-I236 WeakPolarHBondContact CB-O 3.1Å; T216-I236 PolarHBondContact N-O 3.41Å; T216-K238 WeakPolarHBondContact OG1-CB 3.49Å; T216-K238 PolarHBondContact OG1-N 2.94Å
217	R	98	Very high	96.2	Very high	157 Å²	157	66.3 Å²	66.3	59%	0.592	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-156.6	144.4	-177.2	-163.7	176.3	177.9	157.9	0.3	110.6	Y219 T235 I236	R217-Y219 HydrophobicContact CG-CD1 3.87Å; R217-Y219 HydrophobicContact CG-CE1 4.38Å; R217-T235 CarbonylContact O-C 3.56Å; R217-T235 WeakPolarHBondContact O-CA 3.25Å; R217-I236 PolarHBondContact N-O 3.35Å; R217-I236 PolarHBondContact O-N 3.49Å
218	K	98.2	Very high	96.4	Very high	97 Å²	97	60.9 Å²	60.9	42%	0.422	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	136.3	166.8	62.2	-177.1	-179.4	178.9	0	109.7	V100 Y178 L215 K234 T235	V100-K218 HydrophobicContact CG1-CB 3.95Å; V100-K218 HydrophobicContact CG1-CD 4.11Å; V100-K218 HydrophobicContact CG1-CG 4.05Å; Y178-K218 PolarHBondContact OH-NZ 2.94Å; L215-K218 HydrophobicContact CD1-CB 4.37Å; L215-K218 HydrophobicContact CD2-CD 4.12Å; L215-K218 HydrophobicContact CD2-CG 4.5Å; K218-K234 WeakPolarHBondContact CA-O 3.28Å; K218-T235 HydrophobicContact CB-CG2 4.33Å
219	Y	98.5	Very high	96.7	Very high	60 Å²	60	54.8 Å²	54.8	24%	0.235	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	156.5	-173.6	62.3	-76.3	0	0	0	112.9	R217 H221 E233 K234 I236	R217-Y219 HydrophobicContact CG-CD1 3.87Å; R217-Y219 HydrophobicContact CG-CE1 4.38Å; Y219-H221 AromaticContact CE2-ND1 3.99Å; Y219-H221 PolarHBondContact O-N 2.88Å; Y219-E233 WeakPolarHBondContact O-CA 3.31Å; Y219-K234 WeakPolarHBondContact CD1-O 3.12Å; Y219-K234 HydrophobicContact CE1-CB 4.01Å; Y219-K234 HydrophobicContact CE1-CG 4.36Å; Y219-K234 HydrophobicContact CE2-CB 4.4Å; Y219-K234 PolarHBondContact N-O 3.33Å; Y219-K234 PolarHBondContact O-N 3.05Å; Y219-I236 HydrophobicContact CE1-CD1 4.14Å
220	Y	98.5	Very high	97	Very high	24 Å²	24	54.4 Å²	54.4	9%	0.094	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	126.9	167.9	-179.6	-78.4	0	0	0	109.3	G30 N113 P114 A115 P222 N226 W231	G30-Y220 WeakPolarHBondContact CA-OH 3.43Å; N113-Y220 PolarHBondContact ND2-OH 3.37Å; N113-Y220 VanDerWaalsContact OD1-CE2 3.26Å; N113-Y220 WeakPolarHBondContact OD1-CE2 3.37Å; N113-Y220 PolarHBondContact OD1-OH 3.31Å; P114-Y220 HydrophobicContact CG-CD2 4.28Å; P114-Y220 HydrophobicContact CG-CE2 4.29Å; A115-Y220 HydrophobicContact CB-CE1 3.93Å; A115-Y220 HydrophobicContact CB-CE2 3.83Å; A115-Y220 VanDerWaalsContact CB-CZ 3.49Å; A115-Y220 WeakPolarHBondContact CB-OH 3.3Å; Y220-P222 WeakPolarHBondContact O-CD 3.2Å; Y220-N226 PolarHBondContact OH-ND2 2.7Å; Y220-W231 AromaticContact CD2-CD1 3.62Å; Y220-W231 HydrophobicContact CD2-CG 4.28Å; Y220-W231 HydrophobicContact CE2-CB 3.75Å; Y220-W231 AromaticContact CE2-CD1 3.39Å; Y220-W231 HydrophobicContact CE2-CD2 4.49Å; Y220-W231 AromaticContact CE2-CG 3.6Å; Y220-W231 HydrophobicContact CE2-CG 3.6Å
221	H	97.9	Very high	97.2	Very high	54 Å²	54	54.1 Å²	54.1	25%	0.25	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	114.5	-177	-173.8	54.8	0	0	0	110.8	Y219 S223 N226 V232 K234	Y219-H221 AromaticContact CE2-ND1 3.99Å; Y219-H221 PolarHBondContact O-N 2.88Å; H221-S223 PolarHBondContact O-N 2.96Å; H221-N226 PolarHBondContact O-ND2 2.96Å; H221-V232 HydrophobicContact CB-CB 4.24Å; H221-V232 HydrophobicContact CB-CG1 3.97Å; H221-V232 WeakPolarHBondContact CB-O 3.49Å; H221-V232 PolarHBondContact N-O 3.22Å; H221-K234 HydrophobicContact CB-CB 4.2Å
222	P	96.4	Very high	97.5	Very high	72 Å²	72	50 Å²	50	47%	0.468	23%	0.23	S	C	.	.			trans	-61.8	124.6	172.5	-19	31.8	0	0	0	110.2	G30 I31 Y220	G30-P222 VanDerWaalsContact O-CA 3.24Å; G30-P222 WeakPolarHBondContact O-CA 3.32Å; I31-P222 VanDerWaalsContact O-CB 3.3Å; I31-P222 WeakPolarHBondContact O-CB 3.47Å; Y220-P222 WeakPolarHBondContact O-CD 3.2Å
223	S	96.2	Very high	97.7	Very high	22 Å²	22	46.7 Å²	46.7	15%	0.154	22%	0.218	C	C	.	.			trans	-152.2	138.6	-172.3	175	0	0	0	0	111.1	G30 I31 H221 L225 N226	G30-S223 PolarHBondContact O-N 3.22Å; I31-S223 WeakPolarHBondContact CG1-O 3.39Å; H221-S223 PolarHBondContact O-N 2.96Å; S223-L225 PolarHBondContact O-N 2.79Å; S223-L225 VanDerWaalsContact O-N 3.11Å; S223-L225 PolarHBondContact OG-N 2.78Å; S223-L225 VanDerWaalsContact OG-N 3.14Å; S223-N226 PolarHBondContact N-ND2 2.85Å; S223-N226 VanDerWaalsContact O-CB 3.32Å; S223-N226 WeakPolarHBondContact O-CB 3.32Å; S223-N226 PolarHBondContact O-N 2.71Å
224	R	95.4	Very high	97.9	Very high	94 Å²	94	46.4 Å²	46.4	36%	0.355	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-9.8	172.6	-63.8	-165.1	-59.7	-152.9	2.1	113.7	I31 P43 R49	I31-R224 HydrophobicContact CG2-CG 4.21Å; P43-R224 VanDerWaalsContact CD-O 3.26Å; P43-R224 WeakPolarHBondContact CD-O 3.31Å; P43-R224 HydrophobicContact CG-CB 3.75Å; R49-R224 PolarHBondContact NH2-O 3.15Å
225	L	97.1	Very high	97.9	Very high	41 Å²	41	39.5 Å²	39.5	22%	0.215	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-13.9	172.9	-63	175.8	0	0	0	113.2	Y42 P43 L126 S223 T227	Y42-L225 HydrophobicContact CE1-CD2 3.78Å; Y42-L225 WeakPolarHBondContact CE2-O 3.5Å; Y42-L225 WeakPolarHBondContact OH-CA 3.4Å; Y42-L225 PolarHBondContact OH-O 3.01Å; P43-L225 HydrophobicContact CB-CD2 4.23Å; P43-L225 HydrophobicContact CG-CD2 3.93Å; L126-L225 HydrophobicContact CD2-CB 4.24Å; L126-L225 HydrophobicContact CD2-CD1 4.38Å; L126-L225 HydrophobicContact CG-CB 4.42Å; S223-L225 PolarHBondContact O-N 2.79Å; S223-L225 VanDerWaalsContact O-N 3.11Å; S223-L225 PolarHBondContact OG-N 2.78Å; S223-L225 VanDerWaalsContact OG-N 3.14Å; L225-T227 PolarHBondContact O-N 3.45Å
226	N	98.3	Very high	97.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.173	C	C	.	.			trans	-67	135.6	-178.9	-65.6	-16.4	0	0	0	110.4	G30 R49 Y220 H221 S223 A230 W231 V232	G30-N226 PolarHBondContact O-ND2 3.29Å; R49-N226 VanDerWaalsContact CZ-O 3.27Å; R49-N226 PolarHBondContact NH1-O 3.23Å; R49-N226 PolarHBondContact NH2-O 3.22Å; Y220-N226 PolarHBondContact OH-ND2 2.7Å; H221-N226 PolarHBondContact O-ND2 2.96Å; S223-N226 PolarHBondContact N-ND2 2.85Å; S223-N226 VanDerWaalsContact O-CB 3.32Å; S223-N226 WeakPolarHBondContact O-CB 3.32Å; S223-N226 PolarHBondContact O-N 2.71Å; N226-A230 CarbonylContact C-O 3.59Å; N226-A230 WeakPolarHBondContact CA-O 3.29Å; N226-W231 HydrophobicContact CB-CB 4.3Å; N226-W231 VanDerWaalsContact OD1-CA 3.26Å; N226-W231 WeakPolarHBondContact OD1-CA 3.38Å; N226-V232 PolarHBondContact OD1-N 3.5Å
227	T	98.1	Very high	98	Very high	0 Å²	0	34 Å²	34	0%	0	15%	0.153	C	C	.	.			trans	-118.6	179.1	173.1	66.9	0	0	0	0	109	Y42 N113 T118 I120 G122 L225 N229 A230	Y42-T227 HydrophobicContact CD2-CG2 4.45Å; Y42-T227 HydrophobicContact CE2-CG2 3.7Å; N113-T227 WeakPolarHBondContact CB-O 3.2Å; N113-T227 PolarHBondContact ND2-O 3.15Å; T118-T227 WeakPolarHBondContact CG2-O 3.2Å; T118-T227 WeakPolarHBondContact OG1-CA 3.46Å; I120-T227 HydrophobicContact CB-CG2 4.45Å; I120-T227 HydrophobicContact CG2-CG2 3.76Å; I120-T227 CarbonylContact O-C 3.59Å; I120-T227 WeakPolarHBondContact O-CB 3.02Å; G122-T227 VanDerWaalsContact O-CB 3.24Å; G122-T227 WeakPolarHBondContact O-CB 3.14Å; G122-T227 PolarHBondContact O-OG1 3.25Å; L225-T227 PolarHBondContact O-N 3.45Å; T227-N229 PolarHBondContact O-N 2.9Å; T227-N229 PolarHBondContact OG1-N 3.42Å; T227-A230 PolarHBondContact N-O 2.83Å; T227-A230 PolarHBondContact OG1-N 3.31Å; T227-A230 PolarHBondContact OG1-O 3.03Å
228	D	97.4	Very high	97.9	Very high	4 Å²	4	29.9 Å²	29.9	2%	0.021	14%	0.139	C	C	.	.	S	Bend	trans	-65.4	-18.9	174.7	-74.3	15.4	0	0	0	112.3	Y63 M112 N113 T118 I120 T121	Y63-D228 WeakPolarHBondContact CE1-OD2 2.79Å; Y63-D228 VanDerWaalsContact CZ-OD2 3.22Å; Y63-D228 PolarHBondContact OH-OD1 3.29Å; Y63-D228 VanDerWaalsContact OH-OD1 3.14Å; Y63-D228 PolarHBondContact OH-OD2 3.29Å; M112-D228 CarbonylContact C-O 3.59Å; M112-D228 WeakPolarHBondContact CA-O 3.47Å; N113-D228 WeakPolarHBondContact CB-O 3.36Å; N113-D228 PolarHBondContact N-O 3.38Å; T118-D228 WeakPolarHBondContact CA-OD1 3.32Å; T118-D228 WeakPolarHBondContact CB-OD1 3.37Å; T118-D228 PolarHBondContact N-OD1 3.27Å; T118-D228 PolarHBondContact OG1-N 3.46Å; T118-D228 PolarHBondContact OG1-OD1 3.4Å; I120-D228 WeakPolarHBondContact O-CB 3.32Å; I120-D228 PolarHBondContact O-N 3.37Å; T121-D228 HydrophobicContact CG2-CB 3.98Å
229	N	98.3	Very high	97.8	Very high	6 Å²	6	25.4 Å²	25.4	3%	0.032	12%	0.12	C	C	.	.	S	Bend	trans	-123.7	-2.6	-174.1	-47.2	113.3	0	0	0	114.4	P111 G122 W129 G130 T227	P111-N229 VanDerWaalsContact CG-O 3.32Å; P111-N229 WeakPolarHBondContact CG-O 3.31Å; P111-N229 VanDerWaalsContact O-CA 3.27Å; P111-N229 WeakPolarHBondContact O-CA 3.14Å; P111-N229 PolarHBondContact O-ND2 3.26Å; G122-N229 PolarHBondContact N-OD1 3.24Å; W129-N229 HydrophobicContact CE3-CB 3.59Å; W129-N229 HydrophobicContact CZ3-CB 3.5Å; G130-N229 PolarHBondContact N-O 3.03Å; T227-N229 PolarHBondContact O-N 2.9Å; T227-N229 PolarHBondContact OG1-N 3.42Å
230	A	98.6	Very high	97.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	137.4	174.2	0	0	0	0	0	110.7	R123 L126 R128 G130 N226 T227	R123-A230 HydrophobicContact CG-CB 4.38Å; L126-A230 HydrophobicContact CB-CB 4.18Å; L126-A230 HydrophobicContact CD1-CB 3.76Å; R128-A230 WeakPolarHBondContact O-CB 3.48Å; G130-A230 CarbonylContact O-C 3.59Å; G130-A230 VanDerWaalsContact O-CA 3.28Å; G130-A230 WeakPolarHBondContact O-CA 3.35Å; N226-A230 CarbonylContact C-O 3.59Å; N226-A230 WeakPolarHBondContact CA-O 3.29Å; T227-A230 PolarHBondContact N-O 2.83Å; T227-A230 PolarHBondContact OG1-N 3.31Å; T227-A230 PolarHBondContact OG1-O 3.03Å
231	W	98.7	Very high	96.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	160.1	-178.1	63	91.9	0	0	0	112.8	Y104 P111 N113 P114 G130 P131 N132 Y220 N226 E233	Y104-W231 AromaticContact CD1-CH2 3.7Å; Y104-W231 HydrophobicContact CD1-CH2 3.7Å; Y104-W231 AromaticContact CD1-CZ2 3.63Å; Y104-W231 HydrophobicContact CD1-CZ2 3.63Å; Y104-W231 AromaticContact CD2-CH2 3.92Å; Y104-W231 HydrophobicContact CD2-CH2 3.92Å; Y104-W231 HydrophobicContact CE1-CH2 4.04Å; Y104-W231 AromaticContact CE1-CZ2 3.97Å; Y104-W231 HydrophobicContact CE1-CZ2 3.97Å; Y104-W231 HydrophobicContact CE2-CH2 4.27Å; Y104-W231 AromaticContact CG-CH2 3.63Å; Y104-W231 HydrophobicContact CG-CH2 3.63Å; Y104-W231 HydrophobicContact CG-CZ2 4Å; P111-W231 HydrophobicContact CB-CH2 4.46Å; P111-W231 HydrophobicContact CB-CZ3 4.41Å; N113-W231 HydrophobicContact CB-CE3 3.86Å; N113-W231 HydrophobicContact CB-CZ3 4.3Å; P114-W231 HydrophobicContact CG-CD2 4.48Å; P114-W231 HydrophobicContact CG-CZ2 3.96Å; G130-W231 VanDerWaalsContact CA-CZ3 3.49Å; G130-W231 PolarHBondContact O-N 3Å; P131-W231 CarbonylContact C-O 3.58Å; P131-W231 WeakPolarHBondContact CA-O 3.43Å; P131-W231 HydrophobicContact CB-CZ2 4.16Å; P131-W231 HydrophobicContact CG-CZ2 4.33Å; N132-W231 PolarHBondContact N-O 3.45Å; Y220-W231 AromaticContact CD2-CD1 3.62Å; Y220-W231 HydrophobicContact CD2-CG 4.28Å; Y220-W231 HydrophobicContact CE2-CB 3.75Å; Y220-W231 AromaticContact CE2-CD1 3.39Å; Y220-W231 HydrophobicContact CE2-CD2 4.49Å; Y220-W231 AromaticContact CE2-CG 3.6Å; Y220-W231 HydrophobicContact CE2-CG 3.6Å; N226-W231 HydrophobicContact CB-CB 4.3Å; N226-W231 VanDerWaalsContact OD1-CA 3.26Å; N226-W231 WeakPolarHBondContact OD1-CA 3.38Å; W231-E233 PolarHBondContact NE1-OE1 2.93Å
232	V	98.8	Very high	95.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	136.8	-179.4	-176.7	0	0	0	0	111	L126 N132 I134 Y173 H221 N226	L126-V232 HydrophobicContact CD1-CG2 4.18Å; L126-V232 HydrophobicContact CD2-CG2 3.75Å; N132-V232 WeakPolarHBondContact O-CA 3.47Å; I134-V232 HydrophobicContact CD1-CG1 3.45Å; I134-V232 VanDerWaalsContact CD1-CG1 3.45Å; I134-V232 HydrophobicContact CG1-CG1 3.85Å; Y173-V232 HydrophobicContact CE1-CG1 4.37Å; Y173-V232 HydrophobicContact CE1-CG2 4.22Å; H221-V232 HydrophobicContact CB-CB 4.24Å; H221-V232 HydrophobicContact CB-CG1 3.97Å; H221-V232 WeakPolarHBondContact CB-O 3.49Å; H221-V232 PolarHBondContact N-O 3.22Å; N226-V232 PolarHBondContact OD1-N 3.5Å
233	E	98.8	Very high	94.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	144.1	169.6	-56.7	-167.7	165.8	0	0	110	S99 V100 P131 N132 H133 I134 Y219 W231	S99-E233 WeakPolarHBondContact CA-OE1 3.32Å; S99-E233 WeakPolarHBondContact CA-OE2 3.48Å; S99-E233 VanDerWaalsContact CB-OE1 3.26Å; S99-E233 WeakPolarHBondContact CB-OE1 3.38Å; S99-E233 PolarHBondContact OG-OE1 3.17Å; V100-E233 WeakPolarHBondContact CG1-OE2 3.4Å; V100-E233 HydrophobicContact CG2-CG 4.36Å; V100-E233 WeakPolarHBondContact CG2-OE2 3.27Å; V100-E233 PolarHBondContact N-OE1 2.91Å; V100-E233 PolarHBondContact N-OE2 3.32Å; P131-E233 HydrophobicContact CB-CG 4.36Å; N132-E233 PolarHBondContact O-N 3.4Å; H133-E233 CarbonylContact C-O 3.57Å; H133-E233 WeakPolarHBondContact CA-O 3.07Å; H133-E233 IonicContact CE1-OE2 3.34Å; I134-E233 PolarHBondContact N-O 2.78Å; Y219-E233 WeakPolarHBondContact O-CA 3.31Å; W231-E233 PolarHBondContact NE1-OE1 2.93Å
234	K	98.6	Very high	93.4	Very high	37 Å²	37	36.5 Å²	36.5	16%	0.161	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	129.6	-172.7	-164.6	164.3	-176	-178.9	0	110.6	I134 C136 C171 K218 Y219 H221	I134-K234 HydrophobicContact CB-CG 4.3Å; I134-K234 HydrophobicContact CG2-CG 4.23Å; I134-K234 WeakPolarHBondContact O-CA 3.48Å; C136-K234 WeakPolarHBondContact SG-CE 3.48Å; C171-K234 VanDerWaalsContact SG-CE 3.54Å; K218-K234 WeakPolarHBondContact CA-O 3.28Å; Y219-K234 WeakPolarHBondContact CD1-O 3.12Å; Y219-K234 HydrophobicContact CE1-CB 4.01Å; Y219-K234 HydrophobicContact CE1-CG 4.36Å; Y219-K234 HydrophobicContact CE2-CB 4.4Å; Y219-K234 PolarHBondContact N-O 3.33Å; Y219-K234 PolarHBondContact O-N 3.05Å; H221-K234 HydrophobicContact CB-CB 4.2Å
235	T	98.8	Very high	92.6	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	128.5	175.5	-58.3	0	0	0	0	109.1	I134 C136 L215 R217 K218 W237	I134-T235 PolarHBondContact O-N 2.77Å; C136-T235 PolarHBondContact N-O 2.66Å; L215-T235 HydrophobicContact CD1-CG2 3.63Å; R217-T235 CarbonylContact O-C 3.56Å; R217-T235 WeakPolarHBondContact O-CA 3.25Å; K218-T235 HydrophobicContact CB-CG2 4.33Å; T235-W237 HydrophobicContact CG2-CD2 4.19Å; T235-W237 VanDerWaalsContact CG2-CE2 3.42Å; T235-W237 HydrophobicContact CG2-CH2 4.36Å; T235-W237 HydrophobicContact CG2-CZ2 3.51Å
236	I	98.6	Very high	92	Very high	27 Å²	27	39.4 Å²	39.4	14%	0.138	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	120.2	-179.9	-56.3	175.3	0	0	0	108.1	C136 D138 I169 T216 R217 Y219	C136-I236 HydrophobicContact CB-CG1 4.17Å; D138-I236 HydrophobicContact CB-CG2 4.19Å; I169-I236 HydrophobicContact CD1-CG2 4.08Å; T216-I236 WeakPolarHBondContact CB-O 3.1Å; T216-I236 PolarHBondContact N-O 3.41Å; R217-I236 PolarHBondContact N-O 3.35Å; R217-I236 PolarHBondContact O-N 3.49Å; Y219-I236 HydrophobicContact CE1-CD1 4.14Å
237	W	98.5	Very high	91.5	Very high	17 Å²	17	39.6 Å²	39.6	6%	0.064	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	126.9	177.1	-63.3	112.1	0	0	0	109.1	S135 C136 D138 P177 Y178 K213 L215 T235 L239	S135-W237 PolarHBondContact OG-NE1 2.97Å; C136-W237 WeakPolarHBondContact O-CB 3.35Å; C136-W237 PolarHBondContact O-N 2.96Å; D138-W237 PolarHBondContact N-O 3.14Å; P177-W237 VanDerWaalsContact O-CE2 3.24Å; P177-W237 WeakPolarHBondContact O-CZ2 3.4Å; P177-W237 PolarHBondContact O-NE1 2.89Å; Y178-W237 AromaticContact CD1-CH2 3.81Å; Y178-W237 HydrophobicContact CD1-CH2 3.81Å; Y178-W237 AromaticContact CD1-CZ2 3.87Å; Y178-W237 HydrophobicContact CD1-CZ2 3.87Å; Y178-W237 HydrophobicContact CE1-CH2 4.34Å; Y178-W237 HydrophobicContact CE1-CZ2 4.45Å; K213-W237 HydrophobicContact CB-CB 4.06Å; K213-W237 HydrophobicContact CB-CD2 4.37Å; K213-W237 HydrophobicContact CB-CE3 4.06Å; K213-W237 HydrophobicContact CB-CG 4.38Å; K213-W237 HydrophobicContact CD-CD2 3.76Å; K213-W237 HydrophobicContact CD-CE3 3.85Å; K213-W237 HydrophobicContact CD-CG 4.04Å; K213-W237 HydrophobicContact CD-CZ3 4.34Å; K213-W237 HydrophobicContact CG-CD2 4.17Å; K213-W237 HydrophobicContact CG-CE3 3.78Å; K213-W237 HydrophobicContact CG-CZ3 4.25Å; L215-W237 VanDerWaalsContact CA-CZ3 3.49Å; L215-W237 HydrophobicContact CB-CE3 4.05Å; L215-W237 HydrophobicContact CB-CH2 4.13Å; L215-W237 HydrophobicContact CB-CZ3 3.49Å; L215-W237 VanDerWaalsContact CB-CZ3 3.49Å; L215-W237 HydrophobicContact CD1-CE3 4.28Å; L215-W237 HydrophobicContact CD1-CH2 3.98Å; L215-W237 HydrophobicContact CD1-CZ2 4.36Å; L215-W237 HydrophobicContact CD1-CZ3 3.97Å; L215-W237 HydrophobicContact CG-CZ3 4.29Å; T235-W237 HydrophobicContact CG2-CD2 4.19Å; T235-W237 VanDerWaalsContact CG2-CE2 3.42Å; T235-W237 HydrophobicContact CG2-CH2 4.36Å; T235-W237 HydrophobicContact CG2-CZ2 3.51Å; W237-L239 HydrophobicContact CB-CD1 3.72Å; W237-L239 WeakPolarHBondContact O-CD1 3.38Å
238	K	97.5	Very high	91	Very high	72 Å²	72	43.1 Å²	43.1	31%	0.313	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	130.7	169.7	175.5	179.5	-179.7	-173.6	0	109	D138 K214 T216	D138-K238 WeakPolarHBondContact O-CA 3.32Å; K214-K238 PolarHBondContact N-O 3.48Å; K214-K238 PolarHBondContact O-N 3.13Å; T216-K238 WeakPolarHBondContact OG1-CB 3.49Å; T216-K238 PolarHBondContact OG1-N 2.94Å
239	L	95.1	Very high	90.5	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.016	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	131.2	176.8	-64.2	72.6	0	0	0	107.1	I137 D138 L139 R140 I209 F210 K213 W237	I137-L239 HydrophobicContact CB-CD1 4.23Å; I137-L239 HydrophobicContact CD1-CD2 4.43Å; I137-L239 HydrophobicContact CG1-CD1 4.12Å; I137-L239 HydrophobicContact CG1-CD2 4.49Å; I137-L239 HydrophobicContact CG2-CD1 3.73Å; I137-L239 HydrophobicContact CG2-CD2 3.98Å; I137-L239 HydrophobicContact CG2-CG 4.33Å; D138-L239 PolarHBondContact O-N 3.19Å; L139-L239 WeakPolarHBondContact CA-O 3.26Å; L139-L239 HydrophobicContact CD1-CB 3.69Å; R140-L239 PolarHBondContact N-O 2.94Å; I209-L239 HydrophobicContact CG2-CB 4.27Å; I209-L239 HydrophobicContact CG2-CD2 3.63Å; F210-L239 HydrophobicContact CB-CD2 4.44Å; F210-L239 HydrophobicContact CD2-CD2 4.25Å; K213-L239 HydrophobicContact CB-CD1 4.15Å; K213-L239 HydrophobicContact CB-CG 4.17Å; W237-L239 HydrophobicContact CB-CD1 3.72Å; W237-L239 WeakPolarHBondContact O-CD1 3.38Å
240	L	91.4	Very high	90.2	Very high	56 Å²	56	44.9 Å²	44.9	29%	0.293	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	119	173	-66.1	-179.6	0	0	0	107.7	R140 Y242	R140-L240 HydrophobicContact CB-CD2 3.95Å; R140-L240 WeakPolarHBondContact O-CA 3.45Å; L240-Y242 HydrophobicContact CB-CE1 4.4Å
241	E	86.3	Confident	89.9	Confident	3 Å²	3	47.3 Å²	47.3	1%	0.014	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	127.3	165.4	173.5	178.6	-152.9	0	0	108.2	L139 R140 R141 D246 L247	L139-E241 HydrophobicContact CD1-CB 4.21Å; R140-E241 PolarHBondContact O-N 3.06Å; R141-E241 HydrophobicContact CB-CB 4.13Å; R141-E241 HydrophobicContact CB-CG 4.38Å; R141-E241 IonicContact CZ-OE1 2.68Å; R141-E241 IonicContact CZ-OE2 3.52Å; R141-E241 IonicContact NE-OE2 3.73Å; R141-E241 PolarHBondContact NE-OE2 2.92Å; R141-E241 VanDerWaalsContact NH2-CD 3.29Å; R141-E241 IonicContact NH2-OE1 2.85Å; R141-E241 PolarHBondContact NH2-OE1 2.8Å; R141-E241 VanDerWaalsContact NH2-OE1 3.15Å; R141-E241 IonicContact NH2-OE2 3.4Å; R141-E241 PolarHBondContact NH2-OE2 3.08Å; E241-D246 HydrophobicContact CG-CB 4.25Å; E241-D246 PolarHBondContact OE1-N 3.49Å; E241-L247 WeakPolarHBondContact OE1-CA 3.4Å; E241-L247 VanDerWaalsContact OE1-CB 3.32Å; E241-L247 WeakPolarHBondContact OE1-CB 3.26Å; E241-L247 PolarHBondContact OE1-N 2.83Å
242	Y	77.7	Confident	89.6	Confident	126 Å²	126	49.8 Å²	49.8	49%	0.494	23%	0.229	S	C	.	.			trans	-93	127.8	179.4	-58.4	-71.3	0	0	0	109.5	L240 N244 Y245	L240-Y242 HydrophobicContact CB-CE1 4.4Å; Y242-N244 PolarHBondContact O-N 3Å; Y242-N244 VanDerWaalsContact O-N 3.08Å; Y242-Y245 WeakPolarHBondContact O-CB 3.16Å; Y242-Y245 PolarHBondContact O-N 3.4Å
243	W	68.8	Low	89.3	Confident	221 Å²	221	57.9 Å²	57.9	84%	0.837	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	34.9	168	-55.1	108.3	0	0	0	115.5	Y245	W243-Y245 PolarHBondContact O-N 3.06Å
244	N	71.9	Confident	89.1	Confident	58 Å²	58	63.2 Å²	63.2	31%	0.31	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	22.2	-177.7	-168.7	41.9	0	0	0	113.6	R141 Y242 S248	R141-N244 PolarHBondContact NH1-OD1 3.09Å; R141-N244 PolarHBondContact NH2-OD1 2.87Å; Y242-N244 PolarHBondContact O-N 3Å; Y242-N244 VanDerWaalsContact O-N 3.08Å; N244-S248 WeakPolarHBondContact O-CA 3.43Å; N244-S248 WeakPolarHBondContact O-CB 3.38Å; N244-S248 PolarHBondContact O-N 3.33Å
245	Y	77.8	Confident	88.9	Confident	184 Å²	184	61.8 Å²	61.8	72%	0.722	29%	0.285	S	S	*	.			trans	-69.8	-44.1	-172.3	-173.1	-101.7	0	0	0	112	Y242 W243 S248	Y242-Y245 WeakPolarHBondContact O-CB 3.16Å; Y242-Y245 PolarHBondContact O-N 3.4Å; W243-Y245 PolarHBondContact O-N 3.06Å; Y245-S248 PolarHBondContact O-OG 3.34Å; Y245-S248 VanDerWaalsContact O-OG 3.09Å
246	D	83.4	Confident	88.7	Confident	13 Å²	13	66.8 Å²	66.8	7%	0.07	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-43.5	-166.6	-54.6	-77.6	0	0	0	113.3	I205 Y208 I209 R212 E241	I205-D246 WeakPolarHBondContact CG2-O 3.25Å; Y208-D246 WeakPolarHBondContact CD1-OD1 3.34Å; Y208-D246 WeakPolarHBondContact CE1-OD1 3.41Å; I209-D246 HydrophobicContact CD1-CB 3.52Å; I209-D246 HydrophobicContact CG1-CB 3.49Å; I209-D246 VanDerWaalsContact CG1-CB 3.49Å; R212-D246 IonicContact CZ-OD1 3.35Å; R212-D246 IonicContact CZ-OD2 2.74Å; R212-D246 IonicContact NH1-OD1 3.74Å; R212-D246 IonicContact NH1-OD2 3.34Å; R212-D246 PolarHBondContact NH1-OD2 3.27Å; R212-D246 IonicContact NH2-OD1 3.57Å; R212-D246 PolarHBondContact NH2-OD1 3.13Å; R212-D246 IonicContact NH2-OD2 3.48Å; R212-D246 PolarHBondContact NH2-OD2 3.25Å; E241-D246 HydrophobicContact CG-CB 4.25Å; E241-D246 PolarHBondContact OE1-N 3.49Å
247	L	89.1	Confident	88.5	Confident	4 Å²	4	68.8 Å²	68.8	2%	0.021	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	27.7	-178.5	-56.3	178.1	0	0	0	111.8	L139 L193 I205 L206 I209 E241 S249 L250 W260	L139-L247 HydrophobicContact CD2-CD1 3.48Å; L139-L247 VanDerWaalsContact CD2-CD1 3.48Å; L193-L247 HydrophobicContact CD1-CD2 3.74Å; L193-L247 HydrophobicContact CD2-CD2 4.2Å; L193-L247 HydrophobicContact CG-CD2 4.48Å; I205-L247 HydrophobicContact CG2-CD2 4.03Å; L206-L247 HydrophobicContact CD2-CD2 4.21Å; I209-L247 HydrophobicContact CD1-CD1 4.32Å; I209-L247 HydrophobicContact CD1-CD2 3.57Å; I209-L247 HydrophobicContact CD1-CG 3.72Å; E241-L247 WeakPolarHBondContact OE1-CA 3.4Å; E241-L247 VanDerWaalsContact OE1-CB 3.32Å; E241-L247 WeakPolarHBondContact OE1-CB 3.26Å; E241-L247 PolarHBondContact OE1-N 2.83Å; L247-S249 PolarHBondContact O-N 2.74Å; L247-L250 HydrophobicContact CB-CB 4.4Å; L247-L250 VanDerWaalsContact O-CB 3.28Å; L247-L250 WeakPolarHBondContact O-CB 3.43Å; L247-L250 PolarHBondContact O-N 3.35Å; L247-W260 HydrophobicContact CD1-CZ2 4.26Å
248	S	86.5	Confident	88.4	Confident	74 Å²	74	68.1 Å²	68.1	52%	0.517	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-35	175.7	40.9	0	0	0	0	113	N244 Y245 L250	N244-S248 WeakPolarHBondContact O-CA 3.43Å; N244-S248 WeakPolarHBondContact O-CB 3.38Å; N244-S248 PolarHBondContact O-N 3.33Å; Y245-S248 PolarHBondContact O-OG 3.34Å; Y245-S248 VanDerWaalsContact O-OG 3.09Å; S248-L250 VanDerWaalsContact C-N 3.25Å; S248-L250 PolarHBondContact O-N 2.85Å
249	S	88.6	Confident	88.3	Confident	32 Å²	32	67 Å²	67	22%	0.224	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-3.6	-179	53	0	0	0	0	113.9	L193 Q196 N197 L247 N251	L193-S249 WeakPolarHBondContact CD2-OG 3.21Å; Q196-S249 WeakPolarHBondContact CG-O 3.48Å; N197-S249 PolarHBondContact ND2-OG 3.15Å; N197-S249 PolarHBondContact OD1-OG 3.34Å; L247-S249 PolarHBondContact O-N 2.74Å; S249-N251 PolarHBondContact O-N 3.1Å
250	L	90.4	Very high	88.3	Confident	15 Å²	15	69.1 Å²	69.1	8%	0.079	33%	0.334	C	S	.	.			trans	-73.4	111.4	-177.8	-167	69.6	0	0	0	110.7	I189 E192 L193 L247 S248 M252 I255	I189-L250 HydrophobicContact CB-CD1 4.49Å; I189-L250 HydrophobicContact CG2-CD1 3.94Å; I189-L250 HydrophobicContact CG2-CD2 4.28Å; E192-L250 HydrophobicContact CB-CD1 3.86Å; E192-L250 HydrophobicContact CG-CD1 3.79Å; L193-L250 HydrophobicContact CD2-CB 4.44Å; L193-L250 HydrophobicContact CD2-CD1 4.22Å; L193-L250 HydrophobicContact CG-CD1 4.07Å; L247-L250 HydrophobicContact CB-CB 4.4Å; L247-L250 VanDerWaalsContact O-CB 3.28Å; L247-L250 WeakPolarHBondContact O-CB 3.43Å; L247-L250 PolarHBondContact O-N 3.35Å; S248-L250 VanDerWaalsContact C-N 3.25Å; S248-L250 PolarHBondContact O-N 2.85Å; L250-M252 HydrophobicContact CD2-SD 3.54Å; L250-M252 VanDerWaalsContact CD2-SD 3.54Å; L250-M252 HydrophobicContact CG-SD 4.02Å; L250-M252 PolarHBondContact O-N 3Å; L250-I255 HydrophobicContact CD1-CD1 3.76Å; L250-I255 HydrophobicContact CD2-CD1 3.74Å; L250-I255 HydrophobicContact CG-CD1 3.68Å
251	N	92.5	Very high	88.5	Confident	50 Å²	50	71.2 Å²	71.2	27%	0.267	34%	0.341	S	S	.	.			trans	-80.1	102.5	170.3	-171.5	-8.6	0	0	0	110.4	E192 S249 E253 H254	E192-N251 WeakPolarHBondContact OE1-CB 3.45Å; S249-N251 PolarHBondContact O-N 3.1Å; N251-E253 PolarHBondContact O-N 3.15Å; N251-E253 WeakPolarHBondContact OD1-CB 3.37Å; N251-E253 PolarHBondContact OD1-N 3.21Å; N251-H254 PolarHBondContact ND2-CE1 3.39Å; N251-H254 VanDerWaalsContact ND2-CE1 3.34Å; N251-H254 PolarHBondContact ND2-NE2 2.92Å; N251-H254 PolarHBondContact O-N 2.92Å
252	M	92.1	Very high	88.9	Confident	53 Å²	53	75.2 Å²	75.2	26%	0.261	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-64.6	-23.8	-178.6	-63.6	-62.2	-54.9	0	0	113.4	L250 H254 I255 V258	L250-M252 HydrophobicContact CD2-SD 3.54Å; L250-M252 VanDerWaalsContact CD2-SD 3.54Å; L250-M252 HydrophobicContact CG-SD 4.02Å; L250-M252 PolarHBondContact O-N 3Å; M252-H254 VanDerWaalsContact C-N 3.26Å; M252-H254 PolarHBondContact O-N 3.21Å; M252-I255 HydrophobicContact CE-CD1 4.23Å; M252-I255 HydrophobicContact CE-CG1 4.44Å; M252-I255 PolarHBondContact O-N 2.99Å; M252-I255 HydrophobicContact SD-CD1 3.88Å; M252-I255 HydrophobicContact SD-CG1 4.39Å; M252-V258 HydrophobicContact CE-CB 4.2Å; M252-V258 HydrophobicContact CE-CG1 4.07Å; M252-V258 WeakPolarHBondContact CE-O 3.41Å
253	E	93.1	Very high	89.8	Confident	170 Å²	170	72.3 Å²	72.3	79%	0.794	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-67.7	-27.9	179.1	-61.8	-177.3	169.9	0	0	112.2	N251	N251-E253 PolarHBondContact O-N 3.15Å; N251-E253 WeakPolarHBondContact OD1-CB 3.37Å; N251-E253 PolarHBondContact OD1-N 3.21Å
254	H	94.8	Very high	91.1	Very high	112 Å²	112	67.6 Å²	67.6	52%	0.519	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-83.4	-10.8	178.7	-63.6	173.5	0	0	0	113.7	E192 N251 M252 P256	E192-H254 IonicContact OE1-ND1 2.73Å; E192-H254 PolarHBondContact OE1-ND1 2.89Å; E192-H254 VanDerWaalsContact OE2-CB 3.27Å; E192-H254 WeakPolarHBondContact OE2-CB 3.13Å; E192-H254 IonicContact OE2-CG 3.2Å; E192-H254 IonicContact OE2-ND1 2.85Å; E192-H254 PolarHBondContact OE2-ND1 2.92Å; N251-H254 PolarHBondContact ND2-CE1 3.39Å; N251-H254 VanDerWaalsContact ND2-CE1 3.34Å; N251-H254 PolarHBondContact ND2-NE2 2.92Å; N251-H254 PolarHBondContact O-N 2.92Å; M252-H254 VanDerWaalsContact C-N 3.26Å; M252-H254 PolarHBondContact O-N 3.21Å; H254-P256 VanDerWaalsContact C-CD 3.44Å; H254-P256 WeakPolarHBondContact O-CD 3.48Å
255	I	94.8	Very high	92.3	Very high	6 Å²	6	69.3 Å²	69.3	3%	0.031	35%	0.347	C	S	.	.			trans	-124.4	64.8	-176.7	54.2	173.7	0	0	0	111.5	I189 E192 L250 M252 N257 V258	I189-I255 HydrophobicContact CG1-CD1 4.41Å; E192-I255 HydrophobicContact CB-CG2 3.84Å; E192-I255 HydrophobicContact CG-CG2 4.36Å; L250-I255 HydrophobicContact CD1-CD1 3.76Å; L250-I255 HydrophobicContact CD2-CD1 3.74Å; L250-I255 HydrophobicContact CG-CD1 3.68Å; M252-I255 HydrophobicContact CE-CD1 4.23Å; M252-I255 HydrophobicContact CE-CG1 4.44Å; M252-I255 PolarHBondContact O-N 2.99Å; M252-I255 HydrophobicContact SD-CD1 3.88Å; M252-I255 HydrophobicContact SD-CG1 4.39Å; I255-N257 PolarHBondContact O-N 3.3Å; I255-V258 HydrophobicContact CB-CB 4.35Å; I255-V258 HydrophobicContact CB-CG2 4.12Å; I255-V258 HydrophobicContact CD1-CB 3.91Å; I255-V258 HydrophobicContact CD1-CG1 4.29Å; I255-V258 HydrophobicContact CD1-CG2 4.13Å; I255-V258 HydrophobicContact CG1-CB 4.18Å; I255-V258 HydrophobicContact CG1-CG2 4.42Å; I255-V258 PolarHBondContact O-N 3.2Å
256	P	93.7	Very high	93.1	Very high	107 Å²	107	63.5 Å²	63.5	70%	0.695	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-14.8	-172.3	27	-37.1	0	0	0	114.2	H254 V258	H254-P256 VanDerWaalsContact C-CD 3.44Å; H254-P256 WeakPolarHBondContact O-CD 3.48Å; P256-V258 VanDerWaalsContact C-N 3.28Å
257	N	94.5	Very high	93.7	Very high	68 Å²	68	67.6 Å²	67.6	36%	0.364	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	1.9	174.3	70.1	-48.5	0	0	0	113.6	V156 V157 S188 I255	V156-N257 CarbonylContact C-O 3.54Å; V156-N257 VanDerWaalsContact CA-O 3.31Å; V156-N257 WeakPolarHBondContact CA-O 3.17Å; V157-N257 HydrophobicContact CB-CB 4.39Å; V157-N257 PolarHBondContact N-O 2.85Å; S188-N257 PolarHBondContact OG-ND2 3.33Å; I255-N257 PolarHBondContact O-N 3.3Å
258	V	96.2	Very high	93.7	Very high	4 Å²	4	75.3 Å²	75.3	2%	0.024	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	133.1	-179.3	-169.3	0	0	0	0	108.8	L154 R155 V156 S188 I189 M252 I255 P256	L154-V258 HydrophobicContact CD1-CG1 3.48Å; L154-V258 VanDerWaalsContact CD1-CG1 3.48Å; L154-V258 HydrophobicContact CG-CG1 4.12Å; R155-V258 CarbonylContact O-C 3.56Å; R155-V258 WeakPolarHBondContact O-CA 3.39Å; V156-V258 HydrophobicContact CG1-CG1 4.42Å; V156-V258 HydrophobicContact CG1-CG2 4.28Å; S188-V258 VanDerWaalsContact OG-CG2 3.31Å; S188-V258 WeakPolarHBondContact OG-CG2 3.48Å; I189-V258 HydrophobicContact CD1-CG1 4.03Å; I189-V258 HydrophobicContact CG1-CG1 4.16Å; I189-V258 HydrophobicContact CG1-CG2 4.16Å; M252-V258 HydrophobicContact CE-CB 4.2Å; M252-V258 HydrophobicContact CE-CG1 4.07Å; M252-V258 WeakPolarHBondContact CE-O 3.41Å; I255-V258 HydrophobicContact CB-CB 4.35Å; I255-V258 HydrophobicContact CB-CG2 4.12Å; I255-V258 HydrophobicContact CD1-CB 3.91Å; I255-V258 HydrophobicContact CD1-CG1 4.29Å; I255-V258 HydrophobicContact CD1-CG2 4.13Å; I255-V258 HydrophobicContact CG1-CB 4.18Å; I255-V258 HydrophobicContact CG1-CG2 4.42Å; I255-V258 PolarHBondContact O-N 3.2Å; P256-V258 VanDerWaalsContact C-N 3.28Å
259	V	95.6	Very high	94	Very high	49 Å²	49	75.4 Å²	75.4	30%	0.297	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	150.5	-178.6	-57.8	0	0	0	0	111.4	R155 L167	R155-V259 HydrophobicContact CB-CG2 3.83Å; R155-V259 PolarHBondContact N-O 3.09Å; R155-V259 PolarHBondContact O-N 3.5Å; L167-V259 HydrophobicContact CD1-CG2 3.97Å; L167-V259 HydrophobicContact CD2-CG2 3.72Å; L167-V259 HydrophobicContact CG-CG2 4.47Å
260	W	94.4	Very high	94.3	Very high	46 Å²	46	77.6 Å²	77.6	17%	0.174	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	112.5	165	-72.6	103.5	0	0	0	109.9	L139 R141 L152 L154 L247	L139-W260 HydrophobicContact CD2-CH2 3.76Å; L139-W260 HydrophobicContact CD2-CZ2 4.37Å; L139-W260 HydrophobicContact CG-CH2 3.92Å; L139-W260 HydrophobicContact CG-CZ3 4.49Å; R141-W260 HydrophobicContact CB-CZ3 4.38Å; R141-W260 HydrophobicContact CG-CD2 4.48Å; R141-W260 HydrophobicContact CG-CE3 3.97Å; R141-W260 HydrophobicContact CG-CH2 4.09Å; R141-W260 HydrophobicContact CG-CZ3 3.73Å; L152-W260 HydrophobicContact CB-CB 4.4Å; L152-W260 HydrophobicContact CB-CE3 3.84Å; L152-W260 HydrophobicContact CD2-CB 3.94Å; L152-W260 HydrophobicContact CD2-CG 4.4Å; L152-W260 HydrophobicContact CG-CB 4.43Å; L154-W260 HydrophobicContact CB-CE3 4.08Å; L154-W260 HydrophobicContact CB-CH2 3.82Å; L154-W260 HydrophobicContact CB-CZ2 4.25Å; L154-W260 HydrophobicContact CB-CZ3 3.71Å; L154-W260 HydrophobicContact CD1-CD2 4.15Å; L154-W260 HydrophobicContact CD1-CE3 4.48Å; L154-W260 HydrophobicContact CD1-CH2 4.1Å; L154-W260 HydrophobicContact CD1-CZ2 3.64Å; L154-W260 HydrophobicContact CD1-CZ3 4.49Å; L154-W260 HydrophobicContact CG-CZ2 4.5Å; L154-W260 VanDerWaalsContact N-CZ3 3.32Å; L247-W260 HydrophobicContact CD1-CZ2 4.26Å
261	K	96.1	Very high	94.5	Very high	101 Å²	101	81.1 Å²	81.1	44%	0.439	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	124.5	176.7	-176.9	176.9	-179.2	176.2	0	110	L152 Q153 R155 I263	L152-K261 CarbonylContact C-O 3.49Å; L152-K261 WeakPolarHBondContact CA-O 3.11Å; Q153-K261 PolarHBondContact N-O 3.22Å; Q153-K261 PolarHBondContact O-N 3.41Å; R155-K261 HydrophobicContact CG-CB 3.87Å; R155-K261 HydrophobicContact CG-CD 4.46Å; K261-I263 HydrophobicContact CG-CG2 4.4Å; K261-I263 PolarHBondContact O-N 3.18Å
262	I	95.7	Very high	94.6	Very high	86 Å²	86	82.9 Å²	82.9	44%	0.441	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	126	167.8	-63	165.2	0	0	0	108.5	Y150 L152 I265	Y150-I262 HydrophobicContact CD1-CD1 4.14Å; Y150-I262 HydrophobicContact CD1-CG2 4.39Å; L152-I262 HydrophobicContact CD1-CG1 4.12Å; L152-I262 HydrophobicContact CG-CG1 4.25Å; I262-I265 HydrophobicContact CG2-CD1 4.15Å; I262-I265 HydrophobicContact CG2-CG1 3.67Å
263	I	96.4	Very high	94.8	Very high	66 Å²	66	84.8 Å²	84.8	34%	0.338	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	-17.3	179.7	57.2	161.3	0	0	0	113.5	L151 Q153 K261	L151-I263 HydrophobicContact CB-CG1 4.22Å; L151-I263 HydrophobicContact CD2-CD1 3.65Å; L151-I263 HydrophobicContact CD2-CG1 3.95Å; L151-I263 HydrophobicContact CG-CD1 3.88Å; L151-I263 HydrophobicContact CG-CG1 3.84Å; L151-I263 WeakPolarHBondContact O-CG1 3.34Å; L151-I263 PolarHBondContact O-N 3.43Å; Q153-I263 HydrophobicContact CB-CD1 3.96Å; Q153-I263 HydrophobicContact CB-CG1 4.2Å; Q153-I263 HydrophobicContact CB-CG2 3.81Å; K261-I263 HydrophobicContact CG-CG2 4.4Å; K261-I263 PolarHBondContact O-N 3.18Å
264	K	96.1	Very high	94.9	Very high	121 Å²	121	79.1 Å²	79.1	53%	0.526	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	141.9	171.5	-174.9	-178.1	175.8	-170.1	0	109.2	L151 T266	L151-K264 HydrophobicContact CB-CB 3.96Å; L151-K264 HydrophobicContact CD2-CB 4.36Å; L151-K264 PolarHBondContact N-O 2.93Å; L151-K264 PolarHBondContact O-N 3.08Å; K264-T266 WeakPolarHBondContact CE-OG1 3.48Å
265	I	96.2	Very high	94.9	Very high	95 Å²	95	76.8 Å²	76.8	49%	0.487	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	130.9	168.8	-52.5	178.3	0	0	0	106.2	A148 Y150 I262	A148-I265 HydrophobicContact CB-CG2 3.94Å; Y150-I265 HydrophobicContact CD1-CB 4.48Å; Y150-I265 HydrophobicContact CD1-CD1 4.16Å; Y150-I265 HydrophobicContact CD1-CG1 3.82Å; Y150-I265 HydrophobicContact CD1-CG2 4.13Å; Y150-I265 HydrophobicContact CE1-CD1 4Å; Y150-I265 HydrophobicContact CE1-CG1 4.09Å; Y150-I265 HydrophobicContact CE1-CG2 3.92Å; I262-I265 HydrophobicContact CG2-CD1 4.15Å; I262-I265 HydrophobicContact CG2-CG1 3.67Å
266	T	95.6	Very high	94.9	Very high	61 Å²	61	82.2 Å²	82.2	37%	0.374	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	108.3	174.9	-47.4	0	0	0	0	106.9	A148 V149 K264	A148-T266 CarbonylContact C-O 3.39Å; A148-T266 WeakPolarHBondContact CA-O 3.48Å; V149-T266 PolarHBondContact N-O 2.89Å; V149-T266 PolarHBondContact O-N 3.18Å; K264-T266 WeakPolarHBondContact CE-OG1 3.48Å
267	P	94.6	Very high	95	Very high	100 Å²	100	80.2 Å²	80.2	65%	0.649	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.4	144.3	170.7	-21.4	33.4	0	0	0	110.4
268	L	89	Confident	95.1	Very high	165 Å²	165	81.3 Å²	81.3	86%	0.864	42%	0.42	S	S	*	.			trans	-80.4	0	170.4	-70.5	177.3	0	0	0	111.2	N145 T147 V149	N145-L268 WeakPolarHBondContact O-CD1 3.34Å; T147-L268 PolarHBondContact O-N 2.71Å; V149-L268 HydrophobicContact CG2-CD2 3.89Å; V149-L268 HydrophobicContact CG2-CG 4.43Å

Retrieved 268 of 268 residues in 811.4 ms (Link to these results)

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