A0A1S3L0J8_SALSA Loading...

WD repeat-containing protein 5

AlphaFold DB , UniProt , Accession A0A1S3L0J8, Species SALSA (Salmo salar, Atlantic salmon), Gene LOC106563227, Length 331 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	43.6	Very low	37.8	Very low	250 Å²	250	177.7 Å²	177.7	100%	1.232	92%	0.916	S	S	*	*				0	101.4	0	-92.6	-175	165.1	0	0	108.3
2	A	38.2	Very low	37.6	Very low	106 Å²	106	171.2 Å²	171.2	88%	0.876	91%	0.908	S	S	*	*			trans	-171.4	113.4	156.7	0	0	0	0	0	105.6
3	T	39.3	Very low	37.2	Very low	143 Å²	143	168.2 Å²	168.2	88%	0.877	90%	0.901	S	S	*	*			trans	-88	137.9	-171.8	34.3	0	0	0	0	111.2
4	E	36	Very low	36.9	Very low	200 Å²	200	170.9 Å²	170.9	94%	0.935	90%	0.9	S	S	*	*			trans	-74.3	129.6	169.5	-72.3	175.9	137.1	0	0	110.7
5	E	39.4	Very low	36.6	Very low	197 Å²	197	168.7 Å²	168.7	92%	0.921	90%	0.897	S	S	*	*			trans	-118.4	126.1	165	-91.5	-172.5	160.1	0	0	110.3
6	K	36.7	Very low	36.5	Very low	214 Å²	214	164.9 Å²	164.9	93%	0.93	89%	0.888	S	S	*	*	P	Polyproline II helix	trans	-91.9	122.7	-174.7	-154	177.8	-173.1	-179.1	0	108.9
7	K	40.1	Very low	36.4	Very low	200 Å²	200	162.2 Å²	162.2	87%	0.87	89%	0.885	S	S	*	*	P	Polyproline II helix	trans	-87.1	142.7	-178.4	-143.5	174.6	-175	-179.3	0	110.8
8	P	37.8	Very low	36.3	Very low	119 Å²	119	158.5 Å²	158.5	77%	0.773	88%	0.879	S	S	*	*	P	Polyproline II helix	trans	-87.9	144.4	-175.3	17.6	-3.6	0	0	0	113.3
9	E	34	Very low	36.2	Very low	198 Å²	198	155.8 Å²	155.8	93%	0.925	87%	0.873	S	S	*	*	P	Polyproline II helix	trans	-73.9	125	170.4	-70.5	178.3	154.9	0	0	110.6
10	T	37.3	Very low	36.2	Very low	143 Å²	143	152.8 Å²	152.8	88%	0.877	87%	0.868	S	S	*	*	P	Polyproline II helix	trans	-89.6	119.3	172.8	30.1	0	0	0	0	111
11	E	33.9	Very low	36.3	Very low	185 Å²	185	150.8 Å²	150.8	86%	0.864	86%	0.864	S	S	*	*	P	Polyproline II helix	trans	-75	120.7	178.5	-158.2	172.9	-165.7	0	0	111.1	T13	E11-T13 PolarHBondContact O-N 3.33Å
12	A	34.5	Very low	36.1	Very low	99 Å²	99	147.7 Å²	147.7	82%	0.818	85%	0.847	S	S	*	*			trans	-79.4	101.5	179.4	0	0	0	0	0	110.9	K14	A12-K14 PolarHBondContact O-N 3.49Å
13	T	32.7	Very low	36.2	Very low	132 Å²	132	147.8 Å²	147.8	81%	0.81	84%	0.841	S	S	*	*			trans	-79.3	108.4	173.1	8.1	0	0	0	0	110.3	E11 T15	E11-T13 PolarHBondContact O-N 3.33Å; T13-T15 PolarHBondContact O-N 2.9Å
14	K	33.8	Very low	36.7	Very low	206 Å²	206	150.6 Å²	150.6	90%	0.896	84%	0.841	S	S	*	*			trans	-68.3	102.6	167.4	-76.2	176.3	177.8	174.6	0	109.4	A12 S16	A12-K14 PolarHBondContact O-N 3.49Å; K14-S16 PolarHBondContact O-N 3.03Å
15	T	31.1	Very low	37.3	Very low	138 Å²	138	145.9 Å²	145.9	85%	0.847	83%	0.83	S	S	*	*			trans	-73.6	101.8	164.4	39.9	0	0	0	0	109.4	T13	T13-T15 PolarHBondContact O-N 2.9Å
16	S	35.9	Very low	38.1	Very low	109 Å²	109	140.3 Å²	140.3	76%	0.762	82%	0.818	S	S	*	*			trans	-71.8	123.6	166.3	49.7	0	0	0	0	109.7	K14 A18	K14-S16 PolarHBondContact O-N 3.03Å; S16-A18 PolarHBondContact O-N 2.78Å
17	S	34.8	Very low	39.3	Very low	119 Å²	119	134.9 Å²	134.9	83%	0.832	80%	0.804	S	S	*	*			trans	-70.4	90.5	168.5	43.4	0	0	0	0	109.3	S19	S17-S19 PolarHBondContact O-N 3.35Å
18	A	34	Very low	41.3	Very low	95 Å²	95	130.4 Å²	130.4	79%	0.785	79%	0.793	S	S	*	*			trans	-69.2	97.2	165.1	0	0	0	0	0	108.2	S16 A20	S16-A18 PolarHBondContact O-N 2.78Å; A18-A20 PolarHBondContact O-N 2.77Å; A18-A20 VanDerWaalsContact O-N 3.13Å
19	S	35	Very low	43.8	Very low	108 Å²	108	131 Å²	131	76%	0.755	78%	0.784	S	S	*	*			trans	-57.4	114.1	161.7	47.2	0	0	0	0	107.5	S17 S21	S17-S19 PolarHBondContact O-N 3.35Å; S19-S21 VanDerWaalsContact C-N 3.28Å; S19-S21 PolarHBondContact O-N 2.61Å
20	A	36.3	Very low	46.7	Very low	95 Å²	95	122 Å²	122	79%	0.785	74%	0.742	S	S	*	*			trans	-60.6	96.6	169.3	0	0	0	0	0	107.6	A18 Q22	A18-A20 PolarHBondContact O-N 2.77Å; A18-A20 VanDerWaalsContact O-N 3.13Å; A20-Q22 PolarHBondContact O-N 2.75Å
21	S	37.1	Very low	49.5	Very low	110 Å²	110	118.1 Å²	118.1	77%	0.769	72%	0.716	S	S	*	*			trans	-61.9	104.7	164.4	49.9	0	0	0	0	106.1	S19 S23	S19-S21 VanDerWaalsContact C-N 3.28Å; S19-S21 PolarHBondContact O-N 2.61Å; S21-S23 PolarHBondContact O-N 3.47Å
22	Q	41	Very low	52.6	Low	186 Å²	186	109.6 Å²	109.6	87%	0.869	68%	0.676	S	S	*	*			trans	-58.2	98.6	163.7	-75.9	-178.6	-10.9	0	0	106.8	A20 K24	A20-Q22 PolarHBondContact O-N 2.75Å; Q22-K24 VanDerWaalsContact C-N 3.34Å; Q22-K24 PolarHBondContact O-N 3.38Å
23	S	40.6	Very low	55.6	Low	108 Å²	108	108.2 Å²	108.2	76%	0.755	66%	0.657	S	S	*	*			trans	-59.6	102.1	167.3	57.9	0	0	0	0	106.1	S21 S25	S21-S23 PolarHBondContact O-N 3.47Å; S23-S25 VanDerWaalsContact C-N 3.34Å; S23-S25 PolarHBondContact O-N 2.83Å
24	K	48.5	Very low	58.8	Low	201 Å²	201	105.4 Å²	105.4	87%	0.874	64%	0.637	S	S	*	*			trans	-57.4	107.1	164.2	-77.7	-176.5	177.6	177.6	0	105.6	Q22 A26	Q22-K24 VanDerWaalsContact C-N 3.34Å; Q22-K24 PolarHBondContact O-N 3.38Å; K24-A26 PolarHBondContact O-N 3.25Å
25	S	48	Very low	61.9	Low	102 Å²	102	100.6 Å²	100.6	71%	0.713	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-47.1	134.2	171.2	52.3	0	0	0	0	108.1	S23	S23-S25 VanDerWaalsContact C-N 3.34Å; S23-S25 PolarHBondContact O-N 2.83Å
26	A	56.5	Low	65.1	Low	80 Å²	80	97.4 Å²	97.4	66%	0.661	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-49.6	133.9	175.9	0	0	0	0	0	109	K24 V28	K24-A26 PolarHBondContact O-N 3.25Å; A26-V28 PolarHBondContact O-N 2.76Å
27	P	62.1	Low	68.1	Low	99 Å²	99	95.7 Å²	95.7	64%	0.643	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-59.4	119.9	-177.7	21.8	-30.1	0	0	0	108.8	K29	P27-K29 PolarHBondContact O-N 2.98Å
28	V	82.2	Confident	71.1	Confident	106 Å²	106	90.3 Å²	90.3	64%	0.642	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-61.3	134.4	-179.2	-176.8	0	0	0	0	108.6	A26	A26-V28 PolarHBondContact O-N 2.76Å
29	K	90.9	Very high	74.2	Confident	133 Å²	133	89.4 Å²	89.4	58%	0.578	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-63.9	142.4	174.8	-67.6	-176.2	179.7	-175.9	0	109	P27 V291	P27-K29 PolarHBondContact O-N 2.98Å; K29-V291 HydrophobicContact CG-CB 4.28Å; K29-V291 HydrophobicContact CG-CG1 4.46Å
30	P	94.4	Very high	77.2	Confident	7 Å²	7	86 Å²	86	5%	0.045	51%	0.513	C	S	.	.	P	Polyproline II helix	trans	-65.9	156.7	176.1	31.6	-34.1	0	0	0	110.2	Y32 W270 I282 V291 Q292	P30-Y32 HydrophobicContact CB-CD2 3.78Å; P30-Y32 HydrophobicContact CB-CE2 3.78Å; P30-Y32 HydrophobicContact CG-CD2 4.39Å; P30-Y32 HydrophobicContact CG-CE2 4.49Å; P30-W270 HydrophobicContact CG-CD2 4.44Å; P30-W270 HydrophobicContact CG-CZ2 4.23Å; P30-I282 HydrophobicContact CG-CG2 4.15Å; P30-V291 HydrophobicContact CG-CG2 3.78Å; P30-Q292 HydrophobicContact CG-CB 4.46Å; P30-Q292 PolarHBondContact O-OE1 2.89Å; P30-Q292 VanDerWaalsContact O-OE1 3.11Å
31	N	96.8	Very high	80.2	Confident	63 Å²	63	82.1 Å²	82.1	34%	0.337	48%	0.478	S	S	.	.			trans	-126.8	47.6	-177.9	67.6	-28.4	0	0	0	111.2	T33 S329 D330	N31-T33 PolarHBondContact O-N 3.06Å; N31-S329 PolarHBondContact N-OG 2.81Å; N31-S329 PolarHBondContact OD1-OG 3.01Å; N31-D330 PolarHBondContact ND2-OD2 3.17Å; N31-D330 PolarHBondContact OD1-N 3.2Å
32	Y	98.4	Very high	83.1	Confident	6 Å²	6	81.5 Å²	81.5	2%	0.024	47%	0.47	C	S	.	.			trans	-55.9	123.1	178.9	-77.8	-83.5	0	0	0	111.6	P30 I282 Q292 N311 I313 W327 R328	P30-Y32 HydrophobicContact CB-CD2 3.78Å; P30-Y32 HydrophobicContact CB-CE2 3.78Å; P30-Y32 HydrophobicContact CG-CD2 4.39Å; P30-Y32 HydrophobicContact CG-CE2 4.49Å; Y32-I282 HydrophobicContact CD2-CD1 3.35Å; Y32-I282 HydrophobicContact CE2-CD1 3.85Å; Y32-I282 HydrophobicContact CG-CD1 4.08Å; Y32-Q292 VanDerWaalsContact N-NE2 3.17Å; Y32-Q292 PolarHBondContact O-NE2 2.72Å; Y32-N311 VanDerWaalsContact CE1-O 3.23Å; Y32-N311 WeakPolarHBondContact CE1-O 3.32Å; Y32-I313 HydrophobicContact CD1-CB 4.35Å; Y32-I313 HydrophobicContact CD1-CD1 3.86Å; Y32-I313 HydrophobicContact CD1-CG1 4.12Å; Y32-I313 HydrophobicContact CD2-CD1 3.94Å; Y32-I313 HydrophobicContact CE1-CB 4.15Å; Y32-I313 HydrophobicContact CE1-CD1 3.56Å; Y32-I313 HydrophobicContact CE1-CG1 3.57Å; Y32-I313 HydrophobicContact CE2-CD1 3.67Å; Y32-I313 HydrophobicContact CE2-CG1 4.48Å; Y32-I313 HydrophobicContact CG-CD1 4.04Å; Y32-I313 VanDerWaalsContact CZ-CD1 3.48Å; Y32-W327 HydrophobicContact CD1-CB 3.93Å; Y32-R328 CarbonylContact C-O 3.6Å; Y32-R328 VanDerWaalsContact CA-O 3.28Å; Y32-R328 WeakPolarHBondContact CA-O 3.49Å
33	T	98.4	Very high	85.9	Confident	69 Å²	69	77.5 Å²	77.5	42%	0.423	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	145.7	175.8	53.5	0	0	0	0	110.3	N31 K35 W327 R328	N31-T33 PolarHBondContact O-N 3.06Å; T33-K35 PolarHBondContact O-N 3.36Å; T33-W327 CarbonylContact O-C 3.56Å; T33-W327 VanDerWaalsContact O-CA 3.25Å; T33-W327 WeakPolarHBondContact O-CA 3.22Å; T33-R328 PolarHBondContact N-O 2.95Å; T33-R328 PolarHBondContact O-N 2.81Å; T33-R328 PolarHBondContact OG1-O 3.41Å
34	L	98.7	Very high	88.6	Confident	74 Å²	74	73 Å²	73	39%	0.387	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	127.8	176.7	-178.2	63.5	0	0	0	109.8	F36 K325 W327	L34-F36 WeakPolarHBondContact CD1-O 3.31Å; L34-K325 HydrophobicContact CD1-CB 3.65Å; L34-K325 HydrophobicContact CD1-CD 4.03Å; L34-K325 HydrophobicContact CD1-CG 3.82Å; L34-W327 HydrophobicContact CB-CE3 3.87Å; L34-W327 HydrophobicContact CB-CH2 4.48Å; L34-W327 HydrophobicContact CB-CZ3 3.76Å; L34-W327 HydrophobicContact CD1-CD2 4.35Å; L34-W327 HydrophobicContact CD1-CE3 4.32Å; L34-W327 HydrophobicContact CD1-CH2 4.35Å; L34-W327 HydrophobicContact CD1-CZ2 4.4Å; L34-W327 HydrophobicContact CD1-CZ3 4.31Å
35	K	98.6	Very high	91	Very high	105 Å²	105	63.5 Å²	63.5	46%	0.457	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	-43	173.8	-63.3	-57.4	-177.4	-176.2	0	112.4	T33 L326 R328	T33-K35 PolarHBondContact O-N 3.36Å; K35-L326 PolarHBondContact N-O 2.95Å; K35-R328 HydrophobicContact CG-CB 3.86Å; K35-R328 HydrophobicContact CG-CG 3.66Å
36	F	98.6	Very high	93.5	Very high	71 Å²	71	59.5 Å²	59.5	31%	0.311	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	144.8	-176.6	-51.6	-74.5	0	0	0	111.5	L34 L38 Y72 D73 K325 L326	L34-F36 WeakPolarHBondContact CD1-O 3.31Å; F36-L38 HydrophobicContact CB-CD1 3.65Å; F36-Y72 WeakPolarHBondContact CE2-O 3.34Å; F36-D73 WeakPolarHBondContact CD1-O 3.37Å; F36-D73 WeakPolarHBondContact CE1-O 3.48Å; F36-K325 WeakPolarHBondContact O-CA 3.5Å; F36-L326 HydrophobicContact CB-CB 4.16Å; F36-L326 HydrophobicContact CB-CD1 4.38Å; F36-L326 HydrophobicContact CD2-CB 4.08Å; F36-L326 HydrophobicContact CD2-CD1 3.97Å; F36-L326 PolarHBondContact N-O 2.85Å; F36-L326 PolarHBondContact O-N 3.29Å
37	T	98.8	Very high	95.5	Very high	72 Å²	72	55.7 Å²	55.7	44%	0.442	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	119	164.5	-62.6	0	0	0	0	107.7	T323 I324 K325	T37-T323 HydrophobicContact CG2-CG2 3.93Å; T37-I324 CarbonylContact C-O 3.58Å; T37-I324 WeakPolarHBondContact CA-O 3.48Å; T37-K325 HydrophobicContact CG2-CG 4.47Å; T37-K325 PolarHBondContact OG1-NZ 2.86Å
38	L	98.7	Very high	97.2	Very high	7 Å²	7	51 Å²	51	4%	0.037	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	109.9	-176.5	-73.9	62.2	0	0	0	107.3	F36 L57 W69 T323 I324 L326	F36-L38 HydrophobicContact CB-CD1 3.65Å; L38-L57 HydrophobicContact CD2-CD2 4.24Å; L38-W69 HydrophobicContact CB-CD2 4.35Å; L38-W69 HydrophobicContact CB-CE3 4Å; L38-W69 HydrophobicContact CB-CH2 4.28Å; L38-W69 HydrophobicContact CB-CZ3 3.96Å; L38-W69 HydrophobicContact CD2-CB 3.7Å; L38-W69 HydrophobicContact CD2-CD2 3.6Å; L38-W69 HydrophobicContact CD2-CE3 3.73Å; L38-W69 HydrophobicContact CD2-CG 3.58Å; L38-W69 HydrophobicContact CG-CD2 4.26Å; L38-W69 HydrophobicContact CG-CE3 3.9Å; L38-W69 HydrophobicContact CG-CZ3 4.31Å; L38-T323 WeakPolarHBondContact O-CA 3.5Å; L38-I324 HydrophobicContact CB-CB 4.02Å; L38-I324 HydrophobicContact CD2-CG2 4.33Å; L38-I324 PolarHBondContact N-O 3.35Å; L38-I324 PolarHBondContact O-N 3.28Å; L38-L326 HydrophobicContact CD1-CD1 3.98Å; L38-L326 HydrophobicContact CD1-CG 3.92Å; L38-L326 HydrophobicContact CD2-CD1 4.42Å
39	A	98.4	Very high	98	Very high	75 Å²	75	47.8 Å²	47.8	62%	0.62	27%	0.265	S	S	*	.			trans	-106.7	145.9	176.3	0	0	0	0	0	110.1	W69	A39-W69 WeakPolarHBondContact O-CH2 3.21Å
40	G	98.1	Very high	98.4	Very high	38 Å²	38	42.3 Å²	42.3	39%	0.392	24%	0.242	S	C	.	.			trans	157.6	-19.8	173.4	0	0	0	0	0	115.2	K67	G40-K67 WeakPolarHBondContact O-CE 3.48Å
41	H	98.8	Very high	98.6	Very high	12 Å²	12	42 Å²	42	6%	0.056	24%	0.24	C	C	.	.			trans	-71.5	142.8	166.7	-79.5	-65.1	0	0	0	110.3	V45 S59 S61 D63	H41-V45 HydrophobicContact CB-CG2 4Å; H41-S59 PolarHBondContact NE2-OG 2.81Å; H41-S61 VanDerWaalsContact CE1-CB 3.45Å; H41-S61 WeakPolarHBondContact CE1-CB 3.23Å; H41-S61 WeakPolarHBondContact ND1-CB 3.34Å; H41-D63 WeakPolarHBondContact CA-OD2 3.47Å; H41-D63 IonicContact CE1-OD1 3.48Å; H41-D63 IonicContact CE1-OD2 2.88Å; H41-D63 IonicContact CG-OD2 3.98Å; H41-D63 IonicContact ND1-OD1 2.87Å; H41-D63 PolarHBondContact ND1-OD1 3.39Å; H41-D63 IonicContact ND1-OD2 3.35Å; H41-D63 PolarHBondContact ND1-OD2 3.1Å
42	T	98.8	Very high	98.7	Very high	98 Å²	98	41.9 Å²	41.9	60%	0.601	24%	0.242	S	C	*	.	S	Bend	trans	-99.2	-5.8	-177	59.9	0	0	0	0	113.4	D63	T42-D63 PolarHBondContact N-OD2 2.92Å; T42-D63 VanDerWaalsContact N-OD2 3.09Å; T42-D63 WeakPolarHBondContact OG1-CB 3.24Å
43	K	98.9	Very high	98.7	Very high	101 Å²	101	44.1 Å²	44.1	44%	0.439	26%	0.259	S	S	.	.	S	Bend	trans	-139.7	176.9	175.8	-67.5	-168.2	173.5	-170.2	0	109.9	V45 S61 A62 D63 E319	K43-V45 PolarHBondContact O-N 3.11Å; K43-S61 PolarHBondContact O-OG 2.76Å; K43-S61 VanDerWaalsContact O-OG 3.12Å; K43-A62 HydrophobicContact CB-CB 4.01Å; K43-A62 HydrophobicContact CD-CB 4.29Å; K43-D63 HydrophobicContact CB-CB 4.04Å; K43-D63 HydrophobicContact CG-CB 4.22Å; K43-E319 VanDerWaalsContact CA-OE2 3.27Å; K43-E319 WeakPolarHBondContact CA-OE2 3.21Å; K43-E319 WeakPolarHBondContact CB-OE2 3.48Å
44	A	98.8	Very high	98.7	Very high	15 Å²	15	40.8 Å²	40.8	12%	0.124	24%	0.238	C	C	.	.			trans	-41.9	126.2	175.9	0	0	0	0	0	111.8	S61 A62 L318 E319	A44-S61 VanDerWaalsContact O-CA 3.32Å; A44-S61 WeakPolarHBondContact O-CA 3.4Å; A44-S61 VanDerWaalsContact O-CB 3.32Å; A44-S61 WeakPolarHBondContact O-CB 3.24Å; A44-S61 PolarHBondContact O-OG 3.09Å; A44-A62 HydrophobicContact CB-CB 4.48Å; A44-A62 PolarHBondContact O-N 2.8Å; A44-L318 HydrophobicContact CB-CB 4.39Å; A44-L318 HydrophobicContact CB-CD2 4.13Å; A44-E319 HydrophobicContact CB-CB 4.23Å; A44-E319 PolarHBondContact N-OE2 3.48Å
45	V	98.9	Very high	98.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	137.1	168.1	-173.2	0	0	0	0	106.6	H41 K43 V48 S60 I302 A316 A317 K322 I324	H41-V45 HydrophobicContact CB-CG2 4Å; K43-V45 PolarHBondContact O-N 3.11Å; V45-V48 HydrophobicContact CG1-CG1 4.27Å; V45-S60 VanDerWaalsContact CG1-O 3.27Å; V45-S60 WeakPolarHBondContact CG1-O 3.21Å; V45-I302 WeakPolarHBondContact O-CG2 3.44Å; V45-A316 HydrophobicContact CB-CB 3.89Å; V45-A316 HydrophobicContact CG1-CB 3.55Å; V45-A317 PolarHBondContact N-O 3.19Å; V45-K322 WeakPolarHBondContact CG2-O 3.32Å; V45-I324 HydrophobicContact CG1-CD1 4.3Å; V45-I324 HydrophobicContact CG1-CG1 4.09Å; V45-I324 HydrophobicContact CG2-CG1 4.23Å
46	S	98.9	Very high	98.7	Very high	19 Å²	19	41 Å²	41	13%	0.133	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-36.4	-175.2	54.4	0	0	0	0	112.9	S60 I87 S88	S46-S60 PolarHBondContact N-O 3.02Å; S46-S60 VanDerWaalsContact OG-C 3.26Å; S46-S60 PolarHBondContact OG-O 2.86Å; S46-S60 VanDerWaalsContact OG-O 3.09Å; S46-S60 PolarHBondContact OG-OG 2.96Å; S46-I87 VanDerWaalsContact CB-O 3.25Å; S46-I87 WeakPolarHBondContact CB-O 3.37Å; S46-I87 PolarHBondContact OG-O 3.19Å; S46-S88 WeakPolarHBondContact CB-O 3.4Å; S46-S88 PolarHBondContact OG-O 2.83Å
47	S	98.9	Very high	98.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	144.5	-176.1	-171	0	0	0	0	111	K49 S59 S60 D89	S47-K49 VanDerWaalsContact OG-CE 3.24Å; S47-K49 WeakPolarHBondContact OG-CE 3.49Å; S47-K49 PolarHBondContact OG-NZ 2.91Å; S47-S59 CarbonylContact O-C 3.6Å; S47-S59 VanDerWaalsContact O-CA 3.25Å; S47-S59 WeakPolarHBondContact O-CA 3.47Å; S47-S60 VanDerWaalsContact CB-OG 3.31Å; S47-S60 WeakPolarHBondContact CB-OG 3.4Å; S47-S60 PolarHBondContact N-OG 2.92Å; S47-S60 PolarHBondContact O-N 2.8Å; S47-D89 WeakPolarHBondContact CB-OD1 3.38Å; S47-D89 PolarHBondContact OG-OD1 2.59Å
48	V	98.9	Very high	98.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	137.9	169.2	-71.4	0	0	0	0	110.2	V45 L57 A58 S303 A305 A314 A316 I324	V45-V48 HydrophobicContact CG1-CG1 4.27Å; V48-L57 HydrophobicContact CB-CD1 4.17Å; V48-A58 CarbonylContact C-O 3.58Å; V48-A58 VanDerWaalsContact CA-O 3.29Å; V48-A58 WeakPolarHBondContact CA-O 3.47Å; V48-S303 PolarHBondContact N-OG 3.48Å; V48-S303 VanDerWaalsContact N-OG 3.13Å; V48-A305 HydrophobicContact CG2-CB 4.33Å; V48-A305 WeakPolarHBondContact O-CB 3.45Å; V48-A314 HydrophobicContact CG2-CB 4.18Å; V48-A316 HydrophobicContact CG1-CB 3.64Å; V48-A316 HydrophobicContact CG2-CB 4.22Å; V48-I324 HydrophobicContact CG1-CD1 4.06Å; V48-I324 HydrophobicContact CG1-CG1 3.91Å; V48-I324 HydrophobicContact CG1-CG2 4.04Å
49	K	98.9	Very high	98.8	Very high	39 Å²	39	33.9 Å²	33.9	17%	0.17	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	128.8	178	-55.4	-66.6	162.4	59.3	0	111.4	S47 A58 D89 V90 W92	S47-K49 VanDerWaalsContact OG-CE 3.24Å; S47-K49 WeakPolarHBondContact OG-CE 3.49Å; S47-K49 PolarHBondContact OG-NZ 2.91Å; K49-A58 PolarHBondContact N-O 3.28Å; K49-A58 PolarHBondContact O-N 2.87Å; K49-D89 IonicContact NZ-OD1 3.96Å; K49-D89 PolarHBondContact NZ-OD1 3.47Å; K49-D89 IonicContact NZ-OD2 3.43Å; K49-V90 HydrophobicContact CG-CG1 4.33Å; K49-V90 WeakPolarHBondContact CG-O 3.43Å; K49-V90 PolarHBondContact NZ-O 2.87Å; K49-W92 PolarHBondContact O-NE1 3.05Å
50	F	98.9	Very high	98.8	Very high	18 Å²	18	30.3 Å²	30.3	8%	0.079	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	144.8	168.1	-71.4	-74.3	0	0	0	110.7	W56 L57 A71 W92 A305 C306 H307 I312 A314 L326	F50-W56 CarbonylContact C-O 3.57Å; F50-W56 VanDerWaalsContact CA-O 3.3Å; F50-W56 WeakPolarHBondContact CA-O 3.46Å; F50-L57 HydrophobicContact CD1-CB 4.27Å; F50-L57 HydrophobicContact CD1-CD1 3.9Å; F50-L57 HydrophobicContact CD2-CD1 4.28Å; F50-L57 HydrophobicContact CE1-CB 4.27Å; F50-L57 HydrophobicContact CE1-CD1 3.94Å; F50-L57 HydrophobicContact CE2-CD1 4.33Å; F50-L57 HydrophobicContact CG-CD1 4.08Å; F50-L57 HydrophobicContact CZ-CD1 4.16Å; F50-A71 HydrophobicContact CD1-CB 3.8Å; F50-A71 HydrophobicContact CE1-CB 3.72Å; F50-W92 VanDerWaalsContact O-CD1 3.27Å; F50-A305 HydrophobicContact CD2-CB 3.93Å; F50-A305 HydrophobicContact CE2-CB 4.25Å; F50-C306 VanDerWaalsContact CD2-C 3.5Å; F50-H307 AromaticContact CD1-CD2 3.69Å; F50-H307 HydrophobicContact CD2-CB 4.11Å; F50-H307 AromaticContact CE1-CD2 3.85Å; F50-H307 HydrophobicContact CE2-CB 4.04Å; F50-H307 HydrophobicContact CG-CB 4.36Å; F50-H307 HydrophobicContact CZ-CB 4.26Å; F50-I312 HydrophobicContact CZ-CB 4.48Å; F50-I312 HydrophobicContact CZ-CG2 3.89Å; F50-A314 HydrophobicContact CE2-CB 3.75Å; F50-A314 HydrophobicContact CZ-CB 3.74Å; F50-L326 HydrophobicContact CE1-CD2 4.39Å; F50-L326 HydrophobicContact CZ-CD2 4.02Å
51	S	98.9	Very high	98.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.15	C	C	.	.			trans	-65.2	147.6	167.8	65.9	0	0	0	0	109.9	S53 G54 E55 W56	S51-S53 PolarHBondContact O-N 3.33Å; S51-S53 PolarHBondContact OG-OG 2.85Å; S51-G54 PolarHBondContact O-N 2.96Å; S51-G54 PolarHBondContact OG-N 3.46Å; S51-E55 PolarHBondContact OG-N 2.92Å; S51-W56 PolarHBondContact N-O 2.62Å; S51-W56 PolarHBondContact OG-N 3.3Å; S51-W56 PolarHBondContact OG-O 3.05Å
52	P	98.7	Very high	98.8	Very high	60 Å²	60	29.8 Å²	29.8	39%	0.39	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-29.5	174.9	-31.9	39.3	0	0	0	114.5	G54 W92 S93 S94 S96	P52-G54 PolarHBondContact O-N 3.47Å; P52-W92 HydrophobicContact CG-CB 4.31Å; P52-S93 WeakPolarHBondContact CG-O 3.16Å; P52-S94 WeakPolarHBondContact CB-O 3.2Å; P52-S96 WeakPolarHBondContact CD-OG 3.21Å
53	S	98.3	Very high	98.8	Very high	53 Å²	53	25.6 Å²	25.6	37%	0.371	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-18.3	172.5	64.2	0	0	0	0	114	S51 E55 S96	S51-S53 PolarHBondContact O-N 3.33Å; S51-S53 PolarHBondContact OG-OG 2.85Å; S53-E55 VanDerWaalsContact C-N 3.27Å; S53-E55 PolarHBondContact O-N 2.82Å; S53-E55 PolarHBondContact OG-N 3Å; S53-S96 WeakPolarHBondContact CB-OG 3.31Å; S53-S96 PolarHBondContact N-OG 3.08Å; S53-S96 PolarHBondContact OG-OG 2.92Å
54	G	98.4	Very high	98.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	83.9	-13.3	-173.5	0	0	0	0	0	114.7	S51 P52 W56 A71 H307	S51-G54 PolarHBondContact O-N 2.96Å; S51-G54 PolarHBondContact OG-N 3.46Å; P52-G54 PolarHBondContact O-N 3.47Å; G54-W56 PolarHBondContact O-N 3Å; G54-A71 WeakPolarHBondContact O-CB 3.48Å; G54-H307 VanDerWaalsContact CA-NE2 3.29Å; G54-H307 WeakPolarHBondContact CA-NE2 3.33Å; G54-H307 PolarHBondContact O-NE2 2.88Å
55	E	98.7	Very high	98.8	Very high	111 Å²	111	26.8 Å²	26.8	52%	0.519	14%	0.141	S	C	.	.	S	Bend	trans	-71.2	-30.7	-172.6	-63.5	-177.6	141.7	0	0	114.2	S51 S53 A71	S51-E55 PolarHBondContact OG-N 2.92Å; S53-E55 VanDerWaalsContact C-N 3.27Å; S53-E55 PolarHBondContact O-N 2.82Å; S53-E55 PolarHBondContact OG-N 3Å; E55-A71 WeakPolarHBondContact O-CB 3.23Å; E55-A71 PolarHBondContact O-N 2.73Å
56	W	98.9	Very high	98.8	Very high	72 Å²	72	26.8 Å²	26.8	27%	0.273	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	151.1	-166.8	-54.2	105.5	0	0	0	112.6	F50 S51 G54 I68 W69 E77 W92	F50-W56 CarbonylContact C-O 3.57Å; F50-W56 VanDerWaalsContact CA-O 3.3Å; F50-W56 WeakPolarHBondContact CA-O 3.46Å; S51-W56 PolarHBondContact N-O 2.62Å; S51-W56 PolarHBondContact OG-N 3.3Å; S51-W56 PolarHBondContact OG-O 3.05Å; G54-W56 PolarHBondContact O-N 3Å; W56-I68 HydrophobicContact CB-CG2 4.16Å; W56-I68 HydrophobicContact CD2-CG2 4.19Å; W56-I68 HydrophobicContact CE3-CG2 3.84Å; W56-I68 HydrophobicContact CG-CG2 4.33Å; W56-W69 CarbonylContact C-O 3.48Å; W56-W69 WeakPolarHBondContact CA-O 3.21Å; W56-E77 HydrophobicContact CE3-CB 4.41Å; W56-E77 HydrophobicContact CE3-CG 4.38Å; W56-E77 HydrophobicContact CH2-CG 4.01Å; W56-E77 HydrophobicContact CZ3-CB 3.86Å; W56-E77 HydrophobicContact CZ3-CG 3.67Å; W56-W92 HydrophobicContact CB-CH2 3.74Å; W56-W92 HydrophobicContact CB-CZ2 3.81Å; W56-W92 HydrophobicContact CG-CH2 4.29Å
57	L	98.9	Very high	98.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	126.5	163.9	-177.3	70.5	0	0	0	108.1	L38 V48 F50 I68 W69 A314 I324 L326	L38-L57 HydrophobicContact CD2-CD2 4.24Å; V48-L57 HydrophobicContact CB-CD1 4.17Å; F50-L57 HydrophobicContact CD1-CB 4.27Å; F50-L57 HydrophobicContact CD1-CD1 3.9Å; F50-L57 HydrophobicContact CD2-CD1 4.28Å; F50-L57 HydrophobicContact CE1-CB 4.27Å; F50-L57 HydrophobicContact CE1-CD1 3.94Å; F50-L57 HydrophobicContact CE2-CD1 4.33Å; F50-L57 HydrophobicContact CG-CD1 4.08Å; F50-L57 HydrophobicContact CZ-CD1 4.16Å; L57-I68 CarbonylContact O-C 3.55Å; L57-I68 WeakPolarHBondContact O-CA 3.36Å; L57-W69 HydrophobicContact CB-CB 4.31Å; L57-W69 PolarHBondContact N-O 3.08Å; L57-W69 PolarHBondContact O-N 3.13Å; L57-A314 HydrophobicContact CD1-CB 3.73Å; L57-A314 HydrophobicContact CD2-CB 3.86Å; L57-A314 HydrophobicContact CG-CB 4.48Å; L57-I324 HydrophobicContact CD2-CG2 3.84Å; L57-L326 HydrophobicContact CD2-CD2 4.05Å
58	A	98.9	Very high	98.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	140.7	166.8	0	0	0	0	0	109.8	V48 K49 K67 I68 V90 W92 L99	V48-A58 CarbonylContact C-O 3.58Å; V48-A58 VanDerWaalsContact CA-O 3.29Å; V48-A58 WeakPolarHBondContact CA-O 3.47Å; K49-A58 PolarHBondContact N-O 3.28Å; K49-A58 PolarHBondContact O-N 2.87Å; A58-K67 CarbonylContact C-O 3.6Å; A58-K67 WeakPolarHBondContact CA-O 3.44Å; A58-I68 HydrophobicContact CB-CD1 3.82Å; A58-V90 HydrophobicContact CB-CG1 4.41Å; A58-V90 HydrophobicContact CB-CG2 4.38Å; A58-W92 HydrophobicContact CB-CZ2 3.61Å; A58-L99 HydrophobicContact CB-CD1 3.97Å; A58-L99 HydrophobicContact CB-CD2 4.1Å
59	S	98.9	Very high	98.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	141.2	171.4	62.1	0	0	0	0	111.5	H41 S47 I66 K67 W69 I324	H41-S59 PolarHBondContact NE2-OG 2.81Å; S47-S59 CarbonylContact O-C 3.6Å; S47-S59 VanDerWaalsContact O-CA 3.25Å; S47-S59 WeakPolarHBondContact O-CA 3.47Å; S59-I66 CarbonylContact O-C 3.55Å; S59-I66 WeakPolarHBondContact O-CA 3.46Å; S59-K67 PolarHBondContact N-O 3.31Å; S59-K67 PolarHBondContact O-N 3.38Å; S59-K67 PolarHBondContact OG-O 3.11Å; S59-W69 PolarHBondContact OG-NE1 3.09Å; S59-I324 WeakPolarHBondContact OG-CD1 3.41Å
60	S	98.9	Very high	98.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	157.2	171.3	59	0	0	0	0	111.4	V45 S46 S47 I87	V45-S60 VanDerWaalsContact CG1-O 3.27Å; V45-S60 WeakPolarHBondContact CG1-O 3.21Å; S46-S60 PolarHBondContact N-O 3.02Å; S46-S60 VanDerWaalsContact OG-C 3.26Å; S46-S60 PolarHBondContact OG-O 2.86Å; S46-S60 VanDerWaalsContact OG-O 3.09Å; S46-S60 PolarHBondContact OG-OG 2.96Å; S47-S60 VanDerWaalsContact CB-OG 3.31Å; S47-S60 WeakPolarHBondContact CB-OG 3.4Å; S47-S60 PolarHBondContact N-OG 2.92Å; S47-S60 PolarHBondContact O-N 2.8Å; S60-I87 VanDerWaalsContact CB-CG2 3.43Å
61	S	98.9	Very high	98.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	159.9	-178.1	170.3	0	0	0	0	113.2	H41 K43 A44 D63 K64 L65 I87	H41-S61 VanDerWaalsContact CE1-CB 3.45Å; H41-S61 WeakPolarHBondContact CE1-CB 3.23Å; H41-S61 WeakPolarHBondContact ND1-CB 3.34Å; K43-S61 PolarHBondContact O-OG 2.76Å; K43-S61 VanDerWaalsContact O-OG 3.12Å; A44-S61 VanDerWaalsContact O-CA 3.32Å; A44-S61 WeakPolarHBondContact O-CA 3.4Å; A44-S61 VanDerWaalsContact O-CB 3.32Å; A44-S61 WeakPolarHBondContact O-CB 3.24Å; A44-S61 PolarHBondContact O-OG 3.09Å; S61-D63 VanDerWaalsContact CB-OD1 3.24Å; S61-D63 WeakPolarHBondContact CB-OD1 3.41Å; S61-D63 PolarHBondContact O-N 3.27Å; S61-D63 VanDerWaalsContact O-N 3.13Å; S61-D63 VanDerWaalsContact OG-CG 3.24Å; S61-D63 PolarHBondContact OG-N 2.91Å; S61-D63 VanDerWaalsContact OG-N 3.08Å; S61-D63 PolarHBondContact OG-OD1 3.35Å; S61-K64 PolarHBondContact O-N 2.74Å; S61-K64 VanDerWaalsContact O-N 3.11Å; S61-L65 PolarHBondContact N-O 2.76Å; S61-I87 PolarHBondContact O-N 3.42Å; S61-I87 VanDerWaalsContact O-N 3.09Å
62	A	98.9	Very high	98.8	Very high	39 Å²	39	29.7 Å²	29.7	32%	0.322	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-11.3	167.2	0	0	0	0	0	113.4	K43 A44 K64	K43-A62 HydrophobicContact CB-CB 4.01Å; K43-A62 HydrophobicContact CD-CB 4.29Å; A44-A62 HydrophobicContact CB-CB 4.48Å; A44-A62 PolarHBondContact O-N 2.8Å; A62-K64 PolarHBondContact O-N 2.8Å
63	D	98.8	Very high	98.8	Very high	10 Å²	10	30.2 Å²	30.2	5%	0.053	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	1.4	171.6	70.8	12.1	0	0	0	114.2	H41 T42 K43 S61 L65	H41-D63 WeakPolarHBondContact CA-OD2 3.47Å; H41-D63 IonicContact CE1-OD1 3.48Å; H41-D63 IonicContact CE1-OD2 2.88Å; H41-D63 IonicContact CG-OD2 3.98Å; H41-D63 IonicContact ND1-OD1 2.87Å; H41-D63 PolarHBondContact ND1-OD1 3.39Å; H41-D63 IonicContact ND1-OD2 3.35Å; H41-D63 PolarHBondContact ND1-OD2 3.1Å; T42-D63 PolarHBondContact N-OD2 2.92Å; T42-D63 VanDerWaalsContact N-OD2 3.09Å; T42-D63 WeakPolarHBondContact OG1-CB 3.24Å; K43-D63 HydrophobicContact CB-CB 4.04Å; K43-D63 HydrophobicContact CG-CB 4.22Å; S61-D63 VanDerWaalsContact CB-OD1 3.24Å; S61-D63 WeakPolarHBondContact CB-OD1 3.41Å; S61-D63 PolarHBondContact O-N 3.27Å; S61-D63 VanDerWaalsContact O-N 3.13Å; S61-D63 VanDerWaalsContact OG-CG 3.24Å; S61-D63 PolarHBondContact OG-N 2.91Å; S61-D63 VanDerWaalsContact OG-N 3.08Å; S61-D63 PolarHBondContact OG-OD1 3.35Å; D63-L65 VanDerWaalsContact C-N 3.29Å; D63-L65 WeakPolarHBondContact OD1-CA 3.36Å; D63-L65 WeakPolarHBondContact OD1-CB 3.48Å; D63-L65 WeakPolarHBondContact OD1-CG 3.39Å; D63-L65 PolarHBondContact OD1-N 3.26Å
64	K	98.9	Very high	98.8	Very high	99 Å²	99	28.2 Å²	28.2	43%	0.43	14%	0.139	S	C	.	.	S	Bend	trans	77.1	10	177.8	-39.9	169.3	-77.5	-174.6	0	113.8	S61 A62 K84 L85	S61-K64 PolarHBondContact O-N 2.74Å; S61-K64 VanDerWaalsContact O-N 3.11Å; A62-K64 PolarHBondContact O-N 2.8Å; K64-K84 VanDerWaalsContact CD-O 3.24Å; K64-K84 WeakPolarHBondContact CD-O 3.34Å; K64-L85 WeakPolarHBondContact CB-O 3.42Å; K64-L85 WeakPolarHBondContact CG-O 3.38Å
65	L	98.9	Very high	98.8	Very high	43 Å²	43	35.2 Å²	35.2	23%	0.225	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	150.7	-175.4	-52.8	176	0	0	0	111.5	S61 D63 T79	S61-L65 PolarHBondContact N-O 2.76Å; D63-L65 VanDerWaalsContact C-N 3.29Å; D63-L65 WeakPolarHBondContact OD1-CA 3.36Å; D63-L65 WeakPolarHBondContact OD1-CB 3.48Å; D63-L65 WeakPolarHBondContact OD1-CG 3.39Å; D63-L65 PolarHBondContact OD1-N 3.26Å; L65-T79 HydrophobicContact CB-CG2 4.1Å; L65-T79 HydrophobicContact CD1-CG2 4.02Å; L65-T79 HydrophobicContact CD2-CG2 3.98Å; L65-T79 HydrophobicContact CG-CG2 4.26Å
66	I	98.9	Very high	98.8	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	136.7	160.1	-58.7	166.3	0	0	0	107.2	S59 I68 T79 I80 I87 V90 L99	S59-I66 CarbonylContact O-C 3.55Å; S59-I66 WeakPolarHBondContact O-CA 3.46Å; I66-I68 HydrophobicContact CG2-CD1 4.15Å; I66-T79 CarbonylContact O-C 3.56Å; I66-T79 WeakPolarHBondContact O-CA 3.19Å; I66-I80 HydrophobicContact CB-CB 4.16Å; I66-I80 PolarHBondContact N-O 3.1Å; I66-I80 PolarHBondContact O-N 2.87Å; I66-I87 HydrophobicContact CD1-CD1 4.36Å; I66-I87 HydrophobicContact CG1-CD1 3.72Å; I66-V90 HydrophobicContact CD1-CG2 4.31Å; I66-V90 HydrophobicContact CG2-CG2 4.45Å; I66-L99 HydrophobicContact CG2-CD1 4Å
67	K	98.9	Very high	98.8	Very high	20 Å²	20	36.1 Å²	36.1	9%	0.087	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	141.9	172.1	-67.9	178	-178.9	-76.7	0	110.3	G40 A58 S59 W69 F76 K78 T79	G40-K67 WeakPolarHBondContact O-CE 3.48Å; A58-K67 CarbonylContact C-O 3.6Å; A58-K67 WeakPolarHBondContact CA-O 3.44Å; S59-K67 PolarHBondContact N-O 3.31Å; S59-K67 PolarHBondContact O-N 3.38Å; S59-K67 PolarHBondContact OG-O 3.11Å; K67-W69 HydrophobicContact CB-CZ2 3.64Å; K67-W69 HydrophobicContact CD-CH2 4.07Å; K67-W69 HydrophobicContact CD-CZ2 3.57Å; K67-W69 HydrophobicContact CG-CZ2 4.24Å; K67-W69 PolarHBondContact O-NE1 2.99Å; K67-F76 HydrophobicContact CB-CE2 4.41Å; K67-F76 HydrophobicContact CD-CE2 4.36Å; K67-F76 HydrophobicContact CG-CE2 4.23Å; K67-K78 WeakPolarHBondContact CA-O 3.19Å; K67-T79 PolarHBondContact NZ-OG1 3.49Å
68	I	98.9	Very high	98.8	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	137.4	176.8	-50.3	-58.8	0	0	0	108.4	W56 L57 A58 I66 E77 K78 I80 W92 L99	W56-I68 HydrophobicContact CB-CG2 4.16Å; W56-I68 HydrophobicContact CD2-CG2 4.19Å; W56-I68 HydrophobicContact CE3-CG2 3.84Å; W56-I68 HydrophobicContact CG-CG2 4.33Å; L57-I68 CarbonylContact O-C 3.55Å; L57-I68 WeakPolarHBondContact O-CA 3.36Å; A58-I68 HydrophobicContact CB-CD1 3.82Å; I66-I68 HydrophobicContact CG2-CD1 4.15Å; I68-E77 HydrophobicContact CB-CB 4.27Å; I68-E77 HydrophobicContact CG2-CB 4.2Å; I68-E77 HydrophobicContact CG2-CG 4.42Å; I68-E77 WeakPolarHBondContact O-CB 3.34Å; I68-E77 PolarHBondContact O-N 3.31Å; I68-K78 HydrophobicContact CB-CG 4.03Å; I68-K78 HydrophobicContact CG1-CG 3.91Å; I68-K78 PolarHBondContact N-O 3.48Å; I68-K78 PolarHBondContact O-N 2.79Å; I68-I80 HydrophobicContact CD1-CD1 4.34Å; I68-I80 HydrophobicContact CG1-CD1 4.21Å; I68-W92 HydrophobicContact CD1-CH2 4.28Å; I68-W92 HydrophobicContact CD1-CZ2 4.27Å; I68-L99 HydrophobicContact CD1-CD1 3.65Å
69	W	98.9	Very high	98.8	Very high	6 Å²	6	41.5 Å²	41.5	2%	0.023	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	148.5	-177.3	-39.9	82.9	0	0	0	110	L38 A39 W56 L57 S59 K67 A71 K75 F76 I324	L38-W69 HydrophobicContact CB-CD2 4.35Å; L38-W69 HydrophobicContact CB-CE3 4Å; L38-W69 HydrophobicContact CB-CH2 4.28Å; L38-W69 HydrophobicContact CB-CZ3 3.96Å; L38-W69 HydrophobicContact CD2-CB 3.7Å; L38-W69 HydrophobicContact CD2-CD2 3.6Å; L38-W69 HydrophobicContact CD2-CE3 3.73Å; L38-W69 HydrophobicContact CD2-CG 3.58Å; L38-W69 HydrophobicContact CG-CD2 4.26Å; L38-W69 HydrophobicContact CG-CE3 3.9Å; L38-W69 HydrophobicContact CG-CZ3 4.31Å; A39-W69 WeakPolarHBondContact O-CH2 3.21Å; W56-W69 CarbonylContact C-O 3.48Å; W56-W69 WeakPolarHBondContact CA-O 3.21Å; L57-W69 HydrophobicContact CB-CB 4.31Å; L57-W69 PolarHBondContact N-O 3.08Å; L57-W69 PolarHBondContact O-N 3.13Å; S59-W69 PolarHBondContact OG-NE1 3.09Å; K67-W69 HydrophobicContact CB-CZ2 3.64Å; K67-W69 HydrophobicContact CD-CH2 4.07Å; K67-W69 HydrophobicContact CD-CZ2 3.57Å; K67-W69 HydrophobicContact CG-CZ2 4.24Å; K67-W69 PolarHBondContact O-NE1 2.99Å; W69-A71 PolarHBondContact O-N 3.16Å; W69-K75 CarbonylContact C-O 3.51Å; W69-K75 WeakPolarHBondContact CA-O 3.26Å; W69-F76 HydrophobicContact CE3-CB 3.77Å; W69-F76 HydrophobicContact CE3-CD2 4.16Å; W69-F76 HydrophobicContact CE3-CG 4.49Å; W69-F76 HydrophobicContact CH2-CD2 4.16Å; W69-F76 HydrophobicContact CZ3-CB 3.7Å; W69-F76 AromaticContact CZ3-CD2 3.95Å; W69-F76 HydrophobicContact CZ3-CD2 3.95Å; W69-F76 HydrophobicContact CZ3-CG 4.29Å; W69-I324 HydrophobicContact CZ2-CD1 4.23Å
70	G	98.8	Very high	98.8	Very high	8 Å²	8	41.6 Å²	41.6	8%	0.082	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	126	168.5	0	0	0	0	0	110.4	Y72 G74 K75	G70-Y72 PolarHBondContact O-N 3.17Å; G70-G74 VanDerWaalsContact O-CA 3.31Å; G70-G74 WeakPolarHBondContact O-CA 3.45Å; G70-G74 PolarHBondContact O-N 3.38Å; G70-K75 PolarHBondContact N-O 2.86Å
71	A	98.6	Very high	98.7	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-26	-177.5	0	0	0	0	0	112.9	F50 G54 E55 W69	F50-A71 HydrophobicContact CD1-CB 3.8Å; F50-A71 HydrophobicContact CE1-CB 3.72Å; G54-A71 WeakPolarHBondContact O-CB 3.48Å; E55-A71 WeakPolarHBondContact O-CB 3.23Å; E55-A71 PolarHBondContact O-N 2.73Å; W69-A71 PolarHBondContact O-N 3.16Å
72	Y	98.6	Very high	98.7	Very high	101 Å²	101	47.3 Å²	47.3	40%	0.396	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-22.9	-172.9	-59.5	-78.2	0	0	0	114.8	F36 G70 H307 E310 I312 R328	F36-Y72 WeakPolarHBondContact CE2-O 3.34Å; G70-Y72 PolarHBondContact O-N 3.17Å; Y72-H307 AromaticContact CE1-NE2 3.98Å; Y72-H307 AromaticContact CZ-NE2 3.74Å; Y72-H307 PolarHBondContact OH-CE1 3.1Å; Y72-E310 HydrophobicContact CE1-CG 3.97Å; Y72-I312 HydrophobicContact CD1-CD1 4.09Å; Y72-I312 HydrophobicContact CE1-CD1 4.35Å; Y72-R328 PolarHBondContact O-NH2 3.13Å
73	D	98.1	Very high	98.7	Very high	71 Å²	71	46 Å²	46	38%	0.38	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.7	-5.8	-175.4	62.6	-0	0	0	0	112.7	F36 K75	F36-D73 WeakPolarHBondContact CD1-O 3.37Å; F36-D73 WeakPolarHBondContact CE1-O 3.48Å; D73-K75 PolarHBondContact O-N 3.23Å; D73-K75 WeakPolarHBondContact OD1-CB 3.17Å; D73-K75 PolarHBondContact OD1-N 3.1Å; D73-K75 WeakPolarHBondContact OD2-CD 3.32Å
74	G	98.3	Very high	98.7	Very high	12 Å²	12	53.8 Å²	53.8	12%	0.124	27%	0.271	C	S	.	.			trans	65.7	13	-176.4	0	0	0	0	0	113.6	G70 F76	G70-G74 VanDerWaalsContact O-CA 3.31Å; G70-G74 WeakPolarHBondContact O-CA 3.45Å; G70-G74 PolarHBondContact O-N 3.38Å; G74-F76 PolarHBondContact O-N 3.32Å
75	K	98.6	Very high	98.7	Very high	146 Å²	146	53.3 Å²	53.3	64%	0.635	27%	0.273	S	S	*	.			trans	-66.3	135.4	179.7	-89.8	-173.4	177.6	171.1	0	110.5	W69 G70 D73 E77	W69-K75 CarbonylContact C-O 3.51Å; W69-K75 WeakPolarHBondContact CA-O 3.26Å; G70-K75 PolarHBondContact N-O 2.86Å; D73-K75 PolarHBondContact O-N 3.23Å; D73-K75 WeakPolarHBondContact OD1-CB 3.17Å; D73-K75 PolarHBondContact OD1-N 3.1Å; D73-K75 WeakPolarHBondContact OD2-CD 3.32Å; K75-E77 PolarHBondContact O-N 3.13Å
76	F	98.8	Very high	98.7	Very high	106 Å²	106	51.7 Å²	51.7	47%	0.465	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	128.9	169	170.9	-101.3	0	0	0	110.2	K67 W69 G74 K78 T79	K67-F76 HydrophobicContact CB-CE2 4.41Å; K67-F76 HydrophobicContact CD-CE2 4.36Å; K67-F76 HydrophobicContact CG-CE2 4.23Å; W69-F76 HydrophobicContact CE3-CB 3.77Å; W69-F76 HydrophobicContact CE3-CD2 4.16Å; W69-F76 HydrophobicContact CE3-CG 4.49Å; W69-F76 HydrophobicContact CH2-CD2 4.16Å; W69-F76 HydrophobicContact CZ3-CB 3.7Å; W69-F76 AromaticContact CZ3-CD2 3.95Å; W69-F76 HydrophobicContact CZ3-CD2 3.95Å; W69-F76 HydrophobicContact CZ3-CG 4.29Å; G74-F76 PolarHBondContact O-N 3.32Å; F76-K78 VanDerWaalsContact CE2-C 3.46Å; F76-K78 WeakPolarHBondContact CE2-O 3.32Å; F76-K78 VanDerWaalsContact CZ-C 3.43Å; F76-T79 WeakPolarHBondContact CE2-OG1 3.5Å; F76-T79 WeakPolarHBondContact CZ-OG1 3.24Å
77	E	98.6	Very high	98.7	Very high	97 Å²	97	51.9 Å²	51.9	45%	0.453	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	-58.2	-179.9	178.9	61.3	-156.3	0	0	111.2	W56 I68 K75	W56-E77 HydrophobicContact CE3-CB 4.41Å; W56-E77 HydrophobicContact CE3-CG 4.38Å; W56-E77 HydrophobicContact CH2-CG 4.01Å; W56-E77 HydrophobicContact CZ3-CB 3.86Å; W56-E77 HydrophobicContact CZ3-CG 3.67Å; I68-E77 HydrophobicContact CB-CB 4.27Å; I68-E77 HydrophobicContact CG2-CB 4.2Å; I68-E77 HydrophobicContact CG2-CG 4.42Å; I68-E77 WeakPolarHBondContact O-CB 3.34Å; I68-E77 PolarHBondContact O-N 3.31Å; K75-E77 PolarHBondContact O-N 3.13Å
78	K	98.6	Very high	98.7	Very high	56 Å²	56	52 Å²	52	24%	0.243	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	163.9	-178.9	66.4	-175.7	67.7	168	0	113.3	K67 I68 F76 V113 S114	K67-K78 WeakPolarHBondContact CA-O 3.19Å; I68-K78 HydrophobicContact CB-CG 4.03Å; I68-K78 HydrophobicContact CG1-CG 3.91Å; I68-K78 PolarHBondContact N-O 3.48Å; I68-K78 PolarHBondContact O-N 2.79Å; F76-K78 VanDerWaalsContact CE2-C 3.46Å; F76-K78 WeakPolarHBondContact CE2-O 3.32Å; F76-K78 VanDerWaalsContact CZ-C 3.43Å; K78-V113 PolarHBondContact NZ-O 2.75Å; K78-S114 PolarHBondContact NZ-O 3.3Å
79	T	98.9	Very high	98.7	Very high	56 Å²	56	52.1 Å²	52.1	34%	0.344	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	132.4	169.6	-64.4	0	0	0	0	109.3	L65 I66 K67 F76	L65-T79 HydrophobicContact CB-CG2 4.1Å; L65-T79 HydrophobicContact CD1-CG2 4.02Å; L65-T79 HydrophobicContact CD2-CG2 3.98Å; L65-T79 HydrophobicContact CG-CG2 4.26Å; I66-T79 CarbonylContact O-C 3.56Å; I66-T79 WeakPolarHBondContact O-CA 3.19Å; K67-T79 PolarHBondContact NZ-OG1 3.49Å; F76-T79 WeakPolarHBondContact CE2-OG1 3.5Å; F76-T79 WeakPolarHBondContact CZ-OG1 3.24Å
80	I	98.9	Very high	98.7	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	126.3	171.9	-58.1	173.4	0	0	0	107.4	I66 I68 L99 W111	I66-I80 HydrophobicContact CB-CB 4.16Å; I66-I80 PolarHBondContact N-O 3.1Å; I66-I80 PolarHBondContact O-N 2.87Å; I68-I80 HydrophobicContact CD1-CD1 4.34Å; I68-I80 HydrophobicContact CG1-CD1 4.21Å; I80-L99 HydrophobicContact CD1-CD1 4.35Å; I80-W111 HydrophobicContact CG2-CB 4.44Å; I80-W111 HydrophobicContact CG2-CD2 3.57Å; I80-W111 HydrophobicContact CG2-CE3 3.26Å; I80-W111 HydrophobicContact CG2-CG 4.09Å; I80-W111 HydrophobicContact CG2-CH2 4.27Å; I80-W111 HydrophobicContact CG2-CZ3 3.64Å
81	S	98.8	Very high	98.7	Very high	77 Å²	77	51.6 Å²	51.6	54%	0.538	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	152.1	-173.9	63.5	0	0	0	0	111.6	W111	S81-W111 WeakPolarHBondContact O-CZ3 3.27Å
82	G	98.8	Very high	98.8	Very high	43 Å²	43	52.4 Å²	52.4	44%	0.443	27%	0.271	S	S	.	.			trans	152.5	-8.4	172.1	0	0	0	0	0	115	K109	G82-K109 VanDerWaalsContact O-CE 3.31Å; G82-K109 WeakPolarHBondContact O-CE 3.45Å
83	H	98.9	Very high	98.8	Very high	13 Å²	13	47.6 Å²	47.6	6%	0.06	25%	0.252	C	S	.	.			trans	-68.1	150.3	163.9	-85	-66.6	0	0	0	111.2	I87 S101 S103 D105 W111	H83-I87 HydrophobicContact CB-CD1 4.26Å; H83-I87 HydrophobicContact CB-CG1 4.12Å; H83-S101 PolarHBondContact CD2-OG 3.47Å; H83-S101 VanDerWaalsContact CD2-OG 3.28Å; H83-S101 PolarHBondContact NE2-OG 2.76Å; H83-S103 VanDerWaalsContact CE1-CB 3.41Å; H83-S103 WeakPolarHBondContact CE1-CB 3.28Å; H83-S103 WeakPolarHBondContact ND1-CB 3.31Å; H83-D105 WeakPolarHBondContact CA-OD2 3.16Å; H83-D105 IonicContact CE1-OD1 3.85Å; H83-D105 IonicContact CE1-OD2 3.98Å; H83-D105 IonicContact CG-OD2 3.62Å; H83-D105 IonicContact ND1-OD1 3.35Å; H83-D105 PolarHBondContact ND1-OD1 3.09Å; H83-D105 IonicContact ND1-OD2 2.86Å; H83-D105 PolarHBondContact ND1-OD2 3.17Å; H83-W111 AromaticContact CD2-CZ2 3.77Å
84	K	98.8	Very high	98.8	Very high	173 Å²	173	47.2 Å²	47.2	75%	0.752	26%	0.255	S	S	*	.	S	Bend	trans	-90.7	-26.7	-178	-65.3	-177.9	179.1	-175.7	0	112.8	K64 D105	K64-K84 VanDerWaalsContact CD-O 3.24Å; K64-K84 WeakPolarHBondContact CD-O 3.34Å; K84-D105 HydrophobicContact CB-CB 3.99Å; K84-D105 PolarHBondContact N-OD2 3.46Å
85	L	98.9	Very high	98.8	Very high	89 Å²	89	50.8 Å²	50.8	47%	0.466	27%	0.271	S	S	.	.	S	Bend	trans	-132	-179.2	179.9	-61.7	178	0	0	0	110.4	K64 S103 D104 D105	K64-L85 WeakPolarHBondContact CB-O 3.42Å; K64-L85 WeakPolarHBondContact CG-O 3.38Å; L85-S103 PolarHBondContact O-OG 2.93Å; L85-D104 HydrophobicContact CB-CB 3.84Å; L85-D104 HydrophobicContact CD1-CB 4.28Å; L85-D105 HydrophobicContact CB-CB 4.1Å; L85-D105 HydrophobicContact CD1-CB 4.42Å; L85-D105 HydrophobicContact CG-CB 4.22Å
86	G	98.8	Very high	98.8	Very high	8 Å²	8	44.4 Å²	44.4	8%	0.082	25%	0.245	C	C	.	.			trans	-53.9	150.9	-175.4	0	0	0	0	0	112.3	S103 D104	G86-S103 VanDerWaalsContact O-CA 3.27Å; G86-S103 WeakPolarHBondContact O-CA 3.32Å; G86-S103 WeakPolarHBondContact O-CB 3.1Å; G86-S103 PolarHBondContact O-OG 2.55Å; G86-D104 PolarHBondContact O-N 3.29Å
87	I	98.9	Very high	98.8	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.021	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	124.6	176.9	-57.2	174.6	0	0	0	106.9	S46 S60 S61 I66 H83 D89 A102	S46-I87 VanDerWaalsContact CB-O 3.25Å; S46-I87 WeakPolarHBondContact CB-O 3.37Å; S46-I87 PolarHBondContact OG-O 3.19Å; S60-I87 VanDerWaalsContact CB-CG2 3.43Å; S61-I87 PolarHBondContact O-N 3.42Å; S61-I87 VanDerWaalsContact O-N 3.09Å; I66-I87 HydrophobicContact CD1-CD1 4.36Å; I66-I87 HydrophobicContact CG1-CD1 3.72Å; H83-I87 HydrophobicContact CB-CD1 4.26Å; H83-I87 HydrophobicContact CB-CG1 4.12Å; I87-D89 VanDerWaalsContact CG2-O 3.31Å; I87-D89 WeakPolarHBondContact CG2-O 3.32Å; I87-A102 CarbonylContact C-O 3.53Å; I87-A102 WeakPolarHBondContact CA-O 3.31Å; I87-A102 VanDerWaalsContact CG2-O 3.28Å; I87-A102 WeakPolarHBondContact CG2-O 3.37Å
88	S	98.9	Very high	98.8	Very high	22 Å²	22	40.3 Å²	40.3	15%	0.154	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-30.7	-179.3	-72.1	0	0	0	0	112.3	S46 A102 D104 F130	S46-S88 WeakPolarHBondContact CB-O 3.4Å; S46-S88 PolarHBondContact OG-O 2.83Å; S88-A102 PolarHBondContact N-O 2.89Å; S88-D104 PolarHBondContact OG-OD1 2.79Å; S88-F130 WeakPolarHBondContact CB-O 3.27Å
89	D	98.9	Very high	98.8	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.027	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	159.2	179.9	-163	20.9	0	0	0	113	S47 K49 I87 S101 A102 F130 C132 F260	S47-D89 WeakPolarHBondContact CB-OD1 3.38Å; S47-D89 PolarHBondContact OG-OD1 2.59Å; K49-D89 IonicContact NZ-OD1 3.96Å; K49-D89 PolarHBondContact NZ-OD1 3.47Å; K49-D89 IonicContact NZ-OD2 3.43Å; I87-D89 VanDerWaalsContact CG2-O 3.31Å; I87-D89 WeakPolarHBondContact CG2-O 3.32Å; D89-S101 CarbonylContact O-C 3.57Å; D89-S101 VanDerWaalsContact O-CA 3.31Å; D89-S101 WeakPolarHBondContact O-CA 3.39Å; D89-A102 HydrophobicContact CB-CB 4.39Å; D89-A102 PolarHBondContact O-N 3.49Å; D89-F130 WeakPolarHBondContact CB-O 3.36Å; D89-C132 PolarHBondContact OD2-N 3.41Å; D89-C132 VanDerWaalsContact OD2-N 3.15Å; D89-F260 WeakPolarHBondContact OD1-CZ 3.11Å
90	V	98.9	Very high	98.8	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	146	175.7	66.3	0	0	0	0	109.7	K49 A58 I66 L99 V100	K49-V90 HydrophobicContact CG-CG1 4.33Å; K49-V90 WeakPolarHBondContact CG-O 3.43Å; K49-V90 PolarHBondContact NZ-O 2.87Å; A58-V90 HydrophobicContact CB-CG1 4.41Å; A58-V90 HydrophobicContact CB-CG2 4.38Å; I66-V90 HydrophobicContact CD1-CG2 4.31Å; I66-V90 HydrophobicContact CG2-CG2 4.45Å; V90-L99 HydrophobicContact CG2-CB 4.44Å; V90-L99 HydrophobicContact CG2-CD1 4.22Å; V90-L99 HydrophobicContact CG2-CD2 3.77Å; V90-L99 HydrophobicContact CG2-CG 4.38Å; V90-V100 CarbonylContact C-O 3.55Å; V90-V100 VanDerWaalsContact CA-O 3.27Å; V90-V100 WeakPolarHBondContact CA-O 3.13Å; V90-V100 WeakPolarHBondContact CG2-O 3.27Å
91	A	98.9	Very high	98.8	Very high	3 Å²	3	34.9 Å²	34.9	3%	0.025	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	148.2	176.4	0	0	0	0	0	112.1	L99 V100	A91-L99 CarbonylContact O-C 3.52Å; A91-L99 WeakPolarHBondContact O-CA 3.41Å; A91-L99 VanDerWaalsContact O-CD2 3.29Å; A91-L99 WeakPolarHBondContact O-CD2 3.46Å; A91-V100 HydrophobicContact CB-CG1 3.87Å; A91-V100 PolarHBondContact N-O 3.3Å; A91-V100 PolarHBondContact O-N 3.03Å
92	W	98.9	Very high	98.8	Very high	17 Å²	17	31.2 Å²	31.2	6%	0.064	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	147.3	179.1	-68.4	93	0	0	0	112.3	K49 F50 P52 W56 A58 I68 S96 L98 L99 V113 F134	K49-W92 PolarHBondContact O-NE1 3.05Å; F50-W92 VanDerWaalsContact O-CD1 3.27Å; P52-W92 HydrophobicContact CG-CB 4.31Å; W56-W92 HydrophobicContact CB-CH2 3.74Å; W56-W92 HydrophobicContact CB-CZ2 3.81Å; W56-W92 HydrophobicContact CG-CH2 4.29Å; A58-W92 HydrophobicContact CB-CZ2 3.61Å; I68-W92 HydrophobicContact CD1-CH2 4.28Å; I68-W92 HydrophobicContact CD1-CZ2 4.27Å; W92-S96 WeakPolarHBondContact CZ3-O 3.47Å; W92-L98 WeakPolarHBondContact CA-O 3.48Å; W92-L99 HydrophobicContact CB-CD2 4.28Å; W92-L99 HydrophobicContact CD2-CD2 3.36Å; W92-L99 HydrophobicContact CD2-CG 4.17Å; W92-L99 HydrophobicContact CE3-CD2 3.76Å; W92-L99 HydrophobicContact CE3-CG 4.08Å; W92-L99 HydrophobicContact CG-CD2 3.59Å; W92-L99 HydrophobicContact CZ2-CD2 4.22Å; W92-L99 HydrophobicContact CZ3-CD2 4.35Å; W92-L99 HydrophobicContact CZ3-CG 4.3Å; W92-V113 HydrophobicContact CE3-CG2 4.26Å; W92-V113 HydrophobicContact CH2-CG1 3.9Å; W92-V113 HydrophobicContact CH2-CG2 4.23Å; W92-V113 HydrophobicContact CZ3-CB 4.2Å; W92-V113 HydrophobicContact CZ3-CG1 3.89Å; W92-V113 HydrophobicContact CZ3-CG2 3.64Å; W92-F134 VanDerWaalsContact C-CD2 3.42Å; W92-F134 WeakPolarHBondContact O-CD2 3.48Å
93	S	98.9	Very high	98.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.155	C	C	.	.			trans	-69.1	154.3	158.5	57.9	0	0	0	0	110.7	P52 D95 S96 N97 L98 S138	P52-S93 WeakPolarHBondContact CG-O 3.16Å; S93-D95 WeakPolarHBondContact CB-OD1 3.39Å; S93-D95 PolarHBondContact O-N 3.05Å; S93-D95 PolarHBondContact OG-OD1 2.8Å; S93-S96 PolarHBondContact O-N 2.8Å; S93-N97 PolarHBondContact OG-N 2.86Å; S93-L98 PolarHBondContact N-O 2.89Å; S93-L98 WeakPolarHBondContact OG-CA 3.24Å; S93-L98 WeakPolarHBondContact OG-CB 3.17Å; S93-L98 PolarHBondContact OG-N 2.99Å; S93-L98 PolarHBondContact OG-O 3.47Å; S93-S138 WeakPolarHBondContact CA-OG 3.35Å; S93-S138 WeakPolarHBondContact CB-OG 3.41Å
94	S	98.6	Very high	98.9	Very high	63 Å²	63	30.6 Å²	30.6	44%	0.441	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-24.6	-179.2	51.3	0	0	0	0	114.7	P52 P136 S138	P52-S94 WeakPolarHBondContact CB-O 3.2Å; S94-P136 VanDerWaalsContact CB-O 3.27Å; S94-P136 WeakPolarHBondContact CB-O 3.2Å; S94-P136 PolarHBondContact OG-O 3.22Å; S94-S138 PolarHBondContact N-OG 2.98Å; S94-S138 PolarHBondContact OG-OG 3.49Å
95	D	98.5	Very high	98.9	Very high	86 Å²	86	23.7 Å²	23.7	46%	0.46	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	1.9	175	70.5	-12.2	0	0	0	113.7	S93 N97	S93-D95 WeakPolarHBondContact CB-OD1 3.39Å; S93-D95 PolarHBondContact O-N 3.05Å; S93-D95 PolarHBondContact OG-OD1 2.8Å; D95-N97 VanDerWaalsContact CG-ND2 3.26Å; D95-N97 PolarHBondContact O-N 2.88Å; D95-N97 PolarHBondContact OD1-N 2.92Å; D95-N97 VanDerWaalsContact OD1-N 3.09Å; D95-N97 PolarHBondContact OD2-ND2 3.16Å
96	S	98.8	Very high	98.9	Very high	13 Å²	13	23.9 Å²	23.9	9%	0.091	13%	0.132	C	C	.	.	S	Bend	trans	62.2	11.9	-177.8	-48.2	0	0	0	0	115.6	P52 S53 W92 S93	P52-S96 WeakPolarHBondContact CD-OG 3.21Å; S53-S96 WeakPolarHBondContact CB-OG 3.31Å; S53-S96 PolarHBondContact N-OG 3.08Å; S53-S96 PolarHBondContact OG-OG 2.92Å; W92-S96 WeakPolarHBondContact CZ3-O 3.47Å; S93-S96 PolarHBondContact O-N 2.8Å
97	N	98.7	Very high	98.9	Very high	87 Å²	87	24.4 Å²	24.4	47%	0.465	13%	0.134	S	C	.	.	S	Bend	trans	-91.1	-27.3	-177.6	-68.4	-41.6	0	0	0	113.3	S93 D95 V113	S93-N97 PolarHBondContact OG-N 2.86Å; D95-N97 VanDerWaalsContact CG-ND2 3.26Å; D95-N97 PolarHBondContact O-N 2.88Å; D95-N97 PolarHBondContact OD1-N 2.92Å; D95-N97 VanDerWaalsContact OD1-N 3.09Å; D95-N97 PolarHBondContact OD2-ND2 3.16Å; N97-V113 WeakPolarHBondContact O-CB 3.34Å; N97-V113 WeakPolarHBondContact O-CG2 3.41Å; N97-V113 PolarHBondContact O-N 2.94Å
98	L	98.9	Very high	98.9	Very high	30 Å²	30	24.2 Å²	24.2	16%	0.157	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	148.3	-177.1	-53.5	179.6	0	0	0	111.9	W92 S93 I110 W111 L119 F134 V155	W92-L98 WeakPolarHBondContact CA-O 3.48Å; S93-L98 PolarHBondContact N-O 2.89Å; S93-L98 WeakPolarHBondContact OG-CA 3.24Å; S93-L98 WeakPolarHBondContact OG-CB 3.17Å; S93-L98 PolarHBondContact OG-N 2.99Å; S93-L98 PolarHBondContact OG-O 3.47Å; L98-I110 HydrophobicContact CD1-CG2 4.29Å; L98-W111 VanDerWaalsContact CA-O 3.23Å; L98-W111 WeakPolarHBondContact CA-O 3.25Å; L98-W111 WeakPolarHBondContact CD2-O 3.48Å; L98-L119 HydrophobicContact CD2-CD1 3.65Å; L98-F134 HydrophobicContact CB-CZ 4.09Å; L98-V155 HydrophobicContact CD1-CG1 4.18Å
99	L	98.9	Very high	98.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	148.4	163.5	-77.9	175.3	0	0	0	110.1	A58 I66 I68 I80 V90 A91 W92 I110 W111 V113	A58-L99 HydrophobicContact CB-CD1 3.97Å; A58-L99 HydrophobicContact CB-CD2 4.1Å; I66-L99 HydrophobicContact CG2-CD1 4Å; I68-L99 HydrophobicContact CD1-CD1 3.65Å; I80-L99 HydrophobicContact CD1-CD1 4.35Å; V90-L99 HydrophobicContact CG2-CB 4.44Å; V90-L99 HydrophobicContact CG2-CD1 4.22Å; V90-L99 HydrophobicContact CG2-CD2 3.77Å; V90-L99 HydrophobicContact CG2-CG 4.38Å; A91-L99 CarbonylContact O-C 3.52Å; A91-L99 WeakPolarHBondContact O-CA 3.41Å; A91-L99 VanDerWaalsContact O-CD2 3.29Å; A91-L99 WeakPolarHBondContact O-CD2 3.46Å; W92-L99 HydrophobicContact CB-CD2 4.28Å; W92-L99 HydrophobicContact CD2-CD2 3.36Å; W92-L99 HydrophobicContact CD2-CG 4.17Å; W92-L99 HydrophobicContact CE3-CD2 3.76Å; W92-L99 HydrophobicContact CE3-CG 4.08Å; W92-L99 HydrophobicContact CG-CD2 3.59Å; W92-L99 HydrophobicContact CZ2-CD2 4.22Å; W92-L99 HydrophobicContact CZ3-CD2 4.35Å; W92-L99 HydrophobicContact CZ3-CG 4.3Å; L99-I110 CarbonylContact O-C 3.55Å; L99-I110 WeakPolarHBondContact O-CA 3.4Å; L99-W111 HydrophobicContact CB-CB 4.26Å; L99-W111 PolarHBondContact N-O 2.98Å; L99-W111 PolarHBondContact O-N 2.77Å; L99-V113 HydrophobicContact CB-CG2 4.18Å; L99-V113 HydrophobicContact CD1-CG2 3.9Å; L99-V113 HydrophobicContact CG-CG2 3.6Å
100	V	99	Very high	98.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	141.1	159.9	63.6	0	0	0	0	108.8	V90 A91 L108 K109 C132 F134 I141	V90-V100 CarbonylContact C-O 3.55Å; V90-V100 VanDerWaalsContact CA-O 3.27Å; V90-V100 WeakPolarHBondContact CA-O 3.13Å; V90-V100 WeakPolarHBondContact CG2-O 3.27Å; A91-V100 HydrophobicContact CB-CG1 3.87Å; A91-V100 PolarHBondContact N-O 3.3Å; A91-V100 PolarHBondContact O-N 3.03Å; V100-L108 HydrophobicContact CG2-CB 4.07Å; V100-L108 HydrophobicContact CG2-CD2 3.87Å; V100-K109 CarbonylContact C-O 3.58Å; V100-K109 VanDerWaalsContact CA-O 3.26Å; V100-K109 WeakPolarHBondContact CA-O 3.4Å; V100-C132 HydrophobicContact CG1-CB 4.28Å; V100-F134 HydrophobicContact CB-CD2 4.38Å; V100-F134 HydrophobicContact CB-CE2 3.66Å; V100-F134 HydrophobicContact CB-CZ 4.03Å; V100-F134 HydrophobicContact CG1-CD2 3.7Å; V100-F134 HydrophobicContact CG1-CE2 3.46Å; V100-F134 VanDerWaalsContact CG1-CE2 3.46Å; V100-F134 HydrophobicContact CG1-CZ 4.24Å; V100-I141 HydrophobicContact CB-CD1 3.93Å; V100-I141 HydrophobicContact CB-CG1 4.37Å; V100-I141 HydrophobicContact CG1-CD1 4.47Å; V100-I141 HydrophobicContact CG1-CG1 4.38Å; V100-I141 HydrophobicContact CG2-CD1 3.8Å; V100-I141 HydrophobicContact CG2-CG1 4.37Å; V100-I141 HydrophobicContact CG2-CG2 4.07Å
101	S	98.9	Very high	98.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	144.4	173.6	53.9	0	0	0	0	111.9	H83 D89 L108 K109 W111	H83-S101 PolarHBondContact CD2-OG 3.47Å; H83-S101 VanDerWaalsContact CD2-OG 3.28Å; H83-S101 PolarHBondContact NE2-OG 2.76Å; D89-S101 CarbonylContact O-C 3.57Å; D89-S101 VanDerWaalsContact O-CA 3.31Å; D89-S101 WeakPolarHBondContact O-CA 3.39Å; S101-L108 CarbonylContact O-C 3.59Å; S101-L108 WeakPolarHBondContact O-CA 3.29Å; S101-L108 VanDerWaalsContact O-CB 3.32Å; S101-L108 WeakPolarHBondContact O-CB 3.47Å; S101-K109 PolarHBondContact N-O 3.15Å; S101-K109 PolarHBondContact O-N 2.79Å; S101-K109 VanDerWaalsContact O-N 3.1Å; S101-W111 PolarHBondContact OG-NE1 2.76Å
102	A	98.9	Very high	98.9	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	129.8	179	0	0	0	0	0	110.5	I87 S88 D89 L108 V129 C132	I87-A102 CarbonylContact C-O 3.53Å; I87-A102 WeakPolarHBondContact CA-O 3.31Å; I87-A102 VanDerWaalsContact CG2-O 3.28Å; I87-A102 WeakPolarHBondContact CG2-O 3.37Å; S88-A102 PolarHBondContact N-O 2.89Å; D89-A102 HydrophobicContact CB-CB 4.39Å; D89-A102 PolarHBondContact O-N 3.49Å; A102-L108 HydrophobicContact CB-CD2 4.33Å; A102-V129 CarbonylContact C-O 3.39Å; A102-V129 HydrophobicContact CB-CB 3.97Å; A102-V129 HydrophobicContact CB-CG1 3.69Å; A102-V129 WeakPolarHBondContact CB-O 3.34Å; A102-C132 HydrophobicContact CB-CB 4.07Å
103	S	98.9	Very high	98.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	154.8	-170.5	179.9	0	0	0	0	114	H83 L85 G86 D105 K106 T107 V129	H83-S103 VanDerWaalsContact CE1-CB 3.41Å; H83-S103 WeakPolarHBondContact CE1-CB 3.28Å; H83-S103 WeakPolarHBondContact ND1-CB 3.31Å; L85-S103 PolarHBondContact O-OG 2.93Å; G86-S103 VanDerWaalsContact O-CA 3.27Å; G86-S103 WeakPolarHBondContact O-CA 3.32Å; G86-S103 WeakPolarHBondContact O-CB 3.1Å; G86-S103 PolarHBondContact O-OG 2.55Å; S103-D105 WeakPolarHBondContact CB-OD1 3.42Å; S103-D105 PolarHBondContact O-N 2.79Å; S103-D105 VanDerWaalsContact OG-CG 3.31Å; S103-D105 PolarHBondContact OG-N 2.81Å; S103-D105 VanDerWaalsContact OG-N 3.16Å; S103-D105 PolarHBondContact OG-OD1 2.68Å; S103-K106 PolarHBondContact O-N 2.88Å; S103-K106 VanDerWaalsContact O-N 3.1Å; S103-T107 PolarHBondContact N-O 3.43Å; S103-V129 PolarHBondContact N-O 2.86Å; S103-V129 PolarHBondContact O-N 2.85Å; S103-V129 VanDerWaalsContact O-N 3.1Å
104	D	98.9	Very high	98.8	Very high	43 Å²	43	30 Å²	30	23%	0.23	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-14.7	170.1	-55.8	-13.4	0	0	0	112.1	L85 G86 S88 K106 Y128	L85-D104 HydrophobicContact CB-CB 3.84Å; L85-D104 HydrophobicContact CD1-CB 4.28Å; G86-D104 PolarHBondContact O-N 3.29Å; S88-D104 PolarHBondContact OG-OD1 2.79Å; D104-K106 PolarHBondContact O-N 2.84Å; D104-K106 VanDerWaalsContact O-N 3.08Å; D104-Y128 HydrophobicContact CB-CD1 3.71Å; D104-Y128 HydrophobicContact CB-CE1 3.99Å; D104-Y128 HydrophobicContact CB-CG 4.07Å; D104-Y128 WeakPolarHBondContact O-CD1 3.15Å
105	D	98.9	Very high	98.8	Very high	27 Å²	27	30 Å²	30	14%	0.144	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	8.2	171.5	74.9	16.8	0	0	0	113.9	H83 K84 L85 S103 T107	H83-D105 WeakPolarHBondContact CA-OD2 3.16Å; H83-D105 IonicContact CE1-OD1 3.85Å; H83-D105 IonicContact CE1-OD2 3.98Å; H83-D105 IonicContact CG-OD2 3.62Å; H83-D105 IonicContact ND1-OD1 3.35Å; H83-D105 PolarHBondContact ND1-OD1 3.09Å; H83-D105 IonicContact ND1-OD2 2.86Å; H83-D105 PolarHBondContact ND1-OD2 3.17Å; K84-D105 HydrophobicContact CB-CB 3.99Å; K84-D105 PolarHBondContact N-OD2 3.46Å; L85-D105 HydrophobicContact CB-CB 4.1Å; L85-D105 HydrophobicContact CD1-CB 4.42Å; L85-D105 HydrophobicContact CG-CB 4.22Å; S103-D105 WeakPolarHBondContact CB-OD1 3.42Å; S103-D105 PolarHBondContact O-N 2.79Å; S103-D105 VanDerWaalsContact OG-CG 3.31Å; S103-D105 PolarHBondContact OG-N 2.81Å; S103-D105 VanDerWaalsContact OG-N 3.16Å; S103-D105 PolarHBondContact OG-OD1 2.68Å; D105-T107 PolarHBondContact O-N 2.93Å; D105-T107 WeakPolarHBondContact OD1-CB 3.27Å; D105-T107 PolarHBondContact OD1-N 3.36Å; D105-T107 PolarHBondContact OD1-OG1 3.43Å
106	K	98.9	Very high	98.7	Very high	94 Å²	94	27 Å²	27	41%	0.409	16%	0.157	S	C	.	.	S	Bend	trans	69.2	13.1	177	-44.1	179.7	175.1	-162.8	0	113.6	S103 D104 S126 N127	S103-K106 PolarHBondContact O-N 2.88Å; S103-K106 VanDerWaalsContact O-N 3.1Å; D104-K106 PolarHBondContact O-N 2.84Å; D104-K106 VanDerWaalsContact O-N 3.08Å; K106-S126 WeakPolarHBondContact CD-O 3.47Å; K106-S126 WeakPolarHBondContact CE-O 3.4Å; K106-S126 PolarHBondContact NZ-O 3.09Å; K106-N127 WeakPolarHBondContact CA-O 3.39Å; K106-N127 WeakPolarHBondContact CB-O 3.44Å
107	T	98.9	Very high	98.7	Very high	19 Å²	19	33.1 Å²	33.1	12%	0.117	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	156.4	178.8	75.3	0	0	0	0	111.5	S103 D105 T121 L122 K123	S103-T107 PolarHBondContact N-O 3.43Å; D105-T107 PolarHBondContact O-N 2.93Å; D105-T107 WeakPolarHBondContact OD1-CB 3.27Å; D105-T107 PolarHBondContact OD1-N 3.36Å; D105-T107 PolarHBondContact OD1-OG1 3.43Å; T107-T121 HydrophobicContact CG2-CG2 3.92Å; T107-L122 WeakPolarHBondContact CA-O 3.28Å; T107-K123 HydrophobicContact CG2-CG 4.09Å
108	L	98.9	Very high	98.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	154.6	156.1	-53.9	92.7	0	0	0	109.8	V100 S101 A102 T121 L122 V129 C132 I141 W153	V100-L108 HydrophobicContact CG2-CB 4.07Å; V100-L108 HydrophobicContact CG2-CD2 3.87Å; S101-L108 CarbonylContact O-C 3.59Å; S101-L108 WeakPolarHBondContact O-CA 3.29Å; S101-L108 VanDerWaalsContact O-CB 3.32Å; S101-L108 WeakPolarHBondContact O-CB 3.47Å; A102-L108 HydrophobicContact CB-CD2 4.33Å; L108-T121 CarbonylContact O-C 3.53Å; L108-T121 WeakPolarHBondContact O-CA 3.26Å; L108-L122 HydrophobicContact CB-CB 4.02Å; L108-L122 HydrophobicContact CB-CD1 4.02Å; L108-L122 HydrophobicContact CB-CG 4.16Å; L108-L122 HydrophobicContact CD1-CB 4.24Å; L108-L122 PolarHBondContact N-O 2.89Å; L108-L122 VanDerWaalsContact N-O 3.11Å; L108-L122 PolarHBondContact O-N 2.77Å; L108-V129 HydrophobicContact CD1-CB 4.47Å; L108-V129 HydrophobicContact CD1-CG1 3.81Å; L108-V129 HydrophobicContact CD1-CG2 4.11Å; L108-V129 HydrophobicContact CD2-CG1 4.11Å; L108-V129 HydrophobicContact CG-CB 4.46Å; L108-V129 HydrophobicContact CG-CG1 3.85Å; L108-V129 HydrophobicContact CG-CG2 4.49Å; L108-C132 HydrophobicContact CD2-CB 3.54Å; L108-I141 HydrophobicContact CD2-CG2 4.2Å; L108-W153 HydrophobicContact CD1-CZ2 3.96Å
109	K	98.9	Very high	98.7	Very high	27 Å²	27	34.1 Å²	34.1	12%	0.117	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	139.3	170.6	-72.1	175.3	-179.1	-75.3	0	110.6	G82 V100 S101 W111 K120 T121	G82-K109 VanDerWaalsContact O-CE 3.31Å; G82-K109 WeakPolarHBondContact O-CE 3.45Å; V100-K109 CarbonylContact C-O 3.58Å; V100-K109 VanDerWaalsContact CA-O 3.26Å; V100-K109 WeakPolarHBondContact CA-O 3.4Å; S101-K109 PolarHBondContact N-O 3.15Å; S101-K109 PolarHBondContact O-N 2.79Å; S101-K109 VanDerWaalsContact O-N 3.1Å; K109-W111 HydrophobicContact CB-CD2 4.32Å; K109-W111 VanDerWaalsContact CB-CE2 3.44Å; K109-W111 HydrophobicContact CB-CH2 4.25Å; K109-W111 HydrophobicContact CB-CZ2 3.41Å; K109-W111 VanDerWaalsContact CB-CZ2 3.41Å; K109-W111 HydrophobicContact CD-CH2 3.52Å; K109-W111 HydrophobicContact CD-CZ2 3.31Å; K109-W111 HydrophobicContact CG-CZ2 3.99Å; K109-W111 PolarHBondContact O-NE1 3.12Å; K109-K120 VanDerWaalsContact CA-O 3.31Å; K109-K120 WeakPolarHBondContact CA-O 3.42Å; K109-T121 HydrophobicContact CG-CG2 4.3Å; K109-T121 PolarHBondContact NZ-OG1 3.02Å
110	I	98.9	Very high	98.7	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	128.7	171.7	-52	-179.9	0	0	0	107.4	L98 L99 C118 L119 K120 L122 I141 V155	L98-I110 HydrophobicContact CD1-CG2 4.29Å; L99-I110 CarbonylContact O-C 3.55Å; L99-I110 WeakPolarHBondContact O-CA 3.4Å; I110-C118 CarbonylContact O-C 3.57Å; I110-L119 PolarHBondContact O-N 3.46Å; I110-K120 HydrophobicContact CB-CB 4.12Å; I110-K120 HydrophobicContact CD1-CB 4.02Å; I110-K120 HydrophobicContact CD1-CG 4.24Å; I110-K120 HydrophobicContact CG1-CB 4.12Å; I110-K120 PolarHBondContact N-O 3.15Å; I110-K120 PolarHBondContact O-N 2.9Å; I110-L122 HydrophobicContact CD1-CD1 4.29Å; I110-L122 HydrophobicContact CD1-CD2 4.1Å; I110-L122 HydrophobicContact CG1-CD1 4.3Å; I110-L122 HydrophobicContact CG1-CD2 4.43Å; I110-L122 HydrophobicContact CG1-CG 4.4Å; I110-I141 HydrophobicContact CD1-CD1 3.49Å; I110-I141 VanDerWaalsContact CD1-CD1 3.49Å; I110-I141 HydrophobicContact CG1-CD1 3.66Å; I110-V155 HydrophobicContact CD1-CB 4.45Å; I110-V155 HydrophobicContact CD1-CG1 4.16Å
111	W	98.9	Very high	98.7	Very high	3 Å²	3	40.4 Å²	40.4	1%	0.011	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	138.7	-174.5	-47.7	90.6	0	0	0	110.2	I80 S81 H83 L98 L99 S101 K109 K117 C118	I80-W111 HydrophobicContact CG2-CB 4.44Å; I80-W111 HydrophobicContact CG2-CD2 3.57Å; I80-W111 HydrophobicContact CG2-CE3 3.26Å; I80-W111 HydrophobicContact CG2-CG 4.09Å; I80-W111 HydrophobicContact CG2-CH2 4.27Å; I80-W111 HydrophobicContact CG2-CZ3 3.64Å; S81-W111 WeakPolarHBondContact O-CZ3 3.27Å; H83-W111 AromaticContact CD2-CZ2 3.77Å; L98-W111 VanDerWaalsContact CA-O 3.23Å; L98-W111 WeakPolarHBondContact CA-O 3.25Å; L98-W111 WeakPolarHBondContact CD2-O 3.48Å; L99-W111 HydrophobicContact CB-CB 4.26Å; L99-W111 PolarHBondContact N-O 2.98Å; L99-W111 PolarHBondContact O-N 2.77Å; S101-W111 PolarHBondContact OG-NE1 2.76Å; K109-W111 HydrophobicContact CB-CD2 4.32Å; K109-W111 VanDerWaalsContact CB-CE2 3.44Å; K109-W111 HydrophobicContact CB-CH2 4.25Å; K109-W111 HydrophobicContact CB-CZ2 3.41Å; K109-W111 VanDerWaalsContact CB-CZ2 3.41Å; K109-W111 HydrophobicContact CD-CH2 3.52Å; K109-W111 HydrophobicContact CD-CZ2 3.31Å; K109-W111 HydrophobicContact CG-CZ2 3.99Å; K109-W111 PolarHBondContact O-NE1 3.12Å; W111-K117 WeakPolarHBondContact CA-O 3.49Å; W111-C118 HydrophobicContact CE3-CB 3.72Å; W111-C118 HydrophobicContact CH2-CB 4.2Å; W111-C118 HydrophobicContact CZ3-CB 3.51Å
112	D	98.8	Very high	98.7	Very high	35 Å²	35	40.4 Å²	40.4	19%	0.187	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	119.8	160.6	176.3	-94	0	0	0	108.6	S114 S115 G116 K117 L119	D112-S114 PolarHBondContact OD1-N 3.28Å; D112-S114 PolarHBondContact OD1-OG 2.99Å; D112-S115 WeakPolarHBondContact CB-OG 3.38Å; D112-S115 VanDerWaalsContact OD1-CB 3.22Å; D112-S115 WeakPolarHBondContact OD1-CB 3.31Å; D112-S115 PolarHBondContact OD1-N 2.73Å; D112-S115 PolarHBondContact OD1-OG 3.44Å; D112-G116 WeakPolarHBondContact O-CA 3.31Å; D112-G116 PolarHBondContact O-N 3.42Å; D112-K117 PolarHBondContact N-O 3.31Å; D112-K117 PolarHBondContact O-N 3.37Å; D112-L119 HydrophobicContact CB-CD1 4.04Å; D112-L119 HydrophobicContact CB-CD2 3.97Å; D112-L119 HydrophobicContact CB-CG 4.03Å
113	V	98.4	Very high	98.7	Very high	13 Å²	13	48 Å²	48	8%	0.079	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-34	-172.1	176.4	0	0	0	0	111.7	K78 W92 N97 L99	K78-V113 PolarHBondContact NZ-O 2.75Å; W92-V113 HydrophobicContact CE3-CG2 4.26Å; W92-V113 HydrophobicContact CH2-CG1 3.9Å; W92-V113 HydrophobicContact CH2-CG2 4.23Å; W92-V113 HydrophobicContact CZ3-CB 4.2Å; W92-V113 HydrophobicContact CZ3-CG1 3.89Å; W92-V113 HydrophobicContact CZ3-CG2 3.64Å; N97-V113 WeakPolarHBondContact O-CB 3.34Å; N97-V113 WeakPolarHBondContact O-CG2 3.41Å; N97-V113 PolarHBondContact O-N 2.94Å; L99-V113 HydrophobicContact CB-CG2 4.18Å; L99-V113 HydrophobicContact CD1-CG2 3.9Å; L99-V113 HydrophobicContact CG-CG2 3.6Å
114	S	97.9	Very high	98.7	Very high	88 Å²	88	49.6 Å²	49.6	62%	0.615	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-48.9	-179.1	78.5	0	0	0	0	111.3	K78 D112	K78-S114 PolarHBondContact NZ-O 3.3Å; D112-S114 PolarHBondContact OD1-N 3.28Å; D112-S114 PolarHBondContact OD1-OG 2.99Å
115	S	98.1	Very high	98.7	Very high	63 Å²	63	48.1 Å²	48.1	44%	0.441	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-16.3	-177.4	67.7	0	0	0	0	114	D112 K117	D112-S115 WeakPolarHBondContact CB-OG 3.38Å; D112-S115 VanDerWaalsContact OD1-CB 3.22Å; D112-S115 WeakPolarHBondContact OD1-CB 3.31Å; D112-S115 PolarHBondContact OD1-N 2.73Å; D112-S115 PolarHBondContact OD1-OG 3.44Å; S115-K117 PolarHBondContact O-N 3.24Å; S115-K117 WeakPolarHBondContact OG-CB 3.45Å; S115-K117 WeakPolarHBondContact OG-CG 3.27Å; S115-K117 PolarHBondContact OG-N 2.56Å
116	G	97.8	Very high	98.7	Very high	22 Å²	22	50.6 Å²	50.6	23%	0.227	28%	0.283	C	S	.	.			trans	70.2	9.8	-173.3	0	0	0	0	0	114.2	D112	D112-G116 WeakPolarHBondContact O-CA 3.31Å; D112-G116 PolarHBondContact O-N 3.42Å
117	K	98.5	Very high	98.7	Very high	143 Å²	143	48.7 Å²	48.7	62%	0.622	28%	0.277	S	S	*	.			trans	-79.5	138.6	-175.9	-70.1	179.9	-179.5	176.5	0	111.7	W111 D112 S115 L119	W111-K117 WeakPolarHBondContact CA-O 3.49Å; D112-K117 PolarHBondContact N-O 3.31Å; D112-K117 PolarHBondContact O-N 3.37Å; S115-K117 PolarHBondContact O-N 3.24Å; S115-K117 WeakPolarHBondContact OG-CB 3.45Å; S115-K117 WeakPolarHBondContact OG-CG 3.27Å; S115-K117 PolarHBondContact OG-N 2.56Å; K117-L119 PolarHBondContact O-N 2.87Å
118	C	98.8	Very high	98.7	Very high	53 Å²	53	52.6 Å²	52.6	36%	0.358	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	107.8	166.2	-179.4	0	0	0	0	109.5	I110 W111 K120	I110-C118 CarbonylContact O-C 3.57Å; W111-C118 HydrophobicContact CE3-CB 3.72Å; W111-C118 HydrophobicContact CH2-CB 4.2Å; W111-C118 HydrophobicContact CZ3-CB 3.51Å; C118-K120 PolarHBondContact SG-O 2.88Å; C118-K120 VanDerWaalsContact SG-O 3.41Å
119	L	98.8	Very high	98.7	Very high	85 Å²	85	52.6 Å²	52.6	45%	0.445	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	-41.7	178	-58.5	-176.6	0	0	0	112.1	L98 I110 D112 K117	L98-L119 HydrophobicContact CD2-CD1 3.65Å; I110-L119 PolarHBondContact O-N 3.46Å; D112-L119 HydrophobicContact CB-CD1 4.04Å; D112-L119 HydrophobicContact CB-CD2 3.97Å; D112-L119 HydrophobicContact CB-CG 4.03Å; K117-L119 PolarHBondContact O-N 2.87Å
120	K	98.8	Very high	98.7	Very high	79 Å²	79	53.4 Å²	53.4	34%	0.343	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	148.7	-177	-59.6	-67.4	174	176.4	0	111	K109 I110 C118 L122 K156	K109-K120 VanDerWaalsContact CA-O 3.31Å; K109-K120 WeakPolarHBondContact CA-O 3.42Å; I110-K120 HydrophobicContact CB-CB 4.12Å; I110-K120 HydrophobicContact CD1-CB 4.02Å; I110-K120 HydrophobicContact CD1-CG 4.24Å; I110-K120 HydrophobicContact CG1-CB 4.12Å; I110-K120 PolarHBondContact N-O 3.15Å; I110-K120 PolarHBondContact O-N 2.9Å; C118-K120 PolarHBondContact SG-O 2.88Å; C118-K120 VanDerWaalsContact SG-O 3.41Å; K120-L122 HydrophobicContact CB-CD2 4.13Å; K120-K156 VanDerWaalsContact CE-O 3.23Å; K120-K156 WeakPolarHBondContact CE-O 3.3Å; K120-K156 PolarHBondContact NZ-O 3.3Å
121	T	98.9	Very high	98.7	Very high	52 Å²	52	53.5 Å²	53.5	32%	0.319	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	113.8	165.4	-60.6	0	0	0	0	107.7	T107 L108 K109 K123	T107-T121 HydrophobicContact CG2-CG2 3.92Å; L108-T121 CarbonylContact O-C 3.53Å; L108-T121 WeakPolarHBondContact O-CA 3.26Å; K109-T121 HydrophobicContact CG-CG2 4.3Å; K109-T121 PolarHBondContact NZ-OG1 3.02Å; T121-K123 HydrophobicContact CG2-CG 4.1Å; T121-K123 PolarHBondContact O-N 2.81Å
122	L	98.9	Very high	98.7	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	109.3	-178.7	-46.8	-173.8	0	0	0	108.2	T107 L108 I110 K120 I141 W153 G158	T107-L122 WeakPolarHBondContact CA-O 3.28Å; L108-L122 HydrophobicContact CB-CB 4.02Å; L108-L122 HydrophobicContact CB-CD1 4.02Å; L108-L122 HydrophobicContact CB-CG 4.16Å; L108-L122 HydrophobicContact CD1-CB 4.24Å; L108-L122 PolarHBondContact N-O 2.89Å; L108-L122 VanDerWaalsContact N-O 3.11Å; L108-L122 PolarHBondContact O-N 2.77Å; I110-L122 HydrophobicContact CD1-CD1 4.29Å; I110-L122 HydrophobicContact CD1-CD2 4.1Å; I110-L122 HydrophobicContact CG1-CD1 4.3Å; I110-L122 HydrophobicContact CG1-CD2 4.43Å; I110-L122 HydrophobicContact CG1-CG 4.4Å; K120-L122 HydrophobicContact CB-CD2 4.13Å; L122-I141 HydrophobicContact CD1-CD1 4.01Å; L122-I141 HydrophobicContact CD1-CG2 4.4Å; L122-W153 HydrophobicContact CB-CD2 4.06Å; L122-W153 HydrophobicContact CB-CE3 3.75Å; L122-W153 HydrophobicContact CB-CH2 4.31Å; L122-W153 HydrophobicContact CB-CZ3 3.89Å; L122-W153 HydrophobicContact CD1-CB 3.87Å; L122-W153 HydrophobicContact CD1-CD2 3.99Å; L122-W153 HydrophobicContact CD1-CE3 4.33Å; L122-W153 HydrophobicContact CD1-CG 3.78Å; L122-W153 HydrophobicContact CG-CE3 4.43Å; L122-G158 WeakPolarHBondContact CD2-O 3.18Å
123	K	98.8	Very high	98.7	Very high	159 Å²	159	53.4 Å²	53.4	69%	0.691	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.1	137.8	-179.2	-62	-178.2	-178.3	178.8	0	109.6	T107 T121 W153	T107-K123 HydrophobicContact CG2-CG 4.09Å; T121-K123 HydrophobicContact CG2-CG 4.1Å; T121-K123 PolarHBondContact O-N 2.81Å; K123-W153 WeakPolarHBondContact O-CZ3 3.35Å
124	G	98.7	Very high	98.7	Very high	33 Å²	33	53.1 Å²	53.1	34%	0.34	29%	0.293	S	S	.	.			trans	164.5	-33.7	172.2	0	0	0	0	0	113.9	R151	G124-R151 VanDerWaalsContact C-NH1 3.3Å; G124-R151 PolarHBondContact O-NH1 3.01Å; G124-R151 PolarHBondContact O-NH2 3.18Å
125	H	98.8	Very high	98.7	Very high	12 Å²	12	49.3 Å²	49.3	6%	0.056	27%	0.265	C	S	.	.			trans	-60.8	144.2	171.3	-78.8	-63.4	0	0	0	111	V129 S143 S145 D147 S149 W153	H125-V129 HydrophobicContact CB-CG2 3.88Å; H125-S143 PolarHBondContact NE2-OG 3.49Å; H125-S145 WeakPolarHBondContact CE1-CB 3.24Å; H125-S145 WeakPolarHBondContact ND1-CB 3.5Å; H125-S145 PolarHBondContact ND1-OG 3.08Å; H125-D147 WeakPolarHBondContact CA-OD2 3.3Å; H125-D147 VanDerWaalsContact CB-OD2 3.24Å; H125-D147 WeakPolarHBondContact CB-OD2 3.33Å; H125-D147 IonicContact CE1-OD1 3.93Å; H125-D147 IonicContact CE1-OD2 3.39Å; H125-D147 IonicContact CG-OD2 2.8Å; H125-D147 IonicContact ND1-OD1 3.53Å; H125-D147 PolarHBondContact ND1-OD1 3.03Å; H125-D147 VanDerWaalsContact ND1-OD1 3.13Å; H125-D147 IonicContact ND1-OD2 3.93Å; H125-D147 PolarHBondContact ND1-OD2 3.13Å; H125-S149 PolarHBondContact CE1-OG 2.56Å; H125-S149 VanDerWaalsContact CE1-OG 3.3Å; H125-S149 PolarHBondContact ND1-OG 3.22Å; H125-W153 AromaticContact CD2-CZ2 3.87Å
126	S	98.8	Very high	98.8	Very high	79 Å²	79	48.5 Å²	48.5	55%	0.552	26%	0.258	S	S	*	.	S	Bend	trans	-98.8	-8.4	-178.7	57	0	0	0	0	112.7	K106 D147	K106-S126 WeakPolarHBondContact CD-O 3.47Å; K106-S126 WeakPolarHBondContact CE-O 3.4Å; K106-S126 PolarHBondContact NZ-O 3.09Å; S126-D147 PolarHBondContact N-OD2 2.87Å; S126-D147 WeakPolarHBondContact OG-CB 3.24Å
127	N	98.9	Very high	98.8	Very high	54 Å²	54	52.6 Å²	52.6	29%	0.289	27%	0.272	S	S	.	.	S	Bend	trans	-138.7	-172.9	176.7	-150.4	-14	0	0	0	111.6	K106 V129 S145 F146 D147	K106-N127 WeakPolarHBondContact CA-O 3.39Å; K106-N127 WeakPolarHBondContact CB-O 3.44Å; N127-V129 PolarHBondContact O-N 3.46Å; N127-S145 PolarHBondContact O-OG 3.12Å; N127-F146 HydrophobicContact CB-CB 3.89Å; N127-F146 PolarHBondContact ND2-O 2.96Å; N127-D147 HydrophobicContact CB-CB 3.97Å
128	Y	98.8	Very high	98.8	Very high	102 Å²	102	46.6 Å²	46.6	40%	0.4	25%	0.248	S	C	.	.			trans	-54.7	125.8	-177.5	-55.1	-22.7	0	0	0	111.6	D104 F130 S145 F146	D104-Y128 HydrophobicContact CB-CD1 3.71Å; D104-Y128 HydrophobicContact CB-CE1 3.99Å; D104-Y128 HydrophobicContact CB-CG 4.07Å; D104-Y128 WeakPolarHBondContact O-CD1 3.15Å; Y128-F130 PolarHBondContact O-N 2.98Å; Y128-S145 CarbonylContact O-C 3.47Å; Y128-S145 VanDerWaalsContact O-CA 3.24Å; Y128-S145 WeakPolarHBondContact O-CA 3.38Å; Y128-S145 WeakPolarHBondContact O-CB 2.99Å; Y128-S145 PolarHBondContact O-OG 2.91Å; Y128-F146 HydrophobicContact CD2-CG 4.42Å; Y128-F146 PolarHBondContact O-N 3.48Å
129	V	98.9	Very high	98.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	118.7	170.6	-164.7	0	0	0	0	107.5	A102 S103 L108 H125 N127 G144	A102-V129 CarbonylContact C-O 3.39Å; A102-V129 HydrophobicContact CB-CB 3.97Å; A102-V129 HydrophobicContact CB-CG1 3.69Å; A102-V129 WeakPolarHBondContact CB-O 3.34Å; S103-V129 PolarHBondContact N-O 2.86Å; S103-V129 PolarHBondContact O-N 2.85Å; S103-V129 VanDerWaalsContact O-N 3.1Å; L108-V129 HydrophobicContact CD1-CB 4.47Å; L108-V129 HydrophobicContact CD1-CG1 3.81Å; L108-V129 HydrophobicContact CD1-CG2 4.11Å; L108-V129 HydrophobicContact CD2-CG1 4.11Å; L108-V129 HydrophobicContact CG-CB 4.46Å; L108-V129 HydrophobicContact CG-CG1 3.85Å; L108-V129 HydrophobicContact CG-CG2 4.49Å; H125-V129 HydrophobicContact CB-CG2 3.88Å; N127-V129 PolarHBondContact O-N 3.46Å; V129-G144 WeakPolarHBondContact CG1-O 3.47Å
130	F	98.9	Very high	98.8	Very high	43 Å²	43	44.8 Å²	44.8	19%	0.189	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	-39.4	-167.7	-169.8	-108.8	0	0	0	112.9	S88 D89 Y128 G144 F146 S172 C258	S88-F130 WeakPolarHBondContact CB-O 3.27Å; D89-F130 WeakPolarHBondContact CB-O 3.36Å; Y128-F130 PolarHBondContact O-N 2.98Å; F130-G144 PolarHBondContact N-O 3.07Å; F130-F146 HydrophobicContact CB-CD2 4.22Å; F130-F146 HydrophobicContact CB-CE2 4.31Å; F130-F146 HydrophobicContact CD2-CD2 4.39Å; F130-F146 AromaticContact CD2-CE2 3.73Å; F130-F146 HydrophobicContact CD2-CE2 3.73Å; F130-F146 HydrophobicContact CE2-CE2 4.29Å; F130-F146 HydrophobicContact CG-CD2 4.49Å; F130-F146 HydrophobicContact CG-CE2 4.09Å; F130-S172 VanDerWaalsContact CD1-O 3.29Å; F130-S172 WeakPolarHBondContact CD1-O 3.38Å; F130-S172 WeakPolarHBondContact CE1-O 3.36Å; F130-C258 HydrophobicContact CE1-CB 3.62Å; F130-C258 HydrophobicContact CZ-CB 3.63Å
131	C	98.9	Very high	98.8	Very high	5 Å²	5	41 Å²	41	3%	0.034	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	150	-174.8	51.7	0	0	0	0	111.4	S143 G144 A173 V174	C131-S143 VanDerWaalsContact O-CA 3.28Å; C131-S143 WeakPolarHBondContact O-CA 3.32Å; C131-G144 PolarHBondContact N-O 2.75Å; C131-G144 PolarHBondContact O-N 3.3Å; C131-G144 VanDerWaalsContact SG-CA 3.56Å; C131-A173 VanDerWaalsContact SG-C 3.59Å; C131-A173 WeakPolarHBondContact SG-CA 3.32Å; C131-V174 HydrophobicContact CB-CG2 4.24Å
132	C	98.9	Very high	98.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	154.2	179.1	63.3	0	0	0	0	113.2	D89 V100 A102 L108 V142	D89-C132 PolarHBondContact OD2-N 3.41Å; D89-C132 VanDerWaalsContact OD2-N 3.15Å; V100-C132 HydrophobicContact CG1-CB 4.28Å; A102-C132 HydrophobicContact CB-CB 4.07Å; L108-C132 HydrophobicContact CD2-CB 3.54Å; C132-V142 CarbonylContact C-O 3.55Å; C132-V142 VanDerWaalsContact CA-O 3.26Å; C132-V142 WeakPolarHBondContact CA-O 3.32Å
133	N	98.9	Very high	98.8	Very high	35 Å²	35	38.5 Å²	38.5	19%	0.187	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	150.7	173.9	-141.2	-51.8	0	0	0	112.2	I141 V142 H175	N133-I141 CarbonylContact O-C 3.58Å; N133-I141 VanDerWaalsContact O-CA 3.31Å; N133-I141 WeakPolarHBondContact O-CA 3.4Å; N133-V142 HydrophobicContact CB-CG1 3.95Å; N133-V142 PolarHBondContact N-O 2.94Å; N133-V142 PolarHBondContact O-N 3.4Å; N133-H175 PolarHBondContact ND2-CD2 3.07Å; N133-H175 VanDerWaalsContact ND2-CD2 3.29Å
134	F	98.9	Very high	98.8	Very high	8 Å²	8	31 Å²	31	4%	0.035	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	152.2	165.2	-78.6	-87.5	0	0	0	110.1	W92 L98 V100 L140 I141 V155 F176	W92-F134 VanDerWaalsContact C-CD2 3.42Å; W92-F134 WeakPolarHBondContact O-CD2 3.48Å; L98-F134 HydrophobicContact CB-CZ 4.09Å; V100-F134 HydrophobicContact CB-CD2 4.38Å; V100-F134 HydrophobicContact CB-CE2 3.66Å; V100-F134 HydrophobicContact CB-CZ 4.03Å; V100-F134 HydrophobicContact CG1-CD2 3.7Å; V100-F134 HydrophobicContact CG1-CE2 3.46Å; V100-F134 VanDerWaalsContact CG1-CE2 3.46Å; V100-F134 HydrophobicContact CG1-CZ 4.24Å; F134-L140 WeakPolarHBondContact CA-O 3.21Å; F134-I141 HydrophobicContact CD1-CD1 4.27Å; F134-I141 HydrophobicContact CD1-CG1 3.63Å; F134-I141 HydrophobicContact CE1-CD1 3.68Å; F134-I141 HydrophobicContact CE1-CG1 3.57Å; F134-I141 HydrophobicContact CE2-CG1 4.47Å; F134-I141 HydrophobicContact CG-CG1 4.13Å; F134-I141 HydrophobicContact CZ-CD1 3.85Å; F134-I141 HydrophobicContact CZ-CG1 4.02Å; F134-V155 HydrophobicContact CD1-CG2 3.94Å; F134-V155 HydrophobicContact CE1-CG1 4.16Å; F134-V155 HydrophobicContact CE1-CG2 3.59Å; F134-F176 VanDerWaalsContact C-CD2 3.5Å; F134-F176 WeakPolarHBondContact O-CD2 3.25Å
135	N	98.9	Very high	98.9	Very high	7 Å²	7	29.4 Å²	29.4	4%	0.037	15%	0.154	C	C	.	.			trans	-75.2	165.4	161.9	75.5	-33.9	0	0	0	110.7	Q137 S138 N139 L140 F176	N135-Q137 PolarHBondContact ND2-OE1 2.91Å; N135-Q137 PolarHBondContact O-N 3.33Å; N135-S138 WeakPolarHBondContact O-CA 3.48Å; N135-S138 PolarHBondContact O-N 2.95Å; N135-S138 WeakPolarHBondContact OD1-CA 3.25Å; N135-S138 PolarHBondContact OD1-N 3.35Å; N135-N139 PolarHBondContact ND2-OD1 3.18Å; N135-N139 PolarHBondContact OD1-N 2.76Å; N135-N139 PolarHBondContact OD1-OD1 3.41Å; N135-L140 HydrophobicContact CB-CB 4.23Å; N135-L140 PolarHBondContact N-O 2.97Å; N135-L140 PolarHBondContact OD1-N 2.87Å; N135-L140 PolarHBondContact OD1-O 2.79Å; N135-F176 VanDerWaalsContact CA-CD2 3.43Å; N135-F176 HydrophobicContact CB-CB 4.48Å; N135-F176 HydrophobicContact CB-CD1 3.85Å; N135-F176 HydrophobicContact CB-CD2 3.69Å; N135-F176 HydrophobicContact CB-CE1 3.88Å; N135-F176 HydrophobicContact CB-CE2 3.7Å; N135-F176 HydrophobicContact CB-CG 3.75Å; N135-F176 HydrophobicContact CB-CZ 3.81Å
136	P	98.6	Very high	98.9	Very high	46 Å²	46	31.9 Å²	31.9	30%	0.299	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-32.1	-178.5	-26.4	35.4	0	0	0	114.5	S94 S138 N177 R178	S94-P136 VanDerWaalsContact CB-O 3.27Å; S94-P136 WeakPolarHBondContact CB-O 3.2Å; S94-P136 PolarHBondContact OG-O 3.22Å; P136-S138 VanDerWaalsContact C-N 3.25Å; P136-S138 PolarHBondContact O-N 3.22Å; P136-N177 WeakPolarHBondContact CG-O 3.47Å; P136-R178 WeakPolarHBondContact CG-O 3.47Å
137	Q	98.6	Very high	98.9	Very high	109 Å²	109	29.4 Å²	29.4	51%	0.509	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-5.2	176.5	-59	77.8	23	0	0	113.1	N135 N139 D179	N135-Q137 PolarHBondContact ND2-OE1 2.91Å; N135-Q137 PolarHBondContact O-N 3.33Å; Q137-N139 WeakPolarHBondContact CB-OD1 3.33Å; Q137-N139 PolarHBondContact O-N 2.84Å; Q137-D179 PolarHBondContact NE2-O 3.46Å; Q137-D179 PolarHBondContact OE1-O 3.37Å
138	S	98.7	Very high	98.9	Very high	17 Å²	17	30.9 Å²	30.9	12%	0.119	15%	0.151	C	C	.	.	S	Bend	trans	53.5	21.3	-178	-56.8	0	0	0	0	115.5	S93 S94 N135 P136 V155	S93-S138 WeakPolarHBondContact CA-OG 3.35Å; S93-S138 WeakPolarHBondContact CB-OG 3.41Å; S94-S138 PolarHBondContact N-OG 2.98Å; S94-S138 PolarHBondContact OG-OG 3.49Å; N135-S138 WeakPolarHBondContact O-CA 3.48Å; N135-S138 PolarHBondContact O-N 2.95Å; N135-S138 WeakPolarHBondContact OD1-CA 3.25Å; N135-S138 PolarHBondContact OD1-N 3.35Å; P136-S138 VanDerWaalsContact C-N 3.25Å; P136-S138 PolarHBondContact O-N 3.22Å; S138-V155 WeakPolarHBondContact O-CG2 3.42Å
139	N	98.8	Very high	98.9	Very high	77 Å²	77	26.6 Å²	26.6	41%	0.412	14%	0.136	S	C	.	.	S	Bend	trans	-95.6	-16	175.2	71	-51.7	0	0	0	112.4	N135 Q137 V155	N135-N139 PolarHBondContact ND2-OD1 3.18Å; N135-N139 PolarHBondContact OD1-N 2.76Å; N135-N139 PolarHBondContact OD1-OD1 3.41Å; Q137-N139 WeakPolarHBondContact CB-OD1 3.33Å; Q137-N139 PolarHBondContact O-N 2.84Å; N139-V155 VanDerWaalsContact C-CG2 3.43Å; N139-V155 WeakPolarHBondContact O-CB 3.41Å; N139-V155 WeakPolarHBondContact O-CG2 3.31Å; N139-V155 PolarHBondContact O-N 2.8Å
140	L	98.9	Very high	98.9	Very high	23 Å²	23	26.6 Å²	26.6	12%	0.12	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	147	176	-59.4	177.9	0	0	0	111.4	F134 N135 I152 W153 L161 F176 T197	F134-L140 WeakPolarHBondContact CA-O 3.21Å; N135-L140 HydrophobicContact CB-CB 4.23Å; N135-L140 PolarHBondContact N-O 2.97Å; N135-L140 PolarHBondContact OD1-N 2.87Å; N135-L140 PolarHBondContact OD1-O 2.79Å; L140-I152 HydrophobicContact CB-CG2 4.43Å; L140-I152 HydrophobicContact CD1-CG2 4.23Å; L140-I152 HydrophobicContact CD2-CG2 4.28Å; L140-W153 VanDerWaalsContact CA-O 3.27Å; L140-W153 WeakPolarHBondContact CA-O 3.45Å; L140-L161 HydrophobicContact CD2-CD1 3.61Å; L140-F176 HydrophobicContact CB-CZ 4.22Å; L140-T197 HydrophobicContact CD1-CG2 3.73Å
141	I	98.9	Very high	98.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	141.4	164.3	-73.2	157	0	0	0	108	V100 L108 I110 L122 N133 F134 I152 W153 V155	V100-I141 HydrophobicContact CB-CD1 3.93Å; V100-I141 HydrophobicContact CB-CG1 4.37Å; V100-I141 HydrophobicContact CG1-CD1 4.47Å; V100-I141 HydrophobicContact CG1-CG1 4.38Å; V100-I141 HydrophobicContact CG2-CD1 3.8Å; V100-I141 HydrophobicContact CG2-CG1 4.37Å; V100-I141 HydrophobicContact CG2-CG2 4.07Å; L108-I141 HydrophobicContact CD2-CG2 4.2Å; I110-I141 HydrophobicContact CD1-CD1 3.49Å; I110-I141 VanDerWaalsContact CD1-CD1 3.49Å; I110-I141 HydrophobicContact CG1-CD1 3.66Å; L122-I141 HydrophobicContact CD1-CD1 4.01Å; L122-I141 HydrophobicContact CD1-CG2 4.4Å; N133-I141 CarbonylContact O-C 3.58Å; N133-I141 VanDerWaalsContact O-CA 3.31Å; N133-I141 WeakPolarHBondContact O-CA 3.4Å; F134-I141 HydrophobicContact CD1-CD1 4.27Å; F134-I141 HydrophobicContact CD1-CG1 3.63Å; F134-I141 HydrophobicContact CE1-CD1 3.68Å; F134-I141 HydrophobicContact CE1-CG1 3.57Å; F134-I141 HydrophobicContact CE2-CG1 4.47Å; F134-I141 HydrophobicContact CG-CG1 4.13Å; F134-I141 HydrophobicContact CZ-CD1 3.85Å; F134-I141 HydrophobicContact CZ-CG1 4.02Å; I141-I152 CarbonylContact O-C 3.6Å; I141-I152 WeakPolarHBondContact O-CA 3.24Å; I141-W153 HydrophobicContact CB-CB 4.26Å; I141-W153 PolarHBondContact N-O 3.18Å; I141-W153 PolarHBondContact O-N 2.88Å; I141-V155 HydrophobicContact CD1-CG2 3.78Å; I141-V155 HydrophobicContact CG1-CG2 3.77Å
142	V	99	Very high	98.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	143.7	165.6	65.2	0	0	0	0	109.5	C132 N133 V150 R151 V174 F176 I183	C132-V142 CarbonylContact C-O 3.55Å; C132-V142 VanDerWaalsContact CA-O 3.26Å; C132-V142 WeakPolarHBondContact CA-O 3.32Å; N133-V142 HydrophobicContact CB-CG1 3.95Å; N133-V142 PolarHBondContact N-O 2.94Å; N133-V142 PolarHBondContact O-N 3.4Å; V142-V150 HydrophobicContact CG2-CG1 3.56Å; V142-R151 CarbonylContact C-O 3.43Å; V142-R151 VanDerWaalsContact CA-O 3.3Å; V142-R151 WeakPolarHBondContact CA-O 3.45Å; V142-V174 HydrophobicContact CB-CG2 4.47Å; V142-V174 HydrophobicContact CG1-CB 4Å; V142-V174 HydrophobicContact CG1-CG2 3.78Å; V142-V174 HydrophobicContact CG2-CB 3.98Å; V142-V174 HydrophobicContact CG2-CG1 4.24Å; V142-V174 HydrophobicContact CG2-CG2 4.18Å; V142-F176 HydrophobicContact CB-CD2 4.32Å; V142-F176 HydrophobicContact CB-CE2 3.53Å; V142-F176 HydrophobicContact CB-CZ 3.83Å; V142-F176 HydrophobicContact CG1-CD2 3.65Å; V142-F176 HydrophobicContact CG1-CE2 3.34Å; V142-F176 HydrophobicContact CG1-CZ 4.09Å; V142-I183 HydrophobicContact CB-CD1 4.32Å; V142-I183 HydrophobicContact CG2-CD1 3.95Å; V142-I183 HydrophobicContact CG2-CG1 4.38Å; V142-I183 HydrophobicContact CG2-CG2 3.96Å
143	S	98.9	Very high	98.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	147.2	174.8	63.5	0	0	0	0	112.4	H125 C131 V150 R151 W153	H125-S143 PolarHBondContact NE2-OG 3.49Å; C131-S143 VanDerWaalsContact O-CA 3.28Å; C131-S143 WeakPolarHBondContact O-CA 3.32Å; S143-V150 CarbonylContact O-C 3.42Å; S143-V150 VanDerWaalsContact O-CA 3.25Å; S143-V150 WeakPolarHBondContact O-CA 3.34Å; S143-R151 PolarHBondContact N-O 2.67Å; S143-R151 PolarHBondContact O-N 3.13Å; S143-W153 PolarHBondContact OG-NE1 2.69Å
144	G	98.9	Very high	98.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	150.1	170	0	0	0	0	0	110.9	V129 F130 C131	V129-G144 WeakPolarHBondContact CG1-O 3.47Å; F130-G144 PolarHBondContact N-O 3.07Å; C131-G144 PolarHBondContact N-O 2.75Å; C131-G144 PolarHBondContact O-N 3.3Å; C131-G144 VanDerWaalsContact SG-CA 3.56Å
145	S	98.9	Very high	98.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	162.6	-169.5	170.3	0	0	0	0	112.7	H125 N127 Y128 D147 E148 S149 V171	H125-S145 WeakPolarHBondContact CE1-CB 3.24Å; H125-S145 WeakPolarHBondContact ND1-CB 3.5Å; H125-S145 PolarHBondContact ND1-OG 3.08Å; N127-S145 PolarHBondContact O-OG 3.12Å; Y128-S145 CarbonylContact O-C 3.47Å; Y128-S145 VanDerWaalsContact O-CA 3.24Å; Y128-S145 WeakPolarHBondContact O-CA 3.38Å; Y128-S145 WeakPolarHBondContact O-CB 2.99Å; Y128-S145 PolarHBondContact O-OG 2.91Å; S145-D147 WeakPolarHBondContact CB-OD1 3.41Å; S145-D147 PolarHBondContact O-N 2.85Å; S145-D147 PolarHBondContact OG-N 2.72Å; S145-D147 VanDerWaalsContact OG-N 3.08Å; S145-D147 PolarHBondContact OG-OD1 3.31Å; S145-D147 PolarHBondContact OG-OD2 2.55Å; S145-D147 VanDerWaalsContact OG-OD2 3.1Å; S145-E148 PolarHBondContact O-N 3.29Å; S145-E148 VanDerWaalsContact O-N 3.13Å; S145-S149 PolarHBondContact N-O 2.9Å; S145-V171 PolarHBondContact O-N 2.97Å
146	F	98.9	Very high	98.8	Very high	64 Å²	64	35 Å²	35	28%	0.281	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-2.3	166.6	-90.6	-109.6	0	0	0	113.8	N127 Y128 F130 P170	N127-F146 HydrophobicContact CB-CB 3.89Å; N127-F146 PolarHBondContact ND2-O 2.96Å; Y128-F146 HydrophobicContact CD2-CG 4.42Å; Y128-F146 PolarHBondContact O-N 3.48Å; F130-F146 HydrophobicContact CB-CD2 4.22Å; F130-F146 HydrophobicContact CB-CE2 4.31Å; F130-F146 HydrophobicContact CD2-CD2 4.39Å; F130-F146 AromaticContact CD2-CE2 3.73Å; F130-F146 HydrophobicContact CD2-CE2 3.73Å; F130-F146 HydrophobicContact CE2-CE2 4.29Å; F130-F146 HydrophobicContact CG-CD2 4.49Å; F130-F146 HydrophobicContact CG-CE2 4.09Å; F146-P170 HydrophobicContact CB-CB 4.43Å; F146-P170 HydrophobicContact CD1-CB 3.85Å; F146-P170 HydrophobicContact CD1-CG 3.56Å; F146-P170 HydrophobicContact CD2-CB 4Å; F146-P170 HydrophobicContact CE1-CB 4.02Å; F146-P170 HydrophobicContact CE1-CG 3.8Å; F146-P170 HydrophobicContact CE2-CB 4.15Å; F146-P170 HydrophobicContact CG-CB 3.84Å; F146-P170 HydrophobicContact CG-CG 4.01Å; F146-P170 HydrophobicContact CZ-CB 4.17Å; F146-P170 HydrophobicContact CZ-CG 4.42Å
147	D	98.8	Very high	98.8	Very high	28 Å²	28	36.2 Å²	36.2	15%	0.15	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	14.8	167.2	66.2	25.8	0	0	0	113.1	H125 S126 N127 S145 S149	H125-D147 WeakPolarHBondContact CA-OD2 3.3Å; H125-D147 VanDerWaalsContact CB-OD2 3.24Å; H125-D147 WeakPolarHBondContact CB-OD2 3.33Å; H125-D147 IonicContact CE1-OD1 3.93Å; H125-D147 IonicContact CE1-OD2 3.39Å; H125-D147 IonicContact CG-OD2 2.8Å; H125-D147 IonicContact ND1-OD1 3.53Å; H125-D147 PolarHBondContact ND1-OD1 3.03Å; H125-D147 VanDerWaalsContact ND1-OD1 3.13Å; H125-D147 IonicContact ND1-OD2 3.93Å; H125-D147 PolarHBondContact ND1-OD2 3.13Å; S126-D147 PolarHBondContact N-OD2 2.87Å; S126-D147 WeakPolarHBondContact OG-CB 3.24Å; N127-D147 HydrophobicContact CB-CB 3.97Å; S145-D147 WeakPolarHBondContact CB-OD1 3.41Å; S145-D147 PolarHBondContact O-N 2.85Å; S145-D147 PolarHBondContact OG-N 2.72Å; S145-D147 VanDerWaalsContact OG-N 3.08Å; S145-D147 PolarHBondContact OG-OD1 3.31Å; S145-D147 PolarHBondContact OG-OD2 2.55Å; S145-D147 VanDerWaalsContact OG-OD2 3.1Å; D147-S149 PolarHBondContact O-N 3.49Å; D147-S149 VanDerWaalsContact OD1-CB 3.32Å; D147-S149 WeakPolarHBondContact OD1-CB 3.29Å; D147-S149 PolarHBondContact OD1-N 3.34Å; D147-S149 VanDerWaalsContact OD1-N 3.12Å; D147-S149 PolarHBondContact OD1-OG 2.84Å
148	E	98.9	Very high	98.8	Very high	84 Å²	84	31.8 Å²	31.8	39%	0.393	16%	0.162	S	C	.	.	S	Bend	trans	67.2	0.9	173.5	-48	164.9	-156	0	0	113.7	S145 H167	S145-E148 PolarHBondContact O-N 3.29Å; S145-E148 VanDerWaalsContact O-N 3.13Å; E148-H167 PolarHBondContact O-N 3Å; E148-H167 VanDerWaalsContact O-N 3.11Å
149	S	98.9	Very high	98.8	Very high	12 Å²	12	37.9 Å²	37.9	8%	0.084	19%	0.186	C	C	.	.			trans	-97.4	150.4	-179	78.8	0	0	0	0	113.1	H125 S145 D147 L164	H125-S149 PolarHBondContact CE1-OG 2.56Å; H125-S149 VanDerWaalsContact CE1-OG 3.3Å; H125-S149 PolarHBondContact ND1-OG 3.22Å; S145-S149 PolarHBondContact N-O 2.9Å; D147-S149 PolarHBondContact O-N 3.49Å; D147-S149 VanDerWaalsContact OD1-CB 3.32Å; D147-S149 WeakPolarHBondContact OD1-CB 3.29Å; D147-S149 PolarHBondContact OD1-N 3.34Å; D147-S149 VanDerWaalsContact OD1-N 3.12Å; D147-S149 PolarHBondContact OD1-OG 2.84Å; S149-L164 WeakPolarHBondContact CA-O 3.26Å
150	V	98.9	Very high	98.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	134.6	163.1	171.2	0	0	0	0	108.4	V142 S143 L164 A166 V171 V174	V142-V150 HydrophobicContact CG2-CG1 3.56Å; S143-V150 CarbonylContact O-C 3.42Å; S143-V150 VanDerWaalsContact O-CA 3.25Å; S143-V150 WeakPolarHBondContact O-CA 3.34Å; V150-L164 HydrophobicContact CB-CB 4.26Å; V150-L164 HydrophobicContact CB-CD1 4.29Å; V150-L164 HydrophobicContact CB-CG 4.49Å; V150-L164 HydrophobicContact CG1-CD1 4.08Å; V150-L164 PolarHBondContact N-O 3.06Å; V150-L164 VanDerWaalsContact N-O 3.15Å; V150-L164 PolarHBondContact O-N 3.11Å; V150-A166 HydrophobicContact CB-CB 3.79Å; V150-A166 HydrophobicContact CG2-CB 3.48Å; V150-A166 VanDerWaalsContact CG2-CB 3.48Å; V150-V171 HydrophobicContact CG2-CG1 3.95Å; V150-V171 HydrophobicContact CG2-CG2 4.24Å; V150-V174 HydrophobicContact CG1-CG1 4.23Å; V150-V174 HydrophobicContact CG2-CG1 3.85Å
151	R	98.9	Very high	98.8	Very high	40 Å²	40	39.8 Å²	39.8	15%	0.151	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	145	177.2	-69.9	-179.5	-178.2	-126.4	3.8	111.8	G124 V142 S143 W153 K162 T163	G124-R151 VanDerWaalsContact C-NH1 3.3Å; G124-R151 PolarHBondContact O-NH1 3.01Å; G124-R151 PolarHBondContact O-NH2 3.18Å; V142-R151 CarbonylContact C-O 3.43Å; V142-R151 VanDerWaalsContact CA-O 3.3Å; V142-R151 WeakPolarHBondContact CA-O 3.45Å; S143-R151 PolarHBondContact N-O 2.67Å; S143-R151 PolarHBondContact O-N 3.13Å; R151-W153 HydrophobicContact CB-CZ2 3.65Å; R151-W153 HydrophobicContact CG-CZ2 4.16Å; R151-K162 WeakPolarHBondContact CA-O 3.45Å; R151-T163 HydrophobicContact CG-CG2 4.09Å
152	I	98.9	Very high	98.8	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	129.4	175.1	-53	175.9	0	0	0	107.9	L140 I141 L161 K162 I183 T197	L140-I152 HydrophobicContact CB-CG2 4.43Å; L140-I152 HydrophobicContact CD1-CG2 4.23Å; L140-I152 HydrophobicContact CD2-CG2 4.28Å; I141-I152 CarbonylContact O-C 3.6Å; I141-I152 WeakPolarHBondContact O-CA 3.24Å; I152-L161 PolarHBondContact O-N 3.38Å; I152-K162 HydrophobicContact CB-CB 4.33Å; I152-K162 HydrophobicContact CD1-CB 4.42Å; I152-K162 HydrophobicContact CD1-CD 4.38Å; I152-K162 PolarHBondContact N-O 3.29Å; I152-K162 PolarHBondContact O-N 3.38Å; I152-I183 HydrophobicContact CD1-CD1 3.48Å; I152-I183 VanDerWaalsContact CD1-CD1 3.48Å; I152-I183 HydrophobicContact CG1-CD1 3.82Å; I152-T197 HydrophobicContact CD1-CG2 4.46Å
153	W	98.9	Very high	98.8	Very high	1 Å²	1	46 Å²	46	0%	0.004	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	142.2	-171.6	-46.9	83.4	0	0	0	110.6	L108 L122 K123 H125 L140 I141 S143 R151 K159 C160	L108-W153 HydrophobicContact CD1-CZ2 3.96Å; L122-W153 HydrophobicContact CB-CD2 4.06Å; L122-W153 HydrophobicContact CB-CE3 3.75Å; L122-W153 HydrophobicContact CB-CH2 4.31Å; L122-W153 HydrophobicContact CB-CZ3 3.89Å; L122-W153 HydrophobicContact CD1-CB 3.87Å; L122-W153 HydrophobicContact CD1-CD2 3.99Å; L122-W153 HydrophobicContact CD1-CE3 4.33Å; L122-W153 HydrophobicContact CD1-CG 3.78Å; L122-W153 HydrophobicContact CG-CE3 4.43Å; K123-W153 WeakPolarHBondContact O-CZ3 3.35Å; H125-W153 AromaticContact CD2-CZ2 3.87Å; L140-W153 VanDerWaalsContact CA-O 3.27Å; L140-W153 WeakPolarHBondContact CA-O 3.45Å; I141-W153 HydrophobicContact CB-CB 4.26Å; I141-W153 PolarHBondContact N-O 3.18Å; I141-W153 PolarHBondContact O-N 2.88Å; S143-W153 PolarHBondContact OG-NE1 2.69Å; R151-W153 HydrophobicContact CB-CZ2 3.65Å; R151-W153 HydrophobicContact CG-CZ2 4.16Å; W153-K159 WeakPolarHBondContact CA-O 3.27Å; W153-C160 HydrophobicContact CD2-CB 4.36Å; W153-C160 HydrophobicContact CE3-CB 3.62Å; W153-C160 HydrophobicContact CH2-CB 4.17Å; W153-C160 HydrophobicContact CZ3-CB 3.51Å
154	D	98.9	Very high	98.8	Very high	35 Å²	35	46.4 Å²	46.4	19%	0.187	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	124.2	168.3	174.8	-96.6	0	0	0	109.9	K156 T157 G158 K159 L161	D154-K156 PolarHBondContact OD1-N 3.03Å; D154-T157 WeakPolarHBondContact CB-OG1 3.29Å; D154-T157 WeakPolarHBondContact OD1-CA 3.42Å; D154-T157 WeakPolarHBondContact OD1-CB 3.47Å; D154-T157 VanDerWaalsContact OD1-CG2 3.24Å; D154-T157 WeakPolarHBondContact OD1-CG2 3.43Å; D154-T157 PolarHBondContact OD1-N 2.83Å; D154-T157 PolarHBondContact OD1-OG1 3.24Å; D154-G158 WeakPolarHBondContact O-CA 3.24Å; D154-G158 PolarHBondContact O-N 3.21Å; D154-K159 PolarHBondContact N-O 2.86Å; D154-L161 HydrophobicContact CB-CD1 4.03Å; D154-L161 HydrophobicContact CB-CD2 3.98Å; D154-L161 HydrophobicContact CB-CG 3.98Å
155	V	98.8	Very high	98.7	Very high	17 Å²	17	52 Å²	52	10%	0.103	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-42.2	-174.6	169	0	0	0	0	111.8	L98 I110 F134 S138 N139 I141	L98-V155 HydrophobicContact CD1-CG1 4.18Å; I110-V155 HydrophobicContact CD1-CB 4.45Å; I110-V155 HydrophobicContact CD1-CG1 4.16Å; F134-V155 HydrophobicContact CD1-CG2 3.94Å; F134-V155 HydrophobicContact CE1-CG1 4.16Å; F134-V155 HydrophobicContact CE1-CG2 3.59Å; S138-V155 WeakPolarHBondContact O-CG2 3.42Å; N139-V155 VanDerWaalsContact C-CG2 3.43Å; N139-V155 WeakPolarHBondContact O-CB 3.41Å; N139-V155 WeakPolarHBondContact O-CG2 3.31Å; N139-V155 PolarHBondContact O-N 2.8Å; I141-V155 HydrophobicContact CD1-CG2 3.78Å; I141-V155 HydrophobicContact CG1-CG2 3.77Å
156	K	98.5	Very high	98.7	Very high	180 Å²	180	52 Å²	52	78%	0.783	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-45.5	-173.1	-174.4	175.1	-177.4	176.2	0	112	K120 D154	K120-K156 VanDerWaalsContact CE-O 3.23Å; K120-K156 WeakPolarHBondContact CE-O 3.3Å; K120-K156 PolarHBondContact NZ-O 3.3Å; D154-K156 PolarHBondContact OD1-N 3.03Å
157	T	98.6	Very high	98.7	Very high	72 Å²	72	49.7 Å²	49.7	44%	0.442	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-28.9	-178	65.2	0	0	0	0	112	D154 K159	D154-T157 WeakPolarHBondContact CB-OG1 3.29Å; D154-T157 WeakPolarHBondContact OD1-CA 3.42Å; D154-T157 WeakPolarHBondContact OD1-CB 3.47Å; D154-T157 VanDerWaalsContact OD1-CG2 3.24Å; D154-T157 WeakPolarHBondContact OD1-CG2 3.43Å; D154-T157 PolarHBondContact OD1-N 2.83Å; D154-T157 PolarHBondContact OD1-OG1 3.24Å; T157-K159 VanDerWaalsContact C-N 3.3Å; T157-K159 PolarHBondContact OG1-N 3.11Å
158	G	98.6	Very high	98.6	Very high	15 Å²	15	52 Å²	52	16%	0.155	28%	0.279	C	S	.	.			trans	75.3	17.1	-172	0	0	0	0	0	113.6	L122 D154	L122-G158 WeakPolarHBondContact CD2-O 3.18Å; D154-G158 WeakPolarHBondContact O-CA 3.24Å; D154-G158 PolarHBondContact O-N 3.21Å
159	K	98.6	Very high	98.6	Very high	145 Å²	145	51.3 Å²	51.3	63%	0.63	28%	0.278	S	S	*	.			trans	-91	145.9	-179.2	-67.8	-174.6	176.9	-176.9	0	111.5	W153 D154 T157 L161	W153-K159 WeakPolarHBondContact CA-O 3.27Å; D154-K159 PolarHBondContact N-O 2.86Å; T157-K159 VanDerWaalsContact C-N 3.3Å; T157-K159 PolarHBondContact OG1-N 3.11Å; K159-L161 PolarHBondContact O-N 3.41Å
160	C	98.8	Very high	98.6	Very high	46 Å²	46	51.7 Å²	51.7	31%	0.311	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	119.6	168.6	-164.8	0	0	0	0	108.8	W153 K162	W153-C160 HydrophobicContact CD2-CB 4.36Å; W153-C160 HydrophobicContact CE3-CB 3.62Å; W153-C160 HydrophobicContact CH2-CB 4.17Å; W153-C160 HydrophobicContact CZ3-CB 3.51Å; C160-K162 PolarHBondContact SG-O 2.91Å; C160-K162 VanDerWaalsContact SG-O 3.38Å
161	L	98.8	Very high	98.6	Very high	94 Å²	94	51.7 Å²	51.7	49%	0.492	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-40.3	175.9	-61.7	-177.7	0	0	0	111.6	L140 I152 D154 K159	L140-L161 HydrophobicContact CD2-CD1 3.61Å; I152-L161 PolarHBondContact O-N 3.38Å; D154-L161 HydrophobicContact CB-CD1 4.03Å; D154-L161 HydrophobicContact CB-CD2 3.98Å; D154-L161 HydrophobicContact CB-CG 3.98Å; K159-L161 PolarHBondContact O-N 3.41Å
162	K	98.8	Very high	98.6	Very high	59 Å²	59	50 Å²	50	26%	0.257	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	146.4	-178.4	-62.2	-168.4	178.4	75.5	0	111.3	R151 I152 C160 L164 T197 A198 S199	R151-K162 WeakPolarHBondContact CA-O 3.45Å; I152-K162 HydrophobicContact CB-CB 4.33Å; I152-K162 HydrophobicContact CD1-CB 4.42Å; I152-K162 HydrophobicContact CD1-CD 4.38Å; I152-K162 PolarHBondContact N-O 3.29Å; I152-K162 PolarHBondContact O-N 3.38Å; C160-K162 PolarHBondContact SG-O 2.91Å; C160-K162 VanDerWaalsContact SG-O 3.38Å; K162-L164 HydrophobicContact CB-CD2 4.12Å; K162-L164 HydrophobicContact CD-CD2 4.49Å; K162-T197 PolarHBondContact NZ-O 3.01Å; K162-A198 WeakPolarHBondContact CE-O 3.46Å; K162-A198 PolarHBondContact NZ-O 2.74Å; K162-S199 WeakPolarHBondContact CE-O 3.35Å
163	T	98.8	Very high	98.6	Very high	73 Å²	73	50.1 Å²	50.1	45%	0.448	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	119.2	166.9	-55.8	0	0	0	0	107.2	R151	R151-T163 HydrophobicContact CG-CG2 4.09Å
164	L	98.6	Very high	98.6	Very high	8 Å²	8	50.4 Å²	50.4	4%	0.042	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	125.6	-178.6	-45.5	-176.8	0	0	0	107.9	S149 V150 K162 A166 W195 G200	S149-L164 WeakPolarHBondContact CA-O 3.26Å; V150-L164 HydrophobicContact CB-CB 4.26Å; V150-L164 HydrophobicContact CB-CD1 4.29Å; V150-L164 HydrophobicContact CB-CG 4.49Å; V150-L164 HydrophobicContact CG1-CD1 4.08Å; V150-L164 PolarHBondContact N-O 3.06Å; V150-L164 VanDerWaalsContact N-O 3.15Å; V150-L164 PolarHBondContact O-N 3.11Å; K162-L164 HydrophobicContact CB-CD2 4.12Å; K162-L164 HydrophobicContact CD-CD2 4.49Å; L164-A166 HydrophobicContact CB-CB 4.33Å; L164-A166 PolarHBondContact O-N 3.49Å; L164-W195 HydrophobicContact CB-CE3 4.48Å; L164-W195 HydrophobicContact CB-CZ3 4.32Å; L164-W195 HydrophobicContact CD1-CB 4.26Å; L164-W195 HydrophobicContact CD1-CD2 3.84Å; L164-W195 HydrophobicContact CD1-CE3 3.83Å; L164-W195 HydrophobicContact CD1-CG 4.03Å; L164-W195 HydrophobicContact CD1-CZ3 4.49Å; L164-G200 WeakPolarHBondContact CD2-O 3.34Å
165	P	97.8	Very high	98.6	Very high	117 Å²	117	50.6 Å²	50.6	76%	0.76	28%	0.277	S	S	*	.			trans	-71.8	76.2	168.8	30.7	-33.1	0	0	0	108.4
166	A	97.4	Very high	98.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.274	C	S	.	.			trans	-82.3	-37.6	-156.2	0	0	0	0	0	112.8	V150 L164 R193 W195	V150-A166 HydrophobicContact CB-CB 3.79Å; V150-A166 HydrophobicContact CG2-CB 3.48Å; V150-A166 VanDerWaalsContact CG2-CB 3.48Å; L164-A166 HydrophobicContact CB-CB 4.33Å; L164-A166 PolarHBondContact O-N 3.49Å; A166-R193 WeakPolarHBondContact O-CD 3.39Å; A166-R193 PolarHBondContact O-NE 3.35Å; A166-R193 PolarHBondContact O-NH1 2.76Å; A166-W195 HydrophobicContact CB-CH2 4.1Å; A166-W195 HydrophobicContact CB-CZ2 3.63Å
167	H	98.7	Very high	98.6	Very high	15 Å²	15	42.1 Å²	42.1	7%	0.069	24%	0.24	C	C	.	.			trans	-145.3	174.6	-172.5	-72.1	-78.3	0	0	0	110.4	E148 D169 V171 S185 S187 D189 L191	E148-H167 PolarHBondContact O-N 3Å; E148-H167 VanDerWaalsContact O-N 3.11Å; H167-D169 WeakPolarHBondContact CB-O 3.44Å; H167-V171 HydrophobicContact CB-CG2 4.37Å; H167-S185 WeakPolarHBondContact NE2-CB 3.36Å; H167-S185 PolarHBondContact NE2-OG 2.86Å; H167-S187 WeakPolarHBondContact ND1-CB 3.4Å; H167-D189 WeakPolarHBondContact CA-OD2 3.16Å; H167-D189 VanDerWaalsContact CB-OD2 3.24Å; H167-D189 WeakPolarHBondContact CB-OD2 3.5Å; H167-D189 IonicContact CE1-OD1 3.63Å; H167-D189 IonicContact CG-OD2 2.68Å; H167-D189 IonicContact ND1-OD1 2.56Å; H167-D189 PolarHBondContact ND1-OD1 2.88Å; H167-D189 IonicContact ND1-OD2 2.74Å; H167-D189 PolarHBondContact ND1-OD2 2.87Å; H167-L191 PolarHBondContact CE1-O 3.2Å
168	S	98.4	Very high	98.6	Very high	76 Å²	76	47.8 Å²	47.8	53%	0.531	25%	0.253	S	S	.	.	S	Bend	trans	-110.4	8.4	173.7	57.7	0	0	0	0	113.7	D189	S168-D189 PolarHBondContact N-OD2 2.94Å; S168-D189 WeakPolarHBondContact OG-CB 3.39Å
169	D	98.7	Very high	98.6	Very high	71 Å²	71	51.5 Å²	51.5	38%	0.38	27%	0.269	S	S	.	.	S	Bend	trans	-149.5	166.7	177	-84.7	-53.8	0	0	0	108.7	H167 V171 S187 D189	H167-D169 WeakPolarHBondContact CB-O 3.44Å; D169-V171 PolarHBondContact O-N 3.23Å; D169-S187 PolarHBondContact O-OG 3.42Å; D169-D189 HydrophobicContact CB-CB 3.99Å
170	P	98.8	Very high	98.6	Very high	19 Å²	19	45 Å²	45	12%	0.123	24%	0.243	C	C	.	.			trans	-49.7	134	-176.2	-30.5	35.8	0	0	0	114.3	F146 S172 S187 Y188	F146-P170 HydrophobicContact CB-CB 4.43Å; F146-P170 HydrophobicContact CD1-CB 3.85Å; F146-P170 HydrophobicContact CD1-CG 3.56Å; F146-P170 HydrophobicContact CD2-CB 4Å; F146-P170 HydrophobicContact CE1-CB 4.02Å; F146-P170 HydrophobicContact CE1-CG 3.8Å; F146-P170 HydrophobicContact CE2-CB 4.15Å; F146-P170 HydrophobicContact CG-CB 3.84Å; F146-P170 HydrophobicContact CG-CG 4.01Å; F146-P170 HydrophobicContact CZ-CB 4.17Å; F146-P170 HydrophobicContact CZ-CG 4.42Å; P170-S172 PolarHBondContact O-N 3.31Å; P170-S187 WeakPolarHBondContact O-CA 3.25Å; P170-S187 WeakPolarHBondContact O-CB 3.49Å; P170-S187 PolarHBondContact O-OG 2.61Å; P170-Y188 HydrophobicContact CB-CD2 3.81Å; P170-Y188 HydrophobicContact CB-CE2 4.16Å; P170-Y188 HydrophobicContact CG-CD2 4.13Å; P170-Y188 PolarHBondContact O-N 3.05Å
171	V	98.9	Very high	98.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	117.3	178.9	-173.6	0	0	0	0	109.7	S145 V150 H167 D169 V174 S186	S145-V171 PolarHBondContact O-N 2.97Å; V150-V171 HydrophobicContact CG2-CG1 3.95Å; V150-V171 HydrophobicContact CG2-CG2 4.24Å; H167-V171 HydrophobicContact CB-CG2 4.37Å; D169-V171 PolarHBondContact O-N 3.23Å; V171-V174 HydrophobicContact CG1-CG1 3.95Å; V171-S186 CarbonylContact C-O 3.57Å; V171-S186 WeakPolarHBondContact CA-O 3.38Å; V171-S186 WeakPolarHBondContact CG1-O 3.21Å
172	S	98.9	Very high	98.6	Very high	5 Å²	5	41.7 Å²	41.7	4%	0.035	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-32.1	-172.7	60.3	0	0	0	0	113.6	F130 P170 S186 V214 S215	F130-S172 VanDerWaalsContact CD1-O 3.29Å; F130-S172 WeakPolarHBondContact CD1-O 3.38Å; F130-S172 WeakPolarHBondContact CE1-O 3.36Å; P170-S172 PolarHBondContact O-N 3.31Å; S172-S186 PolarHBondContact N-O 3.19Å; S172-S186 VanDerWaalsContact OG-C 3.28Å; S172-S186 WeakPolarHBondContact OG-CB 3.24Å; S172-S186 PolarHBondContact OG-O 3.37Å; S172-S186 PolarHBondContact OG-OG 2.89Å; S172-V214 WeakPolarHBondContact CB-O 3.2Å; S172-V214 PolarHBondContact OG-O 2.87Å; S172-S215 WeakPolarHBondContact CB-O 3.04Å
173	A	98.9	Very high	98.6	Very high	4 Å²	4	38.9 Å²	38.9	3%	0.033	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	153.5	175.2	0	0	0	0	0	112.3	C131 S185 S186 F216 V217	C131-A173 VanDerWaalsContact SG-C 3.59Å; C131-A173 WeakPolarHBondContact SG-CA 3.32Å; A173-S185 VanDerWaalsContact O-CA 3.26Å; A173-S185 WeakPolarHBondContact O-CA 3.48Å; A173-S186 PolarHBondContact N-OG 2.88Å; A173-S186 PolarHBondContact O-N 3.36Å; A173-F216 HydrophobicContact CB-CD2 3.92Å; A173-F216 HydrophobicContact CB-CE2 4.35Å; A173-V217 HydrophobicContact CB-CG1 4.13Å
174	V	98.9	Very high	98.6	Very high	7 Å²	7	35.4 Å²	35.4	4%	0.042	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	140.2	171.7	-67.5	0	0	0	0	110	C131 V142 V150 V171 V184	C131-V174 HydrophobicContact CB-CG2 4.24Å; V142-V174 HydrophobicContact CB-CG2 4.47Å; V142-V174 HydrophobicContact CG1-CB 4Å; V142-V174 HydrophobicContact CG1-CG2 3.78Å; V142-V174 HydrophobicContact CG2-CB 3.98Å; V142-V174 HydrophobicContact CG2-CG1 4.24Å; V142-V174 HydrophobicContact CG2-CG2 4.18Å; V150-V174 HydrophobicContact CG1-CG1 4.23Å; V150-V174 HydrophobicContact CG2-CG1 3.85Å; V171-V174 HydrophobicContact CG1-CG1 3.95Å; V174-V184 CarbonylContact C-O 3.4Å; V174-V184 WeakPolarHBondContact CA-O 3.33Å
175	H	98.9	Very high	98.6	Very high	40 Å²	40	35 Å²	35	19%	0.185	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	135	-179.7	-163.2	-95.2	0	0	0	112.2	N133 I183 V184 K218 F219	N133-H175 PolarHBondContact ND2-CD2 3.07Å; N133-H175 VanDerWaalsContact ND2-CD2 3.29Å; H175-I183 CarbonylContact O-C 3.56Å; H175-I183 WeakPolarHBondContact O-CA 3.47Å; H175-V184 HydrophobicContact CB-CG1 3.91Å; H175-V184 PolarHBondContact N-O 2.83Å; H175-V184 PolarHBondContact O-N 2.89Å; H175-K218 HydrophobicContact CB-CB 4.18Å; H175-F219 PolarHBondContact ND1-N 3.22Å
176	F	98.9	Very high	98.6	Very high	6 Å²	6	29.4 Å²	29.4	3%	0.026	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	151.1	170.1	-77.1	-79.9	0	0	0	111.5	F134 N135 L140 V142 L182 I183 T197 F219	F134-F176 VanDerWaalsContact C-CD2 3.5Å; F134-F176 WeakPolarHBondContact O-CD2 3.25Å; N135-F176 VanDerWaalsContact CA-CD2 3.43Å; N135-F176 HydrophobicContact CB-CB 4.48Å; N135-F176 HydrophobicContact CB-CD1 3.85Å; N135-F176 HydrophobicContact CB-CD2 3.69Å; N135-F176 HydrophobicContact CB-CE1 3.88Å; N135-F176 HydrophobicContact CB-CE2 3.7Å; N135-F176 HydrophobicContact CB-CG 3.75Å; N135-F176 HydrophobicContact CB-CZ 3.81Å; L140-F176 HydrophobicContact CB-CZ 4.22Å; V142-F176 HydrophobicContact CB-CD2 4.32Å; V142-F176 HydrophobicContact CB-CE2 3.53Å; V142-F176 HydrophobicContact CB-CZ 3.83Å; V142-F176 HydrophobicContact CG1-CD2 3.65Å; V142-F176 HydrophobicContact CG1-CE2 3.34Å; V142-F176 HydrophobicContact CG1-CZ 4.09Å; F176-L182 CarbonylContact C-O 3.55Å; F176-L182 WeakPolarHBondContact CA-O 3.48Å; F176-I183 HydrophobicContact CD1-CD1 4.34Å; F176-I183 HydrophobicContact CD1-CG1 3.55Å; F176-I183 HydrophobicContact CE1-CD1 3.61Å; F176-I183 HydrophobicContact CE1-CG1 3.33Å; F176-I183 HydrophobicContact CG-CG1 4.28Å; F176-I183 HydrophobicContact CZ-CD1 3.89Å; F176-I183 HydrophobicContact CZ-CG1 3.92Å; F176-T197 HydrophobicContact CE1-CG2 3.76Å; F176-F219 WeakPolarHBondContact O-CD2 3.18Å
177	N	98.8	Very high	98.7	Very high	13 Å²	13	29.4 Å²	29.4	7%	0.07	16%	0.155	C	C	.	.			trans	-76.9	-179.6	165.2	76.4	-28.2	0	0	0	111	P136 D179 G180 S181 L182 F219	P136-N177 WeakPolarHBondContact CG-O 3.47Å; N177-D179 VanDerWaalsContact C-N 3.32Å; N177-D179 VanDerWaalsContact CG-OD1 3.25Å; N177-D179 PolarHBondContact ND2-OD1 3.47Å; N177-D179 PolarHBondContact O-N 2.58Å; N177-D179 PolarHBondContact OD1-OD1 3.27Å; N177-G180 PolarHBondContact O-N 2.89Å; N177-G180 WeakPolarHBondContact OD1-CA 3.16Å; N177-G180 PolarHBondContact OD1-N 3.07Å; N177-S181 PolarHBondContact ND2-OG 3.31Å; N177-S181 PolarHBondContact OD1-N 2.79Å; N177-L182 HydrophobicContact CB-CB 4.06Å; N177-L182 PolarHBondContact N-O 2.84Å; N177-L182 PolarHBondContact OD1-N 3.03Å; N177-L182 PolarHBondContact OD1-O 3.27Å; N177-F219 HydrophobicContact CB-CD1 4.16Å; N177-F219 HydrophobicContact CB-CD2 3.71Å; N177-F219 HydrophobicContact CB-CE1 4.24Å; N177-F219 HydrophobicContact CB-CE2 3.76Å; N177-F219 HydrophobicContact CB-CG 3.91Å; N177-F219 HydrophobicContact CB-CZ 4.05Å
178	R	97.7	Very high	98.7	Very high	190 Å²	190	31.7 Å²	31.7	72%	0.717	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-31.5	-171.9	-177.2	179.4	178	-171.7	1.1	115	P136	P136-R178 WeakPolarHBondContact CG-O 3.47Å
179	D	97.9	Very high	98.7	Very high	94 Å²	94	28.8 Å²	28.8	50%	0.503	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-6.7	179.6	61.5	17	0	0	0	113.2	Q137 N177 S181	Q137-D179 PolarHBondContact NE2-O 3.46Å; Q137-D179 PolarHBondContact OE1-O 3.37Å; N177-D179 VanDerWaalsContact C-N 3.32Å; N177-D179 VanDerWaalsContact CG-OD1 3.25Å; N177-D179 PolarHBondContact ND2-OD1 3.47Å; N177-D179 PolarHBondContact O-N 2.58Å; N177-D179 PolarHBondContact OD1-OD1 3.27Å; D179-S181 VanDerWaalsContact C-N 3.3Å; D179-S181 VanDerWaalsContact OD1-CB 3.26Å; D179-S181 WeakPolarHBondContact OD1-CB 3.33Å; D179-S181 PolarHBondContact OD1-N 2.95Å; D179-S181 PolarHBondContact OD1-OG 3.34Å; D179-S181 PolarHBondContact OD2-OG 2.92Å
180	G	98.4	Very high	98.7	Very high	8 Å²	8	25.6 Å²	25.6	8%	0.082	13%	0.126	C	C	.	.	S	Bend	trans	80.2	5.5	-178.9	0	0	0	0	0	114.4	N177 T197	N177-G180 PolarHBondContact O-N 2.89Å; N177-G180 WeakPolarHBondContact OD1-CA 3.16Å; N177-G180 PolarHBondContact OD1-N 3.07Å; G180-T197 WeakPolarHBondContact O-CB 3.12Å; G180-T197 PolarHBondContact O-OG1 2.99Å; G180-T197 VanDerWaalsContact O-OG1 3.07Å
181	S	98.6	Very high	98.6	Very high	49 Å²	49	25.9 Å²	25.9	34%	0.343	13%	0.126	S	C	.	.	S	Bend	trans	-72.9	-30.2	176.9	61	0	0	0	0	112.5	N177 D179 T197	N177-S181 PolarHBondContact ND2-OG 3.31Å; N177-S181 PolarHBondContact OD1-N 2.79Å; D179-S181 VanDerWaalsContact C-N 3.3Å; D179-S181 VanDerWaalsContact OD1-CB 3.26Å; D179-S181 WeakPolarHBondContact OD1-CB 3.33Å; D179-S181 PolarHBondContact OD1-N 2.95Å; D179-S181 PolarHBondContact OD1-OG 3.34Å; D179-S181 PolarHBondContact OD2-OG 2.92Å; S181-T197 VanDerWaalsContact C-OG1 3.28Å; S181-T197 VanDerWaalsContact O-CB 3.26Å; S181-T197 WeakPolarHBondContact O-CB 3.38Å; S181-T197 PolarHBondContact O-N 3.24Å; S181-T197 PolarHBondContact O-OG1 3.29Å
182	L	98.8	Very high	98.6	Very high	21 Å²	21	26.3 Å²	26.3	11%	0.11	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	145.3	-177.1	-56.8	-179.9	0	0	0	112.2	F176 N177 I194 W195 L203 F219 Y240	F176-L182 CarbonylContact C-O 3.55Å; F176-L182 WeakPolarHBondContact CA-O 3.48Å; N177-L182 HydrophobicContact CB-CB 4.06Å; N177-L182 PolarHBondContact N-O 2.84Å; N177-L182 PolarHBondContact OD1-N 3.03Å; N177-L182 PolarHBondContact OD1-O 3.27Å; L182-I194 HydrophobicContact CB-CG2 4.37Å; L182-I194 HydrophobicContact CD1-CG2 4.23Å; L182-I194 HydrophobicContact CD2-CG2 4.26Å; L182-W195 WeakPolarHBondContact CA-O 3.29Å; L182-L203 HydrophobicContact CD2-CD1 3.48Å; L182-L203 VanDerWaalsContact CD2-CD1 3.48Å; L182-F219 HydrophobicContact CB-CE2 4.26Å; L182-F219 HydrophobicContact CB-CZ 3.93Å; L182-F219 HydrophobicContact CD1-CZ 4.43Å; L182-Y240 HydrophobicContact CD1-CE2 4.16Å
183	I	98.9	Very high	98.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	137.3	165.5	-67.1	159.4	0	0	0	107.7	V142 I152 H175 F176 I194 W195 T197	V142-I183 HydrophobicContact CB-CD1 4.32Å; V142-I183 HydrophobicContact CG2-CD1 3.95Å; V142-I183 HydrophobicContact CG2-CG1 4.38Å; V142-I183 HydrophobicContact CG2-CG2 3.96Å; I152-I183 HydrophobicContact CD1-CD1 3.48Å; I152-I183 VanDerWaalsContact CD1-CD1 3.48Å; I152-I183 HydrophobicContact CG1-CD1 3.82Å; H175-I183 CarbonylContact O-C 3.56Å; H175-I183 WeakPolarHBondContact O-CA 3.47Å; F176-I183 HydrophobicContact CD1-CD1 4.34Å; F176-I183 HydrophobicContact CD1-CG1 3.55Å; F176-I183 HydrophobicContact CE1-CD1 3.61Å; F176-I183 HydrophobicContact CE1-CG1 3.33Å; F176-I183 HydrophobicContact CG-CG1 4.28Å; F176-I183 HydrophobicContact CZ-CD1 3.89Å; F176-I183 HydrophobicContact CZ-CG1 3.92Å; I183-I194 CarbonylContact O-C 3.53Å; I183-I194 WeakPolarHBondContact O-CA 3.35Å; I183-W195 HydrophobicContact CB-CB 4.25Å; I183-W195 PolarHBondContact N-O 3.47Å; I183-W195 PolarHBondContact O-N 3.45Å; I183-T197 HydrophobicContact CD1-CG2 4.4Å
184	V	98.9	Very high	98.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	137.4	163.2	64.1	0	0	0	0	108.8	V174 H175 R193 I194 V217 F219 I226	V174-V184 CarbonylContact C-O 3.4Å; V174-V184 WeakPolarHBondContact CA-O 3.33Å; H175-V184 HydrophobicContact CB-CG1 3.91Å; H175-V184 PolarHBondContact N-O 2.83Å; H175-V184 PolarHBondContact O-N 2.89Å; V184-R193 CarbonylContact C-O 3.48Å; V184-R193 VanDerWaalsContact CA-O 3.31Å; V184-R193 WeakPolarHBondContact CA-O 3.23Å; V184-I194 HydrophobicContact CB-CG1 4.48Å; V184-I194 HydrophobicContact CG2-CG1 4.25Å; V184-V217 HydrophobicContact CG1-CG1 4.11Å; V184-V217 HydrophobicContact CG1-CG2 4.2Å; V184-V217 HydrophobicContact CG2-CB 4.46Å; V184-V217 HydrophobicContact CG2-CG1 3.92Å; V184-V217 HydrophobicContact CG2-CG2 3.64Å; V184-F219 HydrophobicContact CB-CD2 4.16Å; V184-F219 HydrophobicContact CB-CE2 3.57Å; V184-F219 HydrophobicContact CB-CZ 3.83Å; V184-F219 HydrophobicContact CG1-CD2 3.55Å; V184-F219 HydrophobicContact CG1-CE2 3.49Å; V184-F219 VanDerWaalsContact CG1-CE2 3.49Å; V184-F219 HydrophobicContact CG1-CG 4.28Å; V184-F219 HydrophobicContact CG1-CZ 4.15Å; V184-I226 HydrophobicContact CG2-CD1 4.3Å; V184-I226 HydrophobicContact CG2-CG2 4.28Å
185	S	98.9	Very high	98.6	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	150.6	172	64.9	0	0	0	0	111.1	H167 A173 C192 R193 W195	H167-S185 WeakPolarHBondContact NE2-CB 3.36Å; H167-S185 PolarHBondContact NE2-OG 2.86Å; A173-S185 VanDerWaalsContact O-CA 3.26Å; A173-S185 WeakPolarHBondContact O-CA 3.48Å; S185-C192 CarbonylContact O-C 3.54Å; S185-C192 VanDerWaalsContact O-CA 3.29Å; S185-C192 WeakPolarHBondContact O-CA 3.41Å; S185-R193 PolarHBondContact N-O 2.9Å; S185-R193 PolarHBondContact O-N 2.79Å; S185-W195 PolarHBondContact OG-NE1 2.88Å
186	S	98.8	Very high	98.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	158.4	171.6	57.9	0	0	0	0	111.3	V171 S172 A173 L191 V217	V171-S186 CarbonylContact C-O 3.57Å; V171-S186 WeakPolarHBondContact CA-O 3.38Å; V171-S186 WeakPolarHBondContact CG1-O 3.21Å; S172-S186 PolarHBondContact N-O 3.19Å; S172-S186 VanDerWaalsContact OG-C 3.28Å; S172-S186 WeakPolarHBondContact OG-CB 3.24Å; S172-S186 PolarHBondContact OG-O 3.37Å; S172-S186 PolarHBondContact OG-OG 2.89Å; A173-S186 PolarHBondContact N-OG 2.88Å; A173-S186 PolarHBondContact O-N 3.36Å; S186-L191 WeakPolarHBondContact CA-O 3.49Å; S186-V217 VanDerWaalsContact CB-CG1 3.49Å; S186-V217 WeakPolarHBondContact OG-CG1 3.31Å
187	S	98.8	Very high	98.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	164.7	178.9	167.6	0	0	0	0	112	H167 D169 P170 D189 G190 L191 V214	H167-S187 WeakPolarHBondContact ND1-CB 3.4Å; D169-S187 PolarHBondContact O-OG 3.42Å; P170-S187 WeakPolarHBondContact O-CA 3.25Å; P170-S187 WeakPolarHBondContact O-CB 3.49Å; P170-S187 PolarHBondContact O-OG 2.61Å; S187-D189 VanDerWaalsContact CB-OD1 3.31Å; S187-D189 WeakPolarHBondContact CB-OD1 3.12Å; S187-D189 PolarHBondContact O-N 2.59Å; S187-D189 PolarHBondContact OG-N 3.4Å; S187-D189 VanDerWaalsContact OG-N 3.11Å; S187-G190 PolarHBondContact O-N 3.13Å; S187-L191 PolarHBondContact N-O 2.95Å; S187-V214 CarbonylContact C-O 3.52Å; S187-V214 PolarHBondContact O-N 2.76Å
188	Y	98.6	Very high	98.5	Very high	62 Å²	62	32.3 Å²	32.3	24%	0.243	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-10.5	168.2	-62.3	-51.5	0	0	0	114	P170 G190 P213 L231 C258	P170-Y188 HydrophobicContact CB-CD2 3.81Å; P170-Y188 HydrophobicContact CB-CE2 4.16Å; P170-Y188 HydrophobicContact CG-CD2 4.13Å; P170-Y188 PolarHBondContact O-N 3.05Å; Y188-G190 PolarHBondContact O-N 3.48Å; Y188-G190 VanDerWaalsContact O-N 3.11Å; Y188-P213 HydrophobicContact CD1-CB 3.76Å; Y188-P213 HydrophobicContact CG-CB 4.44Å; Y188-L231 HydrophobicContact CD1-CD1 4.26Å; Y188-L231 HydrophobicContact CE1-CD1 3.92Å; Y188-C258 PolarHBondContact OH-SG 2.93Å
189	D	98.3	Very high	98.6	Very high	15 Å²	15	26.1 Å²	26.1	8%	0.08	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-3.1	169.7	68.8	8.2	0	0	0	113.3	H167 S168 D169 S187 L191 N211	H167-D189 WeakPolarHBondContact CA-OD2 3.16Å; H167-D189 VanDerWaalsContact CB-OD2 3.24Å; H167-D189 WeakPolarHBondContact CB-OD2 3.5Å; H167-D189 IonicContact CE1-OD1 3.63Å; H167-D189 IonicContact CG-OD2 2.68Å; H167-D189 IonicContact ND1-OD1 2.56Å; H167-D189 PolarHBondContact ND1-OD1 2.88Å; H167-D189 IonicContact ND1-OD2 2.74Å; H167-D189 PolarHBondContact ND1-OD2 2.87Å; S168-D189 PolarHBondContact N-OD2 2.94Å; S168-D189 WeakPolarHBondContact OG-CB 3.39Å; D169-D189 HydrophobicContact CB-CB 3.99Å; S187-D189 VanDerWaalsContact CB-OD1 3.31Å; S187-D189 WeakPolarHBondContact CB-OD1 3.12Å; S187-D189 PolarHBondContact O-N 2.59Å; S187-D189 PolarHBondContact OG-N 3.4Å; S187-D189 VanDerWaalsContact OG-N 3.11Å; D189-L191 VanDerWaalsContact C-N 3.32Å; D189-L191 VanDerWaalsContact OD1-CB 3.23Å; D189-L191 WeakPolarHBondContact OD1-CB 3.43Å; D189-L191 WeakPolarHBondContact OD1-CG 3.46Å; D189-L191 PolarHBondContact OD1-N 3.35Å; D189-N211 PolarHBondContact O-ND2 2.76Å
190	G	97.9	Very high	98.6	Very high	5 Å²	5	22 Å²	22	5%	0.052	13%	0.134	C	C	.	.	S	Bend	trans	85.2	-1.3	178.9	0	0	0	0	0	114.2	S187 Y188 N211 P212 V214	S187-G190 PolarHBondContact O-N 3.13Å; Y188-G190 PolarHBondContact O-N 3.48Å; Y188-G190 VanDerWaalsContact O-N 3.11Å; G190-N211 VanDerWaalsContact CA-OD1 3.26Å; G190-N211 WeakPolarHBondContact CA-OD1 3.42Å; G190-N211 PolarHBondContact O-OD1 2.79Å; G190-P212 WeakPolarHBondContact CA-O 3.35Å; G190-V214 WeakPolarHBondContact O-CG2 3.44Å
191	L	98.1	Very high	98.5	Very high	24 Å²	24	27.8 Å²	27.8	13%	0.126	16%	0.159	C	C	.	.			trans	-96.6	144.6	-174.4	-52.9	-179.8	0	0	0	112.6	H167 S186 S187 D189 T205 I207	H167-L191 PolarHBondContact CE1-O 3.2Å; S186-L191 WeakPolarHBondContact CA-O 3.49Å; S187-L191 PolarHBondContact N-O 2.95Å; D189-L191 VanDerWaalsContact C-N 3.32Å; D189-L191 VanDerWaalsContact OD1-CB 3.23Å; D189-L191 WeakPolarHBondContact OD1-CB 3.43Å; D189-L191 WeakPolarHBondContact OD1-CG 3.46Å; D189-L191 PolarHBondContact OD1-N 3.35Å; L191-T205 HydrophobicContact CB-CG2 4.31Å; L191-T205 HydrophobicContact CD1-CG2 4.09Å; L191-T205 HydrophobicContact CD2-CG2 4.06Å; L191-T205 HydrophobicContact CG-CG2 4.39Å; L191-I207 HydrophobicContact CD2-CB 4.12Å; L191-I207 HydrophobicContact CD2-CD1 3.91Å; L191-I207 HydrophobicContact CD2-CG1 4.06Å
192	C	98.6	Very high	98.5	Very high	9 Å²	9	27.9 Å²	27.9	6%	0.061	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	126.9	157	-73.8	0	0	0	0	109.3	S185 L206 I226	S185-C192 CarbonylContact O-C 3.54Å; S185-C192 VanDerWaalsContact O-CA 3.29Å; S185-C192 WeakPolarHBondContact O-CA 3.41Å; C192-L206 HydrophobicContact CB-CB 4.08Å; C192-L206 PolarHBondContact N-O 3.16Å; C192-L206 VanDerWaalsContact N-O 3.08Å; C192-L206 PolarHBondContact O-N 2.74Å; C192-I226 HydrophobicContact CB-CD1 4.29Å
193	R	98.8	Very high	98.5	Very high	57 Å²	57	31.7 Å²	31.7	22%	0.215	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	142.7	177.2	-70.1	178.2	-175.6	-171.9	2.3	111.3	A166 V184 S185 W195 K204 T205	A166-R193 WeakPolarHBondContact O-CD 3.39Å; A166-R193 PolarHBondContact O-NE 3.35Å; A166-R193 PolarHBondContact O-NH1 2.76Å; V184-R193 CarbonylContact C-O 3.48Å; V184-R193 VanDerWaalsContact CA-O 3.31Å; V184-R193 WeakPolarHBondContact CA-O 3.23Å; S185-R193 PolarHBondContact N-O 2.9Å; S185-R193 PolarHBondContact O-N 2.79Å; R193-W195 HydrophobicContact CB-CZ2 3.65Å; R193-W195 VanDerWaalsContact CD-CZ2 3.48Å; R193-W195 HydrophobicContact CG-CZ2 4.21Å; R193-K204 CarbonylContact C-O 3.6Å; R193-K204 WeakPolarHBondContact CA-O 3.5Å; R193-T205 HydrophobicContact CG-CG2 4.16Å
194	I	98.8	Very high	98.4	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.015	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	128.5	175.3	-61.9	-178.6	0	0	0	108.6	L182 I183 V184 L203 K204 Y240	L182-I194 HydrophobicContact CB-CG2 4.37Å; L182-I194 HydrophobicContact CD1-CG2 4.23Å; L182-I194 HydrophobicContact CD2-CG2 4.26Å; I183-I194 CarbonylContact O-C 3.53Å; I183-I194 WeakPolarHBondContact O-CA 3.35Å; V184-I194 HydrophobicContact CB-CG1 4.48Å; V184-I194 HydrophobicContact CG2-CG1 4.25Å; I194-L203 PolarHBondContact O-N 3.37Å; I194-K204 HydrophobicContact CB-CB 4.38Å; I194-K204 PolarHBondContact N-O 3.2Å; I194-K204 PolarHBondContact O-N 2.93Å; I194-Y240 VanDerWaalsContact CD1-CB 3.41Å; I194-Y240 HydrophobicContact CD1-CD1 4.37Å; I194-Y240 HydrophobicContact CD1-CD2 3.25Å; I194-Y240 HydrophobicContact CD1-CE2 4.09Å; I194-Y240 HydrophobicContact CD1-CG 3.43Å; I194-Y240 VanDerWaalsContact CD1-CG 3.43Å
195	W	98.9	Very high	98.3	Very high	12 Å²	12	38.3 Å²	38.3	5%	0.045	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	140.8	-173.8	-48.3	85.7	0	0	0	110.2	L164 A166 L182 I183 S185 R193 Q201 C202	L164-W195 HydrophobicContact CB-CE3 4.48Å; L164-W195 HydrophobicContact CB-CZ3 4.32Å; L164-W195 HydrophobicContact CD1-CB 4.26Å; L164-W195 HydrophobicContact CD1-CD2 3.84Å; L164-W195 HydrophobicContact CD1-CE3 3.83Å; L164-W195 HydrophobicContact CD1-CG 4.03Å; L164-W195 HydrophobicContact CD1-CZ3 4.49Å; A166-W195 HydrophobicContact CB-CH2 4.1Å; A166-W195 HydrophobicContact CB-CZ2 3.63Å; L182-W195 WeakPolarHBondContact CA-O 3.29Å; I183-W195 HydrophobicContact CB-CB 4.25Å; I183-W195 PolarHBondContact N-O 3.47Å; I183-W195 PolarHBondContact O-N 3.45Å; S185-W195 PolarHBondContact OG-NE1 2.88Å; R193-W195 HydrophobicContact CB-CZ2 3.65Å; R193-W195 VanDerWaalsContact CD-CZ2 3.48Å; R193-W195 HydrophobicContact CG-CZ2 4.21Å; W195-Q201 WeakPolarHBondContact CA-O 3.26Å; W195-C202 HydrophobicContact CD2-CB 4.49Å; W195-C202 HydrophobicContact CE3-CB 3.78Å; W195-C202 HydrophobicContact CH2-CB 4.08Å; W195-C202 HydrophobicContact CZ3-CB 3.56Å
196	D	98.8	Very high	98	Very high	39 Å²	39	38.8 Å²	38.8	21%	0.209	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	125.1	164.7	175.7	-105.3	0	0	0	109.6	A198 S199 G200 Q201 L203	D196-A198 PolarHBondContact O-N 3.35Å; D196-A198 PolarHBondContact OD1-N 2.99Å; D196-S199 WeakPolarHBondContact CB-OG 3.41Å; D196-S199 WeakPolarHBondContact OD1-CA 3.34Å; D196-S199 WeakPolarHBondContact OD1-CB 3.38Å; D196-S199 PolarHBondContact OD1-N 3.16Å; D196-S199 PolarHBondContact OD1-OG 2.81Å; D196-G200 WeakPolarHBondContact O-CA 3.19Å; D196-G200 PolarHBondContact O-N 3.38Å; D196-Q201 PolarHBondContact N-O 3.16Å; D196-L203 HydrophobicContact CB-CD1 4.01Å; D196-L203 HydrophobicContact CB-CD2 4.06Å; D196-L203 HydrophobicContact CB-CG 4.01Å
197	T	98.7	Very high	97.6	Very high	10 Å²	10	43.7 Å²	43.7	6%	0.061	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-37.9	-175	-60.3	0	0	0	0	111.9	L140 I152 K162 F176 G180 S181 I183	L140-T197 HydrophobicContact CD1-CG2 3.73Å; I152-T197 HydrophobicContact CD1-CG2 4.46Å; K162-T197 PolarHBondContact NZ-O 3.01Å; F176-T197 HydrophobicContact CE1-CG2 3.76Å; G180-T197 WeakPolarHBondContact O-CB 3.12Å; G180-T197 PolarHBondContact O-OG1 2.99Å; G180-T197 VanDerWaalsContact O-OG1 3.07Å; S181-T197 VanDerWaalsContact C-OG1 3.28Å; S181-T197 VanDerWaalsContact O-CB 3.26Å; S181-T197 WeakPolarHBondContact O-CB 3.38Å; S181-T197 PolarHBondContact O-N 3.24Å; S181-T197 PolarHBondContact O-OG1 3.29Å; I183-T197 HydrophobicContact CD1-CG2 4.4Å
198	A	98.2	Very high	96.7	Very high	81 Å²	81	45.4 Å²	45.4	67%	0.669	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-43.4	-173.9	0	0	0	0	0	112	K162 D196	K162-A198 WeakPolarHBondContact CE-O 3.46Å; K162-A198 PolarHBondContact NZ-O 2.74Å; D196-A198 PolarHBondContact O-N 3.35Å; D196-A198 PolarHBondContact OD1-N 2.99Å
199	S	98.1	Very high	95.7	Very high	59 Å²	59	50.2 Å²	50.2	41%	0.413	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-25.9	-177.7	67	0	0	0	0	113.6	K162 D196 Q201	K162-S199 WeakPolarHBondContact CE-O 3.35Å; D196-S199 WeakPolarHBondContact CB-OG 3.41Å; D196-S199 WeakPolarHBondContact OD1-CA 3.34Å; D196-S199 WeakPolarHBondContact OD1-CB 3.38Å; D196-S199 PolarHBondContact OD1-N 3.16Å; D196-S199 PolarHBondContact OD1-OG 2.81Å; S199-Q201 VanDerWaalsContact C-N 3.25Å; S199-Q201 WeakPolarHBondContact OG-CG 3.32Å; S199-Q201 PolarHBondContact OG-N 3.03Å
200	G	97.9	Very high	94.9	Very high	9 Å²	9	56.2 Å²	56.2	9%	0.093	31%	0.312	C	S	.	.			trans	76.8	8.1	-171.7	0	0	0	0	0	114	L164 D196	L164-G200 WeakPolarHBondContact CD2-O 3.34Å; D196-G200 WeakPolarHBondContact O-CA 3.19Å; D196-G200 PolarHBondContact O-N 3.38Å
201	Q	98.2	Very high	94.5	Very high	128 Å²	128	58.7 Å²	58.7	60%	0.598	32%	0.324	S	S	*	.			trans	-76.1	142.8	179.8	-64.4	-60.8	-45.6	0	0	111.4	W195 D196 S199 L203	W195-Q201 WeakPolarHBondContact CA-O 3.26Å; D196-Q201 PolarHBondContact N-O 3.16Å; S199-Q201 VanDerWaalsContact C-N 3.25Å; S199-Q201 WeakPolarHBondContact OG-CG 3.32Å; S199-Q201 PolarHBondContact OG-N 3.03Å; Q201-L203 PolarHBondContact O-N 2.97Å
202	C	98.3	Very high	94.4	Very high	52 Å²	52	58.4 Å²	58.4	35%	0.351	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	117.4	170.2	-171.6	0	0	0	0	109	W195	W195-C202 HydrophobicContact CD2-CB 4.49Å; W195-C202 HydrophobicContact CE3-CB 3.78Å; W195-C202 HydrophobicContact CH2-CB 4.08Å; W195-C202 HydrophobicContact CZ3-CB 3.56Å
203	L	97.9	Very high	94.4	Very high	100 Å²	100	60.3 Å²	60.3	52%	0.524	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	-32.1	177.7	-61.7	-177.3	0	0	0	112.1	L182 I194 D196 Q201	L182-L203 HydrophobicContact CD2-CD1 3.48Å; L182-L203 VanDerWaalsContact CD2-CD1 3.48Å; I194-L203 PolarHBondContact O-N 3.37Å; D196-L203 HydrophobicContact CB-CD1 4.01Å; D196-L203 HydrophobicContact CB-CD2 4.06Å; D196-L203 HydrophobicContact CB-CG 4.01Å; Q201-L203 PolarHBondContact O-N 2.97Å
204	K	96.5	Very high	94.4	Very high	72 Å²	72	57.9 Å²	57.9	31%	0.313	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	141.9	-176.6	-170.8	163.3	-85.3	172	0	111.7	R193 I194 L206 Y240 S241	R193-K204 CarbonylContact C-O 3.6Å; R193-K204 WeakPolarHBondContact CA-O 3.5Å; I194-K204 HydrophobicContact CB-CB 4.38Å; I194-K204 PolarHBondContact N-O 3.2Å; I194-K204 PolarHBondContact O-N 2.93Å; K204-L206 HydrophobicContact CD-CD2 3.87Å; K204-L206 HydrophobicContact CG-CD2 4.04Å; K204-L206 HydrophobicContact CG-CG 4.42Å; K204-Y240 WeakPolarHBondContact CD-O 3.23Å; K204-Y240 PolarHBondContact NZ-O 3.1Å; K204-S241 PolarHBondContact NZ-O 3.35Å
205	T	97.1	Very high	94.4	Very high	67 Å²	67	57.7 Å²	57.7	41%	0.411	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	125.4	166.2	-56.6	0	0	0	0	107.9	L191 R193	L191-T205 HydrophobicContact CB-CG2 4.31Å; L191-T205 HydrophobicContact CD1-CG2 4.09Å; L191-T205 HydrophobicContact CD2-CG2 4.06Å; L191-T205 HydrophobicContact CG-CG2 4.39Å; R193-T205 HydrophobicContact CG-CG2 4.16Å
206	L	93.5	Very high	94.4	Very high	11 Å²	11	57.7 Å²	57.7	6%	0.058	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	126.5	173	-58.8	173.1	0	0	0	107.5	C192 K204 I226	C192-L206 HydrophobicContact CB-CB 4.08Å; C192-L206 PolarHBondContact N-O 3.16Å; C192-L206 VanDerWaalsContact N-O 3.08Å; C192-L206 PolarHBondContact O-N 2.74Å; K204-L206 HydrophobicContact CD-CD2 3.87Å; K204-L206 HydrophobicContact CG-CD2 4.04Å; K204-L206 HydrophobicContact CG-CG 4.42Å; L206-I226 HydrophobicContact CD1-CD1 3.31Å; L206-I226 HydrophobicContact CD1-CG1 4.26Å
207	I	90.8	Very high	94.4	Very high	102 Å²	102	55.9 Å²	55.9	52%	0.523	32%	0.317	S	S	.	.			trans	-130.3	145.7	179.1	-173.1	165.3	0	0	0	107.7	L191 N211	L191-I207 HydrophobicContact CD2-CB 4.12Å; L191-I207 HydrophobicContact CD2-CD1 3.91Å; L191-I207 HydrophobicContact CD2-CG1 4.06Å; I207-N211 HydrophobicContact CD1-CB 4.48Å; I207-N211 HydrophobicContact CG1-CB 4.39Å
208	D	79.4	Confident	94.4	Very high	36 Å²	36	57.2 Å²	57.2	19%	0.193	32%	0.322	C	S	.	.			trans	-107.6	156.9	171	-148.3	-31.3	0	0	0	109.2	D210 N211 K236 W238	D208-D210 VanDerWaalsContact C-N 3.25Å; D208-D210 PolarHBondContact O-N 2.84Å; D208-D210 VanDerWaalsContact O-N 3.16Å; D208-N211 PolarHBondContact O-N 3.03Å; D208-K236 IonicContact OD1-NZ 2.69Å; D208-K236 WeakPolarHBondContact OD2-CD 3.49Å; D208-K236 WeakPolarHBondContact OD2-CE 3.38Å; D208-K236 IonicContact OD2-NZ 3.72Å; D208-K236 PolarHBondContact OD2-NZ 3.05Å; D208-W238 HydrophobicContact CB-CH2 4.46Å; D208-W238 HydrophobicContact CB-CZ2 4.21Å; D208-W238 WeakPolarHBondContact OD2-CZ2 3.35Å
209	D	77.3	Confident	94.4	Very high	163 Å²	163	53.6 Å²	53.6	87%	0.872	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-35.2	-167.9	-66.3	-31.5	0	0	0	112.8
210	D	82	Confident	94.4	Very high	141 Å²	141	51 Å²	51	75%	0.754	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-10.1	-179.1	-62.4	-39.1	0	0	0	114	D208	D208-D210 VanDerWaalsContact C-N 3.25Å; D208-D210 PolarHBondContact O-N 2.84Å; D208-D210 VanDerWaalsContact O-N 3.16Å
211	N	88.4	Confident	94.4	Very high	57 Å²	57	54.1 Å²	54.1	31%	0.305	29%	0.292	S	S	.	.			trans	40.2	48.7	-179	-160.1	50.9	0	0	0	116.5	D189 G190 I207 D208	D189-N211 PolarHBondContact O-ND2 2.76Å; G190-N211 VanDerWaalsContact CA-OD1 3.26Å; G190-N211 WeakPolarHBondContact CA-OD1 3.42Å; G190-N211 PolarHBondContact O-OD1 2.79Å; I207-N211 HydrophobicContact CD1-CB 4.48Å; I207-N211 HydrophobicContact CG1-CB 4.39Å; D208-N211 PolarHBondContact O-N 3.03Å
212	P	95.8	Very high	94.3	Very high	19 Å²	19	51.9 Å²	51.9	12%	0.123	28%	0.284	C	S	.	.			trans	-65.6	153.7	174.9	29.8	-35.9	0	0	0	110.9	G190 V214 T230 D232	G190-P212 WeakPolarHBondContact CA-O 3.35Å; P212-V214 PolarHBondContact O-N 2.82Å; P212-T230 HydrophobicContact CG-CG2 3.85Å; P212-D232 HydrophobicContact CB-CB 4.22Å; P212-D232 HydrophobicContact CG-CB 4.45Å
213	P	98.3	Very high	94.2	Very high	48 Å²	48	49.8 Å²	49.8	31%	0.312	27%	0.271	S	S	.	.			trans	-53.6	125.7	179.1	-25	33	0	0	0	111.7	Y188 S215 T230 L231	Y188-P213 HydrophobicContact CD1-CB 3.76Å; Y188-P213 HydrophobicContact CG-CB 4.44Å; P213-S215 PolarHBondContact O-N 2.88Å; P213-T230 WeakPolarHBondContact O-CA 3.48Å; P213-L231 HydrophobicContact CB-CB 4.35Å; P213-L231 HydrophobicContact CB-CD1 4.04Å; P213-L231 HydrophobicContact CB-CG 4.21Å; P213-L231 PolarHBondContact O-N 3.35Å
214	V	98.7	Very high	94.1	Very high	6 Å²	6	51.3 Å²	51.3	4%	0.036	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	115.3	179	-175.2	0	0	0	0	108.1	S172 S187 G190 P212 A228 A229 T230	S172-V214 WeakPolarHBondContact CB-O 3.2Å; S172-V214 PolarHBondContact OG-O 2.87Å; S187-V214 CarbonylContact C-O 3.52Å; S187-V214 PolarHBondContact O-N 2.76Å; G190-V214 WeakPolarHBondContact O-CG2 3.44Å; P212-V214 PolarHBondContact O-N 2.82Å; V214-A228 HydrophobicContact CG1-CB 4.29Å; V214-A229 CarbonylContact C-O 3.53Å; V214-A229 WeakPolarHBondContact CA-O 3.36Å; V214-A229 VanDerWaalsContact CG1-O 3.27Å; V214-A229 WeakPolarHBondContact CG1-O 3.45Å; V214-T230 HydrophobicContact CB-CG2 4.48Å; V214-T230 HydrophobicContact CG2-CG2 3.92Å
215	S	98.8	Very high	94.2	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-16.7	-171.3	68.2	0	0	0	0	113.4	S172 P213 A229 L231 N254 C258	S172-S215 WeakPolarHBondContact CB-O 3.04Å; P213-S215 PolarHBondContact O-N 2.88Å; S215-A229 PolarHBondContact N-O 3.32Å; S215-A229 PolarHBondContact OG-O 3.11Å; S215-L231 VanDerWaalsContact CB-CD2 3.42Å; S215-N254 PolarHBondContact OG-ND2 3.41Å; S215-C258 WeakPolarHBondContact O-CA 3.49Å; S215-C258 WeakPolarHBondContact O-CB 3.38Å; S215-C258 PolarHBondContact O-SG 3.14Å
216	F	98.9	Very high	94.3	Very high	12 Å²	12	48.3 Å²	48.3	5%	0.053	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	149.6	175	-178.7	-102.9	0	0	0	111.8	A173 K218 A228 A229 I259 F260 A261	A173-F216 HydrophobicContact CB-CD2 3.92Å; A173-F216 HydrophobicContact CB-CE2 4.35Å; F216-K218 HydrophobicContact CE1-CB 4.05Å; F216-K218 HydrophobicContact CE1-CD 3.78Å; F216-K218 HydrophobicContact CE1-CG 3.86Å; F216-K218 HydrophobicContact CZ-CB 4.01Å; F216-K218 HydrophobicContact CZ-CD 3.85Å; F216-K218 HydrophobicContact CZ-CG 4.16Å; F216-A228 CarbonylContact O-C 3.46Å; F216-A228 VanDerWaalsContact O-CA 3.28Å; F216-A228 WeakPolarHBondContact O-CA 3.5Å; F216-A229 HydrophobicContact CB-CB 3.86Å; F216-A229 PolarHBondContact N-O 2.86Å; F216-A229 PolarHBondContact O-N 2.66Å; F216-I259 WeakPolarHBondContact CB-O 3.28Å; F216-F260 AromaticContact CD2-CD1 3.97Å; F216-F260 HydrophobicContact CD2-CD1 3.97Å; F216-F260 HydrophobicContact CD2-CE1 4.42Å; F216-F260 HydrophobicContact CD2-CG 4.38Å; F216-F260 HydrophobicContact CE2-CB 4.37Å; F216-F260 AromaticContact CE2-CD1 3.33Å; F216-F260 HydrophobicContact CE2-CD1 3.33Å; F216-F260 AromaticContact CE2-CE1 3.84Å; F216-F260 HydrophobicContact CE2-CE1 3.84Å; F216-F260 HydrophobicContact CE2-CG 4.08Å; F216-F260 HydrophobicContact CZ-CD1 4.01Å; F216-A261 HydrophobicContact CD1-CB 4.05Å; F216-A261 HydrophobicContact CE1-CB 4.19Å; F216-A261 WeakPolarHBondContact CE1-O 3.28Å
217	V	98.9	Very high	94.5	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	142.6	169.2	72.5	0	0	0	0	112.1	A173 V184 S186 I226 L227 A228	A173-V217 HydrophobicContact CB-CG1 4.13Å; V184-V217 HydrophobicContact CG1-CG1 4.11Å; V184-V217 HydrophobicContact CG1-CG2 4.2Å; V184-V217 HydrophobicContact CG2-CB 4.46Å; V184-V217 HydrophobicContact CG2-CG1 3.92Å; V184-V217 HydrophobicContact CG2-CG2 3.64Å; S186-V217 VanDerWaalsContact CB-CG1 3.49Å; S186-V217 WeakPolarHBondContact OG-CG1 3.31Å; V217-I226 HydrophobicContact CG2-CB 4.21Å; V217-I226 HydrophobicContact CG2-CD1 4.02Å; V217-L227 CarbonylContact C-O 3.45Å; V217-L227 VanDerWaalsContact CA-O 3.28Å; V217-L227 WeakPolarHBondContact CA-O 3.49Å; V217-A228 HydrophobicContact CG2-CB 4.32Å
218	K	98.9	Very high	94.9	Very high	38 Å²	38	43.1 Å²	43.1	17%	0.165	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	154.6	166.9	73.8	-174.2	-59.9	164.6	0	113	H175 F216 I226 L227 A261 N262 F263	H175-K218 HydrophobicContact CB-CB 4.18Å; F216-K218 HydrophobicContact CE1-CB 4.05Å; F216-K218 HydrophobicContact CE1-CD 3.78Å; F216-K218 HydrophobicContact CE1-CG 3.86Å; F216-K218 HydrophobicContact CZ-CB 4.01Å; F216-K218 HydrophobicContact CZ-CD 3.85Å; F216-K218 HydrophobicContact CZ-CG 4.16Å; K218-I226 CarbonylContact O-C 3.55Å; K218-I226 VanDerWaalsContact O-CA 3.28Å; K218-I226 WeakPolarHBondContact O-CA 3.5Å; K218-L227 PolarHBondContact N-O 3.47Å; K218-L227 PolarHBondContact O-N 3.06Å; K218-A261 WeakPolarHBondContact CD-O 3.31Å; K218-N262 PolarHBondContact NZ-OD1 3.11Å; K218-F263 HydrophobicContact CD-CD2 4.41Å; K218-F263 HydrophobicContact CG-CE2 4.19Å
219	F	98.9	Very high	95.8	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.018	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	145	166.6	-74	-77.5	0	0	0	111.3	H175 F176 N177 L182 V184 Y225 I226 Y240	H175-F219 PolarHBondContact ND1-N 3.22Å; F176-F219 WeakPolarHBondContact O-CD2 3.18Å; N177-F219 HydrophobicContact CB-CD1 4.16Å; N177-F219 HydrophobicContact CB-CD2 3.71Å; N177-F219 HydrophobicContact CB-CE1 4.24Å; N177-F219 HydrophobicContact CB-CE2 3.76Å; N177-F219 HydrophobicContact CB-CG 3.91Å; N177-F219 HydrophobicContact CB-CZ 4.05Å; L182-F219 HydrophobicContact CB-CE2 4.26Å; L182-F219 HydrophobicContact CB-CZ 3.93Å; L182-F219 HydrophobicContact CD1-CZ 4.43Å; V184-F219 HydrophobicContact CB-CD2 4.16Å; V184-F219 HydrophobicContact CB-CE2 3.57Å; V184-F219 HydrophobicContact CB-CZ 3.83Å; V184-F219 HydrophobicContact CG1-CD2 3.55Å; V184-F219 HydrophobicContact CG1-CE2 3.49Å; V184-F219 VanDerWaalsContact CG1-CE2 3.49Å; V184-F219 HydrophobicContact CG1-CG 4.28Å; V184-F219 HydrophobicContact CG1-CZ 4.15Å; F219-Y225 WeakPolarHBondContact CA-O 3.35Å; F219-I226 HydrophobicContact CD1-CG2 3.56Å; F219-I226 HydrophobicContact CE1-CG2 3.66Å; F219-I226 HydrophobicContact CG-CG2 4.21Å; F219-I226 HydrophobicContact CZ-CG2 4.41Å; F219-Y240 HydrophobicContact CD1-CE1 4.12Å; F219-Y240 HydrophobicContact CE1-CD1 4.07Å; F219-Y240 AromaticContact CE1-CE1 3.74Å; F219-Y240 HydrophobicContact CE1-CE1 3.74Å
220	S	98.6	Very high	96.9	Very high	6 Å²	6	34.1 Å²	34.1	4%	0.042	18%	0.18	C	C	.	.			trans	-64.7	153.9	163.9	57.2	0	0	0	0	111.4	N222 G223 Y225 F263	S220-N222 PolarHBondContact O-N 3.03Å; S220-N222 VanDerWaalsContact O-N 3.1Å; S220-N222 PolarHBondContact OG-OD1 2.87Å; S220-G223 WeakPolarHBondContact O-CA 3.11Å; S220-G223 PolarHBondContact O-N 3.19Å; S220-Y225 WeakPolarHBondContact CB-O 3.33Å; S220-Y225 PolarHBondContact N-O 2.6Å; S220-Y225 WeakPolarHBondContact OG-CA 3.34Å; S220-Y225 WeakPolarHBondContact OG-CB 3.44Å; S220-Y225 PolarHBondContact OG-N 3.24Å; S220-Y225 PolarHBondContact OG-O 3.33Å; S220-F263 VanDerWaalsContact CA-CE2 3.42Å
221	P	97.6	Very high	97.6	Very high	73 Å²	73	28.9 Å²	28.9	47%	0.474	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-27.7	-175.2	-29.1	37.4	0	0	0	115.1	G223 F263 V265	P221-G223 VanDerWaalsContact C-N 3.3Å; P221-F263 HydrophobicContact CG-CB 4.13Å; P221-V265 HydrophobicContact CG-CG1 4.07Å
222	N	96.4	Very high	98.1	Very high	82 Å²	82	28.7 Å²	28.7	44%	0.439	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-3.4	176.1	69.2	12.9	0	0	0	113.5	S220 K224	S220-N222 PolarHBondContact O-N 3.03Å; S220-N222 VanDerWaalsContact O-N 3.1Å; S220-N222 PolarHBondContact OG-OD1 2.87Å; N222-K224 VanDerWaalsContact C-N 3.29Å; N222-K224 PolarHBondContact O-N 2.85Å; N222-K224 WeakPolarHBondContact OD1-CB 3.37Å; N222-K224 PolarHBondContact OD1-N 3.22Å
223	G	95.5	Very high	98.2	Very high	8 Å²	8	29.5 Å²	29.5	8%	0.082	15%	0.154	C	C	.	.	S	Bend	trans	74.1	6.2	179.5	0	0	0	0	0	115.6	S220 P221 Y240	S220-G223 WeakPolarHBondContact O-CA 3.11Å; S220-G223 PolarHBondContact O-N 3.19Å; P221-G223 VanDerWaalsContact C-N 3.3Å; G223-Y240 VanDerWaalsContact O-CE1 3.26Å; G223-Y240 WeakPolarHBondContact O-CE1 3.48Å; G223-Y240 PolarHBondContact O-OH 3.23Å
224	K	96.4	Very high	98.2	Very high	131 Å²	131	28 Å²	28	57%	0.57	14%	0.143	S	C	*	.	S	Bend	trans	-91.3	-26.2	-174.9	-64.9	-170.8	175.7	-174.3	0	114.5	N222 Y240	N222-K224 VanDerWaalsContact C-N 3.29Å; N222-K224 PolarHBondContact O-N 2.85Å; N222-K224 WeakPolarHBondContact OD1-CB 3.37Å; N222-K224 PolarHBondContact OD1-N 3.22Å; K224-Y240 WeakPolarHBondContact O-CD1 3.11Å; K224-Y240 VanDerWaalsContact O-CE1 3.3Å; K224-Y240 WeakPolarHBondContact O-CE1 3.32Å
225	Y	98.4	Very high	98.2	Very high	76 Å²	76	27.7 Å²	27.7	30%	0.298	14%	0.142	S	C	.	.			trans	-123.5	159	-176.8	-45.6	-65.7	0	0	0	111	F219 S220 L237 W238 D239 L246	F219-Y225 WeakPolarHBondContact CA-O 3.35Å; S220-Y225 WeakPolarHBondContact CB-O 3.33Å; S220-Y225 PolarHBondContact N-O 2.6Å; S220-Y225 WeakPolarHBondContact OG-CA 3.34Å; S220-Y225 WeakPolarHBondContact OG-CB 3.44Å; S220-Y225 PolarHBondContact OG-N 3.24Å; S220-Y225 PolarHBondContact OG-O 3.33Å; Y225-L237 HydrophobicContact CG-CD1 4.38Å; Y225-L237 HydrophobicContact CG-CG 4.49Å; Y225-W238 CarbonylContact C-O 3.52Å; Y225-W238 WeakPolarHBondContact CA-O 3.41Å; Y225-W238 WeakPolarHBondContact CB-O 3.32Å; Y225-D239 HydrophobicContact CD1-CB 4.45Å; Y225-L246 HydrophobicContact CD1-CD1 3.74Å; Y225-L246 HydrophobicContact CE1-CD1 3.6Å
226	I	98.7	Very high	98.2	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	144.5	162.3	65.9	169.9	0	0	0	109.6	V184 C192 L206 V217 K218 F219 L237 W238 Y240	V184-I226 HydrophobicContact CG2-CD1 4.3Å; V184-I226 HydrophobicContact CG2-CG2 4.28Å; C192-I226 HydrophobicContact CB-CD1 4.29Å; L206-I226 HydrophobicContact CD1-CD1 3.31Å; L206-I226 HydrophobicContact CD1-CG1 4.26Å; V217-I226 HydrophobicContact CG2-CB 4.21Å; V217-I226 HydrophobicContact CG2-CD1 4.02Å; K218-I226 CarbonylContact O-C 3.55Å; K218-I226 VanDerWaalsContact O-CA 3.28Å; K218-I226 WeakPolarHBondContact O-CA 3.5Å; F219-I226 HydrophobicContact CD1-CG2 3.56Å; F219-I226 HydrophobicContact CE1-CG2 3.66Å; F219-I226 HydrophobicContact CG-CG2 4.21Å; F219-I226 HydrophobicContact CZ-CG2 4.41Å; I226-L237 WeakPolarHBondContact O-CA 3.38Å; I226-W238 HydrophobicContact CD1-CB 4.34Å; I226-W238 HydrophobicContact CG1-CB 3.7Å; I226-W238 HydrophobicContact CG1-CG 4.41Å; I226-W238 PolarHBondContact N-O 3.2Å; I226-W238 PolarHBondContact O-N 3.11Å; I226-Y240 HydrophobicContact CG2-CD1 4.1Å
227	L	98.9	Very high	98.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	123	168.1	179	68.2	0	0	0	107.4	V217 K218 L235 K236 Y249 A261 F263 I271	V217-L227 CarbonylContact C-O 3.45Å; V217-L227 VanDerWaalsContact CA-O 3.28Å; V217-L227 WeakPolarHBondContact CA-O 3.49Å; K218-L227 PolarHBondContact N-O 3.47Å; K218-L227 PolarHBondContact O-N 3.06Å; L227-L235 HydrophobicContact CD1-CB 4.34Å; L227-K236 WeakPolarHBondContact CA-O 3.18Å; L227-Y249 HydrophobicContact CD1-CE2 4.33Å; L227-A261 HydrophobicContact CD2-CB 3.69Å; L227-A261 HydrophobicContact CG-CB 4.43Å; L227-F263 HydrophobicContact CB-CE2 3.64Å; L227-F263 HydrophobicContact CB-CZ 3.57Å; L227-F263 HydrophobicContact CD2-CE2 4.18Å; L227-F263 HydrophobicContact CD2-CZ 4.35Å; L227-F263 HydrophobicContact CG-CZ 4.48Å; L227-I271 HydrophobicContact CD1-CD1 4.27Å; L227-I271 HydrophobicContact CD1-CG2 4.46Å; L227-I271 HydrophobicContact CD2-CD1 4.04Å; L227-I271 HydrophobicContact CD2-CG2 4.13Å
228	A	98.7	Very high	98.2	Very high	4 Å²	4	29.9 Å²	29.9	3%	0.033	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	142	178	0	0	0	0	0	110.4	V214 F216 V217 L235 K236	V214-A228 HydrophobicContact CG1-CB 4.29Å; F216-A228 CarbonylContact O-C 3.46Å; F216-A228 VanDerWaalsContact O-CA 3.28Å; F216-A228 WeakPolarHBondContact O-CA 3.5Å; V217-A228 HydrophobicContact CG2-CB 4.32Å; A228-L235 CarbonylContact O-C 3.54Å; A228-L235 WeakPolarHBondContact O-CA 3.29Å; A228-K236 PolarHBondContact N-O 2.79Å; A228-K236 PolarHBondContact O-N 2.71Å
229	A	98.8	Very high	98.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	138.1	171	0	0	0	0	0	109.7	V214 S215 F216 L235	V214-A229 CarbonylContact C-O 3.53Å; V214-A229 WeakPolarHBondContact CA-O 3.36Å; V214-A229 VanDerWaalsContact CG1-O 3.27Å; V214-A229 WeakPolarHBondContact CG1-O 3.45Å; S215-A229 PolarHBondContact N-O 3.32Å; S215-A229 PolarHBondContact OG-O 3.11Å; F216-A229 HydrophobicContact CB-CB 3.86Å; F216-A229 PolarHBondContact N-O 2.86Å; F216-A229 PolarHBondContact O-N 2.66Å; A229-L235 HydrophobicContact CB-CD2 3.39Å
230	T	98.6	Very high	98	Very high	10 Å²	10	30.6 Å²	30.6	6%	0.061	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	150.2	179.1	41.3	0	0	0	0	110.2	P212 P213 V214 D232 T234	P212-T230 HydrophobicContact CG-CG2 3.85Å; P213-T230 WeakPolarHBondContact O-CA 3.48Å; V214-T230 HydrophobicContact CB-CG2 4.48Å; V214-T230 HydrophobicContact CG2-CG2 3.92Å; T230-D232 WeakPolarHBondContact CB-OD1 3.26Å; T230-D232 PolarHBondContact O-N 2.99Å; T230-D232 PolarHBondContact OG1-OD1 2.92Å; T230-T234 PolarHBondContact N-O 2.92Å; T230-T234 PolarHBondContact OG1-O 2.83Å
231	L	98.4	Very high	97.8	Very high	32 Å²	32	33.8 Å²	33.8	17%	0.168	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	40.5	-180	-63.5	-170	0	0	0	113.3	Y188 P213 S215 N254	Y188-L231 HydrophobicContact CD1-CD1 4.26Å; Y188-L231 HydrophobicContact CE1-CD1 3.92Å; P213-L231 HydrophobicContact CB-CB 4.35Å; P213-L231 HydrophobicContact CB-CD1 4.04Å; P213-L231 HydrophobicContact CB-CG 4.21Å; P213-L231 PolarHBondContact O-N 3.35Å; S215-L231 VanDerWaalsContact CB-CD2 3.42Å; L231-N254 CarbonylContact C-O 3.58Å; L231-N254 WeakPolarHBondContact CA-O 3.35Å
232	D	97.8	Very high	97.7	Very high	53 Å²	53	37.3 Å²	37.3	28%	0.283	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.4	24.6	176.3	68.4	-13.9	0	0	0	110.5	P212 T230 T234	P212-D232 HydrophobicContact CB-CB 4.22Å; P212-D232 HydrophobicContact CG-CB 4.45Å; T230-D232 WeakPolarHBondContact CB-OD1 3.26Å; T230-D232 PolarHBondContact O-N 2.99Å; T230-D232 PolarHBondContact OG1-OD1 2.92Å; D232-T234 VanDerWaalsContact C-N 3.32Å; D232-T234 PolarHBondContact O-N 3Å; D232-T234 PolarHBondContact O-OG1 2.79Å; D232-T234 WeakPolarHBondContact OD1-CB 3.4Å; D232-T234 PolarHBondContact OD1-N 3.1Å; D232-T234 PolarHBondContact OD1-OG1 2.94Å
233	N	98.5	Very high	97.5	Very high	36 Å²	36	35 Å²	35	19%	0.193	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	27.3	-176.8	-49	-73.5	0	0	0	115.1	H252 K253 N254 E255	N233-H252 WeakPolarHBondContact CB-O 3.23Å; N233-H252 PolarHBondContact O-CE1 2.77Å; N233-H252 VanDerWaalsContact O-CE1 3.22Å; N233-K253 VanDerWaalsContact OD1-CA 3.3Å; N233-K253 WeakPolarHBondContact OD1-CA 3.45Å; N233-N254 PolarHBondContact N-O 2.99Å; N233-N254 PolarHBondContact OD1-N 2.94Å; N233-E255 PolarHBondContact ND2-OE1 2.78Å; N233-E255 WeakPolarHBondContact OD1-CG 3.39Å; N233-E255 PolarHBondContact OD1-OE1 3.47Å
234	T	98.3	Very high	97.4	Very high	15 Å²	15	41.2 Å²	41.2	9%	0.092	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	138.3	-172.4	-53.5	0	0	0	0	113.5	T230 D232 K236 T248 T250	T230-T234 PolarHBondContact N-O 2.92Å; T230-T234 PolarHBondContact OG1-O 2.83Å; D232-T234 VanDerWaalsContact C-N 3.32Å; D232-T234 PolarHBondContact O-N 3Å; D232-T234 PolarHBondContact O-OG1 2.79Å; D232-T234 WeakPolarHBondContact OD1-CB 3.4Å; D232-T234 PolarHBondContact OD1-N 3.1Å; D232-T234 PolarHBondContact OD1-OG1 2.94Å; T234-K236 HydrophobicContact CG2-CD 4.38Å; T234-K236 HydrophobicContact CG2-CG 3.8Å; T234-T248 HydrophobicContact CG2-CG2 3.28Å; T234-T250 HydrophobicContact CG2-CG2 4.18Å
235	L	98.8	Very high	97.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	134.6	162.3	-69.5	166.8	0	0	0	109.6	L227 A228 A229 T248 Y249 A261 I271 W283	L227-L235 HydrophobicContact CD1-CB 4.34Å; A228-L235 CarbonylContact O-C 3.54Å; A228-L235 WeakPolarHBondContact O-CA 3.29Å; A229-L235 HydrophobicContact CB-CD2 3.39Å; L235-T248 CarbonylContact O-C 3.55Å; L235-T248 WeakPolarHBondContact O-CA 3.27Å; L235-Y249 HydrophobicContact CB-CD2 4.01Å; L235-Y249 PolarHBondContact N-O 2.98Å; L235-Y249 PolarHBondContact O-N 2.77Å; L235-A261 HydrophobicContact CD1-CB 4.25Å; L235-A261 HydrophobicContact CD2-CB 3.66Å; L235-I271 HydrophobicContact CD1-CG2 3.9Å; L235-W283 HydrophobicContact CD1-CH2 4.15Å; L235-W283 HydrophobicContact CD1-CZ3 4Å
236	K	98.5	Very high	97.4	Very high	28 Å²	28	37.3 Å²	37.3	12%	0.122	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	131.9	179.1	-61.1	-174	-172.8	-176.4	0	111.1	D208 L227 A228 T234 W238 K247 T248	D208-K236 IonicContact OD1-NZ 2.69Å; D208-K236 WeakPolarHBondContact OD2-CD 3.49Å; D208-K236 WeakPolarHBondContact OD2-CE 3.38Å; D208-K236 IonicContact OD2-NZ 3.72Å; D208-K236 PolarHBondContact OD2-NZ 3.05Å; L227-K236 WeakPolarHBondContact CA-O 3.18Å; A228-K236 PolarHBondContact N-O 2.79Å; A228-K236 PolarHBondContact O-N 2.71Å; T234-K236 HydrophobicContact CG2-CD 4.38Å; T234-K236 HydrophobicContact CG2-CG 3.8Å; K236-W238 VanDerWaalsContact CB-NE1 3.29Å; K236-W238 HydrophobicContact CD-CZ2 4.47Å; K236-K247 CarbonylContact C-O 3.56Å; K236-K247 WeakPolarHBondContact CA-O 3.39Å; K236-T248 HydrophobicContact CG-CG2 4.4Å
237	L	98.6	Very high	97.3	Very high	8 Å²	8	40.3 Å²	40.3	4%	0.042	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	121.7	171	-174.3	73.1	0	0	0	108.8	Y225 I226 L246 K247 Y249 F263 L285	Y225-L237 HydrophobicContact CG-CD1 4.38Å; Y225-L237 HydrophobicContact CG-CG 4.49Å; I226-L237 WeakPolarHBondContact O-CA 3.38Å; L237-L246 WeakPolarHBondContact O-CB 3.47Å; L237-L246 PolarHBondContact O-N 2.82Å; L237-K247 HydrophobicContact CB-CB 3.98Å; L237-K247 HydrophobicContact CB-CG 4.48Å; L237-K247 HydrophobicContact CD2-CG 4.17Å; L237-K247 PolarHBondContact N-O 2.84Å; L237-K247 PolarHBondContact O-N 2.91Å; L237-Y249 HydrophobicContact CB-CE2 4.14Å; L237-F263 HydrophobicContact CD1-CE1 3.68Å; L237-F263 HydrophobicContact CD1-CZ 3.6Å; L237-L285 HydrophobicContact CD2-CD1 4.31Å
238	W	98.4	Very high	97.3	Very high	24 Å²	24	43.1 Å²	43.1	9%	0.091	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	139.5	-175.9	-70.2	78.1	0	0	0	112.1	D208 Y225 I226 K236 Y240 K244 C245	D208-W238 HydrophobicContact CB-CH2 4.46Å; D208-W238 HydrophobicContact CB-CZ2 4.21Å; D208-W238 WeakPolarHBondContact OD2-CZ2 3.35Å; Y225-W238 CarbonylContact C-O 3.52Å; Y225-W238 WeakPolarHBondContact CA-O 3.41Å; Y225-W238 WeakPolarHBondContact CB-O 3.32Å; I226-W238 HydrophobicContact CD1-CB 4.34Å; I226-W238 HydrophobicContact CG1-CB 3.7Å; I226-W238 HydrophobicContact CG1-CG 4.41Å; I226-W238 PolarHBondContact N-O 3.2Å; I226-W238 PolarHBondContact O-N 3.11Å; K236-W238 VanDerWaalsContact CB-NE1 3.29Å; K236-W238 HydrophobicContact CD-CZ2 4.47Å; W238-Y240 PolarHBondContact O-N 2.87Å; W238-K244 WeakPolarHBondContact CA-O 3.25Å; W238-C245 HydrophobicContact CD2-CB 3.99Å; W238-C245 HydrophobicContact CE3-CB 4.18Å; W238-C245 HydrophobicContact CH2-CB 4.02Å; W238-C245 HydrophobicContact CZ2-CB 3.82Å; W238-C245 HydrophobicContact CZ3-CB 4.19Å
239	D	97.8	Very high	97.3	Very high	15 Å²	15	42.9 Å²	42.9	8%	0.08	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	98.2	155.9	-174.3	-27.9	0	0	0	107.6	Y225 S241 K242 G243 K244 L246	Y225-D239 HydrophobicContact CD1-CB 4.45Å; D239-S241 PolarHBondContact O-N 3.29Å; D239-S241 WeakPolarHBondContact OD1-CB 3.4Å; D239-S241 PolarHBondContact OD1-N 2.77Å; D239-S241 PolarHBondContact OD1-OG 3.35Å; D239-K242 HydrophobicContact CB-CB 4.32Å; D239-K242 PolarHBondContact O-N 2.85Å; D239-K242 PolarHBondContact OD1-N 2.98Å; D239-K242 VanDerWaalsContact OD1-N 3.12Å; D239-K242 VanDerWaalsContact OD2-CD 3.27Å; D239-K242 WeakPolarHBondContact OD2-CD 3.23Å; D239-K242 WeakPolarHBondContact OD2-CE 3.47Å; D239-K242 IonicContact OD2-NZ 3.83Å; D239-G243 WeakPolarHBondContact O-CA 3.31Å; D239-G243 PolarHBondContact O-N 3.43Å; D239-K244 PolarHBondContact N-O 2.77Å; D239-K244 PolarHBondContact O-N 3.04Å; D239-K244 VanDerWaalsContact O-N 3.16Å; D239-L246 HydrophobicContact CB-CD1 3.96Å; D239-L246 HydrophobicContact CB-CD2 4.1Å; D239-L246 HydrophobicContact CB-CG 4.06Å
240	Y	95.6	Very high	97.3	Very high	42 Å²	42	46.6 Å²	46.6	17%	0.165	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-24.5	-177.5	71.1	-93.6	0	0	0	112.6	L182 I194 K204 F219 G223 K224 I226 W238 K242 G243	L182-Y240 HydrophobicContact CD1-CE2 4.16Å; I194-Y240 VanDerWaalsContact CD1-CB 3.41Å; I194-Y240 HydrophobicContact CD1-CD1 4.37Å; I194-Y240 HydrophobicContact CD1-CD2 3.25Å; I194-Y240 HydrophobicContact CD1-CE2 4.09Å; I194-Y240 HydrophobicContact CD1-CG 3.43Å; I194-Y240 VanDerWaalsContact CD1-CG 3.43Å; K204-Y240 WeakPolarHBondContact CD-O 3.23Å; K204-Y240 PolarHBondContact NZ-O 3.1Å; F219-Y240 HydrophobicContact CD1-CE1 4.12Å; F219-Y240 HydrophobicContact CE1-CD1 4.07Å; F219-Y240 AromaticContact CE1-CE1 3.74Å; F219-Y240 HydrophobicContact CE1-CE1 3.74Å; G223-Y240 VanDerWaalsContact O-CE1 3.26Å; G223-Y240 WeakPolarHBondContact O-CE1 3.48Å; G223-Y240 PolarHBondContact O-OH 3.23Å; K224-Y240 WeakPolarHBondContact O-CD1 3.11Å; K224-Y240 VanDerWaalsContact O-CE1 3.3Å; K224-Y240 WeakPolarHBondContact O-CE1 3.32Å; I226-Y240 HydrophobicContact CG2-CD1 4.1Å; W238-Y240 PolarHBondContact O-N 2.87Å; Y240-K242 VanDerWaalsContact C-N 3.31Å; Y240-K242 PolarHBondContact O-N 3.06Å; Y240-G243 PolarHBondContact O-N 3.31Å
241	S	95.2	Very high	97.3	Very high	72 Å²	72	48.2 Å²	48.2	50%	0.503	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-38.8	177	77	0	0	0	0	110.6	K204 D239	K204-S241 PolarHBondContact NZ-O 3.35Å; D239-S241 PolarHBondContact O-N 3.29Å; D239-S241 WeakPolarHBondContact OD1-CB 3.4Å; D239-S241 PolarHBondContact OD1-N 2.77Å; D239-S241 PolarHBondContact OD1-OG 3.35Å
242	K	94.9	Very high	97.3	Very high	147 Å²	147	47.1 Å²	47.1	64%	0.639	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-14	177.4	-62.5	179.3	-170.3	165.6	0	114	D239 Y240 K244	D239-K242 HydrophobicContact CB-CB 4.32Å; D239-K242 PolarHBondContact O-N 2.85Å; D239-K242 PolarHBondContact OD1-N 2.98Å; D239-K242 VanDerWaalsContact OD1-N 3.12Å; D239-K242 VanDerWaalsContact OD2-CD 3.27Å; D239-K242 WeakPolarHBondContact OD2-CD 3.23Å; D239-K242 WeakPolarHBondContact OD2-CE 3.47Å; D239-K242 IonicContact OD2-NZ 3.83Å; Y240-K242 VanDerWaalsContact C-N 3.31Å; Y240-K242 PolarHBondContact O-N 3.06Å; K242-K244 VanDerWaalsContact C-N 3.33Å; K242-K244 HydrophobicContact CB-CG 4.39Å
243	G	93.4	Very high	97.4	Very high	33 Å²	33	48.6 Å²	48.6	34%	0.34	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	35.7	-174.6	0	0	0	0	0	112.8	D239 Y240	D239-G243 WeakPolarHBondContact O-CA 3.31Å; D239-G243 PolarHBondContact O-N 3.43Å; Y240-G243 PolarHBondContact O-N 3.31Å
244	K	93.8	Very high	97.4	Very high	139 Å²	139	46.9 Å²	46.9	60%	0.604	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.9	133.8	-176.8	-67.7	-168.6	177.6	-170.6	0	112.1	W238 D239 K242	W238-K244 WeakPolarHBondContact CA-O 3.25Å; D239-K244 PolarHBondContact N-O 2.77Å; D239-K244 PolarHBondContact O-N 3.04Å; D239-K244 VanDerWaalsContact O-N 3.16Å; K242-K244 VanDerWaalsContact C-N 3.33Å; K242-K244 HydrophobicContact CB-CG 4.39Å
245	C	95.9	Very high	97.4	Very high	49 Å²	49	50.5 Å²	50.5	33%	0.331	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	128.6	166.3	-175.7	0	0	0	0	109.2	W238	W238-C245 HydrophobicContact CD2-CB 3.99Å; W238-C245 HydrophobicContact CE3-CB 4.18Å; W238-C245 HydrophobicContact CH2-CB 4.02Å; W238-C245 HydrophobicContact CZ2-CB 3.82Å; W238-C245 HydrophobicContact CZ3-CB 4.19Å
246	L	97	Very high	97.4	Very high	76 Å²	76	56.8 Å²	56.8	40%	0.398	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	-38.8	-179	-59.8	-176.8	0	0	0	112.5	Y225 L237 D239	Y225-L246 HydrophobicContact CD1-CD1 3.74Å; Y225-L246 HydrophobicContact CE1-CD1 3.6Å; L237-L246 WeakPolarHBondContact O-CB 3.47Å; L237-L246 PolarHBondContact O-N 2.82Å; D239-L246 HydrophobicContact CB-CD1 3.96Å; D239-L246 HydrophobicContact CB-CD2 4.1Å; D239-L246 HydrophobicContact CB-CG 4.06Å
247	K	98.1	Very high	97.4	Very high	63 Å²	63	58.8 Å²	58.8	27%	0.274	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	146.2	-173.1	-55.3	-72	178.1	168.5	0	109.8	K236 L237 Y249 Q286 K288	K236-K247 CarbonylContact C-O 3.56Å; K236-K247 WeakPolarHBondContact CA-O 3.39Å; L237-K247 HydrophobicContact CB-CB 3.98Å; L237-K247 HydrophobicContact CB-CG 4.48Å; L237-K247 HydrophobicContact CD2-CG 4.17Å; L237-K247 PolarHBondContact N-O 2.84Å; L237-K247 PolarHBondContact O-N 2.91Å; K247-Y249 HydrophobicContact CB-CE2 4.01Å; K247-Q286 PolarHBondContact NZ-O 2.89Å; K247-K288 HydrophobicContact CB-CD 4.44Å; K247-K288 HydrophobicContact CB-CG 4.3Å; K247-K288 HydrophobicContact CD-CD 4.05Å; K247-K288 HydrophobicContact CD-CG 4.02Å
248	T	98.3	Very high	97.4	Very high	59 Å²	59	58.9 Å²	58.9	36%	0.362	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	128.8	178	-51	0	0	0	0	108.1	T234 L235 K236 T250 K288	T234-T248 HydrophobicContact CG2-CG2 3.28Å; L235-T248 CarbonylContact O-C 3.55Å; L235-T248 WeakPolarHBondContact O-CA 3.27Å; K236-T248 HydrophobicContact CG-CG2 4.4Å; T248-T250 HydrophobicContact CG2-CG2 4.05Å; T248-K288 WeakPolarHBondContact O-CD 3.46Å
249	Y	98.7	Very high	97.4	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	124	177.5	-42.8	-93.7	0	0	0	108.8	L227 L235 L237 K247 I271 W283 L285 K288	L227-Y249 HydrophobicContact CD1-CE2 4.33Å; L235-Y249 HydrophobicContact CB-CD2 4.01Å; L235-Y249 PolarHBondContact N-O 2.98Å; L235-Y249 PolarHBondContact O-N 2.77Å; L237-Y249 HydrophobicContact CB-CE2 4.14Å; K247-Y249 HydrophobicContact CB-CE2 4.01Å; Y249-I271 HydrophobicContact CD1-CG1 4.38Å; Y249-I271 HydrophobicContact CD2-CG1 4.32Å; Y249-I271 HydrophobicContact CE1-CG1 3.87Å; Y249-I271 HydrophobicContact CE2-CG1 3.81Å; Y249-W283 HydrophobicContact CD1-CB 3.73Å; Y249-W283 HydrophobicContact CD1-CG 4.02Å; Y249-W283 HydrophobicContact CE1-CB 4.36Å; Y249-W283 HydrophobicContact CG-CG 4.44Å; Y249-L285 PolarHBondContact OH-O 3.49Å; Y249-K288 HydrophobicContact CD1-CB 3.96Å; Y249-K288 HydrophobicContact CD1-CG 4.3Å; Y249-K288 HydrophobicContact CE1-CB 4.19Å; Y249-K288 HydrophobicContact CE1-CG 4.11Å
250	T	98.7	Very high	97.5	Very high	77 Å²	77	58.2 Å²	58.2	47%	0.472	31%	0.305	S	S	.	.			trans	-132.6	177.1	-175.2	57.6	0	0	0	0	110.4	T234 T248 W283	T234-T250 HydrophobicContact CG2-CG2 4.18Å; T248-T250 HydrophobicContact CG2-CG2 4.05Å; T250-W283 PolarHBondContact O-NE1 2.95Å
251	G	98.5	Very high	97.6	Very high	45 Å²	45	56.2 Å²	56.2	46%	0.464	30%	0.297	S	S	.	.	S	Bend	trans	99.3	-4	177.1	0	0	0	0	0	114.7	Y281	G251-Y281 WeakPolarHBondContact O-CE1 3.27Å; G251-Y281 PolarHBondContact O-OH 2.89Å; G251-Y281 VanDerWaalsContact O-OH 3.12Å
252	H	98.7	Very high	97.8	Very high	9 Å²	9	53.4 Å²	53.4	4%	0.042	28%	0.276	C	S	.	.	S	Bend	trans	-91.7	167.7	162.9	70.6	-71.2	0	0	0	109.7	N233 Y281 W283	N233-H252 WeakPolarHBondContact CB-O 3.23Å; N233-H252 PolarHBondContact O-CE1 2.77Å; N233-H252 VanDerWaalsContact O-CE1 3.22Å; H252-Y281 HydrophobicContact CB-CD1 4.05Å; H252-Y281 HydrophobicContact CB-CD2 3.67Å; H252-Y281 HydrophobicContact CB-CE1 4.13Å; H252-Y281 HydrophobicContact CB-CE2 3.77Å; H252-Y281 HydrophobicContact CB-CG 3.84Å; H252-W283 HydrophobicContact CB-CH2 3.81Å; H252-W283 HydrophobicContact CB-CZ2 3.86Å; H252-W283 AromaticContact CG-CH2 3.74Å; H252-W283 AromaticContact CG-CZ2 3.91Å; H252-W283 AromaticContact ND1-CH2 3.58Å; H252-W283 AromaticContact ND1-CZ2 3.5Å; H252-W283 WeakPolarHBondContact ND1-CZ2 3.34Å
253	K	98.8	Very high	98	Very high	83 Å²	83	47.5 Å²	47.5	36%	0.361	25%	0.251	S	S	.	.			trans	-103.2	125.9	171.2	-169.9	80.1	179.2	172.7	0	110.5	N233 E255 S275 E276 D277	N233-K253 VanDerWaalsContact OD1-CA 3.3Å; N233-K253 WeakPolarHBondContact OD1-CA 3.45Å; K253-E255 VanDerWaalsContact CE-CD 3.45Å; K253-E255 WeakPolarHBondContact CE-OE1 3.21Å; K253-E255 VanDerWaalsContact CE-OE2 3.22Å; K253-E255 WeakPolarHBondContact CE-OE2 3.49Å; K253-E255 IonicContact NZ-OE1 3.99Å; K253-E255 PolarHBondContact NZ-OE1 3.49Å; K253-E255 IonicContact NZ-OE2 3.71Å; K253-E255 PolarHBondContact NZ-OE2 3Å; K253-S275 WeakPolarHBondContact CA-OG 3.43Å; K253-S275 PolarHBondContact N-OG 3.11Å; K253-S275 WeakPolarHBondContact O-CA 3.38Å; K253-S275 PolarHBondContact O-OG 3.05Å; K253-E276 HydrophobicContact CB-CB 4.11Å; K253-E276 HydrophobicContact CG-CB 3.85Å; K253-E276 PolarHBondContact O-N 3.01Å; K253-D277 HydrophobicContact CB-CB 4.33Å
254	N	98.8	Very high	98.2	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.235	C	C	.	.			trans	-159.1	95.6	174.5	-171.6	14.1	0	0	0	110.7	S215 L231 N233 Y257 I259	S215-N254 PolarHBondContact OG-ND2 3.41Å; L231-N254 CarbonylContact C-O 3.58Å; L231-N254 WeakPolarHBondContact CA-O 3.35Å; N233-N254 PolarHBondContact N-O 2.99Å; N233-N254 PolarHBondContact OD1-N 2.94Å; N254-Y257 PolarHBondContact OD1-O 3.08Å; N254-I259 HydrophobicContact CB-CD1 4.34Å
255	E	98.5	Very high	98.3	Very high	92 Å²	92	43.4 Å²	43.4	43%	0.43	23%	0.231	S	C	.	.	S	Bend	trans	-125.6	-9.7	-178.5	-73	168.8	-170.8	0	0	112.8	N233 K253 E276	N233-E255 PolarHBondContact ND2-OE1 2.78Å; N233-E255 WeakPolarHBondContact OD1-CG 3.39Å; N233-E255 PolarHBondContact OD1-OE1 3.47Å; K253-E255 VanDerWaalsContact CE-CD 3.45Å; K253-E255 WeakPolarHBondContact CE-OE1 3.21Å; K253-E255 VanDerWaalsContact CE-OE2 3.22Å; K253-E255 WeakPolarHBondContact CE-OE2 3.49Å; K253-E255 IonicContact NZ-OE1 3.99Å; K253-E255 PolarHBondContact NZ-OE1 3.49Å; K253-E255 IonicContact NZ-OE2 3.71Å; K253-E255 PolarHBondContact NZ-OE2 3Å; E255-E276 VanDerWaalsContact N-CD 3.31Å; E255-E276 PolarHBondContact N-OE1 2.91Å; E255-E276 PolarHBondContact N-OE2 2.84Å; E255-E276 VanDerWaalsContact N-OE2 3.13Å
256	K	98.6	Very high	98.2	Very high	132 Å²	132	43.1 Å²	43.1	57%	0.574	23%	0.228	S	C	*	.	S	Bend	trans	-131.3	-41.8	-171.7	-176.4	178.8	177.1	-167.6	0	113.9	E276	K256-E276 WeakPolarHBondContact CA-OE1 3.45Å; K256-E276 WeakPolarHBondContact CB-OE1 3.37Å; K256-E276 PolarHBondContact N-OE1 3.37Å
257	Y	98.8	Very high	97.8	Very high	70 Å²	70	41.1 Å²	41.1	28%	0.275	23%	0.225	S	C	.	.	S	Bend	trans	-102.8	151.6	-167.4	-62	-79	0	0	0	113.9	N254 I259 E276 V300 I302 L318	N254-Y257 PolarHBondContact OD1-O 3.08Å; Y257-I259 VanDerWaalsContact C-N 3.28Å; Y257-I259 PolarHBondContact O-N 3.13Å; Y257-E276 HydrophobicContact CD2-CG 3.98Å; Y257-E276 WeakPolarHBondContact CD2-OE1 3.5Å; Y257-E276 PolarHBondContact N-OE1 3.2Å; Y257-V300 HydrophobicContact CD2-CG1 3.88Å; Y257-V300 HydrophobicContact CD2-CG2 4.23Å; Y257-V300 HydrophobicContact CE2-CB 4.45Å; Y257-V300 HydrophobicContact CE2-CG1 4.28Å; Y257-V300 HydrophobicContact CE2-CG2 3.82Å; Y257-V300 HydrophobicContact CG-CG1 4.42Å; Y257-I302 HydrophobicContact CD1-CD1 4.43Å; Y257-I302 HydrophobicContact CG-CD1 4.28Å; Y257-L318 HydrophobicContact CD1-CD1 3.99Å; Y257-L318 HydrophobicContact CD2-CD1 4.4Å; Y257-L318 HydrophobicContact CE1-CD1 3.56Å; Y257-L318 HydrophobicContact CE2-CD1 3.99Å; Y257-L318 HydrophobicContact CG-CD1 4.39Å
258	C	98.7	Very high	97.5	Very high	9 Å²	9	39.1 Å²	39.1	6%	0.061	22%	0.222	C	C	.	.			trans	-78	78.1	169.7	-68.8	0	0	0	0	111.2	F130 Y188 S215	F130-C258 HydrophobicContact CE1-CB 3.62Å; F130-C258 HydrophobicContact CZ-CB 3.63Å; Y188-C258 PolarHBondContact OH-SG 2.93Å; S215-C258 WeakPolarHBondContact O-CA 3.49Å; S215-C258 WeakPolarHBondContact O-CB 3.38Å; S215-C258 PolarHBondContact O-SG 3.14Å
259	I	98.9	Very high	97.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.233	C	C	.	.			trans	-79.2	128	-178.4	-58.9	-178.3	0	0	0	110.8	F216 N254 Y257 E276 V300 I302	F216-I259 WeakPolarHBondContact CB-O 3.28Å; N254-I259 HydrophobicContact CB-CD1 4.34Å; Y257-I259 VanDerWaalsContact C-N 3.28Å; Y257-I259 PolarHBondContact O-N 3.13Å; I259-E276 HydrophobicContact CD1-CG 3.91Å; I259-V300 HydrophobicContact CD1-CG1 4.28Å; I259-I302 WeakPolarHBondContact CA-O 3.36Å; I259-I302 HydrophobicContact CG1-CD1 4.26Å
260	F	98.8	Very high	97.4	Very high	25 Å²	25	43.1 Å²	43.1	11%	0.11	24%	0.235	C	C	.	.			trans	-70.4	132.8	176.6	-69.7	-99.5	0	0	0	111.8	D89 F216 I302 S303 T304	D89-F260 WeakPolarHBondContact OD1-CZ 3.11Å; F216-F260 AromaticContact CD2-CD1 3.97Å; F216-F260 HydrophobicContact CD2-CD1 3.97Å; F216-F260 HydrophobicContact CD2-CE1 4.42Å; F216-F260 HydrophobicContact CD2-CG 4.38Å; F216-F260 HydrophobicContact CE2-CB 4.37Å; F216-F260 AromaticContact CE2-CD1 3.33Å; F216-F260 HydrophobicContact CE2-CD1 3.33Å; F216-F260 AromaticContact CE2-CE1 3.84Å; F216-F260 HydrophobicContact CE2-CE1 3.84Å; F216-F260 HydrophobicContact CE2-CG 4.08Å; F216-F260 HydrophobicContact CZ-CD1 4.01Å; F260-I302 PolarHBondContact N-O 3.46Å; F260-I302 VanDerWaalsContact N-O 3.16Å; F260-S303 WeakPolarHBondContact CD2-OG 3.36Å; F260-T304 PolarHBondContact O-OG1 2.77Å
261	A	98.8	Very high	97.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	151.6	172.3	0	0	0	0	0	112.2	F216 K218 L227 L235 V272	F216-A261 HydrophobicContact CD1-CB 4.05Å; F216-A261 HydrophobicContact CE1-CB 4.19Å; F216-A261 WeakPolarHBondContact CE1-O 3.28Å; K218-A261 WeakPolarHBondContact CD-O 3.31Å; L227-A261 HydrophobicContact CD2-CB 3.69Å; L227-A261 HydrophobicContact CG-CB 4.43Å; L235-A261 HydrophobicContact CD1-CB 4.25Å; L235-A261 HydrophobicContact CD2-CB 3.66Å; A261-V272 CarbonylContact C-O 3.57Å; A261-V272 VanDerWaalsContact CA-O 3.28Å; A261-V272 WeakPolarHBondContact CA-O 3.28Å
262	N	98.8	Very high	97.4	Very high	13 Å²	13	37.3 Å²	37.3	7%	0.07	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	154.4	-169.9	-65.8	-74.2	0	0	0	113.5	K218 I271 V272 T304	K218-N262 PolarHBondContact NZ-OD1 3.11Å; N262-I271 CarbonylContact O-C 3.56Å; N262-I271 WeakPolarHBondContact O-CA 3.44Å; N262-V272 HydrophobicContact CB-CB 4.39Å; N262-V272 PolarHBondContact N-O 3.19Å; N262-V272 PolarHBondContact O-N 2.87Å; N262-T304 PolarHBondContact ND2-O 2.8Å; N262-T304 PolarHBondContact ND2-OG1 3.34Å
263	F	98.8	Very high	97.4	Very high	23 Å²	23	36.9 Å²	36.9	10%	0.101	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	116.3	163.3	-63.4	-88.8	0	0	0	108.4	K218 S220 P221 L227 L237 V265 W270 I271 L285	K218-F263 HydrophobicContact CD-CD2 4.41Å; K218-F263 HydrophobicContact CG-CE2 4.19Å; S220-F263 VanDerWaalsContact CA-CE2 3.42Å; P221-F263 HydrophobicContact CG-CB 4.13Å; L227-F263 HydrophobicContact CB-CE2 3.64Å; L227-F263 HydrophobicContact CB-CZ 3.57Å; L227-F263 HydrophobicContact CD2-CE2 4.18Å; L227-F263 HydrophobicContact CD2-CZ 4.35Å; L227-F263 HydrophobicContact CG-CZ 4.48Å; L237-F263 HydrophobicContact CD1-CE1 3.68Å; L237-F263 HydrophobicContact CD1-CZ 3.6Å; F263-V265 HydrophobicContact CB-CG1 4.14Å; F263-W270 WeakPolarHBondContact CA-O 3.47Å; F263-I271 HydrophobicContact CD1-CD1 3.58Å; F263-I271 HydrophobicContact CE1-CD1 3.66Å; F263-I271 HydrophobicContact CG-CD1 4.32Å; F263-I271 HydrophobicContact CZ-CD1 4.45Å; F263-L285 HydrophobicContact CD1-CD1 4.06Å; F263-L285 HydrophobicContact CE1-CD1 3.98Å
264	S	97.9	Very high	97.4	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.007	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	124.7	164.7	-166.6	0	0	0	0	108.7	W270	S264-W270 PolarHBondContact N-O 3.03Å; S264-W270 PolarHBondContact O-N 2.86Å; S264-W270 VanDerWaalsContact O-N 3.11Å
265	V	95.9	Very high	97.4	Very high	86 Å²	86	32.9 Å²	32.9	52%	0.521	17%	0.171	S	C	.	.			trans	-132.6	2.5	-172.1	-62.7	0	0	0	0	114.6	P221 F263	P221-V265 HydrophobicContact CG-CG1 4.07Å; F263-V265 HydrophobicContact CB-CG1 4.14Å
266	T	93.6	Very high	97.4	Very high	43 Å²	43	30.2 Å²	30.2	26%	0.264	16%	0.158	S	C	.	.	S	Bend	trans	-82	-44.5	-176.1	43	0	0	0	0	112.2	H307 P308 E310 N311	T266-H307 WeakPolarHBondContact CG2-O 3.28Å; T266-P308 WeakPolarHBondContact CG2-O 3.37Å; T266-E310 PolarHBondContact OG1-O 3.09Å; T266-N311 PolarHBondContact OG1-OD1 3.03Å
267	G	90.3	Very high	97.5	Very high	33 Å²	33	26.6 Å²	26.6	34%	0.34	15%	0.145	S	C	.	.	S	Bend	trans	-105.1	-118.2	169.4	0	0	0	0	0	111.8	N311 C331	G267-N311 WeakPolarHBondContact CA-OD1 3.46Å; G267-N311 PolarHBondContact N-OD1 3.33Å; G267-C331 WeakPolarHBondContact CA-OXT 3.46Å
268	G	90.6	Very high	97.5	Very high	21 Å²	21	25.8 Å²	25.8	22%	0.216	15%	0.145	C	C	.	.	S	Bend	trans	-62.6	161.2	169.1	0	0	0	0	0	113.7	W270 C331	G268-W270 VanDerWaalsContact CA-CE2 3.47Å; G268-W270 VanDerWaalsContact O-CD1 3.25Å; G268-W270 PolarHBondContact O-N 2.93Å; G268-W270 PolarHBondContact O-NE1 3.28Å; G268-C331 PolarHBondContact N-OXT 3.36Å
269	K	96.4	Very high	97.5	Very high	136 Å²	136	27.6 Å²	27.6	59%	0.591	15%	0.154	S	C	*	.			trans	-88	100.5	178.8	-64.2	-171.8	-177.8	-175.8	0	110	L285	K269-L285 HydrophobicContact CB-CB 4.12Å; K269-L285 HydrophobicContact CB-CD2 4.01Å; K269-L285 HydrophobicContact CD-CD2 4.3Å; K269-L285 WeakPolarHBondContact O-CB 3.16Å; K269-L285 PolarHBondContact O-N 3.37Å; K269-L285 VanDerWaalsContact O-N 3.09Å
270	W	98.4	Very high	97.5	Very high	7 Å²	7	27.7 Å²	27.7	3%	0.027	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	150.5	-174.3	-41.2	119.7	0	0	0	112.7	P30 F263 S264 G268 V272 I282 W283 N284 V291	P30-W270 HydrophobicContact CG-CD2 4.44Å; P30-W270 HydrophobicContact CG-CZ2 4.23Å; F263-W270 WeakPolarHBondContact CA-O 3.47Å; S264-W270 PolarHBondContact N-O 3.03Å; S264-W270 PolarHBondContact O-N 2.86Å; S264-W270 VanDerWaalsContact O-N 3.11Å; G268-W270 VanDerWaalsContact CA-CE2 3.47Å; G268-W270 VanDerWaalsContact O-CD1 3.25Å; G268-W270 PolarHBondContact O-N 2.93Å; G268-W270 PolarHBondContact O-NE1 3.28Å; W270-V272 HydrophobicContact CB-CG2 4.45Å; W270-I282 HydrophobicContact CB-CG2 3.65Å; W270-I282 HydrophobicContact CD2-CG2 4.37Å; W270-I282 HydrophobicContact CG-CG2 3.88Å; W270-W283 CarbonylContact C-O 3.6Å; W270-W283 WeakPolarHBondContact CA-O 3.4Å; W270-N284 HydrophobicContact CE3-CB 4.25Å; W270-N284 HydrophobicContact CZ3-CB 3.84Å; W270-V291 HydrophobicContact CD2-CG2 4.42Å; W270-V291 HydrophobicContact CE3-CG2 3.86Å; W270-V291 HydrophobicContact CZ3-CG1 4Å; W270-V291 HydrophobicContact CZ3-CG2 3.98Å
271	I	98.8	Very high	97.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	133.2	157	-61.3	-54.8	0	0	0	107.6	L227 L235 Y249 N262 F263 I282 W283 L285	L227-I271 HydrophobicContact CD1-CD1 4.27Å; L227-I271 HydrophobicContact CD1-CG2 4.46Å; L227-I271 HydrophobicContact CD2-CD1 4.04Å; L227-I271 HydrophobicContact CD2-CG2 4.13Å; L235-I271 HydrophobicContact CD1-CG2 3.9Å; Y249-I271 HydrophobicContact CD1-CG1 4.38Å; Y249-I271 HydrophobicContact CD2-CG1 4.32Å; Y249-I271 HydrophobicContact CE1-CG1 3.87Å; Y249-I271 HydrophobicContact CE2-CG1 3.81Å; N262-I271 CarbonylContact O-C 3.56Å; N262-I271 WeakPolarHBondContact O-CA 3.44Å; F263-I271 HydrophobicContact CD1-CD1 3.58Å; F263-I271 HydrophobicContact CE1-CD1 3.66Å; F263-I271 HydrophobicContact CG-CD1 4.32Å; F263-I271 HydrophobicContact CZ-CD1 4.45Å; I271-I282 CarbonylContact O-C 3.53Å; I271-I282 WeakPolarHBondContact O-CA 3.32Å; I271-W283 HydrophobicContact CB-CB 4.4Å; I271-W283 HydrophobicContact CB-CE3 4.41Å; I271-W283 HydrophobicContact CG2-CE3 4.17Å; I271-W283 PolarHBondContact N-O 3.36Å; I271-W283 PolarHBondContact O-N 3.43Å; I271-L285 HydrophobicContact CD1-CD1 3.43Å; I271-L285 VanDerWaalsContact CD1-CD1 3.43Å; I271-L285 HydrophobicContact CG1-CD1 3.8Å
272	V	98.9	Very high	97.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	132.7	178.3	-178.7	0	0	0	0	108.6	A261 N262 W270 V280 Y281 I282 T304 I313	A261-V272 CarbonylContact C-O 3.57Å; A261-V272 VanDerWaalsContact CA-O 3.28Å; A261-V272 WeakPolarHBondContact CA-O 3.28Å; N262-V272 HydrophobicContact CB-CB 4.39Å; N262-V272 PolarHBondContact N-O 3.19Å; N262-V272 PolarHBondContact O-N 2.87Å; W270-V272 HydrophobicContact CB-CG2 4.45Å; V272-V280 HydrophobicContact CG1-CG1 3.79Å; V272-Y281 WeakPolarHBondContact CA-O 3.35Å; V272-I282 HydrophobicContact CG2-CG1 4.36Å; V272-I282 HydrophobicContact CG2-CG2 4.32Å; V272-T304 HydrophobicContact CG1-CG2 4.44Å; V272-I313 HydrophobicContact CG1-CD1 3.98Å; V272-I313 HydrophobicContact CG1-CG2 4.34Å; V272-I313 HydrophobicContact CG2-CD1 3.92Å
273	S	98.9	Very high	97.5	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	151.1	174.2	-173.4	0	0	0	0	110.5	V280 Y281	S273-V280 WeakPolarHBondContact O-CA 3.2Å; S273-Y281 PolarHBondContact N-O 2.86Å; S273-Y281 PolarHBondContact O-N 2.92Å
274	G	98.9	Very high	97.5	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.147	C	C	.	.			trans	-72.3	179	160.6	0	0	0	0	0	111.3	M279 V301	G274-M279 CarbonylContact C-O 3.56Å; G274-V301 WeakPolarHBondContact CA-O 3.35Å
275	S	98.9	Very high	97.5	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.152	C	C	.	.			trans	-155.4	155.3	177.2	-172.2	0	0	0	0	111.7	K253 D277 N278 M279 V301	K253-S275 WeakPolarHBondContact CA-OG 3.43Å; K253-S275 PolarHBondContact N-OG 3.11Å; K253-S275 WeakPolarHBondContact O-CA 3.38Å; K253-S275 PolarHBondContact O-OG 3.05Å; S275-D277 WeakPolarHBondContact CB-OD1 3.42Å; S275-D277 PolarHBondContact O-N 3.05Å; S275-D277 PolarHBondContact OG-OD1 3.11Å; S275-D277 VanDerWaalsContact OG-OD1 3.11Å; S275-N278 PolarHBondContact O-N 2.57Å; S275-M279 WeakPolarHBondContact CB-O 3.39Å; S275-M279 PolarHBondContact N-O 2.92Å; S275-M279 VanDerWaalsContact N-O 3.1Å; S275-V301 PolarHBondContact N-O 2.74Å; S275-V301 PolarHBondContact O-N 2.91Å
276	E	98.9	Very high	97.5	Very high	35 Å²	35	27.5 Å²	27.5	16%	0.164	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-9.3	174.7	-58.1	179.8	171.4	0	0	113.8	K253 E255 K256 Y257 I259 V300	K253-E276 HydrophobicContact CB-CB 4.11Å; K253-E276 HydrophobicContact CG-CB 3.85Å; K253-E276 PolarHBondContact O-N 3.01Å; E255-E276 VanDerWaalsContact N-CD 3.31Å; E255-E276 PolarHBondContact N-OE1 2.91Å; E255-E276 PolarHBondContact N-OE2 2.84Å; E255-E276 VanDerWaalsContact N-OE2 3.13Å; K256-E276 WeakPolarHBondContact CA-OE1 3.45Å; K256-E276 WeakPolarHBondContact CB-OE1 3.37Å; K256-E276 PolarHBondContact N-OE1 3.37Å; Y257-E276 HydrophobicContact CD2-CG 3.98Å; Y257-E276 WeakPolarHBondContact CD2-OE1 3.5Å; Y257-E276 PolarHBondContact N-OE1 3.2Å; I259-E276 HydrophobicContact CD1-CG 3.91Å; E276-V300 HydrophobicContact CB-CG1 4.46Å; E276-V300 HydrophobicContact CB-CG2 4.24Å; E276-V300 HydrophobicContact CG-CG1 4.09Å; E276-V300 HydrophobicContact CG-CG2 4.47Å
277	D	98.8	Very high	97.7	Very high	57 Å²	57	28.7 Å²	28.7	31%	0.305	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	14.6	171.9	71.4	2.5	0	0	0	113.3	K253 S275 M279 Y281	K253-D277 HydrophobicContact CB-CB 4.33Å; S275-D277 WeakPolarHBondContact CB-OD1 3.42Å; S275-D277 PolarHBondContact O-N 3.05Å; S275-D277 PolarHBondContact OG-OD1 3.11Å; S275-D277 VanDerWaalsContact OG-OD1 3.11Å; D277-M279 PolarHBondContact O-N 2.92Å; D277-M279 WeakPolarHBondContact OD1-CB 3.27Å; D277-M279 PolarHBondContact OD1-N 2.86Å; D277-Y281 WeakPolarHBondContact OD1-CE2 3.37Å; D277-Y281 VanDerWaalsContact OD2-CE2 3.32Å; D277-Y281 WeakPolarHBondContact OD2-CE2 3.34Å; D277-Y281 PolarHBondContact OD2-OH 2.95Å
278	N	98.8	Very high	98.1	Very high	52 Å²	52	32 Å²	32	28%	0.278	16%	0.161	S	C	.	.	S	Bend	trans	69.2	11.9	178.5	-44.7	-18	0	0	0	114.7	S275 D299 V300	S275-N278 PolarHBondContact O-N 2.57Å; N278-D299 WeakPolarHBondContact CB-O 3.39Å; N278-D299 VanDerWaalsContact CG-C 3.43Å; N278-D299 WeakPolarHBondContact OD1-CA 3.16Å; N278-D299 PolarHBondContact OD1-O 3.26Å; N278-V300 PolarHBondContact OD1-N 3.24Å; N278-V300 VanDerWaalsContact OD1-N 3.14Å
279	M	98.8	Very high	98.4	Very high	48 Å²	48	36.8 Å²	36.8	24%	0.236	18%	0.178	C	C	.	.			trans	-103.4	156.3	177.1	-57.3	-168.7	-177.9	0	0	113	G274 S275 D277 Y281 K293 L294	G274-M279 CarbonylContact C-O 3.56Å; S275-M279 WeakPolarHBondContact CB-O 3.39Å; S275-M279 PolarHBondContact N-O 2.92Å; S275-M279 VanDerWaalsContact N-O 3.1Å; D277-M279 PolarHBondContact O-N 2.92Å; D277-M279 WeakPolarHBondContact OD1-CB 3.27Å; D277-M279 PolarHBondContact OD1-N 2.86Å; M279-Y281 HydrophobicContact CB-CD2 4.15Å; M279-Y281 HydrophobicContact CB-CE2 3.8Å; M279-K293 HydrophobicContact SD-CB 4.05Å; M279-K293 HydrophobicContact SD-CD 3.9Å; M279-L294 WeakPolarHBondContact CA-O 3.26Å
280	V	98.9	Very high	98.5	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.006	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	129.4	160.5	179	0	0	0	0	108.1	V272 S273 K293 L294 V301 T304	V272-V280 HydrophobicContact CG1-CG1 3.79Å; S273-V280 WeakPolarHBondContact O-CA 3.2Å; V280-K293 CarbonylContact O-C 3.58Å; V280-K293 WeakPolarHBondContact O-CA 3.3Å; V280-L294 HydrophobicContact CB-CB 3.93Å; V280-L294 HydrophobicContact CB-CD1 3.97Å; V280-L294 HydrophobicContact CB-CG 3.96Å; V280-L294 HydrophobicContact CG1-CD1 4Å; V280-L294 HydrophobicContact CG1-CG 4.29Å; V280-L294 PolarHBondContact N-O 2.8Å; V280-L294 PolarHBondContact O-N 3.11Å; V280-V301 HydrophobicContact CG2-CG1 3.99Å; V280-T304 HydrophobicContact CG1-CG2 4.11Å; V280-T304 HydrophobicContact CG2-CG2 4.13Å
281	Y	98.9	Very high	98.5	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.016	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	140.1	177	-78.7	-108.8	0	0	0	111.1	G251 H252 V272 S273 D277 M279 W283 I290 K293	G251-Y281 WeakPolarHBondContact O-CE1 3.27Å; G251-Y281 PolarHBondContact O-OH 2.89Å; G251-Y281 VanDerWaalsContact O-OH 3.12Å; H252-Y281 HydrophobicContact CB-CD1 4.05Å; H252-Y281 HydrophobicContact CB-CD2 3.67Å; H252-Y281 HydrophobicContact CB-CE1 4.13Å; H252-Y281 HydrophobicContact CB-CE2 3.77Å; H252-Y281 HydrophobicContact CB-CG 3.84Å; V272-Y281 WeakPolarHBondContact CA-O 3.35Å; S273-Y281 PolarHBondContact N-O 2.86Å; S273-Y281 PolarHBondContact O-N 2.92Å; D277-Y281 WeakPolarHBondContact OD1-CE2 3.37Å; D277-Y281 VanDerWaalsContact OD2-CE2 3.32Å; D277-Y281 WeakPolarHBondContact OD2-CE2 3.34Å; D277-Y281 PolarHBondContact OD2-OH 2.95Å; M279-Y281 HydrophobicContact CB-CD2 4.15Å; M279-Y281 HydrophobicContact CB-CE2 3.8Å; Y281-W283 HydrophobicContact CD1-CH2 4.06Å; Y281-W283 AromaticContact CD1-CZ2 3.68Å; Y281-W283 HydrophobicContact CD1-CZ2 3.68Å; Y281-W283 AromaticContact CG-CH2 3.71Å; Y281-W283 HydrophobicContact CG-CH2 3.71Å; Y281-W283 AromaticContact CG-CZ2 3.84Å; Y281-W283 HydrophobicContact CG-CZ2 3.84Å; Y281-W283 HydrophobicContact CG-CZ3 4.34Å; Y281-W283 WeakPolarHBondContact O-CZ3 3.26Å; Y281-I290 HydrophobicContact CD1-CD1 3.95Å; Y281-I290 HydrophobicContact CD1-CG1 4.23Å; Y281-I290 HydrophobicContact CD1-CG2 4.31Å; Y281-I290 HydrophobicContact CE1-CD1 3.89Å; Y281-K293 HydrophobicContact CD1-CD 4.28Å; Y281-K293 HydrophobicContact CD1-CG 4.11Å; Y281-K293 HydrophobicContact CE1-CD 3.66Å; Y281-K293 HydrophobicContact CE1-CG 4.01Å; Y281-K293 VanDerWaalsContact CE1-NZ 3.34Å; Y281-K293 PolarHBondContact OH-NZ 3.02Å
282	I	98.8	Very high	98.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	122.3	176	-50.1	-176.3	0	0	0	108.4	P30 Y32 W270 I271 V272 V291 Q292 L294 I313	P30-I282 HydrophobicContact CG-CG2 4.15Å; Y32-I282 HydrophobicContact CD2-CD1 3.35Å; Y32-I282 HydrophobicContact CE2-CD1 3.85Å; Y32-I282 HydrophobicContact CG-CD1 4.08Å; W270-I282 HydrophobicContact CB-CG2 3.65Å; W270-I282 HydrophobicContact CD2-CG2 4.37Å; W270-I282 HydrophobicContact CG-CG2 3.88Å; I271-I282 CarbonylContact O-C 3.53Å; I271-I282 WeakPolarHBondContact O-CA 3.32Å; V272-I282 HydrophobicContact CG2-CG1 4.36Å; V272-I282 HydrophobicContact CG2-CG2 4.32Å; I282-V291 HydrophobicContact CB-CG2 4.13Å; I282-V291 HydrophobicContact CG2-CG2 3.72Å; I282-V291 WeakPolarHBondContact O-CG2 3.49Å; I282-V291 PolarHBondContact O-N 3.22Å; I282-Q292 HydrophobicContact CB-CB 4.23Å; I282-Q292 HydrophobicContact CD1-CB 4.26Å; I282-Q292 HydrophobicContact CG1-CB 4.48Å; I282-Q292 PolarHBondContact N-O 2.79Å; I282-Q292 PolarHBondContact O-N 2.98Å; I282-L294 HydrophobicContact CD1-CD1 4.26Å; I282-L294 HydrophobicContact CD1-CD2 4.27Å; I282-L294 HydrophobicContact CD1-CG 4.37Å; I282-I313 HydrophobicContact CD1-CD1 3.72Å; I282-I313 HydrophobicContact CG1-CD1 4.45Å
283	W	98.8	Very high	98.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	147.3	177.6	-61.8	-101.6	0	0	0	111.6	L235 Y249 T250 H252 W270 I271 Y281 L285 E289 I290	L235-W283 HydrophobicContact CD1-CH2 4.15Å; L235-W283 HydrophobicContact CD1-CZ3 4Å; Y249-W283 HydrophobicContact CD1-CB 3.73Å; Y249-W283 HydrophobicContact CD1-CG 4.02Å; Y249-W283 HydrophobicContact CE1-CB 4.36Å; Y249-W283 HydrophobicContact CG-CG 4.44Å; T250-W283 PolarHBondContact O-NE1 2.95Å; H252-W283 HydrophobicContact CB-CH2 3.81Å; H252-W283 HydrophobicContact CB-CZ2 3.86Å; H252-W283 AromaticContact CG-CH2 3.74Å; H252-W283 AromaticContact CG-CZ2 3.91Å; H252-W283 AromaticContact ND1-CH2 3.58Å; H252-W283 AromaticContact ND1-CZ2 3.5Å; H252-W283 WeakPolarHBondContact ND1-CZ2 3.34Å; W270-W283 CarbonylContact C-O 3.6Å; W270-W283 WeakPolarHBondContact CA-O 3.4Å; I271-W283 HydrophobicContact CB-CB 4.4Å; I271-W283 HydrophobicContact CB-CE3 4.41Å; I271-W283 HydrophobicContact CG2-CE3 4.17Å; I271-W283 PolarHBondContact N-O 3.36Å; I271-W283 PolarHBondContact O-N 3.43Å; Y281-W283 HydrophobicContact CD1-CH2 4.06Å; Y281-W283 AromaticContact CD1-CZ2 3.68Å; Y281-W283 HydrophobicContact CD1-CZ2 3.68Å; Y281-W283 AromaticContact CG-CH2 3.71Å; Y281-W283 HydrophobicContact CG-CH2 3.71Å; Y281-W283 AromaticContact CG-CZ2 3.84Å; Y281-W283 HydrophobicContact CG-CZ2 3.84Å; Y281-W283 HydrophobicContact CG-CZ3 4.34Å; Y281-W283 WeakPolarHBondContact O-CZ3 3.26Å; W283-L285 PolarHBondContact O-N 3.45Å; W283-E289 CarbonylContact C-O 3.56Å; W283-E289 VanDerWaalsContact CA-O 3.24Å; W283-E289 WeakPolarHBondContact CA-O 3.28Å; W283-I290 VanDerWaalsContact CD1-CG1 3.46Å; W283-I290 HydrophobicContact CG-CG1 4.33Å
284	N	98.3	Very high	98.5	Very high	22 Å²	22	40.5 Å²	40.5	12%	0.118	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	122.8	163	-172.8	-60.4	0	0	0	110.4	W270 Q286 T287 K288 E289 V291	W270-N284 HydrophobicContact CE3-CB 4.25Å; W270-N284 HydrophobicContact CZ3-CB 3.84Å; N284-Q286 PolarHBondContact O-N 2.84Å; N284-Q286 VanDerWaalsContact O-N 3.14Å; N284-Q286 WeakPolarHBondContact OD1-CA 3.47Å; N284-Q286 PolarHBondContact OD1-N 3.04Å; N284-T287 WeakPolarHBondContact CB-OG1 3.34Å; N284-T287 VanDerWaalsContact CG-OG1 3.29Å; N284-T287 PolarHBondContact OD1-N 2.75Å; N284-K288 VanDerWaalsContact O-CA 3.23Å; N284-K288 WeakPolarHBondContact O-CA 3.48Å; N284-K288 PolarHBondContact O-N 3.42Å; N284-E289 PolarHBondContact N-O 2.86Å; N284-V291 HydrophobicContact CB-CG1 3.9Å
285	L	97.9	Very high	98.5	Very high	22 Å²	22	48.1 Å²	48.1	12%	0.115	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-34.7	-179.8	-175.8	80.6	0	0	0	112.7	L237 Y249 F263 K269 I271 W283	L237-L285 HydrophobicContact CD2-CD1 4.31Å; Y249-L285 PolarHBondContact OH-O 3.49Å; F263-L285 HydrophobicContact CD1-CD1 4.06Å; F263-L285 HydrophobicContact CE1-CD1 3.98Å; K269-L285 HydrophobicContact CB-CB 4.12Å; K269-L285 HydrophobicContact CB-CD2 4.01Å; K269-L285 HydrophobicContact CD-CD2 4.3Å; K269-L285 WeakPolarHBondContact O-CB 3.16Å; K269-L285 PolarHBondContact O-N 3.37Å; K269-L285 VanDerWaalsContact O-N 3.09Å; I271-L285 HydrophobicContact CD1-CD1 3.43Å; I271-L285 VanDerWaalsContact CD1-CD1 3.43Å; I271-L285 HydrophobicContact CG1-CD1 3.8Å; W283-L285 PolarHBondContact O-N 3.45Å
286	Q	96.8	Very high	98.4	Very high	97 Å²	97	49.6 Å²	49.6	45%	0.453	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-46.6	-173.3	-45.9	-47.1	5	0	0	114	K247 N284 K288	K247-Q286 PolarHBondContact NZ-O 2.89Å; N284-Q286 PolarHBondContact O-N 2.84Å; N284-Q286 VanDerWaalsContact O-N 3.14Å; N284-Q286 WeakPolarHBondContact OD1-CA 3.47Å; N284-Q286 PolarHBondContact OD1-N 3.04Å; Q286-K288 VanDerWaalsContact C-N 3.33Å
287	T	97.6	Very high	98.4	Very high	67 Å²	67	48.6 Å²	48.6	41%	0.411	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-21	-178.9	69.2	0	0	0	0	111.8	N284 E289	N284-T287 WeakPolarHBondContact CB-OG1 3.34Å; N284-T287 VanDerWaalsContact CG-OG1 3.29Å; N284-T287 PolarHBondContact OD1-N 2.75Å; T287-E289 PolarHBondContact O-N 3.12Å; T287-E289 PolarHBondContact OG1-N 2.91Å; T287-E289 PolarHBondContact OG1-OE2 2.58Å
288	K	98.4	Very high	98.4	Very high	102 Å²	102	50.4 Å²	50.4	44%	0.443	26%	0.258	S	S	.	.			trans	68	6.4	-176	-44.1	156.7	-71.4	169.4	0	113.7	K247 T248 Y249 N284 Q286	K247-K288 HydrophobicContact CB-CD 4.44Å; K247-K288 HydrophobicContact CB-CG 4.3Å; K247-K288 HydrophobicContact CD-CD 4.05Å; K247-K288 HydrophobicContact CD-CG 4.02Å; T248-K288 WeakPolarHBondContact O-CD 3.46Å; Y249-K288 HydrophobicContact CD1-CB 3.96Å; Y249-K288 HydrophobicContact CD1-CG 4.3Å; Y249-K288 HydrophobicContact CE1-CB 4.19Å; Y249-K288 HydrophobicContact CE1-CG 4.11Å; N284-K288 VanDerWaalsContact O-CA 3.23Å; N284-K288 WeakPolarHBondContact O-CA 3.48Å; N284-K288 PolarHBondContact O-N 3.42Å; Q286-K288 VanDerWaalsContact C-N 3.33Å
289	E	98.2	Very high	98.4	Very high	123 Å²	123	48.9 Å²	48.9	58%	0.575	25%	0.25	S	S	*	.			trans	-74	141.1	178.7	-65.3	174.1	155.8	0	0	110.3	W283 N284 T287 V291	W283-E289 CarbonylContact C-O 3.56Å; W283-E289 VanDerWaalsContact CA-O 3.24Å; W283-E289 WeakPolarHBondContact CA-O 3.28Å; N284-E289 PolarHBondContact N-O 2.86Å; T287-E289 PolarHBondContact O-N 3.12Å; T287-E289 PolarHBondContact OG1-N 2.91Å; T287-E289 PolarHBondContact OG1-OE2 2.58Å; E289-V291 PolarHBondContact O-N 2.82Å
290	I	98.6	Very high	98.4	Very high	59 Å²	59	47.1 Å²	47.1	30%	0.303	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	115.7	167.4	-62.4	164.3	0	0	0	107.3	Y281 W283 K293	Y281-I290 HydrophobicContact CD1-CD1 3.95Å; Y281-I290 HydrophobicContact CD1-CG1 4.23Å; Y281-I290 HydrophobicContact CD1-CG2 4.31Å; Y281-I290 HydrophobicContact CE1-CD1 3.89Å; W283-I290 VanDerWaalsContact CD1-CG1 3.46Å; W283-I290 HydrophobicContact CG-CG1 4.33Å; I290-K293 HydrophobicContact CG2-CG 3.83Å
291	V	98.3	Very high	98.4	Very high	18 Å²	18	47 Å²	47	11%	0.109	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-24.6	179.1	-65.4	0	0	0	0	112.2	K29 P30 W270 I282 N284 E289	K29-V291 HydrophobicContact CG-CB 4.28Å; K29-V291 HydrophobicContact CG-CG1 4.46Å; P30-V291 HydrophobicContact CG-CG2 3.78Å; W270-V291 HydrophobicContact CD2-CG2 4.42Å; W270-V291 HydrophobicContact CE3-CG2 3.86Å; W270-V291 HydrophobicContact CZ3-CG1 4Å; W270-V291 HydrophobicContact CZ3-CG2 3.98Å; I282-V291 HydrophobicContact CB-CG2 4.13Å; I282-V291 HydrophobicContact CG2-CG2 3.72Å; I282-V291 WeakPolarHBondContact O-CG2 3.49Å; I282-V291 PolarHBondContact O-N 3.22Å; N284-V291 HydrophobicContact CB-CG1 3.9Å; E289-V291 PolarHBondContact O-N 2.82Å
292	Q	98.5	Very high	98.4	Very high	38 Å²	38	47.6 Å²	47.6	18%	0.178	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	148.1	175.9	-153.5	179.5	-3.4	0	0	111.3	P30 Y32 I282 L294	P30-Q292 HydrophobicContact CG-CB 4.46Å; P30-Q292 PolarHBondContact O-OE1 2.89Å; P30-Q292 VanDerWaalsContact O-OE1 3.11Å; Y32-Q292 VanDerWaalsContact N-NE2 3.17Å; Y32-Q292 PolarHBondContact O-NE2 2.72Å; I282-Q292 HydrophobicContact CB-CB 4.23Å; I282-Q292 HydrophobicContact CD1-CB 4.26Å; I282-Q292 HydrophobicContact CG1-CB 4.48Å; I282-Q292 PolarHBondContact N-O 2.79Å; I282-Q292 PolarHBondContact O-N 2.98Å; Q292-L294 VanDerWaalsContact CD-CD2 3.47Å; Q292-L294 HydrophobicContact CG-CD2 3.83Å
293	K	98.7	Very high	98.4	Very high	100 Å²	100	47.6 Å²	47.6	44%	0.435	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	129.4	165.4	-57.8	-171	-174.5	-160.6	0	108.4	M279 V280 Y281 I290	M279-K293 HydrophobicContact SD-CB 4.05Å; M279-K293 HydrophobicContact SD-CD 3.9Å; V280-K293 CarbonylContact O-C 3.58Å; V280-K293 WeakPolarHBondContact O-CA 3.3Å; Y281-K293 HydrophobicContact CD1-CD 4.28Å; Y281-K293 HydrophobicContact CD1-CG 4.11Å; Y281-K293 HydrophobicContact CE1-CD 3.66Å; Y281-K293 HydrophobicContact CE1-CG 4.01Å; Y281-K293 VanDerWaalsContact CE1-NZ 3.34Å; Y281-K293 PolarHBondContact OH-NZ 3.02Å; I290-K293 HydrophobicContact CG2-CG 3.83Å
294	L	98.8	Very high	98.5	Very high	6 Å²	6	47.6 Å²	47.6	3%	0.031	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	120.4	179.3	-38.4	-178.7	0	0	0	109	M279 V280 I282 Q292 W327	M279-L294 WeakPolarHBondContact CA-O 3.26Å; V280-L294 HydrophobicContact CB-CB 3.93Å; V280-L294 HydrophobicContact CB-CD1 3.97Å; V280-L294 HydrophobicContact CB-CG 3.96Å; V280-L294 HydrophobicContact CG1-CD1 4Å; V280-L294 HydrophobicContact CG1-CG 4.29Å; V280-L294 PolarHBondContact N-O 2.8Å; V280-L294 PolarHBondContact O-N 3.11Å; I282-L294 HydrophobicContact CD1-CD1 4.26Å; I282-L294 HydrophobicContact CD1-CD2 4.27Å; I282-L294 HydrophobicContact CD1-CG 4.37Å; Q292-L294 VanDerWaalsContact CD-CD2 3.47Å; Q292-L294 HydrophobicContact CG-CD2 3.83Å; L294-W327 HydrophobicContact CB-CD2 4.2Å; L294-W327 HydrophobicContact CB-CE3 3.89Å; L294-W327 HydrophobicContact CB-CH2 3.87Å; L294-W327 HydrophobicContact CB-CZ2 4.16Å; L294-W327 HydrophobicContact CB-CZ3 3.73Å; L294-W327 HydrophobicContact CD1-CB 4.07Å; L294-W327 HydrophobicContact CD1-CD2 3.6Å; L294-W327 HydrophobicContact CD1-CE3 3.88Å; L294-W327 HydrophobicContact CD1-CG 3.68Å; L294-W327 HydrophobicContact CG-CD2 4.49Å; L294-W327 HydrophobicContact CG-CE3 4.36Å
295	Q	98.5	Very high	98.5	Very high	160 Å²	160	46.8 Å²	46.8	75%	0.748	24%	0.241	S	C	*	.			trans	-104.1	139.3	178.2	-174.4	177.7	7	0	0	109.9	W327	Q295-W327 WeakPolarHBondContact O-CH2 3.17Å
296	G	98.1	Very high	98.5	Very high	31 Å²	31	46.9 Å²	46.9	32%	0.32	24%	0.243	S	C	.	.			trans	160.9	-16.6	171.5	0	0	0	0	0	115.1	K325	G296-K325 VanDerWaalsContact C-CE 3.44Å; G296-K325 WeakPolarHBondContact O-CE 3.37Å; G296-K325 PolarHBondContact O-NZ 2.89Å; G296-K325 VanDerWaalsContact O-NZ 3.13Å
297	H	98.8	Very high	98.6	Very high	13 Å²	13	42.5 Å²	42.5	6%	0.06	22%	0.223	C	C	.	.			trans	-79.9	154	170.2	-77.5	-69.6	0	0	0	111.4	V301 S315 A317 D321 T323 K325	H297-V301 HydrophobicContact CB-CG2 3.86Å; H297-S315 PolarHBondContact CD2-OG 2.78Å; H297-S315 PolarHBondContact NE2-O 3.34Å; H297-S315 PolarHBondContact NE2-OG 2.84Å; H297-A317 HydrophobicContact CB-CB 4.16Å; H297-A317 WeakPolarHBondContact ND1-CB 3.4Å; H297-D321 WeakPolarHBondContact CA-OD2 3.45Å; H297-D321 WeakPolarHBondContact CB-OD2 3.47Å; H297-D321 IonicContact CE1-OD1 3.13Å; H297-D321 IonicContact CG-OD2 3.23Å; H297-D321 IonicContact ND1-OD1 3.37Å; H297-D321 PolarHBondContact ND1-OD1 2.78Å; H297-D321 IonicContact ND1-OD2 2.79Å; H297-D321 PolarHBondContact ND1-OD2 3.24Å; H297-T323 PolarHBondContact CE1-O 2.91Å; H297-K325 WeakPolarHBondContact ND1-CE 3.34Å
298	T	98.7	Very high	98.7	Very high	95 Å²	95	41.9 Å²	41.9	58%	0.583	22%	0.22	S	C	*	.	S	Bend	trans	-111.2	4	-178.8	58.2	0	0	0	0	113.4	D321	T298-D321 PolarHBondContact N-OD2 3.49Å; T298-D321 WeakPolarHBondContact OG1-CB 3.22Å; T298-D321 PolarHBondContact OG1-OD2 3.44Å
299	D	98.8	Very high	98.6	Very high	21 Å²	21	41 Å²	41	11%	0.112	22%	0.223	C	C	.	.	S	Bend	trans	-147.5	174.4	174.4	-154.4	-16.9	0	0	0	109	N278 V301 L318 E319 N320 D321	N278-D299 WeakPolarHBondContact CB-O 3.39Å; N278-D299 VanDerWaalsContact CG-C 3.43Å; N278-D299 WeakPolarHBondContact OD1-CA 3.16Å; N278-D299 PolarHBondContact OD1-O 3.26Å; D299-V301 PolarHBondContact O-N 3.46Å; D299-L318 HydrophobicContact CB-CB 4.41Å; D299-E319 PolarHBondContact OD2-N 2.81Å; D299-N320 HydrophobicContact CB-CB 4.04Å; D299-N320 VanDerWaalsContact OD2-CB 3.23Å; D299-N320 WeakPolarHBondContact OD2-CB 3.21Å; D299-N320 PolarHBondContact OD2-N 3.3Å; D299-N320 PolarHBondContact OD2-ND2 2.55Å; D299-D321 HydrophobicContact CB-CB 3.81Å
300	V	98.9	Very high	98.6	Very high	10 Å²	10	39.6 Å²	39.6	6%	0.061	22%	0.216	C	C	.	.			trans	-48.5	127.8	-179.7	174.8	0	0	0	0	110.4	Y257 I259 E276 N278 I302 A317 L318	Y257-V300 HydrophobicContact CD2-CG1 3.88Å; Y257-V300 HydrophobicContact CD2-CG2 4.23Å; Y257-V300 HydrophobicContact CE2-CB 4.45Å; Y257-V300 HydrophobicContact CE2-CG1 4.28Å; Y257-V300 HydrophobicContact CE2-CG2 3.82Å; Y257-V300 HydrophobicContact CG-CG1 4.42Å; I259-V300 HydrophobicContact CD1-CG1 4.28Å; E276-V300 HydrophobicContact CB-CG1 4.46Å; E276-V300 HydrophobicContact CB-CG2 4.24Å; E276-V300 HydrophobicContact CG-CG1 4.09Å; E276-V300 HydrophobicContact CG-CG2 4.47Å; N278-V300 PolarHBondContact OD1-N 3.24Å; N278-V300 VanDerWaalsContact OD1-N 3.14Å; V300-I302 PolarHBondContact O-N 2.68Å; V300-I302 VanDerWaalsContact O-N 3.16Å; V300-A317 WeakPolarHBondContact O-CA 3.48Å; V300-A317 WeakPolarHBondContact O-CB 3.13Å; V300-L318 HydrophobicContact CB-CD1 3.67Å; V300-L318 HydrophobicContact CB-CG 3.95Å; V300-L318 HydrophobicContact CG1-CD1 4.06Å; V300-L318 HydrophobicContact CG1-CG 4.39Å; V300-L318 HydrophobicContact CG2-CD1 4.14Å; V300-L318 PolarHBondContact O-N 3.16Å; V300-L318 VanDerWaalsContact O-N 3.11Å
301	V	98.9	Very high	98.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	95.6	173	-175.9	0	0	0	0	108	G274 S275 V280 H297 D299 T304 A316	G274-V301 WeakPolarHBondContact CA-O 3.35Å; S275-V301 PolarHBondContact N-O 2.74Å; S275-V301 PolarHBondContact O-N 2.91Å; V280-V301 HydrophobicContact CG2-CG1 3.99Å; H297-V301 HydrophobicContact CB-CG2 3.86Å; D299-V301 PolarHBondContact O-N 3.46Å; V301-T304 HydrophobicContact CG1-CG2 4.04Å; V301-A316 CarbonylContact C-O 3.56Å; V301-A316 WeakPolarHBondContact CA-O 3.3Å
302	I	98.9	Very high	98.6	Very high	15 Å²	15	37.5 Å²	37.5	8%	0.077	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	-31.7	-174.5	-172.6	61.6	0	0	0	112.8	V45 Y257 I259 F260 V300 A316 L318	V45-I302 WeakPolarHBondContact O-CG2 3.44Å; Y257-I302 HydrophobicContact CD1-CD1 4.43Å; Y257-I302 HydrophobicContact CG-CD1 4.28Å; I259-I302 WeakPolarHBondContact CA-O 3.36Å; I259-I302 HydrophobicContact CG1-CD1 4.26Å; F260-I302 PolarHBondContact N-O 3.46Å; F260-I302 VanDerWaalsContact N-O 3.16Å; V300-I302 PolarHBondContact O-N 2.68Å; V300-I302 VanDerWaalsContact O-N 3.16Å; I302-A316 PolarHBondContact N-O 2.84Å; I302-L318 HydrophobicContact CB-CD2 3.71Å; I302-L318 HydrophobicContact CB-CG 4.19Å; I302-L318 HydrophobicContact CG1-CD2 4.02Å; I302-L318 HydrophobicContact CG2-CD2 3.81Å; I302-L318 HydrophobicContact CG2-CG 4.5Å
303	S	98.9	Very high	98.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	139.5	-173.9	-166.9	0	0	0	0	111.4	V48 F260 S315 A316	V48-S303 PolarHBondContact N-OG 3.48Å; V48-S303 VanDerWaalsContact N-OG 3.13Å; F260-S303 WeakPolarHBondContact CD2-OG 3.36Å; S303-S315 CarbonylContact O-C 3.53Å; S303-S315 VanDerWaalsContact O-CA 3.31Å; S303-S315 WeakPolarHBondContact O-CA 3.46Å; S303-A316 PolarHBondContact N-O 3.31Å; S303-A316 PolarHBondContact O-N 2.94Å
304	T	98.9	Very high	98.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	153.7	168.2	59.8	0	0	0	0	109.3	F260 N262 V272 V280 V301 A314	F260-T304 PolarHBondContact O-OG1 2.77Å; N262-T304 PolarHBondContact ND2-O 2.8Å; N262-T304 PolarHBondContact ND2-OG1 3.34Å; V272-T304 HydrophobicContact CG1-CG2 4.44Å; V280-T304 HydrophobicContact CG1-CG2 4.11Å; V280-T304 HydrophobicContact CG2-CG2 4.13Å; V301-T304 HydrophobicContact CG1-CG2 4.04Å; T304-A314 CarbonylContact C-O 3.51Å; T304-A314 WeakPolarHBondContact CA-O 3.35Å
305	A	98.9	Very high	98.7	Very high	5 Å²	5	30.6 Å²	30.6	4%	0.041	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	143.7	170.9	0	0	0	0	0	110.1	V48 F50 I313 A314	V48-A305 HydrophobicContact CG2-CB 4.33Å; V48-A305 WeakPolarHBondContact O-CB 3.45Å; F50-A305 HydrophobicContact CD2-CB 3.93Å; F50-A305 HydrophobicContact CE2-CB 4.25Å; A305-I313 CarbonylContact O-C 3.6Å; A305-I313 WeakPolarHBondContact O-CA 3.48Å; A305-A314 PolarHBondContact N-O 3.22Å; A305-A314 PolarHBondContact O-N 2.83Å
306	C	98.8	Very high	98.7	Very high	25 Å²	25	23 Å²	23	17%	0.169	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	137.4	172.4	-57.2	0	0	0	0	109.4	F50	F50-C306 VanDerWaalsContact CD2-C 3.5Å
307	H	98.8	Very high	98.7	Very high	4 Å²	4	21.5 Å²	21.5	2%	0.019	12%	0.124	C	C	.	.			trans	-64.9	144.2	176.7	-172.5	-83.5	0	0	0	111.1	F50 G54 Y72 T266 T309 E310 I312	F50-H307 AromaticContact CD1-CD2 3.69Å; F50-H307 HydrophobicContact CD2-CB 4.11Å; F50-H307 AromaticContact CE1-CD2 3.85Å; F50-H307 HydrophobicContact CE2-CB 4.04Å; F50-H307 HydrophobicContact CG-CB 4.36Å; F50-H307 HydrophobicContact CZ-CB 4.26Å; G54-H307 VanDerWaalsContact CA-NE2 3.29Å; G54-H307 WeakPolarHBondContact CA-NE2 3.33Å; G54-H307 PolarHBondContact O-NE2 2.88Å; Y72-H307 AromaticContact CE1-NE2 3.98Å; Y72-H307 AromaticContact CZ-NE2 3.74Å; Y72-H307 PolarHBondContact OH-CE1 3.1Å; T266-H307 WeakPolarHBondContact CG2-O 3.28Å; H307-T309 VanDerWaalsContact C-N 3.32Å; H307-T309 PolarHBondContact CE1-OG1 3.38Å; H307-T309 PolarHBondContact ND1-N 3.16Å; H307-T309 PolarHBondContact ND1-OG1 3.37Å; H307-T309 PolarHBondContact O-N 3.37Å; H307-E310 HydrophobicContact CB-CB 4.41Å; H307-E310 WeakPolarHBondContact ND1-CB 3.05Å; H307-E310 PolarHBondContact ND1-N 3.5Å; H307-I312 HydrophobicContact CB-CB 3.76Å; H307-I312 HydrophobicContact CB-CG1 4.42Å; H307-I312 WeakPolarHBondContact CB-O 3.45Å; H307-I312 PolarHBondContact N-O 3.05Å
308	P	98.2	Very high	98.7	Very high	55 Å²	55	22 Å²	22	36%	0.357	13%	0.126	S	C	.	.	S	Bend	trans	-65.8	-30.6	-173.6	24.1	-35.7	0	0	0	114.3	T266	T266-P308 WeakPolarHBondContact CG2-O 3.37Å
309	T	97.9	Very high	98.7	Very high	83 Å²	83	21.3 Å²	21.3	51%	0.509	12%	0.117	S	C	.	.	S	Bend	trans	-126.3	-13	-173.1	62.1	0	0	0	0	115.1	H307	H307-T309 VanDerWaalsContact C-N 3.32Å; H307-T309 PolarHBondContact CE1-OG1 3.38Å; H307-T309 PolarHBondContact ND1-N 3.16Å; H307-T309 PolarHBondContact ND1-OG1 3.37Å; H307-T309 PolarHBondContact O-N 3.37Å
310	E	98.3	Very high	98.6	Very high	93 Å²	93	26.4 Å²	26.4	44%	0.435	14%	0.144	S	C	.	.	S	Bend	trans	-122.9	161.2	-171.7	-61.9	-59.9	143.9	0	0	110	Y72 T266 H307 I312	Y72-E310 HydrophobicContact CE1-CG 3.97Å; T266-E310 PolarHBondContact OG1-O 3.09Å; H307-E310 HydrophobicContact CB-CB 4.41Å; H307-E310 WeakPolarHBondContact ND1-CB 3.05Å; H307-E310 PolarHBondContact ND1-N 3.5Å; E310-I312 HydrophobicContact CB-CD1 3.93Å; E310-I312 HydrophobicContact CB-CG1 3.74Å; E310-I312 HydrophobicContact CG-CD1 4.41Å; E310-I312 PolarHBondContact O-N 2.91Å
311	N	98.3	Very high	98.6	Very high	28 Å²	28	26.7 Å²	26.7	15%	0.15	15%	0.145	C	C	.	.	S	Bend	trans	-80.4	60.9	173.3	-67.6	-31.2	0	0	0	110.8	Y32 T266 G267 R328 S329 C331	Y32-N311 VanDerWaalsContact CE1-O 3.23Å; Y32-N311 WeakPolarHBondContact CE1-O 3.32Å; T266-N311 PolarHBondContact OG1-OD1 3.03Å; G267-N311 WeakPolarHBondContact CA-OD1 3.46Å; G267-N311 PolarHBondContact N-OD1 3.33Å; N311-R328 WeakPolarHBondContact O-CA 3.17Å; N311-S329 VanDerWaalsContact CB-O 3.27Å; N311-S329 WeakPolarHBondContact CB-O 3.48Å; N311-S329 PolarHBondContact O-N 2.89Å; N311-C331 PolarHBondContact ND2-O 2.58Å; N311-C331 PolarHBondContact ND2-OXT 3.12Å
312	I	98.8	Very high	98.6	Very high	5 Å²	5	30.3 Å²	30.3	3%	0.026	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	131.9	178.4	-48	178.9	0	0	0	109.3	F50 Y72 H307 E310 L326 W327 R328	F50-I312 HydrophobicContact CZ-CB 4.48Å; F50-I312 HydrophobicContact CZ-CG2 3.89Å; Y72-I312 HydrophobicContact CD1-CD1 4.09Å; Y72-I312 HydrophobicContact CE1-CD1 4.35Å; H307-I312 HydrophobicContact CB-CB 3.76Å; H307-I312 HydrophobicContact CB-CG1 4.42Å; H307-I312 WeakPolarHBondContact CB-O 3.45Å; H307-I312 PolarHBondContact N-O 3.05Å; E310-I312 HydrophobicContact CB-CD1 3.93Å; E310-I312 HydrophobicContact CB-CG1 3.74Å; E310-I312 HydrophobicContact CG-CD1 4.41Å; E310-I312 PolarHBondContact O-N 2.91Å; I312-L326 HydrophobicContact CG2-CD2 4.39Å; I312-W327 CarbonylContact C-O 3.5Å; I312-W327 VanDerWaalsContact CA-O 3.27Å; I312-W327 WeakPolarHBondContact CA-O 3.36Å; I312-W327 WeakPolarHBondContact CG2-O 3.5Å; I312-R328 HydrophobicContact CG1-CG 4.05Å; I312-R328 HydrophobicContact CG2-CG 4.44Å
313	I	98.9	Very high	98.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	135.5	170.3	-68.6	167.3	0	0	0	108.2	Y32 V272 I282 A305 L326 W327	Y32-I313 HydrophobicContact CD1-CB 4.35Å; Y32-I313 HydrophobicContact CD1-CD1 3.86Å; Y32-I313 HydrophobicContact CD1-CG1 4.12Å; Y32-I313 HydrophobicContact CD2-CD1 3.94Å; Y32-I313 HydrophobicContact CE1-CB 4.15Å; Y32-I313 HydrophobicContact CE1-CD1 3.56Å; Y32-I313 HydrophobicContact CE1-CG1 3.57Å; Y32-I313 HydrophobicContact CE2-CD1 3.67Å; Y32-I313 HydrophobicContact CE2-CG1 4.48Å; Y32-I313 HydrophobicContact CG-CD1 4.04Å; Y32-I313 VanDerWaalsContact CZ-CD1 3.48Å; V272-I313 HydrophobicContact CG1-CD1 3.98Å; V272-I313 HydrophobicContact CG1-CG2 4.34Å; V272-I313 HydrophobicContact CG2-CD1 3.92Å; I282-I313 HydrophobicContact CD1-CD1 3.72Å; I282-I313 HydrophobicContact CG1-CD1 4.45Å; A305-I313 CarbonylContact O-C 3.6Å; A305-I313 WeakPolarHBondContact O-CA 3.48Å; I313-L326 WeakPolarHBondContact O-CA 3.46Å; I313-W327 HydrophobicContact CB-CB 4.33Å; I313-W327 PolarHBondContact N-O 2.9Å; I313-W327 VanDerWaalsContact O-CD1 3.31Å; I313-W327 PolarHBondContact O-N 2.8Å
314	A	98.9	Very high	98.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	137.3	161.6	0	0	0	0	0	108.7	V48 F50 L57 T304 A305 K325 L326	V48-A314 HydrophobicContact CG2-CB 4.18Å; F50-A314 HydrophobicContact CE2-CB 3.75Å; F50-A314 HydrophobicContact CZ-CB 3.74Å; L57-A314 HydrophobicContact CD1-CB 3.73Å; L57-A314 HydrophobicContact CD2-CB 3.86Å; L57-A314 HydrophobicContact CG-CB 4.48Å; T304-A314 CarbonylContact C-O 3.51Å; T304-A314 WeakPolarHBondContact CA-O 3.35Å; A305-A314 PolarHBondContact N-O 3.22Å; A305-A314 PolarHBondContact O-N 2.83Å; A314-K325 CarbonylContact C-O 3.57Å; A314-K325 WeakPolarHBondContact CA-O 3.11Å; A314-L326 HydrophobicContact CB-CD2 3.76Å
315	S	98.9	Very high	98.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	148.8	170.5	63.9	0	0	0	0	110.6	H297 S303 I324 K325 W327	H297-S315 PolarHBondContact CD2-OG 2.78Å; H297-S315 PolarHBondContact NE2-O 3.34Å; H297-S315 PolarHBondContact NE2-OG 2.84Å; S303-S315 CarbonylContact O-C 3.53Å; S303-S315 VanDerWaalsContact O-CA 3.31Å; S303-S315 WeakPolarHBondContact O-CA 3.46Å; S315-I324 CarbonylContact O-C 3.55Å; S315-I324 WeakPolarHBondContact O-CA 3.48Å; S315-I324 WeakPolarHBondContact O-CG2 3.48Å; S315-K325 PolarHBondContact N-O 3.06Å; S315-K325 PolarHBondContact O-N 3.31Å; S315-W327 PolarHBondContact OG-NE1 3Å
316	A	98.9	Very high	98.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	148	-179.1	0	0	0	0	0	111.3	V45 V48 V301 I302 S303 I324	V45-A316 HydrophobicContact CB-CB 3.89Å; V45-A316 HydrophobicContact CG1-CB 3.55Å; V48-A316 HydrophobicContact CG1-CB 3.64Å; V48-A316 HydrophobicContact CG2-CB 4.22Å; V301-A316 CarbonylContact C-O 3.56Å; V301-A316 WeakPolarHBondContact CA-O 3.3Å; I302-A316 PolarHBondContact N-O 2.84Å; S303-A316 PolarHBondContact N-O 3.31Å; S303-A316 PolarHBondContact O-N 2.94Å; A316-I324 HydrophobicContact CB-CG1 3.91Å
317	A	98.9	Very high	98.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	165.5	-172.4	0	0	0	0	0	114	V45 H297 V300 D321 T323	V45-A317 PolarHBondContact N-O 3.19Å; H297-A317 HydrophobicContact CB-CB 4.16Å; H297-A317 WeakPolarHBondContact ND1-CB 3.4Å; V300-A317 WeakPolarHBondContact O-CA 3.48Å; V300-A317 WeakPolarHBondContact O-CB 3.13Å; A317-D321 HydrophobicContact CB-CB 3.59Å; A317-T323 PolarHBondContact N-O 3.14Å
318	L	98.7	Very high	98.6	Very high	22 Å²	22	34 Å²	34	12%	0.115	17%	0.172	C	C	.	.			trans	-74.4	-167.1	-175.7	-63.2	-172.6	0	0	0	113.6	A44 Y257 D299 V300 I302 N320 D321 K322	A44-L318 HydrophobicContact CB-CB 4.39Å; A44-L318 HydrophobicContact CB-CD2 4.13Å; Y257-L318 HydrophobicContact CD1-CD1 3.99Å; Y257-L318 HydrophobicContact CD2-CD1 4.4Å; Y257-L318 HydrophobicContact CE1-CD1 3.56Å; Y257-L318 HydrophobicContact CE2-CD1 3.99Å; Y257-L318 HydrophobicContact CG-CD1 4.39Å; D299-L318 HydrophobicContact CB-CB 4.41Å; V300-L318 HydrophobicContact CB-CD1 3.67Å; V300-L318 HydrophobicContact CB-CG 3.95Å; V300-L318 HydrophobicContact CG1-CD1 4.06Å; V300-L318 HydrophobicContact CG1-CG 4.39Å; V300-L318 HydrophobicContact CG2-CD1 4.14Å; V300-L318 PolarHBondContact O-N 3.16Å; V300-L318 VanDerWaalsContact O-N 3.11Å; I302-L318 HydrophobicContact CB-CD2 3.71Å; I302-L318 HydrophobicContact CB-CG 4.19Å; I302-L318 HydrophobicContact CG1-CD2 4.02Å; I302-L318 HydrophobicContact CG2-CD2 3.81Å; I302-L318 HydrophobicContact CG2-CG 4.5Å; L318-N320 VanDerWaalsContact C-N 3.33Å; L318-N320 PolarHBondContact O-N 2.96Å; L318-D321 PolarHBondContact O-N 2.56Å; L318-K322 PolarHBondContact O-N 3.38Å
319	E	97.6	Very high	98.5	Very high	81 Å²	81	31.9 Å²	31.9	38%	0.379	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-30.9	-161.5	-169.7	63.8	-143.9	0	0	115.4	K43 A44 D299 D321 K322	K43-E319 VanDerWaalsContact CA-OE2 3.27Å; K43-E319 WeakPolarHBondContact CA-OE2 3.21Å; K43-E319 WeakPolarHBondContact CB-OE2 3.48Å; A44-E319 HydrophobicContact CB-CB 4.23Å; A44-E319 PolarHBondContact N-OE2 3.48Å; D299-E319 PolarHBondContact OD2-N 2.81Å; E319-D321 VanDerWaalsContact C-N 3.31Å; E319-K322 VanDerWaalsContact O-CD 3.24Å; E319-K322 WeakPolarHBondContact O-CD 3.22Å; E319-K322 VanDerWaalsContact O-CE 3.24Å; E319-K322 WeakPolarHBondContact O-CE 3.39Å; E319-K322 WeakPolarHBondContact O-CG 3.21Å
320	N	98	Very high	98.2	Very high	128 Å²	128	34.6 Å²	34.6	68%	0.684	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-14	179.3	-57.4	-60.2	0	0	0	112.8	D299 L318	D299-N320 HydrophobicContact CB-CB 4.04Å; D299-N320 VanDerWaalsContact OD2-CB 3.23Å; D299-N320 WeakPolarHBondContact OD2-CB 3.21Å; D299-N320 PolarHBondContact OD2-N 3.3Å; D299-N320 PolarHBondContact OD2-ND2 2.55Å; L318-N320 VanDerWaalsContact C-N 3.33Å; L318-N320 PolarHBondContact O-N 2.96Å
321	D	98.6	Very high	97.2	Very high	17 Å²	17	32.5 Å²	32.5	9%	0.091	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-57.4	178.7	-177	-59.5	0	0	0	111.3	H297 T298 D299 A317 L318 E319 T323	H297-D321 WeakPolarHBondContact CA-OD2 3.45Å; H297-D321 WeakPolarHBondContact CB-OD2 3.47Å; H297-D321 IonicContact CE1-OD1 3.13Å; H297-D321 IonicContact CG-OD2 3.23Å; H297-D321 IonicContact ND1-OD1 3.37Å; H297-D321 PolarHBondContact ND1-OD1 2.78Å; H297-D321 IonicContact ND1-OD2 2.79Å; H297-D321 PolarHBondContact ND1-OD2 3.24Å; T298-D321 PolarHBondContact N-OD2 3.49Å; T298-D321 WeakPolarHBondContact OG1-CB 3.22Å; T298-D321 PolarHBondContact OG1-OD2 3.44Å; D299-D321 HydrophobicContact CB-CB 3.81Å; A317-D321 HydrophobicContact CB-CB 3.59Å; L318-D321 PolarHBondContact O-N 2.56Å; E319-D321 VanDerWaalsContact C-N 3.31Å; D321-T323 WeakPolarHBondContact O-CG2 3.44Å; D321-T323 PolarHBondContact O-N 2.99Å; D321-T323 WeakPolarHBondContact OD1-CA 3.27Å; D321-T323 VanDerWaalsContact OD1-CB 3.25Å; D321-T323 WeakPolarHBondContact OD1-CB 3.24Å; D321-T323 PolarHBondContact OD1-N 2.83Å; D321-T323 PolarHBondContact OD1-OG1 2.89Å
322	K	98.6	Very high	97.2	Very high	76 Å²	76	32.8 Å²	32.8	33%	0.33	17%	0.166	S	C	.	.			trans	60.9	6	178.9	-56.1	170.1	-76.4	-163.3	0	115.4	V45 L318 E319	V45-K322 WeakPolarHBondContact CG2-O 3.32Å; L318-K322 PolarHBondContact O-N 3.38Å; E319-K322 VanDerWaalsContact O-CD 3.24Å; E319-K322 WeakPolarHBondContact O-CD 3.22Å; E319-K322 VanDerWaalsContact O-CE 3.24Å; E319-K322 WeakPolarHBondContact O-CE 3.39Å; E319-K322 WeakPolarHBondContact O-CG 3.21Å
323	T	98.9	Very high	97.1	Very high	24 Å²	24	34.2 Å²	34.2	15%	0.147	17%	0.174	C	C	.	.			trans	-98.7	161.3	179.8	75.7	0	0	0	0	111.8	T37 L38 H297 A317 D321	T37-T323 HydrophobicContact CG2-CG2 3.93Å; L38-T323 WeakPolarHBondContact O-CA 3.5Å; H297-T323 PolarHBondContact CE1-O 2.91Å; A317-T323 PolarHBondContact N-O 3.14Å; D321-T323 WeakPolarHBondContact O-CG2 3.44Å; D321-T323 PolarHBondContact O-N 2.99Å; D321-T323 WeakPolarHBondContact OD1-CA 3.27Å; D321-T323 VanDerWaalsContact OD1-CB 3.25Å; D321-T323 WeakPolarHBondContact OD1-CB 3.24Å; D321-T323 PolarHBondContact OD1-N 2.83Å; D321-T323 PolarHBondContact OD1-OG1 2.89Å
324	I	98.9	Very high	97	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	140.4	167.4	-59.4	151.8	0	0	0	107.1	T37 L38 V45 V48 L57 S59 W69 S315 A316	T37-I324 CarbonylContact C-O 3.58Å; T37-I324 WeakPolarHBondContact CA-O 3.48Å; L38-I324 HydrophobicContact CB-CB 4.02Å; L38-I324 HydrophobicContact CD2-CG2 4.33Å; L38-I324 PolarHBondContact N-O 3.35Å; L38-I324 PolarHBondContact O-N 3.28Å; V45-I324 HydrophobicContact CG1-CD1 4.3Å; V45-I324 HydrophobicContact CG1-CG1 4.09Å; V45-I324 HydrophobicContact CG2-CG1 4.23Å; V48-I324 HydrophobicContact CG1-CD1 4.06Å; V48-I324 HydrophobicContact CG1-CG1 3.91Å; V48-I324 HydrophobicContact CG1-CG2 4.04Å; L57-I324 HydrophobicContact CD2-CG2 3.84Å; S59-I324 WeakPolarHBondContact OG-CD1 3.41Å; W69-I324 HydrophobicContact CZ2-CD1 4.23Å; S315-I324 CarbonylContact O-C 3.55Å; S315-I324 WeakPolarHBondContact O-CA 3.48Å; S315-I324 WeakPolarHBondContact O-CG2 3.48Å; A316-I324 HydrophobicContact CB-CG1 3.91Å
325	K	98.9	Very high	96.9	Very high	19 Å²	19	38.2 Å²	38.2	8%	0.083	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	134.9	177.4	-70.8	176.1	-165.8	-82.5	0	110.5	L34 F36 T37 G296 H297 A314 S315 W327	L34-K325 HydrophobicContact CD1-CB 3.65Å; L34-K325 HydrophobicContact CD1-CD 4.03Å; L34-K325 HydrophobicContact CD1-CG 3.82Å; F36-K325 WeakPolarHBondContact O-CA 3.5Å; T37-K325 HydrophobicContact CG2-CG 4.47Å; T37-K325 PolarHBondContact OG1-NZ 2.86Å; G296-K325 VanDerWaalsContact C-CE 3.44Å; G296-K325 WeakPolarHBondContact O-CE 3.37Å; G296-K325 PolarHBondContact O-NZ 2.89Å; G296-K325 VanDerWaalsContact O-NZ 3.13Å; H297-K325 WeakPolarHBondContact ND1-CE 3.34Å; A314-K325 CarbonylContact C-O 3.57Å; A314-K325 WeakPolarHBondContact CA-O 3.11Å; S315-K325 PolarHBondContact N-O 3.06Å; S315-K325 PolarHBondContact O-N 3.31Å; K325-W327 HydrophobicContact CB-CZ2 3.79Å; K325-W327 HydrophobicContact CD-CH2 4.17Å; K325-W327 HydrophobicContact CD-CZ2 3.71Å; K325-W327 HydrophobicContact CG-CZ2 4.38Å; K325-W327 PolarHBondContact O-NE1 3.35Å
326	L	98.9	Very high	96.7	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	124.1	172.8	-68.6	-178.9	0	0	0	109.7	K35 F36 L38 F50 L57 I312 I313 A314	K35-L326 PolarHBondContact N-O 2.95Å; F36-L326 HydrophobicContact CB-CB 4.16Å; F36-L326 HydrophobicContact CB-CD1 4.38Å; F36-L326 HydrophobicContact CD2-CB 4.08Å; F36-L326 HydrophobicContact CD2-CD1 3.97Å; F36-L326 PolarHBondContact N-O 2.85Å; F36-L326 PolarHBondContact O-N 3.29Å; L38-L326 HydrophobicContact CD1-CD1 3.98Å; L38-L326 HydrophobicContact CD1-CG 3.92Å; L38-L326 HydrophobicContact CD2-CD1 4.42Å; F50-L326 HydrophobicContact CE1-CD2 4.39Å; F50-L326 HydrophobicContact CZ-CD2 4.02Å; L57-L326 HydrophobicContact CD2-CD2 4.05Å; I312-L326 HydrophobicContact CG2-CD2 4.39Å; I313-L326 WeakPolarHBondContact O-CA 3.46Å; A314-L326 HydrophobicContact CB-CD2 3.76Å
327	W	98.8	Very high	96.6	Very high	8 Å²	8	43.3 Å²	43.3	3%	0.03	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	142.2	-178.6	-43.6	82.2	0	0	0	109.6	Y32 T33 L34 L294 Q295 I312 I313 S315 K325	Y32-W327 HydrophobicContact CD1-CB 3.93Å; T33-W327 CarbonylContact O-C 3.56Å; T33-W327 VanDerWaalsContact O-CA 3.25Å; T33-W327 WeakPolarHBondContact O-CA 3.22Å; L34-W327 HydrophobicContact CB-CE3 3.87Å; L34-W327 HydrophobicContact CB-CH2 4.48Å; L34-W327 HydrophobicContact CB-CZ3 3.76Å; L34-W327 HydrophobicContact CD1-CD2 4.35Å; L34-W327 HydrophobicContact CD1-CE3 4.32Å; L34-W327 HydrophobicContact CD1-CH2 4.35Å; L34-W327 HydrophobicContact CD1-CZ2 4.4Å; L34-W327 HydrophobicContact CD1-CZ3 4.31Å; L294-W327 HydrophobicContact CB-CD2 4.2Å; L294-W327 HydrophobicContact CB-CE3 3.89Å; L294-W327 HydrophobicContact CB-CH2 3.87Å; L294-W327 HydrophobicContact CB-CZ2 4.16Å; L294-W327 HydrophobicContact CB-CZ3 3.73Å; L294-W327 HydrophobicContact CD1-CB 4.07Å; L294-W327 HydrophobicContact CD1-CD2 3.6Å; L294-W327 HydrophobicContact CD1-CE3 3.88Å; L294-W327 HydrophobicContact CD1-CG 3.68Å; L294-W327 HydrophobicContact CG-CD2 4.49Å; L294-W327 HydrophobicContact CG-CE3 4.36Å; Q295-W327 WeakPolarHBondContact O-CH2 3.17Å; I312-W327 CarbonylContact C-O 3.5Å; I312-W327 VanDerWaalsContact CA-O 3.27Å; I312-W327 WeakPolarHBondContact CA-O 3.36Å; I312-W327 WeakPolarHBondContact CG2-O 3.5Å; I313-W327 HydrophobicContact CB-CB 4.33Å; I313-W327 PolarHBondContact N-O 2.9Å; I313-W327 VanDerWaalsContact O-CD1 3.31Å; I313-W327 PolarHBondContact O-N 2.8Å; S315-W327 PolarHBondContact OG-NE1 3Å; K325-W327 HydrophobicContact CB-CZ2 3.79Å; K325-W327 HydrophobicContact CD-CH2 4.17Å; K325-W327 HydrophobicContact CD-CZ2 3.71Å; K325-W327 HydrophobicContact CG-CZ2 4.38Å; K325-W327 PolarHBondContact O-NE1 3.35Å
328	R	98.3	Very high	96.4	Very high	74 Å²	74	46.4 Å²	46.4	28%	0.279	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	138.3	176	-65.1	-163.1	172.3	165.8	-5.6	112.6	Y32 T33 K35 Y72 N311 I312	Y32-R328 CarbonylContact C-O 3.6Å; Y32-R328 VanDerWaalsContact CA-O 3.28Å; Y32-R328 WeakPolarHBondContact CA-O 3.49Å; T33-R328 PolarHBondContact N-O 2.95Å; T33-R328 PolarHBondContact O-N 2.81Å; T33-R328 PolarHBondContact OG1-O 3.41Å; K35-R328 HydrophobicContact CG-CB 3.86Å; K35-R328 HydrophobicContact CG-CG 3.66Å; Y72-R328 PolarHBondContact O-NH2 3.13Å; N311-R328 WeakPolarHBondContact O-CA 3.17Å; I312-R328 HydrophobicContact CG1-CG 4.05Å; I312-R328 HydrophobicContact CG2-CG 4.44Å
329	S	96.8	Very high	96.2	Very high	10 Å²	10	48.3 Å²	48.3	7%	0.07	25%	0.245	C	C	.	.			trans	-113.4	148.3	171.7	-179.5	0	0	0	0	109.3	N31 N311 C331	N31-S329 PolarHBondContact N-OG 2.81Å; N31-S329 PolarHBondContact OD1-OG 3.01Å; N311-S329 VanDerWaalsContact CB-O 3.27Å; N311-S329 WeakPolarHBondContact CB-O 3.48Å; N311-S329 PolarHBondContact O-N 2.89Å; S329-C331 VanDerWaalsContact C-N 3.27Å; S329-C331 WeakPolarHBondContact CB-O 3.23Å; S329-C331 PolarHBondContact OG-N 3.26Å; S329-C331 PolarHBondContact OG-O 3Å
330	D	91.3	Very high	96.1	Very high	141 Å²	141	45.6 Å²	45.6	75%	0.754	23%	0.234	S	C	*	.			trans	-81.1	-14.5	175.3	-55	-44.7	0	0	0	111.4	N31	N31-D330 PolarHBondContact ND2-OD2 3.17Å; N31-D330 PolarHBondContact OD1-N 3.2Å
331	C	77.5	Confident	95.9	Very high	49 Å²	49	38.1 Å²	38.1	33%	0.331	19%	0.193	S	C	.	.			trans	-140.4	0	-178.7	64.4	0	0	0	0	113.6	G267 G268 N311 S329	G267-C331 WeakPolarHBondContact CA-OXT 3.46Å; G268-C331 PolarHBondContact N-OXT 3.36Å; N311-C331 PolarHBondContact ND2-O 2.58Å; N311-C331 PolarHBondContact ND2-OXT 3.12Å; S329-C331 VanDerWaalsContact C-N 3.27Å; S329-C331 WeakPolarHBondContact CB-O 3.23Å; S329-C331 PolarHBondContact OG-N 3.26Å; S329-C331 PolarHBondContact OG-O 3Å

Retrieved 331 of 331 residues in 1482.1 ms (Link to these results)

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