A0A096NIM5_PAPAN Loading...

Probable inactive allantoicase

The function of this enzyme is unclear as allantoicase activity is not known to exist in mammals.

AlphaFold DB , UniProt , Accession A0A096NIM5, Species PAPAN (Papio anubis, Olive baboon), Gene ALLC, Length 410 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	27.8	Very low	34.9	Very low	242 Å²	242	130.5 Å²	130.5	100%	1.192	72%	0.716	S	S	*	*				0	106	0	-74.7	-163.2	-76.3	0	0	105.9	D3	M1-D3 PolarHBondContact O-N 3.44Å
2	A	26.8	Very low	35	Very low	101 Å²	101	140.6 Å²	140.6	84%	0.835	74%	0.736	S	S	*	*			trans	-68.5	128.2	177.9	0	0	0	0	0	108.3	A4	A2-A4 PolarHBondContact O-N 2.98Å
3	D	33.3	Very low	35.2	Very low	166 Å²	166	143.2 Å²	143.2	89%	0.888	74%	0.738	S	S	*	*			trans	-58.7	105.6	171.8	-88.2	-38.7	0	0	0	108.2	M1 P5	M1-D3 PolarHBondContact O-N 3.44Å; D3-P5 WeakPolarHBondContact O-CD 3.45Å
4	A	34	Very low	36.1	Very low	52 Å²	52	137.9 Å²	137.9	43%	0.43	71%	0.711	S	S	.	*	P	Polyproline II helix	trans	-70.4	122.7	171.8	0	0	0	0	0	107.4	A2 K6	A2-A4 PolarHBondContact O-N 2.98Å; A4-K6 PolarHBondContact O-N 2.92Å; A4-K6 VanDerWaalsContact O-N 3.1Å
5	P	39.5	Very low	37.6	Very low	61 Å²	61	134.1 Å²	134.1	40%	0.396	69%	0.693	S	S	.	*	P	Polyproline II helix	trans	-59.2	120.5	176.8	21.1	-29.4	0	0	0	108.9	D3 A232	D3-P5 WeakPolarHBondContact O-CD 3.45Å; P5-A232 HydrophobicContact CG-CB 4.46Å
6	K	39.8	Very low	38.7	Very low	200 Å²	200	131.5 Å²	131.5	87%	0.87	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-85.3	138	175.9	-67.3	-177	-178	176.3	0	109.2	A4	A4-K6 PolarHBondContact O-N 2.92Å; A4-K6 VanDerWaalsContact O-N 3.1Å
7	E	41	Very low	39.9	Very low	112 Å²	112	130 Å²	130	52%	0.523	67%	0.673	S	S	.	*	S	Bend	trans	-57.8	137	177.9	-158.1	-174	-162.7	0	0	111.3	K328	E7-K328 IonicContact OE2-NZ 3.82Å
8	G	44.9	Very low	41.5	Very low	75 Å²	75	126.6 Å²	126.6	77%	0.773	65%	0.653	S	S	*	*			trans	99.1	66	157.3	0	0	0	0	0	118.4
9	R	29.4	Very low	43.9	Very low	226 Å²	226	121 Å²	121	85%	0.853	63%	0.625	S	S	*	*			trans	-127.5	116.6	152	-134.7	178.2	-170.8	-176.7	2.4	109.7	T11	R9-T11 HydrophobicContact CB-CG2 4.23Å; R9-T11 HydrophobicContact CG-CG2 4.5Å; R9-T11 PolarHBondContact O-N 3.19Å; R9-T11 VanDerWaalsContact O-N 3.1Å
10	L	34	Very low	46.2	Very low	126 Å²	126	116.3 Å²	116.3	66%	0.66	60%	0.602	S	S	*	*			trans	-60.3	109.9	167.1	-89.9	154.3	0	0	0	107.5	K326	L10-K326 HydrophobicContact CD1-CG 4.36Å
11	T	33.9	Very low	48.5	Very low	75 Å²	75	112 Å²	112	46%	0.46	58%	0.579	S	S	.	*			trans	-125.9	116.7	174.2	57.1	0	0	0	0	109.8	R9 F13	R9-T11 HydrophobicContact CB-CG2 4.23Å; R9-T11 HydrophobicContact CG-CG2 4.5Å; R9-T11 PolarHBondContact O-N 3.19Å; R9-T11 VanDerWaalsContact O-N 3.1Å; T11-F13 WeakPolarHBondContact CB-O 3.45Å; T11-F13 PolarHBondContact O-N 3.39Å; T11-F13 PolarHBondContact OG1-O 3.27Å
12	R	36.3	Very low	51.8	Low	251 Å²	251	100.4 Å²	100.4	95%	0.947	52%	0.523	S	S	*	.	S	Bend	trans	-57.4	-2.6	162.5	-122.7	176.3	174.5	177.2	-3.2	112.6
13	F	37.6	Very low	55.2	Low	174 Å²	174	95.6 Å²	95.6	76%	0.763	48%	0.483	S	S	*	.	S	Bend	trans	-134.4	119.8	177.4	-65.7	-82.8	0	0	0	107.6	T11 D15	T11-F13 WeakPolarHBondContact CB-O 3.45Å; T11-F13 PolarHBondContact O-N 3.39Å; T11-F13 PolarHBondContact OG1-O 3.27Å; F13-D15 PolarHBondContact O-N 3.27Å
14	L	47.5	Very low	58.2	Low	69 Å²	69	87.9 Å²	87.9	36%	0.361	44%	0.442	S	S	.	.			trans	-48.7	133.5	170.1	-78.7	128.5	0	0	0	109.4	F16 Q18 L19 T201	L14-F16 PolarHBondContact O-N 2.97Å; L14-Q18 HydrophobicContact CD2-CB 4.2Å; L14-L19 HydrophobicContact CB-CD2 3.83Å; L14-L19 HydrophobicContact CB-CG 4.32Å; L14-L19 HydrophobicContact CD1-CD2 4.06Å; L14-L19 HydrophobicContact CG-CD2 4.42Å; L14-T201 HydrophobicContact CD1-CG2 3.81Å
15	D	58	Low	61.1	Low	82 Å²	82	89.6 Å²	89.6	44%	0.439	44%	0.441	S	S	.	.			trans	-55.6	136.9	168.9	-174.3	6.5	0	0	0	107.5	F13 T17 Q18	F13-D15 PolarHBondContact O-N 3.27Å; D15-T17 PolarHBondContact O-N 3.22Å; D15-T17 PolarHBondContact OD2-OG1 3.49Å; D15-Q18 HydrophobicContact CB-CG 4.4Å; D15-Q18 WeakPolarHBondContact O-CB 3.44Å; D15-Q18 PolarHBondContact O-N 2.96Å
16	F	55.9	Low	63.6	Low	92 Å²	92	89 Å²	89	40%	0.404	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-53.1	-31.3	-178.3	-83.2	-91	0	0	0	111.8	L14 Q18 L19 A93 L173 L199	L14-F16 PolarHBondContact O-N 2.97Å; F16-Q18 PolarHBondContact O-N 3.47Å; F16-L19 HydrophobicContact CD1-CD1 4.34Å; F16-L19 PolarHBondContact O-N 3.34Å; F16-A93 HydrophobicContact CD1-CB 4.18Å; F16-A93 HydrophobicContact CE1-CB 3.33Å; F16-A93 HydrophobicContact CZ-CB 4.15Å; F16-L173 HydrophobicContact CE1-CD2 4.24Å; F16-L173 HydrophobicContact CE2-CD2 4.27Å; F16-L173 HydrophobicContact CZ-CD2 3.46Å; F16-L173 VanDerWaalsContact CZ-CD2 3.46Å; F16-L199 HydrophobicContact CD1-CD1 3.81Å; F16-L199 HydrophobicContact CE1-CD1 4.44Å
17	T	58	Low	66.1	Low	106 Å²	106	80.5 Å²	80.5	65%	0.65	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-63.1	-16.8	176.6	64.5	0	0	0	0	114.2	D15	D15-T17 PolarHBondContact O-N 3.22Å; D15-T17 PolarHBondContact OD2-OG1 3.49Å
18	Q	69.8	Low	68.7	Low	68 Å²	68	77.1 Å²	77.1	32%	0.318	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-104	-6.7	-179.5	-60.6	-176.1	-0.1	0	0	113.2	L14 D15 F16	L14-Q18 HydrophobicContact CD2-CB 4.2Å; D15-Q18 HydrophobicContact CB-CG 4.4Å; D15-Q18 WeakPolarHBondContact O-CB 3.44Å; D15-Q18 PolarHBondContact O-N 2.96Å; F16-Q18 PolarHBondContact O-N 3.47Å
19	L	85.9	Confident	71.1	Confident	21 Å²	21	74 Å²	74	11%	0.11	37%	0.366	C	S	.	.	S	Bend	trans	-78.1	147.4	176	-65.4	176.7	0	0	0	110.6	L14 F16 R92 L199 T201	L14-L19 HydrophobicContact CB-CD2 3.83Å; L14-L19 HydrophobicContact CB-CG 4.32Å; L14-L19 HydrophobicContact CD1-CD2 4.06Å; L14-L19 HydrophobicContact CG-CD2 4.42Å; F16-L19 HydrophobicContact CD1-CD1 4.34Å; F16-L19 PolarHBondContact O-N 3.34Å; L19-R92 HydrophobicContact CD1-CB 3.79Å; L19-R92 HydrophobicContact CD1-CG 4.29Å; L19-R92 HydrophobicContact CD2-CG 4.16Å; L19-L199 HydrophobicContact CB-CB 4.05Å; L19-L199 HydrophobicContact CD1-CB 3.98Å; L19-T201 HydrophobicContact CD2-CG2 4Å
20	T	90.9	Very high	74.3	Confident	26 Å²	26	67 Å²	67	16%	0.16	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	136.4	176.7	-52	0	0	0	0	110	M22 I87 V198 L199 G200 I220	T20-M22 PolarHBondContact O-N 3.3Å; T20-M22 VanDerWaalsContact O-N 3.09Å; T20-I87 HydrophobicContact CG2-CD1 3.58Å; T20-V198 VanDerWaalsContact O-O 3.13Å; T20-L199 WeakPolarHBondContact O-CA 3.43Å; T20-G200 PolarHBondContact N-O 2.96Å; T20-G200 PolarHBondContact O-N 2.87Å; T20-I220 VanDerWaalsContact OG1-CD1 3.29Å; T20-I220 WeakPolarHBondContact OG1-CD1 3.37Å
21	D	95.1	Very high	77.3	Confident	26 Å²	26	61.3 Å²	61.3	14%	0.139	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	95.2	165	-177.5	11.5	0	0	0	109.3	A23 S24 V27 R197 V198 L199	D21-A23 PolarHBondContact O-N 3.45Å; D21-A23 PolarHBondContact OD1-N 3.49Å; D21-S24 PolarHBondContact O-N 3.07Å; D21-V27 WeakPolarHBondContact O-CG2 3.3Å; D21-R197 WeakPolarHBondContact OD2-CD 3.28Å; D21-R197 IonicContact OD2-CZ 3.86Å; D21-R197 IonicContact OD2-NE 3.88Å; D21-R197 IonicContact OD2-NH1 2.96Å; D21-R197 PolarHBondContact OD2-NH1 3.09Å; D21-V198 CarbonylContact C-O 3.53Å; D21-V198 WeakPolarHBondContact CA-O 3.46Å; D21-V198 PolarHBondContact OD1-N 3.35Å; D21-L199 HydrophobicContact CB-CD2 4.39Å
22	M	96.8	Very high	80.2	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-18.4	-173.9	-64.6	-168.8	-56.2	0	0	113.4	T20 L85 G86 I87 I91 V198	T20-M22 PolarHBondContact O-N 3.3Å; T20-M22 VanDerWaalsContact O-N 3.09Å; M22-L85 HydrophobicContact CB-CD2 4.39Å; M22-L85 HydrophobicContact CE-CD1 4.42Å; M22-G86 PolarHBondContact O-N 3.34Å; M22-I87 HydrophobicContact CB-CB 4.21Å; M22-I87 WeakPolarHBondContact CB-O 3.28Å; M22-I87 HydrophobicContact CG-CB 4.12Å; M22-I87 HydrophobicContact CG-CG2 4.17Å; M22-I87 PolarHBondContact O-N 3.16Å; M22-I87 HydrophobicContact SD-CG2 4.3Å; M22-I91 HydrophobicContact CE-CB 4.13Å; M22-I91 HydrophobicContact CE-CG1 3.37Å; M22-V198 HydrophobicContact CB-CG1 4.37Å; M22-V198 HydrophobicContact CE-CG1 3.93Å; M22-V198 PolarHBondContact N-O 2.92Å
23	A	97.7	Very high	83.1	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-10.7	177.7	0	0	0	0	0	113.1	D21 E25 G29 I46 L83 L85 V198	D21-A23 PolarHBondContact O-N 3.45Å; D21-A23 PolarHBondContact OD1-N 3.49Å; A23-E25 PolarHBondContact O-N 2.96Å; A23-G29 WeakPolarHBondContact O-CA 3.29Å; A23-I46 HydrophobicContact CB-CG2 4.14Å; A23-I46 VanDerWaalsContact O-CB 3.3Å; A23-I46 WeakPolarHBondContact O-CB 3.45Å; A23-I46 WeakPolarHBondContact O-CG2 3.28Å; A23-L83 HydrophobicContact CB-CD1 3.71Å; A23-L85 HydrophobicContact CB-CD2 3.83Å; A23-V198 HydrophobicContact CB-CB 3.74Å; A23-V198 HydrophobicContact CB-CG2 3.37Å
24	S	96.3	Very high	85.9	Confident	3 Å²	3	38.7 Å²	38.7	2%	0.021	22%	0.215	C	C	.	.			trans	-57.2	138.4	-174.8	-177.4	0	0	0	0	111.8	D21 S26 V27 G28 G29 I46	D21-S24 PolarHBondContact O-N 3.07Å; S24-S26 WeakPolarHBondContact CB-OG 3.39Å; S24-S26 PolarHBondContact O-N 2.6Å; S24-S26 VanDerWaalsContact O-N 3.12Å; S24-S26 PolarHBondContact OG-N 2.89Å; S24-S26 PolarHBondContact OG-OG 2.7Å; S24-V27 WeakPolarHBondContact O-CG2 2.97Å; S24-V27 PolarHBondContact O-N 2.9Å; S24-V27 VanDerWaalsContact O-N 3.08Å; S24-G28 PolarHBondContact O-N 3Å; S24-G29 PolarHBondContact O-N 3.09Å; S24-I46 CarbonylContact C-O 3.56Å; S24-I46 WeakPolarHBondContact CA-O 3.28Å
25	E	94.7	Very high	88.3	Confident	89 Å²	89	36 Å²	36	42%	0.416	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-56.3	-28.2	170.5	70.5	-178.8	173.8	0	0	111.8	A23 V27 G28 I46 K47	A23-E25 PolarHBondContact O-N 2.96Å; E25-V27 PolarHBondContact O-N 2.76Å; E25-G28 PolarHBondContact O-N 3.44Å; E25-I46 HydrophobicContact CB-CD1 4.17Å; E25-I46 HydrophobicContact CB-CG1 4.3Å; E25-I46 PolarHBondContact N-O 2.95Å; E25-K47 WeakPolarHBondContact OE1-CA 3.19Å
26	S	91.8	Very high	90.2	Very high	47 Å²	47	32.7 Å²	32.7	33%	0.329	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-66.2	-24.2	-179.4	67.9	0	0	0	0	113.3	S24	S24-S26 WeakPolarHBondContact CB-OG 3.39Å; S24-S26 PolarHBondContact O-N 2.6Å; S24-S26 VanDerWaalsContact O-N 3.12Å; S24-S26 PolarHBondContact OG-N 2.89Å; S24-S26 PolarHBondContact OG-OG 2.7Å
27	V	93.3	Very high	92.1	Very high	22 Å²	22	28.3 Å²	28.3	13%	0.133	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-106.3	11.1	175.3	-57.3	0	0	0	0	112.4	D21 S24 E25 G86 I87 V243	D21-V27 WeakPolarHBondContact O-CG2 3.3Å; S24-V27 WeakPolarHBondContact O-CG2 2.97Å; S24-V27 PolarHBondContact O-N 2.9Å; S24-V27 VanDerWaalsContact O-N 3.08Å; E25-V27 PolarHBondContact O-N 2.76Å; V27-G86 CarbonylContact O-C 3.58Å; V27-G86 VanDerWaalsContact O-CA 3.26Å; V27-G86 WeakPolarHBondContact O-CA 3.2Å; V27-I87 HydrophobicContact CB-CD1 3.86Å; V27-I87 HydrophobicContact CB-CG1 4.02Å; V27-I87 HydrophobicContact CG1-CD1 3.93Å; V27-I87 HydrophobicContact CG2-CD1 4.04Å; V27-I87 HydrophobicContact CG2-CG1 4.05Å; V27-V243 HydrophobicContact CB-CB 4.41Å; V27-V243 HydrophobicContact CB-CG2 4.19Å; V27-V243 HydrophobicContact CG1-CB 4.43Å; V27-V243 HydrophobicContact CG1-CG2 4.28Å
28	G	94.4	Very high	94	Very high	42 Å²	42	25.5 Å²	25.5	43%	0.433	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	93	13.6	176.3	0	0	0	0	0	115.4	S24 E25 G86	S24-G28 PolarHBondContact O-N 3Å; E25-G28 PolarHBondContact O-N 3.44Å; G28-G86 VanDerWaalsContact C-CA 3.43Å
29	G	96.2	Very high	95.3	Very high	9 Å²	9	24.5 Å²	24.5	9%	0.093	14%	0.138	C	C	.	.			trans	-59.7	143.7	171	0	0	0	0	0	111.4	A23 S24 I46 R84	A23-G29 WeakPolarHBondContact O-CA 3.29Å; S24-G29 PolarHBondContact O-N 3.09Å; G29-I46 WeakPolarHBondContact O-CD1 3.35Å; G29-R84 WeakPolarHBondContact CA-O 3.43Å
30	K	95.9	Very high	95.8	Very high	80 Å²	80	23.6 Å²	23.6	35%	0.348	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	130.5	-175.2	-169.5	176.3	-176.7	179.8	0	110.3	L32 L83 R84 E126	K30-L32 HydrophobicContact CD-CD2 4.4Å; K30-L32 HydrophobicContact CG-CD2 4.37Å; K30-L32 PolarHBondContact O-N 2.64Å; K30-L83 CarbonylContact O-C 3.53Å; K30-L83 VanDerWaalsContact O-CA 3.29Å; K30-L83 WeakPolarHBondContact O-CA 3.37Å; K30-R84 PolarHBondContact N-O 3.28Å; K30-R84 PolarHBondContact O-N 3.13Å; K30-E126 IonicContact NZ-OE1 3.98Å; K30-E126 PolarHBondContact NZ-OE1 2.85Å
31	I	96.8	Very high	96.1	Very high	5 Å²	5	22.8 Å²	22.8	3%	0.026	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	124.9	165.1	-55.5	-55.4	0	0	0	107.9	A42 E43 I46 L83	I31-A42 HydrophobicContact CG1-CB 4.23Å; I31-A42 HydrophobicContact CG2-CB 3.93Å; I31-E43 HydrophobicContact CB-CG 4.41Å; I31-E43 HydrophobicContact CG1-CG 4.26Å; I31-I46 HydrophobicContact CD1-CD1 4.39Å; I31-I46 HydrophobicContact CD1-CG2 4.17Å; I31-I46 HydrophobicContact CG1-CD1 4.27Å; I31-L83 HydrophobicContact CD1-CB 3.66Å; I31-L83 HydrophobicContact CD1-CD2 4.46Å
32	L	95.6	Very high	96.2	Very high	24 Å²	24	21.6 Å²	21.6	13%	0.126	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-33.4	177.4	-57.8	-174	0	0	0	111.4	K30 V82 R84 I124	K30-L32 HydrophobicContact CD-CD2 4.4Å; K30-L32 HydrophobicContact CG-CD2 4.37Å; K30-L32 PolarHBondContact O-N 2.64Å; L32-V82 HydrophobicContact CB-CG1 4.31Å; L32-V82 HydrophobicContact CD1-CG1 4.22Å; L32-V82 PolarHBondContact N-O 2.83Å; L32-R84 HydrophobicContact CD1-CB 4.1Å; L32-R84 HydrophobicContact CD2-CB 4.18Å; L32-R84 HydrophobicContact CG-CB 4.16Å; L32-I124 HydrophobicContact CB-CD1 4.33Å; L32-I124 HydrophobicContact CD1-CD1 4.03Å
33	F	96.6	Very high	96.2	Very high	2 Å²	2	23 Å²	23	1%	0.009	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	148	-175.1	176	-91.4	0	0	0	110.5	T35 W80 C81 V82 A135 E139 F140 I143	F33-T35 HydrophobicContact CE1-CG2 3.75Å; F33-T35 HydrophobicContact CZ-CG2 4.16Å; F33-W80 HydrophobicContact CD1-CD2 4.41Å; F33-W80 AromaticContact CD1-CE3 3.76Å; F33-W80 HydrophobicContact CD1-CE3 3.76Å; F33-W80 AromaticContact CD1-CH2 3.56Å; F33-W80 HydrophobicContact CD1-CH2 3.56Å; F33-W80 HydrophobicContact CD1-CZ2 4.21Å; F33-W80 AromaticContact CD1-CZ3 3.29Å; F33-W80 HydrophobicContact CD1-CZ3 3.29Å; F33-W80 HydrophobicContact CE1-CD2 4.04Å; F33-W80 AromaticContact CE1-CE2 3.85Å; F33-W80 AromaticContact CE1-CE3 3.84Å; F33-W80 HydrophobicContact CE1-CE3 3.84Å; F33-W80 AromaticContact CE1-CH2 3.33Å; F33-W80 HydrophobicContact CE1-CH2 3.33Å; F33-W80 AromaticContact CE1-CZ2 3.52Å; F33-W80 HydrophobicContact CE1-CZ2 3.52Å; F33-W80 AromaticContact CE1-CZ3 3.49Å; F33-W80 HydrophobicContact CE1-CZ3 3.49Å; F33-W80 VanDerWaalsContact CE1-CZ3 3.49Å; F33-W80 HydrophobicContact CG-CH2 4.49Å; F33-W80 HydrophobicContact CG-CZ3 4.31Å; F33-W80 HydrophobicContact CZ-CH2 4.12Å; F33-W80 HydrophobicContact CZ-CZ2 4.16Å; F33-C81 CarbonylContact O-C 3.6Å; F33-C81 WeakPolarHBondContact O-CA 3.24Å; F33-C81 WeakPolarHBondContact O-CB 3.46Å; F33-V82 HydrophobicContact CB-CB 4.37Å; F33-V82 PolarHBondContact N-O 3.06Å; F33-V82 PolarHBondContact O-N 3.03Å; F33-A135 HydrophobicContact CE2-CB 3.56Å; F33-A135 HydrophobicContact CZ-CB 3.76Å; F33-E139 HydrophobicContact CD2-CB 4.29Å; F33-E139 HydrophobicContact CE2-CB 4.13Å; F33-F140 HydrophobicContact CE1-CE1 4.39Å; F33-F140 HydrophobicContact CE2-CD1 4.28Å; F33-F140 HydrophobicContact CE2-CE1 4.46Å; F33-F140 HydrophobicContact CE2-CG 4.48Å; F33-F140 AromaticContact CZ-CD1 3.73Å; F33-F140 HydrophobicContact CZ-CD1 3.73Å; F33-F140 AromaticContact CZ-CE1 3.57Å; F33-F140 HydrophobicContact CZ-CE1 3.57Å; F33-F140 HydrophobicContact CZ-CG 4.33Å; F33-F140 HydrophobicContact CZ-CZ 4.03Å; F33-I143 HydrophobicContact CB-CB 4.31Å; F33-I143 HydrophobicContact CB-CD1 3.59Å; F33-I143 HydrophobicContact CB-CG1 3.68Å; F33-I143 HydrophobicContact CD1-CG1 4.1Å; F33-I143 HydrophobicContact CD1-CG2 4.27Å; F33-I143 HydrophobicContact CD2-CB 3.85Å; F33-I143 HydrophobicContact CD2-CG1 4.1Å; F33-I143 HydrophobicContact CD2-CG2 3.75Å; F33-I143 HydrophobicContact CE1-CG2 4.25Å; F33-I143 HydrophobicContact CE2-CB 4.33Å; F33-I143 HydrophobicContact CE2-CG2 3.73Å; F33-I143 HydrophobicContact CG-CB 3.99Å; F33-I143 HydrophobicContact CG-CD1 4.18Å; F33-I143 HydrophobicContact CG-CG1 3.69Å; F33-I143 HydrophobicContact CG-CG2 4.03Å; F33-I143 HydrophobicContact CZ-CG2 4Å
34	A	97.3	Very high	96.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	138.4	167.1	0	0	0	0	0	108.5	D36 D37 A42 W68 W80 C81 A135	A34-D36 VanDerWaalsContact C-N 3.31Å; A34-D36 PolarHBondContact O-N 3Å; A34-D37 WeakPolarHBondContact CB-OD2 3.46Å; A34-A42 HydrophobicContact CB-CB 3.73Å; A34-W68 HydrophobicContact CB-CZ2 4.39Å; A34-W80 WeakPolarHBondContact CA-O 3.13Å; A34-C81 HydrophobicContact CB-CB 3.8Å; A34-A135 WeakPolarHBondContact O-CB 3.19Å
35	T	97.4	Very high	96.3	Very high	11 Å²	11	23.5 Å²	23.5	7%	0.067	13%	0.131	C	C	.	.	S	Bend	trans	-64.6	-36.3	-176.9	48.3	0	0	0	0	113	F33 D79 W80 A135 F140	F33-T35 HydrophobicContact CE1-CG2 3.75Å; F33-T35 HydrophobicContact CZ-CG2 4.16Å; T35-D79 VanDerWaalsContact OG1-CA 3.24Å; T35-D79 WeakPolarHBondContact OG1-CA 3.25Å; T35-D79 VanDerWaalsContact OG1-CB 3.28Å; T35-D79 WeakPolarHBondContact OG1-CB 3.32Å; T35-D79 PolarHBondContact OG1-OD1 3.23Å; T35-W80 VanDerWaalsContact CG2-CD1 3.42Å; T35-W80 HydrophobicContact CG2-CD2 4Å; T35-W80 HydrophobicContact CG2-CG 3.86Å; T35-W80 HydrophobicContact CG2-CZ2 4.41Å; T35-W80 VanDerWaalsContact CG2-NE1 3.29Å; T35-W80 PolarHBondContact N-O 2.7Å; T35-W80 PolarHBondContact OG1-N 2.81Å; T35-W80 VanDerWaalsContact OG1-N 3.09Å; T35-W80 PolarHBondContact OG1-O 2.69Å; T35-A135 PolarHBondContact O-N 2.99Å; T35-F140 HydrophobicContact CG2-CE1 4.13Å; T35-F140 HydrophobicContact CG2-CZ 4.25Å
36	D	97.3	Very high	96.5	Very high	14 Å²	14	19.5 Å²	19.5	8%	0.075	11%	0.112	C	C	.	.	B	Isolated β-bridge	trans	-154.5	141.5	-176.3	-171.5	-82.2	0	0	0	110	A34 F38 W68 T70 R71	A34-D36 VanDerWaalsContact C-N 3.31Å; A34-D36 PolarHBondContact O-N 3Å; D36-F38 WeakPolarHBondContact OD1-CB 3.39Å; D36-F38 PolarHBondContact OD1-N 3.26Å; D36-W68 PolarHBondContact O-NE1 2.89Å; D36-T70 HydrophobicContact CB-CG2 4.16Å; D36-T70 WeakPolarHBondContact O-CG2 3.39Å; D36-T70 WeakPolarHBondContact OD1-CA 3.39Å; D36-R71 PolarHBondContact OD1-N 3.23Å
37	D	96.8	Very high	96.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.108	C	C	.	.			trans	-139.2	36.2	-179.7	-69.4	-86.6	0	0	0	110.7	A34 P41 A42 W68 R127 T131 G132 A133	A34-D37 WeakPolarHBondContact CB-OD2 3.46Å; D37-P41 VanDerWaalsContact OD1-CA 3.3Å; D37-P41 WeakPolarHBondContact OD1-CA 3.1Å; D37-A42 WeakPolarHBondContact OD1-CB 3.15Å; D37-A42 PolarHBondContact OD1-N 3.49Å; D37-W68 VanDerWaalsContact OD1-CD1 3.28Å; D37-W68 PolarHBondContact OD1-NE1 3.42Å; D37-R127 VanDerWaalsContact CB-NH2 3.32Å; D37-R127 IonicContact OD1-CZ 2.71Å; D37-R127 IonicContact OD1-NH2 2.64Å; D37-R127 IonicContact OD2-CZ 3.14Å; D37-R127 IonicContact OD2-NE 2.6Å; D37-R127 PolarHBondContact OD2-NE 3.13Å; D37-R127 IonicContact OD2-NH1 3.4Å; D37-R127 IonicContact OD2-NH2 3Å; D37-R127 PolarHBondContact OD2-NH2 3.26Å; D37-T131 WeakPolarHBondContact O-CA 3.38Å; D37-G132 PolarHBondContact O-N 2.8Å; D37-A133 PolarHBondContact N-O 3.34Å
38	F	96.7	Very high	96.6	Very high	46 Å²	46	21.1 Å²	21.1	20%	0.202	12%	0.119	C	C	.	.	S	Bend	trans	-65.5	-46.6	-167.4	-172	-94.3	0	0	0	113.3	D36 F61 R71 T131 G132	D36-F38 WeakPolarHBondContact OD1-CB 3.39Å; D36-F38 PolarHBondContact OD1-N 3.26Å; F38-F61 HydrophobicContact CD1-CB 4.3Å; F38-F61 HydrophobicContact CE1-CB 4.09Å; F38-F61 HydrophobicContact CE1-CD1 4.48Å; F38-F61 HydrophobicContact CE2-CD1 4.14Å; F38-F61 HydrophobicContact CZ-CB 4.49Å; F38-F61 HydrophobicContact CZ-CD1 4.06Å; F38-F61 VanDerWaalsContact O-CB 3.27Å; F38-F61 WeakPolarHBondContact O-CB 3.5Å; F38-R71 HydrophobicContact CB-CB 4.15Å; F38-R71 VanDerWaalsContact CB-CD 3.49Å; F38-R71 HydrophobicContact CB-CG 3.42Å; F38-R71 VanDerWaalsContact CB-CG 3.42Å; F38-R71 HydrophobicContact CD1-CG 3.5Å; F38-R71 VanDerWaalsContact CD1-CG 3.5Å; F38-R71 HydrophobicContact CD2-CG 3.86Å; F38-R71 HydrophobicContact CE1-CG 4.16Å; F38-R71 HydrophobicContact CE2-CG 4.45Å; F38-R71 HydrophobicContact CG-CB 4.5Å; F38-R71 HydrophobicContact CG-CG 3.31Å; F38-T131 WeakPolarHBondContact O-CG2 3.33Å; F38-G132 VanDerWaalsContact O-CA 3.32Å; F38-G132 WeakPolarHBondContact O-CA 3.29Å; F38-G132 PolarHBondContact O-N 2.82Å
39	F	97	Very high	96.5	Very high	48 Å²	48	24.6 Å²	24.6	21%	0.211	13%	0.127	C	C	.	.	S	Bend	trans	-90.6	-42.4	-178.8	-67.1	-67.6	0	0	0	112	F61 E69 T70 T131	F39-F61 WeakPolarHBondContact CD1-O 3.46Å; F39-F61 WeakPolarHBondContact CE1-O 3.27Å; F39-E69 HydrophobicContact CB-CB 3.87Å; F39-E69 HydrophobicContact CB-CG 3.86Å; F39-E69 VanDerWaalsContact CB-OE2 3.26Å; F39-E69 WeakPolarHBondContact CB-OE2 3.2Å; F39-E69 HydrophobicContact CD2-CG 4.03Å; F39-E69 HydrophobicContact CG-CG 4.33Å; F39-E69 PolarHBondContact N-O 2.94Å; F39-E69 VanDerWaalsContact N-O 3.15Å; F39-T70 WeakPolarHBondContact CD2-O 3.48Å; F39-T131 WeakPolarHBondContact O-CG2 2.99Å
40	A	97.2	Very high	96.3	Very high	2 Å²	2	28.9 Å²	28.9	2%	0.017	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-152.2	139.9	177.9	0	0	0	0	0	112.7	M65 G67 E69	A40-M65 HydrophobicContact CB-CB 4.01Å; A40-M65 WeakPolarHBondContact CB-O 3.29Å; A40-G67 WeakPolarHBondContact CB-O 3.35Å; A40-E69 HydrophobicContact CB-CB 4.11Å; A40-E69 PolarHBondContact N-O 3.09Å; A40-E69 PolarHBondContact O-N 3.08Å
41	P	97.4	Very high	96.3	Very high	9 Å²	9	25.6 Å²	25.6	6%	0.058	14%	0.143	C	C	.	.			trans	-75.5	145	-170.6	28.8	-36	0	0	0	114.3	D37 E43 N44 I129	D37-P41 VanDerWaalsContact OD1-CA 3.3Å; D37-P41 WeakPolarHBondContact OD1-CA 3.1Å; P41-E43 WeakPolarHBondContact CB-OE2 3.38Å; P41-E43 PolarHBondContact O-N 3.19Å; P41-E43 VanDerWaalsContact O-N 3.16Å; P41-N44 WeakPolarHBondContact CD-ND2 3.28Å; P41-N44 VanDerWaalsContact O-CB 3.29Å; P41-N44 WeakPolarHBondContact O-CB 3.41Å; P41-N44 PolarHBondContact O-N 3.14Å; P41-N44 PolarHBondContact O-ND2 3.22Å; P41-I129 HydrophobicContact CB-CG2 3.97Å; P41-I129 HydrophobicContact CG-CG2 3.73Å
42	A	97.7	Very high	96.3	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-58.5	-26.1	179.6	0	0	0	0	0	113.7	I31 A34 D37 N44 L45 W68 C81	I31-A42 HydrophobicContact CG1-CB 4.23Å; I31-A42 HydrophobicContact CG2-CB 3.93Å; A34-A42 HydrophobicContact CB-CB 3.73Å; D37-A42 WeakPolarHBondContact OD1-CB 3.15Å; D37-A42 PolarHBondContact OD1-N 3.49Å; A42-N44 PolarHBondContact O-N 3.02Å; A42-N44 VanDerWaalsContact O-N 3.13Å; A42-L45 HydrophobicContact CB-CD1 4.36Å; A42-L45 VanDerWaalsContact O-CB 3.24Å; A42-L45 WeakPolarHBondContact O-CB 3.44Å; A42-L45 WeakPolarHBondContact O-CD1 3.13Å; A42-L45 VanDerWaalsContact O-CG 3.29Å; A42-L45 WeakPolarHBondContact O-CG 3.26Å; A42-L45 PolarHBondContact O-N 3.1Å; A42-W68 HydrophobicContact CB-CD2 4.28Å; A42-W68 HydrophobicContact CB-CG 3.94Å; A42-C81 HydrophobicContact CB-CB 4.46Å
43	E	96.9	Very high	96.2	Very high	29 Å²	29	31.3 Å²	31.3	14%	0.136	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-58	-25.8	175	-69.5	73	-158.2	0	0	112.3	I31 P41 L45 I46 R127 I129	I31-E43 HydrophobicContact CB-CG 4.41Å; I31-E43 HydrophobicContact CG1-CG 4.26Å; P41-E43 WeakPolarHBondContact CB-OE2 3.38Å; P41-E43 PolarHBondContact O-N 3.19Å; P41-E43 VanDerWaalsContact O-N 3.16Å; E43-L45 PolarHBondContact O-N 3.21Å; E43-I46 VanDerWaalsContact O-CG1 3.26Å; E43-I46 WeakPolarHBondContact O-CG1 3.24Å; E43-I46 PolarHBondContact O-N 3.49Å; E43-R127 IonicContact OE1-CZ 3.61Å; E43-R127 IonicContact OE1-NH1 3.89Å; E43-R127 PolarHBondContact OE1-NH1 3.37Å; E43-R127 IonicContact OE2-NH1 3.13Å; E43-R127 PolarHBondContact OE2-NH1 3.03Å; E43-I129 HydrophobicContact CB-CG1 4.47Å; E43-I129 HydrophobicContact CG-CG1 4.19Å
44	N	97.5	Very high	96.1	Very high	14 Å²	14	35 Å²	35	8%	0.075	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-63.8	-24.8	175.4	-66.3	-27.7	0	0	0	113.1	P41 A42 I46 K47 G67 R195	P41-N44 WeakPolarHBondContact CD-ND2 3.28Å; P41-N44 VanDerWaalsContact O-CB 3.29Å; P41-N44 WeakPolarHBondContact O-CB 3.41Å; P41-N44 PolarHBondContact O-N 3.14Å; P41-N44 PolarHBondContact O-ND2 3.22Å; A42-N44 PolarHBondContact O-N 3.02Å; A42-N44 VanDerWaalsContact O-N 3.13Å; N44-I46 PolarHBondContact O-N 3.45Å; N44-K47 PolarHBondContact O-N 3.47Å; N44-K47 WeakPolarHBondContact OD1-CE 3.39Å; N44-K47 PolarHBondContact OD1-NZ 2.8Å; N44-G67 VanDerWaalsContact CB-C 3.48Å; N44-G67 WeakPolarHBondContact CB-O 3.3Å; N44-G67 PolarHBondContact ND2-O 2.8Å; N44-R195 WeakPolarHBondContact O-CD 3.26Å; N44-R195 PolarHBondContact O-NH1 2.71Å; N44-R195 VanDerWaalsContact O-NH1 3.13Å
45	L	98.2	Very high	95.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-58.3	-35.5	179.8	-68.5	167.7	0	0	0	112.3	A42 E43 W68 L185 I193 R195 L196	A42-L45 HydrophobicContact CB-CD1 4.36Å; A42-L45 VanDerWaalsContact O-CB 3.24Å; A42-L45 WeakPolarHBondContact O-CB 3.44Å; A42-L45 WeakPolarHBondContact O-CD1 3.13Å; A42-L45 VanDerWaalsContact O-CG 3.29Å; A42-L45 WeakPolarHBondContact O-CG 3.26Å; A42-L45 PolarHBondContact O-N 3.1Å; E43-L45 PolarHBondContact O-N 3.21Å; L45-W68 HydrophobicContact CD1-CB 3.93Å; L45-W68 HydrophobicContact CD1-CD2 4.19Å; L45-W68 HydrophobicContact CD1-CE3 3.85Å; L45-W68 HydrophobicContact CD1-CG 4.26Å; L45-W68 HydrophobicContact CD2-CB 3.79Å; L45-W68 HydrophobicContact CG-CB 3.69Å; L45-L185 HydrophobicContact CD1-CD2 4Å; L45-L185 HydrophobicContact CD2-CD2 4.48Å; L45-I193 HydrophobicContact CD2-CB 3.84Å; L45-I193 HydrophobicContact CD2-CG2 3.54Å; L45-I193 WeakPolarHBondContact CD2-O 3.33Å; L45-R195 WeakPolarHBondContact O-CA 3.18Å; L45-L196 HydrophobicContact CB-CB 4.25Å; L45-L196 HydrophobicContact CD2-CB 4.42Å; L45-L196 PolarHBondContact O-N 3.08Å
46	I	97.6	Very high	95.6	Very high	5 Å²	5	52 Å²	52	3%	0.026	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-104.2	4.2	-168.9	59.2	166	0	0	0	113.8	A23 S24 E25 G29 I31 E43 N44 S48	A23-I46 HydrophobicContact CB-CG2 4.14Å; A23-I46 VanDerWaalsContact O-CB 3.3Å; A23-I46 WeakPolarHBondContact O-CB 3.45Å; A23-I46 WeakPolarHBondContact O-CG2 3.28Å; S24-I46 CarbonylContact C-O 3.56Å; S24-I46 WeakPolarHBondContact CA-O 3.28Å; E25-I46 HydrophobicContact CB-CD1 4.17Å; E25-I46 HydrophobicContact CB-CG1 4.3Å; E25-I46 PolarHBondContact N-O 2.95Å; G29-I46 WeakPolarHBondContact O-CD1 3.35Å; I31-I46 HydrophobicContact CD1-CD1 4.39Å; I31-I46 HydrophobicContact CD1-CG2 4.17Å; I31-I46 HydrophobicContact CG1-CD1 4.27Å; E43-I46 VanDerWaalsContact O-CG1 3.26Å; E43-I46 WeakPolarHBondContact O-CG1 3.24Å; E43-I46 PolarHBondContact O-N 3.49Å; N44-I46 PolarHBondContact O-N 3.45Å; I46-S48 PolarHBondContact O-N 2.76Å
47	K	96.7	Very high	95.5	Very high	52 Å²	52	55.2 Å²	55.2	23%	0.226	27%	0.272	C	S	.	.			trans	-57	138	174.7	-77.4	178.8	179.8	168.8	0	111.4	E25 N44 D49 D66 R197	E25-K47 WeakPolarHBondContact OE1-CA 3.19Å; N44-K47 PolarHBondContact O-N 3.47Å; N44-K47 WeakPolarHBondContact OD1-CE 3.39Å; N44-K47 PolarHBondContact OD1-NZ 2.8Å; K47-D49 VanDerWaalsContact C-N 3.31Å; K47-D49 PolarHBondContact O-N 2.53Å; K47-D66 IonicContact NZ-OD1 2.83Å; K47-D66 PolarHBondContact NZ-OD1 2.94Å; K47-R197 PolarHBondContact O-NH1 3.27Å; K47-R197 PolarHBondContact O-NH2 3Å
48	S	92.1	Very high	95.4	Very high	52 Å²	52	63.1 Å²	63.1	36%	0.364	30%	0.303	S	S	.	.	S	Bend	trans	-66.5	-32.7	179.5	51.9	0	0	0	0	113.1	I46 R197	I46-S48 PolarHBondContact O-N 2.76Å; S48-R197 PolarHBondContact O-NH2 3.34Å
49	D	92.3	Very high	95.3	Very high	115 Å²	115	63 Å²	63	62%	0.615	31%	0.306	S	S	*	.	S	Bend	trans	-76.1	152.6	-176.8	-58.6	-37.3	0	0	0	112.1	K47 R195 R197	K47-D49 VanDerWaalsContact C-N 3.31Å; K47-D49 PolarHBondContact O-N 2.53Å; D49-R195 PolarHBondContact O-NE 3.36Å; D49-R195 PolarHBondContact O-NH2 3.01Å; D49-R197 PolarHBondContact O-NH2 3.11Å
50	S	92.5	Very high	95.2	Very high	98 Å²	98	69 Å²	69	69%	0.685	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-57.2	147.4	168.4	-63	0	0	0	0	110.6	R195	S50-R195 PolarHBondContact O-NH2 2.62Å
51	P	95.4	Very high	95.1	Very high	12 Å²	12	71.6 Å²	71.6	8%	0.078	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-61.8	152.3	175.4	28.1	-32.9	0	0	0	110.6	D66 D97 Y100 A194 R195	P51-D66 WeakPolarHBondContact CA-OD2 3.42Å; P51-D97 VanDerWaalsContact CG-OD2 3.28Å; P51-D97 WeakPolarHBondContact CG-OD2 3.44Å; P51-Y100 HydrophobicContact CB-CD2 4.02Å; P51-Y100 HydrophobicContact CB-CE2 4.03Å; P51-Y100 HydrophobicContact CG-CD2 4.26Å; P51-Y100 HydrophobicContact CG-CE2 4.06Å; P51-Y100 VanDerWaalsContact O-CE2 3.25Å; P51-Y100 WeakPolarHBondContact O-CE2 3.4Å; P51-A194 HydrophobicContact CB-CB 3.8Å; P51-A194 HydrophobicContact CG-CB 3.85Å; P51-R195 HydrophobicContact CG-CG 4.34Å
52	C	95.3	Very high	94.9	Very high	55 Å²	55	72.3 Å²	72.3	37%	0.372	36%	0.355	S	S	.	.			trans	-132.5	155.7	175.1	67.4	0	0	0	0	111.4	D66	C52-D66 PolarHBondContact N-OD2 2.81Å; C52-D66 VanDerWaalsContact O-CB 3.24Å; C52-D66 WeakPolarHBondContact O-CB 2.99Å; C52-D66 PolarHBondContact SG-OD2 3.48Å
53	F	93.7	Very high	94.7	Very high	94 Å²	94	74.4 Å²	74.4	41%	0.412	36%	0.364	S	S	.	.			trans	-119.1	131.9	176.8	-177.6	-102.9	0	0	0	110.8	E55 K63 M65 Y100	F53-E55 HydrophobicContact CE1-CB 4.15Å; F53-E55 HydrophobicContact CE1-CG 4.48Å; F53-K63 HydrophobicContact CE2-CG 4.48Å; F53-K63 VanDerWaalsContact CZ-CE 3.46Å; F53-M65 HydrophobicContact CD2-SD 4.47Å; F53-M65 HydrophobicContact CE2-SD 4.24Å; F53-Y100 HydrophobicContact CB-CD1 3.31Å; F53-Y100 HydrophobicContact CB-CD2 4.42Å; F53-Y100 HydrophobicContact CB-CE1 3.58Å; F53-Y100 HydrophobicContact CB-CG 3.74Å; F53-Y100 HydrophobicContact CG-CD1 4.1Å
54	K	94.5	Very high	94.7	Very high	79 Å²	79	75.6 Å²	75.6	34%	0.343	37%	0.367	S	S	.	.			trans	-116.5	99.2	-179	-62.3	-176.3	-174.7	-177.6	0	109.5	R56 E57 K63 W64	K54-R56 PolarHBondContact O-N 2.88Å; K54-R56 VanDerWaalsContact O-N 3.07Å; K54-E57 HydrophobicContact CB-CB 3.93Å; K54-E57 HydrophobicContact CB-CG 3.94Å; K54-E57 HydrophobicContact CD-CB 4.43Å; K54-E57 HydrophobicContact CD-CG 3.98Å; K54-E57 WeakPolarHBondContact CD-OE1 3.27Å; K54-E57 WeakPolarHBondContact CD-OE2 3.23Å; K54-E57 IonicContact NZ-OE1 2.81Å; K54-E57 PolarHBondContact NZ-OE1 3.49Å; K54-E57 IonicContact NZ-OE2 2.7Å; K54-E57 PolarHBondContact NZ-OE2 3.01Å; K54-E57 PolarHBondContact O-N 3.03Å; K54-E57 VanDerWaalsContact O-N 3.14Å; K54-K63 PolarHBondContact O-NZ 3.28Å; K54-W64 HydrophobicContact CB-CE3 3.87Å; K54-W64 HydrophobicContact CB-CZ3 3.98Å; K54-W64 HydrophobicContact CD-CD2 4.42Å; K54-W64 HydrophobicContact CD-CE3 3.89Å; K54-W64 HydrophobicContact CD-CH2 3.96Å; K54-W64 HydrophobicContact CD-CZ2 4.5Å; K54-W64 HydrophobicContact CD-CZ3 3.65Å; K54-W64 HydrophobicContact CG-CE3 3.93Å; K54-W64 HydrophobicContact CG-CH2 4.19Å; K54-W64 HydrophobicContact CG-CZ3 3.53Å
55	E	91.1	Very high	94.6	Very high	145 Å²	145	75.3 Å²	75.3	68%	0.678	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-35.2	-169.1	-171.6	-179	-163	0	0	114.1	F53 K63	F53-E55 HydrophobicContact CE1-CB 4.15Å; F53-E55 HydrophobicContact CE1-CG 4.48Å; E55-K63 PolarHBondContact O-NZ 2.83Å
56	R	94.3	Very high	94.5	Very high	223 Å²	223	75.9 Å²	75.9	84%	0.842	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	-0.9	-175.3	-59.3	-176.9	-175.3	-176.7	0.6	114.9	K54	K54-R56 PolarHBondContact O-N 2.88Å; K54-R56 VanDerWaalsContact O-N 3.07Å
57	E	95.1	Very high	94.5	Very high	81 Å²	81	75.7 Å²	75.7	38%	0.379	37%	0.368	S	S	.	.			trans	-89.2	135.4	-179.9	-69.2	-167.5	-166.9	0	0	111.9	K54 K63 W64	K54-E57 HydrophobicContact CB-CB 3.93Å; K54-E57 HydrophobicContact CB-CG 3.94Å; K54-E57 HydrophobicContact CD-CB 4.43Å; K54-E57 HydrophobicContact CD-CG 3.98Å; K54-E57 WeakPolarHBondContact CD-OE1 3.27Å; K54-E57 WeakPolarHBondContact CD-OE2 3.23Å; K54-E57 IonicContact NZ-OE1 2.81Å; K54-E57 PolarHBondContact NZ-OE1 3.49Å; K54-E57 IonicContact NZ-OE2 2.7Å; K54-E57 PolarHBondContact NZ-OE2 3.01Å; K54-E57 PolarHBondContact O-N 3.03Å; K54-E57 VanDerWaalsContact O-N 3.14Å; E57-K63 PolarHBondContact O-NZ 2.99Å; E57-W64 HydrophobicContact CB-CB 3.91Å; E57-W64 HydrophobicContact CB-CG 4.38Å; E57-W64 PolarHBondContact O-N 2.89Å
58	Y	94.8	Very high	94.6	Very high	166 Å²	166	73.2 Å²	73.2	65%	0.651	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.1	145.9	175.8	-71.7	-96.3	0	0	0	108.1	G62 K63	Y58-G62 CarbonylContact C-O 3.46Å; Y58-G62 WeakPolarHBondContact CA-O 3.24Å; Y58-K63 HydrophobicContact CD1-CB 4.42Å; Y58-K63 HydrophobicContact CD1-CD 4.21Å; Y58-K63 HydrophobicContact CE1-CB 4.27Å; Y58-K63 HydrophobicContact CE1-CD 3.76Å; Y58-K63 HydrophobicContact CE2-CD 4.32Å
59	T	94	Very high	94.9	Very high	43 Å²	43	71.6 Å²	71.6	26%	0.264	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	173.7	168	70	0	0	0	0	108.9	F61 G62 W64	T59-F61 PolarHBondContact O-N 2.9Å; T59-F61 VanDerWaalsContact O-N 3.17Å; T59-F61 PolarHBondContact OG1-N 3.48Å; T59-F61 VanDerWaalsContact OG1-N 3.16Å; T59-G62 PolarHBondContact N-O 3.17Å; T59-G62 PolarHBondContact O-N 3.14Å; T59-G62 PolarHBondContact OG1-N 3.38Å; T59-G62 PolarHBondContact OG1-O 2.89Å; T59-W64 HydrophobicContact CG2-CB 4.18Å; T59-W64 HydrophobicContact CG2-CG 4.49Å
60	E	94.8	Very high	95.2	Very high	175 Å²	175	66.3 Å²	66.3	82%	0.818	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-15.4	170.6	67.2	-172.3	136.6	0	0	113.2
61	F	94.8	Very high	95.4	Very high	57 Å²	57	68 Å²	68	25%	0.25	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-8.3	-178.3	-52.6	-68.5	0	0	0	113.7	F38 F39 T59 T131	F38-F61 HydrophobicContact CD1-CB 4.3Å; F38-F61 HydrophobicContact CE1-CB 4.09Å; F38-F61 HydrophobicContact CE1-CD1 4.48Å; F38-F61 HydrophobicContact CE2-CD1 4.14Å; F38-F61 HydrophobicContact CZ-CB 4.49Å; F38-F61 HydrophobicContact CZ-CD1 4.06Å; F38-F61 VanDerWaalsContact O-CB 3.27Å; F38-F61 WeakPolarHBondContact O-CB 3.5Å; F39-F61 WeakPolarHBondContact CD1-O 3.46Å; F39-F61 WeakPolarHBondContact CE1-O 3.27Å; T59-F61 PolarHBondContact O-N 2.9Å; T59-F61 VanDerWaalsContact O-N 3.17Å; T59-F61 PolarHBondContact OG1-N 3.48Å; T59-F61 VanDerWaalsContact OG1-N 3.16Å; F61-T131 HydrophobicContact CD2-CG2 3.66Å; F61-T131 HydrophobicContact CE2-CG2 4.3Å; F61-T131 VanDerWaalsContact CE2-O 3.25Å; F61-T131 WeakPolarHBondContact CE2-O 3.4Å; F61-T131 HydrophobicContact CG-CG2 4.48Å
62	G	93.6	Very high	95.4	Very high	24 Å²	24	75.7 Å²	75.7	25%	0.247	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	147	-152.4	178.7	0	0	0	0	0	113.8	Y58 T59	Y58-G62 CarbonylContact C-O 3.46Å; Y58-G62 WeakPolarHBondContact CA-O 3.24Å; T59-G62 PolarHBondContact N-O 3.17Å; T59-G62 PolarHBondContact O-N 3.14Å; T59-G62 PolarHBondContact OG1-N 3.38Å; T59-G62 PolarHBondContact OG1-O 2.89Å
63	K	94.4	Very high	95.4	Very high	43 Å²	43	75.4 Å²	75.4	19%	0.187	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	136.9	175.4	-176.3	65.6	-168.9	154.8	0	109.2	F53 K54 E55 E57 Y58 M65	F53-K63 HydrophobicContact CE2-CG 4.48Å; F53-K63 VanDerWaalsContact CZ-CE 3.46Å; K54-K63 PolarHBondContact O-NZ 3.28Å; E55-K63 PolarHBondContact O-NZ 2.83Å; E57-K63 PolarHBondContact O-NZ 2.99Å; Y58-K63 HydrophobicContact CD1-CB 4.42Å; Y58-K63 HydrophobicContact CD1-CD 4.21Å; Y58-K63 HydrophobicContact CE1-CB 4.27Å; Y58-K63 HydrophobicContact CE1-CD 3.76Å; Y58-K63 HydrophobicContact CE2-CD 4.32Å; K63-M65 HydrophobicContact CB-SD 4.48Å; K63-M65 HydrophobicContact CG-SD 3.82Å; K63-M65 PolarHBondContact O-N 3.41Å
64	W	95.9	Very high	95.5	Very high	54 Å²	54	81 Å²	81	21%	0.205	35%	0.345	C	S	.	.			trans	-71.8	126.4	171.4	178.9	87.4	0	0	0	109.8	K54 E57 T59 D66	K54-W64 HydrophobicContact CB-CE3 3.87Å; K54-W64 HydrophobicContact CB-CZ3 3.98Å; K54-W64 HydrophobicContact CD-CD2 4.42Å; K54-W64 HydrophobicContact CD-CE3 3.89Å; K54-W64 HydrophobicContact CD-CH2 3.96Å; K54-W64 HydrophobicContact CD-CZ2 4.5Å; K54-W64 HydrophobicContact CD-CZ3 3.65Å; K54-W64 HydrophobicContact CG-CE3 3.93Å; K54-W64 HydrophobicContact CG-CH2 4.19Å; K54-W64 HydrophobicContact CG-CZ3 3.53Å; E57-W64 HydrophobicContact CB-CB 3.91Å; E57-W64 HydrophobicContact CB-CG 4.38Å; E57-W64 PolarHBondContact O-N 2.89Å; T59-W64 HydrophobicContact CG2-CB 4.18Å; T59-W64 HydrophobicContact CG2-CG 4.49Å; W64-D66 HydrophobicContact CH2-CB 3.58Å; W64-D66 HydrophobicContact CZ2-CB 4.2Å; W64-D66 HydrophobicContact CZ3-CB 3.96Å
65	M	95.5	Very high	95.5	Very high	8 Å²	8	83.1 Å²	83.1	4%	0.039	36%	0.359	C	S	.	.			trans	-124.9	137.6	179.5	-60	-58.9	-80.8	0	0	110.9	A40 F53 K63 G67 E69 Y100 F101	A40-M65 HydrophobicContact CB-CB 4.01Å; A40-M65 WeakPolarHBondContact CB-O 3.29Å; F53-M65 HydrophobicContact CD2-SD 4.47Å; F53-M65 HydrophobicContact CE2-SD 4.24Å; K63-M65 HydrophobicContact CB-SD 4.48Å; K63-M65 HydrophobicContact CG-SD 3.82Å; K63-M65 PolarHBondContact O-N 3.41Å; M65-G67 VanDerWaalsContact C-N 3.33Å; M65-G67 PolarHBondContact O-N 3.19Å; M65-E69 WeakPolarHBondContact CG-OE2 3.36Å; M65-Y100 WeakPolarHBondContact CE-O 3.27Å; M65-F101 HydrophobicContact CB-CE1 4.07Å; M65-F101 HydrophobicContact CB-CZ 3.95Å; M65-F101 HydrophobicContact CE-CD1 3.54Å; M65-F101 HydrophobicContact CE-CD2 4.49Å; M65-F101 HydrophobicContact CE-CE1 3.44Å; M65-F101 VanDerWaalsContact CE-CE1 3.44Å; M65-F101 HydrophobicContact CE-CE2 4.4Å; M65-F101 HydrophobicContact CE-CG 4.1Å; M65-F101 HydrophobicContact CE-CZ 3.93Å; M65-F101 HydrophobicContact CG-CE1 4.13Å; M65-F101 HydrophobicContact CG-CZ 4.49Å
66	D	96.9	Very high	95.8	Very high	13 Å²	13	82.3 Å²	82.3	7%	0.07	37%	0.367	C	S	.	.	S	Bend	trans	-93.9	65.6	175.1	-166.3	15	0	0	0	110.7	K47 P51 C52 W64 R195	K47-D66 IonicContact NZ-OD1 2.83Å; K47-D66 PolarHBondContact NZ-OD1 2.94Å; P51-D66 WeakPolarHBondContact CA-OD2 3.42Å; C52-D66 PolarHBondContact N-OD2 2.81Å; C52-D66 VanDerWaalsContact O-CB 3.24Å; C52-D66 WeakPolarHBondContact O-CB 2.99Å; C52-D66 PolarHBondContact SG-OD2 3.48Å; W64-D66 HydrophobicContact CH2-CB 3.58Å; W64-D66 HydrophobicContact CZ2-CB 4.2Å; W64-D66 HydrophobicContact CZ3-CB 3.96Å; D66-R195 VanDerWaalsContact CG-NH2 3.27Å; D66-R195 PolarHBondContact O-NH1 3.46Å; D66-R195 IonicContact OD1-CZ 2.76Å; D66-R195 IonicContact OD1-NH1 3.63Å; D66-R195 PolarHBondContact OD1-NH1 2.88Å; D66-R195 IonicContact OD1-NH2 3.78Å; D66-R195 PolarHBondContact OD1-NH2 2.85Å; D66-R195 IonicContact OD2-CZ 3.59Å; D66-R195 IonicContact OD2-NH1 2.53Å; D66-R195 IonicContact OD2-NH2 2.88Å; D66-R195 PolarHBondContact OD2-NH2 2.74Å
67	G	97.3	Very high	95.9	Very high	0 Å²	0	74.4 Å²	74.4	0%	0	35%	0.354	C	S	.	.	S	Bend	trans	-168.6	-174	-179.3	0	0	0	0	0	110.7	A40 N44 M65 I193	A40-G67 WeakPolarHBondContact CB-O 3.35Å; N44-G67 VanDerWaalsContact CB-C 3.48Å; N44-G67 WeakPolarHBondContact CB-O 3.3Å; N44-G67 PolarHBondContact ND2-O 2.8Å; M65-G67 VanDerWaalsContact C-N 3.33Å; M65-G67 PolarHBondContact O-N 3.19Å; G67-I193 CarbonylContact C-O 3.49Å; G67-I193 VanDerWaalsContact CA-O 3.3Å; G67-I193 WeakPolarHBondContact CA-O 3.49Å
68	W	98.3	Very high	96.1	Very high	0 Å²	0	72.9 Å²	72.9	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	128.9	164.1	-178	36.4	0	0	0	108.7	A34 D36 D37 A42 L45 T70 D79 C81 L185 I187 G192 I193	A34-W68 HydrophobicContact CB-CZ2 4.39Å; D36-W68 PolarHBondContact O-NE1 2.89Å; D37-W68 VanDerWaalsContact OD1-CD1 3.28Å; D37-W68 PolarHBondContact OD1-NE1 3.42Å; A42-W68 HydrophobicContact CB-CD2 4.28Å; A42-W68 HydrophobicContact CB-CG 3.94Å; L45-W68 HydrophobicContact CD1-CB 3.93Å; L45-W68 HydrophobicContact CD1-CD2 4.19Å; L45-W68 HydrophobicContact CD1-CE3 3.85Å; L45-W68 HydrophobicContact CD1-CG 4.26Å; L45-W68 HydrophobicContact CD2-CB 3.79Å; L45-W68 HydrophobicContact CG-CB 3.69Å; W68-T70 HydrophobicContact CD2-CG2 4.38Å; W68-T70 HydrophobicContact CH2-CG2 4.36Å; W68-T70 HydrophobicContact CZ2-CG2 3.54Å; W68-D79 HydrophobicContact CH2-CB 4.29Å; W68-D79 HydrophobicContact CZ2-CB 4.35Å; W68-C81 HydrophobicContact CH2-CB 4.09Å; W68-C81 HydrophobicContact CZ2-CB 4.24Å; W68-C81 HydrophobicContact CZ3-CB 4.36Å; W68-L185 HydrophobicContact CE3-CD2 4.18Å; W68-L185 HydrophobicContact CZ3-CD2 4.04Å; W68-L185 HydrophobicContact CZ3-CG 4.37Å; W68-I187 HydrophobicContact CE3-CD1 4.19Å; W68-I187 HydrophobicContact CH2-CD1 3.83Å; W68-I187 HydrophobicContact CH2-CG1 3.91Å; W68-I187 HydrophobicContact CZ2-CD1 4.37Å; W68-I187 HydrophobicContact CZ3-CD1 3.76Å; W68-I187 HydrophobicContact CZ3-CG1 3.92Å; W68-I187 HydrophobicContact CZ3-CG2 3.97Å; W68-G192 CarbonylContact O-C 3.55Å; W68-G192 WeakPolarHBondContact O-CA 3.39Å; W68-I193 PolarHBondContact N-O 2.84Å; W68-I193 PolarHBondContact O-N 2.92Å
69	E	98.2	Very high	96.2	Very high	19 Å²	19	65.1 Å²	65.1	9%	0.089	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	121.8	176.3	-171	-169.2	-178.4	0	0	110.7	F39 A40 M65 F101	F39-E69 HydrophobicContact CB-CB 3.87Å; F39-E69 HydrophobicContact CB-CG 3.86Å; F39-E69 VanDerWaalsContact CB-OE2 3.26Å; F39-E69 WeakPolarHBondContact CB-OE2 3.2Å; F39-E69 HydrophobicContact CD2-CG 4.03Å; F39-E69 HydrophobicContact CG-CG 4.33Å; F39-E69 PolarHBondContact N-O 2.94Å; F39-E69 VanDerWaalsContact N-O 3.15Å; A40-E69 HydrophobicContact CB-CB 4.11Å; A40-E69 PolarHBondContact N-O 3.09Å; A40-E69 PolarHBondContact O-N 3.08Å; M65-E69 WeakPolarHBondContact CG-OE2 3.36Å; E69-F101 HydrophobicContact CB-CE1 3.78Å; E69-F101 HydrophobicContact CB-CZ 4.26Å; E69-F101 HydrophobicContact CG-CE1 3.93Å
70	T	98.1	Very high	96.5	Very high	3 Å²	3	64.5 Å²	64.5	2%	0.018	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-95.7	160.7	-177	70.3	0	0	0	0	112.6	D36 F39 W68 D79 I187 D190 G191	D36-T70 HydrophobicContact CB-CG2 4.16Å; D36-T70 WeakPolarHBondContact O-CG2 3.39Å; D36-T70 WeakPolarHBondContact OD1-CA 3.39Å; F39-T70 WeakPolarHBondContact CD2-O 3.48Å; W68-T70 HydrophobicContact CD2-CG2 4.38Å; W68-T70 HydrophobicContact CH2-CG2 4.36Å; W68-T70 HydrophobicContact CZ2-CG2 3.54Å; T70-D79 VanDerWaalsContact CB-OD2 3.24Å; T70-D79 WeakPolarHBondContact CB-OD2 3.15Å; T70-D79 HydrophobicContact CG2-CB 3.85Å; T70-D79 PolarHBondContact OG1-OD2 2.82Å; T70-I187 HydrophobicContact CG2-CD1 3.99Å; T70-D190 WeakPolarHBondContact OG1-CB 3.37Å; T70-G191 PolarHBondContact N-O 2.82Å; T70-G191 PolarHBondContact OG1-N 3.02Å
71	R	96.7	Very high	96.6	Very high	133 Å²	133	56.1 Å²	56.1	50%	0.502	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-57.4	141	167.7	-99.7	159.1	59.3	126.9	5.7	111.7	D36 F38 K73	D36-R71 PolarHBondContact OD1-N 3.23Å; F38-R71 HydrophobicContact CB-CB 4.15Å; F38-R71 VanDerWaalsContact CB-CD 3.49Å; F38-R71 HydrophobicContact CB-CG 3.42Å; F38-R71 VanDerWaalsContact CB-CG 3.42Å; F38-R71 HydrophobicContact CD1-CG 3.5Å; F38-R71 VanDerWaalsContact CD1-CG 3.5Å; F38-R71 HydrophobicContact CD2-CG 3.86Å; F38-R71 HydrophobicContact CE1-CG 4.16Å; F38-R71 HydrophobicContact CE2-CG 4.45Å; F38-R71 HydrophobicContact CG-CB 4.5Å; F38-R71 HydrophobicContact CG-CG 3.31Å; R71-K73 PolarHBondContact O-N 3.28Å
72	R	96.8	Very high	96.8	Very high	174 Å²	174	53.4 Å²	53.4	66%	0.657	26%	0.259	S	S	*	.	P	Polyproline II helix	trans	-51.1	117.5	167.6	-66.3	-168.2	179.6	-155.1	-1.2	110.7	R74	R72-R74 PolarHBondContact O-N 2.83Å
73	K	95.8	Very high	96.9	Very high	50 Å²	50	52.3 Å²	52.3	22%	0.217	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-80.3	125.9	-174.8	-161.4	169.6	-73	-81.4	0	109.7	R71 I75 G77 H78 D79 P189 D190	R71-K73 PolarHBondContact O-N 3.28Å; K73-I75 HydrophobicContact CG-CG1 3.9Å; K73-I75 WeakPolarHBondContact CG-O 3.27Å; K73-G77 VanDerWaalsContact CD-O 3.28Å; K73-G77 WeakPolarHBondContact CD-O 3.08Å; K73-H78 VanDerWaalsContact CE-C 3.45Å; K73-D79 VanDerWaalsContact CE-OD1 3.27Å; K73-D79 WeakPolarHBondContact CE-OD1 3.41Å; K73-D79 VanDerWaalsContact CE-OD2 3.23Å; K73-D79 WeakPolarHBondContact CE-OD2 3.07Å; K73-D79 IonicContact NZ-OD1 2.76Å; K73-D79 PolarHBondContact NZ-OD1 3.05Å; K73-D79 IonicContact NZ-OD2 3.29Å; K73-P189 HydrophobicContact CB-CB 4.49Å; K73-P189 VanDerWaalsContact CE-O 3.27Å; K73-P189 WeakPolarHBondContact CE-O 3.22Å; K73-D190 WeakPolarHBondContact CA-OD2 2.9Å; K73-D190 HydrophobicContact CB-CB 4.01Å; K73-D190 WeakPolarHBondContact CB-OD2 3.47Å; K73-D190 VanDerWaalsContact N-CG 3.29Å; K73-D190 PolarHBondContact N-OD2 3.12Å
74	R	95.8	Very high	97	Very high	212 Å²	212	54 Å²	54	80%	0.8	25%	0.252	S	S	*	.			trans	-124.7	19.1	176.3	-60.8	-174	179.1	100.7	-6.1	111.8	R72	R72-R74 PolarHBondContact O-N 2.83Å
75	I	94.6	Very high	97.1	Very high	122 Å²	122	51.6 Å²	51.6	63%	0.626	24%	0.243	S	C	*	.	S	Bend	trans	-130.5	162.5	-179.2	61.3	170.1	0	0	0	109	K73	K73-I75 HydrophobicContact CG-CG1 3.9Å; K73-I75 WeakPolarHBondContact CG-O 3.27Å
76	P	96.8	Very high	97.1	Very high	129 Å²	129	52.6 Å²	52.6	84%	0.838	26%	0.255	S	S	*	.	S	Bend	trans	-58.7	148.1	176	-24.7	35.5	0	0	0	113.1
77	G	96.1	Very high	97.1	Very high	56 Å²	56	52 Å²	52	58%	0.577	25%	0.252	S	S	*	.	S	Bend	trans	104.4	-163.7	176.2	0	0	0	0	0	113.8	K73	K73-G77 VanDerWaalsContact CD-O 3.28Å; K73-G77 WeakPolarHBondContact CD-O 3.08Å
78	H	98.4	Very high	97	Very high	50 Å²	50	53.6 Å²	53.6	23%	0.231	26%	0.259	C	S	.	.			trans	-145.9	166.8	-177.9	68.6	-83.1	0	0	0	110.3	K73 W80 N186 I187 F188 P189	K73-H78 VanDerWaalsContact CE-C 3.45Å; H78-W80 AromaticContact NE2-CD1 3.97Å; H78-N186 PolarHBondContact NE2-OD1 2.89Å; H78-I187 WeakPolarHBondContact CB-O 3.36Å; H78-F188 HydrophobicContact CB-CD1 3.52Å; H78-F188 HydrophobicContact CB-CE1 3.95Å; H78-F188 HydrophobicContact CB-CG 4.32Å; H78-F188 AromaticContact CD2-CD1 3.8Å; H78-F188 AromaticContact CD2-CE1 3.38Å; H78-F188 WeakPolarHBondContact CD2-CE1 3.4Å; H78-F188 AromaticContact CD2-CZ 3.87Å; H78-F188 AromaticContact CE1-CE1 3.69Å; H78-F188 AromaticContact CG-CD1 3.49Å; H78-F188 VanDerWaalsContact CG-CD1 3.49Å; H78-F188 AromaticContact CG-CE1 3.35Å; H78-F188 AromaticContact ND1-CE1 3.56Å; H78-F188 AromaticContact NE2-CE1 3.6Å; H78-F188 AromaticContact NE2-CZ 3.91Å; H78-P189 CarbonylContact C-O 3.5Å; H78-P189 VanDerWaalsContact CA-O 3.26Å; H78-P189 WeakPolarHBondContact CA-O 3.17Å
79	D	98.6	Very high	96.9	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.016	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	145.4	178.6	-73.5	-42	0	0	0	111.9	T35 W68 T70 K73 I187 P189	T35-D79 VanDerWaalsContact OG1-CA 3.24Å; T35-D79 WeakPolarHBondContact OG1-CA 3.25Å; T35-D79 VanDerWaalsContact OG1-CB 3.28Å; T35-D79 WeakPolarHBondContact OG1-CB 3.32Å; T35-D79 PolarHBondContact OG1-OD1 3.23Å; W68-D79 HydrophobicContact CH2-CB 4.29Å; W68-D79 HydrophobicContact CZ2-CB 4.35Å; T70-D79 VanDerWaalsContact CB-OD2 3.24Å; T70-D79 WeakPolarHBondContact CB-OD2 3.15Å; T70-D79 HydrophobicContact CG2-CB 3.85Å; T70-D79 PolarHBondContact OG1-OD2 2.82Å; K73-D79 VanDerWaalsContact CE-OD1 3.27Å; K73-D79 WeakPolarHBondContact CE-OD1 3.41Å; K73-D79 VanDerWaalsContact CE-OD2 3.23Å; K73-D79 WeakPolarHBondContact CE-OD2 3.07Å; K73-D79 IonicContact NZ-OD1 2.76Å; K73-D79 PolarHBondContact NZ-OD1 3.05Å; K73-D79 IonicContact NZ-OD2 3.29Å; D79-I187 HydrophobicContact CB-CD1 3.98Å; D79-I187 HydrophobicContact CB-CG1 3.7Å; D79-I187 PolarHBondContact N-O 3.26Å; D79-I187 WeakPolarHBondContact O-CG1 3.44Å; D79-I187 PolarHBondContact O-N 2.76Å; D79-I187 VanDerWaalsContact O-O 3.06Å; D79-P189 PolarHBondContact N-O 2.75Å
80	W	98.6	Very high	96.8	Very high	29 Å²	29	52.8 Å²	52.8	11%	0.11	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	157	-179.1	58.2	-85.2	0	0	0	111.4	F33 A34 T35 H78 V82 I143 R184 L185 N186	F33-W80 HydrophobicContact CD1-CD2 4.41Å; F33-W80 AromaticContact CD1-CE3 3.76Å; F33-W80 HydrophobicContact CD1-CE3 3.76Å; F33-W80 AromaticContact CD1-CH2 3.56Å; F33-W80 HydrophobicContact CD1-CH2 3.56Å; F33-W80 HydrophobicContact CD1-CZ2 4.21Å; F33-W80 AromaticContact CD1-CZ3 3.29Å; F33-W80 HydrophobicContact CD1-CZ3 3.29Å; F33-W80 HydrophobicContact CE1-CD2 4.04Å; F33-W80 AromaticContact CE1-CE2 3.85Å; F33-W80 AromaticContact CE1-CE3 3.84Å; F33-W80 HydrophobicContact CE1-CE3 3.84Å; F33-W80 AromaticContact CE1-CH2 3.33Å; F33-W80 HydrophobicContact CE1-CH2 3.33Å; F33-W80 AromaticContact CE1-CZ2 3.52Å; F33-W80 HydrophobicContact CE1-CZ2 3.52Å; F33-W80 AromaticContact CE1-CZ3 3.49Å; F33-W80 HydrophobicContact CE1-CZ3 3.49Å; F33-W80 VanDerWaalsContact CE1-CZ3 3.49Å; F33-W80 HydrophobicContact CG-CH2 4.49Å; F33-W80 HydrophobicContact CG-CZ3 4.31Å; F33-W80 HydrophobicContact CZ-CH2 4.12Å; F33-W80 HydrophobicContact CZ-CZ2 4.16Å; A34-W80 WeakPolarHBondContact CA-O 3.13Å; T35-W80 VanDerWaalsContact CG2-CD1 3.42Å; T35-W80 HydrophobicContact CG2-CD2 4Å; T35-W80 HydrophobicContact CG2-CG 3.86Å; T35-W80 HydrophobicContact CG2-CZ2 4.41Å; T35-W80 VanDerWaalsContact CG2-NE1 3.29Å; T35-W80 PolarHBondContact N-O 2.7Å; T35-W80 PolarHBondContact OG1-N 2.81Å; T35-W80 VanDerWaalsContact OG1-N 3.09Å; T35-W80 PolarHBondContact OG1-O 2.69Å; H78-W80 AromaticContact NE2-CD1 3.97Å; W80-V82 HydrophobicContact CE3-CG2 3.93Å; W80-V82 HydrophobicContact CZ3-CG2 3.55Å; W80-I143 HydrophobicContact CH2-CG1 4.01Å; W80-I143 HydrophobicContact CH2-CG2 3.67Å; W80-I143 HydrophobicContact CZ2-CG2 4.45Å; W80-I143 HydrophobicContact CZ3-CG1 4.08Å; W80-R184 HydrophobicContact CE3-CG 4.07Å; W80-L185 CarbonylContact C-O 3.57Å; W80-L185 WeakPolarHBondContact CA-O 3.42Å; W80-L185 VanDerWaalsContact CB-O 3.26Å; W80-L185 WeakPolarHBondContact CB-O 3.39Å; W80-N186 HydrophobicContact CB-CB 4.32Å; W80-N186 VanDerWaalsContact CB-OD1 3.27Å; W80-N186 WeakPolarHBondContact CB-OD1 3.4Å
81	C	98.3	Very high	96.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	152.8	172.9	72.7	0	0	0	0	110.5	F33 A34 A42 W68 R184 L185	F33-C81 CarbonylContact O-C 3.6Å; F33-C81 WeakPolarHBondContact O-CA 3.24Å; F33-C81 WeakPolarHBondContact O-CB 3.46Å; A34-C81 HydrophobicContact CB-CB 3.8Å; A42-C81 HydrophobicContact CB-CB 4.46Å; W68-C81 HydrophobicContact CH2-CB 4.09Å; W68-C81 HydrophobicContact CZ2-CB 4.24Å; W68-C81 HydrophobicContact CZ3-CB 4.36Å; C81-R184 CarbonylContact O-C 3.5Å; C81-R184 VanDerWaalsContact O-CA 3.28Å; C81-R184 WeakPolarHBondContact O-CA 3.34Å; C81-L185 PolarHBondContact N-O 3.18Å; C81-L185 PolarHBondContact O-N 3.15Å
82	V	98	Very high	96.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	133.4	172.2	169.5	0	0	0	0	108.2	L32 F33 W80 I143 L146 W151 I183 R184	L32-V82 HydrophobicContact CB-CG1 4.31Å; L32-V82 HydrophobicContact CD1-CG1 4.22Å; L32-V82 PolarHBondContact N-O 2.83Å; F33-V82 HydrophobicContact CB-CB 4.37Å; F33-V82 PolarHBondContact N-O 3.06Å; F33-V82 PolarHBondContact O-N 3.03Å; W80-V82 HydrophobicContact CE3-CG2 3.93Å; W80-V82 HydrophobicContact CZ3-CG2 3.55Å; V82-I143 HydrophobicContact CB-CD1 4.25Å; V82-I143 HydrophobicContact CG1-CD1 4.37Å; V82-I143 HydrophobicContact CG2-CD1 4.48Å; V82-I143 HydrophobicContact CG2-CG1 4.49Å; V82-L146 HydrophobicContact CG1-CD1 4.2Å; V82-W151 HydrophobicContact CG1-CH2 3.83Å; V82-W151 HydrophobicContact CG1-CZ3 4.27Å; V82-W151 HydrophobicContact CG2-CH2 4.41Å; V82-W151 HydrophobicContact CG2-CZ3 4.49Å; V82-I183 CarbonylContact C-O 3.51Å; V82-I183 WeakPolarHBondContact CA-O 3.07Å; V82-R184 HydrophobicContact CG2-CB 4.02Å; V82-R184 HydrophobicContact CG2-CG 4.12Å
83	L	96.7	Very high	96.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	143.3	177	68.6	111.9	0	0	0	111.1	A23 K30 I31 L85 H182 I183 L196	A23-L83 HydrophobicContact CB-CD1 3.71Å; K30-L83 CarbonylContact O-C 3.53Å; K30-L83 VanDerWaalsContact O-CA 3.29Å; K30-L83 WeakPolarHBondContact O-CA 3.37Å; I31-L83 HydrophobicContact CD1-CB 3.66Å; I31-L83 HydrophobicContact CD1-CD2 4.46Å; L83-L85 HydrophobicContact CD1-CD2 3.93Å; L83-H182 WeakPolarHBondContact O-CA 3.02Å; L83-I183 HydrophobicContact CD1-CB 4.28Å; L83-I183 HydrophobicContact CD2-CB 4.22Å; L83-I183 HydrophobicContact CD2-CG2 4.3Å; L83-I183 HydrophobicContact CG-CB 4.01Å; L83-I183 PolarHBondContact N-O 2.92Å; L83-I183 PolarHBondContact O-N 3.08Å; L83-L196 HydrophobicContact CD2-CD2 3.72Å
84	R	96.6	Very high	96.7	Very high	80 Å²	80	39.1 Å²	39.1	30%	0.302	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	130	168.4	-175.2	176.7	70.1	177.6	2.9	108.6	G29 K30 L32 H182	G29-R84 WeakPolarHBondContact CA-O 3.43Å; K30-R84 PolarHBondContact N-O 3.28Å; K30-R84 PolarHBondContact O-N 3.13Å; L32-R84 HydrophobicContact CD1-CB 4.1Å; L32-R84 HydrophobicContact CD2-CB 4.18Å; L32-R84 HydrophobicContact CG-CB 4.16Å; R84-H182 WeakPolarHBondContact CG-NE2 3.16Å
85	L	97.6	Very high	96.8	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.016	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	137.9	173.4	-60.3	178.6	0	0	0	110	M22 A23 L83 I87 I91 W180 T181 I183 V198	M22-L85 HydrophobicContact CB-CD2 4.39Å; M22-L85 HydrophobicContact CE-CD1 4.42Å; A23-L85 HydrophobicContact CB-CD2 3.83Å; L83-L85 HydrophobicContact CD1-CD2 3.93Å; L85-I87 VanDerWaalsContact C-N 3.32Å; L85-I87 WeakPolarHBondContact CB-O 3.43Å; L85-I91 HydrophobicContact CD1-CD1 4.38Å; L85-W180 HydrophobicContact CD1-CB 4.48Å; L85-T181 WeakPolarHBondContact CB-O 3.24Å; L85-T181 PolarHBondContact N-O 3.06Å; L85-I183 HydrophobicContact CD1-CD1 4.39Å; L85-I183 HydrophobicContact CD1-CG1 4.45Å; L85-I183 HydrophobicContact CD2-CD1 3.81Å; L85-I183 HydrophobicContact CD2-CG1 4.11Å; L85-I183 HydrophobicContact CG-CD1 4.44Å; L85-I183 HydrophobicContact CG-CG1 4.34Å; L85-V198 HydrophobicContact CD2-CB 4.19Å; L85-V198 HydrophobicContact CD2-CG1 3.93Å; L85-V198 HydrophobicContact CD2-CG2 4.24Å
86	G	95.9	Very high	97	Very high	28 Å²	28	23.8 Å²	23.8	29%	0.289	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	-31.4	171.6	0	0	0	0	0	111.8	M22 V27 G28	M22-G86 PolarHBondContact O-N 3.34Å; V27-G86 CarbonylContact O-C 3.58Å; V27-G86 VanDerWaalsContact O-CA 3.26Å; V27-G86 WeakPolarHBondContact O-CA 3.2Å; G28-G86 VanDerWaalsContact C-CA 3.43Å
87	I	95.8	Very high	97	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.01	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	118.7	170.8	-65.3	169.2	0	0	0	108.9	T20 M22 V27 L85 G202 I220 A221 V243	T20-I87 HydrophobicContact CG2-CD1 3.58Å; M22-I87 HydrophobicContact CB-CB 4.21Å; M22-I87 WeakPolarHBondContact CB-O 3.28Å; M22-I87 HydrophobicContact CG-CB 4.12Å; M22-I87 HydrophobicContact CG-CG2 4.17Å; M22-I87 PolarHBondContact O-N 3.16Å; M22-I87 HydrophobicContact SD-CG2 4.3Å; V27-I87 HydrophobicContact CB-CD1 3.86Å; V27-I87 HydrophobicContact CB-CG1 4.02Å; V27-I87 HydrophobicContact CG1-CD1 3.93Å; V27-I87 HydrophobicContact CG2-CD1 4.04Å; V27-I87 HydrophobicContact CG2-CG1 4.05Å; L85-I87 VanDerWaalsContact C-N 3.32Å; L85-I87 WeakPolarHBondContact CB-O 3.43Å; I87-G202 VanDerWaalsContact CG2-CA 3.49Å; I87-I220 HydrophobicContact CD1-CG2 4.38Å; I87-A221 HydrophobicContact CD1-CB 4.41Å; I87-A221 HydrophobicContact CG1-CB 3.99Å; I87-A221 HydrophobicContact CG2-CB 4.38Å; I87-V243 HydrophobicContact CD1-CG2 3.79Å; I87-V243 HydrophobicContact CG1-CG2 3.99Å
88	Q	95.3	Very high	97.1	Very high	32 Å²	32	15.2 Å²	15.2	15%	0.15	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	136	176.4	-58.5	176.3	7.5	0	0	109	E118 R179 W180 T181 Q203	Q88-E118 PolarHBondContact NE2-OE1 2.86Å; Q88-R179 VanDerWaalsContact CB-NH2 3.28Å; Q88-W180 WeakPolarHBondContact CA-O 3.38Å; Q88-T181 HydrophobicContact CB-CG2 4.1Å; Q88-T181 HydrophobicContact CG-CG2 3.84Å; Q88-Q203 PolarHBondContact O-N 2.86Å
89	G	95.5	Very high	97	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.8	-167.3	-168.3	0	0	0	0	0	115.9	R179 W180 T201	G89-R179 WeakPolarHBondContact O-CA 3.37Å; G89-W180 PolarHBondContact N-O 3.27Å; G89-W180 VanDerWaalsContact N-O 3.09Å; G89-W180 PolarHBondContact O-N 3.07Å; G89-T201 CarbonylContact C-O 3.53Å; G89-T201 VanDerWaalsContact CA-O 3.31Å; G89-T201 WeakPolarHBondContact CA-O 3.44Å
90	V	96.1	Very high	96.9	Very high	3 Å²	3	16.2 Å²	16.2	2%	0.018	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	117.3	177.6	-177.1	0	0	0	0	108.8	R92 S176 G200 T201	V90-R92 VanDerWaalsContact CG1-CZ 3.48Å; V90-S176 VanDerWaalsContact CG1-O 3.32Å; V90-S176 WeakPolarHBondContact CG1-O 3.35Å; V90-G200 VanDerWaalsContact O-CA 3.22Å; V90-G200 WeakPolarHBondContact O-CA 3.36Å; V90-T201 PolarHBondContact N-O 2.86Å; V90-T201 PolarHBondContact O-N 2.86Å
91	I	96.8	Very high	96.7	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	130.6	176.5	-59.1	165.6	0	0	0	108.8	M22 L85 F94 L154 V174 W180 I183 V198	M22-I91 HydrophobicContact CE-CB 4.13Å; M22-I91 HydrophobicContact CE-CG1 3.37Å; L85-I91 HydrophobicContact CD1-CD1 4.38Å; I91-F94 HydrophobicContact CD1-CZ 4.08Å; I91-F94 HydrophobicContact CG2-CE1 4.15Å; I91-F94 HydrophobicContact CG2-CE2 3.95Å; I91-F94 HydrophobicContact CG2-CZ 3.72Å; I91-L154 HydrophobicContact CB-CD1 4.41Å; I91-L154 HydrophobicContact CD1-CD1 3.58Å; I91-V174 HydrophobicContact CG2-CB 4.33Å; I91-V174 HydrophobicContact CG2-CG2 4Å; I91-W180 HydrophobicContact CD1-CB 3.68Å; I91-W180 HydrophobicContact CD1-CG 3.82Å; I91-W180 HydrophobicContact CG1-CB 4.26Å; I91-W180 HydrophobicContact CG1-CG 4.39Å; I91-I183 HydrophobicContact CD1-CD1 3.65Å; I91-I183 HydrophobicContact CD1-CG1 4.32Å; I91-V198 HydrophobicContact CD1-CG1 4.02Å; I91-V198 HydrophobicContact CG1-CG1 3.86Å; I91-V198 HydrophobicContact CG2-CG1 4.11Å
92	R	95.8	Very high	96.3	Very high	72 Å²	72	20.6 Å²	20.6	27%	0.272	10%	0.104	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	-32.4	177.8	-62.2	-57.6	-175.3	-161.5	0.2	112.2	L19 V90 V174 S176 L199	L19-R92 HydrophobicContact CD1-CB 3.79Å; L19-R92 HydrophobicContact CD1-CG 4.29Å; L19-R92 HydrophobicContact CD2-CG 4.16Å; V90-R92 VanDerWaalsContact CG1-CZ 3.48Å; R92-V174 PolarHBondContact O-N 2.87Å; R92-S176 PolarHBondContact NH1-O 2.85Å; R92-L199 PolarHBondContact N-O 3.17Å
93	A	96.5	Very high	95.9	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	168.3	177.7	0	0	0	0	0	113.2	F16 F172 L173 L199	F16-A93 HydrophobicContact CD1-CB 4.18Å; F16-A93 HydrophobicContact CE1-CB 3.33Å; F16-A93 HydrophobicContact CZ-CB 4.15Å; A93-F172 CarbonylContact C-O 3.57Å; A93-F172 WeakPolarHBondContact CA-O 3.4Å; A93-F172 VanDerWaalsContact CB-O 3.31Å; A93-F172 WeakPolarHBondContact CB-O 3.37Å; A93-L173 HydrophobicContact CB-CD2 4.37Å; A93-L199 HydrophobicContact CB-CB 4.4Å; A93-L199 PolarHBondContact N-O 2.83Å; A93-L199 PolarHBondContact O-N 3.01Å
94	F	97.8	Very high	95.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	144.9	166.9	-62.2	-78.6	0	0	0	110.3	I91 I111 L154 V155 Y171 F172 V174 I183 L196 R197 V198	I91-F94 HydrophobicContact CD1-CZ 4.08Å; I91-F94 HydrophobicContact CG2-CE1 4.15Å; I91-F94 HydrophobicContact CG2-CE2 3.95Å; I91-F94 HydrophobicContact CG2-CZ 3.72Å; F94-I111 HydrophobicContact CB-CD1 3.92Å; F94-I111 HydrophobicContact CD1-CD1 3.53Å; F94-I111 HydrophobicContact CD2-CD1 3.72Å; F94-I111 HydrophobicContact CE1-CD1 3.88Å; F94-I111 HydrophobicContact CE1-CG2 3.96Å; F94-I111 HydrophobicContact CE2-CB 4.35Å; F94-I111 HydrophobicContact CE2-CD1 4.04Å; F94-I111 HydrophobicContact CE2-CG2 3.99Å; F94-I111 HydrophobicContact CG-CD1 3.43Å; F94-I111 VanDerWaalsContact CG-CD1 3.43Å; F94-I111 HydrophobicContact CZ-CB 4.41Å; F94-I111 HydrophobicContact CZ-CD1 4.12Å; F94-I111 HydrophobicContact CZ-CG2 3.58Å; F94-L154 HydrophobicContact CE2-CB 3.91Å; F94-L154 HydrophobicContact CE2-CD1 4.2Å; F94-L154 HydrophobicContact CZ-CB 4.41Å; F94-L154 HydrophobicContact CZ-CD1 4.02Å; F94-V155 HydrophobicContact CD2-CG2 3.56Å; F94-V155 HydrophobicContact CE2-CG2 3.89Å; F94-Y171 CarbonylContact O-C 3.58Å; F94-Y171 WeakPolarHBondContact O-CA 3.34Å; F94-F172 HydrophobicContact CB-CB 4.36Å; F94-F172 HydrophobicContact CB-CD2 4.42Å; F94-F172 PolarHBondContact N-O 3.14Å; F94-F172 PolarHBondContact O-N 3.45Å; F94-V174 HydrophobicContact CD2-CG2 3.64Å; F94-V174 HydrophobicContact CE2-CG2 3.42Å; F94-V174 VanDerWaalsContact CE2-CG2 3.42Å; F94-V174 HydrophobicContact CZ-CG2 4.5Å; F94-I183 HydrophobicContact CE1-CD1 3.55Å; F94-I183 HydrophobicContact CZ-CD1 3.89Å; F94-L196 HydrophobicContact CD1-CD1 4.21Å; F94-R197 WeakPolarHBondContact CA-O 3.31Å; F94-V198 HydrophobicContact CD1-CB 4.37Å; F94-V198 HydrophobicContact CD1-CG1 4.32Å; F94-V198 HydrophobicContact CD1-CG2 3.92Å; F94-V198 HydrophobicContact CE1-CB 4.2Å; F94-V198 HydrophobicContact CE1-CG1 3.77Å; F94-V198 HydrophobicContact CE1-CG2 3.75Å
95	D	97.5	Very high	95.9	Very high	13 Å²	13	24.9 Å²	24.9	7%	0.07	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	116.6	160.6	174.7	22.9	0	0	0	108	H169 Y171 R197	D95-H169 WeakPolarHBondContact OD1-CB 3.42Å; D95-H169 IonicContact OD1-CG 2.8Å; D95-H169 IonicContact OD1-ND1 2.75Å; D95-H169 PolarHBondContact OD1-ND1 3.35Å; D95-H169 IonicContact OD2-CE1 3.86Å; D95-H169 IonicContact OD2-CG 2.87Å; D95-H169 IonicContact OD2-ND1 2.91Å; D95-H169 PolarHBondContact OD2-ND1 2.79Å; D95-Y171 HydrophobicContact CB-CD1 3.8Å; D95-Y171 HydrophobicContact CB-CE1 3.69Å; D95-R197 HydrophobicContact CB-CB 3.93Å; D95-R197 HydrophobicContact CB-CG 4.05Å; D95-R197 PolarHBondContact N-O 3.44Å; D95-R197 PolarHBondContact O-N 3.28Å
96	V	98.3	Very high	95.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	101.4	177.7	-175.3	0	0	0	0	107	M109 I111 L160 N170 F172 I193 L196	V96-M109 HydrophobicContact CB-CE 4.44Å; V96-M109 HydrophobicContact CG1-CE 4.26Å; V96-M109 HydrophobicContact CG2-CE 3.45Å; V96-M109 VanDerWaalsContact CG2-CE 3.45Å; V96-M109 HydrophobicContact CG2-SD 4.5Å; V96-I111 HydrophobicContact CG2-CD1 4.46Å; V96-L160 HydrophobicContact CB-CD2 4.13Å; V96-L160 HydrophobicContact CG1-CD1 4.1Å; V96-L160 HydrophobicContact CG1-CD2 3.83Å; V96-N170 HydrophobicContact CB-CB 4.28Å; V96-N170 PolarHBondContact N-O 3.4Å; V96-N170 WeakPolarHBondContact O-CB 3.43Å; V96-N170 PolarHBondContact O-N 3.36Å; V96-F172 HydrophobicContact CB-CE2 4.1Å; V96-F172 HydrophobicContact CG2-CD2 3.92Å; V96-F172 HydrophobicContact CG2-CE2 3.7Å; V96-I193 HydrophobicContact CG1-CD1 3.83Å; V96-I193 HydrophobicContact CG1-CG1 4.25Å; V96-I193 HydrophobicContact CG1-CG2 3.89Å; V96-L196 HydrophobicContact CG2-CD1 3.92Å
97	D	98	Very high	96	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.021	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	121.3	-175.9	-175.6	4.5	0	0	0	109.7	P51 S99 H169 A194 R195	P51-D97 VanDerWaalsContact CG-OD2 3.28Å; P51-D97 WeakPolarHBondContact CG-OD2 3.44Å; D97-S99 WeakPolarHBondContact OD1-CB 3.26Å; D97-S99 PolarHBondContact OD1-N 3.01Å; D97-S99 PolarHBondContact OD1-OG 2.91Å; D97-S99 PolarHBondContact OD2-OG 3.3Å; D97-H169 IonicContact OD2-CE1 3.36Å; D97-H169 IonicContact OD2-NE2 3.72Å; D97-A194 WeakPolarHBondContact O-CA 3.28Å; D97-A194 VanDerWaalsContact O-CB 3.28Å; D97-A194 WeakPolarHBondContact O-CB 3.48Å; D97-A194 PolarHBondContact O-N 2.63Å; D97-R195 HydrophobicContact CB-CB 3.99Å; D97-R195 PolarHBondContact N-O 3.31Å; D97-R195 PolarHBondContact O-N 3.5Å
98	V	97.8	Very high	96.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.165	C	C	.	.			trans	-104.9	19.1	174.6	-61.3	0	0	0	0	112.8	Y100 F101 L160 K161 G168 I193	V98-Y100 PolarHBondContact O-N 2.82Å; V98-F101 PolarHBondContact O-N 2.84Å; V98-F101 VanDerWaalsContact O-N 3.13Å; V98-L160 HydrophobicContact CG1-CD1 4.03Å; V98-K161 WeakPolarHBondContact CG2-O 3.22Å; V98-G168 WeakPolarHBondContact CG2-O 3.38Å; V98-G168 PolarHBondContact N-O 3.43Å; V98-I193 HydrophobicContact CG1-CG1 4.5Å
99	S	95.9	Very high	96.2	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.014	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	137.3	178.2	-69.3	0	0	0	0	112.4	D97 F101 P165 A194	D97-S99 WeakPolarHBondContact OD1-CB 3.26Å; D97-S99 PolarHBondContact OD1-N 3.01Å; D97-S99 PolarHBondContact OD1-OG 2.91Å; D97-S99 PolarHBondContact OD2-OG 3.3Å; S99-F101 WeakPolarHBondContact O-CD2 3.48Å; S99-F101 PolarHBondContact O-N 3.49Å; S99-F101 VanDerWaalsContact O-N 3.16Å; S99-P165 WeakPolarHBondContact OG-CA 3.3Å; S99-A194 WeakPolarHBondContact O-CB 3.47Å
100	Y	95.9	Very high	96.4	Very high	73 Å²	73	29.1 Å²	29.1	29%	0.286	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	-5.9	-179	-47.1	-74.1	0	0	0	116.3	P51 F53 M65 V98 T102 P165	P51-Y100 HydrophobicContact CB-CD2 4.02Å; P51-Y100 HydrophobicContact CB-CE2 4.03Å; P51-Y100 HydrophobicContact CG-CD2 4.26Å; P51-Y100 HydrophobicContact CG-CE2 4.06Å; P51-Y100 VanDerWaalsContact O-CE2 3.25Å; P51-Y100 WeakPolarHBondContact O-CE2 3.4Å; F53-Y100 HydrophobicContact CB-CD1 3.31Å; F53-Y100 HydrophobicContact CB-CD2 4.42Å; F53-Y100 HydrophobicContact CB-CE1 3.58Å; F53-Y100 HydrophobicContact CB-CG 3.74Å; F53-Y100 HydrophobicContact CG-CD1 4.1Å; M65-Y100 WeakPolarHBondContact CE-O 3.27Å; V98-Y100 PolarHBondContact O-N 2.82Å; Y100-T102 PolarHBondContact O-N 3.17Å; Y100-P165 HydrophobicContact CD1-CG 3.8Å; Y100-P165 HydrophobicContact CD2-CG 4.39Å; Y100-P165 HydrophobicContact CE1-CB 4.47Å; Y100-P165 HydrophobicContact CE1-CG 3.24Å; Y100-P165 HydrophobicContact CE2-CG 3.85Å; Y100-P165 HydrophobicContact CG-CG 4.37Å; Y100-P165 WeakPolarHBondContact OH-CG 3.44Å
101	F	95.4	Very high	96.5	Very high	3 Å²	3	29 Å²	29	1%	0.013	16%	0.157	C	C	.	.			trans	-88.8	76.7	170.9	-68.6	-81.2	0	0	0	111	M65 E69 V98 S99 G103 D104 A194	M65-F101 HydrophobicContact CB-CE1 4.07Å; M65-F101 HydrophobicContact CB-CZ 3.95Å; M65-F101 HydrophobicContact CE-CD1 3.54Å; M65-F101 HydrophobicContact CE-CD2 4.49Å; M65-F101 HydrophobicContact CE-CE1 3.44Å; M65-F101 VanDerWaalsContact CE-CE1 3.44Å; M65-F101 HydrophobicContact CE-CE2 4.4Å; M65-F101 HydrophobicContact CE-CG 4.1Å; M65-F101 HydrophobicContact CE-CZ 3.93Å; M65-F101 HydrophobicContact CG-CE1 4.13Å; M65-F101 HydrophobicContact CG-CZ 4.49Å; E69-F101 HydrophobicContact CB-CE1 3.78Å; E69-F101 HydrophobicContact CB-CZ 4.26Å; E69-F101 HydrophobicContact CG-CE1 3.93Å; V98-F101 PolarHBondContact O-N 2.84Å; V98-F101 VanDerWaalsContact O-N 3.13Å; S99-F101 WeakPolarHBondContact O-CD2 3.48Å; S99-F101 PolarHBondContact O-N 3.49Å; S99-F101 VanDerWaalsContact O-N 3.16Å; F101-G103 PolarHBondContact O-N 3.34Å; F101-D104 WeakPolarHBondContact CA-OD1 3.26Å; F101-D104 WeakPolarHBondContact CB-OD1 3.08Å; F101-A194 HydrophobicContact CD2-CB 4.11Å; F101-A194 HydrophobicContact CE2-CB 3.88Å
102	T	90.1	Very high	96.6	Very high	118 Å²	118	29.1 Å²	29.1	72%	0.724	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	84.2	-176.1	56	0	0	0	0	111.8	Y100 D104	Y100-T102 PolarHBondContact O-N 3.17Å; T102-D104 PolarHBondContact N-OD1 3.42Å; T102-D104 VanDerWaalsContact N-OD1 3.14Å
103	G	89.9	Confident	96.7	Very high	70 Å²	70	25.7 Å²	25.7	72%	0.722	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	102.6	-6.6	177.5	0	0	0	0	0	114.7	F101	F101-G103 PolarHBondContact O-N 3.34Å
104	D	94.3	Very high	96.8	Very high	52 Å²	52	26.1 Å²	26.1	28%	0.278	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.9	8	176.4	51.7	1.9	0	0	0	112.6	F101 T102 G191 G192	F101-D104 WeakPolarHBondContact CA-OD1 3.26Å; F101-D104 WeakPolarHBondContact CB-OD1 3.08Å; T102-D104 PolarHBondContact N-OD1 3.42Å; T102-D104 VanDerWaalsContact N-OD1 3.14Å; D104-G191 CarbonylContact O-C 3.45Å; D104-G191 WeakPolarHBondContact O-CA 3.4Å; D104-G192 PolarHBondContact O-N 2.99Å
105	Y	97.1	Very high	96.6	Very high	48 Å²	48	30.5 Å²	30.5	19%	0.188	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-63.8	153.7	170.8	73	-75.5	0	0	0	111.7	P107 L160 P162 G192	Y105-P107 VanDerWaalsContact O-CD 3.29Å; Y105-P107 WeakPolarHBondContact O-CD 3.48Å; Y105-L160 HydrophobicContact CD2-CB 4.29Å; Y105-L160 HydrophobicContact CE2-CB 4.36Å; Y105-P162 HydrophobicContact CD1-CB 4.14Å; Y105-P162 HydrophobicContact CE1-CB 3.64Å; Y105-P162 HydrophobicContact CE1-CG 4.29Å; Y105-P162 HydrophobicContact CE2-CB 4.29Å; Y105-G192 WeakPolarHBondContact CA-O 3.46Å
106	A	97.9	Very high	96.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.178	C	C	.	.			trans	-61.5	120.7	171.7	0	0	0	0	0	110.9	R108 L160 I187 G192 I193	A106-R108 VanDerWaalsContact C-N 3.34Å; A106-R108 PolarHBondContact O-N 2.81Å; A106-L160 HydrophobicContact CB-CD1 4.14Å; A106-L160 VanDerWaalsContact O-CD1 3.3Å; A106-L160 WeakPolarHBondContact O-CD1 3.43Å; A106-I187 HydrophobicContact CB-CB 3.71Å; A106-I187 HydrophobicContact CB-CG2 3.69Å; A106-G192 PolarHBondContact N-O 3.2Å; A106-I193 HydrophobicContact CB-CD1 4.35Å; A106-I193 HydrophobicContact CB-CG1 4.15Å
107	P	97.5	Very high	95.7	Very high	45 Å²	45	36.9 Å²	36.9	29%	0.292	20%	0.202	S	C	.	.	S	Bend	trans	-65.6	-35.7	-176.7	-24.3	34	0	0	0	113.7	Y105 L160 F188 D190	Y105-P107 VanDerWaalsContact O-CD 3.29Å; Y105-P107 WeakPolarHBondContact O-CD 3.48Å; P107-L160 PolarHBondContact O-N 2.88Å; P107-F188 WeakPolarHBondContact CD-O 3.05Å; P107-D190 WeakPolarHBondContact CD-O 3.4Å
108	R	98.5	Very high	94.6	Very high	108 Å²	108	41.9 Å²	41.9	41%	0.408	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	155.4	-179.5	-71.5	172.1	-65.9	-84.6	-4.7	109.6	A106 M157 T158 E159 I187 F188	A106-R108 VanDerWaalsContact C-N 3.34Å; A106-R108 PolarHBondContact O-N 2.81Å; R108-M157 HydrophobicContact CB-CG 4.38Å; R108-T158 CarbonylContact C-O 3.57Å; R108-T158 WeakPolarHBondContact CA-O 3.5Å; R108-T158 WeakPolarHBondContact CB-O 3.31Å; R108-E159 HydrophobicContact CG-CB 4.32Å; R108-I187 WeakPolarHBondContact O-CA 3.38Å; R108-F188 HydrophobicContact CB-CB 4.1Å; R108-F188 HydrophobicContact CB-CD2 4.34Å; R108-F188 PolarHBondContact O-N 2.81Å
109	M	98.6	Very high	93.5	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	162.1	177	64.7	85.4	70.9	0	0	112.1	V96 I111 V155 M157 T158 L160 F172 L185 N186	V96-M109 HydrophobicContact CB-CE 4.44Å; V96-M109 HydrophobicContact CG1-CE 4.26Å; V96-M109 HydrophobicContact CG2-CE 3.45Å; V96-M109 VanDerWaalsContact CG2-CE 3.45Å; V96-M109 HydrophobicContact CG2-SD 4.5Å; M109-I111 HydrophobicContact CE-CD1 3.5Å; M109-I111 HydrophobicContact CE-CG1 3.32Å; M109-I111 HydrophobicContact SD-CG1 4.24Å; M109-V155 HydrophobicContact SD-CG1 4.21Å; M109-M157 CarbonylContact O-C 3.57Å; M109-M157 VanDerWaalsContact O-CA 3.31Å; M109-M157 WeakPolarHBondContact O-CA 3.2Å; M109-T158 PolarHBondContact N-O 3.49Å; M109-T158 PolarHBondContact O-N 3.12Å; M109-L160 HydrophobicContact CB-CD1 4.08Å; M109-L160 HydrophobicContact CB-CG 4.4Å; M109-L160 HydrophobicContact CG-CD1 3.76Å; M109-L160 HydrophobicContact CG-CD2 3.75Å; M109-L160 HydrophobicContact CG-CG 3.65Å; M109-F172 HydrophobicContact SD-CE2 4.15Å; M109-F172 HydrophobicContact SD-CZ 4.29Å; M109-L185 HydrophobicContact CB-CD1 4.41Å; M109-L185 HydrophobicContact CE-CD1 3.41Å; M109-L185 VanDerWaalsContact CE-CD1 3.41Å; M109-N186 CarbonylContact C-O 3.52Å; M109-N186 WeakPolarHBondContact CA-O 3.38Å; M109-N186 VanDerWaalsContact CB-O 3.26Å; M109-N186 WeakPolarHBondContact CB-O 3.3Å
110	S	98.8	Very high	92.8	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.007	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	155	166	69.1	0	0	0	0	109.9	V155 N186	S110-V155 WeakPolarHBondContact CB-O 3.4Å; S110-N186 PolarHBondContact N-O 2.89Å; S110-N186 PolarHBondContact O-N 2.97Å; S110-N186 WeakPolarHBondContact OG-CB 3.32Å; S110-N186 PolarHBondContact OG-ND2 2.73Å; S110-N186 VanDerWaalsContact OG-ND2 3.11Å
111	I	98.8	Very high	92.2	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	124.3	177.3	-56.8	-177.1	0	0	0	109.6	F94 V96 M109 L154 V155 I183 R184 L185 L196	F94-I111 HydrophobicContact CB-CD1 3.92Å; F94-I111 HydrophobicContact CD1-CD1 3.53Å; F94-I111 HydrophobicContact CD2-CD1 3.72Å; F94-I111 HydrophobicContact CE1-CD1 3.88Å; F94-I111 HydrophobicContact CE1-CG2 3.96Å; F94-I111 HydrophobicContact CE2-CB 4.35Å; F94-I111 HydrophobicContact CE2-CD1 4.04Å; F94-I111 HydrophobicContact CE2-CG2 3.99Å; F94-I111 HydrophobicContact CG-CD1 3.43Å; F94-I111 VanDerWaalsContact CG-CD1 3.43Å; F94-I111 HydrophobicContact CZ-CB 4.41Å; F94-I111 HydrophobicContact CZ-CD1 4.12Å; F94-I111 HydrophobicContact CZ-CG2 3.58Å; V96-I111 HydrophobicContact CG2-CD1 4.46Å; M109-I111 HydrophobicContact CE-CD1 3.5Å; M109-I111 HydrophobicContact CE-CG1 3.32Å; M109-I111 HydrophobicContact SD-CG1 4.24Å; I111-L154 PolarHBondContact O-N 3.41Å; I111-V155 HydrophobicContact CB-CB 3.99Å; I111-V155 HydrophobicContact CB-CG2 4.11Å; I111-V155 HydrophobicContact CD1-CG2 4.24Å; I111-V155 HydrophobicContact CG1-CB 4.27Å; I111-V155 HydrophobicContact CG1-CG2 4.35Å; I111-V155 PolarHBondContact N-O 3.08Å; I111-V155 PolarHBondContact O-N 3.27Å; I111-I183 HydrophobicContact CG2-CG2 3.37Å; I111-R184 WeakPolarHBondContact CA-O 3.39Å; I111-L185 HydrophobicContact CG1-CD1 4.11Å; I111-L196 HydrophobicContact CD1-CD1 3.96Å
112	Q	98.6	Very high	91.8	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.009	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	155.7	171.8	-59.9	166.1	-91.7	0	0	110.3	S148 D149 W151 S152 Y153 I183 R184 N186	Q112-S148 PolarHBondContact NE2-O 2.89Å; Q112-D149 PolarHBondContact NE2-O 2.78Å; Q112-W151 HydrophobicContact CB-CB 3.81Å; Q112-W151 PolarHBondContact NE2-O 3.36Å; Q112-S152 CarbonylContact C-O 3.45Å; Q112-S152 WeakPolarHBondContact CA-O 3.14Å; Q112-Y153 HydrophobicContact CG-CD1 3.41Å; Q112-Y153 VanDerWaalsContact CG-CD1 3.41Å; Q112-Y153 HydrophobicContact CG-CD2 4.25Å; Q112-Y153 HydrophobicContact CG-CE1 3.31Å; Q112-Y153 HydrophobicContact CG-CE2 4.18Å; Q112-Y153 HydrophobicContact CG-CG 3.89Å; Q112-I183 CarbonylContact O-C 3.57Å; Q112-I183 VanDerWaalsContact O-CA 3.31Å; Q112-I183 WeakPolarHBondContact O-CA 3.49Å; Q112-I183 WeakPolarHBondContact O-CG2 3.17Å; Q112-R184 HydrophobicContact CB-CB 4.27Å; Q112-R184 PolarHBondContact N-O 3.09Å; Q112-R184 PolarHBondContact O-N 3.3Å; Q112-N186 PolarHBondContact OE1-ND2 3.09Å
113	A	98.2	Very high	91.6	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.008	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	153.6	177.9	0	0	0	0	0	112.5	S152 L154 W180 H182 I183	A113-S152 PolarHBondContact N-O 2.98Å; A113-S152 PolarHBondContact O-N 3.37Å; A113-S152 VanDerWaalsContact O-N 3.17Å; A113-L154 HydrophobicContact CB-CD1 3.47Å; A113-L154 VanDerWaalsContact CB-CD1 3.47Å; A113-L154 HydrophobicContact CB-CG 3.82Å; A113-W180 HydrophobicContact CB-CB 4.37Å; A113-W180 HydrophobicContact CB-CD2 3.64Å; A113-W180 HydrophobicContact CB-CE3 3.46Å; A113-W180 VanDerWaalsContact CB-CE3 3.46Å; A113-W180 HydrophobicContact CB-CG 4.05Å; A113-W180 HydrophobicContact CB-CZ3 3.99Å; A113-W180 VanDerWaalsContact O-CZ3 3.24Å; A113-W180 WeakPolarHBondContact O-CZ3 3.4Å; A113-H182 VanDerWaalsContact CA-O 3.28Å; A113-H182 WeakPolarHBondContact CA-O 3.34Å; A113-I183 HydrophobicContact CB-CG1 4.44Å
114	A	96.9	Very high	91.4	Very high	9 Å²	9	59.2 Å²	59.2	7%	0.074	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	154	173.1	0	0	0	0	0	112.5	L116 W151 T181 H182	A114-L116 HydrophobicContact CB-CD2 3.84Å; A114-L116 HydrophobicContact CB-CG 3.98Å; A114-W151 HydrophobicContact CB-CD2 3.41Å; A114-W151 VanDerWaalsContact CB-CD2 3.41Å; A114-W151 HydrophobicContact CB-CE3 3.93Å; A114-W151 HydrophobicContact CB-CG 3.69Å; A114-W151 HydrophobicContact CB-CH2 4.42Å; A114-W151 HydrophobicContact CB-CZ2 3.96Å; A114-W151 HydrophobicContact CB-CZ3 4.4Å; A114-T181 PolarHBondContact O-N 3.01Å; A114-T181 PolarHBondContact O-OG1 2.86Å; A114-H182 PolarHBondContact N-O 3.11Å; A114-H182 PolarHBondContact O-N 3.05Å; A114-H182 VanDerWaalsContact O-N 3.11Å
115	N	94.5	Very high	91	Very high	91 Å²	91	59.4 Å²	59.4	49%	0.487	29%	0.287	S	S	.	.			trans	-104.4	100.9	167.3	-169.5	20.8	0	0	0	107.3	R179 T181	N115-R179 WeakPolarHBondContact CB-O 3.3Å; N115-R179 PolarHBondContact OD1-NH1 2.83Å; N115-T181 WeakPolarHBondContact CA-OG1 3.43Å; N115-T181 WeakPolarHBondContact OD1-CG2 3.26Å
116	L	92.1	Very high	90.5	Very high	38 Å²	38	64.8 Å²	64.8	20%	0.199	31%	0.314	C	S	.	.			trans	-106.9	141.7	-177.2	-55.9	-178.2	0	0	0	109.3	A114 L121 L146 W151 T181 H182	A114-L116 HydrophobicContact CB-CD2 3.84Å; A114-L116 HydrophobicContact CB-CG 3.98Å; L116-L121 HydrophobicContact CB-CD2 3.85Å; L116-L121 HydrophobicContact CD1-CD2 3.59Å; L116-L121 HydrophobicContact CG-CD2 4.38Å; L116-L146 HydrophobicContact CD1-CD2 3.88Å; L116-W151 HydrophobicContact CD1-CH2 4.31Å; L116-W151 HydrophobicContact CD1-CZ2 3.78Å; L116-T181 PolarHBondContact N-OG1 3.29Å; L116-H182 HydrophobicContact CD1-CB 4.28Å
117	E	84.1	Confident	89.9	Confident	110 Å²	110	65.6 Å²	65.6	51%	0.514	32%	0.318	S	S	.	.			trans	-81.2	123.2	172.2	-65.3	174.9	-144.9	0	0	108.7	E119 K120 L121	E117-E119 PolarHBondContact O-N 2.9Å; E117-K120 HydrophobicContact CB-CB 4.34Å; E117-K120 HydrophobicContact CB-CD 4.19Å; E117-K120 HydrophobicContact CB-CG 4.29Å; E117-K120 PolarHBondContact O-N 2.9Å; E117-K120 IonicContact OE1-NZ 3.01Å; E117-K120 PolarHBondContact OE1-NZ 3.11Å; E117-K120 VanDerWaalsContact OE1-NZ 3.13Å; E117-K120 VanDerWaalsContact OE2-CD 3.29Å; E117-K120 WeakPolarHBondContact OE2-CD 3.24Å; E117-K120 WeakPolarHBondContact OE2-CE 3.5Å; E117-K120 IonicContact OE2-NZ 2.7Å; E117-K120 PolarHBondContact OE2-NZ 2.9Å; E117-L121 PolarHBondContact O-N 2.88Å
118	E	76.4	Confident	89	Confident	108 Å²	108	65.9 Å²	65.9	51%	0.505	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-58.5	-35.7	-174.1	-73.4	-176	-176	0	0	113	Q88 K120 L121	Q88-E118 PolarHBondContact NE2-OE1 2.86Å; E118-K120 PolarHBondContact O-N 2.84Å; E118-L121 HydrophobicContact CB-CD1 4.49Å; E118-L121 HydrophobicContact CG-CD1 4.41Å; E118-L121 PolarHBondContact O-N 2.88Å
119	E	74.6	Confident	88	Confident	187 Å²	187	66.9 Å²	66.9	87%	0.874	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-67.4	-17.2	179.1	-65.3	148.5	-167.5	0	0	113.4	E117	E117-E119 PolarHBondContact O-N 2.9Å
120	K	79.8	Confident	87.2	Confident	148 Å²	148	69.5 Å²	69.5	64%	0.643	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-107.6	6.9	-178.8	-63.3	-179.8	-179.2	158.2	0	112.5	E117 E118	E117-K120 HydrophobicContact CB-CB 4.34Å; E117-K120 HydrophobicContact CB-CD 4.19Å; E117-K120 HydrophobicContact CB-CG 4.29Å; E117-K120 PolarHBondContact O-N 2.9Å; E117-K120 IonicContact OE1-NZ 3.01Å; E117-K120 PolarHBondContact OE1-NZ 3.11Å; E117-K120 VanDerWaalsContact OE1-NZ 3.13Å; E117-K120 VanDerWaalsContact OE2-CD 3.29Å; E117-K120 WeakPolarHBondContact OE2-CD 3.24Å; E117-K120 WeakPolarHBondContact OE2-CE 3.5Å; E117-K120 IonicContact OE2-NZ 2.7Å; E117-K120 PolarHBondContact OE2-NZ 2.9Å; E118-K120 PolarHBondContact O-N 2.84Å
121	L	84.1	Confident	86.9	Confident	45 Å²	45	71.8 Å²	71.8	24%	0.236	36%	0.364	C	S	.	.			trans	-71.7	138	177.5	-69	174.2	0	0	0	110.2	L116 E117 E118 L146	L116-L121 HydrophobicContact CB-CD2 3.85Å; L116-L121 HydrophobicContact CD1-CD2 3.59Å; L116-L121 HydrophobicContact CG-CD2 4.38Å; E117-L121 PolarHBondContact O-N 2.88Å; E118-L121 HydrophobicContact CB-CD1 4.49Å; E118-L121 HydrophobicContact CG-CD1 4.41Å; E118-L121 PolarHBondContact O-N 2.88Å; L121-L146 HydrophobicContact CD2-CD2 3.89Å
122	P	86.3	Confident	86.7	Confident	24 Å²	24	72.8 Å²	72.8	16%	0.156	38%	0.375	C	S	.	.			trans	-63.4	157.4	171.1	30	-35.5	0	0	0	110.3	I124 E145 L146	P122-I124 HydrophobicContact CG-CD1 4.35Å; P122-I124 HydrophobicContact CG-CG1 4.07Å; P122-I124 PolarHBondContact O-N 3.03Å; P122-E145 HydrophobicContact CB-CB 3.92Å; P122-E145 HydrophobicContact CB-CG 4.49Å; P122-E145 WeakPolarHBondContact CB-OE2 3.29Å; P122-E145 HydrophobicContact CG-CB 3.98Å; P122-L146 HydrophobicContact CG-CD2 3.64Å; P122-L146 HydrophobicContact CG-CG 4.11Å
123	E	86.6	Confident	86.4	Confident	190 Å²	190	74.1 Å²	74.1	89%	0.888	39%	0.386	S	S	*	.			trans	-73.4	93.1	173.1	-166.4	172.6	-174	0	0	109
124	I	86.4	Confident	86.2	Confident	36 Å²	36	76.8 Å²	76.8	19%	0.185	41%	0.408	C	S	.	.			trans	-84.7	124	177.3	-58.7	167	0	0	0	107.9	L32 P122 E126 I143 L146	L32-I124 HydrophobicContact CB-CD1 4.33Å; L32-I124 HydrophobicContact CD1-CD1 4.03Å; P122-I124 HydrophobicContact CG-CD1 4.35Å; P122-I124 HydrophobicContact CG-CG1 4.07Å; P122-I124 PolarHBondContact O-N 3.03Å; I124-E126 PolarHBondContact O-N 2.99Å; I124-I143 HydrophobicContact CD1-CD1 3.86Å; I124-L146 HydrophobicContact CD1-CD1 4Å; I124-L146 HydrophobicContact CD1-CG 4.41Å
125	P	86	Confident	86.1	Confident	56 Å²	56	76.9 Å²	76.9	36%	0.364	41%	0.409	S	S	.	.			trans	-52.8	140.3	178.4	-27.3	34.5	0	0	0	112.4	R127 E139	P125-R127 PolarHBondContact O-N 2.97Å; P125-R127 VanDerWaalsContact O-N 3.08Å; P125-E139 HydrophobicContact CB-CG 4.34Å; P125-E139 HydrophobicContact CG-CG 4.18Å
126	E	85.9	Confident	86.1	Confident	161 Å²	161	75.1 Å²	75.1	75%	0.752	40%	0.402	S	S	*	.			trans	-66.3	114.3	173.3	-70.4	-141.5	123.4	0	0	110.2	K30 I124	K30-E126 IonicContact NZ-OE1 3.98Å; K30-E126 PolarHBondContact NZ-OE1 2.85Å; I124-E126 PolarHBondContact O-N 2.99Å
127	R	85.6	Confident	86.3	Confident	18 Å²	18	77.4 Å²	77.4	7%	0.068	42%	0.419	C	S	.	.			trans	-67.2	-39.2	-172.1	-172.7	168.8	175	-65.2	-26	114.4	D37 E43 P125	D37-R127 VanDerWaalsContact CB-NH2 3.32Å; D37-R127 IonicContact OD1-CZ 2.71Å; D37-R127 IonicContact OD1-NH2 2.64Å; D37-R127 IonicContact OD2-CZ 3.14Å; D37-R127 IonicContact OD2-NE 2.6Å; D37-R127 PolarHBondContact OD2-NE 3.13Å; D37-R127 IonicContact OD2-NH1 3.4Å; D37-R127 IonicContact OD2-NH2 3Å; D37-R127 PolarHBondContact OD2-NH2 3.26Å; E43-R127 IonicContact OE1-CZ 3.61Å; E43-R127 IonicContact OE1-NH1 3.89Å; E43-R127 PolarHBondContact OE1-NH1 3.37Å; E43-R127 IonicContact OE2-NH1 3.13Å; E43-R127 PolarHBondContact OE2-NH1 3.03Å; P125-R127 PolarHBondContact O-N 2.97Å; P125-R127 VanDerWaalsContact O-N 3.08Å
128	G	77.4	Confident	86.7	Confident	51 Å²	51	78 Å²	78	53%	0.526	42%	0.421	S	S	.	.			trans	60	172.1	-166.2	0	0	0	0	0	113.1	R130	G128-R130 PolarHBondContact O-N 3.16Å
129	I	78.7	Confident	87.5	Confident	129 Å²	129	73.4 Å²	73.4	66%	0.662	40%	0.4	S	S	*	.			trans	-84.9	113.7	172.6	-59.3	177.1	0	0	0	108.1	P41 E43	P41-I129 HydrophobicContact CB-CG2 3.97Å; P41-I129 HydrophobicContact CG-CG2 3.73Å; E43-I129 HydrophobicContact CB-CG1 4.47Å; E43-I129 HydrophobicContact CG-CG1 4.19Å
130	R	80.8	Confident	88.5	Confident	54 Å²	54	68.6 Å²	68.6	20%	0.204	38%	0.377	C	S	.	.			trans	-134.8	83.6	-173.9	54.1	179.2	-176.9	-174.1	2.1	112.8	G128 A133 E139	G128-R130 PolarHBondContact O-N 3.16Å; R130-A133 HydrophobicContact CB-CB 4.29Å; R130-A133 HydrophobicContact CG-CB 4.25Å; R130-E139 IonicContact CZ-OE1 2.88Å; R130-E139 IonicContact CZ-OE2 2.85Å; R130-E139 VanDerWaalsContact CZ-OE2 3.29Å; R130-E139 IonicContact NH1-OE1 3.77Å; R130-E139 PolarHBondContact NH1-OE1 3.48Å; R130-E139 IonicContact NH1-OE2 2.66Å; R130-E139 PolarHBondContact NH1-OE2 3.18Å; R130-E139 IonicContact NH2-OE1 3.84Å; R130-E139 PolarHBondContact NH2-OE1 3.37Å; R130-E139 IonicContact NH2-OE2 3.21Å; R130-E139 PolarHBondContact NH2-OE2 3.27Å
131	T	92.8	Very high	89.2	Confident	49 Å²	49	68.3 Å²	68.3	30%	0.301	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	142	169.6	-46.1	0	0	0	0	109.9	D37 F38 F39 F61	D37-T131 WeakPolarHBondContact O-CA 3.38Å; F38-T131 WeakPolarHBondContact O-CG2 3.33Å; F39-T131 WeakPolarHBondContact O-CG2 2.99Å; F61-T131 HydrophobicContact CD2-CG2 3.66Å; F61-T131 HydrophobicContact CE2-CG2 4.3Å; F61-T131 VanDerWaalsContact CE2-O 3.25Å; F61-T131 WeakPolarHBondContact CE2-O 3.4Å; F61-T131 HydrophobicContact CG-CG2 4.48Å
132	G	94.3	Very high	89.7	Confident	21 Å²	21	66.8 Å²	66.8	22%	0.216	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.3	5.2	176.6	0	0	0	0	0	115.2	D37 F38	D37-G132 PolarHBondContact O-N 2.8Å; F38-G132 VanDerWaalsContact O-CA 3.32Å; F38-G132 WeakPolarHBondContact O-CA 3.29Å; F38-G132 PolarHBondContact O-N 2.82Å
133	A	92.9	Very high	90.1	Very high	30 Å²	30	65.8 Å²	65.8	25%	0.248	37%	0.365	C	S	.	.			trans	-115.1	149.8	-175.8	0	0	0	0	0	112.5	D37 R130	D37-A133 PolarHBondContact N-O 3.34Å; R130-A133 HydrophobicContact CB-CB 4.29Å; R130-A133 HydrophobicContact CG-CB 4.25Å
134	A	94.6	Very high	90.5	Very high	57 Å²	57	59.7 Å²	59.7	47%	0.471	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-101.6	160.5	161.7	0	0	0	0	0	109.5
135	A	95	Very high	90.9	Very high	12 Å²	12	64.5 Å²	64.5	10%	0.099	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-58.4	139.9	173.2	0	0	0	0	0	111.5	F33 A34 T35 F140	F33-A135 HydrophobicContact CE2-CB 3.56Å; F33-A135 HydrophobicContact CZ-CB 3.76Å; A34-A135 WeakPolarHBondContact O-CB 3.19Å; T35-A135 PolarHBondContact O-N 2.99Å; A135-F140 HydrophobicContact CB-CD2 3.96Å; A135-F140 HydrophobicContact CB-CE2 3.51Å; A135-F140 HydrophobicContact CB-CZ 3.91Å
136	T	94.3	Very high	91.3	Very high	54 Å²	54	62.5 Å²	62.5	33%	0.331	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-78.4	156.9	176.2	58.2	0	0	0	0	111.1	E138 E139 F140	T136-E138 WeakPolarHBondContact CB-OE2 3.49Å; T136-E138 PolarHBondContact O-N 2.72Å; T136-E139 PolarHBondContact N-OE2 3.02Å; T136-E139 PolarHBondContact O-N 2.81Å; T136-E139 VanDerWaalsContact O-N 3.09Å; T136-E139 VanDerWaalsContact OG1-CD 3.24Å; T136-E139 WeakPolarHBondContact OG1-CG 3.34Å; T136-E139 PolarHBondContact OG1-N 3.3Å; T136-E139 PolarHBondContact OG1-OE2 3.19Å; T136-F140 VanDerWaalsContact O-CD2 3.3Å; T136-F140 WeakPolarHBondContact O-CD2 3.37Å; T136-F140 PolarHBondContact O-N 3.28Å; T136-F140 VanDerWaalsContact O-N 3.07Å
137	P	94.9	Very high	91.8	Very high	86 Å²	86	61.3 Å²	61.3	56%	0.558	35%	0.347	S	S	*	.	H	α-helix	trans	-52.6	-40.3	174.5	-27	36.1	0	0	0	113.3	E139 F140 E141	P137-E139 VanDerWaalsContact C-N 3.3Å; P137-E139 PolarHBondContact O-N 3.34Å; P137-F140 WeakPolarHBondContact O-CB 2.99Å; P137-F140 PolarHBondContact O-N 2.91Å; P137-E141 WeakPolarHBondContact O-CG 3.28Å; P137-E141 PolarHBondContact O-N 2.82Å
138	E	93.4	Very high	92.3	Very high	121 Å²	121	60.6 Å²	60.6	57%	0.565	35%	0.345	S	S	*	.	H	α-helix	trans	-63.1	-37.1	179.2	-62.8	74.8	-165.3	0	0	111.8	T136 E141 A142	T136-E138 WeakPolarHBondContact CB-OE2 3.49Å; T136-E138 PolarHBondContact O-N 2.72Å; E138-E141 PolarHBondContact O-N 3.3Å; E138-A142 WeakPolarHBondContact O-CB 3.45Å; E138-A142 PolarHBondContact O-N 3.42Å
139	E	93.8	Very high	93.1	Very high	12 Å²	12	63.4 Å²	63.4	6%	0.056	35%	0.348	C	S	.	.	H	α-helix	trans	-72.6	-35.5	176	-70.4	170.2	135.3	0	0	112.5	F33 P125 R130 T136 P137 E141 I143	F33-E139 HydrophobicContact CD2-CB 4.29Å; F33-E139 HydrophobicContact CE2-CB 4.13Å; P125-E139 HydrophobicContact CB-CG 4.34Å; P125-E139 HydrophobicContact CG-CG 4.18Å; R130-E139 IonicContact CZ-OE1 2.88Å; R130-E139 IonicContact CZ-OE2 2.85Å; R130-E139 VanDerWaalsContact CZ-OE2 3.29Å; R130-E139 IonicContact NH1-OE1 3.77Å; R130-E139 PolarHBondContact NH1-OE1 3.48Å; R130-E139 IonicContact NH1-OE2 2.66Å; R130-E139 PolarHBondContact NH1-OE2 3.18Å; R130-E139 IonicContact NH2-OE1 3.84Å; R130-E139 PolarHBondContact NH2-OE1 3.37Å; R130-E139 IonicContact NH2-OE2 3.21Å; R130-E139 PolarHBondContact NH2-OE2 3.27Å; T136-E139 PolarHBondContact N-OE2 3.02Å; T136-E139 PolarHBondContact O-N 2.81Å; T136-E139 VanDerWaalsContact O-N 3.09Å; T136-E139 VanDerWaalsContact OG1-CD 3.24Å; T136-E139 WeakPolarHBondContact OG1-CG 3.34Å; T136-E139 PolarHBondContact OG1-N 3.3Å; T136-E139 PolarHBondContact OG1-OE2 3.19Å; P137-E139 VanDerWaalsContact C-N 3.3Å; P137-E139 PolarHBondContact O-N 3.34Å; E139-E141 VanDerWaalsContact C-N 3.35Å; E139-I143 WeakPolarHBondContact O-CB 3.26Å; E139-I143 VanDerWaalsContact O-CG2 3.28Å; E139-I143 WeakPolarHBondContact O-CG2 3.21Å; E139-I143 PolarHBondContact O-N 3.49Å
140	F	95.2	Very high	93.9	Very high	87 Å²	87	63.6 Å²	63.6	38%	0.382	35%	0.35	S	S	.	.	H	α-helix	trans	-63.2	-41.8	171.5	-83.5	-72	0	0	0	111.5	F33 T35 A135 T136 P137 I143 A144	F33-F140 HydrophobicContact CE1-CE1 4.39Å; F33-F140 HydrophobicContact CE2-CD1 4.28Å; F33-F140 HydrophobicContact CE2-CE1 4.46Å; F33-F140 HydrophobicContact CE2-CG 4.48Å; F33-F140 AromaticContact CZ-CD1 3.73Å; F33-F140 HydrophobicContact CZ-CD1 3.73Å; F33-F140 AromaticContact CZ-CE1 3.57Å; F33-F140 HydrophobicContact CZ-CE1 3.57Å; F33-F140 HydrophobicContact CZ-CG 4.33Å; F33-F140 HydrophobicContact CZ-CZ 4.03Å; T35-F140 HydrophobicContact CG2-CE1 4.13Å; T35-F140 HydrophobicContact CG2-CZ 4.25Å; A135-F140 HydrophobicContact CB-CD2 3.96Å; A135-F140 HydrophobicContact CB-CE2 3.51Å; A135-F140 HydrophobicContact CB-CZ 3.91Å; T136-F140 VanDerWaalsContact O-CD2 3.3Å; T136-F140 WeakPolarHBondContact O-CD2 3.37Å; T136-F140 PolarHBondContact O-N 3.28Å; T136-F140 VanDerWaalsContact O-N 3.07Å; P137-F140 WeakPolarHBondContact O-CB 2.99Å; P137-F140 PolarHBondContact O-N 2.91Å; F140-I143 WeakPolarHBondContact O-CG2 3.48Å; F140-A144 VanDerWaalsContact O-CB 3.28Å; F140-A144 WeakPolarHBondContact O-CB 3.32Å; F140-A144 PolarHBondContact O-N 2.94Å; F140-A144 VanDerWaalsContact O-N 3.09Å
141	E	94.9	Very high	94.8	Very high	142 Å²	142	62 Å²	62	66%	0.664	34%	0.344	S	S	*	.	H	α-helix	trans	-63	-49.5	175.8	-73.2	178	-178.3	0	0	111.2	P137 E138 E139 I143 A144	P137-E141 WeakPolarHBondContact O-CG 3.28Å; P137-E141 PolarHBondContact O-N 2.82Å; E138-E141 PolarHBondContact O-N 3.3Å; E139-E141 VanDerWaalsContact C-N 3.35Å; E141-I143 PolarHBondContact O-N 3.18Å; E141-A144 PolarHBondContact O-N 2.9Å
142	A	93.7	Very high	95	Very high	13 Å²	13	62.5 Å²	62.5	11%	0.107	35%	0.35	C	S	.	.	H	α-helix	trans	-62.1	-43.3	179.8	0	0	0	0	0	112.8	E138 A144 E145	E138-A142 WeakPolarHBondContact O-CB 3.45Å; E138-A142 PolarHBondContact O-N 3.42Å; A142-A144 VanDerWaalsContact C-N 3.32Å; A142-A144 PolarHBondContact O-N 2.82Å; A142-E145 PolarHBondContact O-N 3.21Å
143	I	95.3	Very high	95.2	Very high	2 Å²	2	67.9 Å²	67.9	1%	0.01	36%	0.364	C	S	.	.	H	α-helix	trans	-73.6	-24.7	-178.8	-158.1	67	0	0	0	112.6	F33 W80 V82 I124 E139 F140 E141 E145 L146	F33-I143 HydrophobicContact CB-CB 4.31Å; F33-I143 HydrophobicContact CB-CD1 3.59Å; F33-I143 HydrophobicContact CB-CG1 3.68Å; F33-I143 HydrophobicContact CD1-CG1 4.1Å; F33-I143 HydrophobicContact CD1-CG2 4.27Å; F33-I143 HydrophobicContact CD2-CB 3.85Å; F33-I143 HydrophobicContact CD2-CG1 4.1Å; F33-I143 HydrophobicContact CD2-CG2 3.75Å; F33-I143 HydrophobicContact CE1-CG2 4.25Å; F33-I143 HydrophobicContact CE2-CB 4.33Å; F33-I143 HydrophobicContact CE2-CG2 3.73Å; F33-I143 HydrophobicContact CG-CB 3.99Å; F33-I143 HydrophobicContact CG-CD1 4.18Å; F33-I143 HydrophobicContact CG-CG1 3.69Å; F33-I143 HydrophobicContact CG-CG2 4.03Å; F33-I143 HydrophobicContact CZ-CG2 4Å; W80-I143 HydrophobicContact CH2-CG1 4.01Å; W80-I143 HydrophobicContact CH2-CG2 3.67Å; W80-I143 HydrophobicContact CZ2-CG2 4.45Å; W80-I143 HydrophobicContact CZ3-CG1 4.08Å; V82-I143 HydrophobicContact CB-CD1 4.25Å; V82-I143 HydrophobicContact CG1-CD1 4.37Å; V82-I143 HydrophobicContact CG2-CD1 4.48Å; V82-I143 HydrophobicContact CG2-CG1 4.49Å; I124-I143 HydrophobicContact CD1-CD1 3.86Å; E139-I143 WeakPolarHBondContact O-CB 3.26Å; E139-I143 VanDerWaalsContact O-CG2 3.28Å; E139-I143 WeakPolarHBondContact O-CG2 3.21Å; E139-I143 PolarHBondContact O-N 3.49Å; F140-I143 WeakPolarHBondContact O-CG2 3.48Å; E141-I143 PolarHBondContact O-N 3.18Å; I143-E145 PolarHBondContact O-N 2.89Å; I143-L146 HydrophobicContact CD1-CD1 3.51Å; I143-L146 HydrophobicContact CD1-CG 4.24Å; I143-L146 HydrophobicContact CG1-CD1 4.4Å; I143-L146 WeakPolarHBondContact O-CB 3.31Å; I143-L146 PolarHBondContact O-N 2.86Å
144	A	95.2	Very high	95.4	Very high	62 Å²	62	67.6 Å²	67.6	51%	0.512	36%	0.359	S	S	.	.	H	α-helix	trans	-64.9	-27.4	178.3	0	0	0	0	0	112.4	F140 E141 A142 L146 K147	F140-A144 VanDerWaalsContact O-CB 3.28Å; F140-A144 WeakPolarHBondContact O-CB 3.32Å; F140-A144 PolarHBondContact O-N 2.94Å; F140-A144 VanDerWaalsContact O-N 3.09Å; E141-A144 PolarHBondContact O-N 2.9Å; A142-A144 VanDerWaalsContact C-N 3.32Å; A142-A144 PolarHBondContact O-N 2.82Å; A144-L146 PolarHBondContact O-N 3.19Å; A144-K147 PolarHBondContact O-N 3.31Å
145	E	94.3	Very high	95.6	Very high	137 Å²	137	65.1 Å²	65.1	64%	0.64	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-26.2	175.5	-66.5	-168.9	-160.6	0	0	113	P122 A142 I143 K147	P122-E145 HydrophobicContact CB-CB 3.92Å; P122-E145 HydrophobicContact CB-CG 4.49Å; P122-E145 WeakPolarHBondContact CB-OE2 3.29Å; P122-E145 HydrophobicContact CG-CB 3.98Å; A142-E145 PolarHBondContact O-N 3.21Å; I143-E145 PolarHBondContact O-N 2.89Å; E145-K147 PolarHBondContact O-N 2.83Å
146	L	94.2	Very high	95.7	Very high	14 Å²	14	68.6 Å²	68.6	7%	0.073	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-14.4	174.5	-66.3	-169.4	0	0	0	113.9	V82 L116 L121 P122 I124 I143 A144 S148 W151	V82-L146 HydrophobicContact CG1-CD1 4.2Å; L116-L146 HydrophobicContact CD1-CD2 3.88Å; L121-L146 HydrophobicContact CD2-CD2 3.89Å; P122-L146 HydrophobicContact CG-CD2 3.64Å; P122-L146 HydrophobicContact CG-CG 4.11Å; I124-L146 HydrophobicContact CD1-CD1 4Å; I124-L146 HydrophobicContact CD1-CG 4.41Å; I143-L146 HydrophobicContact CD1-CD1 3.51Å; I143-L146 HydrophobicContact CD1-CG 4.24Å; I143-L146 HydrophobicContact CG1-CD1 4.4Å; I143-L146 WeakPolarHBondContact O-CB 3.31Å; I143-L146 PolarHBondContact O-N 2.86Å; A144-L146 PolarHBondContact O-N 3.19Å; L146-S148 PolarHBondContact O-N 2.94Å; L146-W151 HydrophobicContact CB-CZ2 4.06Å; L146-W151 HydrophobicContact CD1-CH2 4.3Å; L146-W151 HydrophobicContact CD1-CZ2 4.11Å; L146-W151 PolarHBondContact O-NE1 3.03Å; L146-W151 VanDerWaalsContact O-NE1 3.08Å
147	K	95.6	Very high	95.9	Very high	137 Å²	137	71.2 Å²	71.2	60%	0.596	37%	0.369	S	S	*	.			trans	48	46.9	-175.8	-58	-178.5	-176.9	179.8	0	111.7	A144 E145 D149 D150	A144-K147 PolarHBondContact O-N 3.31Å; E145-K147 PolarHBondContact O-N 2.83Å; K147-D149 PolarHBondContact O-N 3.18Å; K147-D149 VanDerWaalsContact O-N 3.1Å; K147-D150 PolarHBondContact O-N 2.98Å
148	S	96.3	Very high	96.1	Very high	2 Å²	2	69.3 Å²	69.3	1%	0.014	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-67.3	-11.9	-171.8	71.5	0	0	0	0	114.1	Q112 L146 D150 W151 R184	Q112-S148 PolarHBondContact NE2-O 2.89Å; L146-S148 PolarHBondContact O-N 2.94Å; S148-D150 VanDerWaalsContact C-N 3.3Å; S148-W151 WeakPolarHBondContact O-CB 3.48Å; S148-R184 PolarHBondContact O-NH1 3Å; S148-R184 VanDerWaalsContact O-NH1 3.14Å; S148-R184 PolarHBondContact OG-NH1 2.84Å
149	D	95	Very high	96.3	Very high	111 Å²	111	70.3 Å²	70.3	59%	0.594	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-68.8	-28.8	171.2	-59.2	-67.4	0	0	0	112.4	Q112 K147 W151 R184	Q112-D149 PolarHBondContact NE2-O 2.78Å; K147-D149 PolarHBondContact O-N 3.18Å; K147-D149 VanDerWaalsContact O-N 3.1Å; D149-W151 VanDerWaalsContact C-N 3.3Å; D149-W151 PolarHBondContact O-N 3.43Å; D149-R184 VanDerWaalsContact CA-NH1 3.31Å; D149-R184 VanDerWaalsContact CG-NH1 3.29Å; D149-R184 VanDerWaalsContact N-NH1 3.15Å; D149-R184 IonicContact OD1-CZ 3.72Å; D149-R184 IonicContact OD1-NH1 3.8Å; D149-R184 PolarHBondContact OD1-NH1 2.81Å; D149-R184 IonicContact OD1-NH2 3.55Å; D149-R184 PolarHBondContact OD1-NH2 3.32Å; D149-R184 VanDerWaalsContact OD1-NH2 3.14Å; D149-R184 IonicContact OD2-NH1 3.23Å
150	D	96.3	Very high	96.5	Very high	133 Å²	133	69.9 Å²	69.9	71%	0.711	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-87.1	0.7	-179.2	-62.6	-36.6	0	0	0	113	K147 S148	K147-D150 PolarHBondContact O-N 2.98Å; S148-D150 VanDerWaalsContact C-N 3.3Å
151	W	97.8	Very high	96.5	Very high	20 Å²	20	73.1 Å²	73.1	8%	0.076	37%	0.373	C	S	.	.	S	Bend	trans	-69.9	151.4	-177.2	-71.9	11.4	0	0	0	112.5	V82 Q112 A114 L116 L146 S148 D149 Y153 H182 R184	V82-W151 HydrophobicContact CG1-CH2 3.83Å; V82-W151 HydrophobicContact CG1-CZ3 4.27Å; V82-W151 HydrophobicContact CG2-CH2 4.41Å; V82-W151 HydrophobicContact CG2-CZ3 4.49Å; Q112-W151 HydrophobicContact CB-CB 3.81Å; Q112-W151 PolarHBondContact NE2-O 3.36Å; A114-W151 HydrophobicContact CB-CD2 3.41Å; A114-W151 VanDerWaalsContact CB-CD2 3.41Å; A114-W151 HydrophobicContact CB-CE3 3.93Å; A114-W151 HydrophobicContact CB-CG 3.69Å; A114-W151 HydrophobicContact CB-CH2 4.42Å; A114-W151 HydrophobicContact CB-CZ2 3.96Å; A114-W151 HydrophobicContact CB-CZ3 4.4Å; L116-W151 HydrophobicContact CD1-CH2 4.31Å; L116-W151 HydrophobicContact CD1-CZ2 3.78Å; L146-W151 HydrophobicContact CB-CZ2 4.06Å; L146-W151 HydrophobicContact CD1-CH2 4.3Å; L146-W151 HydrophobicContact CD1-CZ2 4.11Å; L146-W151 PolarHBondContact O-NE1 3.03Å; L146-W151 VanDerWaalsContact O-NE1 3.08Å; S148-W151 WeakPolarHBondContact O-CB 3.48Å; D149-W151 VanDerWaalsContact C-N 3.3Å; D149-W151 PolarHBondContact O-N 3.43Å; W151-Y153 PolarHBondContact O-N 3.35Å; W151-H182 HydrophobicContact CH2-CB 3.57Å; W151-H182 HydrophobicContact CZ2-CB 4.43Å; W151-H182 HydrophobicContact CZ3-CB 3.81Å; W151-R184 HydrophobicContact CE3-CB 3.96Å; W151-R184 HydrophobicContact CZ3-CB 4.01Å
152	S	97.8	Very high	96.4	Very high	60 Å²	60	70 Å²	70	42%	0.42	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	126.8	-176.9	-67.3	0	0	0	0	111.2	Q112 A113 L154	Q112-S152 CarbonylContact C-O 3.45Å; Q112-S152 WeakPolarHBondContact CA-O 3.14Å; A113-S152 PolarHBondContact N-O 2.98Å; A113-S152 PolarHBondContact O-N 3.37Å; A113-S152 VanDerWaalsContact O-N 3.17Å; S152-L154 PolarHBondContact O-N 3.06Å
153	Y	97.8	Very high	96.3	Very high	133 Å²	133	70.1 Å²	70.1	52%	0.522	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	118.4	171.8	-75.5	-81.8	0	0	0	110.8	Q112 W151	Q112-Y153 HydrophobicContact CG-CD1 3.41Å; Q112-Y153 VanDerWaalsContact CG-CD1 3.41Å; Q112-Y153 HydrophobicContact CG-CD2 4.25Å; Q112-Y153 HydrophobicContact CG-CE1 3.31Å; Q112-Y153 HydrophobicContact CG-CE2 4.18Å; Q112-Y153 HydrophobicContact CG-CG 3.89Å; W151-Y153 PolarHBondContact O-N 3.35Å
154	L	97.9	Very high	96	Very high	25 Å²	25	74.3 Å²	74.3	13%	0.131	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-29.4	166.9	-62.1	-172.1	0	0	0	111.6	I91 F94 I111 A113 S152 V174 W180	I91-L154 HydrophobicContact CB-CD1 4.41Å; I91-L154 HydrophobicContact CD1-CD1 3.58Å; F94-L154 HydrophobicContact CE2-CB 3.91Å; F94-L154 HydrophobicContact CE2-CD1 4.2Å; F94-L154 HydrophobicContact CZ-CB 4.41Å; F94-L154 HydrophobicContact CZ-CD1 4.02Å; I111-L154 PolarHBondContact O-N 3.41Å; A113-L154 HydrophobicContact CB-CD1 3.47Å; A113-L154 VanDerWaalsContact CB-CD1 3.47Å; A113-L154 HydrophobicContact CB-CG 3.82Å; S152-L154 PolarHBondContact O-N 3.06Å; L154-V174 HydrophobicContact CB-CG1 4.31Å; L154-V174 HydrophobicContact CB-CG2 4.27Å; L154-V174 HydrophobicContact CD1-CG1 4.28Å; L154-V174 HydrophobicContact CD2-CG1 4.06Å; L154-V174 HydrophobicContact CG-CG1 4.46Å; L154-W180 HydrophobicContact CD1-CD2 4.41Å; L154-W180 HydrophobicContact CD1-CG 4.38Å; L154-W180 HydrophobicContact CD2-CH2 4.49Å; L154-W180 HydrophobicContact CD2-CZ2 3.71Å
155	V	98.3	Very high	95.7	Very high	5 Å²	5	74.2 Å²	74.2	3%	0.03	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	115.8	170.6	-174.3	0	0	0	0	107.5	F94 M109 S110 I111 F172	F94-V155 HydrophobicContact CD2-CG2 3.56Å; F94-V155 HydrophobicContact CE2-CG2 3.89Å; M109-V155 HydrophobicContact SD-CG1 4.21Å; S110-V155 WeakPolarHBondContact CB-O 3.4Å; I111-V155 HydrophobicContact CB-CB 3.99Å; I111-V155 HydrophobicContact CB-CG2 4.11Å; I111-V155 HydrophobicContact CD1-CG2 4.24Å; I111-V155 HydrophobicContact CG1-CB 4.27Å; I111-V155 HydrophobicContact CG1-CG2 4.35Å; I111-V155 PolarHBondContact N-O 3.08Å; I111-V155 PolarHBondContact O-N 3.27Å; V155-F172 HydrophobicContact CG1-CB 4.3Å; V155-F172 HydrophobicContact CG1-CD1 3.81Å; V155-F172 HydrophobicContact CG1-CE1 4.28Å; V155-F172 HydrophobicContact CG1-CG 3.97Å; V155-F172 HydrophobicContact CG2-CB 3.79Å; V155-F172 HydrophobicContact CG2-CG 4.24Å
156	P	97.9	Very high	95.4	Very high	84 Å²	84	72.2 Å²	72.2	55%	0.545	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	168.9	175.2	31.3	-35.8	0	0	0	110.4	T158	P156-T158 PolarHBondContact O-N 2.9Å; P156-T158 PolarHBondContact O-OG1 3.18Å
157	M	98.4	Very high	95.2	Very high	109 Å²	109	74.8 Å²	74.8	54%	0.537	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	115.8	175.2	-172.5	-174.4	-62.5	0	0	110.7	R108 M109 F188	R108-M157 HydrophobicContact CB-CG 4.38Å; M109-M157 CarbonylContact O-C 3.57Å; M109-M157 VanDerWaalsContact O-CA 3.31Å; M109-M157 WeakPolarHBondContact O-CA 3.2Å; M157-F188 HydrophobicContact CE-CD1 3.73Å; M157-F188 HydrophobicContact CE-CD2 4.03Å; M157-F188 HydrophobicContact CE-CE1 3.51Å; M157-F188 HydrophobicContact CE-CE2 3.83Å; M157-F188 HydrophobicContact CE-CG 4Å; M157-F188 HydrophobicContact CE-CZ 3.58Å; M157-F188 HydrophobicContact CG-CD2 4.03Å; M157-F188 HydrophobicContact CG-CE2 4.06Å; M157-F188 HydrophobicContact SD-CD2 4.36Å; M157-F188 HydrophobicContact SD-CG 4.41Å
158	T	98.3	Very high	95	Very high	47 Å²	47	68.3 Å²	68.3	29%	0.288	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	146.6	-173.2	-53.2	0	0	0	0	109.9	R108 M109 P156 F172	R108-T158 CarbonylContact C-O 3.57Å; R108-T158 WeakPolarHBondContact CA-O 3.5Å; R108-T158 WeakPolarHBondContact CB-O 3.31Å; M109-T158 PolarHBondContact N-O 3.49Å; M109-T158 PolarHBondContact O-N 3.12Å; P156-T158 PolarHBondContact O-N 2.9Å; P156-T158 PolarHBondContact O-OG1 3.18Å; T158-F172 HydrophobicContact CG2-CE1 3.86Å
159	E	98.3	Very high	95	Very high	142 Å²	142	71.4 Å²	71.4	66%	0.664	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.4	134.8	175.1	-170.2	173.6	-175.6	0	0	111.1	R108	R108-E159 HydrophobicContact CG-CB 4.32Å
160	L	97.6	Very high	95	Very high	2 Å²	2	66.6 Å²	66.6	1%	0.01	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-87.6	137.7	173.5	-74.9	173.5	0	0	0	109.7	V96 V98 Y105 A106 P107 M109 N170 F172 I193	V96-L160 HydrophobicContact CB-CD2 4.13Å; V96-L160 HydrophobicContact CG1-CD1 4.1Å; V96-L160 HydrophobicContact CG1-CD2 3.83Å; V98-L160 HydrophobicContact CG1-CD1 4.03Å; Y105-L160 HydrophobicContact CD2-CB 4.29Å; Y105-L160 HydrophobicContact CE2-CB 4.36Å; A106-L160 HydrophobicContact CB-CD1 4.14Å; A106-L160 VanDerWaalsContact O-CD1 3.3Å; A106-L160 WeakPolarHBondContact O-CD1 3.43Å; P107-L160 PolarHBondContact O-N 2.88Å; M109-L160 HydrophobicContact CB-CD1 4.08Å; M109-L160 HydrophobicContact CB-CG 4.4Å; M109-L160 HydrophobicContact CG-CD1 3.76Å; M109-L160 HydrophobicContact CG-CD2 3.75Å; M109-L160 HydrophobicContact CG-CG 3.65Å; L160-N170 HydrophobicContact CD2-CB 3.7Å; L160-F172 HydrophobicContact CD2-CE2 4.15Å; L160-F172 HydrophobicContact CD2-CZ 4.03Å; L160-I193 HydrophobicContact CD1-CD1 4.24Å; L160-I193 HydrophobicContact CD1-CG1 4.41Å
161	K	96.1	Very high	95.1	Very high	156 Å²	156	66.8 Å²	66.8	68%	0.678	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-84	126.7	173.2	-61.9	177.2	-176.4	173.9	0	108.5	V98 N170	V98-K161 WeakPolarHBondContact CG2-O 3.22Å; K161-N170 WeakPolarHBondContact CB-OD1 3.49Å; K161-N170 PolarHBondContact N-OD1 2.77Å; K161-N170 PolarHBondContact O-ND2 2.91Å
162	P	93.4	Very high	95	Very high	77 Å²	77	67.4 Å²	67.4	50%	0.5	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-66	154.8	172.5	27.1	-32.6	0	0	0	110.5	Y105	Y105-P162 HydrophobicContact CD1-CB 4.14Å; Y105-P162 HydrophobicContact CE1-CB 3.64Å; Y105-P162 HydrophobicContact CE1-CG 4.29Å; Y105-P162 HydrophobicContact CE2-CB 4.29Å
163	G	90.1	Very high	94.9	Very high	15 Å²	15	71.1 Å²	71.1	16%	0.155	38%	0.379	C	S	.	.			trans	-168.8	166.8	175.8	0	0	0	0	0	112.8	S167	G163-S167 VanDerWaalsContact CA-OG 3.3Å; G163-S167 WeakPolarHBondContact CA-OG 3.32Å
164	N	89.7	Confident	94.7	Very high	89 Å²	89	65.3 Å²	65.3	48%	0.476	36%	0.358	S	S	.	.			trans	-90.5	-178.8	167.1	67.7	32.6	0	0	0	109	A166 S167 G168	N164-A166 PolarHBondContact O-N 3.37Å; N164-A166 WeakPolarHBondContact OD1-CA 3.3Å; N164-A166 WeakPolarHBondContact OD1-CB 3.33Å; N164-A166 PolarHBondContact OD1-N 3.22Å; N164-S167 PolarHBondContact N-OG 3.24Å; N164-S167 CarbonylContact O-C 3.59Å; N164-S167 PolarHBondContact O-N 2.9Å; N164-S167 PolarHBondContact OD1-N 3Å; N164-G168 WeakPolarHBondContact O-CA 3.48Å; N164-G168 PolarHBondContact O-N 3.46Å
165	P	89.8	Confident	94.4	Very high	60 Å²	60	71.8 Å²	71.8	39%	0.39	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-19	179.9	-29.2	37.5	0	0	0	116.5	S99 Y100	S99-P165 WeakPolarHBondContact OG-CA 3.3Å; Y100-P165 HydrophobicContact CD1-CG 3.8Å; Y100-P165 HydrophobicContact CD2-CG 4.39Å; Y100-P165 HydrophobicContact CE1-CB 4.47Å; Y100-P165 HydrophobicContact CE1-CG 3.24Å; Y100-P165 HydrophobicContact CE2-CG 3.85Å; Y100-P165 HydrophobicContact CG-CG 4.37Å; Y100-P165 WeakPolarHBondContact OH-CG 3.44Å
166	A	87.2	Confident	94.1	Very high	95 Å²	95	72.5 Å²	72.5	79%	0.785	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-15.3	175.2	0	0	0	0	0	113.7	N164	N164-A166 PolarHBondContact O-N 3.37Å; N164-A166 WeakPolarHBondContact OD1-CA 3.3Å; N164-A166 WeakPolarHBondContact OD1-CB 3.33Å; N164-A166 PolarHBondContact OD1-N 3.22Å
167	S	89.5	Confident	93.7	Very high	69 Å²	69	74.4 Å²	74.4	48%	0.483	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.3	6.6	-173	76	0	0	0	0	114.9	G163 N164 H169	G163-S167 VanDerWaalsContact CA-OG 3.3Å; G163-S167 WeakPolarHBondContact CA-OG 3.32Å; N164-S167 PolarHBondContact N-OG 3.24Å; N164-S167 CarbonylContact O-C 3.59Å; N164-S167 PolarHBondContact O-N 2.9Å; N164-S167 PolarHBondContact OD1-N 3Å; S167-H169 VanDerWaalsContact C-N 3.31Å; S167-H169 PolarHBondContact O-N 3.13Å
168	G	91.6	Very high	93.5	Very high	0 Å²	0	74.8 Å²	74.8	0%	0	40%	0.4	C	S	.	.			trans	-80.7	-5.6	-175.6	0	0	0	0	0	114.8	V98 N164 N170	V98-G168 WeakPolarHBondContact CG2-O 3.38Å; V98-G168 PolarHBondContact N-O 3.43Å; N164-G168 WeakPolarHBondContact O-CA 3.48Å; N164-G168 PolarHBondContact O-N 3.46Å; G168-N170 PolarHBondContact O-ND2 3.28Å
169	H	95.8	Very high	93.4	Very high	67 Å²	67	74.9 Å²	74.9	31%	0.31	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	122.4	-179.6	-65.4	-88.3	0	0	0	111.9	D95 D97 S167 Y171	D95-H169 WeakPolarHBondContact OD1-CB 3.42Å; D95-H169 IonicContact OD1-CG 2.8Å; D95-H169 IonicContact OD1-ND1 2.75Å; D95-H169 PolarHBondContact OD1-ND1 3.35Å; D95-H169 IonicContact OD2-CE1 3.86Å; D95-H169 IonicContact OD2-CG 2.87Å; D95-H169 IonicContact OD2-ND1 2.91Å; D95-H169 PolarHBondContact OD2-ND1 2.79Å; D97-H169 IonicContact OD2-CE1 3.36Å; D97-H169 IonicContact OD2-NE2 3.72Å; S167-H169 VanDerWaalsContact C-N 3.31Å; S167-H169 PolarHBondContact O-N 3.13Å; H169-Y171 HydrophobicContact CB-CD2 4.37Å; H169-Y171 HydrophobicContact CB-CE1 4.47Å; H169-Y171 HydrophobicContact CB-CE2 3.54Å
170	N	96.8	Very high	93.3	Very high	11 Å²	11	68.5 Å²	68.5	6%	0.059	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	107.6	175.5	-69.7	-96.9	0	0	0	109.8	V96 L160 K161 G168 F172	V96-N170 HydrophobicContact CB-CB 4.28Å; V96-N170 PolarHBondContact N-O 3.4Å; V96-N170 WeakPolarHBondContact O-CB 3.43Å; V96-N170 PolarHBondContact O-N 3.36Å; L160-N170 HydrophobicContact CD2-CB 3.7Å; K161-N170 WeakPolarHBondContact CB-OD1 3.49Å; K161-N170 PolarHBondContact N-OD1 2.77Å; K161-N170 PolarHBondContact O-ND2 2.91Å; G168-N170 PolarHBondContact O-ND2 3.28Å; N170-F172 HydrophobicContact CB-CE2 3.83Å; N170-F172 HydrophobicContact CB-CZ 4.05Å; N170-F172 WeakPolarHBondContact O-CD2 3.29Å; N170-F172 WeakPolarHBondContact O-CE2 3.46Å
171	Y	96.6	Very high	93.2	Very high	137 Å²	137	68.4 Å²	68.4	54%	0.537	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	131.9	-176.3	-59.5	-79.1	0	0	0	112.6	F94 D95 H169	F94-Y171 CarbonylContact O-C 3.58Å; F94-Y171 WeakPolarHBondContact O-CA 3.34Å; D95-Y171 HydrophobicContact CB-CD1 3.8Å; D95-Y171 HydrophobicContact CB-CE1 3.69Å; H169-Y171 HydrophobicContact CB-CD2 4.37Å; H169-Y171 HydrophobicContact CB-CE1 4.47Å; H169-Y171 HydrophobicContact CB-CE2 3.54Å
172	F	96.1	Very high	93.3	Very high	32 Å²	32	61 Å²	61	14%	0.14	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	121.3	177.7	-56	-81.4	0	0	0	110.7	A93 F94 V96 M109 V155 T158 L160 N170	A93-F172 CarbonylContact C-O 3.57Å; A93-F172 WeakPolarHBondContact CA-O 3.4Å; A93-F172 VanDerWaalsContact CB-O 3.31Å; A93-F172 WeakPolarHBondContact CB-O 3.37Å; F94-F172 HydrophobicContact CB-CB 4.36Å; F94-F172 HydrophobicContact CB-CD2 4.42Å; F94-F172 PolarHBondContact N-O 3.14Å; F94-F172 PolarHBondContact O-N 3.45Å; V96-F172 HydrophobicContact CB-CE2 4.1Å; V96-F172 HydrophobicContact CG2-CD2 3.92Å; V96-F172 HydrophobicContact CG2-CE2 3.7Å; M109-F172 HydrophobicContact SD-CE2 4.15Å; M109-F172 HydrophobicContact SD-CZ 4.29Å; V155-F172 HydrophobicContact CG1-CB 4.3Å; V155-F172 HydrophobicContact CG1-CD1 3.81Å; V155-F172 HydrophobicContact CG1-CE1 4.28Å; V155-F172 HydrophobicContact CG1-CG 3.97Å; V155-F172 HydrophobicContact CG2-CB 3.79Å; V155-F172 HydrophobicContact CG2-CG 4.24Å; T158-F172 HydrophobicContact CG2-CE1 3.86Å; L160-F172 HydrophobicContact CD2-CE2 4.15Å; L160-F172 HydrophobicContact CD2-CZ 4.03Å; N170-F172 HydrophobicContact CB-CE2 3.83Å; N170-F172 HydrophobicContact CB-CZ 4.05Å; N170-F172 WeakPolarHBondContact O-CD2 3.29Å; N170-F172 WeakPolarHBondContact O-CE2 3.46Å
173	L	95.8	Very high	93.6	Very high	138 Å²	138	57.3 Å²	57.3	72%	0.723	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.9	139.1	176.2	-72.2	174.3	0	0	0	111.1	F16 A93	F16-L173 HydrophobicContact CE1-CD2 4.24Å; F16-L173 HydrophobicContact CE2-CD2 4.27Å; F16-L173 HydrophobicContact CZ-CD2 3.46Å; F16-L173 VanDerWaalsContact CZ-CD2 3.46Å; A93-L173 HydrophobicContact CB-CD2 4.37Å
174	V	94.4	Very high	94	Very high	12 Å²	12	56.9 Å²	56.9	7%	0.073	30%	0.302	C	S	.	.			trans	-113.7	120.7	178.1	178.7	0	0	0	0	109.7	I91 R92 F94 L154 S176	I91-V174 HydrophobicContact CG2-CB 4.33Å; I91-V174 HydrophobicContact CG2-CG2 4Å; R92-V174 PolarHBondContact O-N 2.87Å; F94-V174 HydrophobicContact CD2-CG2 3.64Å; F94-V174 HydrophobicContact CE2-CG2 3.42Å; F94-V174 VanDerWaalsContact CE2-CG2 3.42Å; F94-V174 HydrophobicContact CZ-CG2 4.5Å; L154-V174 HydrophobicContact CB-CG1 4.31Å; L154-V174 HydrophobicContact CB-CG2 4.27Å; L154-V174 HydrophobicContact CD1-CG1 4.28Å; L154-V174 HydrophobicContact CD2-CG1 4.06Å; L154-V174 HydrophobicContact CG-CG1 4.46Å; V174-S176 PolarHBondContact O-N 2.76Å
175	N	91.1	Very high	94.4	Very high	161 Å²	161	52.6 Å²	52.6	86%	0.861	28%	0.279	S	S	*	.			trans	-100.5	62	175	-167.7	23.8	0	0	0	111.1
176	S	91.1	Very high	94.8	Very high	20 Å²	20	49.9 Å²	49.9	14%	0.14	26%	0.261	C	S	.	.			trans	-126.9	142.8	173.6	-177.4	0	0	0	0	109.8	V90 R92 V174 Q178	V90-S176 VanDerWaalsContact CG1-O 3.32Å; V90-S176 WeakPolarHBondContact CG1-O 3.35Å; R92-S176 PolarHBondContact NH1-O 2.85Å; V174-S176 PolarHBondContact O-N 2.76Å; S176-Q178 PolarHBondContact OG-N 2.7Å
177	Q	91.1	Very high	95.4	Very high	124 Å²	124	45.3 Å²	45.3	58%	0.579	22%	0.224	S	C	*	.			trans	-105.4	3	171.2	-56.7	-59.4	-29.1	0	0	111.8
178	Q	94.3	Very high	95.8	Very high	116 Å²	116	43.2 Å²	43.2	54%	0.542	21%	0.206	S	C	.	.	S	Bend	trans	-72.6	150.3	178.7	-65	-177.6	-6.7	0	0	110.5	S176 W180	S176-Q178 PolarHBondContact OG-N 2.7Å; Q178-W180 HydrophobicContact CB-CH2 4.41Å; Q178-W180 HydrophobicContact CB-CZ2 3.72Å; Q178-W180 HydrophobicContact CG-CZ2 4.41Å; Q178-W180 VanDerWaalsContact O-CD1 3.23Å; Q178-W180 PolarHBondContact O-NE1 2.76Å
179	R	94.4	Very high	96.1	Very high	49 Å²	49	45.7 Å²	45.7	19%	0.185	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	132.7	170.9	-172.3	-178.7	-179.5	-94.5	6.1	109.4	Q88 G89 N115 Q203	Q88-R179 VanDerWaalsContact CB-NH2 3.28Å; G89-R179 WeakPolarHBondContact O-CA 3.37Å; N115-R179 WeakPolarHBondContact CB-O 3.3Å; N115-R179 PolarHBondContact OD1-NH1 2.83Å; R179-Q203 PolarHBondContact NE-O 3.14Å
180	W	96.8	Very high	96.2	Very high	8 Å²	8	43.9 Å²	43.9	3%	0.03	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	150.9	178.6	-57.3	106.2	0	0	0	110.8	L85 Q88 G89 I91 A113 L154 Q178	L85-W180 HydrophobicContact CD1-CB 4.48Å; Q88-W180 WeakPolarHBondContact CA-O 3.38Å; G89-W180 PolarHBondContact N-O 3.27Å; G89-W180 VanDerWaalsContact N-O 3.09Å; G89-W180 PolarHBondContact O-N 3.07Å; I91-W180 HydrophobicContact CD1-CB 3.68Å; I91-W180 HydrophobicContact CD1-CG 3.82Å; I91-W180 HydrophobicContact CG1-CB 4.26Å; I91-W180 HydrophobicContact CG1-CG 4.39Å; A113-W180 HydrophobicContact CB-CB 4.37Å; A113-W180 HydrophobicContact CB-CD2 3.64Å; A113-W180 HydrophobicContact CB-CE3 3.46Å; A113-W180 VanDerWaalsContact CB-CE3 3.46Å; A113-W180 HydrophobicContact CB-CG 4.05Å; A113-W180 HydrophobicContact CB-CZ3 3.99Å; A113-W180 VanDerWaalsContact O-CZ3 3.24Å; A113-W180 WeakPolarHBondContact O-CZ3 3.4Å; L154-W180 HydrophobicContact CD1-CD2 4.41Å; L154-W180 HydrophobicContact CD1-CG 4.38Å; L154-W180 HydrophobicContact CD2-CH2 4.49Å; L154-W180 HydrophobicContact CD2-CZ2 3.71Å; Q178-W180 HydrophobicContact CB-CH2 4.41Å; Q178-W180 HydrophobicContact CB-CZ2 3.72Å; Q178-W180 HydrophobicContact CG-CZ2 4.41Å; Q178-W180 VanDerWaalsContact O-CD1 3.23Å; Q178-W180 PolarHBondContact O-NE1 2.76Å
181	T	96.6	Very high	96.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	-32.3	-175.8	59.4	0	0	0	0	112.4	L85 Q88 A114 N115 L116	L85-T181 WeakPolarHBondContact CB-O 3.24Å; L85-T181 PolarHBondContact N-O 3.06Å; Q88-T181 HydrophobicContact CB-CG2 4.1Å; Q88-T181 HydrophobicContact CG-CG2 3.84Å; A114-T181 PolarHBondContact O-N 3.01Å; A114-T181 PolarHBondContact O-OG1 2.86Å; N115-T181 WeakPolarHBondContact CA-OG1 3.43Å; N115-T181 WeakPolarHBondContact OD1-CG2 3.26Å; L116-T181 PolarHBondContact N-OG1 3.29Å
182	H	97.8	Very high	96.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	150.4	-176.2	-65.6	78.8	0	0	0	109.8	L83 R84 A113 A114 L116 W151	L83-H182 WeakPolarHBondContact O-CA 3.02Å; R84-H182 WeakPolarHBondContact CG-NE2 3.16Å; A113-H182 VanDerWaalsContact CA-O 3.28Å; A113-H182 WeakPolarHBondContact CA-O 3.34Å; A114-H182 PolarHBondContact N-O 3.11Å; A114-H182 PolarHBondContact O-N 3.05Å; A114-H182 VanDerWaalsContact O-N 3.11Å; L116-H182 HydrophobicContact CD1-CB 4.28Å; W151-H182 HydrophobicContact CH2-CB 3.57Å; W151-H182 HydrophobicContact CZ2-CB 4.43Å; W151-H182 HydrophobicContact CZ3-CB 3.81Å
183	I	98.4	Very high	96.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	140.3	179.7	-61.5	-167.5	0	0	0	109.2	V82 L83 L85 I91 F94 I111 Q112 A113 V198	V82-I183 CarbonylContact C-O 3.51Å; V82-I183 WeakPolarHBondContact CA-O 3.07Å; L83-I183 HydrophobicContact CD1-CB 4.28Å; L83-I183 HydrophobicContact CD2-CB 4.22Å; L83-I183 HydrophobicContact CD2-CG2 4.3Å; L83-I183 HydrophobicContact CG-CB 4.01Å; L83-I183 PolarHBondContact N-O 2.92Å; L83-I183 PolarHBondContact O-N 3.08Å; L85-I183 HydrophobicContact CD1-CD1 4.39Å; L85-I183 HydrophobicContact CD1-CG1 4.45Å; L85-I183 HydrophobicContact CD2-CD1 3.81Å; L85-I183 HydrophobicContact CD2-CG1 4.11Å; L85-I183 HydrophobicContact CG-CD1 4.44Å; L85-I183 HydrophobicContact CG-CG1 4.34Å; I91-I183 HydrophobicContact CD1-CD1 3.65Å; I91-I183 HydrophobicContact CD1-CG1 4.32Å; F94-I183 HydrophobicContact CE1-CD1 3.55Å; F94-I183 HydrophobicContact CZ-CD1 3.89Å; I111-I183 HydrophobicContact CG2-CG2 3.37Å; Q112-I183 CarbonylContact O-C 3.57Å; Q112-I183 VanDerWaalsContact O-CA 3.31Å; Q112-I183 WeakPolarHBondContact O-CA 3.49Å; Q112-I183 WeakPolarHBondContact O-CG2 3.17Å; A113-I183 HydrophobicContact CB-CG1 4.44Å; I183-V198 HydrophobicContact CD1-CB 4.35Å; I183-V198 HydrophobicContact CD1-CG1 3.63Å; I183-V198 HydrophobicContact CD1-CG2 3.79Å
184	R	98.6	Very high	96.6	Very high	6 Å²	6	29 Å²	29	2%	0.023	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	119.7	166.2	177.6	179.1	176.3	-179.6	4.8	108.6	W80 C81 V82 I111 Q112 S148 D149 W151 N186	W80-R184 HydrophobicContact CE3-CG 4.07Å; C81-R184 CarbonylContact O-C 3.5Å; C81-R184 VanDerWaalsContact O-CA 3.28Å; C81-R184 WeakPolarHBondContact O-CA 3.34Å; V82-R184 HydrophobicContact CG2-CB 4.02Å; V82-R184 HydrophobicContact CG2-CG 4.12Å; I111-R184 WeakPolarHBondContact CA-O 3.39Å; Q112-R184 HydrophobicContact CB-CB 4.27Å; Q112-R184 PolarHBondContact N-O 3.09Å; Q112-R184 PolarHBondContact O-N 3.3Å; S148-R184 PolarHBondContact O-NH1 3Å; S148-R184 VanDerWaalsContact O-NH1 3.14Å; S148-R184 PolarHBondContact OG-NH1 2.84Å; D149-R184 VanDerWaalsContact CA-NH1 3.31Å; D149-R184 VanDerWaalsContact CG-NH1 3.29Å; D149-R184 VanDerWaalsContact N-NH1 3.15Å; D149-R184 IonicContact OD1-CZ 3.72Å; D149-R184 IonicContact OD1-NH1 3.8Å; D149-R184 PolarHBondContact OD1-NH1 2.81Å; D149-R184 IonicContact OD1-NH2 3.55Å; D149-R184 PolarHBondContact OD1-NH2 3.32Å; D149-R184 VanDerWaalsContact OD1-NH2 3.14Å; D149-R184 IonicContact OD2-NH1 3.23Å; W151-R184 HydrophobicContact CE3-CB 3.96Å; W151-R184 HydrophobicContact CZ3-CB 4.01Å; R184-N186 PolarHBondContact NE-OD1 3.46Å
185	L	98.9	Very high	96.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	125.3	170.1	170.5	66	0	0	0	107.9	L45 W68 W80 C81 M109 I111 I187 I193 L196	L45-L185 HydrophobicContact CD1-CD2 4Å; L45-L185 HydrophobicContact CD2-CD2 4.48Å; W68-L185 HydrophobicContact CE3-CD2 4.18Å; W68-L185 HydrophobicContact CZ3-CD2 4.04Å; W68-L185 HydrophobicContact CZ3-CG 4.37Å; W80-L185 CarbonylContact C-O 3.57Å; W80-L185 WeakPolarHBondContact CA-O 3.42Å; W80-L185 VanDerWaalsContact CB-O 3.26Å; W80-L185 WeakPolarHBondContact CB-O 3.39Å; C81-L185 PolarHBondContact N-O 3.18Å; C81-L185 PolarHBondContact O-N 3.15Å; M109-L185 HydrophobicContact CB-CD1 4.41Å; M109-L185 HydrophobicContact CE-CD1 3.41Å; M109-L185 VanDerWaalsContact CE-CD1 3.41Å; I111-L185 HydrophobicContact CG1-CD1 4.11Å; L185-I187 HydrophobicContact CG-CG2 4.49Å; L185-I193 HydrophobicContact CD1-CD1 4.29Å; L185-I193 HydrophobicContact CD2-CD1 3.98Å; L185-L196 HydrophobicContact CB-CD2 4.41Å; L185-L196 HydrophobicContact CD2-CD2 4.25Å
186	N	98.8	Very high	97.1	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.011	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	137.7	170.9	-57.2	-83.3	0	0	0	109.2	H78 W80 M109 S110 Q112 R184 F188	H78-N186 PolarHBondContact NE2-OD1 2.89Å; W80-N186 HydrophobicContact CB-CB 4.32Å; W80-N186 VanDerWaalsContact CB-OD1 3.27Å; W80-N186 WeakPolarHBondContact CB-OD1 3.4Å; M109-N186 CarbonylContact C-O 3.52Å; M109-N186 WeakPolarHBondContact CA-O 3.38Å; M109-N186 VanDerWaalsContact CB-O 3.26Å; M109-N186 WeakPolarHBondContact CB-O 3.3Å; S110-N186 PolarHBondContact N-O 2.89Å; S110-N186 PolarHBondContact O-N 2.97Å; S110-N186 WeakPolarHBondContact OG-CB 3.32Å; S110-N186 PolarHBondContact OG-ND2 2.73Å; S110-N186 VanDerWaalsContact OG-ND2 3.11Å; Q112-N186 PolarHBondContact OE1-ND2 3.09Å; R184-N186 PolarHBondContact NE-OD1 3.46Å; N186-F188 HydrophobicContact CB-CD2 4.49Å; N186-F188 HydrophobicContact CB-CE1 4.36Å; N186-F188 HydrophobicContact CB-CE2 3.55Å; N186-F188 HydrophobicContact CB-CZ 3.46Å; N186-F188 VanDerWaalsContact CB-CZ 3.46Å
187	I	98.7	Very high	97.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	138.6	170.5	60.2	172.5	0	0	0	109.5	W68 T70 H78 D79 A106 R108 L185 G191 I193	W68-I187 HydrophobicContact CE3-CD1 4.19Å; W68-I187 HydrophobicContact CH2-CD1 3.83Å; W68-I187 HydrophobicContact CH2-CG1 3.91Å; W68-I187 HydrophobicContact CZ2-CD1 4.37Å; W68-I187 HydrophobicContact CZ3-CD1 3.76Å; W68-I187 HydrophobicContact CZ3-CG1 3.92Å; W68-I187 HydrophobicContact CZ3-CG2 3.97Å; T70-I187 HydrophobicContact CG2-CD1 3.99Å; H78-I187 WeakPolarHBondContact CB-O 3.36Å; D79-I187 HydrophobicContact CB-CD1 3.98Å; D79-I187 HydrophobicContact CB-CG1 3.7Å; D79-I187 PolarHBondContact N-O 3.26Å; D79-I187 WeakPolarHBondContact O-CG1 3.44Å; D79-I187 PolarHBondContact O-N 2.76Å; D79-I187 VanDerWaalsContact O-O 3.06Å; A106-I187 HydrophobicContact CB-CB 3.71Å; A106-I187 HydrophobicContact CB-CG2 3.69Å; R108-I187 WeakPolarHBondContact O-CA 3.38Å; L185-I187 HydrophobicContact CG-CG2 4.49Å; I187-G191 WeakPolarHBondContact CD1-O 3.42Å; I187-I193 HydrophobicContact CG2-CD1 3.41Å; I187-I193 VanDerWaalsContact CG2-CD1 3.41Å; I187-I193 HydrophobicContact CG2-CG1 4.25Å
188	F	98.4	Very high	97.8	Very high	24 Å²	24	15.7 Å²	15.7	11%	0.105	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	122.8	-170.1	-57.1	-89.5	0	0	0	113.2	H78 P107 R108 M157 N186	H78-F188 HydrophobicContact CB-CD1 3.52Å; H78-F188 HydrophobicContact CB-CE1 3.95Å; H78-F188 HydrophobicContact CB-CG 4.32Å; H78-F188 AromaticContact CD2-CD1 3.8Å; H78-F188 AromaticContact CD2-CE1 3.38Å; H78-F188 WeakPolarHBondContact CD2-CE1 3.4Å; H78-F188 AromaticContact CD2-CZ 3.87Å; H78-F188 AromaticContact CE1-CE1 3.69Å; H78-F188 AromaticContact CG-CD1 3.49Å; H78-F188 VanDerWaalsContact CG-CD1 3.49Å; H78-F188 AromaticContact CG-CE1 3.35Å; H78-F188 AromaticContact ND1-CE1 3.56Å; H78-F188 AromaticContact NE2-CE1 3.6Å; H78-F188 AromaticContact NE2-CZ 3.91Å; P107-F188 WeakPolarHBondContact CD-O 3.05Å; R108-F188 HydrophobicContact CB-CB 4.1Å; R108-F188 HydrophobicContact CB-CD2 4.34Å; R108-F188 PolarHBondContact O-N 2.81Å; M157-F188 HydrophobicContact CE-CD1 3.73Å; M157-F188 HydrophobicContact CE-CD2 4.03Å; M157-F188 HydrophobicContact CE-CE1 3.51Å; M157-F188 HydrophobicContact CE-CE2 3.83Å; M157-F188 HydrophobicContact CE-CG 4Å; M157-F188 HydrophobicContact CE-CZ 3.58Å; M157-F188 HydrophobicContact CG-CD2 4.03Å; M157-F188 HydrophobicContact CG-CE2 4.06Å; M157-F188 HydrophobicContact SD-CD2 4.36Å; M157-F188 HydrophobicContact SD-CG 4.41Å; N186-F188 HydrophobicContact CB-CD2 4.49Å; N186-F188 HydrophobicContact CB-CE1 4.36Å; N186-F188 HydrophobicContact CB-CE2 3.55Å; N186-F188 HydrophobicContact CB-CZ 3.46Å; N186-F188 VanDerWaalsContact CB-CZ 3.46Å
189	P	98.1	Very high	97.9	Very high	52 Å²	52	11.3 Å²	11.3	34%	0.338	6%	0.056	S	C	.	.	S	Bend	cis	-77.5	-26	-12.4	29.7	-31.1	0	0	0	113.7	K73 H78 D79	K73-P189 HydrophobicContact CB-CB 4.49Å; K73-P189 VanDerWaalsContact CE-O 3.27Å; K73-P189 WeakPolarHBondContact CE-O 3.22Å; H78-P189 CarbonylContact C-O 3.5Å; H78-P189 VanDerWaalsContact CA-O 3.26Å; H78-P189 WeakPolarHBondContact CA-O 3.17Å; D79-P189 PolarHBondContact N-O 2.75Å
190	D	98.5	Very high	97.9	Very high	29 Å²	29	9 Å²	9	16%	0.155	5%	0.047	C	C	.	.			trans	-162.1	-179.7	-174.6	52.3	89.4	0	0	0	108.9	T70 K73 P107	T70-D190 WeakPolarHBondContact OG1-CB 3.37Å; K73-D190 WeakPolarHBondContact CA-OD2 2.9Å; K73-D190 HydrophobicContact CB-CB 4.01Å; K73-D190 WeakPolarHBondContact CB-OD2 3.47Å; K73-D190 VanDerWaalsContact N-CG 3.29Å; K73-D190 PolarHBondContact N-OD2 3.12Å; P107-D190 WeakPolarHBondContact CD-O 3.4Å
191	G	97.8	Very high	97.8	Very high	7 Å²	7	10.5 Å²	10.5	7%	0.072	6%	0.058	C	C	.	.			trans	131.3	-163.1	173.4	0	0	0	0	0	113	T70 D104 I187	T70-G191 PolarHBondContact N-O 2.82Å; T70-G191 PolarHBondContact OG1-N 3.02Å; D104-G191 CarbonylContact O-C 3.45Å; D104-G191 WeakPolarHBondContact O-CA 3.4Å; I187-G191 WeakPolarHBondContact CD1-O 3.42Å
192	G	98	Very high	97.7	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	144.3	-175.1	0	0	0	0	0	115.8	W68 D104 Y105 A106	W68-G192 CarbonylContact O-C 3.55Å; W68-G192 WeakPolarHBondContact O-CA 3.39Å; D104-G192 PolarHBondContact O-N 2.99Å; Y105-G192 WeakPolarHBondContact CA-O 3.46Å; A106-G192 PolarHBondContact N-O 3.2Å
193	I	98.6	Very high	97.5	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	129.1	166	-67.2	175.7	0	0	0	108.2	L45 G67 W68 V96 V98 A106 L160 L185 I187 R195	L45-I193 HydrophobicContact CD2-CB 3.84Å; L45-I193 HydrophobicContact CD2-CG2 3.54Å; L45-I193 WeakPolarHBondContact CD2-O 3.33Å; G67-I193 CarbonylContact C-O 3.49Å; G67-I193 VanDerWaalsContact CA-O 3.3Å; G67-I193 WeakPolarHBondContact CA-O 3.49Å; W68-I193 PolarHBondContact N-O 2.84Å; W68-I193 PolarHBondContact O-N 2.92Å; V96-I193 HydrophobicContact CG1-CD1 3.83Å; V96-I193 HydrophobicContact CG1-CG1 4.25Å; V96-I193 HydrophobicContact CG1-CG2 3.89Å; V98-I193 HydrophobicContact CG1-CG1 4.5Å; A106-I193 HydrophobicContact CB-CD1 4.35Å; A106-I193 HydrophobicContact CB-CG1 4.15Å; L160-I193 HydrophobicContact CD1-CD1 4.24Å; L160-I193 HydrophobicContact CD1-CG1 4.41Å; L185-I193 HydrophobicContact CD1-CD1 4.29Å; L185-I193 HydrophobicContact CD2-CD1 3.98Å; I187-I193 HydrophobicContact CG2-CD1 3.41Å; I187-I193 VanDerWaalsContact CG2-CD1 3.41Å; I187-I193 HydrophobicContact CG2-CG1 4.25Å; I193-R195 WeakPolarHBondContact CG2-O 3.29Å
194	A	98.2	Very high	97.1	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.081	C	C	.	.	S	Bend	trans	-76.5	-50.2	-177.3	0	0	0	0	0	112.5	P51 D97 S99 F101	P51-A194 HydrophobicContact CB-CB 3.8Å; P51-A194 HydrophobicContact CG-CB 3.85Å; D97-A194 WeakPolarHBondContact O-CA 3.28Å; D97-A194 VanDerWaalsContact O-CB 3.28Å; D97-A194 WeakPolarHBondContact O-CB 3.48Å; D97-A194 PolarHBondContact O-N 2.63Å; S99-A194 WeakPolarHBondContact O-CB 3.47Å; F101-A194 HydrophobicContact CD2-CB 4.11Å; F101-A194 HydrophobicContact CE2-CB 3.88Å
195	R	98.3	Very high	96.6	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.008	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	150.3	177	-62.6	-67.3	-178.2	-91.3	0.3	111.3	N44 L45 D49 S50 P51 D66 D97 I193	N44-R195 WeakPolarHBondContact O-CD 3.26Å; N44-R195 PolarHBondContact O-NH1 2.71Å; N44-R195 VanDerWaalsContact O-NH1 3.13Å; L45-R195 WeakPolarHBondContact O-CA 3.18Å; D49-R195 PolarHBondContact O-NE 3.36Å; D49-R195 PolarHBondContact O-NH2 3.01Å; S50-R195 PolarHBondContact O-NH2 2.62Å; P51-R195 HydrophobicContact CG-CG 4.34Å; D66-R195 VanDerWaalsContact CG-NH2 3.27Å; D66-R195 PolarHBondContact O-NH1 3.46Å; D66-R195 IonicContact OD1-CZ 2.76Å; D66-R195 IonicContact OD1-NH1 3.63Å; D66-R195 PolarHBondContact OD1-NH1 2.88Å; D66-R195 IonicContact OD1-NH2 3.78Å; D66-R195 PolarHBondContact OD1-NH2 2.85Å; D66-R195 IonicContact OD2-CZ 3.59Å; D66-R195 IonicContact OD2-NH1 2.53Å; D66-R195 IonicContact OD2-NH2 2.88Å; D66-R195 PolarHBondContact OD2-NH2 2.74Å; D97-R195 HydrophobicContact CB-CB 3.99Å; D97-R195 PolarHBondContact N-O 3.31Å; D97-R195 PolarHBondContact O-N 3.5Å; I193-R195 WeakPolarHBondContact CG2-O 3.29Å
196	L	98.6	Very high	96	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	109.7	164.9	176.6	68	0	0	0	108.2	L45 L83 F94 V96 I111 L185 V198	L45-L196 HydrophobicContact CB-CB 4.25Å; L45-L196 HydrophobicContact CD2-CB 4.42Å; L45-L196 PolarHBondContact O-N 3.08Å; L83-L196 HydrophobicContact CD2-CD2 3.72Å; F94-L196 HydrophobicContact CD1-CD1 4.21Å; V96-L196 HydrophobicContact CG2-CD1 3.92Å; I111-L196 HydrophobicContact CD1-CD1 3.96Å; L185-L196 HydrophobicContact CB-CD2 4.41Å; L185-L196 HydrophobicContact CD2-CD2 4.25Å; L196-V198 HydrophobicContact CD2-CG2 4.41Å; L196-V198 HydrophobicContact CG-CG2 4.24Å
197	R	97.9	Very high	95.2	Very high	35 Å²	35	26.6 Å²	26.6	13%	0.132	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	133.5	169.8	-47	-65	178.9	-167.8	-5	109.6	D21 K47 S48 D49 F94 D95 L199	D21-R197 WeakPolarHBondContact OD2-CD 3.28Å; D21-R197 IonicContact OD2-CZ 3.86Å; D21-R197 IonicContact OD2-NE 3.88Å; D21-R197 IonicContact OD2-NH1 2.96Å; D21-R197 PolarHBondContact OD2-NH1 3.09Å; K47-R197 PolarHBondContact O-NH1 3.27Å; K47-R197 PolarHBondContact O-NH2 3Å; S48-R197 PolarHBondContact O-NH2 3.34Å; D49-R197 PolarHBondContact O-NH2 3.11Å; F94-R197 WeakPolarHBondContact CA-O 3.31Å; D95-R197 HydrophobicContact CB-CB 3.93Å; D95-R197 HydrophobicContact CB-CG 4.05Å; D95-R197 PolarHBondContact N-O 3.44Å; D95-R197 PolarHBondContact O-N 3.28Å; R197-L199 HydrophobicContact CB-CD2 4Å; R197-L199 HydrophobicContact CB-CG 4.23Å
198	V	97.9	Very high	94.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	92.7	176.9	-177.7	0	0	0	0	107.9	T20 D21 M22 A23 L85 I91 F94 I183 L196	T20-V198 VanDerWaalsContact O-O 3.13Å; D21-V198 CarbonylContact C-O 3.53Å; D21-V198 WeakPolarHBondContact CA-O 3.46Å; D21-V198 PolarHBondContact OD1-N 3.35Å; M22-V198 HydrophobicContact CB-CG1 4.37Å; M22-V198 HydrophobicContact CE-CG1 3.93Å; M22-V198 PolarHBondContact N-O 2.92Å; A23-V198 HydrophobicContact CB-CB 3.74Å; A23-V198 HydrophobicContact CB-CG2 3.37Å; L85-V198 HydrophobicContact CD2-CB 4.19Å; L85-V198 HydrophobicContact CD2-CG1 3.93Å; L85-V198 HydrophobicContact CD2-CG2 4.24Å; I91-V198 HydrophobicContact CD1-CG1 4.02Å; I91-V198 HydrophobicContact CG1-CG1 3.86Å; I91-V198 HydrophobicContact CG2-CG1 4.11Å; F94-V198 HydrophobicContact CD1-CB 4.37Å; F94-V198 HydrophobicContact CD1-CG1 4.32Å; F94-V198 HydrophobicContact CD1-CG2 3.92Å; F94-V198 HydrophobicContact CE1-CB 4.2Å; F94-V198 HydrophobicContact CE1-CG1 3.77Å; F94-V198 HydrophobicContact CE1-CG2 3.75Å; I183-V198 HydrophobicContact CD1-CB 4.35Å; I183-V198 HydrophobicContact CD1-CG1 3.63Å; I183-V198 HydrophobicContact CD1-CG2 3.79Å; L196-V198 HydrophobicContact CD2-CG2 4.41Å; L196-V198 HydrophobicContact CG-CG2 4.24Å
199	L	96.8	Very high	93.2	Very high	23 Å²	23	30.3 Å²	30.3	12%	0.12	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	120.8	-169.9	-55.9	177.6	0	0	0	110.1	F16 L19 T20 D21 R92 A93 R197	F16-L199 HydrophobicContact CD1-CD1 3.81Å; F16-L199 HydrophobicContact CE1-CD1 4.44Å; L19-L199 HydrophobicContact CB-CB 4.05Å; L19-L199 HydrophobicContact CD1-CB 3.98Å; T20-L199 WeakPolarHBondContact O-CA 3.43Å; D21-L199 HydrophobicContact CB-CD2 4.39Å; R92-L199 PolarHBondContact N-O 3.17Å; A93-L199 HydrophobicContact CB-CB 4.4Å; A93-L199 PolarHBondContact N-O 2.83Å; A93-L199 PolarHBondContact O-N 3.01Å; R197-L199 HydrophobicContact CB-CD2 4Å; R197-L199 HydrophobicContact CB-CG 4.23Å
200	G	95.2	Very high	92.4	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	-165.3	-178.8	0	0	0	0	0	114.7	T20 V90	T20-G200 PolarHBondContact N-O 2.96Å; T20-G200 PolarHBondContact O-N 2.87Å; V90-G200 VanDerWaalsContact O-CA 3.22Å; V90-G200 WeakPolarHBondContact O-CA 3.36Å
201	T	94.1	Very high	91.2	Very high	40 Å²	40	35.2 Å²	35.2	25%	0.245	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	129.1	179.1	55.6	0	0	0	0	109.6	L14 L19 G89 V90	L14-T201 HydrophobicContact CD1-CG2 3.81Å; L19-T201 HydrophobicContact CD2-CG2 4Å; G89-T201 CarbonylContact C-O 3.53Å; G89-T201 VanDerWaalsContact CA-O 3.31Å; G89-T201 WeakPolarHBondContact CA-O 3.44Å; V90-T201 PolarHBondContact N-O 2.86Å; V90-T201 PolarHBondContact O-N 2.86Å
202	G	94.9	Very high	90.3	Very high	6 Å²	6	43 Å²	43	6%	0.062	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	146.5	175.1	0	0	0	0	0	112.2	I87 A221 G223	I87-G202 VanDerWaalsContact CG2-CA 3.49Å; G202-A221 WeakPolarHBondContact CA-O 3.09Å; G202-G223 WeakPolarHBondContact O-CA 3.11Å; G202-G223 PolarHBondContact O-N 2.85Å
203	Q	93.3	Very high	89.6	Confident	62 Å²	62	46.9 Å²	46.9	29%	0.29	26%	0.255	S	S	.	.			trans	-148.7	112.5	176.7	-172.5	177.4	72.1	0	0	109.5	Q88 R179	Q88-Q203 PolarHBondContact O-N 2.86Å; R179-Q203 PolarHBondContact NE-O 3.14Å
204	K	90.4	Very high	89	Confident	32 Å²	32	50.1 Å²	50.1	14%	0.139	27%	0.27	C	S	.	.			trans	-80.5	140.9	168.5	-178	158.6	177	153.6	0	110	W206 T209 E213 F222	K204-W206 HydrophobicContact CB-CD2 4.28Å; K204-W206 HydrophobicContact CB-CZ2 3.96Å; K204-W206 HydrophobicContact CD-CE3 4.23Å; K204-W206 HydrophobicContact CD-CH2 4.01Å; K204-W206 HydrophobicContact CD-CZ2 4.27Å; K204-W206 HydrophobicContact CD-CZ3 3.98Å; K204-W206 HydrophobicContact CG-CD2 4.18Å; K204-W206 HydrophobicContact CG-CE3 4.35Å; K204-W206 HydrophobicContact CG-CZ2 4.37Å; K204-W206 PolarHBondContact O-N 3.05Å; K204-T209 WeakPolarHBondContact CE-OG1 3.32Å; K204-E213 IonicContact NZ-OE1 3.52Å; K204-E213 PolarHBondContact NZ-OE1 2.84Å; K204-F222 HydrophobicContact CB-CB 3.83Å; K204-F222 HydrophobicContact CB-CD1 3.78Å; K204-F222 HydrophobicContact CB-CG 3.9Å; K204-F222 HydrophobicContact CD-CD1 3.77Å; K204-F222 HydrophobicContact CD-CD2 4.06Å; K204-F222 HydrophobicContact CD-CE1 3.84Å; K204-F222 HydrophobicContact CD-CE2 4.12Å; K204-F222 HydrophobicContact CD-CG 3.9Å; K204-F222 HydrophobicContact CD-CZ 4.02Å; K204-F222 HydrophobicContact CG-CD1 4.28Å; K204-F222 PolarHBondContact N-O 2.92Å
205	D	87.3	Confident	88.8	Confident	69 Å²	69	50.3 Å²	50.3	37%	0.369	27%	0.272	S	S	.	.			trans	-80.2	92.5	167.3	-173.7	-6.9	0	0	0	109.4	T207 A208 T209	D205-T207 PolarHBondContact O-N 3.22Å; D205-T207 WeakPolarHBondContact OD1-CB 3.31Å; D205-T207 PolarHBondContact OD1-N 3.26Å; D205-T207 PolarHBondContact OD1-OG1 2.95Å; D205-A208 HydrophobicContact CB-CB 4.3Å; D205-A208 PolarHBondContact O-N 3.38Å; D205-A208 PolarHBondContact OD1-N 3.05Å; D205-T209 PolarHBondContact O-N 3.02Å; D205-T209 PolarHBondContact O-OG1 3.09Å
206	W	86.4	Confident	88.7	Confident	46 Å²	46	51.2 Å²	51.2	17%	0.174	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-14.1	179.1	-59.9	102.8	0	0	0	113.3	K204 A215 L217 F222 A286 H287 P386	K204-W206 HydrophobicContact CB-CD2 4.28Å; K204-W206 HydrophobicContact CB-CZ2 3.96Å; K204-W206 HydrophobicContact CD-CE3 4.23Å; K204-W206 HydrophobicContact CD-CH2 4.01Å; K204-W206 HydrophobicContact CD-CZ2 4.27Å; K204-W206 HydrophobicContact CD-CZ3 3.98Å; K204-W206 HydrophobicContact CG-CD2 4.18Å; K204-W206 HydrophobicContact CG-CE3 4.35Å; K204-W206 HydrophobicContact CG-CZ2 4.37Å; K204-W206 PolarHBondContact O-N 3.05Å; W206-A215 HydrophobicContact CH2-CB 4.24Å; W206-A215 HydrophobicContact CZ3-CB 4.03Å; W206-L217 HydrophobicContact CH2-CD2 3.81Å; W206-L217 HydrophobicContact CZ3-CD2 4.08Å; W206-F222 HydrophobicContact CH2-CB 4.38Å; W206-F222 HydrophobicContact CH2-CD2 4.12Å; W206-F222 HydrophobicContact CZ2-CB 3.85Å; W206-F222 HydrophobicContact CZ2-CD2 4.43Å; W206-F222 HydrophobicContact CZ2-CG 4.41Å; W206-A286 HydrophobicContact CZ2-CB 3.78Å; W206-H287 AromaticContact CD1-CD2 3.43Å; W206-H287 VanDerWaalsContact CD1-CD2 3.43Å; W206-H287 HydrophobicContact CD2-CB 3.86Å; W206-H287 AromaticContact CD2-CD2 3.69Å; W206-H287 AromaticContact CD2-CG 3.92Å; W206-H287 AromaticContact CE2-CD2 3.96Å; W206-H287 HydrophobicContact CE3-CB 4.28Å; W206-H287 HydrophobicContact CG-CB 4.4Å; W206-H287 AromaticContact CG-CD2 3.34Å; W206-H287 HydrophobicContact CH2-CB 4.07Å; W206-H287 HydrophobicContact CZ2-CB 3.63Å; W206-H287 HydrophobicContact CZ3-CB 4.37Å; W206-H287 AromaticContact NE1-CD2 3.76Å; W206-P386 HydrophobicContact CE3-CB 3.93Å; W206-P386 HydrophobicContact CE3-CG 4.07Å; W206-P386 HydrophobicContact CZ3-CB 4.01Å; W206-P386 HydrophobicContact CZ3-CG 4.09Å
207	T	82.3	Confident	88.5	Confident	132 Å²	132	51.2 Å²	51.2	81%	0.81	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-27.3	177.9	67.8	0	0	0	0	112.7	D205	D205-T207 PolarHBondContact O-N 3.22Å; D205-T207 WeakPolarHBondContact OD1-CB 3.31Å; D205-T207 PolarHBondContact OD1-N 3.26Å; D205-T207 PolarHBondContact OD1-OG1 2.95Å
208	A	78.8	Confident	88.5	Confident	82 Å²	82	49.6 Å²	49.6	68%	0.678	27%	0.271	S	S	*	.	S	Bend	trans	-88.4	-6.2	174.6	0	0	0	0	0	113.4	D205	D205-A208 HydrophobicContact CB-CB 4.3Å; D205-A208 PolarHBondContact O-N 3.38Å; D205-A208 PolarHBondContact OD1-N 3.05Å
209	T	76.8	Confident	88.5	Confident	19 Å²	19	50.1 Å²	50.1	12%	0.117	28%	0.275	C	S	.	.	S	Bend	trans	-85	138.4	-177.2	-54.9	0	0	0	0	110.6	K204 D205 P211 E213	K204-T209 WeakPolarHBondContact CE-OG1 3.32Å; D205-T209 PolarHBondContact O-N 3.02Å; D205-T209 PolarHBondContact O-OG1 3.09Å; T209-P211 WeakPolarHBondContact O-CD 3.38Å; T209-E213 HydrophobicContact CG2-CB 4.08Å; T209-E213 WeakPolarHBondContact CG2-OE2 3.33Å
210	D	80.6	Confident	88.4	Confident	89 Å²	89	49.8 Å²	49.8	48%	0.476	27%	0.274	S	S	.	.			trans	-63.1	123.5	170.4	-178.2	-9.2	0	0	0	108.9	K212 E213	D210-K212 PolarHBondContact O-N 2.86Å; D210-K212 WeakPolarHBondContact OD1-CB 3.29Å; D210-K212 PolarHBondContact OD1-N 3.03Å; D210-E213 HydrophobicContact CB-CB 4.26Å; D210-E213 WeakPolarHBondContact O-CB 3.43Å; D210-E213 PolarHBondContact O-N 2.85Å
211	P	74.1	Confident	88.4	Confident	95 Å²	95	50.8 Å²	50.8	62%	0.617	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-18.4	176.6	-25	34.4	0	0	0	114.3	T209	T209-P211 WeakPolarHBondContact O-CD 3.38Å
212	K	78	Confident	88.4	Confident	170 Å²	170	51.7 Å²	51.7	74%	0.739	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-5.7	174.7	-58.4	176.1	-176.3	173.8	0	113.1	D210 H214 F385	D210-K212 PolarHBondContact O-N 2.86Å; D210-K212 WeakPolarHBondContact OD1-CB 3.29Å; D210-K212 PolarHBondContact OD1-N 3.03Å; K212-H214 PolarHBondContact O-N 2.8Å; K212-F385 WeakPolarHBondContact O-CE1 3.38Å
213	E	83.6	Confident	88.4	Confident	83 Å²	83	52.3 Å²	52.3	39%	0.388	29%	0.288	S	S	.	.	S	Bend	trans	-71.6	125.5	175.9	-167.5	-173.1	134	0	0	109.6	K204 T209 D210 A215	K204-E213 IonicContact NZ-OE1 3.52Å; K204-E213 PolarHBondContact NZ-OE1 2.84Å; T209-E213 HydrophobicContact CG2-CB 4.08Å; T209-E213 WeakPolarHBondContact CG2-OE2 3.33Å; D210-E213 HydrophobicContact CB-CB 4.26Å; D210-E213 WeakPolarHBondContact O-CB 3.43Å; D210-E213 PolarHBondContact O-N 2.85Å; E213-A215 PolarHBondContact O-N 2.9Å
214	H	86.3	Confident	88.5	Confident	67 Å²	67	49.4 Å²	49.4	31%	0.31	28%	0.276	S	S	.	.			trans	-77.2	116.6	173.8	-163.9	-118	0	0	0	109	K212 T292 R383 G384	K212-H214 PolarHBondContact O-N 2.8Å; H214-T292 PolarHBondContact NE2-OG1 3.18Å; H214-R383 WeakPolarHBondContact CE1-CB 3.46Å; H214-G384 PolarHBondContact NE2-N 2.89Å
215	A	92.6	Very high	88.7	Confident	5 Å²	5	49 Å²	49	4%	0.041	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	147.6	-175.9	0	0	0	0	0	111.5	W206 E213 L217 R383 G384	W206-A215 HydrophobicContact CH2-CB 4.24Å; W206-A215 HydrophobicContact CZ3-CB 4.03Å; E213-A215 PolarHBondContact O-N 2.9Å; A215-L217 HydrophobicContact CB-CD2 4.11Å; A215-L217 PolarHBondContact O-N 2.97Å; A215-R383 CarbonylContact O-C 3.59Å; A215-R383 VanDerWaalsContact O-CA 3.28Å; A215-R383 WeakPolarHBondContact O-CA 3.49Å; A215-G384 PolarHBondContact N-O 2.92Å; A215-G384 PolarHBondContact O-N 2.82Å
216	D	96.1	Very high	89	Confident	21 Å²	21	46.2 Å²	46.2	11%	0.112	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	99.1	167.4	-177.3	15.8	0	0	0	110.1	V218 A219 F222 R381 L382 R383	D216-V218 PolarHBondContact O-N 2.7Å; D216-V218 WeakPolarHBondContact OD1-CG1 3.36Å; D216-V218 PolarHBondContact OD1-N 3.17Å; D216-A219 HydrophobicContact CB-CB 4.07Å; D216-A219 WeakPolarHBondContact O-CB 3.39Å; D216-A219 PolarHBondContact O-N 2.71Å; D216-F222 WeakPolarHBondContact O-CD2 3.21Å; D216-R381 WeakPolarHBondContact OD2-CD 3.46Å; D216-R381 IonicContact OD2-NE 2.91Å; D216-R381 IonicContact OD2-NH1 3.91Å; D216-L382 PolarHBondContact OD1-N 3.25Å; D216-R383 HydrophobicContact CB-CG 4.25Å
217	L	95.9	Very high	89.4	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-12.5	-171.8	-59.3	-174.1	0	0	0	113	W206 A215 L285 A286 I291 L382 P386	W206-L217 HydrophobicContact CH2-CD2 3.81Å; W206-L217 HydrophobicContact CZ3-CD2 4.08Å; A215-L217 HydrophobicContact CB-CD2 4.11Å; A215-L217 PolarHBondContact O-N 2.97Å; L217-L285 HydrophobicContact CB-CB 4.44Å; L217-L285 HydrophobicContact CB-CD1 4.05Å; L217-L285 HydrophobicContact CD1-CD1 4.45Å; L217-L285 CarbonylContact O-C 3.52Å; L217-L285 VanDerWaalsContact O-CA 3.3Å; L217-L285 WeakPolarHBondContact O-CA 3.04Å; L217-L285 WeakPolarHBondContact O-CB 3.28Å; L217-A286 WeakPolarHBondContact O-CB 3.38Å; L217-A286 PolarHBondContact O-N 3.1Å; L217-I291 HydrophobicContact CB-CD1 4.31Å; L217-I291 HydrophobicContact CD1-CD1 3.93Å; L217-I291 HydrophobicContact CG-CD1 4.43Å; L217-L382 PolarHBondContact N-O 3.22Å; L217-P386 HydrophobicContact CD2-CB 4.29Å
218	V	97.6	Very high	89.9	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-6	176.1	80.8	0	0	0	0	112.9	D216 I220 I241 F283 L285 L380 L382	D216-V218 PolarHBondContact O-N 2.7Å; D216-V218 WeakPolarHBondContact OD1-CG1 3.36Å; D216-V218 PolarHBondContact OD1-N 3.17Å; V218-I220 PolarHBondContact O-N 3.22Å; V218-I241 HydrophobicContact CB-CG2 4.36Å; V218-I241 HydrophobicContact CG1-CB 4.47Å; V218-I241 HydrophobicContact CG1-CG2 3.81Å; V218-I241 HydrophobicContact CG2-CG2 3.76Å; V218-I241 WeakPolarHBondContact O-CB 3.33Å; V218-F283 HydrophobicContact CG2-CB 3.49Å; V218-F283 VanDerWaalsContact CG2-CB 3.49Å; V218-F283 HydrophobicContact CG2-CD1 4.39Å; V218-F283 HydrophobicContact CG2-CG 3.96Å; V218-L285 HydrophobicContact CB-CD2 3.81Å; V218-L285 HydrophobicContact CG2-CD2 3.9Å; V218-L380 HydrophobicContact CG1-CG 4.35Å; V218-L382 HydrophobicContact CB-CB 4.09Å; V218-L382 HydrophobicContact CB-CD1 4Å; V218-L382 HydrophobicContact CB-CG 4.13Å; V218-L382 HydrophobicContact CG1-CB 4.01Å; V218-L382 HydrophobicContact CG1-CD1 4.29Å; V218-L382 HydrophobicContact CG1-CG 3.93Å; V218-L382 HydrophobicContact CG2-CD1 4.22Å
219	A	96.8	Very high	90.7	Very high	11 Å²	11	36.8 Å²	36.8	9%	0.091	20%	0.2	C	C	.	.			trans	-57.7	131.7	-174.2	0	0	0	0	0	112.6	D216 A221 F222 G223 G224	D216-A219 HydrophobicContact CB-CB 4.07Å; D216-A219 WeakPolarHBondContact O-CB 3.39Å; D216-A219 PolarHBondContact O-N 2.71Å; A219-A221 PolarHBondContact O-N 3.34Å; A219-F222 HydrophobicContact CB-CD2 3.91Å; A219-F222 HydrophobicContact CB-CE2 4.35Å; A219-F222 HydrophobicContact CB-CG 4.26Å; A219-F222 PolarHBondContact O-N 2.92Å; A219-G223 PolarHBondContact O-N 2.89Å; A219-G224 PolarHBondContact O-N 2.9Å
220	I	95	Very high	91.6	Very high	17 Å²	17	38 Å²	38	9%	0.087	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-61.3	-33.2	177.8	-158.5	165.7	0	0	0	112	T20 I87 V218 F222 G223 G224 N238 I241 V243	T20-I220 VanDerWaalsContact OG1-CD1 3.29Å; T20-I220 WeakPolarHBondContact OG1-CD1 3.37Å; I87-I220 HydrophobicContact CD1-CG2 4.38Å; V218-I220 PolarHBondContact O-N 3.22Å; I220-F222 PolarHBondContact O-N 3.04Å; I220-G223 PolarHBondContact O-N 2.86Å; I220-G223 VanDerWaalsContact O-N 3.11Å; I220-G224 WeakPolarHBondContact CA-O 3.47Å; I220-N238 HydrophobicContact CD1-CB 4.08Å; I220-I241 HydrophobicContact CB-CD1 4.11Å; I220-I241 HydrophobicContact CB-CG1 4.14Å; I220-I241 WeakPolarHBondContact CB-O 3.34Å; I220-I241 HydrophobicContact CG1-CD1 4.41Å; I220-I241 WeakPolarHBondContact CG2-O 3.13Å; I220-I241 PolarHBondContact N-O 3Å; I220-V243 HydrophobicContact CG2-CG2 4.44Å
221	A	95.3	Very high	92.1	Very high	21 Å²	21	35 Å²	35	17%	0.174	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-61.2	-27.6	177.3	0	0	0	0	0	113	I87 G202 A219 V243	I87-A221 HydrophobicContact CD1-CB 4.41Å; I87-A221 HydrophobicContact CG1-CB 3.99Å; I87-A221 HydrophobicContact CG2-CB 4.38Å; G202-A221 WeakPolarHBondContact CA-O 3.09Å; A219-A221 PolarHBondContact O-N 3.34Å; A221-V243 HydrophobicContact CB-CG2 3.92Å
222	F	94.9	Very high	92.9	Very high	59 Å²	59	31.1 Å²	31.1	26%	0.259	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-96.6	-8.1	179.9	-57.4	-21.7	0	0	0	113	K204 W206 D216 A219 I220 A286	K204-F222 HydrophobicContact CB-CB 3.83Å; K204-F222 HydrophobicContact CB-CD1 3.78Å; K204-F222 HydrophobicContact CB-CG 3.9Å; K204-F222 HydrophobicContact CD-CD1 3.77Å; K204-F222 HydrophobicContact CD-CD2 4.06Å; K204-F222 HydrophobicContact CD-CE1 3.84Å; K204-F222 HydrophobicContact CD-CE2 4.12Å; K204-F222 HydrophobicContact CD-CG 3.9Å; K204-F222 HydrophobicContact CD-CZ 4.02Å; K204-F222 HydrophobicContact CG-CD1 4.28Å; K204-F222 PolarHBondContact N-O 2.92Å; W206-F222 HydrophobicContact CH2-CB 4.38Å; W206-F222 HydrophobicContact CH2-CD2 4.12Å; W206-F222 HydrophobicContact CZ2-CB 3.85Å; W206-F222 HydrophobicContact CZ2-CD2 4.43Å; W206-F222 HydrophobicContact CZ2-CG 4.41Å; D216-F222 WeakPolarHBondContact O-CD2 3.21Å; A219-F222 HydrophobicContact CB-CD2 3.91Å; A219-F222 HydrophobicContact CB-CE2 4.35Å; A219-F222 HydrophobicContact CB-CG 4.26Å; A219-F222 PolarHBondContact O-N 2.92Å; I220-F222 PolarHBondContact O-N 3.04Å; F222-A286 HydrophobicContact CB-CB 3.62Å; F222-A286 WeakPolarHBondContact O-CB 3.26Å
223	G	94	Very high	93.4	Very high	18 Å²	18	28.5 Å²	28.5	19%	0.186	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	111.8	10.9	179.7	0	0	0	0	0	115	G202 A219 I220	G202-G223 WeakPolarHBondContact O-CA 3.11Å; G202-G223 PolarHBondContact O-N 2.85Å; A219-G223 PolarHBondContact O-N 2.89Å; I220-G223 PolarHBondContact O-N 2.86Å; I220-G223 VanDerWaalsContact O-N 3.11Å
224	G	95.4	Very high	93.6	Very high	2 Å²	2	29.8 Å²	29.8	2%	0.021	16%	0.164	C	C	.	.			trans	-66.1	146.6	169.7	0	0	0	0	0	110.6	A219 I220 I241 R284	A219-G224 PolarHBondContact O-N 2.9Å; I220-G224 WeakPolarHBondContact CA-O 3.47Å; G224-I241 WeakPolarHBondContact O-CD1 3.5Å; G224-R284 WeakPolarHBondContact CA-O 3.47Å
225	V	94.6	Very high	93.7	Very high	22 Å²	22	27.9 Å²	27.9	13%	0.133	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	141.2	-174.3	60	0	0	0	0	111.5	V227 F283 R284	V225-V227 HydrophobicContact CG1-CG1 4.02Å; V225-V227 PolarHBondContact O-N 3.03Å; V225-F283 CarbonylContact O-C 3.59Å; V225-F283 VanDerWaalsContact O-CA 3.27Å; V225-F283 WeakPolarHBondContact O-CA 3.4Å; V225-R284 HydrophobicContact CG1-CB 4.2Å; V225-R284 VanDerWaalsContact CG1-NH2 3.25Å; V225-R284 PolarHBondContact N-O 3.2Å; V225-R284 VanDerWaalsContact N-O 3.08Å; V225-R284 PolarHBondContact O-N 3.39Å
226	C	95.1	Very high	93.8	Very high	11 Å²	11	29 Å²	29	7%	0.074	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	124.4	168.4	-176.1	0	0	0	0	110.2	G228 P237 N238 V282 F283	C226-G228 PolarHBondContact SG-O 2.89Å; C226-G228 VanDerWaalsContact SG-O 3.35Å; C226-P237 HydrophobicContact CB-CB 4.1Å; C226-N238 WeakPolarHBondContact CB-OD1 3.25Å; C226-N238 PolarHBondContact N-OD1 2.84Å; C226-V282 CarbonylContact C-O 3.41Å; C226-V282 WeakPolarHBondContact CA-O 3.47Å; C226-F283 HydrophobicContact CB-CD1 3.9Å; C226-F283 HydrophobicContact CB-CE1 3.81Å
227	V	93.8	Very high	93.7	Very high	24 Å²	24	28 Å²	28	15%	0.145	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	-1.8	-177.4	-69	0	0	0	0	112.6	V225 V282 R284 W329	V225-V227 HydrophobicContact CG1-CG1 4.02Å; V225-V227 PolarHBondContact O-N 3.03Å; V227-V282 HydrophobicContact CG2-CB 4.26Å; V227-V282 HydrophobicContact CG2-CG1 3.95Å; V227-V282 WeakPolarHBondContact CG2-O 3.28Å; V227-V282 PolarHBondContact N-O 3.33Å; V227-R284 HydrophobicContact CG1-CB 3.98Å; V227-R284 HydrophobicContact CG2-CB 4.43Å; V227-W329 HydrophobicContact CB-CZ2 3.77Å; V227-W329 HydrophobicContact CG2-CH2 3.65Å; V227-W329 HydrophobicContact CG2-CZ2 3.21Å; V227-W329 PolarHBondContact O-NE1 2.82Å
228	G	93.8	Very high	93.7	Very high	11 Å²	11	28.6 Å²	28.6	11%	0.113	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.2	154.5	170.3	0	0	0	0	0	112.3	C226 W280 A281 V282	C226-G228 PolarHBondContact SG-O 2.89Å; C226-G228 VanDerWaalsContact SG-O 3.35Å; G228-W280 VanDerWaalsContact C-CZ3 3.49Å; G228-A281 CarbonylContact O-C 3.4Å; G228-A281 WeakPolarHBondContact O-CA 3.35Å; G228-V282 PolarHBondContact N-O 3.3Å; G228-V282 PolarHBondContact O-N 3.3Å
229	F	95.3	Very high	93.5	Very high	27 Å²	27	30.8 Å²	30.8	12%	0.118	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	157.8	179.5	53.9	-93.9	0	0	0	111.5	A232 H236 P237 W280 A281	F229-A232 HydrophobicContact CD2-CB 3.91Å; F229-A232 HydrophobicContact CE2-CB 3.51Å; F229-A232 HydrophobicContact CZ-CB 4.01Å; F229-H236 AromaticContact CE1-NE2 3.42Å; F229-H236 WeakPolarHBondContact CE1-NE2 3.28Å; F229-P237 HydrophobicContact CB-CG 3.68Å; F229-P237 HydrophobicContact CD1-CG 3.99Å; F229-P237 HydrophobicContact CG-CG 3.84Å; F229-W280 CarbonylContact C-O 3.52Å; F229-W280 VanDerWaalsContact CA-CZ3 3.5Å; F229-W280 WeakPolarHBondContact CA-O 3.4Å; F229-W280 VanDerWaalsContact N-CZ3 3.35Å; F229-A281 HydrophobicContact CB-CB 4.17Å
230	S	94.4	Very high	93.5	Very high	45 Å²	45	30.2 Å²	30.2	32%	0.315	17%	0.172	S	C	.	.	S	Bend	trans	-79.1	-38	175.6	58.2	0	0	0	0	113.2	E279 W280	S230-E279 VanDerWaalsContact CB-OE2 3.26Å; S230-E279 WeakPolarHBondContact CB-OE2 3.12Å; S230-E279 VanDerWaalsContact OG-CA 3.28Å; S230-E279 WeakPolarHBondContact OG-CA 3.42Å; S230-E279 WeakPolarHBondContact OG-CB 3.48Å; S230-E279 PolarHBondContact OG-OE2 3.08Å; S230-W280 PolarHBondContact N-O 2.9Å; S230-W280 PolarHBondContact OG-N 3.23Å; S230-W280 PolarHBondContact OG-O 2.8Å
231	S	92.3	Very high	93.7	Very high	26 Å²	26	29.4 Å²	29.4	18%	0.182	17%	0.168	C	C	.	.			trans	-153.7	141.6	-174.8	-174.5	0	0	0	0	110.9	W253 E279	S231-W253 PolarHBondContact O-NE1 3.5Å; S231-E279 WeakPolarHBondContact CB-OE2 3.39Å
232	A	90	Very high	93.6	Very high	13 Å²	13	29 Å²	29	11%	0.107	17%	0.166	C	C	.	.			trans	-135.5	47.3	172.2	0	0	0	0	0	109.4	P5 F229	P5-A232 HydrophobicContact CG-CB 4.46Å; F229-A232 HydrophobicContact CD2-CB 3.91Å; F229-A232 HydrophobicContact CE2-CB 3.51Å; F229-A232 HydrophobicContact CZ-CB 4.01Å
233	K	88.9	Confident	93.5	Very high	116 Å²	116	28.8 Å²	28.8	50%	0.504	17%	0.169	S	C	.	.	S	Bend	trans	-65	-41.8	-173.9	-176.3	65.6	179.2	-179.5	0	111.8	A256	K233-A256 HydrophobicContact CB-CB 4.25Å; K233-A256 HydrophobicContact CG-CB 4.16Å
234	F	88.5	Confident	93.4	Very high	109 Å²	109	30.1 Å²	30.1	48%	0.478	18%	0.184	S	C	.	.	B	Isolated β-bridge	trans	-132.8	92.3	-177.9	-57.5	-68.7	0	0	0	108.8	E254	F234-E254 CarbonylContact C-O 3.47Å; F234-E254 HydrophobicContact CB-CB 3.85Å; F234-E254 HydrophobicContact CB-CG 4.02Å; F234-E254 HydrophobicContact CD2-CG 4.14Å; F234-E254 PolarHBondContact N-O 3.43Å; F234-E254 CarbonylContact O-C 3.54Å; F234-E254 WeakPolarHBondContact O-CA 3.11Å; F234-E254 WeakPolarHBondContact O-CB 3.03Å; F234-E254 PolarHBondContact O-N 2.82Å; F234-E254 VanDerWaalsContact O-O 3.06Å
235	G	88.6	Confident	93.3	Very high	27 Å²	27	32.7 Å²	32.7	28%	0.278	21%	0.21	S	C	.	.	S	Bend	trans	86.3	143.6	-175.1	0	0	0	0	0	113.1
236	H	93.3	Very high	93.2	Very high	30 Å²	30	32.1 Å²	32.1	14%	0.139	21%	0.208	C	C	.	.			trans	-88	145.7	-179.3	-172.2	-94.6	0	0	0	110	F229 N238 N239	F229-H236 AromaticContact CE1-NE2 3.42Å; F229-H236 WeakPolarHBondContact CE1-NE2 3.28Å; H236-N238 PolarHBondContact CE1-ND2 3.2Å; H236-N238 VanDerWaalsContact ND1-CB 3.35Å; H236-N238 WeakPolarHBondContact ND1-CB 3.39Å; H236-N238 PolarHBondContact ND1-N 2.89Å; H236-N238 PolarHBondContact ND1-ND2 2.88Å; H236-N238 PolarHBondContact O-N 3.17Å; H236-N239 PolarHBondContact N-ND2 3.18Å; H236-N239 WeakPolarHBondContact O-CB 3.48Å; H236-N239 VanDerWaalsContact O-CG 3.22Å; H236-N239 PolarHBondContact O-N 3.21Å
237	P	95.3	Very high	93	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-56.8	-23.1	177.1	-24.9	31.3	0	0	0	115.1	C226 F229 N239 I240 W253 A281 F283	C226-P237 HydrophobicContact CB-CB 4.1Å; F229-P237 HydrophobicContact CB-CG 3.68Å; F229-P237 HydrophobicContact CD1-CG 3.99Å; F229-P237 HydrophobicContact CG-CG 3.84Å; P237-N239 PolarHBondContact O-N 2.72Å; P237-N239 VanDerWaalsContact O-N 3.13Å; P237-I240 WeakPolarHBondContact O-CG1 3.42Å; P237-I240 PolarHBondContact O-N 2.96Å; P237-W253 HydrophobicContact CB-CD2 4.41Å; P237-W253 HydrophobicContact CB-CG 4.32Å; P237-W253 HydrophobicContact CG-CD2 4.23Å; P237-W253 HydrophobicContact CG-CG 4.12Å; P237-A281 HydrophobicContact CB-CB 3.74Å; P237-A281 HydrophobicContact CG-CB 4.02Å; P237-F283 HydrophobicContact CB-CE1 4.07Å; P237-F283 HydrophobicContact CB-CZ 3.94Å; P237-F283 WeakPolarHBondContact O-CE1 3.29Å
238	N	94.2	Very high	93	Very high	12 Å²	12	38.9 Å²	38.9	6%	0.064	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-57.9	-24.7	171.8	-77.6	-18.8	0	0	0	113	I220 C226 H236 I240 I241 G242	I220-N238 HydrophobicContact CD1-CB 4.08Å; C226-N238 WeakPolarHBondContact CB-OD1 3.25Å; C226-N238 PolarHBondContact N-OD1 2.84Å; H236-N238 PolarHBondContact CE1-ND2 3.2Å; H236-N238 VanDerWaalsContact ND1-CB 3.35Å; H236-N238 WeakPolarHBondContact ND1-CB 3.39Å; H236-N238 PolarHBondContact ND1-N 2.89Å; H236-N238 PolarHBondContact ND1-ND2 2.88Å; H236-N238 PolarHBondContact O-N 3.17Å; N238-I240 VanDerWaalsContact C-N 3.3Å; N238-I240 PolarHBondContact O-N 2.74Å; N238-I241 WeakPolarHBondContact O-CG1 3.46Å; N238-I241 PolarHBondContact O-N 2.81Å; N238-G242 PolarHBondContact O-N 2.89Å
239	N	94.4	Very high	92.9	Very high	45 Å²	45	42.5 Å²	42.5	24%	0.241	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-61.9	-37.9	178.6	-66.4	-5.8	0	0	0	111.9	H236 P237 I241 G242 A250 G252 R379	H236-N239 PolarHBondContact N-ND2 3.18Å; H236-N239 WeakPolarHBondContact O-CB 3.48Å; H236-N239 VanDerWaalsContact O-CG 3.22Å; H236-N239 PolarHBondContact O-N 3.21Å; P237-N239 PolarHBondContact O-N 2.72Å; P237-N239 VanDerWaalsContact O-N 3.13Å; N239-I241 PolarHBondContact O-N 3.17Å; N239-G242 WeakPolarHBondContact O-CA 3.15Å; N239-G242 PolarHBondContact O-N 3.42Å; N239-A250 PolarHBondContact ND2-O 3.05Å; N239-G252 WeakPolarHBondContact CB-O 3.46Å; N239-G252 PolarHBondContact ND2-O 3.13Å; N239-R379 PolarHBondContact O-NH1 2.92Å; N239-R379 VanDerWaalsContact O-NH1 3.1Å
240	I	97.5	Very high	92.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-73.7	-19.2	-176.3	78.2	-177.8	0	0	0	112.6	P237 N238 G242 W253 F283 L369 V377 S378 R379 L380 R381	P237-I240 WeakPolarHBondContact O-CG1 3.42Å; P237-I240 PolarHBondContact O-N 2.96Å; N238-I240 VanDerWaalsContact C-N 3.3Å; N238-I240 PolarHBondContact O-N 2.74Å; I240-G242 VanDerWaalsContact C-N 3.34Å; I240-W253 HydrophobicContact CD1-CE3 4.03Å; I240-W253 HydrophobicContact CG2-CB 3.43Å; I240-W253 VanDerWaalsContact CG2-CB 3.43Å; I240-F283 HydrophobicContact CD1-CE2 4.16Å; I240-F283 HydrophobicContact CD1-CZ 3.65Å; I240-F283 HydrophobicContact CG1-CE1 4.34Å; I240-F283 HydrophobicContact CG1-CZ 3.86Å; I240-L369 HydrophobicContact CD1-CD2 3.58Å; I240-V377 HydrophobicContact CD1-CG1 4.39Å; I240-V377 HydrophobicContact CG2-CB 4.35Å; I240-V377 HydrophobicContact CG2-CG1 4.34Å; I240-V377 WeakPolarHBondContact CG2-O 3.45Å; I240-S378 WeakPolarHBondContact CA-O 2.95Å; I240-R379 CarbonylContact O-C 3.56Å; I240-R379 VanDerWaalsContact O-CA 3.22Å; I240-R379 WeakPolarHBondContact O-CA 3.06Å; I240-R379 WeakPolarHBondContact O-CD 3.44Å; I240-L380 HydrophobicContact CB-CB 4.46Å; I240-L380 HydrophobicContact CD1-CB 3.9Å; I240-L380 HydrophobicContact CD1-CD2 4.47Å; I240-L380 HydrophobicContact CG1-CB 3.86Å; I240-L380 PolarHBondContact O-N 3.45Å; I240-R381 PolarHBondContact O-NH1 3.07Å
241	I	97.3	Very high	92.5	Very high	0 Å²	0	45 Å²	45	0%	0	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-97.1	9.4	172.2	63.5	161.6	0	0	0	112.1	V218 I220 G224 N238 N239 F283 L380	V218-I241 HydrophobicContact CB-CG2 4.36Å; V218-I241 HydrophobicContact CG1-CB 4.47Å; V218-I241 HydrophobicContact CG1-CG2 3.81Å; V218-I241 HydrophobicContact CG2-CG2 3.76Å; V218-I241 WeakPolarHBondContact O-CB 3.33Å; I220-I241 HydrophobicContact CB-CD1 4.11Å; I220-I241 HydrophobicContact CB-CG1 4.14Å; I220-I241 WeakPolarHBondContact CB-O 3.34Å; I220-I241 HydrophobicContact CG1-CD1 4.41Å; I220-I241 WeakPolarHBondContact CG2-O 3.13Å; I220-I241 PolarHBondContact N-O 3Å; G224-I241 WeakPolarHBondContact O-CD1 3.5Å; N238-I241 WeakPolarHBondContact O-CG1 3.46Å; N238-I241 PolarHBondContact O-N 2.81Å; N239-I241 PolarHBondContact O-N 3.17Å; I241-F283 HydrophobicContact CD1-CD1 4.03Å; I241-F283 HydrophobicContact CD1-CE1 4.42Å; I241-F283 HydrophobicContact CG1-CD1 4.42Å; I241-F283 HydrophobicContact CG1-CE1 4.37Å; I241-F283 HydrophobicContact CG2-CD1 3.74Å; I241-F283 HydrophobicContact CG2-CE1 3.74Å; I241-F283 HydrophobicContact CG2-CG 4.36Å; I241-F283 HydrophobicContact CG2-CZ 4.37Å; I241-L380 HydrophobicContact CG2-CB 4.48Å
242	G	94.6	Very high	92.6	Very high	13 Å²	13	43.7 Å²	43.7	13%	0.134	27%	0.268	C	S	.	.	S	Bend	trans	-63	166.5	177.8	0	0	0	0	0	113.8	N238 N239 I240 R381	N238-G242 PolarHBondContact O-N 2.89Å; N239-G242 WeakPolarHBondContact O-CA 3.15Å; N239-G242 PolarHBondContact O-N 3.42Å; I240-G242 VanDerWaalsContact C-N 3.34Å; G242-R381 PolarHBondContact O-NH1 3.41Å; G242-R381 PolarHBondContact O-NH2 2.95Å
243	V	92.8	Very high	93	Very high	53 Å²	53	43.1 Å²	43.1	32%	0.321	26%	0.263	S	S	.	.	S	Bend	trans	-69.8	144.3	-179.7	-178.3	0	0	0	0	111	V27 I87 I220 A221 R379	V27-V243 HydrophobicContact CB-CB 4.41Å; V27-V243 HydrophobicContact CB-CG2 4.19Å; V27-V243 HydrophobicContact CG1-CB 4.43Å; V27-V243 HydrophobicContact CG1-CG2 4.28Å; I87-V243 HydrophobicContact CD1-CG2 3.79Å; I87-V243 HydrophobicContact CG1-CG2 3.99Å; I220-V243 HydrophobicContact CG2-CG2 4.44Å; A221-V243 HydrophobicContact CB-CG2 3.92Å; V243-R379 PolarHBondContact O-NH2 2.68Å
244	G	91.5	Very high	93.4	Very high	47 Å²	47	39.4 Å²	39.4	49%	0.485	25%	0.248	S	C	.	.	S	Bend	trans	62.5	-163.7	173.6	0	0	0	0	0	114.5	R379 R381	G244-R379 PolarHBondContact O-NE 2.96Å; G244-R381 PolarHBondContact O-NH2 3.46Å
245	G	92.4	Very high	93.8	Very high	56 Å²	56	34.4 Å²	34.4	58%	0.577	23%	0.226	S	C	*	.	S	Bend	trans	-76.5	156.8	171.6	0	0	0	0	0	111.7	R379	G245-R379 PolarHBondContact O-NH2 2.55Å
246	A	92.9	Very high	94.1	Very high	10 Å²	10	35 Å²	35	8%	0.083	23%	0.228	C	C	.	.			trans	-61.9	148.4	169.8	0	0	0	0	0	110.8	D251 Y300	A246-D251 VanDerWaalsContact CA-OD2 3.28Å; A246-D251 WeakPolarHBondContact CA-OD2 3.37Å; A246-Y300 HydrophobicContact CB-CD2 4Å; A246-Y300 HydrophobicContact CB-CE2 3.93Å; A246-Y300 WeakPolarHBondContact O-CE2 3.35Å; A246-Y300 PolarHBondContact O-OH 3.22Å
247	K	91.4	Very high	94.2	Very high	127 Å²	127	42.5 Å²	42.5	55%	0.552	26%	0.256	S	S	*	.	S	Bend	trans	-96.3	-25.8	173.9	-62.3	-176.9	-177.4	-177.9	0	113.4	D251 Y300	K247-D251 PolarHBondContact N-OD2 3.43Å; K247-Y300 WeakPolarHBondContact O-CE1 3.46Å; K247-Y300 PolarHBondContact O-OH 2.93Å
248	S	92.7	Very high	94.1	Very high	50 Å²	50	45.1 Å²	45.1	35%	0.35	27%	0.265	S	S	.	.	S	Bend	trans	-163	179.2	-179.8	72	0	0	0	0	110.5	A250 D251	S248-A250 VanDerWaalsContact C-N 3.25Å; S248-A250 PolarHBondContact O-N 2.85Å; S248-A250 PolarHBondContact OG-N 3.48Å; S248-D251 PolarHBondContact O-N 3.21Å
249	M	92.5	Very high	94	Very high	87 Å²	87	52.9 Å²	52.9	43%	0.429	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-61.3	-32.5	171.7	-67.9	-172.5	-65.1	0	0	112.8	D251 G252 Y300 F301	M249-D251 PolarHBondContact O-N 2.84Å; M249-G252 PolarHBondContact O-N 3.16Å; M249-Y300 VanDerWaalsContact CG-O 3.27Å; M249-Y300 WeakPolarHBondContact CG-O 2.87Å; M249-Y300 VanDerWaalsContact SD-O 3.35Å; M249-F301 HydrophobicContact CB-CD1 4.5Å; M249-F301 HydrophobicContact CB-CE1 3.9Å; M249-F301 HydrophobicContact CB-CZ 4.12Å; M249-F301 HydrophobicContact CG-CD1 4.01Å; M249-F301 HydrophobicContact CG-CE1 3.91Å; M249-F301 HydrophobicContact CG-CZ 4.36Å; M249-F301 HydrophobicContact SD-CD1 4.07Å; M249-F301 HydrophobicContact SD-CE1 4.28Å
250	A	90.1	Very high	93.8	Very high	81 Å²	81	54.5 Å²	54.5	67%	0.669	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-66.5	-21.3	179.7	0	0	0	0	0	112.8	N239 S248 G252	N239-A250 PolarHBondContact ND2-O 3.05Å; S248-A250 VanDerWaalsContact C-N 3.25Å; S248-A250 PolarHBondContact O-N 2.85Å; S248-A250 PolarHBondContact OG-N 3.48Å; A250-G252 VanDerWaalsContact C-N 3.27Å
251	D	91.2	Very high	93.4	Very high	42 Å²	42	58.5 Å²	58.5	23%	0.225	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-90.3	13.1	174.9	-171.7	20.2	0	0	0	111.5	A246 K247 S248 M249 R379	A246-D251 VanDerWaalsContact CA-OD2 3.28Å; A246-D251 WeakPolarHBondContact CA-OD2 3.37Å; K247-D251 PolarHBondContact N-OD2 3.43Å; S248-D251 PolarHBondContact O-N 3.21Å; M249-D251 PolarHBondContact O-N 2.84Å; D251-R379 VanDerWaalsContact CG-NH2 3.31Å; D251-R379 PolarHBondContact O-NH1 3.31Å; D251-R379 IonicContact OD1-CZ 3.93Å; D251-R379 IonicContact OD1-NH1 2.81Å; D251-R379 IonicContact OD1-NH2 3.09Å; D251-R379 PolarHBondContact OD1-NH2 2.81Å; D251-R379 VanDerWaalsContact OD1-NH2 3.17Å; D251-R379 IonicContact OD2-CZ 3.82Å; D251-R379 IonicContact OD2-NH1 3.79Å; D251-R379 IonicContact OD2-NH2 3.97Å; D251-R379 PolarHBondContact OD2-NH2 2.75Å
252	G	95.3	Very high	93.1	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	34%	0.344	C	S	.	.	S	Bend	trans	-111.9	-169.7	173.3	0	0	0	0	0	112.8	N239 M249 A250 V377	N239-G252 WeakPolarHBondContact CB-O 3.46Å; N239-G252 PolarHBondContact ND2-O 3.13Å; M249-G252 PolarHBondContact O-N 3.16Å; A250-G252 VanDerWaalsContact C-N 3.27Å; G252-V377 WeakPolarHBondContact CA-O 3.38Å
253	W	97.8	Very high	93	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	121.9	166.9	169.2	45	0	0	0	108.8	S231 P237 I240 T255 E279 A281 L369 I371 G376 V377	S231-W253 PolarHBondContact O-NE1 3.5Å; P237-W253 HydrophobicContact CB-CD2 4.41Å; P237-W253 HydrophobicContact CB-CG 4.32Å; P237-W253 HydrophobicContact CG-CD2 4.23Å; P237-W253 HydrophobicContact CG-CG 4.12Å; I240-W253 HydrophobicContact CD1-CE3 4.03Å; I240-W253 HydrophobicContact CG2-CB 3.43Å; I240-W253 VanDerWaalsContact CG2-CB 3.43Å; W253-T255 HydrophobicContact CZ2-CG2 3.69Å; W253-E279 HydrophobicContact CH2-CB 4.44Å; W253-E279 HydrophobicContact CZ2-CB 4.41Å; W253-A281 HydrophobicContact CH2-CB 3.91Å; W253-A281 HydrophobicContact CZ2-CB 4.2Å; W253-A281 HydrophobicContact CZ3-CB 4.07Å; W253-L369 HydrophobicContact CE3-CD2 4.47Å; W253-L369 HydrophobicContact CZ3-CD2 4.09Å; W253-L369 HydrophobicContact CZ3-CG 4.48Å; W253-I371 HydrophobicContact CH2-CD1 4.11Å; W253-I371 HydrophobicContact CH2-CG1 4.22Å; W253-I371 HydrophobicContact CZ3-CD1 4.06Å; W253-I371 HydrophobicContact CZ3-CG1 4.36Å; W253-I371 HydrophobicContact CZ3-CG2 4.35Å; W253-G376 CarbonylContact O-C 3.53Å; W253-G376 WeakPolarHBondContact O-CA 3.22Å; W253-V377 PolarHBondContact N-O 3.37Å; W253-V377 PolarHBondContact O-N 2.93Å
254	E	97.2	Very high	93	Very high	39 Å²	39	70.2 Å²	70.2	18%	0.182	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	137.5	176.5	172.9	-177.2	-165.7	0	0	111.2	F234 F301 N304 G375	F234-E254 CarbonylContact C-O 3.47Å; F234-E254 HydrophobicContact CB-CB 3.85Å; F234-E254 HydrophobicContact CB-CG 4.02Å; F234-E254 HydrophobicContact CD2-CG 4.14Å; F234-E254 PolarHBondContact N-O 3.43Å; F234-E254 CarbonylContact O-C 3.54Å; F234-E254 WeakPolarHBondContact O-CA 3.11Å; F234-E254 WeakPolarHBondContact O-CB 3.03Å; F234-E254 PolarHBondContact O-N 2.82Å; F234-E254 VanDerWaalsContact O-O 3.06Å; E254-F301 HydrophobicContact CB-CE1 3.8Å; E254-F301 HydrophobicContact CB-CZ 4.25Å; E254-F301 HydrophobicContact CG-CE1 4.32Å; E254-N304 VanDerWaalsContact CD-ND2 3.28Å; E254-N304 PolarHBondContact OE1-ND2 2.54Å; E254-G375 WeakPolarHBondContact CA-O 3.39Å
255	T	96.6	Very high	93.1	Very high	4 Å²	4	72.4 Å²	72.4	3%	0.025	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-101.8	161.6	-179.5	65.5	0	0	0	0	111.7	W253 E279 I371 D374 G375	W253-T255 HydrophobicContact CZ2-CG2 3.69Å; T255-E279 HydrophobicContact CG2-CB 3.8Å; T255-E279 HydrophobicContact CG2-CG 3.81Å; T255-I371 HydrophobicContact CG2-CD1 4.41Å; T255-D374 WeakPolarHBondContact OG1-CB 3.33Å; T255-G375 PolarHBondContact N-O 2.8Å; T255-G375 PolarHBondContact OG1-N 3.23Å; T255-G375 VanDerWaalsContact OG1-N 3.14Å; T255-G375 PolarHBondContact OG1-O 3.34Å
256	A	95.1	Very high	93.2	Very high	39 Å²	39	75.9 Å²	75.9	32%	0.322	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-64.1	150.8	167.8	0	0	0	0	0	110.1	K233 R258	K233-A256 HydrophobicContact CB-CB 4.25Å; K233-A256 HydrophobicContact CG-CB 4.16Å; A256-R258 PolarHBondContact O-N 3.49Å
257	R	94.6	Very high	93.3	Very high	188 Å²	188	79.6 Å²	79.6	71%	0.709	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-59.4	131.1	167.3	-68.4	179.6	-178.6	-177.8	0.3	109.3
258	R	93.7	Very high	93.4	Very high	55 Å²	55	76 Å²	76	21%	0.208	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-71.3	136.5	177	-75.8	-175.4	74	100.2	-2.1	111	A256 D260 R261 C278 E279 P373 D374	A256-R258 PolarHBondContact O-N 3.49Å; R258-D260 WeakPolarHBondContact CB-OD1 3.35Å; R258-D260 IonicContact CZ-OD1 3.47Å; R258-D260 IonicContact CZ-OD2 3.6Å; R258-D260 IonicContact NE-OD1 2.87Å; R258-D260 PolarHBondContact NE-OD1 2.85Å; R258-D260 IonicContact NE-OD2 3.67Å; R258-D260 IonicContact NH2-OD1 3.17Å; R258-D260 PolarHBondContact NH2-OD1 3.05Å; R258-D260 IonicContact NH2-OD2 3.76Å; R258-D260 PolarHBondContact NH2-OD2 3.22Å; R258-R261 HydrophobicContact CB-CG 3.84Å; R258-R261 PolarHBondContact O-NE 3.01Å; R258-R261 VanDerWaalsContact O-NE 3.07Å; R258-C278 PolarHBondContact NH1-O 3.03Å; R258-E279 IonicContact CZ-OE1 3.08Å; R258-E279 IonicContact NH1-OE1 2.89Å; R258-E279 PolarHBondContact NH1-OE1 3.47Å; R258-P373 WeakPolarHBondContact CD-O 3.49Å; R258-D374 WeakPolarHBondContact CB-OD2 3.49Å; R258-D374 HydrophobicContact CG-CB 4.08Å; R258-D374 PolarHBondContact N-OD2 2.96Å
259	L	92.3	Very high	93.4	Very high	174 Å²	174	81.9 Å²	81.9	91%	0.911	43%	0.43	S	S	*	.	S	Bend	trans	-87.9	-16.9	-179.5	-59.3	-178.2	0	0	0	112.6	R261	L259-R261 VanDerWaalsContact C-N 3.29Å
260	D	90.8	Very high	93.3	Very high	79 Å²	79	84 Å²	84	42%	0.422	44%	0.444	S	S	.	.	S	Bend	trans	-89.9	11.7	178.3	66.3	-29.8	0	0	0	113.2	R258	R258-D260 WeakPolarHBondContact CB-OD1 3.35Å; R258-D260 IonicContact CZ-OD1 3.47Å; R258-D260 IonicContact CZ-OD2 3.6Å; R258-D260 IonicContact NE-OD1 2.87Å; R258-D260 PolarHBondContact NE-OD1 2.85Å; R258-D260 IonicContact NE-OD2 3.67Å; R258-D260 IonicContact NH2-OD1 3.17Å; R258-D260 PolarHBondContact NH2-OD1 3.05Å; R258-D260 IonicContact NH2-OD2 3.76Å; R258-D260 PolarHBondContact NH2-OD2 3.22Å
261	R	89.4	Confident	93.4	Very high	85 Å²	85	81.6 Å²	81.6	32%	0.321	43%	0.426	S	S	.	.	S	Bend	trans	-68.3	141.5	174.1	-65.7	-174.2	-63.1	179.6	19.8	110.4	R258 L259 P373 D374	R258-R261 HydrophobicContact CB-CG 3.84Å; R258-R261 PolarHBondContact O-NE 3.01Å; R258-R261 VanDerWaalsContact O-NE 3.07Å; L259-R261 VanDerWaalsContact C-N 3.29Å; R261-P373 HydrophobicContact CG-CB 4.19Å; R261-D374 WeakPolarHBondContact CD-OD2 3.26Å; R261-D374 IonicContact CZ-OD2 3.94Å; R261-D374 IonicContact NE-OD2 3.33Å; R261-D374 IonicContact NH1-OD1 2.84Å; R261-D374 PolarHBondContact NH1-OD1 3.02Å; R261-D374 VanDerWaalsContact NH1-OD1 3.08Å; R261-D374 IonicContact NH1-OD2 2.71Å; R261-D374 PolarHBondContact NH1-OD2 2.99Å; R261-D374 VanDerWaalsContact NH1-OD2 3.14Å
262	P	90.9	Very high	93.5	Very high	47 Å²	47	80.8 Å²	80.8	31%	0.305	42%	0.421	S	S	.	.			trans	-64	149.9	177.1	28	-33.9	0	0	0	110.6	I264 L265 V275	P262-I264 PolarHBondContact O-N 2.9Å; P262-L265 HydrophobicContact CG-CD2 4.08Å; P262-V275 HydrophobicContact CG-CG1 4.16Å
263	P	91.1	Very high	93.4	Very high	136 Å²	136	82 Å²	82	88%	0.883	43%	0.428	S	S	*	.	S	Bend	trans	-66.7	-22.7	-178.7	27.1	-35	0	0	0	112.9
264	I	93.6	Very high	93.2	Very high	129 Å²	129	86.8 Å²	86.8	66%	0.662	45%	0.453	S	S	*	.	S	Bend	trans	-125.5	127	176.1	-57.5	175.8	0	0	0	106.6	P262	P262-I264 PolarHBondContact O-N 2.9Å
265	L	93.3	Very high	92.9	Very high	93 Å²	93	86.2 Å²	86.2	49%	0.487	45%	0.452	S	S	.	.			trans	-92.5	132.8	179.3	-67.9	176.3	0	0	0	109.7	P262 L273 V275	P262-L265 HydrophobicContact CG-CD2 4.08Å; L265-L273 HydrophobicContact CB-CD2 3.83Å; L265-L273 HydrophobicContact CD1-CD1 4.35Å; L265-L273 HydrophobicContact CD1-CD2 4.22Å; L265-L273 HydrophobicContact CD2-CD2 4.34Å; L265-L273 HydrophobicContact CG-CD2 4.36Å; L265-V275 HydrophobicContact CD2-CG1 3.48Å; L265-V275 VanDerWaalsContact CD2-CG1 3.48Å
266	E	95.3	Very high	92.5	Very high	128 Å²	128	89.8 Å²	89.8	60%	0.598	48%	0.477	S	S	*	.			trans	-119.3	153.3	174	-65.1	180	-175.1	0	0	109.1	L274	E266-L274 HydrophobicContact CB-CD1 4.45Å; E266-L274 PolarHBondContact O-N 3.01Å
267	N	95	Very high	92.3	Very high	89 Å²	89	89.3 Å²	89.3	48%	0.476	48%	0.476	S	S	.	.	B	Isolated β-bridge	trans	-110.4	155.1	174	-67.5	-56.6	0	0	0	110	G271 I272 L273	N267-G271 PolarHBondContact OD1-O 3.32Å; N267-I272 CarbonylContact C-O 3.46Å; N267-I272 VanDerWaalsContact CA-O 3.25Å; N267-I272 WeakPolarHBondContact CA-O 3.36Å; N267-L273 VanDerWaalsContact OD1-CD2 3.32Å; N267-L273 WeakPolarHBondContact OD1-CD2 3.4Å; N267-L273 PolarHBondContact OD1-N 3.21Å
268	D	93	Very high	92.3	Very high	52 Å²	52	82.2 Å²	82.2	28%	0.278	46%	0.455	S	S	.	.			trans	-74.6	178.8	162.1	75.5	2.4	0	0	0	111.7	N270 G271 I272 L274	D268-N270 PolarHBondContact O-N 2.82Å; D268-N270 VanDerWaalsContact O-N 3.12Å; D268-N270 WeakPolarHBondContact OD1-CA 3.36Å; D268-N270 WeakPolarHBondContact OD1-CB 3.5Å; D268-N270 PolarHBondContact OD1-N 3.19Å; D268-G271 PolarHBondContact O-N 2.66Å; D268-G271 PolarHBondContact OD1-N 3.08Å; D268-I272 PolarHBondContact N-O 2.89Å; D268-I272 PolarHBondContact OD1-N 3.48Å; D268-L274 HydrophobicContact CB-CD2 3.98Å; D268-L274 HydrophobicContact CB-CG 4.32Å
269	D	93.4	Very high	92.4	Very high	173 Å²	173	80.4 Å²	80.4	93%	0.925	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-19.1	179.7	-63.4	-32.3	0	0	0	113.6
270	N	89.1	Confident	92.7	Very high	132 Å²	132	73.8 Å²	73.8	71%	0.706	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	3.9	177.6	-58.1	-56.7	0	0	0	112.5	D268 I272	D268-N270 PolarHBondContact O-N 2.82Å; D268-N270 VanDerWaalsContact O-N 3.12Å; D268-N270 WeakPolarHBondContact OD1-CA 3.36Å; D268-N270 WeakPolarHBondContact OD1-CB 3.5Å; D268-N270 PolarHBondContact OD1-N 3.19Å; N270-I272 HydrophobicContact CB-CD1 4.46Å
271	G	92.4	Very high	93	Very high	29 Å²	29	70 Å²	70	30%	0.299	39%	0.392	S	S	.	.	S	Bend	trans	77.8	15.1	-179.5	0	0	0	0	0	114.2	N267 D268 K344	N267-G271 PolarHBondContact OD1-O 3.32Å; D268-G271 PolarHBondContact O-N 2.66Å; D268-G271 PolarHBondContact OD1-N 3.08Å; G271-K344 WeakPolarHBondContact O-CE 3.44Å; G271-K344 PolarHBondContact O-NZ 2.85Å
272	I	94.1	Very high	93.4	Very high	25 Å²	25	66 Å²	66	13%	0.128	38%	0.376	C	S	.	.			trans	-85.5	136	175.8	-63.5	167.5	0	0	0	109.3	N267 D268 N270 L274 V342 K344	N267-I272 CarbonylContact C-O 3.46Å; N267-I272 VanDerWaalsContact CA-O 3.25Å; N267-I272 WeakPolarHBondContact CA-O 3.36Å; D268-I272 PolarHBondContact N-O 2.89Å; D268-I272 PolarHBondContact OD1-N 3.48Å; N270-I272 HydrophobicContact CB-CD1 4.46Å; I272-L274 PolarHBondContact O-N 2.89Å; I272-V342 HydrophobicContact CD1-CG1 4.05Å; I272-V342 HydrophobicContact CG2-CG1 4.17Å; I272-K344 HydrophobicContact CG1-CB 4.5Å; I272-K344 HydrophobicContact CG1-CD 4.33Å
273	L	93.4	Very high	93.7	Very high	27 Å²	27	63.8 Å²	63.8	14%	0.141	36%	0.362	C	S	.	.	B	Isolated β-bridge	trans	-63.5	128.9	179.5	-79.5	178.1	0	0	0	112.8	L265 N267 V275 D307	L265-L273 HydrophobicContact CB-CD2 3.83Å; L265-L273 HydrophobicContact CD1-CD1 4.35Å; L265-L273 HydrophobicContact CD1-CD2 4.22Å; L265-L273 HydrophobicContact CD2-CD2 4.34Å; L265-L273 HydrophobicContact CG-CD2 4.36Å; N267-L273 VanDerWaalsContact OD1-CD2 3.32Å; N267-L273 WeakPolarHBondContact OD1-CD2 3.4Å; N267-L273 PolarHBondContact OD1-N 3.21Å; L273-V275 HydrophobicContact CB-CG1 4.21Å; L273-V275 HydrophobicContact CB-CG2 4.25Å; L273-V275 PolarHBondContact O-N 2.9Å; L273-D307 HydrophobicContact CB-CB 4.33Å; L273-D307 WeakPolarHBondContact CB-OD2 3.12Å; L273-D307 HydrophobicContact CD1-CB 3.64Å; L273-D307 VanDerWaalsContact CD1-OD1 3.32Å; L273-D307 WeakPolarHBondContact CD1-OD1 3.3Å; L273-D307 HydrophobicContact CG-CB 4.13Å; L273-D307 WeakPolarHBondContact CG-OD1 3.4Å; L273-D307 PolarHBondContact N-OD2 2.99Å
274	L	92.2	Very high	94	Very high	100 Å²	100	61.7 Å²	61.7	52%	0.524	34%	0.336	S	S	.	.			trans	-84.8	84.7	171.9	-64.9	176.8	0	0	0	109.8	E266 D268 I272	E266-L274 HydrophobicContact CB-CD1 4.45Å; E266-L274 PolarHBondContact O-N 3.01Å; D268-L274 HydrophobicContact CB-CD2 3.98Å; D268-L274 HydrophobicContact CB-CG 4.32Å; I272-L274 PolarHBondContact O-N 2.89Å
275	V	91.5	Very high	94.2	Very high	27 Å²	27	55.8 Å²	55.8	16%	0.164	31%	0.306	C	S	.	.			trans	-131.4	143.1	-177.4	-67.2	0	0	0	0	111.6	P262 L265 L273 V372 P373	P262-V275 HydrophobicContact CG-CG1 4.16Å; L265-V275 HydrophobicContact CD2-CG1 3.48Å; L265-V275 VanDerWaalsContact CD2-CG1 3.48Å; L273-V275 HydrophobicContact CB-CG1 4.21Å; L273-V275 HydrophobicContact CB-CG2 4.25Å; L273-V275 PolarHBondContact O-N 2.9Å; V275-V372 HydrophobicContact CG2-CG1 3.35Å; V275-P373 HydrophobicContact CB-CB 4.43Å; V275-P373 HydrophobicContact CG2-CB 3.81Å; V275-P373 HydrophobicContact CG2-CG 4.29Å
276	S	87.4	Confident	94.2	Very high	78 Å²	78	52.1 Å²	52.1	55%	0.545	29%	0.289	S	S	.	.	S	Bend	trans	-81.3	146	169	54.1	0	0	0	0	110.9
277	G	90.8	Very high	94.1	Very high	30 Å²	30	48.1 Å²	48.1	31%	0.309	27%	0.27	S	S	.	.			trans	89.2	160	178.4	0	0	0	0	0	113.6
278	C	95.1	Very high	94	Very high	38 Å²	38	45.2 Å²	45.2	26%	0.257	26%	0.256	S	S	.	.			trans	-160.2	161	179.7	63	0	0	0	0	109.7	R258 T370 I371 V372	R258-C278 PolarHBondContact NH1-O 3.03Å; C278-T370 HydrophobicContact CB-CG2 3.55Å; C278-I371 WeakPolarHBondContact CB-O 3.12Å; C278-V372 HydrophobicContact CB-CG2 3.88Å
279	E	97.1	Very high	94	Very high	17 Å²	17	42.7 Å²	42.7	8%	0.079	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	149.6	166.9	-58.7	-62.6	136.7	0	0	109.6	S230 S231 W253 T255 R258 T370 I371 D374	S230-E279 VanDerWaalsContact CB-OE2 3.26Å; S230-E279 WeakPolarHBondContact CB-OE2 3.12Å; S230-E279 VanDerWaalsContact OG-CA 3.28Å; S230-E279 WeakPolarHBondContact OG-CA 3.42Å; S230-E279 WeakPolarHBondContact OG-CB 3.48Å; S230-E279 PolarHBondContact OG-OE2 3.08Å; S231-E279 WeakPolarHBondContact CB-OE2 3.39Å; W253-E279 HydrophobicContact CH2-CB 4.44Å; W253-E279 HydrophobicContact CZ2-CB 4.41Å; T255-E279 HydrophobicContact CG2-CB 3.8Å; T255-E279 HydrophobicContact CG2-CG 3.81Å; R258-E279 IonicContact CZ-OE1 3.08Å; R258-E279 IonicContact NH1-OE1 2.89Å; R258-E279 PolarHBondContact NH1-OE1 3.47Å; E279-T370 CarbonylContact O-C 3.37Å; E279-T370 WeakPolarHBondContact O-CA 3.32Å; E279-I371 HydrophobicContact CB-CD1 4.2Å; E279-I371 HydrophobicContact CB-CG1 3.76Å; E279-I371 PolarHBondContact N-O 2.76Å; E279-I371 PolarHBondContact O-N 2.89Å; E279-D374 HydrophobicContact CG-CB 4.28Å
280	W	97.6	Very high	93.9	Very high	36 Å²	36	35 Å²	35	14%	0.136	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	154.1	-174.8	58.7	-92.8	0	0	0	112.4	G228 F229 S230 V282 W329 R368 L369	G228-W280 VanDerWaalsContact C-CZ3 3.49Å; F229-W280 CarbonylContact C-O 3.52Å; F229-W280 VanDerWaalsContact CA-CZ3 3.5Å; F229-W280 WeakPolarHBondContact CA-O 3.4Å; F229-W280 VanDerWaalsContact N-CZ3 3.35Å; S230-W280 PolarHBondContact N-O 2.9Å; S230-W280 PolarHBondContact OG-N 3.23Å; S230-W280 PolarHBondContact OG-O 2.8Å; W280-V282 HydrophobicContact CE3-CG2 3.81Å; W280-V282 HydrophobicContact CZ3-CG2 3.82Å; W280-W329 HydrophobicContact CH2-CB 3.64Å; W280-W329 HydrophobicContact CH2-CG 4.06Å; W280-W329 HydrophobicContact CZ2-CB 4.41Å; W280-W329 HydrophobicContact CZ3-CB 3.85Å; W280-W329 AromaticContact CZ3-CG 4Å; W280-W329 HydrophobicContact CZ3-CG 4Å; W280-R368 HydrophobicContact CB-CG 4.4Å; W280-R368 VanDerWaalsContact CG-NH2 3.27Å; W280-L369 CarbonylContact C-O 3.6Å; W280-L369 WeakPolarHBondContact CA-O 3.32Å
281	A	97.8	Very high	94.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	138.7	169.5	0	0	0	0	0	109.4	G228 F229 P237 W253 F283 R368 L369	G228-A281 CarbonylContact O-C 3.4Å; G228-A281 WeakPolarHBondContact O-CA 3.35Å; F229-A281 HydrophobicContact CB-CB 4.17Å; P237-A281 HydrophobicContact CB-CB 3.74Å; P237-A281 HydrophobicContact CG-CB 4.02Å; W253-A281 HydrophobicContact CH2-CB 3.91Å; W253-A281 HydrophobicContact CZ2-CB 4.2Å; W253-A281 HydrophobicContact CZ3-CB 4.07Å; A281-F283 HydrophobicContact CB-CE2 3.65Å; A281-F283 HydrophobicContact CB-CZ 3.64Å; A281-R368 CarbonylContact O-C 3.58Å; A281-R368 WeakPolarHBondContact O-CA 3.32Å; A281-L369 PolarHBondContact N-O 2.83Å; A281-L369 PolarHBondContact O-N 2.97Å
282	V	97.7	Very high	94.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	131.7	177.8	-174.1	0	0	0	0	109.5	C226 V227 G228 W280 W329 W336 H366 A367 R368	C226-V282 CarbonylContact C-O 3.41Å; C226-V282 WeakPolarHBondContact CA-O 3.47Å; V227-V282 HydrophobicContact CG2-CB 4.26Å; V227-V282 HydrophobicContact CG2-CG1 3.95Å; V227-V282 WeakPolarHBondContact CG2-O 3.28Å; V227-V282 PolarHBondContact N-O 3.33Å; G228-V282 PolarHBondContact N-O 3.3Å; G228-V282 PolarHBondContact O-N 3.3Å; W280-V282 HydrophobicContact CE3-CG2 3.81Å; W280-V282 HydrophobicContact CZ3-CG2 3.82Å; V282-W329 HydrophobicContact CB-CD2 4.05Å; V282-W329 HydrophobicContact CB-CE3 4.11Å; V282-W329 HydrophobicContact CB-CH2 4.34Å; V282-W329 HydrophobicContact CB-CZ2 4.3Å; V282-W329 HydrophobicContact CB-CZ3 4.25Å; V282-W329 HydrophobicContact CG1-CD2 4.17Å; V282-W329 HydrophobicContact CG1-CE3 3.78Å; V282-W329 HydrophobicContact CG1-CH2 3.56Å; V282-W329 HydrophobicContact CG1-CZ2 3.98Å; V282-W329 HydrophobicContact CG1-CZ3 3.46Å; V282-W329 VanDerWaalsContact CG1-CZ3 3.46Å; V282-W329 HydrophobicContact CG2-CD2 3.84Å; V282-W329 HydrophobicContact CG2-CE3 3.83Å; V282-W329 HydrophobicContact CG2-CG 4.16Å; V282-W329 HydrophobicContact CG2-CZ3 4.38Å; V282-W336 HydrophobicContact CG1-CH2 4.05Å; V282-W336 HydrophobicContact CG2-CH2 4.27Å; V282-H366 HydrophobicContact CG1-CB 4.39Å; V282-A367 CarbonylContact C-O 3.51Å; V282-A367 WeakPolarHBondContact CA-O 3.45Å; V282-R368 HydrophobicContact CG2-CB 4.08Å; V282-R368 HydrophobicContact CG2-CG 4.02Å
283	F	97.6	Very high	94.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	130.2	-177.5	-56.1	-86.2	0	0	0	109.7	V218 V225 C226 P237 I240 I241 A281 H366 A367 L369 L380	V218-F283 HydrophobicContact CG2-CB 3.49Å; V218-F283 VanDerWaalsContact CG2-CB 3.49Å; V218-F283 HydrophobicContact CG2-CD1 4.39Å; V218-F283 HydrophobicContact CG2-CG 3.96Å; V225-F283 CarbonylContact O-C 3.59Å; V225-F283 VanDerWaalsContact O-CA 3.27Å; V225-F283 WeakPolarHBondContact O-CA 3.4Å; C226-F283 HydrophobicContact CB-CD1 3.9Å; C226-F283 HydrophobicContact CB-CE1 3.81Å; P237-F283 HydrophobicContact CB-CE1 4.07Å; P237-F283 HydrophobicContact CB-CZ 3.94Å; P237-F283 WeakPolarHBondContact O-CE1 3.29Å; I240-F283 HydrophobicContact CD1-CE2 4.16Å; I240-F283 HydrophobicContact CD1-CZ 3.65Å; I240-F283 HydrophobicContact CG1-CE1 4.34Å; I240-F283 HydrophobicContact CG1-CZ 3.86Å; I241-F283 HydrophobicContact CD1-CD1 4.03Å; I241-F283 HydrophobicContact CD1-CE1 4.42Å; I241-F283 HydrophobicContact CG1-CD1 4.42Å; I241-F283 HydrophobicContact CG1-CE1 4.37Å; I241-F283 HydrophobicContact CG2-CD1 3.74Å; I241-F283 HydrophobicContact CG2-CE1 3.74Å; I241-F283 HydrophobicContact CG2-CG 4.36Å; I241-F283 HydrophobicContact CG2-CZ 4.37Å; A281-F283 HydrophobicContact CB-CE2 3.65Å; A281-F283 HydrophobicContact CB-CZ 3.64Å; F283-H366 CarbonylContact O-C 3.51Å; F283-H366 WeakPolarHBondContact O-CA 3.48Å; F283-A367 PolarHBondContact N-O 2.92Å; F283-A367 PolarHBondContact O-N 2.79Å; F283-L369 HydrophobicContact CE2-CB 4.22Å; F283-L380 HydrophobicContact CD2-CD2 3.87Å; F283-L380 HydrophobicContact CE2-CD2 3.8Å; F283-L380 HydrophobicContact CZ-CD2 4.48Å
284	R	97.1	Very high	94.4	Very high	92 Å²	92	32.5 Å²	32.5	35%	0.347	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	130	161.7	178	166.2	45.8	71.3	-2.1	108.4	G224 V225 V227 E321	G224-R284 WeakPolarHBondContact CA-O 3.47Å; V225-R284 HydrophobicContact CG1-CB 4.2Å; V225-R284 VanDerWaalsContact CG1-NH2 3.25Å; V225-R284 PolarHBondContact N-O 3.2Å; V225-R284 VanDerWaalsContact N-O 3.08Å; V225-R284 PolarHBondContact O-N 3.39Å; V227-R284 HydrophobicContact CG1-CB 3.98Å; V227-R284 HydrophobicContact CG2-CB 4.43Å; R284-E321 WeakPolarHBondContact CD-OE2 3.43Å; R284-E321 IonicContact NE-OE1 3.24Å; R284-E321 IonicContact NE-OE2 2.55Å; R284-E321 PolarHBondContact NE-OE2 3.35Å
285	L	96.4	Very high	94.7	Very high	6 Å²	6	29.1 Å²	29.1	3%	0.031	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	147.7	175	-58.3	-168.8	0	0	0	110.5	L217 V218 H287 I291 I364 T365 A367 L382	L217-L285 HydrophobicContact CB-CB 4.44Å; L217-L285 HydrophobicContact CB-CD1 4.05Å; L217-L285 HydrophobicContact CD1-CD1 4.45Å; L217-L285 CarbonylContact O-C 3.52Å; L217-L285 VanDerWaalsContact O-CA 3.3Å; L217-L285 WeakPolarHBondContact O-CA 3.04Å; L217-L285 WeakPolarHBondContact O-CB 3.28Å; V218-L285 HydrophobicContact CB-CD2 3.81Å; V218-L285 HydrophobicContact CG2-CD2 3.9Å; L285-H287 WeakPolarHBondContact CB-O 3.38Å; L285-H287 PolarHBondContact O-N 3.13Å; L285-I291 HydrophobicContact CD1-CD1 4.14Å; L285-I364 HydrophobicContact CD1-CD1 4.05Å; L285-I364 HydrophobicContact CD1-CG1 3.65Å; L285-T365 PolarHBondContact N-O 2.95Å; L285-A367 HydrophobicContact CD2-CB 4.47Å; L285-L382 HydrophobicContact CD2-CD1 3.98Å
286	A	94.8	Very high	95	Very high	16 Å²	16	27.9 Å²	27.9	13%	0.132	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	-32.6	171.4	0	0	0	0	0	112.1	W206 L217 F222	W206-A286 HydrophobicContact CZ2-CB 3.78Å; L217-A286 WeakPolarHBondContact O-CB 3.38Å; L217-A286 PolarHBondContact O-N 3.1Å; F222-A286 HydrophobicContact CB-CB 3.62Å; F222-A286 WeakPolarHBondContact O-CB 3.26Å
287	H	93.1	Very high	95.5	Very high	43 Å²	43	24.4 Å²	24.4	20%	0.199	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	141.1	174.3	-159	-82.6	0	0	0	109.9	W206 L285 G289 P386 S387	W206-H287 AromaticContact CD1-CD2 3.43Å; W206-H287 VanDerWaalsContact CD1-CD2 3.43Å; W206-H287 HydrophobicContact CD2-CB 3.86Å; W206-H287 AromaticContact CD2-CD2 3.69Å; W206-H287 AromaticContact CD2-CG 3.92Å; W206-H287 AromaticContact CE2-CD2 3.96Å; W206-H287 HydrophobicContact CE3-CB 4.28Å; W206-H287 HydrophobicContact CG-CB 4.4Å; W206-H287 AromaticContact CG-CD2 3.34Å; W206-H287 HydrophobicContact CH2-CB 4.07Å; W206-H287 HydrophobicContact CZ2-CB 3.63Å; W206-H287 HydrophobicContact CZ3-CB 4.37Å; W206-H287 AromaticContact NE1-CD2 3.76Å; L285-H287 WeakPolarHBondContact CB-O 3.38Å; L285-H287 PolarHBondContact O-N 3.13Å; H287-G289 PolarHBondContact O-N 2.89Å; H287-P386 HydrophobicContact CB-CB 4.42Å; H287-S387 PolarHBondContact CE1-O 2.92Å
288	P	92.9	Very high	95.9	Very high	28 Å²	28	23 Å²	23	18%	0.182	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	140.7	168.8	-23.5	33.2	0	0	0	110.8	V363 I364 T365 S387	P288-V363 HydrophobicContact CB-CG1 3.99Å; P288-I364 WeakPolarHBondContact CA-O 3.3Å; P288-T365 HydrophobicContact CB-CG2 4Å; P288-T365 HydrophobicContact CG-CG2 3.91Å; P288-S387 PolarHBondContact O-N 3.23Å
289	G	91.8	Very high	96	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.6	-179.6	179.2	0	0	0	0	0	114.2	H287 V363 I364 F385	H287-G289 PolarHBondContact O-N 2.89Å; G289-V363 WeakPolarHBondContact O-CA 3.28Å; G289-I364 PolarHBondContact N-O 3.23Å; G289-I364 PolarHBondContact O-N 2.9Å; G289-F385 CarbonylContact C-O 3.54Å; G289-F385 WeakPolarHBondContact CA-O 3.31Å
290	V	91.8	Very high	96.1	Very high	12 Å²	12	29.2 Å²	29.2	7%	0.073	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	123.1	177.5	-179.5	0	0	0	0	108.2	V363 G384 F385	V290-V363 HydrophobicContact CG2-CG2 3.96Å; V290-G384 CarbonylContact O-C 3.51Å; V290-G384 WeakPolarHBondContact O-CA 3.27Å; V290-F385 PolarHBondContact N-O 3.23Å; V290-F385 PolarHBondContact O-N 3.17Å
291	I	93.8	Very high	96.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	138.3	176	-52.9	-49.8	0	0	0	108.4	L217 L285 I294 L339 T357 I364 L382	L217-I291 HydrophobicContact CB-CD1 4.31Å; L217-I291 HydrophobicContact CD1-CD1 3.93Å; L217-I291 HydrophobicContact CG-CD1 4.43Å; L285-I291 HydrophobicContact CD1-CD1 4.14Å; I291-I294 HydrophobicContact CG2-CD1 4.43Å; I291-I294 HydrophobicContact CG2-CG1 3.83Å; I291-L339 HydrophobicContact CG1-CD1 4.35Å; I291-T357 PolarHBondContact O-OG1 3.17Å; I291-I364 HydrophobicContact CD1-CD1 4.36Å; I291-I364 HydrophobicContact CG1-CD1 3.6Å; I291-I364 HydrophobicContact CG1-CG1 4.23Å; I291-L382 HydrophobicContact CD1-CB 3.86Å; I291-L382 HydrophobicContact CG1-CB 4.39Å; I291-L382 HydrophobicContact CG2-CB 4.33Å; I291-L382 HydrophobicContact CG2-CD2 4.41Å
292	T	93.1	Very high	96	Very high	42 Å²	42	34.8 Å²	34.8	26%	0.258	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	-27.7	177.6	50.2	0	0	0	0	111.5	H214 S355 R383 F385	H214-T292 PolarHBondContact NE2-OG1 3.18Å; T292-S355 PolarHBondContact O-N 3.32Å; T292-R383 PolarHBondContact N-O 3.49Å; T292-R383 PolarHBondContact OG1-O 2.96Å; T292-F385 HydrophobicContact CG2-CD2 4.24Å; T292-F385 HydrophobicContact CG2-CE2 4.15Å
293	R	95.3	Very high	96	Very high	118 Å²	118	38.5 Å²	38.5	45%	0.445	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	138.4	175.5	-67.3	-176.1	177.5	164.1	0.4	111.3	L352 F353 R383	R293-L352 HydrophobicContact CB-CD1 4.37Å; R293-F353 WeakPolarHBondContact CA-O 3.34Å; R293-R383 HydrophobicContact CB-CB 4.37Å; R293-R383 PolarHBondContact N-O 3.19Å; R293-R383 PolarHBondContact O-N 3.19Å
294	I	97.6	Very high	95.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	126.7	178	-61.1	172.6	0	0	0	107.6	I291 I296 V311 L339 L340 F353 L380 R381 L382	I291-I294 HydrophobicContact CG2-CD1 4.43Å; I291-I294 HydrophobicContact CG2-CG1 3.83Å; I294-I296 HydrophobicContact CG2-CD1 4.1Å; I294-I296 HydrophobicContact CG2-CG1 4.19Å; I294-V311 HydrophobicContact CD1-CB 4.3Å; I294-V311 HydrophobicContact CG2-CG2 4.1Å; I294-L339 HydrophobicContact CD1-CB 3.81Å; I294-L340 HydrophobicContact CD1-CB 3.83Å; I294-L340 HydrophobicContact CG2-CD2 4.41Å; I294-F353 PolarHBondContact N-O 3.04Å; I294-F353 PolarHBondContact O-N 3.29Å; I294-L380 HydrophobicContact CG2-CD1 4.49Å; I294-R381 WeakPolarHBondContact CA-O 3.5Å; I294-L382 HydrophobicContact CB-CD2 4.39Å; I294-L382 HydrophobicContact CD1-CD2 4.47Å; I294-L382 HydrophobicContact CG1-CD2 3.86Å; I294-L382 HydrophobicContact CG2-CD2 4.04Å
295	E	98.4	Very high	95.9	Very high	29 Å²	29	37.3 Å²	37.3	14%	0.136	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	126.5	171.9	-165.9	-176.7	160.1	0	0	109.4	S350 H351 L352 L380 R381 R383	E295-S350 WeakPolarHBondContact CG-OG 3.44Å; E295-S350 PolarHBondContact OE1-OG 3.46Å; E295-H351 CarbonylContact C-O 3.53Å; E295-H351 VanDerWaalsContact CA-O 3.29Å; E295-H351 WeakPolarHBondContact CA-O 3.44Å; E295-L352 HydrophobicContact CB-CD1 4.26Å; E295-L380 WeakPolarHBondContact O-CA 3.32Å; E295-R381 HydrophobicContact CB-CB 3.68Å; E295-R381 HydrophobicContact CB-CG 3.85Å; E295-R381 HydrophobicContact CG-CG 4.44Å; E295-R381 PolarHBondContact N-O 3.3Å; E295-R381 PolarHBondContact O-N 3.24Å; E295-R381 WeakPolarHBondContact OE2-CG 3.33Å; E295-R383 IonicContact OE2-CZ 2.8Å; E295-R383 IonicContact OE2-NH2 3.49Å; E295-R383 PolarHBondContact OE2-NH2 3Å
296	I	98.6	Very high	96	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	108.4	170.8	-53.6	-64.3	0	0	0	107.9	I294 V311 L345 H351 F353 L369 V377 L380	I294-I296 HydrophobicContact CG2-CD1 4.1Å; I294-I296 HydrophobicContact CG2-CG1 4.19Å; I296-V311 HydrophobicContact CD1-CG2 4.27Å; I296-L345 HydrophobicContact CB-CD2 4.26Å; I296-L345 HydrophobicContact CG2-CD1 3.94Å; I296-L345 HydrophobicContact CG2-CD2 3.97Å; I296-H351 PolarHBondContact N-O 3.46Å; I296-H351 WeakPolarHBondContact O-CB 3.36Å; I296-H351 PolarHBondContact O-N 3.47Å; I296-H351 PolarHBondContact O-ND1 2.89Å; I296-F353 HydrophobicContact CB-CE2 4.5Å; I296-F353 HydrophobicContact CG1-CE2 4.32Å; I296-L369 HydrophobicContact CD1-CD1 3.81Å; I296-V377 HydrophobicContact CG2-CG1 4.26Å; I296-L380 HydrophobicContact CD1-CD1 3.39Å
297	D	98.4	Very high	96.1	Very high	5 Å²	5	37.9 Å²	37.9	3%	0.027	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	125.8	178.7	-164.7	-12.8	0	0	0	110.6	K299 V377 S378 R379	D297-K299 WeakPolarHBondContact OD1-CB 3.27Å; D297-K299 WeakPolarHBondContact OD1-CG 3.41Å; D297-K299 PolarHBondContact OD1-N 2.73Å; D297-K299 WeakPolarHBondContact OD2-CD 3.25Å; D297-K299 IonicContact OD2-NZ 3.89Å; D297-V377 WeakPolarHBondContact O-CG1 3.46Å; D297-S378 WeakPolarHBondContact O-CA 3.43Å; D297-S378 WeakPolarHBondContact O-CB 3.36Å; D297-S378 PolarHBondContact O-N 2.89Å; D297-S378 PolarHBondContact O-OG 3.27Å; D297-R379 HydrophobicContact CB-CB 3.92Å; D297-R379 PolarHBondContact N-O 3.14Å; D297-R379 PolarHBondContact O-N 3.21Å
298	T	98.4	Very high	96.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.189	C	C	.	.			trans	-112.1	12.9	175.4	64.6	0	0	0	0	112.5	F301 A305 L345 S346 N348 Q349 S378	T298-F301 WeakPolarHBondContact O-CB 3.4Å; T298-F301 PolarHBondContact O-N 2.97Å; T298-A305 HydrophobicContact CG2-CB 4.23Å; T298-L345 HydrophobicContact CG2-CD1 4.3Å; T298-S346 PolarHBondContact OG1-O 3.04Å; T298-N348 VanDerWaalsContact O-CA 3.29Å; T298-N348 WeakPolarHBondContact O-CA 3.19Å; T298-N348 PolarHBondContact O-N 3.08Å; T298-N348 PolarHBondContact OG1-N 3.2Å; T298-Q349 PolarHBondContact N-O 2.66Å; T298-Q349 PolarHBondContact OG1-N 2.85Å; T298-Q349 PolarHBondContact OG1-O 2.9Å; T298-S378 WeakPolarHBondContact CA-OG 3.3Å
299	K	97.8	Very high	96.6	Very high	95 Å²	95	34.6 Å²	34.6	41%	0.413	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47	142.8	174.3	-82	173.6	-165.6	162.8	0	112.1	D297 F301 S378	D297-K299 WeakPolarHBondContact OD1-CB 3.27Å; D297-K299 WeakPolarHBondContact OD1-CG 3.41Å; D297-K299 PolarHBondContact OD1-N 2.73Å; D297-K299 WeakPolarHBondContact OD2-CD 3.25Å; D297-K299 IonicContact OD2-NZ 3.89Å; K299-F301 PolarHBondContact O-N 3.49Å; K299-F301 VanDerWaalsContact O-N 3.16Å; K299-S378 PolarHBondContact N-OG 2.83Å; K299-S378 WeakPolarHBondContact O-CB 3.16Å; K299-S378 PolarHBondContact O-OG 3.05Å
300	Y	97.5	Very high	96.9	Very high	91 Å²	91	37.8 Å²	37.8	36%	0.357	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	-25.1	-172	-47.4	-79.1	0	0	0	115.4	A246 K247 M249 K302 N348	A246-Y300 HydrophobicContact CB-CD2 4Å; A246-Y300 HydrophobicContact CB-CE2 3.93Å; A246-Y300 WeakPolarHBondContact O-CE2 3.35Å; A246-Y300 PolarHBondContact O-OH 3.22Å; K247-Y300 WeakPolarHBondContact O-CE1 3.46Å; K247-Y300 PolarHBondContact O-OH 2.93Å; M249-Y300 VanDerWaalsContact CG-O 3.27Å; M249-Y300 WeakPolarHBondContact CG-O 2.87Å; M249-Y300 VanDerWaalsContact SD-O 3.35Å; Y300-K302 PolarHBondContact O-N 2.75Å; Y300-K302 VanDerWaalsContact O-N 3.08Å; Y300-N348 PolarHBondContact N-OD1 2.85Å
301	F	97.4	Very high	97.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.192	C	C	.	.			trans	-85	79.2	173.3	-61.2	-75.7	0	0	0	110.7	M249 E254 T298 K299 N304 A305 P347 N348 G376 V377 S378	M249-F301 HydrophobicContact CB-CD1 4.5Å; M249-F301 HydrophobicContact CB-CE1 3.9Å; M249-F301 HydrophobicContact CB-CZ 4.12Å; M249-F301 HydrophobicContact CG-CD1 4.01Å; M249-F301 HydrophobicContact CG-CE1 3.91Å; M249-F301 HydrophobicContact CG-CZ 4.36Å; M249-F301 HydrophobicContact SD-CD1 4.07Å; M249-F301 HydrophobicContact SD-CE1 4.28Å; E254-F301 HydrophobicContact CB-CE1 3.8Å; E254-F301 HydrophobicContact CB-CZ 4.25Å; E254-F301 HydrophobicContact CG-CE1 4.32Å; T298-F301 WeakPolarHBondContact O-CB 3.4Å; T298-F301 PolarHBondContact O-N 2.97Å; K299-F301 PolarHBondContact O-N 3.49Å; K299-F301 VanDerWaalsContact O-N 3.16Å; F301-N304 WeakPolarHBondContact CA-OD1 3.34Å; F301-A305 HydrophobicContact CB-CB 4.05Å; F301-A305 WeakPolarHBondContact O-CB 3.42Å; F301-P347 WeakPolarHBondContact O-CB 3.21Å; F301-N348 PolarHBondContact O-N 2.93Å; F301-G376 VanDerWaalsContact CD2-C 3.49Å; F301-G376 WeakPolarHBondContact CD2-O 3.28Å; F301-G376 WeakPolarHBondContact CG-O 3.47Å; F301-V377 VanDerWaalsContact CE2-C 3.43Å; F301-V377 WeakPolarHBondContact CE2-O 3.26Å; F301-S378 VanDerWaalsContact CD2-OG 3.26Å; F301-S378 WeakPolarHBondContact CD2-OG 3.25Å; F301-S378 WeakPolarHBondContact CE2-OG 3.06Å
302	K	97.4	Very high	97.3	Very high	154 Å²	154	37.9 Å²	37.9	67%	0.67	20%	0.195	S	C	*	.	S	Bend	trans	-81.4	-28.8	-171.3	-64.3	177.5	-176.5	-179	0	114.2	Y300 P347 N348	Y300-K302 PolarHBondContact O-N 2.75Å; Y300-K302 VanDerWaalsContact O-N 3.08Å; K302-P347 WeakPolarHBondContact O-CB 3.46Å; K302-N348 HydrophobicContact CG-CB 3.88Å
303	G	96.3	Very high	97.4	Very high	78 Å²	78	35.9 Å²	35.9	80%	0.804	18%	0.183	S	C	*	.	S	Bend	trans	-133.5	1.8	-178.8	0	0	0	0	0	113.9
304	N	96.7	Very high	97.3	Very high	43 Å²	43	30.4 Å²	30.4	23%	0.23	16%	0.163	C	C	.	.	S	Bend	trans	-134.2	19.3	-175.7	58.1	-25.5	0	0	0	111.4	E254 F301 G375 G376	E254-N304 VanDerWaalsContact CD-ND2 3.28Å; E254-N304 PolarHBondContact OE1-ND2 2.54Å; F301-N304 WeakPolarHBondContact CA-OD1 3.34Å; N304-G375 CarbonylContact O-C 3.5Å; N304-G375 WeakPolarHBondContact O-CA 3.38Å; N304-G376 PolarHBondContact O-N 2.89Å
305	A	97.6	Very high	97.1	Very high	24 Å²	24	33.3 Å²	33.3	20%	0.198	18%	0.18	C	C	.	.			trans	-67.4	148	165.9	0	0	0	0	0	109.6	T298 F301 P347	T298-A305 HydrophobicContact CG2-CB 4.23Å; F301-A305 HydrophobicContact CB-CB 4.05Å; F301-A305 WeakPolarHBondContact O-CB 3.42Å; A305-P347 HydrophobicContact CB-CB 3.99Å
306	P	97.7	Very high	96.8	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.019	18%	0.175	C	C	.	.			trans	-64.2	154.9	172.9	29.2	-35.6	0	0	0	111.2	L345 I371 D374 G376 V377	P306-L345 HydrophobicContact CG-CD1 3.8Å; P306-I371 HydrophobicContact CB-CB 3.74Å; P306-I371 HydrophobicContact CB-CD1 4.42Å; P306-I371 HydrophobicContact CB-CG1 4.46Å; P306-I371 HydrophobicContact CB-CG2 4.33Å; P306-I371 HydrophobicContact CG-CB 4.01Å; P306-I371 HydrophobicContact CG-CG2 4.04Å; P306-D374 WeakPolarHBondContact CA-O 3.37Å; P306-G376 WeakPolarHBondContact CD-O 3.06Å; P306-V377 HydrophobicContact CG-CG2 4.06Å
307	D	97.6	Very high	96.4	Very high	30 Å²	30	35.3 Å²	35.3	16%	0.16	19%	0.194	C	C	.	.	S	Bend	trans	-70.2	-45.2	179.7	-171.2	77.6	0	0	0	112	L273 K344 L345 V372	L273-D307 HydrophobicContact CB-CB 4.33Å; L273-D307 WeakPolarHBondContact CB-OD2 3.12Å; L273-D307 HydrophobicContact CD1-CB 3.64Å; L273-D307 VanDerWaalsContact CD1-OD1 3.32Å; L273-D307 WeakPolarHBondContact CD1-OD1 3.3Å; L273-D307 HydrophobicContact CG-CB 4.13Å; L273-D307 WeakPolarHBondContact CG-OD1 3.4Å; L273-D307 PolarHBondContact N-OD2 2.99Å; D307-K344 WeakPolarHBondContact O-CD 3.47Å; D307-K344 WeakPolarHBondContact OD1-CE 3.42Å; D307-K344 IonicContact OD1-NZ 3.78Å; D307-K344 PolarHBondContact OD1-NZ 3.03Å; D307-K344 IonicContact OD2-NZ 3.14Å; D307-K344 PolarHBondContact OD2-NZ 3.07Å; D307-L345 PolarHBondContact O-N 2.83Å; D307-V372 VanDerWaalsContact CB-O 3.28Å; D307-V372 WeakPolarHBondContact CB-O 3.3Å; D307-V372 PolarHBondContact N-O 2.9Å
308	S	97.9	Very high	96	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.007	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	164.5	179.1	60.1	0	0	0	0	110.8	T343 V372	S308-T343 CarbonylContact C-O 3.59Å; S308-T343 WeakPolarHBondContact CA-O 3.2Å; S308-T343 VanDerWaalsContact CB-O 3.24Å; S308-T343 WeakPolarHBondContact CB-O 3.39Å; S308-V372 PolarHBondContact N-O 2.83Å; S308-V372 PolarHBondContact O-N 3.12Å
309	C	98.3	Very high	95.6	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.007	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	168.9	171.9	73.7	0	0	0	0	111.4	V342 T343 L345 L369 T370 I371	C309-V342 CarbonylContact O-C 3.54Å; C309-V342 WeakPolarHBondContact O-CA 3.17Å; C309-T343 PolarHBondContact N-O 3.31Å; C309-T343 PolarHBondContact O-N 2.84Å; C309-L345 HydrophobicContact CB-CD1 3.73Å; C309-L345 HydrophobicContact CB-CG 4.44Å; C309-L369 HydrophobicContact CB-CD1 4.16Å; C309-T370 CarbonylContact C-O 3.56Å; C309-T370 WeakPolarHBondContact CA-O 3.19Å; C309-T370 VanDerWaalsContact CB-O 3.3Å; C309-T370 WeakPolarHBondContact CB-O 3.24Å; C309-I371 HydrophobicContact CB-CG2 4.26Å
310	K	97.4	Very high	95.3	Very high	68 Å²	68	43.1 Å²	43.1	30%	0.296	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	159.6	162.6	63.1	167.9	-173.4	144.9	0	109.7	D312 L340 V342 T370	K310-D312 VanDerWaalsContact CE-OD2 3.31Å; K310-D312 WeakPolarHBondContact CE-OD2 3.48Å; K310-D312 IonicContact NZ-OD1 3.83Å; K310-D312 IonicContact NZ-OD2 3.61Å; K310-D312 PolarHBondContact NZ-OD2 3.25Å; K310-L340 WeakPolarHBondContact CB-O 3.31Å; K310-V342 HydrophobicContact CB-CG2 4.43Å; K310-V342 HydrophobicContact CD-CG2 4.38Å; K310-T370 HydrophobicContact CG-CG2 4.47Å; K310-T370 PolarHBondContact N-O 3.34Å; K310-T370 PolarHBondContact O-N 3.22Å
311	V	97.9	Very high	95.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	125.6	175.5	-172.5	0	0	0	0	109	I294 I296 L339 L340 A367 R368 L369 L382	I294-V311 HydrophobicContact CD1-CB 4.3Å; I294-V311 HydrophobicContact CG2-CG2 4.1Å; I296-V311 HydrophobicContact CD1-CG2 4.27Å; V311-L339 HydrophobicContact CB-CB 4.4Å; V311-L339 HydrophobicContact CG1-CB 4.29Å; V311-L339 HydrophobicContact CG1-CD1 4.03Å; V311-L339 WeakPolarHBondContact O-CA 3.47Å; V311-L339 WeakPolarHBondContact O-CB 3.37Å; V311-L339 PolarHBondContact O-N 2.83Å; V311-L340 HydrophobicContact CB-CB 3.87Å; V311-L340 HydrophobicContact CG2-CB 4.08Å; V311-L340 HydrophobicContact CG2-CD2 4.1Å; V311-L340 PolarHBondContact N-O 3.46Å; V311-L340 VanDerWaalsContact N-O 3.09Å; V311-L340 PolarHBondContact O-N 3.38Å; V311-A367 HydrophobicContact CG1-CB 4.48Å; V311-R368 WeakPolarHBondContact CA-O 3.09Å; V311-L369 HydrophobicContact CG2-CD1 3.93Å; V311-L382 HydrophobicContact CG1-CD2 4.28Å
312	D	96.1	Very high	94.8	Very high	14 Å²	14	43.6 Å²	43.6	8%	0.075	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	149.4	175.4	-63	-59.5	0	0	0	109.5	K310 W336 K337 A367 R368	K310-D312 VanDerWaalsContact CE-OD2 3.31Å; K310-D312 WeakPolarHBondContact CE-OD2 3.48Å; K310-D312 IonicContact NZ-OD1 3.83Å; K310-D312 IonicContact NZ-OD2 3.61Å; K310-D312 PolarHBondContact NZ-OD2 3.25Å; D312-W336 HydrophobicContact CB-CB 4.07Å; D312-W336 HydrophobicContact CB-CD2 4.16Å; D312-W336 HydrophobicContact CB-CE3 3.7Å; D312-W336 HydrophobicContact CB-CG 4.35Å; D312-K337 CarbonylContact C-O 3.55Å; D312-K337 WeakPolarHBondContact CA-O 3.39Å; D312-A367 CarbonylContact O-C 3.55Å; D312-A367 VanDerWaalsContact O-CA 3.25Å; D312-A367 WeakPolarHBondContact O-CA 3.44Å; D312-R368 PolarHBondContact N-O 3.19Å; D312-R368 PolarHBondContact O-N 2.93Å
313	G	95	Very high	94.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	152.4	178.1	0	0	0	0	0	111.6	K337 H366	G313-K337 PolarHBondContact N-O 3.44Å; G313-K337 PolarHBondContact O-N 2.7Å; G313-H366 CarbonylContact C-O 3.49Å; G313-H366 VanDerWaalsContact CA-O 3.3Å; G313-H366 WeakPolarHBondContact CA-O 3.44Å
314	C	93.5	Very high	94.2	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.02	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	167.4	172.5	70.8	0	0	0	0	111.9	L331 K335 W336 T365 H366	C314-L331 HydrophobicContact CB-CD2 4.24Å; C314-K335 VanDerWaalsContact CB-O 3.28Å; C314-K335 WeakPolarHBondContact CB-O 3.28Å; C314-W336 HydrophobicContact CB-CD2 4.35Å; C314-W336 HydrophobicContact CB-CE3 3.82Å; C314-W336 HydrophobicContact CB-CZ3 3.94Å; C314-W336 WeakPolarHBondContact SG-CZ3 3.18Å; C314-T365 PolarHBondContact O-N 3.32Å; C314-H366 PolarHBondContact N-O 3.2Å; C314-H366 PolarHBondContact O-N 3Å
315	V	93.1	Very high	93.7	Very high	60 Å²	60	37.2 Å²	37.2	36%	0.364	20%	0.198	S	C	.	.			trans	-112.4	118.1	174.1	179.6	0	0	0	0	107.9	V363 T365 L391	V315-V363 WeakPolarHBondContact CG2-O 3.41Å; V315-T365 HydrophobicContact CG1-CG2 4.35Å; V315-L391 HydrophobicContact CG1-CD1 3.35Å
316	L	91.6	Very high	93.3	Very high	7 Å²	7	41.4 Å²	41.4	4%	0.037	21%	0.211	C	C	.	.			trans	-129	141.6	173.3	-55.5	173.3	0	0	0	109.5	E320 M324 W329 L331 T365	L316-E320 HydrophobicContact CB-CB 4.03Å; L316-E320 HydrophobicContact CD2-CB 3.99Å; L316-M324 HydrophobicContact CD1-CG 4.11Å; L316-W329 HydrophobicContact CD1-CH2 3.97Å; L316-W329 HydrophobicContact CD1-CZ3 3.67Å; L316-L331 HydrophobicContact CD2-CD1 4.26Å; L316-L331 HydrophobicContact CD2-CD2 4.45Å; L316-T365 PolarHBondContact N-OG1 2.51Å; L316-T365 PolarHBondContact O-OG1 3.16Å; L316-T365 VanDerWaalsContact O-OG1 3.08Å
317	T	91.1	Very high	92.9	Very high	65 Å²	65	46 Å²	46	40%	0.399	23%	0.233	S	C	.	.			trans	-72.8	167.7	161.6	61.2	0	0	0	0	110.7	Q319 E320 E321	T317-Q319 VanDerWaalsContact C-N 3.28Å; T317-Q319 PolarHBondContact O-N 3.23Å; T317-E320 WeakPolarHBondContact CB-OE2 3.35Å; T317-E320 WeakPolarHBondContact CG2-OE2 3.4Å; T317-E320 PolarHBondContact N-OE2 3.23Å; T317-E320 PolarHBondContact O-N 3.38Å; T317-E320 WeakPolarHBondContact OG1-CG 3.35Å; T317-E320 PolarHBondContact OG1-N 2.82Å; T317-E320 PolarHBondContact OG1-OE2 3.08Å; T317-E321 PolarHBondContact O-N 3.26Å
318	T	89	Confident	92.4	Very high	93 Å²	93	50.5 Å²	50.5	57%	0.571	25%	0.251	S	S	*	.	H	α-helix	trans	-58.1	-39.6	175	-53.7	0	0	0	0	112.4	E321 E322	T318-E321 PolarHBondContact O-N 2.94Å; T318-E322 WeakPolarHBondContact O-CG 3.45Å; T318-E322 PolarHBondContact O-N 2.85Å; T318-E322 VanDerWaalsContact O-N 3.11Å
319	Q	90.7	Very high	92.1	Very high	102 Å²	102	50.9 Å²	50.9	48%	0.477	25%	0.252	S	S	.	.	H	α-helix	trans	-68	-41	179	-170.5	60.6	71	0	0	111.9	T317 E321 E322 D323	T317-Q319 VanDerWaalsContact C-N 3.28Å; T317-Q319 PolarHBondContact O-N 3.23Å; Q319-E321 VanDerWaalsContact C-N 3.35Å; Q319-E322 PolarHBondContact NE2-OE2 2.77Å; Q319-E322 PolarHBondContact O-N 2.93Å; Q319-D323 PolarHBondContact O-N 3.35Å
320	E	92.6	Very high	91.5	Very high	69 Å²	69	57.1 Å²	57.1	32%	0.322	28%	0.284	S	S	.	.	H	α-helix	trans	-65.2	-37.5	176.3	-71.9	167.6	129.5	0	0	111.7	L316 T317 D323 M324	L316-E320 HydrophobicContact CB-CB 4.03Å; L316-E320 HydrophobicContact CD2-CB 3.99Å; T317-E320 WeakPolarHBondContact CB-OE2 3.35Å; T317-E320 WeakPolarHBondContact CG2-OE2 3.4Å; T317-E320 PolarHBondContact N-OE2 3.23Å; T317-E320 PolarHBondContact O-N 3.38Å; T317-E320 WeakPolarHBondContact OG1-CG 3.35Å; T317-E320 PolarHBondContact OG1-N 2.82Å; T317-E320 PolarHBondContact OG1-OE2 3.08Å; E320-D323 PolarHBondContact O-N 3.08Å; E320-M324 WeakPolarHBondContact O-CB 3.49Å; E320-M324 VanDerWaalsContact O-CG 3.28Å; E320-M324 WeakPolarHBondContact O-CG 3.42Å; E320-M324 PolarHBondContact O-N 2.8Å
321	E	92.2	Very high	91	Very high	22 Å²	22	55 Å²	55	10%	0.103	28%	0.276	C	S	.	.	H	α-helix	trans	-58.6	-49.8	172.2	-176	-169.4	88.1	0	0	110.9	R284 T317 T318 Q319 D323 M324 I325 W329 H366	R284-E321 WeakPolarHBondContact CD-OE2 3.43Å; R284-E321 IonicContact NE-OE1 3.24Å; R284-E321 IonicContact NE-OE2 2.55Å; R284-E321 PolarHBondContact NE-OE2 3.35Å; T317-E321 PolarHBondContact O-N 3.26Å; T318-E321 PolarHBondContact O-N 2.94Å; Q319-E321 VanDerWaalsContact C-N 3.35Å; E321-D323 VanDerWaalsContact C-N 3.26Å; E321-D323 PolarHBondContact O-N 3.06Å; E321-M324 PolarHBondContact O-N 2.98Å; E321-M324 VanDerWaalsContact O-N 3.12Å; E321-I325 HydrophobicContact CG-CD1 4.17Å; E321-I325 WeakPolarHBondContact O-CG1 3.48Å; E321-I325 PolarHBondContact O-N 3.27Å; E321-W329 HydrophobicContact CG-CH2 4.34Å; E321-W329 HydrophobicContact CG-CZ2 4.33Å; E321-H366 IonicContact OE2-CD2 3.82Å; E321-H366 IonicContact OE2-CE1 3.94Å; E321-H366 IonicContact OE2-NE2 2.76Å; E321-H366 PolarHBondContact OE2-NE2 2.75Å
322	E	90.3	Very high	90.4	Very high	79 Å²	79	58.2 Å²	58.2	37%	0.369	30%	0.297	S	S	.	.	H	α-helix	trans	-58	-39.5	178.2	-72.6	-179.2	-178.1	0	0	112.5	T318 Q319 I325 K326	T318-E322 WeakPolarHBondContact O-CG 3.45Å; T318-E322 PolarHBondContact O-N 2.85Å; T318-E322 VanDerWaalsContact O-N 3.11Å; Q319-E322 PolarHBondContact NE2-OE2 2.77Å; Q319-E322 PolarHBondContact O-N 2.93Å; E322-I325 PolarHBondContact O-N 2.8Å; E322-K326 WeakPolarHBondContact O-CG 3.46Å; E322-K326 PolarHBondContact O-N 2.73Å
323	D	90.8	Very high	89.8	Confident	54 Å²	54	61.5 Å²	61.5	29%	0.289	33%	0.326	S	S	.	.	H	α-helix	trans	-71.2	-37.3	178	-68.3	-20.1	0	0	0	111.5	Q319 E320 E321 I325 K326 Q327	Q319-D323 PolarHBondContact O-N 3.35Å; E320-D323 PolarHBondContact O-N 3.08Å; E321-D323 VanDerWaalsContact C-N 3.26Å; E321-D323 PolarHBondContact O-N 3.06Å; D323-I325 VanDerWaalsContact C-N 3.35Å; D323-K326 PolarHBondContact O-N 2.89Å; D323-K326 IonicContact OD1-NZ 3.54Å; D323-K326 PolarHBondContact OD1-NZ 2.91Å; D323-Q327 WeakPolarHBondContact O-CB 3.45Å; D323-Q327 VanDerWaalsContact O-CG 3.26Å; D323-Q327 WeakPolarHBondContact O-CG 3.38Å; D323-Q327 PolarHBondContact O-N 2.92Å
324	M	90.5	Very high	89.3	Confident	16 Å²	16	68.8 Å²	68.8	8%	0.079	36%	0.36	C	S	.	.	H	α-helix	trans	-64.8	-37.7	173.6	-72	-53.5	96.7	0	0	112.4	L316 E320 E321 K326 Q327 K328 W329 L331	L316-M324 HydrophobicContact CD1-CG 4.11Å; E320-M324 WeakPolarHBondContact O-CB 3.49Å; E320-M324 VanDerWaalsContact O-CG 3.28Å; E320-M324 WeakPolarHBondContact O-CG 3.42Å; E320-M324 PolarHBondContact O-N 2.8Å; E321-M324 PolarHBondContact O-N 2.98Å; E321-M324 VanDerWaalsContact O-N 3.12Å; M324-K326 VanDerWaalsContact C-N 3.33Å; M324-K326 PolarHBondContact O-N 2.78Å; M324-Q327 HydrophobicContact CE-CB 4.5Å; M324-Q327 CarbonylContact O-C 3.58Å; M324-Q327 PolarHBondContact O-N 2.96Å; M324-K328 PolarHBondContact O-N 2.95Å; M324-W329 HydrophobicContact CB-CD2 4.06Å; M324-W329 HydrophobicContact CB-CE3 3.92Å; M324-W329 HydrophobicContact CB-CH2 4.29Å; M324-W329 HydrophobicContact CB-CZ2 4.39Å; M324-W329 HydrophobicContact CB-CZ3 4.04Å; M324-W329 HydrophobicContact CG-CE3 4.36Å; M324-W329 HydrophobicContact CG-CZ3 4.35Å; M324-W329 PolarHBondContact O-N 3.32Å; M324-L331 HydrophobicContact CE-CD1 4.34Å; M324-L331 HydrophobicContact CG-CD1 4.26Å; M324-L331 HydrophobicContact SD-CB 3.82Å; M324-L331 HydrophobicContact SD-CD1 3.49Å; M324-L331 WeakPolarHBondContact SD-CD1 3.28Å; M324-L331 HydrophobicContact SD-CG 4.25Å
325	I	87.6	Confident	89.1	Confident	71 Å²	71	73 Å²	73	36%	0.364	38%	0.378	S	S	.	.	H	α-helix	trans	-59.8	-45.3	173.4	-68.4	166.2	0	0	0	110.3	E321 E322 D323 Q327 K328 W329	E321-I325 HydrophobicContact CG-CD1 4.17Å; E321-I325 WeakPolarHBondContact O-CG1 3.48Å; E321-I325 PolarHBondContact O-N 3.27Å; E322-I325 PolarHBondContact O-N 2.8Å; D323-I325 VanDerWaalsContact C-N 3.35Å; I325-Q327 VanDerWaalsContact C-N 3.3Å; I325-Q327 PolarHBondContact O-N 2.84Å; I325-K328 PolarHBondContact O-N 2.75Å; I325-W329 HydrophobicContact CG1-CZ2 4.38Å
326	K	88.3	Confident	89	Confident	111 Å²	111	71.3 Å²	71.3	48%	0.483	37%	0.365	S	S	.	.	H	α-helix	trans	-65.5	-33.6	176.9	-65.4	166.5	-162.7	154.6	0	112.4	L10 E322 D323 M324 K328	L10-K326 HydrophobicContact CD1-CG 4.36Å; E322-K326 WeakPolarHBondContact O-CG 3.46Å; E322-K326 PolarHBondContact O-N 2.73Å; D323-K326 PolarHBondContact O-N 2.89Å; D323-K326 IonicContact OD1-NZ 3.54Å; D323-K326 PolarHBondContact OD1-NZ 2.91Å; M324-K326 VanDerWaalsContact C-N 3.33Å; M324-K326 PolarHBondContact O-N 2.78Å; K326-K328 VanDerWaalsContact C-N 3.32Å
327	Q	89.5	Confident	89	Confident	101 Å²	101	74.9 Å²	74.9	47%	0.472	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	12.9	-179.6	-65.1	175.4	32	0	0	113.4	D323 M324 I325 W329 I330	D323-Q327 WeakPolarHBondContact O-CB 3.45Å; D323-Q327 VanDerWaalsContact O-CG 3.26Å; D323-Q327 WeakPolarHBondContact O-CG 3.38Å; D323-Q327 PolarHBondContact O-N 2.92Å; M324-Q327 HydrophobicContact CE-CB 4.5Å; M324-Q327 CarbonylContact O-C 3.58Å; M324-Q327 PolarHBondContact O-N 2.96Å; I325-Q327 VanDerWaalsContact C-N 3.3Å; I325-Q327 PolarHBondContact O-N 2.84Å; Q327-W329 PolarHBondContact O-N 3.49Å; Q327-I330 VanDerWaalsContact O-CG1 3.31Å; Q327-I330 WeakPolarHBondContact O-CG1 3.33Å; Q327-I330 PolarHBondContact O-N 2.64Å
328	K	88	Confident	89.1	Confident	124 Å²	124	75.6 Å²	75.6	54%	0.539	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	40	178.9	-55.4	-171.5	175.9	-161.8	0	113.5	E7 M324 I325 K326 I330	E7-K328 IonicContact OE2-NZ 3.82Å; M324-K328 PolarHBondContact O-N 2.95Å; I325-K328 PolarHBondContact O-N 2.75Å; K326-K328 VanDerWaalsContact C-N 3.32Å; K328-I330 PolarHBondContact O-N 3.26Å
329	W	90.6	Very high	89.4	Confident	8 Å²	8	71.1 Å²	71.1	3%	0.03	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	28.6	177.9	-70.7	91.6	0	0	0	114.9	V227 W280 V282 L316 E321 M324 I325 Q327 L331 W336 H366	V227-W329 HydrophobicContact CB-CZ2 3.77Å; V227-W329 HydrophobicContact CG2-CH2 3.65Å; V227-W329 HydrophobicContact CG2-CZ2 3.21Å; V227-W329 PolarHBondContact O-NE1 2.82Å; W280-W329 HydrophobicContact CH2-CB 3.64Å; W280-W329 HydrophobicContact CH2-CG 4.06Å; W280-W329 HydrophobicContact CZ2-CB 4.41Å; W280-W329 HydrophobicContact CZ3-CB 3.85Å; W280-W329 AromaticContact CZ3-CG 4Å; W280-W329 HydrophobicContact CZ3-CG 4Å; V282-W329 HydrophobicContact CB-CD2 4.05Å; V282-W329 HydrophobicContact CB-CE3 4.11Å; V282-W329 HydrophobicContact CB-CH2 4.34Å; V282-W329 HydrophobicContact CB-CZ2 4.3Å; V282-W329 HydrophobicContact CB-CZ3 4.25Å; V282-W329 HydrophobicContact CG1-CD2 4.17Å; V282-W329 HydrophobicContact CG1-CE3 3.78Å; V282-W329 HydrophobicContact CG1-CH2 3.56Å; V282-W329 HydrophobicContact CG1-CZ2 3.98Å; V282-W329 HydrophobicContact CG1-CZ3 3.46Å; V282-W329 VanDerWaalsContact CG1-CZ3 3.46Å; V282-W329 HydrophobicContact CG2-CD2 3.84Å; V282-W329 HydrophobicContact CG2-CE3 3.83Å; V282-W329 HydrophobicContact CG2-CG 4.16Å; V282-W329 HydrophobicContact CG2-CZ3 4.38Å; L316-W329 HydrophobicContact CD1-CH2 3.97Å; L316-W329 HydrophobicContact CD1-CZ3 3.67Å; E321-W329 HydrophobicContact CG-CH2 4.34Å; E321-W329 HydrophobicContact CG-CZ2 4.33Å; M324-W329 HydrophobicContact CB-CD2 4.06Å; M324-W329 HydrophobicContact CB-CE3 3.92Å; M324-W329 HydrophobicContact CB-CH2 4.29Å; M324-W329 HydrophobicContact CB-CZ2 4.39Å; M324-W329 HydrophobicContact CB-CZ3 4.04Å; M324-W329 HydrophobicContact CG-CE3 4.36Å; M324-W329 HydrophobicContact CG-CZ3 4.35Å; M324-W329 PolarHBondContact O-N 3.32Å; I325-W329 HydrophobicContact CG1-CZ2 4.38Å; Q327-W329 PolarHBondContact O-N 3.49Å; W329-L331 PolarHBondContact O-N 3.4Å; W329-W336 HydrophobicContact CE3-CZ2 4.27Å; W329-W336 HydrophobicContact CZ3-CH2 4.44Å; W329-H366 AromaticContact CH2-CD2 3.9Å
330	I	86.7	Confident	89.6	Confident	132 Å²	132	66.5 Å²	66.5	68%	0.677	34%	0.337	S	S	*	.			trans	-78.4	75	169.4	-55	170.6	0	0	0	108.8	Q327 K328	Q327-I330 VanDerWaalsContact O-CG1 3.31Å; Q327-I330 WeakPolarHBondContact O-CG1 3.33Å; Q327-I330 PolarHBondContact O-N 2.64Å; K328-I330 PolarHBondContact O-N 3.26Å
331	L	85.2	Confident	89.7	Confident	23 Å²	23	66.3 Å²	66.3	12%	0.12	34%	0.342	C	S	.	.			trans	-91.1	137.2	175.7	-172.8	72.8	0	0	0	110	C314 L316 M324 W329 A333 K335 W336	C314-L331 HydrophobicContact CB-CD2 4.24Å; L316-L331 HydrophobicContact CD2-CD1 4.26Å; L316-L331 HydrophobicContact CD2-CD2 4.45Å; M324-L331 HydrophobicContact CE-CD1 4.34Å; M324-L331 HydrophobicContact CG-CD1 4.26Å; M324-L331 HydrophobicContact SD-CB 3.82Å; M324-L331 HydrophobicContact SD-CD1 3.49Å; M324-L331 WeakPolarHBondContact SD-CD1 3.28Å; M324-L331 HydrophobicContact SD-CG 4.25Å; W329-L331 PolarHBondContact O-N 3.4Å; L331-A333 PolarHBondContact O-N 3.09Å; L331-K335 HydrophobicContact CD1-CB 4.16Å; L331-K335 HydrophobicContact CD1-CG 4.21Å; L331-K335 HydrophobicContact CD2-CB 3.6Å; L331-K335 HydrophobicContact CG-CB 3.74Å; L331-K335 HydrophobicContact CG-CG 4.27Å; L331-W336 HydrophobicContact CB-CZ2 4.48Å; L331-W336 HydrophobicContact CD2-CD2 4.19Å; L331-W336 HydrophobicContact CD2-CG 4.43Å; L331-W336 HydrophobicContact CD2-CZ2 3.95Å
332	P	86.4	Confident	89.9	Confident	68 Å²	68	69.1 Å²	69.1	44%	0.442	36%	0.36	S	S	.	.			trans	-54	135.5	175.9	-27.3	35.7	0	0	0	112.3	H334 K335	P332-H334 WeakPolarHBondContact CB-CE1 3.49Å; P332-H334 PolarHBondContact O-N 2.94Å; P332-H334 VanDerWaalsContact O-N 3.07Å; P332-K335 WeakPolarHBondContact O-CB 3.47Å; P332-K335 PolarHBondContact O-N 2.97Å
333	A	83.8	Confident	90.2	Very high	84 Å²	84	66.6 Å²	66.6	69%	0.694	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-54	-36.1	-172.6	0	0	0	0	0	113.9	L331 K335 W336	L331-A333 PolarHBondContact O-N 3.09Å; A333-K335 PolarHBondContact O-N 2.94Å; A333-W336 PolarHBondContact O-N 2.9Å; A333-W336 VanDerWaalsContact O-N 3.09Å
334	H	83	Confident	90.6	Very high	152 Å²	152	67.8 Å²	67.8	70%	0.704	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-66.6	-15.4	179.8	68.4	-93.4	0	0	0	114.6	P332	P332-H334 WeakPolarHBondContact CB-CE1 3.49Å; P332-H334 PolarHBondContact O-N 2.94Å; P332-H334 VanDerWaalsContact O-N 3.07Å
335	K	89.4	Confident	90.9	Very high	91 Å²	91	67.4 Å²	67.4	40%	0.396	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-81.6	-21.3	174.6	-72.3	-81.7	-171.8	163	0	112.3	C314 L331 P332 A333	C314-K335 VanDerWaalsContact CB-O 3.28Å; C314-K335 WeakPolarHBondContact CB-O 3.28Å; L331-K335 HydrophobicContact CD1-CB 4.16Å; L331-K335 HydrophobicContact CD1-CG 4.21Å; L331-K335 HydrophobicContact CD2-CB 3.6Å; L331-K335 HydrophobicContact CG-CB 3.74Å; L331-K335 HydrophobicContact CG-CG 4.27Å; P332-K335 WeakPolarHBondContact O-CB 3.47Å; P332-K335 PolarHBondContact O-N 2.97Å; A333-K335 PolarHBondContact O-N 2.94Å
336	W	91.6	Very high	91.4	Very high	25 Å²	25	66.5 Å²	66.5	10%	0.095	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-85	124.1	173.6	-71.2	109.5	0	0	0	109.5	V282 D312 C314 W329 L331 A333 R368	V282-W336 HydrophobicContact CG1-CH2 4.05Å; V282-W336 HydrophobicContact CG2-CH2 4.27Å; D312-W336 HydrophobicContact CB-CB 4.07Å; D312-W336 HydrophobicContact CB-CD2 4.16Å; D312-W336 HydrophobicContact CB-CE3 3.7Å; D312-W336 HydrophobicContact CB-CG 4.35Å; C314-W336 HydrophobicContact CB-CD2 4.35Å; C314-W336 HydrophobicContact CB-CE3 3.82Å; C314-W336 HydrophobicContact CB-CZ3 3.94Å; C314-W336 WeakPolarHBondContact SG-CZ3 3.18Å; W329-W336 HydrophobicContact CE3-CZ2 4.27Å; W329-W336 HydrophobicContact CZ3-CH2 4.44Å; L331-W336 HydrophobicContact CB-CZ2 4.48Å; L331-W336 HydrophobicContact CD2-CD2 4.19Å; L331-W336 HydrophobicContact CD2-CG 4.43Å; L331-W336 HydrophobicContact CD2-CZ2 3.95Å; A333-W336 PolarHBondContact O-N 2.9Å; A333-W336 VanDerWaalsContact O-N 3.09Å; W336-R368 HydrophobicContact CE3-CB 4.15Å; W336-R368 HydrophobicContact CH2-CB 3.6Å; W336-R368 HydrophobicContact CZ2-CB 4.19Å; W336-R368 HydrophobicContact CZ3-CB 3.57Å
337	K	91.8	Very high	91.8	Very high	83 Å²	83	64.7 Å²	64.7	36%	0.361	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	127	172.3	-64.5	-175	175.2	-173.8	0	108.8	D312 G313 L339 D362	D312-K337 CarbonylContact C-O 3.55Å; D312-K337 WeakPolarHBondContact CA-O 3.39Å; G313-K337 PolarHBondContact N-O 3.44Å; G313-K337 PolarHBondContact O-N 2.7Å; K337-L339 PolarHBondContact O-N 3.35Å; K337-D362 IonicContact NZ-OD1 3.99Å; K337-D362 PolarHBondContact NZ-OD1 3.1Å
338	P	93.6	Very high	92.2	Very high	79 Å²	79	63.2 Å²	63.2	51%	0.513	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	124.8	178.2	27.6	-33.5	0	0	0	110.5	L356	P338-L356 HydrophobicContact CB-CD1 4.29Å
339	L	94.7	Very high	92.7	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	-33.4	174	-53.7	-179.4	0	0	0	111.9	I291 I294 V311 K337 S355 L356 T357 I364	I291-L339 HydrophobicContact CG1-CD1 4.35Å; I294-L339 HydrophobicContact CD1-CB 3.81Å; V311-L339 HydrophobicContact CB-CB 4.4Å; V311-L339 HydrophobicContact CG1-CB 4.29Å; V311-L339 HydrophobicContact CG1-CD1 4.03Å; V311-L339 WeakPolarHBondContact O-CA 3.47Å; V311-L339 WeakPolarHBondContact O-CB 3.37Å; V311-L339 PolarHBondContact O-N 2.83Å; K337-L339 PolarHBondContact O-N 3.35Å; L339-S355 WeakPolarHBondContact O-CA 3.47Å; L339-S355 PolarHBondContact O-OG 3.11Å; L339-L356 PolarHBondContact O-N 3.04Å; L339-T357 HydrophobicContact CD2-CG2 3.44Å; L339-T357 VanDerWaalsContact CD2-CG2 3.44Å; L339-I364 HydrophobicContact CD1-CD1 3.43Å; L339-I364 VanDerWaalsContact CD1-CD1 3.43Å; L339-I364 HydrophobicContact CD2-CD1 4.39Å; L339-I364 HydrophobicContact CD2-CG2 4.45Å
340	L	95.8	Very high	93	Very high	5 Å²	5	63.5 Å²	63.5	3%	0.026	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	122.7	172.9	-177.4	72.7	0	0	0	107.5	I294 K310 V311 F353	I294-L340 HydrophobicContact CD1-CB 3.83Å; I294-L340 HydrophobicContact CG2-CD2 4.41Å; K310-L340 WeakPolarHBondContact CB-O 3.31Å; V311-L340 HydrophobicContact CB-CB 3.87Å; V311-L340 HydrophobicContact CG2-CB 4.08Å; V311-L340 HydrophobicContact CG2-CD2 4.1Å; V311-L340 PolarHBondContact N-O 3.46Å; V311-L340 VanDerWaalsContact N-O 3.09Å; V311-L340 PolarHBondContact O-N 3.38Å; L340-F353 HydrophobicContact CD1-CB 3.6Å; L340-F353 HydrophobicContact CD1-CD1 4.24Å; L340-F353 HydrophobicContact CD1-CD2 3.89Å; L340-F353 HydrophobicContact CD1-CG 3.65Å; L340-F353 HydrophobicContact CD2-CD2 3.9Å; L340-F353 HydrophobicContact CD2-CE2 4.17Å
341	P	95.1	Very high	93.5	Very high	65 Å²	65	58.1 Å²	58.1	42%	0.422	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	175.5	176.5	32.4	-32.2	0	0	0	110.3	T343 L356	P341-T343 PolarHBondContact O-N 3.03Å; P341-T343 PolarHBondContact O-OG1 2.76Å; P341-L356 HydrophobicContact CB-CD1 4.42Å; P341-L356 HydrophobicContact CG-CD1 4.27Å
342	V	96.3	Very high	94.1	Very high	81 Å²	81	61.8 Å²	61.8	49%	0.491	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	118.7	174.8	-175.2	0	0	0	0	109	I272 C309 K310	I272-V342 HydrophobicContact CD1-CG1 4.05Å; I272-V342 HydrophobicContact CG2-CG1 4.17Å; C309-V342 CarbonylContact O-C 3.54Å; C309-V342 WeakPolarHBondContact O-CA 3.17Å; K310-V342 HydrophobicContact CB-CG2 4.43Å; K310-V342 HydrophobicContact CD-CG2 4.38Å
343	T	96.6	Very high	94.6	Very high	25 Å²	25	60.7 Å²	60.7	15%	0.153	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	128.7	-170.2	-57.9	0	0	0	0	109.4	S308 C309 P341 F353	S308-T343 CarbonylContact C-O 3.59Å; S308-T343 WeakPolarHBondContact CA-O 3.2Å; S308-T343 VanDerWaalsContact CB-O 3.24Å; S308-T343 WeakPolarHBondContact CB-O 3.39Å; C309-T343 PolarHBondContact N-O 3.31Å; C309-T343 PolarHBondContact O-N 2.84Å; P341-T343 PolarHBondContact O-N 3.03Å; P341-T343 PolarHBondContact O-OG1 2.76Å; T343-F353 HydrophobicContact CG2-CD1 4.35Å; T343-F353 HydrophobicContact CG2-CE1 3.55Å; T343-F353 HydrophobicContact CG2-CE2 4.3Å; T343-F353 HydrophobicContact CG2-CZ 3.49Å; T343-F353 VanDerWaalsContact CG2-CZ 3.49Å
344	K	97.4	Very high	95.1	Very high	79 Å²	79	62.6 Å²	62.6	34%	0.343	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	139.1	175.6	-168.5	77.1	-171.2	-169.5	0	110.5	G271 I272 D307	G271-K344 WeakPolarHBondContact O-CE 3.44Å; G271-K344 PolarHBondContact O-NZ 2.85Å; I272-K344 HydrophobicContact CG1-CB 4.5Å; I272-K344 HydrophobicContact CG1-CD 4.33Å; D307-K344 WeakPolarHBondContact O-CD 3.47Å; D307-K344 WeakPolarHBondContact OD1-CE 3.42Å; D307-K344 IonicContact OD1-NZ 3.78Å; D307-K344 PolarHBondContact OD1-NZ 3.03Å; D307-K344 IonicContact OD2-NZ 3.14Å; D307-K344 PolarHBondContact OD2-NZ 3.07Å
345	L	97.7	Very high	95.2	Very high	8 Å²	8	55.7 Å²	55.7	4%	0.042	30%	0.301	C	S	.	.			trans	-113.1	151.7	174.2	-64.3	174.3	0	0	0	110.7	I296 T298 P306 D307 C309 H351 F353	I296-L345 HydrophobicContact CB-CD2 4.26Å; I296-L345 HydrophobicContact CG2-CD1 3.94Å; I296-L345 HydrophobicContact CG2-CD2 3.97Å; T298-L345 HydrophobicContact CG2-CD1 4.3Å; P306-L345 HydrophobicContact CG-CD1 3.8Å; D307-L345 PolarHBondContact O-N 2.83Å; C309-L345 HydrophobicContact CB-CD1 3.73Å; C309-L345 HydrophobicContact CB-CG 4.44Å; L345-H351 HydrophobicContact CD2-CB 4.36Å; L345-F353 HydrophobicContact CD2-CE2 4.46Å; L345-F353 HydrophobicContact CD2-CZ 4.44Å
346	S	97.5	Very high	94.8	Very high	52 Å²	52	55.6 Å²	55.6	36%	0.364	30%	0.304	S	S	.	.			trans	-103.4	146.3	169.1	-69.1	0	0	0	0	110.3	T298 Q349 H351	T298-S346 PolarHBondContact OG1-O 3.04Å; S346-Q349 VanDerWaalsContact CB-OE1 3.28Å; S346-H351 PolarHBondContact N-NE2 2.89Å; S346-H351 PolarHBondContact O-CE1 3.4Å
347	P	97.8	Very high	93.5	Very high	73 Å²	73	54.8 Å²	54.8	47%	0.474	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	148.4	177.1	28.4	-33.9	0	0	0	111.2	F301 K302 A305 Q349	F301-P347 WeakPolarHBondContact O-CB 3.21Å; K302-P347 WeakPolarHBondContact O-CB 3.46Å; A305-P347 HydrophobicContact CB-CB 3.99Å; P347-Q349 VanDerWaalsContact C-N 3.31Å; P347-Q349 PolarHBondContact O-N 2.77Å
348	N	97.9	Very high	91.9	Very high	71 Å²	71	58.5 Å²	58.5	38%	0.38	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	38.6	174	-168.5	59	0	0	0	114.8	T298 Y300 F301 K302	T298-N348 VanDerWaalsContact O-CA 3.29Å; T298-N348 WeakPolarHBondContact O-CA 3.19Å; T298-N348 PolarHBondContact O-N 3.08Å; T298-N348 PolarHBondContact OG1-N 3.2Å; Y300-N348 PolarHBondContact N-OD1 2.85Å; F301-N348 PolarHBondContact O-N 2.93Å; K302-N348 HydrophobicContact CG-CB 3.88Å
349	Q	97.3	Very high	90.1	Very high	96 Å²	96	61.1 Å²	61.1	45%	0.449	33%	0.33	S	S	.	.			trans	-141.2	146.9	-174	179.8	169.8	-3.5	0	0	111.9	T298 S346 P347 H351	T298-Q349 PolarHBondContact N-O 2.66Å; T298-Q349 PolarHBondContact OG1-N 2.85Å; T298-Q349 PolarHBondContact OG1-O 2.9Å; S346-Q349 VanDerWaalsContact CB-OE1 3.28Å; P347-Q349 VanDerWaalsContact C-N 3.31Å; P347-Q349 PolarHBondContact O-N 2.77Å; Q349-H351 PolarHBondContact O-CE1 3.34Å; Q349-H351 PolarHBondContact O-ND1 2.86Å
350	S	97.5	Very high	88.1	Confident	41 Å²	41	68.5 Å²	68.5	29%	0.287	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	133	167.2	176.8	0	0	0	0	110	E295	E295-S350 WeakPolarHBondContact CG-OG 3.44Å; E295-S350 PolarHBondContact OE1-OG 3.46Å
351	H	98.3	Very high	86.3	Confident	19 Å²	19	76.1 Å²	76.1	9%	0.088	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	123.3	-179.5	-46.9	76.7	0	0	0	108.6	E295 I296 L345 S346 Q349 F353	E295-H351 CarbonylContact C-O 3.53Å; E295-H351 VanDerWaalsContact CA-O 3.29Å; E295-H351 WeakPolarHBondContact CA-O 3.44Å; I296-H351 PolarHBondContact N-O 3.46Å; I296-H351 WeakPolarHBondContact O-CB 3.36Å; I296-H351 PolarHBondContact O-N 3.47Å; I296-H351 PolarHBondContact O-ND1 2.89Å; L345-H351 HydrophobicContact CD2-CB 4.36Å; S346-H351 PolarHBondContact N-NE2 2.89Å; S346-H351 PolarHBondContact O-CE1 3.4Å; Q349-H351 PolarHBondContact O-CE1 3.34Å; Q349-H351 PolarHBondContact O-ND1 2.86Å; H351-F353 HydrophobicContact CB-CD2 4.32Å; H351-F353 HydrophobicContact CB-CE1 4.33Å; H351-F353 HydrophobicContact CB-CE2 3.38Å; H351-F353 HydrophobicContact CB-CZ 3.4Å; H351-F353 VanDerWaalsContact CB-CZ 3.4Å
352	L	97.6	Very high	85.5	Confident	101 Å²	101	75.1 Å²	75.1	53%	0.529	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	126.5	177.9	-174	69.5	0	0	0	109	R293 E295	R293-L352 HydrophobicContact CB-CD1 4.37Å; E295-L352 HydrophobicContact CB-CD1 4.26Å
353	F	95.9	Very high	85.2	Confident	45 Å²	45	72 Å²	72	20%	0.197	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	147	-177.9	-53.3	-72.1	0	0	0	110.5	R293 I294 I296 L340 T343 L345 H351	R293-F353 WeakPolarHBondContact CA-O 3.34Å; I294-F353 PolarHBondContact N-O 3.04Å; I294-F353 PolarHBondContact O-N 3.29Å; I296-F353 HydrophobicContact CB-CE2 4.5Å; I296-F353 HydrophobicContact CG1-CE2 4.32Å; L340-F353 HydrophobicContact CD1-CB 3.6Å; L340-F353 HydrophobicContact CD1-CD1 4.24Å; L340-F353 HydrophobicContact CD1-CD2 3.89Å; L340-F353 HydrophobicContact CD1-CG 3.65Å; L340-F353 HydrophobicContact CD2-CD2 3.9Å; L340-F353 HydrophobicContact CD2-CE2 4.17Å; T343-F353 HydrophobicContact CG2-CD1 4.35Å; T343-F353 HydrophobicContact CG2-CE1 3.55Å; T343-F353 HydrophobicContact CG2-CE2 4.3Å; T343-F353 HydrophobicContact CG2-CZ 3.49Å; T343-F353 VanDerWaalsContact CG2-CZ 3.49Å; L345-F353 HydrophobicContact CD2-CE2 4.46Å; L345-F353 HydrophobicContact CD2-CZ 4.44Å; H351-F353 HydrophobicContact CB-CD2 4.32Å; H351-F353 HydrophobicContact CB-CE1 4.33Å; H351-F353 HydrophobicContact CB-CE2 3.38Å; H351-F353 HydrophobicContact CB-CZ 3.4Å; H351-F353 VanDerWaalsContact CB-CZ 3.4Å
354	D	93.4	Very high	85.1	Confident	123 Å²	123	70.8 Å²	70.8	66%	0.658	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.1	140	164.4	-64.8	-46.3	0	0	0	109.2
355	S	86.1	Confident	85	Confident	7 Å²	7	67.6 Å²	67.6	5%	0.049	36%	0.356	C	S	.	.			trans	-77.6	147.4	178.7	-165.6	0	0	0	0	111.3	T292 L339 T357	T292-S355 PolarHBondContact O-N 3.32Å; L339-S355 WeakPolarHBondContact O-CA 3.47Å; L339-S355 PolarHBondContact O-OG 3.11Å; S355-T357 WeakPolarHBondContact CB-OG1 3.37Å; S355-T357 PolarHBondContact O-N 3.09Å; S355-T357 PolarHBondContact OG-OG1 3.19Å
356	L	80.3	Confident	84.9	Confident	89 Å²	89	67.3 Å²	67.3	47%	0.466	36%	0.355	S	S	.	.	S	Bend	trans	-66.8	-12	174	-64.3	-178.2	0	0	0	113.4	P338 L339 P341 L358	P338-L356 HydrophobicContact CB-CD1 4.29Å; L339-L356 PolarHBondContact O-N 3.04Å; P341-L356 HydrophobicContact CB-CD1 4.42Å; P341-L356 HydrophobicContact CG-CD1 4.27Å; L356-L358 PolarHBondContact O-N 2.95Å
357	T	65.9	Low	84.9	Confident	9 Å²	9	64.9 Å²	64.9	6%	0.055	34%	0.338	C	S	.	.			trans	-74.2	71.1	173.1	42.5	0	0	0	0	110.7	I291 L339 S355 E359 D362	I291-T357 PolarHBondContact O-OG1 3.17Å; L339-T357 HydrophobicContact CD2-CG2 3.44Å; L339-T357 VanDerWaalsContact CD2-CG2 3.44Å; S355-T357 WeakPolarHBondContact CB-OG1 3.37Å; S355-T357 PolarHBondContact O-N 3.09Å; S355-T357 PolarHBondContact OG-OG1 3.19Å; T357-E359 VanDerWaalsContact C-N 3.27Å; T357-D362 HydrophobicContact CG2-CB 3.56Å
358	L	56.6	Low	84.9	Confident	161 Å²	161	63.5 Å²	63.5	84%	0.843	32%	0.323	S	S	*	.			trans	-77.2	-14.5	176.6	-73.4	161.9	0	0	0	112.3	L356	L356-L358 PolarHBondContact O-N 2.95Å
359	E	55.6	Low	85	Confident	133 Å²	133	60.1 Å²	60.1	62%	0.621	31%	0.305	S	S	*	.	S	Bend	trans	-102.2	134	178	-62.8	-170.5	-176	0	0	112	T357 Q361 D362	T357-E359 VanDerWaalsContact C-N 3.27Å; E359-Q361 PolarHBondContact O-N 2.91Å; E359-D362 PolarHBondContact O-N 3.12Å
360	L	53.8	Low	85	Confident	155 Å²	155	55.8 Å²	55.8	81%	0.812	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-4.2	178.2	-78.9	155.6	0	0	0	114.7
361	Q	58.6	Low	85	Confident	166 Å²	166	53.8 Å²	53.8	78%	0.776	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-9.6	-176.6	-62.8	-170.9	7.5	0	0	114.1	E359 V363	E359-Q361 PolarHBondContact O-N 2.91Å; Q361-V363 VanDerWaalsContact C-N 3.29Å; Q361-V363 PolarHBondContact O-N 2.75Å; Q361-V363 VanDerWaalsContact O-N 3.08Å
362	D	78.1	Confident	85	Confident	43 Å²	43	54.1 Å²	54.1	23%	0.23	28%	0.275	C	S	.	.			trans	-89.6	58.6	-178.6	-75	-34.8	0	0	0	113.2	K337 T357 E359 I364	K337-D362 IonicContact NZ-OD1 3.99Å; K337-D362 PolarHBondContact NZ-OD1 3.1Å; T357-D362 HydrophobicContact CG2-CB 3.56Å; E359-D362 PolarHBondContact O-N 3.12Å; D362-I364 PolarHBondContact O-N 2.9Å
363	V	90	Very high	84.9	Confident	15 Å²	15	49.7 Å²	49.7	9%	0.091	25%	0.252	C	S	.	.			trans	-64.8	133.4	169.8	177.2	0	0	0	0	109.4	P288 G289 V290 V315 Q361 S387 I389	P288-V363 HydrophobicContact CB-CG1 3.99Å; G289-V363 WeakPolarHBondContact O-CA 3.28Å; V290-V363 HydrophobicContact CG2-CG2 3.96Å; V315-V363 WeakPolarHBondContact CG2-O 3.41Å; Q361-V363 VanDerWaalsContact C-N 3.29Å; Q361-V363 PolarHBondContact O-N 2.75Å; Q361-V363 VanDerWaalsContact O-N 3.08Å; V363-S387 WeakPolarHBondContact CG2-OG 3.35Å; V363-I389 HydrophobicContact CG2-CD1 4.13Å
364	I	93.4	Very high	84.9	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	156.1	173.7	69.9	176.7	0	0	0	110.5	L285 P288 G289 I291 L339 D362 A367	L285-I364 HydrophobicContact CD1-CD1 4.05Å; L285-I364 HydrophobicContact CD1-CG1 3.65Å; P288-I364 WeakPolarHBondContact CA-O 3.3Å; G289-I364 PolarHBondContact N-O 3.23Å; G289-I364 PolarHBondContact O-N 2.9Å; I291-I364 HydrophobicContact CD1-CD1 4.36Å; I291-I364 HydrophobicContact CG1-CD1 3.6Å; I291-I364 HydrophobicContact CG1-CG1 4.23Å; L339-I364 HydrophobicContact CD1-CD1 3.43Å; L339-I364 VanDerWaalsContact CD1-CD1 3.43Å; L339-I364 HydrophobicContact CD2-CD1 4.39Å; L339-I364 HydrophobicContact CD2-CG2 4.45Å; D362-I364 PolarHBondContact O-N 2.9Å; I364-A367 HydrophobicContact CD1-CB 4.4Å
365	T	95.1	Very high	85.1	Confident	11 Å²	11	42.5 Å²	42.5	7%	0.067	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	-21.6	170.8	59.9	0	0	0	0	112.6	L285 P288 C314 V315 L316 L391	L285-T365 PolarHBondContact N-O 2.95Å; P288-T365 HydrophobicContact CB-CG2 4Å; P288-T365 HydrophobicContact CG-CG2 3.91Å; C314-T365 PolarHBondContact O-N 3.32Å; V315-T365 HydrophobicContact CG1-CG2 4.35Å; L316-T365 PolarHBondContact N-OG1 2.51Å; L316-T365 PolarHBondContact O-OG1 3.16Å; L316-T365 VanDerWaalsContact O-OG1 3.08Å; T365-L391 HydrophobicContact CG2-CD1 3.63Å
366	H	96.7	Very high	85.6	Confident	3 Å²	3	42.2 Å²	42.2	1%	0.014	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	151.2	179.9	-59.1	74.1	0	0	0	110.6	V282 F283 G313 C314 E321 W329	V282-H366 HydrophobicContact CG1-CB 4.39Å; F283-H366 CarbonylContact O-C 3.51Å; F283-H366 WeakPolarHBondContact O-CA 3.48Å; G313-H366 CarbonylContact C-O 3.49Å; G313-H366 VanDerWaalsContact CA-O 3.3Å; G313-H366 WeakPolarHBondContact CA-O 3.44Å; C314-H366 PolarHBondContact N-O 3.2Å; C314-H366 PolarHBondContact O-N 3Å; E321-H366 IonicContact OE2-CD2 3.82Å; E321-H366 IonicContact OE2-CE1 3.94Å; E321-H366 IonicContact OE2-NE2 2.76Å; E321-H366 PolarHBondContact OE2-NE2 2.75Å; W329-H366 AromaticContact CH2-CD2 3.9Å
367	A	97.5	Very high	86.5	Confident	1 Å²	1	38 Å²	38	1%	0.008	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	142.8	172.1	0	0	0	0	0	110.4	V282 F283 L285 V311 D312 I364 L382	V282-A367 CarbonylContact C-O 3.51Å; V282-A367 WeakPolarHBondContact CA-O 3.45Å; F283-A367 PolarHBondContact N-O 2.92Å; F283-A367 PolarHBondContact O-N 2.79Å; L285-A367 HydrophobicContact CD2-CB 4.47Å; V311-A367 HydrophobicContact CG1-CB 4.48Å; D312-A367 CarbonylContact O-C 3.55Å; D312-A367 VanDerWaalsContact O-CA 3.25Å; D312-A367 WeakPolarHBondContact O-CA 3.44Å; I364-A367 HydrophobicContact CD1-CB 4.4Å; A367-L382 HydrophobicContact CB-CD1 3.26Å
368	R	97.7	Very high	88	Confident	44 Å²	44	37.5 Å²	37.5	17%	0.166	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	118.1	174.1	177.6	179.1	173.5	165	3.9	109	W280 A281 V282 V311 D312 W336 T370	W280-R368 HydrophobicContact CB-CG 4.4Å; W280-R368 VanDerWaalsContact CG-NH2 3.27Å; A281-R368 CarbonylContact O-C 3.58Å; A281-R368 WeakPolarHBondContact O-CA 3.32Å; V282-R368 HydrophobicContact CG2-CB 4.08Å; V282-R368 HydrophobicContact CG2-CG 4.02Å; V311-R368 WeakPolarHBondContact CA-O 3.09Å; D312-R368 PolarHBondContact N-O 3.19Å; D312-R368 PolarHBondContact O-N 2.93Å; W336-R368 HydrophobicContact CE3-CB 4.15Å; W336-R368 HydrophobicContact CH2-CB 3.6Å; W336-R368 HydrophobicContact CZ2-CB 4.19Å; W336-R368 HydrophobicContact CZ3-CB 3.57Å; R368-T370 PolarHBondContact NE-OG1 2.86Å
369	L	98.6	Very high	90	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	129.3	163.9	177.7	61.9	0	0	0	108.3	I240 W253 W280 A281 F283 I296 C309 V311 I371 V377 L380	I240-L369 HydrophobicContact CD1-CD2 3.58Å; W253-L369 HydrophobicContact CE3-CD2 4.47Å; W253-L369 HydrophobicContact CZ3-CD2 4.09Å; W253-L369 HydrophobicContact CZ3-CG 4.48Å; W280-L369 CarbonylContact C-O 3.6Å; W280-L369 WeakPolarHBondContact CA-O 3.32Å; A281-L369 PolarHBondContact N-O 2.83Å; A281-L369 PolarHBondContact O-N 2.97Å; F283-L369 HydrophobicContact CE2-CB 4.22Å; I296-L369 HydrophobicContact CD1-CD1 3.81Å; C309-L369 HydrophobicContact CB-CD1 4.16Å; V311-L369 HydrophobicContact CG2-CD1 3.93Å; L369-I371 HydrophobicContact CD1-CG2 4.39Å; L369-I371 HydrophobicContact CD2-CG2 4.36Å; L369-I371 HydrophobicContact CG-CG2 4.16Å; L369-V377 HydrophobicContact CD2-CG1 4.4Å; L369-V377 HydrophobicContact CD2-CG2 4.48Å; L369-L380 HydrophobicContact CB-CD2 4.37Å
370	T	98.3	Very high	92.1	Very high	4 Å²	4	23.8 Å²	23.8	3%	0.025	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	130.1	170.4	-55.5	0	0	0	0	108.7	C278 E279 C309 K310 R368	C278-T370 HydrophobicContact CB-CG2 3.55Å; E279-T370 CarbonylContact O-C 3.37Å; E279-T370 WeakPolarHBondContact O-CA 3.32Å; C309-T370 CarbonylContact C-O 3.56Å; C309-T370 WeakPolarHBondContact CA-O 3.19Å; C309-T370 VanDerWaalsContact CB-O 3.3Å; C309-T370 WeakPolarHBondContact CB-O 3.24Å; K310-T370 HydrophobicContact CG-CG2 4.47Å; K310-T370 PolarHBondContact N-O 3.34Å; K310-T370 PolarHBondContact O-N 3.22Å; R368-T370 PolarHBondContact NE-OG1 2.86Å
371	I	98.3	Very high	94.2	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	145.6	176.2	66.4	174.3	0	0	0	109.9	W253 T255 C278 E279 P306 C309 L369 V377	W253-I371 HydrophobicContact CH2-CD1 4.11Å; W253-I371 HydrophobicContact CH2-CG1 4.22Å; W253-I371 HydrophobicContact CZ3-CD1 4.06Å; W253-I371 HydrophobicContact CZ3-CG1 4.36Å; W253-I371 HydrophobicContact CZ3-CG2 4.35Å; T255-I371 HydrophobicContact CG2-CD1 4.41Å; C278-I371 WeakPolarHBondContact CB-O 3.12Å; E279-I371 HydrophobicContact CB-CD1 4.2Å; E279-I371 HydrophobicContact CB-CG1 3.76Å; E279-I371 PolarHBondContact N-O 2.76Å; E279-I371 PolarHBondContact O-N 2.89Å; P306-I371 HydrophobicContact CB-CB 3.74Å; P306-I371 HydrophobicContact CB-CD1 4.42Å; P306-I371 HydrophobicContact CB-CG1 4.46Å; P306-I371 HydrophobicContact CB-CG2 4.33Å; P306-I371 HydrophobicContact CG-CB 4.01Å; P306-I371 HydrophobicContact CG-CG2 4.04Å; C309-I371 HydrophobicContact CB-CG2 4.26Å; L369-I371 HydrophobicContact CD1-CG2 4.39Å; L369-I371 HydrophobicContact CD2-CG2 4.36Å; L369-I371 HydrophobicContact CG-CG2 4.16Å; I371-V377 HydrophobicContact CG2-CG2 3.83Å
372	V	97.3	Very high	96	Very high	26 Å²	26	9.6 Å²	9.6	16%	0.158	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	139.4	-173.2	179.6	0	0	0	0	110.7	V275 C278 D307 S308	V275-V372 HydrophobicContact CG2-CG1 3.35Å; C278-V372 HydrophobicContact CB-CG2 3.88Å; D307-V372 VanDerWaalsContact CB-O 3.28Å; D307-V372 WeakPolarHBondContact CB-O 3.3Å; D307-V372 PolarHBondContact N-O 2.9Å; S308-V372 PolarHBondContact N-O 2.83Å; S308-V372 PolarHBondContact O-N 3.12Å
373	P	95.5	Very high	96.9	Very high	7 Å²	7	12 Å²	12	5%	0.045	6%	0.055	C	C	.	.	S	Bend	cis	-70	-34.5	-17.6	25.1	-29.3	0	0	0	112.2	R258 R261 V275	R258-P373 WeakPolarHBondContact CD-O 3.49Å; R261-P373 HydrophobicContact CG-CB 4.19Å; V275-P373 HydrophobicContact CB-CB 4.43Å; V275-P373 HydrophobicContact CG2-CB 3.81Å; V275-P373 HydrophobicContact CG2-CG 4.29Å
374	D	96.7	Very high	97	Very high	14 Å²	14	11.3 Å²	11.3	8%	0.075	5%	0.051	C	C	.	.	S	Bend	trans	-160.1	175.2	-176.4	47.8	77.7	0	0	0	108.4	T255 R258 R261 E279 P306	T255-D374 WeakPolarHBondContact OG1-CB 3.33Å; R258-D374 WeakPolarHBondContact CB-OD2 3.49Å; R258-D374 HydrophobicContact CG-CB 4.08Å; R258-D374 PolarHBondContact N-OD2 2.96Å; R261-D374 WeakPolarHBondContact CD-OD2 3.26Å; R261-D374 IonicContact CZ-OD2 3.94Å; R261-D374 IonicContact NE-OD2 3.33Å; R261-D374 IonicContact NH1-OD1 2.84Å; R261-D374 PolarHBondContact NH1-OD1 3.02Å; R261-D374 VanDerWaalsContact NH1-OD1 3.08Å; R261-D374 IonicContact NH1-OD2 2.71Å; R261-D374 PolarHBondContact NH1-OD2 2.99Å; R261-D374 VanDerWaalsContact NH1-OD2 3.14Å; E279-D374 HydrophobicContact CG-CB 4.28Å; P306-D374 WeakPolarHBondContact CA-O 3.37Å
375	G	96.9	Very high	96.9	Very high	4 Å²	4	15.1 Å²	15.1	4%	0.041	7%	0.067	C	C	.	.			trans	143.7	-159.1	171.7	0	0	0	0	0	112.7	E254 T255 N304	E254-G375 WeakPolarHBondContact CA-O 3.39Å; T255-G375 PolarHBondContact N-O 2.8Å; T255-G375 PolarHBondContact OG1-N 3.23Å; T255-G375 VanDerWaalsContact OG1-N 3.14Å; T255-G375 PolarHBondContact OG1-O 3.34Å; N304-G375 CarbonylContact O-C 3.5Å; N304-G375 WeakPolarHBondContact O-CA 3.38Å
376	G	97.8	Very high	96.6	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	139.3	-178.4	0	0	0	0	0	114.8	W253 F301 N304 P306	W253-G376 CarbonylContact O-C 3.53Å; W253-G376 WeakPolarHBondContact O-CA 3.22Å; F301-G376 VanDerWaalsContact CD2-C 3.49Å; F301-G376 WeakPolarHBondContact CD2-O 3.28Å; F301-G376 WeakPolarHBondContact CG-O 3.47Å; N304-G376 PolarHBondContact O-N 2.89Å; P306-G376 WeakPolarHBondContact CD-O 3.06Å
377	V	98.5	Very high	96.1	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	138.2	173.8	179.2	0	0	0	0	108.5	I240 G252 W253 I296 D297 F301 P306 L369 I371	I240-V377 HydrophobicContact CD1-CG1 4.39Å; I240-V377 HydrophobicContact CG2-CB 4.35Å; I240-V377 HydrophobicContact CG2-CG1 4.34Å; I240-V377 WeakPolarHBondContact CG2-O 3.45Å; G252-V377 WeakPolarHBondContact CA-O 3.38Å; W253-V377 PolarHBondContact N-O 3.37Å; W253-V377 PolarHBondContact O-N 2.93Å; I296-V377 HydrophobicContact CG2-CG1 4.26Å; D297-V377 WeakPolarHBondContact O-CG1 3.46Å; F301-V377 VanDerWaalsContact CE2-C 3.43Å; F301-V377 WeakPolarHBondContact CE2-O 3.26Å; P306-V377 HydrophobicContact CG-CG2 4.06Å; L369-V377 HydrophobicContact CD2-CG1 4.4Å; L369-V377 HydrophobicContact CD2-CG2 4.48Å; I371-V377 HydrophobicContact CG2-CG2 3.83Å
378	S	97.9	Very high	94.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.115	C	C	.	.			trans	-93.5	-46.7	-174.5	-34.4	0	0	0	0	110.9	I240 D297 T298 K299 F301	I240-S378 WeakPolarHBondContact CA-O 2.95Å; D297-S378 WeakPolarHBondContact O-CA 3.43Å; D297-S378 WeakPolarHBondContact O-CB 3.36Å; D297-S378 PolarHBondContact O-N 2.89Å; D297-S378 PolarHBondContact O-OG 3.27Å; T298-S378 WeakPolarHBondContact CA-OG 3.3Å; K299-S378 PolarHBondContact N-OG 2.83Å; K299-S378 WeakPolarHBondContact O-CB 3.16Å; K299-S378 PolarHBondContact O-OG 3.05Å; F301-S378 VanDerWaalsContact CD2-OG 3.26Å; F301-S378 WeakPolarHBondContact CD2-OG 3.25Å; F301-S378 WeakPolarHBondContact CE2-OG 3.06Å
379	R	98.3	Very high	93	Very high	6 Å²	6	24.4 Å²	24.4	2%	0.023	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	148.3	176.7	-64.3	-63.5	-174.9	-104.5	10.1	112.7	N239 I240 V243 G244 G245 D251 D297 R381	N239-R379 PolarHBondContact O-NH1 2.92Å; N239-R379 VanDerWaalsContact O-NH1 3.1Å; I240-R379 CarbonylContact O-C 3.56Å; I240-R379 VanDerWaalsContact O-CA 3.22Å; I240-R379 WeakPolarHBondContact O-CA 3.06Å; I240-R379 WeakPolarHBondContact O-CD 3.44Å; V243-R379 PolarHBondContact O-NH2 2.68Å; G244-R379 PolarHBondContact O-NE 2.96Å; G245-R379 PolarHBondContact O-NH2 2.55Å; D251-R379 VanDerWaalsContact CG-NH2 3.31Å; D251-R379 PolarHBondContact O-NH1 3.31Å; D251-R379 IonicContact OD1-CZ 3.93Å; D251-R379 IonicContact OD1-NH1 2.81Å; D251-R379 IonicContact OD1-NH2 3.09Å; D251-R379 PolarHBondContact OD1-NH2 2.81Å; D251-R379 VanDerWaalsContact OD1-NH2 3.17Å; D251-R379 IonicContact OD2-CZ 3.82Å; D251-R379 IonicContact OD2-NH1 3.79Å; D251-R379 IonicContact OD2-NH2 3.97Å; D251-R379 PolarHBondContact OD2-NH2 2.75Å; D297-R379 HydrophobicContact CB-CB 3.92Å; D297-R379 PolarHBondContact N-O 3.14Å; D297-R379 PolarHBondContact O-N 3.21Å; R379-R381 VanDerWaalsContact CD-NH2 3.29Å
380	L	98.6	Very high	90.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	129.5	165.3	174.8	65.2	0	0	0	107.7	V218 I240 I241 F283 I294 E295 I296 L369 L382	V218-L380 HydrophobicContact CG1-CG 4.35Å; I240-L380 HydrophobicContact CB-CB 4.46Å; I240-L380 HydrophobicContact CD1-CB 3.9Å; I240-L380 HydrophobicContact CD1-CD2 4.47Å; I240-L380 HydrophobicContact CG1-CB 3.86Å; I240-L380 PolarHBondContact O-N 3.45Å; I241-L380 HydrophobicContact CG2-CB 4.48Å; F283-L380 HydrophobicContact CD2-CD2 3.87Å; F283-L380 HydrophobicContact CE2-CD2 3.8Å; F283-L380 HydrophobicContact CZ-CD2 4.48Å; I294-L380 HydrophobicContact CG2-CD1 4.49Å; E295-L380 WeakPolarHBondContact O-CA 3.32Å; I296-L380 HydrophobicContact CD1-CD1 3.39Å; L369-L380 HydrophobicContact CB-CD2 4.37Å; L380-L382 HydrophobicContact CD1-CD2 3.9Å; L380-L382 HydrophobicContact CD1-CG 4.23Å; L380-L382 HydrophobicContact CD2-CD1 4.43Å; L380-L382 HydrophobicContact CD2-CG 4.43Å; L380-L382 HydrophobicContact CG-CD2 4.42Å; L380-L382 HydrophobicContact CG-CG 4.2Å
381	R	98.3	Very high	87.8	Confident	23 Å²	23	32.9 Å²	32.9	9%	0.087	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	132.3	167.2	-49.6	-68.1	172.3	-131.2	17.4	109.2	D216 I240 G242 G244 I294 E295 R379 R383	D216-R381 WeakPolarHBondContact OD2-CD 3.46Å; D216-R381 IonicContact OD2-NE 2.91Å; D216-R381 IonicContact OD2-NH1 3.91Å; I240-R381 PolarHBondContact O-NH1 3.07Å; G242-R381 PolarHBondContact O-NH1 3.41Å; G242-R381 PolarHBondContact O-NH2 2.95Å; G244-R381 PolarHBondContact O-NH2 3.46Å; I294-R381 WeakPolarHBondContact CA-O 3.5Å; E295-R381 HydrophobicContact CB-CB 3.68Å; E295-R381 HydrophobicContact CB-CG 3.85Å; E295-R381 HydrophobicContact CG-CG 4.44Å; E295-R381 PolarHBondContact N-O 3.3Å; E295-R381 PolarHBondContact O-N 3.24Å; E295-R381 WeakPolarHBondContact OE2-CG 3.33Å; R379-R381 VanDerWaalsContact CD-NH2 3.29Å; R381-R383 HydrophobicContact CB-CG 4.1Å
382	L	97.3	Very high	85.1	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	84.5	175.2	-62.4	-176.8	0	0	0	107.3	D216 L217 V218 L285 I291 I294 V311 A367 L380	D216-L382 PolarHBondContact OD1-N 3.25Å; L217-L382 PolarHBondContact N-O 3.22Å; V218-L382 HydrophobicContact CB-CB 4.09Å; V218-L382 HydrophobicContact CB-CD1 4Å; V218-L382 HydrophobicContact CB-CG 4.13Å; V218-L382 HydrophobicContact CG1-CB 4.01Å; V218-L382 HydrophobicContact CG1-CD1 4.29Å; V218-L382 HydrophobicContact CG1-CG 3.93Å; V218-L382 HydrophobicContact CG2-CD1 4.22Å; L285-L382 HydrophobicContact CD2-CD1 3.98Å; I291-L382 HydrophobicContact CD1-CB 3.86Å; I291-L382 HydrophobicContact CG1-CB 4.39Å; I291-L382 HydrophobicContact CG2-CB 4.33Å; I291-L382 HydrophobicContact CG2-CD2 4.41Å; I294-L382 HydrophobicContact CB-CD2 4.39Å; I294-L382 HydrophobicContact CD1-CD2 4.47Å; I294-L382 HydrophobicContact CG1-CD2 3.86Å; I294-L382 HydrophobicContact CG2-CD2 4.04Å; V311-L382 HydrophobicContact CG1-CD2 4.28Å; A367-L382 HydrophobicContact CB-CD1 3.26Å; L380-L382 HydrophobicContact CD1-CD2 3.9Å; L380-L382 HydrophobicContact CD1-CG 4.23Å; L380-L382 HydrophobicContact CD2-CD1 4.43Å; L380-L382 HydrophobicContact CD2-CG 4.43Å; L380-L382 HydrophobicContact CG-CD2 4.42Å; L380-L382 HydrophobicContact CG-CG 4.2Å
383	R	95.5	Very high	82.2	Confident	93 Å²	93	48.5 Å²	48.5	35%	0.351	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	135.6	-172.7	-51.3	-173.8	-166.9	177.5	7.6	111	H214 A215 D216 T292 R293 E295 R381	H214-R383 WeakPolarHBondContact CE1-CB 3.46Å; A215-R383 CarbonylContact O-C 3.59Å; A215-R383 VanDerWaalsContact O-CA 3.28Å; A215-R383 WeakPolarHBondContact O-CA 3.49Å; D216-R383 HydrophobicContact CB-CG 4.25Å; T292-R383 PolarHBondContact N-O 3.49Å; T292-R383 PolarHBondContact OG1-O 2.96Å; R293-R383 HydrophobicContact CB-CB 4.37Å; R293-R383 PolarHBondContact N-O 3.19Å; R293-R383 PolarHBondContact O-N 3.19Å; E295-R383 IonicContact OE2-CZ 2.8Å; E295-R383 IonicContact OE2-NH2 3.49Å; E295-R383 PolarHBondContact OE2-NH2 3Å; R381-R383 HydrophobicContact CB-CG 4.1Å
384	G	92.7	Very high	79.1	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.1	-166.9	-169.4	0	0	0	0	0	113.3	H214 A215 V290	H214-G384 PolarHBondContact NE2-N 2.89Å; A215-G384 PolarHBondContact N-O 2.92Å; A215-G384 PolarHBondContact O-N 2.82Å; V290-G384 CarbonylContact O-C 3.51Å; V290-G384 WeakPolarHBondContact O-CA 3.27Å
385	F	90.7	Very high	76.1	Confident	81 Å²	81	64.4 Å²	64.4	36%	0.355	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	127.3	178.9	-60.4	-77.6	0	0	0	109.7	K212 G289 V290 T292 S387	K212-F385 WeakPolarHBondContact O-CE1 3.38Å; G289-F385 CarbonylContact C-O 3.54Å; G289-F385 WeakPolarHBondContact CA-O 3.31Å; V290-F385 PolarHBondContact N-O 3.23Å; V290-F385 PolarHBondContact O-N 3.17Å; T292-F385 HydrophobicContact CG2-CD2 4.24Å; T292-F385 HydrophobicContact CG2-CE2 4.15Å; F385-S387 PolarHBondContact O-N 3.31Å
386	P	90.2	Very high	73.2	Confident	25 Å²	25	73 Å²	73	16%	0.162	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	134.8	173.7	28.1	-33.1	0	0	0	109.4	W206 L217 H287	W206-P386 HydrophobicContact CE3-CB 3.93Å; W206-P386 HydrophobicContact CE3-CG 4.07Å; W206-P386 HydrophobicContact CZ3-CB 4.01Å; W206-P386 HydrophobicContact CZ3-CG 4.09Å; L217-P386 HydrophobicContact CD2-CB 4.29Å; H287-P386 HydrophobicContact CB-CB 4.42Å
387	S	85.7	Confident	70.1	Confident	23 Å²	23	81.9 Å²	81.9	16%	0.161	40%	0.401	C	S	.	.			trans	-100.4	133.9	178.7	178.5	0	0	0	0	110.9	H287 P288 V363 F385 I389	H287-S387 PolarHBondContact CE1-O 2.92Å; P288-S387 PolarHBondContact O-N 3.23Å; V363-S387 WeakPolarHBondContact CG2-OG 3.35Å; F385-S387 PolarHBondContact O-N 3.31Å; S387-I389 PolarHBondContact O-N 2.55Å; S387-I389 VanDerWaalsContact O-N 3.09Å; S387-I389 PolarHBondContact OG-N 3.1Å
388	S	70.1	Confident	67	Low	110 Å²	110	87.4 Å²	87.4	77%	0.769	44%	0.437	S	S	*	.			trans	-70.2	2.5	175	-39.1	0	0	0	0	113.8	C390	S388-C390 PolarHBondContact O-N 2.87Å
389	I	59.3	Low	63.8	Low	96 Å²	96	95.3 Å²	95.3	49%	0.492	48%	0.476	S	S	.	.			trans	-65.9	85.2	170.2	-62.3	179.2	0	0	0	107.8	V363 S387 L391	V363-I389 HydrophobicContact CG2-CD1 4.13Å; S387-I389 PolarHBondContact O-N 2.55Å; S387-I389 VanDerWaalsContact O-N 3.09Å; S387-I389 PolarHBondContact OG-N 3.1Å; I389-L391 VanDerWaalsContact C-N 3.29Å; I389-L391 HydrophobicContact CG2-CG 4.35Å; I389-L391 PolarHBondContact O-N 2.84Å
390	C	46.3	Very low	60.6	Low	112 Å²	112	102.1 Å²	102.1	76%	0.757	51%	0.51	S	S	*	.			trans	-61.4	92	165.4	-85	0	0	0	0	107.7	S388 L392	S388-C390 PolarHBondContact O-N 2.87Å; C390-L392 PolarHBondContact O-N 3.38Å
391	L	42.6	Very low	57.6	Low	70 Å²	70	110.8 Å²	110.8	37%	0.366	55%	0.547	S	S	.	.			trans	-67.8	85.4	154.6	-70.9	167.3	0	0	0	107	V315 T365 I389 R393	V315-L391 HydrophobicContact CG1-CD1 3.35Å; T365-L391 HydrophobicContact CG2-CD1 3.63Å; I389-L391 VanDerWaalsContact C-N 3.29Å; I389-L391 HydrophobicContact CG2-CG 4.35Å; I389-L391 PolarHBondContact O-N 2.84Å; L391-R393 PolarHBondContact O-N 3.21Å
392	L	40.9	Very low	54.5	Low	150 Å²	150	117.8 Å²	117.8	79%	0.785	58%	0.579	S	S	*	*			trans	25	80.1	154.4	-61.1	166.8	0	0	0	114.9	C390	C390-L392 PolarHBondContact O-N 3.38Å
393	R	35.8	Very low	51.7	Low	205 Å²	205	123.3 Å²	123.3	77%	0.774	62%	0.617	S	S	*	*			trans	-63.7	129	144.8	-71.2	-172.9	-175.1	176.7	3.8	106.3	L391 R395	L391-R393 PolarHBondContact O-N 3.21Å; R393-R395 PolarHBondContact O-N 3.48Å
394	P	31	Very low	48.9	Very low	120 Å²	120	124.1 Å²	124.1	78%	0.779	63%	0.632	S	S	*	*			trans	-60.5	105.1	168	-12.8	25.9	0	0	0	106.7	E396	P394-E396 VanDerWaalsContact C-N 3.28Å; P394-E396 PolarHBondContact O-N 2.97Å
395	R	34.7	Very low	46.2	Very low	234 Å²	234	127.4 Å²	127.4	88%	0.883	67%	0.666	S	S	*	*			trans	-66.3	101	159.2	-82.4	-177.7	169.7	174.3	-2.7	104.6	R393 K397	R393-R395 PolarHBondContact O-N 3.48Å; R395-K397 VanDerWaalsContact C-N 3.33Å; R395-K397 PolarHBondContact O-N 3.14Å
396	E	36.1	Very low	43.7	Very low	184 Å²	184	132.8 Å²	132.8	86%	0.86	69%	0.69	S	S	*	*			trans	-53.3	109.2	156	-75.6	-172.5	165.5	0	0	105.9	P394	P394-E396 VanDerWaalsContact C-N 3.28Å; P394-E396 PolarHBondContact O-N 2.97Å
397	K	32	Very low	41.3	Very low	187 Å²	187	141.6 Å²	141.6	81%	0.813	73%	0.726	S	S	*	*			trans	-61	129.6	174.9	-76.1	-179.5	177.3	177.6	0	106.4	R395 M399	R395-K397 VanDerWaalsContact C-N 3.33Å; R395-K397 PolarHBondContact O-N 3.14Å; K397-M399 PolarHBondContact O-N 3.08Å; K397-M399 VanDerWaalsContact O-N 3.08Å
398	P	33.6	Very low	39.2	Very low	117 Å²	117	144.8 Å²	144.8	76%	0.76	75%	0.753	S	S	*	*			trans	-58.3	121.7	169	23.5	-30.2	0	0	0	107.5	M400	P398-M400 PolarHBondContact O-N 2.87Å
399	M	30.1	Very low	37.6	Very low	165 Å²	165	147.3 Å²	147.3	81%	0.813	76%	0.758	S	S	*	*			trans	-57.3	100.3	170.3	-95.5	174.3	56.3	0	0	108.1	K397 K401	K397-M399 PolarHBondContact O-N 3.08Å; K397-M399 VanDerWaalsContact O-N 3.08Å; M399-K401 PolarHBondContact O-N 3.43Å
400	M	31.9	Very low	37.2	Very low	149 Å²	149	152.1 Å²	152.1	73%	0.734	80%	0.796	S	S	*	*			trans	-66.7	100.6	160.1	-76.9	-170.3	-171	0	0	107	P398 F402	P398-M400 PolarHBondContact O-N 2.87Å; M400-F402 HydrophobicContact CB-CD2 4.16Å; M400-F402 HydrophobicContact CB-CE2 3.93Å; M400-F402 PolarHBondContact O-N 3.37Å; M400-F402 HydrophobicContact SD-CE2 4.04Å; M400-F402 HydrophobicContact SD-CZ 4.17Å
401	K	35.5	Very low	36.8	Very low	182 Å²	182	154.1 Å²	154.1	79%	0.791	80%	0.798	S	S	*	*			trans	-67.7	99	162.2	-74.2	-176	178.3	179	0	107.3	M399 S403	M399-K401 PolarHBondContact O-N 3.43Å; K401-S403 PolarHBondContact O-N 2.71Å
402	F	32.7	Very low	36.5	Very low	170 Å²	170	158.5 Å²	158.5	75%	0.746	82%	0.82	S	S	*	*			trans	-75.4	103.3	160.8	-78.4	-83.8	0	0	0	108	M400 V404	M400-F402 HydrophobicContact CB-CD2 4.16Å; M400-F402 HydrophobicContact CB-CE2 3.93Å; M400-F402 PolarHBondContact O-N 3.37Å; M400-F402 HydrophobicContact SD-CE2 4.04Å; M400-F402 HydrophobicContact SD-CZ 4.17Å; F402-V404 PolarHBondContact O-N 3.33Å
403	S	39.3	Very low	36.2	Very low	116 Å²	116	159 Å²	159	81%	0.811	82%	0.822	S	S	*	*			trans	-75.6	99.3	161.9	44.7	0	0	0	0	108.3	K401 G405	K401-S403 PolarHBondContact O-N 2.71Å; S403-G405 PolarHBondContact O-N 2.84Å
404	V	36.1	Very low	36.2	Very low	110 Å²	110	156.3 Å²	156.3	67%	0.667	83%	0.825	S	S	*	*			trans	-78.2	98.2	166.2	-176.4	0	0	0	0	107.3	F402 F406	F402-V404 PolarHBondContact O-N 3.33Å; V404-F406 HydrophobicContact CG1-CD2 4.29Å; V404-F406 HydrophobicContact CG1-CE2 4.13Å; V404-F406 PolarHBondContact O-N 2.87Å
405	G	35.2	Very low	36.6	Very low	69 Å²	69	158.6 Å²	158.6	71%	0.711	83%	0.828	S	S	*	*			trans	-74.4	109	167.7	0	0	0	0	0	109.7	S403 K407	S403-G405 PolarHBondContact O-N 2.84Å; G405-K407 PolarHBondContact O-N 3.28Å
406	F	37.8	Very low	36.7	Very low	195 Å²	195	153.5 Å²	153.5	86%	0.855	82%	0.824	S	S	*	*			trans	-73	110	162.7	-85.5	-87.7	0	0	0	108.6	V404 A408	V404-F406 HydrophobicContact CG1-CD2 4.29Å; V404-F406 HydrophobicContact CG1-CE2 4.13Å; V404-F406 PolarHBondContact O-N 2.87Å; F406-A408 PolarHBondContact O-N 3.07Å
407	K	40.7	Very low	36.7	Very low	209 Å²	209	151.4 Å²	151.4	91%	0.909	82%	0.822	S	S	*	*			trans	-74.1	114.7	159.2	-81.9	-178.1	174	179.2	0	107.7	G405	G405-K407 PolarHBondContact O-N 3.28Å
408	A	42.7	Very low	37.1	Very low	90 Å²	90	148.6 Å²	148.6	74%	0.744	82%	0.822	S	S	*	*			trans	-105	128.7	154.7	0	0	0	0	0	107.4	F406	F406-A408 PolarHBondContact O-N 3.07Å
409	N	35.9	Very low	37.4	Very low	163 Å²	163	151.3 Å²	151.3	87%	0.872	83%	0.828	S	S	*	*			trans	-161	153	162.7	-103.4	5.6	0	0	0	107.5
410	P	50.8	Low	38.1	Very low	197 Å²	197	150 Å²	150	100%	1.279	83%	0.829	S	S	*	*			cis	-99	0	-16.5	17.2	2.5	0	0	0	113.5

Retrieved 410 of 410 residues in 144.8 ms (Link to these results)

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