A0A096MZM4_PAPAN Loading...

Semaphorin 3D

AlphaFold DB (A0A2K5KH65), UniProt , Accession A0A096MZM4, Species PAPAN (Papio anubis, Olive baboon), Gene SEMA3D, Length 777 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.7	Very low	34.1	Very low	247 Å²	247	178 Å²	178	100%	1.217	91%	0.908	S	S	*	*				0	144.7	0	-80.5	161.4	86.3	0	0	108.5
2	N	30.5	Very low	34.2	Very low	166 Å²	166	183.2 Å²	183.2	89%	0.888	91%	0.908	S	S	*	*			trans	-70.8	140.2	-149.8	-81	-21.5	0	0	0	117.5
3	A	32.7	Very low	34.3	Very low	94 Å²	94	177.7 Å²	177.7	78%	0.777	90%	0.898	S	S	*	*				60.9	101	127.9	0	0	0	0	0	121.3
4	N	38.4	Very low	34.6	Very low	159 Å²	159	178.1 Å²	178.1	85%	0.85	90%	0.895	S	S	*	*			trans	-50.1	140.2	141.8	-96.7	-30.2	0	0	0	113.7
5	K	36.4	Very low	35.1	Very low	195 Å²	195	175.3 Å²	175.3	85%	0.848	88%	0.884	S	S	*	*				148.1	95.5	127.6	-87.3	178.3	174.8	177	0	110.1
6	D	37.4	Very low	35.6	Very low	161 Å²	161	175.4 Å²	175.4	86%	0.861	88%	0.877	S	S	*	*	S	Bend	trans	178.6	84.7	143.3	-97.6	-18.2	0	0	0	109.7
7	E	33.7	Very low	35.9	Very low	200 Å²	200	174.6 Å²	174.6	94%	0.935	87%	0.87	S	S	*	*			trans	-173.1	40	155.4	-112	176.9	-177.6	0	0	113
8	R	30.5	Very low	36.4	Very low	250 Å²	250	171.9 Å²	171.9	94%	0.943	86%	0.858	S	S	*	*			trans	-113.3	29.3	175.2	-130.1	-178	-161.3	-170.5	5.5	113.9
9	L	32	Very low	37	Very low	169 Å²	169	171.9 Å²	171.9	89%	0.885	85%	0.853	S	S	*	*	S	Bend	trans	-138.7	62.2	178.9	-83.9	161.5	0	0	0	110.6
10	K	31.7	Very low	37.7	Very low	214 Å²	214	167.1 Å²	167.1	93%	0.93	83%	0.834	S	S	*	*	S	Bend	trans	-154.5	11.1	164.7	-115.3	172.1	-170.2	179.4	0	116.2
11	A	36	Very low	38.3	Very low	103 Å²	103	161.7 Å²	161.7	85%	0.851	82%	0.816	S	S	*	*	S	Bend	trans	-125.6	46.8	-179	0	0	0	0	0	112.6
12	R	35.6	Very low	39.1	Very low	240 Å²	240	155.7 Å²	155.7	91%	0.906	79%	0.788	S	S	*	*	S	Bend	trans	-146.3	30.1	-179.7	-136.5	179.6	-171	-175.3	1.3	115.4
13	S	35.7	Very low	40.2	Very low	112 Å²	112	154.5 Å²	154.5	78%	0.783	78%	0.779	S	S	*	*	S	Bend	trans	-139.4	22	-176.4	-169.8	0	0	0	0	115.4
14	Q	38.1	Very low	41.1	Very low	183 Å²	183	156.5 Å²	156.5	86%	0.855	77%	0.774	S	S	*	*	S	Bend	trans	-122.8	-1.6	176.6	-81.4	-178.1	-19.4	0	0	115.6
15	D	41.8	Very low	41.7	Very low	136 Å²	136	155.1 Å²	155.1	73%	0.727	77%	0.765	S	S	*	*	S	Bend	trans	-94.2	4.5	-176.9	-68.2	-36.8	0	0	0	115.5
16	F	42.7	Very low	42.3	Very low	178 Å²	178	148.8 Å²	148.8	78%	0.781	75%	0.746	S	S	*	*	S	Bend	trans	-97.8	-0.4	-173.5	-87.5	-82.4	0	0	0	116.1
17	H	41.8	Very low	42.8	Very low	162 Å²	162	146.6 Å²	146.6	75%	0.75	73%	0.732	S	S	*	*	S	Bend	trans	-107.2	-7.2	178.7	-74.1	-66	0	0	0	115.3
18	L	44.9	Very low	43.2	Very low	125 Å²	125	140.1 Å²	140.1	65%	0.654	71%	0.712	S	S	*	*	H	α-helix	trans	-84.3	-29.5	179.8	-125.8	80.1	0	0	0	113.5	L22	L18-L22 PolarHBondContact O-N 3.44Å
19	F	47.6	Very low	43.7	Very low	173 Å²	173	135 Å²	135	76%	0.759	70%	0.701	S	S	*	*	H	α-helix	trans	-66.7	-44.5	-177.9	-101.8	-88.7	0	0	0	115	A21 L22 M23	F19-A21 VanDerWaalsContact C-N 3.33Å; F19-A21 PolarHBondContact O-N 3.05Å; F19-L22 PolarHBondContact O-N 2.88Å; F19-M23 PolarHBondContact O-N 2.91Å; F19-M23 VanDerWaalsContact O-N 3.14Å
20	P	50	Low	44	Very low	75 Å²	75	133.3 Å²	133.3	49%	0.487	69%	0.692	S	S	.	*	H	α-helix	trans	-72.1	-27.1	179	24.8	-30.2	0	0	0	112.6	M24	P20-M24 WeakPolarHBondContact O-CB 3.19Å; P20-M24 VanDerWaalsContact O-CG 3.26Å; P20-M24 WeakPolarHBondContact O-CG 3.38Å; P20-M24 PolarHBondContact O-N 3.05Å
21	A	51.1	Low	44.1	Very low	54 Å²	54	131.2 Å²	131.2	45%	0.446	68%	0.683	S	S	.	*	H	α-helix	trans	-70.9	-39.9	175.4	0	0	0	0	0	112.3	F19 M24 L25	F19-A21 VanDerWaalsContact C-N 3.33Å; F19-A21 PolarHBondContact O-N 3.05Å; A21-M24 PolarHBondContact O-N 3.15Å; A21-L25 PolarHBondContact O-N 2.66Å
22	L	52.2	Low	43.8	Very low	120 Å²	120	131.8 Å²	131.8	63%	0.628	67%	0.671	S	S	*	*	H	α-helix	trans	-67.1	-35.8	173.7	-108.7	92.3	0	0	0	112.5	L18 F19 L25 S26	L18-L22 PolarHBondContact O-N 3.44Å; F19-L22 PolarHBondContact O-N 2.88Å; L22-L25 PolarHBondContact O-N 3.36Å; L22-S26 PolarHBondContact O-N 3.46Å
23	M	52.9	Low	43.5	Very low	142 Å²	142	125.1 Å²	125.1	70%	0.7	66%	0.659	S	S	*	*	H	α-helix	trans	-71.2	-35.8	176.9	-119.8	-159.5	168.6	0	0	112.6	F19 S26 M27	F19-M23 PolarHBondContact O-N 2.91Å; F19-M23 VanDerWaalsContact O-N 3.14Å; M23-S26 PolarHBondContact O-N 3.29Å; M23-S26 PolarHBondContact O-OG 2.96Å; M23-M27 WeakPolarHBondContact O-CB 3.36Å; M23-M27 PolarHBondContact O-N 2.72Å
24	M	52	Low	43.2	Very low	136 Å²	136	126.2 Å²	126.2	67%	0.67	66%	0.661	S	S	*	*	H	α-helix	trans	-70	-34.1	174.3	-71.7	-69.8	-77.1	0	0	112.1	P20 A21 A28	P20-M24 WeakPolarHBondContact O-CB 3.19Å; P20-M24 VanDerWaalsContact O-CG 3.26Å; P20-M24 WeakPolarHBondContact O-CG 3.38Å; P20-M24 PolarHBondContact O-N 3.05Å; A21-M24 PolarHBondContact O-N 3.15Å; M24-A28 WeakPolarHBondContact O-CB 3.45Å; M24-A28 PolarHBondContact O-N 3.12Å
25	L	51.1	Low	42.8	Very low	129 Å²	129	124.5 Å²	124.5	68%	0.675	66%	0.656	S	S	*	*	H	α-helix	trans	-68.3	-37.2	171.2	-111.4	98.3	0	0	0	112.5	A21 L22 A28 M29	A21-L25 PolarHBondContact O-N 2.66Å; L22-L25 PolarHBondContact O-N 3.36Å; L25-A28 PolarHBondContact O-N 3.46Å; L25-M29 WeakPolarHBondContact O-CG 3.48Å; L25-M29 PolarHBondContact O-N 3.06Å; L25-M29 VanDerWaalsContact O-N 3.12Å
26	S	49.7	Very low	42.2	Very low	62 Å²	62	120.8 Å²	120.8	43%	0.434	65%	0.65	S	S	.	*	H	α-helix	trans	-72	-33.7	177.1	78.5	0	0	0	0	112.4	L22 M23 L30	L22-S26 PolarHBondContact O-N 3.46Å; M23-S26 PolarHBondContact O-N 3.29Å; M23-S26 PolarHBondContact O-OG 2.96Å; S26-L30 PolarHBondContact O-N 2.94Å
27	M	46.9	Very low	41.7	Very low	116 Å²	116	118.2 Å²	118.2	57%	0.571	65%	0.649	S	S	*	*	H	α-helix	trans	-71	-37	171.7	-112.8	176.2	-177.1	0	0	112.5	M23 M29 L30 F31	M23-M27 WeakPolarHBondContact O-CB 3.36Å; M23-M27 PolarHBondContact O-N 2.72Å; M27-M29 VanDerWaalsContact C-N 3.31Å; M27-M29 PolarHBondContact O-N 3.48Å; M27-L30 WeakPolarHBondContact O-CB 3.25Å; M27-L30 PolarHBondContact O-N 2.97Å; M27-L30 VanDerWaalsContact O-N 3.12Å; M27-F31 VanDerWaalsContact O-CD2 3.25Å; M27-F31 WeakPolarHBondContact O-CD2 3.5Å
28	A	42.7	Very low	41.4	Very low	63 Å²	63	114.6 Å²	114.6	52%	0.521	64%	0.642	S	S	.	*	H	α-helix	trans	-66.6	-32.3	175.3	0	0	0	0	0	112.7	M24 L25 L30 F31	M24-A28 WeakPolarHBondContact O-CB 3.45Å; M24-A28 PolarHBondContact O-N 3.12Å; L25-A28 PolarHBondContact O-N 3.46Å; A28-L30 VanDerWaalsContact C-N 3.28Å; A28-L30 PolarHBondContact O-N 3.49Å; A28-F31 PolarHBondContact O-N 3.03Å
29	M	41.1	Very low	41.6	Very low	142 Å²	142	115.8 Å²	115.8	70%	0.7	64%	0.642	S	S	*	*	H	α-helix	trans	-68.7	-23.1	171.5	-79.8	-82.8	-125	0	0	113.4	L25 M27 L32	L25-M29 WeakPolarHBondContact O-CG 3.48Å; L25-M29 PolarHBondContact O-N 3.06Å; L25-M29 VanDerWaalsContact O-N 3.12Å; M27-M29 VanDerWaalsContact C-N 3.31Å; M27-M29 PolarHBondContact O-N 3.48Å; M29-L32 HydrophobicContact SD-CD1 3.94Å
30	L	38.9	Very low	41.9	Very low	135 Å²	135	114.4 Å²	114.4	71%	0.707	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-11.9	176.2	-81	157.8	0	0	0	113.6	S26 M27 A28	S26-L30 PolarHBondContact O-N 2.94Å; M27-L30 WeakPolarHBondContact O-CB 3.25Å; M27-L30 PolarHBondContact O-N 2.97Å; M27-L30 VanDerWaalsContact O-N 3.12Å; A28-L30 VanDerWaalsContact C-N 3.28Å; A28-L30 PolarHBondContact O-N 3.49Å
31	F	34.1	Very low	42.9	Very low	170 Å²	170	112.1 Å²	112.1	75%	0.746	62%	0.622	S	S	*	*	S	Bend	trans	-115.8	10.1	179.9	-70.8	-71.5	0	0	0	114.2	M27 A28	M27-F31 VanDerWaalsContact O-CD2 3.25Å; M27-F31 WeakPolarHBondContact O-CD2 3.5Å; A28-F31 PolarHBondContact O-N 3.03Å
32	L	28.1	Very low	44.6	Very low	114 Å²	114	111.7 Å²	111.7	60%	0.597	61%	0.611	S	S	*	*	S	Bend	trans	-64.8	124.7	163.8	-77.7	163.1	0	0	0	107.4	M29 V34	M29-L32 HydrophobicContact SD-CD1 3.94Å; L32-V34 PolarHBondContact O-N 3.38Å
33	P	29	Very low	46.5	Very low	100 Å²	100	106.4 Å²	106.4	65%	0.649	58%	0.584	S	S	*	*			trans	-57.2	123.5	169	25.4	-29.7	0	0	0	105.5	I35	P33-I35 PolarHBondContact O-N 3.47Å
34	V	30.3	Very low	48.3	Very low	135 Å²	135	100.2 Å²	100.2	82%	0.818	55%	0.553	S	S	*	*			trans	-58.2	93.1	159.5	177.1	0	0	0	0	103.9	L32 G36	L32-V34 PolarHBondContact O-N 3.38Å; V34-G36 VanDerWaalsContact C-N 3.32Å; V34-G36 PolarHBondContact O-N 3.47Å
35	I	29.3	Very low	50.3	Low	147 Å²	147	94.3 Å²	94.3	75%	0.754	52%	0.524	S	S	*	.			trans	-55.6	109.8	168	-64	171.2	0	0	0	102.4	P33 T37	P33-I35 PolarHBondContact O-N 3.47Å; I35-T37 PolarHBondContact O-N 3.02Å
36	G	29.7	Very low	52.3	Low	59 Å²	59	93.9 Å²	93.9	61%	0.608	52%	0.517	S	S	*	.			trans	-46.7	117.4	-177.7	0	0	0	0	0	107.2	V34 S38	V34-G36 VanDerWaalsContact C-N 3.32Å; V34-G36 PolarHBondContact O-N 3.47Å; G36-S38 VanDerWaalsContact C-N 3.31Å; G36-S38 PolarHBondContact O-N 3.28Å
37	T	31.8	Very low	54.4	Low	123 Å²	123	92.1 Å²	92.1	76%	0.755	50%	0.502	S	S	*	.			trans	-55.7	108.2	170	40.3	0	0	0	0	104.6	I35 K39	I35-T37 PolarHBondContact O-N 3.02Å; T37-K39 PolarHBondContact O-N 3.47Å
38	S	36.3	Very low	56.7	Low	86 Å²	86	89.3 Å²	89.3	60%	0.601	49%	0.492	S	S	*	.			trans	-52.1	114.3	172	-177	0	0	0	0	104.8	G36 Q40	G36-S38 VanDerWaalsContact C-N 3.31Å; G36-S38 PolarHBondContact O-N 3.28Å; S38-Q40 PolarHBondContact O-N 3.49Å; S38-Q40 WeakPolarHBondContact OG-CG 3.26Å
39	K	48.8	Very low	59.1	Low	150 Å²	150	88.7 Å²	88.7	65%	0.652	48%	0.476	S	S	*	.			trans	-66.1	57.9	179.7	-76.7	-178.9	164.7	-168.6	0	109.6	T37 I42	T37-K39 PolarHBondContact O-N 3.47Å; K39-I42 HydrophobicContact CB-CD1 3.56Å; K39-I42 HydrophobicContact CB-CG1 4.13Å; K39-I42 HydrophobicContact CD-CD1 3.62Å; K39-I42 HydrophobicContact CG-CD1 3.63Å
40	Q	54.1	Low	61.7	Low	144 Å²	144	89.3 Å²	89.3	67%	0.673	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	134.9	177.3	-71.7	-179.5	-16.6	0	0	107.8	S38	S38-Q40 PolarHBondContact O-N 3.49Å; S38-Q40 WeakPolarHBondContact OG-CG 3.26Å
41	N	70.8	Confident	64.3	Low	28 Å²	28	86 Å²	86	15%	0.15	46%	0.458	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.2	27.4	175.4	-53.5	-6.3	0	0	0	115.8	K441 R442 E491 V493	N41-K441 PolarHBondContact ND2-O 2.79Å; N41-R442 PolarHBondContact O-NH1 2.91Å; N41-E491 PolarHBondContact ND2-OE2 2.93Å; N41-E491 PolarHBondContact OD1-O 2.79Å; N41-V493 HydrophobicContact CB-CG2 4.07Å
42	I	86.5	Confident	67.1	Low	45 Å²	45	77.9 Å²	77.9	23%	0.231	42%	0.423	C	S	.	.			trans	-73.7	131.2	165.1	-61.1	-172.9	0	0	0	108.6	K39 R44 Q618 Q619	K39-I42 HydrophobicContact CB-CD1 3.56Å; K39-I42 HydrophobicContact CB-CG1 4.13Å; K39-I42 HydrophobicContact CD-CD1 3.62Å; K39-I42 HydrophobicContact CG-CD1 3.63Å; I42-R44 PolarHBondContact O-N 2.81Å; I42-Q618 HydrophobicContact CG2-CB 3.79Å; I42-Q619 PolarHBondContact O-NE2 3.04Å
43	P	91.6	Very high	70.2	Confident	9 Å²	9	75.2 Å²	75.2	6%	0.058	41%	0.409	C	S	.	.			trans	-60	132.4	175.4	26.3	-35.2	0	0	0	110.4	V493 E496 Q618	P43-V493 WeakPolarHBondContact CA-O 3.13Å; P43-V493 HydrophobicContact CB-CB 4.44Å; P43-V493 HydrophobicContact CB-CG1 3.68Å; P43-E496 HydrophobicContact CB-CB 3.7Å; P43-E496 HydrophobicContact CG-CB 3.78Å; P43-Q618 WeakPolarHBondContact O-CB 3.42Å
44	R	92	Very high	73.2	Confident	12 Å²	12	77.4 Å²	77.4	5%	0.045	41%	0.414	C	S	.	.	S	Bend	trans	-59.3	-52.3	175.5	-177.2	-164.8	178.5	77.2	10.7	110.5	I42 V493 L494 L546 S617 Q618 E669	I42-R44 PolarHBondContact O-N 2.81Å; R44-V493 PolarHBondContact N-O 3.36Å; R44-L494 WeakPolarHBondContact CB-O 3.11Å; R44-L494 PolarHBondContact N-O 2.95Å; R44-L546 VanDerWaalsContact CZ-O 3.26Å; R44-L546 PolarHBondContact NH1-O 3.22Å; R44-S617 WeakPolarHBondContact CG-OG 3.35Å; R44-S617 CarbonylContact O-C 3.54Å; R44-S617 VanDerWaalsContact O-CA 3.28Å; R44-S617 WeakPolarHBondContact O-CA 3.4Å; R44-Q618 PolarHBondContact O-N 3Å; R44-E669 IonicContact CZ-OE1 2.79Å; R44-E669 IonicContact CZ-OE2 3.49Å; R44-E669 IonicContact NH1-OE1 2.64Å; R44-E669 PolarHBondContact NH1-OE1 3.37Å; R44-E669 IonicContact NH1-OE2 3.24Å; R44-E669 PolarHBondContact NH1-OE2 3.49Å; R44-E669 IonicContact NH2-OE1 3.23Å; R44-E669 IonicContact NH2-OE2 2.74Å; R44-E669 PolarHBondContact NH2-OE2 2.73Å
45	L	92.9	Very high	76	Confident	11 Å²	11	73.2 Å²	73.2	6%	0.058	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	140.2	174.8	-67	-176.5	0	0	0	111.5	L494 E495 E496 Y537 K616	L45-L494 PolarHBondContact N-O 2.95Å; L45-E495 HydrophobicContact CB-CG 4.42Å; L45-E495 CarbonylContact O-C 3.56Å; L45-E495 VanDerWaalsContact O-CA 3.31Å; L45-E495 WeakPolarHBondContact O-CA 3.24Å; L45-E496 PolarHBondContact O-N 3.3Å; L45-Y537 HydrophobicContact CD1-CD1 3.32Å; L45-Y537 HydrophobicContact CD1-CE1 3.36Å; L45-Y537 HydrophobicContact CD1-CG 4.2Å; L45-Y537 HydrophobicContact CG-CD1 3.97Å; L45-Y537 HydrophobicContact CG-CE1 3.93Å; L45-K616 HydrophobicContact CD2-CB 4.32Å; L45-K616 WeakPolarHBondContact CD2-O 3.33Å
46	K	93.7	Very high	78.9	Confident	121 Å²	121	73.1 Å²	73.1	53%	0.526	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	117	169	-177.1	166.2	176.9	150.8	0	108.8	E496	K46-E496 WeakPolarHBondContact CA-O 3.37Å; K46-E496 VanDerWaalsContact CE-OE1 3.23Å; K46-E496 WeakPolarHBondContact CE-OE1 3.09Å; K46-E496 HydrophobicContact CG-CB 4.4Å; K46-E496 IonicContact NZ-OE1 2.79Å; K46-E496 PolarHBondContact NZ-OE1 3.22Å
47	L	94.3	Very high	81.8	Confident	25 Å²	25	71 Å²	71	13%	0.131	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	127.7	-177.3	-61.1	-178.4	0	0	0	110.2	D51 L52 E496 L497 Q498	L47-D51 HydrophobicContact CB-CB 4.34Å; L47-D51 HydrophobicContact CD2-CB 4.27Å; L47-L52 HydrophobicContact CB-CD2 4.11Å; L47-L52 HydrophobicContact CB-CG 4.16Å; L47-L52 HydrophobicContact CD1-CD2 3.87Å; L47-E496 PolarHBondContact N-O 3.16Å; L47-L497 HydrophobicContact CB-CD2 3.92Å; L47-L497 HydrophobicContact CD1-CD2 3.83Å; L47-L497 HydrophobicContact CG-CD2 4.06Å; L47-Q498 PolarHBondContact O-N 3.42Å
48	T	94.7	Very high	84.7	Confident	57 Å²	57	65.3 Å²	65.3	35%	0.35	33%	0.333	S	S	.	.			trans	-76.6	164.7	174	72.1	0	0	0	0	110.6	K50 D51 L52	T48-K50 PolarHBondContact O-N 2.85Å; T48-K50 PolarHBondContact OG1-N 2.79Å; T48-D51 WeakPolarHBondContact CB-OD2 3.4Å; T48-D51 WeakPolarHBondContact CG2-OD2 3.33Å; T48-D51 PolarHBondContact N-OD2 3.1Å; T48-D51 PolarHBondContact O-N 2.95Å; T48-D51 VanDerWaalsContact O-N 3.07Å; T48-D51 PolarHBondContact OG1-N 2.89Å; T48-D51 PolarHBondContact OG1-OD2 3.26Å; T48-L52 PolarHBondContact O-N 2.74Å; T48-L52 VanDerWaalsContact O-N 3.12Å
49	Y	93.6	Very high	87.4	Confident	50 Å²	50	64.1 Å²	64.1	20%	0.196	32%	0.319	C	S	.	.	H	α-helix	trans	-53	-37.9	173.4	178	-109.9	0	0	0	112.6	L53 Q498 I499 K501	Y49-L53 HydrophobicContact CD1-CD1 4.04Å; Y49-L53 HydrophobicContact CE1-CD1 3.41Å; Y49-L53 VanDerWaalsContact CE1-CD1 3.41Å; Y49-L53 HydrophobicContact CE1-CG 4.22Å; Y49-L53 HydrophobicContact CE2-CD1 4.31Å; Y49-L53 HydrophobicContact CE2-CD2 4.43Å; Y49-L53 HydrophobicContact CE2-CG 4.3Å; Y49-L53 WeakPolarHBondContact O-CG 3.32Å; Y49-L53 PolarHBondContact O-N 2.9Å; Y49-Q498 VanDerWaalsContact CA-O 3.28Å; Y49-Q498 WeakPolarHBondContact CA-O 3.45Å; Y49-Q498 PolarHBondContact N-O 2.85Å; Y49-I499 WeakPolarHBondContact CD2-O 3.02Å; Y49-I499 WeakPolarHBondContact CE2-O 3.39Å; Y49-K501 HydrophobicContact CD1-CB 3.83Å; Y49-K501 HydrophobicContact CD1-CG 4.29Å; Y49-K501 HydrophobicContact CE1-CB 3.85Å; Y49-K501 HydrophobicContact CE1-CG 4.43Å; Y49-K501 HydrophobicContact CG-CB 4.36Å
50	K	94.4	Very high	89.4	Confident	155 Å²	155	58.3 Å²	58.3	67%	0.674	30%	0.297	S	S	*	.	H	α-helix	trans	-67.6	-41.7	178.7	-68.5	-178.4	-179.6	176.6	0	111.7	T48 L52 L53 L54	T48-K50 PolarHBondContact O-N 2.85Å; T48-K50 PolarHBondContact OG1-N 2.79Å; K50-L52 VanDerWaalsContact C-N 3.31Å; K50-L52 PolarHBondContact O-N 2.73Å; K50-L53 PolarHBondContact O-N 3.26Å; K50-L54 WeakPolarHBondContact O-CB 3.44Å; K50-L54 VanDerWaalsContact O-CG 3.28Å; K50-L54 WeakPolarHBondContact O-CG 3.34Å; K50-L54 PolarHBondContact O-N 3.04Å
51	D	93.5	Very high	91.3	Very high	65 Å²	65	52.1 Å²	52.1	35%	0.348	27%	0.267	S	S	.	.	H	α-helix	trans	-62.5	-42.9	179.8	-54.7	-41.1	0	0	0	110.6	L47 T48 L53 L54 S55	L47-D51 HydrophobicContact CB-CB 4.34Å; L47-D51 HydrophobicContact CD2-CB 4.27Å; T48-D51 WeakPolarHBondContact CB-OD2 3.4Å; T48-D51 WeakPolarHBondContact CG2-OD2 3.33Å; T48-D51 PolarHBondContact N-OD2 3.1Å; T48-D51 PolarHBondContact O-N 2.95Å; T48-D51 VanDerWaalsContact O-N 3.07Å; T48-D51 PolarHBondContact OG1-N 2.89Å; T48-D51 PolarHBondContact OG1-OD2 3.26Å; D51-L53 VanDerWaalsContact C-N 3.35Å; D51-L53 PolarHBondContact O-N 3.24Å; D51-L54 PolarHBondContact O-N 3.5Å; D51-S55 PolarHBondContact O-N 2.89Å; D51-S55 PolarHBondContact O-OG 2.67Å
52	L	94.2	Very high	92	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64.6	-34.7	177.9	-68.5	174.8	0	0	0	113.7	L47 T48 K50 S57 C58 L497 Q498 I499 L529	L47-L52 HydrophobicContact CB-CD2 4.11Å; L47-L52 HydrophobicContact CB-CG 4.16Å; L47-L52 HydrophobicContact CD1-CD2 3.87Å; T48-L52 PolarHBondContact O-N 2.74Å; T48-L52 VanDerWaalsContact O-N 3.12Å; K50-L52 VanDerWaalsContact C-N 3.31Å; K50-L52 PolarHBondContact O-N 2.73Å; L52-S57 WeakPolarHBondContact O-CB 3.37Å; L52-S57 PolarHBondContact O-N 2.76Å; L52-C58 HydrophobicContact CB-CB 3.79Å; L52-C58 PolarHBondContact O-N 2.71Å; L52-L497 HydrophobicContact CD1-CB 4.22Å; L52-L497 HydrophobicContact CD2-CD2 4.23Å; L52-Q498 WeakPolarHBondContact CD1-O 3.47Å; L52-I499 HydrophobicContact CD1-CD1 4.26Å; L52-L529 HydrophobicContact CD2-CD1 4.43Å
53	L	93.3	Very high	91.2	Very high	58 Å²	58	56.1 Å²	56.1	30%	0.304	30%	0.295	S	S	.	.	H	α-helix	trans	-71.6	-44.7	173.8	-70.7	179.5	0	0	0	111.3	Y49 K50 D51 S55 N56 P60	Y49-L53 HydrophobicContact CD1-CD1 4.04Å; Y49-L53 HydrophobicContact CE1-CD1 3.41Å; Y49-L53 VanDerWaalsContact CE1-CD1 3.41Å; Y49-L53 HydrophobicContact CE1-CG 4.22Å; Y49-L53 HydrophobicContact CE2-CD1 4.31Å; Y49-L53 HydrophobicContact CE2-CD2 4.43Å; Y49-L53 HydrophobicContact CE2-CG 4.3Å; Y49-L53 WeakPolarHBondContact O-CG 3.32Å; Y49-L53 PolarHBondContact O-N 2.9Å; K50-L53 PolarHBondContact O-N 3.26Å; D51-L53 VanDerWaalsContact C-N 3.35Å; D51-L53 PolarHBondContact O-N 3.24Å; L53-S55 VanDerWaalsContact C-N 3.25Å; L53-S55 PolarHBondContact O-N 3.07Å; L53-N56 PolarHBondContact O-N 3.48Å; L53-P60 HydrophobicContact CD2-CG 4.12Å
54	L	92.3	Very high	90	Very high	146 Å²	146	57.7 Å²	57.7	76%	0.764	31%	0.306	S	S	*	.	H	α-helix	trans	-62.8	-33.5	-179.7	-71.9	171.3	0	0	0	112.2	K50 D51 N56	K50-L54 WeakPolarHBondContact O-CB 3.44Å; K50-L54 VanDerWaalsContact O-CG 3.28Å; K50-L54 WeakPolarHBondContact O-CG 3.34Å; K50-L54 PolarHBondContact O-N 3.04Å; D51-L54 PolarHBondContact O-N 3.5Å; L54-N56 VanDerWaalsContact C-N 3.31Å; L54-N56 PolarHBondContact O-N 2.62Å
55	S	89.3	Confident	88.2	Confident	46 Å²	46	61.3 Å²	61.3	32%	0.322	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	13.6	176.1	70.6	0	0	0	0	114	D51 L53 S57 R533	D51-S55 PolarHBondContact O-N 2.89Å; D51-S55 PolarHBondContact O-OG 2.67Å; L53-S55 VanDerWaalsContact C-N 3.25Å; L53-S55 PolarHBondContact O-N 3.07Å; S55-S57 WeakPolarHBondContact O-CB 3.36Å; S55-S57 PolarHBondContact O-N 2.74Å; S55-S57 PolarHBondContact O-OG 3.23Å; S55-S57 WeakPolarHBondContact OG-CB 3.31Å; S55-S57 PolarHBondContact OG-OG 2.82Å; S55-R533 PolarHBondContact OG-NH1 3.39Å
56	N	89.7	Confident	86.8	Confident	145 Å²	145	70.1 Å²	70.1	78%	0.775	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	45.1	179.6	-77.7	-20.9	0	0	0	114	L53 L54	L53-N56 PolarHBondContact O-N 3.48Å; L54-N56 VanDerWaalsContact C-N 3.31Å; L54-N56 PolarHBondContact O-N 2.62Å
57	S	90.1	Very high	85.7	Confident	14 Å²	14	66.6 Å²	66.6	10%	0.098	37%	0.371	C	S	.	.			trans	-120.4	-27.6	-157.8	-91.8	0	0	0	0	112.5	L52 S55 S530 R533	L52-S57 WeakPolarHBondContact O-CB 3.37Å; L52-S57 PolarHBondContact O-N 2.76Å; S55-S57 WeakPolarHBondContact O-CB 3.36Å; S55-S57 PolarHBondContact O-N 2.74Å; S55-S57 PolarHBondContact O-OG 3.23Å; S55-S57 WeakPolarHBondContact OG-CB 3.31Å; S55-S57 PolarHBondContact OG-OG 2.82Å; S57-S530 PolarHBondContact O-N 3.04Å; S57-R533 PolarHBondContact OG-NH1 3.17Å; S57-R533 PolarHBondContact OG-NH2 3.01Å
58	C	91.8	Very high	85.1	Confident	4 Å²	4	66.1 Å²	66.1	3%	0.027	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	132.8	161.5	161.4	0	0	0	0	107.2	L52 V527 Q528 L529	L52-C58 HydrophobicContact CB-CB 3.79Å; L52-C58 PolarHBondContact O-N 2.71Å; C58-V527 HydrophobicContact CB-CG1 4.18Å; C58-V527 WeakPolarHBondContact SG-CG1 3.3Å; C58-Q528 CarbonylContact C-O 3.5Å; C58-Q528 WeakPolarHBondContact CA-O 3.34Å; C58-L529 HydrophobicContact CB-CD1 4.32Å
59	I	93.1	Very high	84.6	Confident	62 Å²	62	64.4 Å²	64.4	32%	0.318	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	104.8	170.5	-58.7	171.2	0	0	0	106.7	Q528	I59-Q528 HydrophobicContact CB-CB 4.35Å; I59-Q528 PolarHBondContact N-O 2.96Å; I59-Q528 PolarHBondContact O-N 3.08Å
60	P	92.5	Very high	84.3	Confident	28 Å²	28	62.1 Å²	62.1	18%	0.182	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	145.2	174.5	30.1	-33.7	0	0	0	110.5	L53 L62 N99 V527	L53-P60 HydrophobicContact CD2-CG 4.12Å; P60-L62 HydrophobicContact CG-CD2 4.35Å; P60-L62 PolarHBondContact O-N 3.04Å; P60-N99 PolarHBondContact O-ND2 3.22Å; P60-V527 HydrophobicContact CB-CG2 4.38Å
61	F	92.3	Very high	83.8	Confident	13 Å²	13	55.6 Å²	55.6	6%	0.057	32%	0.321	C	S	.	.			trans	-73.5	120.7	168	178.5	-121.4	0	0	0	110	G63 F70 F91 L93 L98 F102 L526	F61-G63 VanDerWaalsContact CZ-CA 3.47Å; F61-F70 HydrophobicContact CD1-CE1 4.38Å; F61-F70 HydrophobicContact CD1-CZ 4.43Å; F61-F70 HydrophobicContact CE1-CE1 4.49Å; F61-F91 HydrophobicContact CE1-CD1 4.34Å; F61-F91 HydrophobicContact CE1-CE1 4.35Å; F61-F91 HydrophobicContact CZ-CD1 4.04Å; F61-F91 HydrophobicContact CZ-CE1 4.27Å; F61-L93 HydrophobicContact CD2-CD1 4.4Å; F61-L93 HydrophobicContact CD2-CD2 4.33Å; F61-L93 HydrophobicContact CE2-CD1 4.47Å; F61-L93 HydrophobicContact CE2-CD2 3.67Å; F61-L93 HydrophobicContact CZ-CD2 3.91Å; F61-L98 HydrophobicContact CB-CD1 4.28Å; F61-L98 HydrophobicContact CD2-CB 4.12Å; F61-L98 WeakPolarHBondContact CE2-O 2.85Å; F61-F102 AromaticContact CE2-CD1 3.88Å; F61-F102 HydrophobicContact CE2-CD1 3.88Å; F61-F102 HydrophobicContact CE2-CE1 4.14Å; F61-F102 HydrophobicContact CE2-CG 4.11Å; F61-F102 HydrophobicContact CZ-CD1 4.31Å; F61-F102 HydrophobicContact CZ-CD2 4.28Å; F61-F102 HydrophobicContact CZ-CE1 4.35Å; F61-F102 HydrophobicContact CZ-CE2 4.32Å; F61-F102 HydrophobicContact CZ-CG 4.28Å; F61-F102 HydrophobicContact CZ-CZ 4.36Å; F61-L526 HydrophobicContact CB-CB 3.95Å; F61-L526 HydrophobicContact CB-CD2 4.41Å; F61-L526 HydrophobicContact CB-CG 4.44Å; F61-L526 WeakPolarHBondContact CB-O 3.37Å; F61-L526 PolarHBondContact N-O 3.48Å
62	L	86.3	Confident	83.8	Confident	133 Å²	133	53.2 Å²	53.2	70%	0.696	31%	0.309	S	S	*	.			trans	-93.1	-4.9	-175.6	-58.3	177.3	0	0	0	113	P60 S64 N99	P60-L62 HydrophobicContact CG-CD2 4.35Å; P60-L62 PolarHBondContact O-N 3.04Å; L62-S64 PolarHBondContact O-N 3.14Å; L62-N99 WeakPolarHBondContact CB-OD1 3.36Å; L62-N99 PolarHBondContact N-OD1 2.84Å
63	G	69.3	Low	83.9	Confident	25 Å²	25	54 Å²	54	26%	0.258	31%	0.312	S	S	.	.			trans	-76	17.6	-173.6	0	0	0	0	0	115.8	F61	F61-G63 VanDerWaalsContact CZ-CA 3.47Å
64	S	65.9	Low	84	Confident	42 Å²	42	52.6 Å²	52.6	29%	0.294	31%	0.305	S	S	.	.			trans	-123.6	136.2	-169.4	-163.3	0	0	0	0	114.7	L62 L68 F70	L62-S64 PolarHBondContact O-N 3.14Å; S64-L68 WeakPolarHBondContact OG-CD1 3.11Å; S64-L68 WeakPolarHBondContact OG-CG 3.35Å; S64-F70 WeakPolarHBondContact OG-CZ 3.5Å
65	S	54.9	Low	84.2	Confident	88 Å²	88	47.3 Å²	47.3	62%	0.615	28%	0.278	S	S	*	.			trans	-74	152.5	150.8	50.1	0	0	0	0	109.7
66	E	63.5	Low	84.3	Confident	196 Å²	196	46.7 Å²	46.7	92%	0.916	27%	0.271	S	S	*	.	S	Bend	trans	-53.1	143.8	175.6	-65.7	176.8	167.7	0	0	111.9
67	G	71.1	Confident	84.4	Confident	46 Å²	46	42.4 Å²	42.4	47%	0.474	25%	0.246	S	C	.	.			trans	88.5	26.5	170.6	0	0	0	0	0	117.3	K87	G67-K87 WeakPolarHBondContact O-CD 3.05Å
68	L	80.6	Confident	84.3	Confident	16 Å²	16	48.8 Å²	48.8	8%	0.084	27%	0.274	C	S	.	.			trans	-84.3	-17.5	176.4	-75.1	-167.7	0	0	0	114.9	S64 F70 A86 K87 F91	S64-L68 WeakPolarHBondContact OG-CD1 3.11Å; S64-L68 WeakPolarHBondContact OG-CG 3.35Å; L68-F70 HydrophobicContact CB-CE1 4.15Å; L68-F70 HydrophobicContact CB-CE2 4.12Å; L68-F70 HydrophobicContact CB-CZ 3.82Å; L68-F70 HydrophobicContact CD1-CE1 4.29Å; L68-F70 HydrophobicContact CD1-CZ 4.12Å; L68-A86 HydrophobicContact CB-CB 4.32Å; L68-A86 WeakPolarHBondContact O-CB 3.33Å; L68-K87 WeakPolarHBondContact O-CA 3.28Å; L68-K87 WeakPolarHBondContact O-CB 3.45Å; L68-K87 PolarHBondContact O-N 2.81Å; L68-F91 HydrophobicContact CD1-CE2 3.96Å; L68-F91 HydrophobicContact CD1-CZ 3.7Å
69	D	84.8	Confident	84	Confident	21 Å²	21	51.4 Å²	51.4	11%	0.112	28%	0.284	C	S	.	.			trans	53.1	83.4	175.9	-154.3	-9.1	0	0	0	114.9	Q71 A86 F131 L507 R523	D69-Q71 HydrophobicContact CB-CG 4.42Å; D69-Q71 PolarHBondContact O-N 3.37Å; D69-Q71 WeakPolarHBondContact OD1-CG 3.32Å; D69-Q71 PolarHBondContact OD1-NE2 2.98Å; D69-Q71 PolarHBondContact OD2-NE2 3.14Å; D69-A86 WeakPolarHBondContact O-CA 3.44Å; D69-F131 HydrophobicContact CB-CD1 4.22Å; D69-F131 HydrophobicContact CB-CE1 3.95Å; D69-L507 WeakPolarHBondContact OD1-CD1 3.45Å; D69-R523 WeakPolarHBondContact CA-O 3.36Å; D69-R523 PolarHBondContact N-O 3.12Å
70	F	87.3	Confident	83.9	Confident	1 Å²	1	49.7 Å²	49.7	0%	0.004	28%	0.281	C	S	.	.			trans	-82.6	81.4	-172.7	-59.4	-77.8	0	0	0	111.7	F61 S64 L68 L84 A86 F91 N508 S522 G525	F61-F70 HydrophobicContact CD1-CE1 4.38Å; F61-F70 HydrophobicContact CD1-CZ 4.43Å; F61-F70 HydrophobicContact CE1-CE1 4.49Å; S64-F70 WeakPolarHBondContact OG-CZ 3.5Å; L68-F70 HydrophobicContact CB-CE1 4.15Å; L68-F70 HydrophobicContact CB-CE2 4.12Å; L68-F70 HydrophobicContact CB-CZ 3.82Å; L68-F70 HydrophobicContact CD1-CE1 4.29Å; L68-F70 HydrophobicContact CD1-CZ 4.12Å; F70-L84 HydrophobicContact CB-CD1 3.9Å; F70-L84 HydrophobicContact CD1-CD1 3.76Å; F70-L84 HydrophobicContact CD1-CD2 3.31Å; F70-L84 HydrophobicContact CD1-CG 3.8Å; F70-L84 HydrophobicContact CE1-CD2 3.6Å; F70-L84 HydrophobicContact CE1-CG 4.44Å; F70-L84 HydrophobicContact CG-CD1 4.3Å; F70-L84 HydrophobicContact CG-CD2 4.38Å; F70-A86 HydrophobicContact CD1-CB 4.09Å; F70-A86 HydrophobicContact CE1-CB 4.35Å; F70-F91 HydrophobicContact CE1-CE2 4.43Å; F70-N508 PolarHBondContact O-ND2 3.48Å; F70-S522 VanDerWaalsContact CB-O 3.27Å; F70-S522 WeakPolarHBondContact CB-O 3.47Å; F70-S522 WeakPolarHBondContact CD2-O 3.23Å; F70-S522 PolarHBondContact N-O 2.65Å; F70-G525 WeakPolarHBondContact CD2-O 3.36Å
71	Q	84.4	Confident	83.8	Confident	18 Å²	18	49.2 Å²	49.2	8%	0.084	28%	0.275	C	S	.	.			trans	-95.3	-24.5	-166.2	-68.2	-176.2	-6	0	0	115.3	D69 G85 L507 N508	D69-Q71 HydrophobicContact CB-CG 4.42Å; D69-Q71 PolarHBondContact O-N 3.37Å; D69-Q71 WeakPolarHBondContact OD1-CG 3.32Å; D69-Q71 PolarHBondContact OD1-NE2 2.98Å; D69-Q71 PolarHBondContact OD2-NE2 3.14Å; Q71-G85 PolarHBondContact N-O 2.87Å; Q71-L507 HydrophobicContact CG-CD1 4.03Å; Q71-N508 PolarHBondContact O-ND2 3.3Å
72	T	93.4	Very high	84	Confident	16 Å²	16	48.6 Å²	48.6	10%	0.098	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	127.9	-172.4	-49.5	0	0	0	0	111.1	L84 G85 I132 R133 L135 N508	T72-L84 WeakPolarHBondContact O-CA 3.32Å; T72-G85 PolarHBondContact N-O 3.16Å; T72-G85 PolarHBondContact O-N 2.9Å; T72-I132 PolarHBondContact OG1-O 3.41Å; T72-R133 WeakPolarHBondContact CG2-O 3.48Å; T72-R133 WeakPolarHBondContact OG1-CA 3.48Å; T72-R133 PolarHBondContact OG1-O 3.47Å; T72-L135 HydrophobicContact CG2-CB 3.96Å; T72-L135 HydrophobicContact CG2-CD1 3.93Å; T72-L135 HydrophobicContact CG2-CG 4.03Å; T72-N508 PolarHBondContact N-ND2 3.32Å
73	L	95.6	Very high	84.4	Confident	15 Å²	15	42.3 Å²	42.3	8%	0.079	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	144.2	173.5	-66.5	175.3	0	0	0	109.7	L82 L84 N508 E510 L526	L73-L82 HydrophobicContact CB-CD1 4.42Å; L73-L82 HydrophobicContact CD2-CD1 4.19Å; L73-L82 HydrophobicContact CD2-CD2 4.16Å; L73-L82 HydrophobicContact CD2-CG 4.27Å; L73-L84 HydrophobicContact CD2-CB 4.26Å; L73-L84 HydrophobicContact CD2-CD1 3.48Å; L73-L84 VanDerWaalsContact CD2-CD1 3.48Å; L73-L84 HydrophobicContact CD2-CG 4.45Å; L73-L84 HydrophobicContact CG-CD1 4.49Å; L73-N508 HydrophobicContact CD1-CB 4.46Å; L73-N508 WeakPolarHBondContact CD1-OD1 3.34Å; L73-E510 HydrophobicContact CB-CG 3.6Å; L73-E510 HydrophobicContact CD1-CB 4.18Å; L73-E510 HydrophobicContact CD1-CG 3.97Å; L73-E510 HydrophobicContact CG-CG 4.44Å; L73-L526 HydrophobicContact CD1-CD1 4.32Å; L73-L526 HydrophobicContact CD2-CD1 3.94Å
74	L	96.3	Very high	85.7	Confident	30 Å²	30	41.1 Å²	41.1	16%	0.157	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	108.4	168.1	173.3	68.5	0	0	0	108.3	L83 L135 I143	L74-L83 HydrophobicContact CB-CB 4.18Å; L74-L83 PolarHBondContact N-O 3.37Å; L74-L83 PolarHBondContact O-N 2.97Å; L74-L135 HydrophobicContact CB-CB 3.99Å; L74-L135 HydrophobicContact CD2-CB 4.27Å; L74-I143 HydrophobicContact CD2-CD1 3.99Å; L74-I143 HydrophobicContact CD2-CG2 4.06Å
75	L	95.4	Very high	87.1	Confident	35 Å²	35	39.1 Å²	39.1	18%	0.183	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	121.1	-179.6	178.5	62.4	0	0	0	110.8	E77 L82 L95 L511 Y519	L75-E77 HydrophobicContact CD1-CG 4.17Å; L75-E77 HydrophobicContact CD2-CG 3.86Å; L75-E77 HydrophobicContact CG-CG 3.86Å; L75-L82 HydrophobicContact CB-CD1 4.36Å; L75-L82 HydrophobicContact CD1-CD1 4.36Å; L75-L95 HydrophobicContact CD1-CD1 3.71Å; L75-L95 HydrophobicContact CD1-CD2 3.39Å; L75-L95 HydrophobicContact CD1-CG 4.22Å; L75-L511 WeakPolarHBondContact CD2-O 3.36Å; L75-Y519 HydrophobicContact CD1-CD2 4.43Å; L75-Y519 HydrophobicContact CD1-CE2 4.1Å
76	D	92	Very high	89	Confident	33 Å²	33	35 Å²	35	18%	0.176	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	86.1	171.2	-178.6	-12	0	0	0	109.4	E78 R79 G80 R81	D76-E78 VanDerWaalsContact C-N 3.26Å; D76-E78 PolarHBondContact O-N 3.48Å; D76-E78 PolarHBondContact OD1-N 3.34Å; D76-E78 VanDerWaalsContact OD1-N 3.17Å; D76-R79 PolarHBondContact OD1-N 2.6Å; D76-R79 WeakPolarHBondContact OD2-CB 3.5Å; D76-R79 WeakPolarHBondContact OD2-CD 3.35Å; D76-R79 VanDerWaalsContact OD2-CG 3.26Å; D76-R79 WeakPolarHBondContact OD2-CG 3.2Å; D76-G80 PolarHBondContact O-N 3.19Å; D76-R81 CarbonylContact C-O 3.47Å; D76-R81 WeakPolarHBondContact CA-O 3.11Å; D76-R81 PolarHBondContact N-O 3.49Å; D76-R81 PolarHBondContact O-N 3.03Å
77	E	91.1	Very high	90.4	Very high	55 Å²	55	27.7 Å²	27.7	26%	0.257	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-27	178.5	-69.4	-158.1	130.3	0	0	113.2	L75 S512 L513 K514	L75-E77 HydrophobicContact CD1-CG 4.17Å; L75-E77 HydrophobicContact CD2-CG 3.86Å; L75-E77 HydrophobicContact CG-CG 3.86Å; E77-S512 WeakPolarHBondContact OE1-CA 3.21Å; E77-S512 WeakPolarHBondContact OE1-CB 3.22Å; E77-S512 PolarHBondContact OE1-OG 3.24Å; E77-L513 PolarHBondContact OE1-N 2.67Å; E77-K514 HydrophobicContact CB-CD 4.16Å; E77-K514 PolarHBondContact OE1-N 2.85Å; E77-K514 VanDerWaalsContact OE1-N 3.08Å; E77-K514 WeakPolarHBondContact OE2-CE 3.38Å
78	E	88.1	Confident	91.5	Very high	148 Å²	148	26.7 Å²	26.7	69%	0.692	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	-34.2	-177.6	-64.4	-165.1	159.7	0	0	112.3	D76 K164	D76-E78 VanDerWaalsContact C-N 3.26Å; D76-E78 PolarHBondContact O-N 3.48Å; D76-E78 PolarHBondContact OD1-N 3.34Å; D76-E78 VanDerWaalsContact OD1-N 3.17Å; E78-K164 PolarHBondContact O-NZ 2.68Å
79	R	87.1	Confident	92.2	Very high	59 Å²	59	27.6 Å²	27.6	22%	0.223	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-5.5	177.5	-58.1	-171.4	173.4	171.9	-9.6	113.2	D76 R81 K140	D76-R79 PolarHBondContact OD1-N 2.6Å; D76-R79 WeakPolarHBondContact OD2-CB 3.5Å; D76-R79 WeakPolarHBondContact OD2-CD 3.35Å; D76-R79 VanDerWaalsContact OD2-CG 3.26Å; D76-R79 WeakPolarHBondContact OD2-CG 3.2Å; R79-R81 HydrophobicContact CB-CG 4.21Å; R79-K140 PolarHBondContact NH1-O 3.1Å; R79-K140 PolarHBondContact NH2-O 2.94Å
80	G	89.8	Confident	92.7	Very high	25 Å²	25	26.6 Å²	26.6	26%	0.258	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	33.2	179.8	0	0	0	0	0	112.8	D76 L95	D76-G80 PolarHBondContact O-N 3.19Å; G80-L95 VanDerWaalsContact C-CG 3.46Å; G80-L95 PolarHBondContact O-N 3.02Å; G80-L95 VanDerWaalsContact O-N 3.09Å
81	R	91.5	Very high	93.1	Very high	18 Å²	18	26.7 Å²	26.7	7%	0.068	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	150.4	-171.9	-59.8	174.1	-164.6	170.6	4.3	112.1	D76 R79 L92 L93 K164	D76-R81 CarbonylContact C-O 3.47Å; D76-R81 WeakPolarHBondContact CA-O 3.11Å; D76-R81 PolarHBondContact N-O 3.49Å; D76-R81 PolarHBondContact O-N 3.03Å; R79-R81 HydrophobicContact CB-CG 4.21Å; R81-L92 HydrophobicContact CB-CD1 3.99Å; R81-L92 HydrophobicContact CG-CD1 4.39Å; R81-L93 WeakPolarHBondContact CA-O 3.48Å; R81-K164 PolarHBondContact NH2-O 2.9Å
82	L	95.1	Very high	93.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	121.2	170.1	-177	66.9	0	0	0	108.4	L73 L75 L93 L95 L98 Y519 L526	L73-L82 HydrophobicContact CB-CD1 4.42Å; L73-L82 HydrophobicContact CD2-CD1 4.19Å; L73-L82 HydrophobicContact CD2-CD2 4.16Å; L73-L82 HydrophobicContact CD2-CG 4.27Å; L75-L82 HydrophobicContact CB-CD1 4.36Å; L75-L82 HydrophobicContact CD1-CD1 4.36Å; L82-L93 HydrophobicContact CB-CB 4.28Å; L82-L93 HydrophobicContact CD2-CD1 4.4Å; L82-L93 PolarHBondContact N-O 2.64Å; L82-L93 PolarHBondContact O-N 3.04Å; L82-L95 HydrophobicContact CB-CD2 3.68Å; L82-L98 HydrophobicContact CD2-CD2 4.12Å; L82-Y519 HydrophobicContact CD2-CD1 3.69Å; L82-Y519 HydrophobicContact CD2-CD2 4.49Å; L82-Y519 HydrophobicContact CD2-CE1 4.24Å; L82-Y519 HydrophobicContact CD2-CG 3.84Å; L82-L526 HydrophobicContact CD2-CD2 4.03Å
83	L	95.8	Very high	93.6	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	136.2	167.1	-76.6	86.6	0	0	0	109.1	L74 F91 L92 L135 I143 F169	L74-L83 HydrophobicContact CB-CB 4.18Å; L74-L83 PolarHBondContact N-O 3.37Å; L74-L83 PolarHBondContact O-N 2.97Å; L83-F91 WeakPolarHBondContact CA-O 3.26Å; L83-L92 HydrophobicContact CD1-CD1 3.62Å; L83-L92 HydrophobicContact CG-CD1 3.77Å; L83-L135 HydrophobicContact CB-CD1 4.26Å; L83-I143 HydrophobicContact CD2-CG1 4.06Å; L83-I143 HydrophobicContact CD2-CG2 4.29Å; L83-F169 HydrophobicContact CD2-CE2 4.31Å
84	L	95.9	Very high	93.5	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	117.7	-178.9	168.6	66.9	0	0	0	109.7	F70 T72 L73 I90 F91 L93 L526	F70-L84 HydrophobicContact CB-CD1 3.9Å; F70-L84 HydrophobicContact CD1-CD1 3.76Å; F70-L84 HydrophobicContact CD1-CD2 3.31Å; F70-L84 HydrophobicContact CD1-CG 3.8Å; F70-L84 HydrophobicContact CE1-CD2 3.6Å; F70-L84 HydrophobicContact CE1-CG 4.44Å; F70-L84 HydrophobicContact CG-CD1 4.3Å; F70-L84 HydrophobicContact CG-CD2 4.38Å; T72-L84 WeakPolarHBondContact O-CA 3.32Å; L73-L84 HydrophobicContact CD2-CB 4.26Å; L73-L84 HydrophobicContact CD2-CD1 3.48Å; L73-L84 VanDerWaalsContact CD2-CD1 3.48Å; L73-L84 HydrophobicContact CD2-CG 4.45Å; L73-L84 HydrophobicContact CG-CD1 4.49Å; L84-I90 CarbonylContact O-C 3.48Å; L84-I90 WeakPolarHBondContact O-CA 3.49Å; L84-F91 HydrophobicContact CB-CB 4.19Å; L84-F91 HydrophobicContact CD2-CB 4.45Å; L84-F91 HydrophobicContact CD2-CD2 4.08Å; L84-F91 HydrophobicContact CG-CD2 4.3Å; L84-F91 PolarHBondContact N-O 3.46Å; L84-F91 PolarHBondContact O-N 3.03Å; L84-L93 HydrophobicContact CB-CD1 4.43Å; L84-L93 HydrophobicContact CD2-CD1 4.14Å; L84-L526 HydrophobicContact CD2-CB 4.28Å; L84-L526 HydrophobicContact CD2-CD2 3.75Å
85	G	95.5	Very high	93.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	126.8	172.5	0	0	0	0	0	110.7	Q71 T72	Q71-G85 PolarHBondContact N-O 2.87Å; T72-G85 PolarHBondContact N-O 3.16Å; T72-G85 PolarHBondContact O-N 2.9Å
86	A	94.1	Very high	93	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.008	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	179.3	-179.3	0	0	0	0	0	110.5	L68 D69 F70 D88 H89 F91 I132	L68-A86 HydrophobicContact CB-CB 4.32Å; L68-A86 WeakPolarHBondContact O-CB 3.33Å; D69-A86 WeakPolarHBondContact O-CA 3.44Å; F70-A86 HydrophobicContact CD1-CB 4.09Å; F70-A86 HydrophobicContact CE1-CB 4.35Å; A86-D88 PolarHBondContact O-N 3.41Å; A86-H89 CarbonylContact C-O 3.57Å; A86-H89 HydrophobicContact CB-CB 4.44Å; A86-H89 PolarHBondContact N-O 3.15Å; A86-H89 PolarHBondContact O-N 3.4Å; A86-H89 VanDerWaalsContact O-O 3.13Å; A86-F91 HydrophobicContact CB-CD2 4.43Å; A86-F91 HydrophobicContact CB-CE2 4.02Å; A86-I132 VanDerWaalsContact O-CG1 3.28Å; A86-I132 WeakPolarHBondContact O-CG1 3.05Å; A86-I132 PolarHBondContact O-N 3.27Å
87	K	94.2	Very high	92.8	Very high	44 Å²	44	30 Å²	30	19%	0.191	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-59.9	117.8	169.6	-175.8	-175	172.1	-175.9	0	110.7	G67 L68 H89 N125 A129 F131	G67-K87 WeakPolarHBondContact O-CD 3.05Å; L68-K87 WeakPolarHBondContact O-CA 3.28Å; L68-K87 WeakPolarHBondContact O-CB 3.45Å; L68-K87 PolarHBondContact O-N 2.81Å; K87-H89 PolarHBondContact O-N 3.23Å; K87-H89 PolarHBondContact O-ND1 3.02Å; K87-N125 PolarHBondContact NZ-O 3.17Å; K87-A129 HydrophobicContact CD-CB 4.12Å; K87-A129 HydrophobicContact CG-CB 3.76Å; K87-F131 HydrophobicContact CB-CD1 3.99Å; K87-F131 HydrophobicContact CB-CE1 3.86Å; K87-F131 HydrophobicContact CB-CZ 4.49Å; K87-F131 HydrophobicContact CD-CE1 4Å; K87-F131 HydrophobicContact CD-CZ 3.94Å; K87-F131 HydrophobicContact CG-CD1 4.26Å; K87-F131 HydrophobicContact CG-CE1 3.87Å; K87-F131 HydrophobicContact CG-CE2 4.5Å; K87-F131 HydrophobicContact CG-CZ 3.99Å
88	D	94.4	Very high	92.8	Very high	25 Å²	25	27.4 Å²	27.4	13%	0.134	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	6.9	-179.4	-54.4	-48.1	0	0	0	115	A86 Y106 W107 P108 N130	A86-D88 PolarHBondContact O-N 3.41Å; D88-Y106 HydrophobicContact CB-CD2 4.26Å; D88-Y106 HydrophobicContact CB-CE2 3.82Å; D88-Y106 WeakPolarHBondContact O-CD2 3.33Å; D88-W107 CarbonylContact O-C 3.53Å; D88-W107 PolarHBondContact O-N 3.04Å; D88-P108 HydrophobicContact CB-CB 4.09Å; D88-P108 WeakPolarHBondContact OD1-CA 3.3Å; D88-N130 WeakPolarHBondContact CA-O 3.4Å; D88-N130 PolarHBondContact N-O 2.9Å; D88-N130 WeakPolarHBondContact OD1-CB 3.03Å; D88-N130 PolarHBondContact OD1-N 3.07Å
89	H	94.6	Very high	93	Very high	34 Å²	34	22.5 Å²	22.5	16%	0.157	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	148.8	-169.8	-65.4	84.6	0	0	0	112.6	A86 K87 F91 I105 Y106	A86-H89 CarbonylContact C-O 3.57Å; A86-H89 HydrophobicContact CB-CB 4.44Å; A86-H89 PolarHBondContact N-O 3.15Å; A86-H89 PolarHBondContact O-N 3.4Å; A86-H89 VanDerWaalsContact O-O 3.13Å; K87-H89 PolarHBondContact O-N 3.23Å; K87-H89 PolarHBondContact O-ND1 3.02Å; H89-F91 HydrophobicContact CB-CD2 4.36Å; H89-F91 HydrophobicContact CB-CE2 3.61Å; H89-F91 HydrophobicContact CB-CZ 3.92Å; H89-I105 VanDerWaalsContact CA-O 3.31Å; H89-I105 WeakPolarHBondContact CA-O 2.76Å; H89-Y106 AromaticContact CD2-CD2 3.8Å; H89-Y106 AromaticContact CE1-CD2 3.48Å; H89-Y106 VanDerWaalsContact CE1-CD2 3.48Å; H89-Y106 WeakPolarHBondContact CE1-CD2 3.43Å; H89-Y106 AromaticContact CE1-CE2 3.68Å; H89-Y106 AromaticContact NE2-CD2 3.28Å; H89-Y106 VanDerWaalsContact NE2-CD2 3.28Å; H89-Y106 WeakPolarHBondContact NE2-CD2 3.49Å; H89-Y106 AromaticContact NE2-CE2 3.89Å
90	I	96.1	Very high	93.1	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	127.1	170.2	-50.9	169.7	0	0	0	107.6	L84 K104 I105 W107 I132 L135 V145 I158 F169	L84-I90 CarbonylContact O-C 3.48Å; L84-I90 WeakPolarHBondContact O-CA 3.49Å; I90-K104 CarbonylContact O-C 3.55Å; I90-K104 WeakPolarHBondContact O-CA 3.19Å; I90-I105 HydrophobicContact CB-CB 4.36Å; I90-I105 PolarHBondContact N-O 2.94Å; I90-I105 PolarHBondContact O-N 2.84Å; I90-W107 HydrophobicContact CD1-CE3 4.11Å; I90-I132 HydrophobicContact CD1-CD1 4.14Å; I90-I132 HydrophobicContact CD1-CG1 4.33Å; I90-I132 HydrophobicContact CG1-CD1 4.09Å; I90-I132 HydrophobicContact CG1-CG1 3.77Å; I90-I132 HydrophobicContact CG1-CG2 4.29Å; I90-L135 HydrophobicContact CG2-CD2 4.36Å; I90-V145 HydrophobicContact CD1-CG2 3.69Å; I90-I158 HydrophobicContact CD1-CD1 3.55Å; I90-I158 HydrophobicContact CG2-CD1 4.16Å; I90-F169 HydrophobicContact CB-CZ 4.47Å; I90-F169 HydrophobicContact CG2-CZ 4.05Å
91	F	94.8	Very high	92.8	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.018	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	146	179.1	-58.1	-94.4	0	0	0	110.6	F61 L68 F70 L83 L84 A86 H89 L93 F102 K103 K104	F61-F91 HydrophobicContact CE1-CD1 4.34Å; F61-F91 HydrophobicContact CE1-CE1 4.35Å; F61-F91 HydrophobicContact CZ-CD1 4.04Å; F61-F91 HydrophobicContact CZ-CE1 4.27Å; L68-F91 HydrophobicContact CD1-CE2 3.96Å; L68-F91 HydrophobicContact CD1-CZ 3.7Å; F70-F91 HydrophobicContact CE1-CE2 4.43Å; L83-F91 WeakPolarHBondContact CA-O 3.26Å; L84-F91 HydrophobicContact CB-CB 4.19Å; L84-F91 HydrophobicContact CD2-CB 4.45Å; L84-F91 HydrophobicContact CD2-CD2 4.08Å; L84-F91 HydrophobicContact CG-CD2 4.3Å; L84-F91 PolarHBondContact N-O 3.46Å; L84-F91 PolarHBondContact O-N 3.03Å; A86-F91 HydrophobicContact CB-CD2 4.43Å; A86-F91 HydrophobicContact CB-CE2 4.02Å; H89-F91 HydrophobicContact CB-CD2 4.36Å; H89-F91 HydrophobicContact CB-CE2 3.61Å; H89-F91 HydrophobicContact CB-CZ 3.92Å; F91-L93 HydrophobicContact CB-CD2 3.83Å; F91-L93 HydrophobicContact CB-CG 4.23Å; F91-F102 HydrophobicContact CD1-CD2 4.02Å; F91-F102 HydrophobicContact CD1-CE2 4.21Å; F91-F102 HydrophobicContact CE1-CE2 4.24Å; F91-K103 WeakPolarHBondContact CA-O 3.44Å; F91-K104 HydrophobicContact CD1-CB 3.86Å; F91-K104 HydrophobicContact CE1-CB 3.96Å; F91-K104 HydrophobicContact CE1-CD 4.42Å
92	L	94.7	Very high	92.8	Very high	11 Å²	11	34.1 Å²	34.1	6%	0.058	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	112.4	166.5	-176.6	71.4	0	0	0	108.2	R81 L83 F102 K103 V167 F169	R81-L92 HydrophobicContact CB-CD1 3.99Å; R81-L92 HydrophobicContact CG-CD1 4.39Å; L83-L92 HydrophobicContact CD1-CD1 3.62Å; L83-L92 HydrophobicContact CG-CD1 3.77Å; L92-F102 WeakPolarHBondContact O-CA 3.49Å; L92-K103 HydrophobicContact CB-CB 4.3Å; L92-K103 PolarHBondContact N-O 2.64Å; L92-K103 PolarHBondContact O-N 2.81Å; L92-V167 HydrophobicContact CD2-CB 4.44Å; L92-V167 HydrophobicContact CD2-CG1 3.67Å; L92-F169 HydrophobicContact CB-CD1 4.16Å; L92-F169 HydrophobicContact CB-CD2 3.93Å; L92-F169 HydrophobicContact CB-CE1 3.9Å; L92-F169 HydrophobicContact CB-CE2 3.7Å; L92-F169 HydrophobicContact CB-CG 4.17Å; L92-F169 HydrophobicContact CB-CZ 3.68Å; L92-F169 HydrophobicContact CD2-CB 4.28Å; L92-F169 HydrophobicContact CD2-CD2 3.97Å; L92-F169 HydrophobicContact CD2-CG 4.09Å; L92-F169 HydrophobicContact CG-CD2 4.41Å; L92-F169 HydrophobicContact CG-CE2 4.48Å
93	L	94.2	Very high	92.6	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.016	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	154.6	-174.5	-47.2	-178.2	0	0	0	110.5	F61 R81 L82 L84 F91 L98 F102 L526	F61-L93 HydrophobicContact CD2-CD1 4.4Å; F61-L93 HydrophobicContact CD2-CD2 4.33Å; F61-L93 HydrophobicContact CE2-CD1 4.47Å; F61-L93 HydrophobicContact CE2-CD2 3.67Å; F61-L93 HydrophobicContact CZ-CD2 3.91Å; R81-L93 WeakPolarHBondContact CA-O 3.48Å; L82-L93 HydrophobicContact CB-CB 4.28Å; L82-L93 HydrophobicContact CD2-CD1 4.4Å; L82-L93 PolarHBondContact N-O 2.64Å; L82-L93 PolarHBondContact O-N 3.04Å; L84-L93 HydrophobicContact CB-CD1 4.43Å; L84-L93 HydrophobicContact CD2-CD1 4.14Å; F91-L93 HydrophobicContact CB-CD2 3.83Å; F91-L93 HydrophobicContact CB-CG 4.23Å; L93-L98 HydrophobicContact CB-CD2 4.07Å; L93-L98 HydrophobicContact CD1-CD2 3.92Å; L93-F102 HydrophobicContact CD2-CB 3.48Å; L93-F102 VanDerWaalsContact CD2-CB 3.48Å; L93-F102 HydrophobicContact CD2-CG 4.22Å; L93-L526 HydrophobicContact CD1-CD2 3.38Å
94	S	92.3	Very high	92.5	Very high	42 Å²	42	44.7 Å²	44.7	29%	0.294	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	138.6	169.5	173.6	0	0	0	0	109.8	V96 D97	S94-V96 PolarHBondContact O-N 3.27Å; S94-V96 PolarHBondContact OG-N 2.7Å; S94-D97 CarbonylContact O-C 3.59Å
95	L	92.4	Very high	92.5	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	23%	0.227	C	C	.	.	S	Bend	trans	-69.9	-21.3	176.5	-66.3	-179.3	0	0	0	113.7	L75 G80 L82 Q515 Y519 Q528	L75-L95 HydrophobicContact CD1-CD1 3.71Å; L75-L95 HydrophobicContact CD1-CD2 3.39Å; L75-L95 HydrophobicContact CD1-CG 4.22Å; G80-L95 VanDerWaalsContact C-CG 3.46Å; G80-L95 PolarHBondContact O-N 3.02Å; G80-L95 VanDerWaalsContact O-N 3.09Å; L82-L95 HydrophobicContact CB-CD2 3.68Å; L95-Q515 HydrophobicContact CB-CG 4.02Å; L95-Q515 HydrophobicContact CD1-CG 4.37Å; L95-Y519 WeakPolarHBondContact CA-OH 3.2Å; L95-Y519 WeakPolarHBondContact CB-OH 3.05Å; L95-Y519 HydrophobicContact CD2-CE1 4.28Å; L95-Y519 HydrophobicContact CD2-CE2 3.7Å; L95-Y519 WeakPolarHBondContact CD2-OH 3.44Å; L95-Y519 PolarHBondContact O-OH 3.25Å; L95-Q528 PolarHBondContact O-NE2 2.87Å
96	V	88.6	Confident	92.5	Very high	102 Å²	102	52.6 Å²	52.6	62%	0.618	25%	0.254	S	S	*	.	S	Bend	trans	-79.1	-43	-179.3	-180	0	0	0	0	111.3	S94	S94-V96 PolarHBondContact O-N 3.27Å; S94-V96 PolarHBondContact OG-N 2.7Å
97	D	88.4	Confident	92.6	Very high	58 Å²	58	53.4 Å²	53.4	31%	0.31	26%	0.257	S	S	.	.			trans	-149	109.3	179.8	-179.6	-6.7	0	0	0	109	S94 N99 K100	S94-D97 CarbonylContact O-C 3.59Å; D97-N99 PolarHBondContact O-N 3.33Å; D97-N99 VanDerWaalsContact O-N 3.14Å; D97-N99 WeakPolarHBondContact OD1-CB 3.42Å; D97-N99 PolarHBondContact OD1-N 2.97Å; D97-K100 HydrophobicContact CB-CB 4.03Å; D97-K100 PolarHBondContact O-N 2.81Å
98	L	91.3	Very high	92.7	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-25.9	-179.3	-61.9	-178	0	0	0	113	F61 L82 L93 Y519 L526 Q528	F61-L98 HydrophobicContact CB-CD1 4.28Å; F61-L98 HydrophobicContact CD2-CB 4.12Å; F61-L98 WeakPolarHBondContact CE2-O 2.85Å; L82-L98 HydrophobicContact CD2-CD2 4.12Å; L93-L98 HydrophobicContact CB-CD2 4.07Å; L93-L98 HydrophobicContact CD1-CD2 3.92Å; L98-Y519 HydrophobicContact CD2-CD1 4.14Å; L98-Y519 HydrophobicContact CD2-CE1 3.9Å; L98-L526 HydrophobicContact CD1-CD2 3.95Å; L98-L526 HydrophobicContact CD1-CG 4.12Å; L98-L526 HydrophobicContact CD2-CD2 4.36Å; L98-Q528 HydrophobicContact CD1-CB 3.63Å; L98-Q528 HydrophobicContact CG-CB 4.1Å
99	N	91.7	Very high	92.7	Very high	45 Å²	45	52.9 Å²	52.9	24%	0.241	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-6	-171.7	-64.9	-56.7	0	0	0	113.4	P60 L62 D97	P60-N99 PolarHBondContact O-ND2 3.22Å; L62-N99 WeakPolarHBondContact CB-OD1 3.36Å; L62-N99 PolarHBondContact N-OD1 2.84Å; D97-N99 PolarHBondContact O-N 3.33Å; D97-N99 VanDerWaalsContact O-N 3.14Å; D97-N99 WeakPolarHBondContact OD1-CB 3.42Å; D97-N99 PolarHBondContact OD1-N 2.97Å
100	K	89	Confident	92.7	Very high	131 Å²	131	54.1 Å²	54.1	57%	0.57	28%	0.277	S	S	*	.	S	Bend	trans	-95.2	118.2	-176.8	-170.9	175.7	-177.9	178.3	0	111.8	D97 F102	D97-K100 HydrophobicContact CB-CB 4.03Å; D97-K100 PolarHBondContact O-N 2.81Å; K100-F102 VanDerWaalsContact C-N 3.26Å; K100-F102 PolarHBondContact O-N 2.89Å
101	N	84.1	Confident	92.7	Very high	144 Å²	144	62.9 Å²	62.9	77%	0.77	32%	0.315	S	S	*	.	S	Bend	trans	51.7	37.2	170.6	-62.4	-26.3	0	0	0	114.8
102	F	91.2	Very high	92.8	Very high	70 Å²	70	70 Å²	70	31%	0.307	35%	0.348	S	S	.	.			trans	-64.9	146.6	176.7	67.5	-94.4	0	0	0	111.7	F61 F91 L92 L93 K100	F61-F102 AromaticContact CE2-CD1 3.88Å; F61-F102 HydrophobicContact CE2-CD1 3.88Å; F61-F102 HydrophobicContact CE2-CE1 4.14Å; F61-F102 HydrophobicContact CE2-CG 4.11Å; F61-F102 HydrophobicContact CZ-CD1 4.31Å; F61-F102 HydrophobicContact CZ-CD2 4.28Å; F61-F102 HydrophobicContact CZ-CE1 4.35Å; F61-F102 HydrophobicContact CZ-CE2 4.32Å; F61-F102 HydrophobicContact CZ-CG 4.28Å; F61-F102 HydrophobicContact CZ-CZ 4.36Å; F91-F102 HydrophobicContact CD1-CD2 4.02Å; F91-F102 HydrophobicContact CD1-CE2 4.21Å; F91-F102 HydrophobicContact CE1-CE2 4.24Å; L92-F102 WeakPolarHBondContact O-CA 3.49Å; L93-F102 HydrophobicContact CD2-CB 3.48Å; L93-F102 VanDerWaalsContact CD2-CB 3.48Å; L93-F102 HydrophobicContact CD2-CG 4.22Å; K100-F102 VanDerWaalsContact C-N 3.26Å; K100-F102 PolarHBondContact O-N 2.89Å
103	K	92.3	Very high	92.9	Very high	90 Å²	90	74.3 Å²	74.3	39%	0.391	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	150.9	171.9	-56.3	-172.1	-178.1	-165.2	0	109.7	F91 L92 V167 F169	F91-K103 WeakPolarHBondContact CA-O 3.44Å; L92-K103 HydrophobicContact CB-CB 4.3Å; L92-K103 PolarHBondContact N-O 2.64Å; L92-K103 PolarHBondContact O-N 2.81Å; K103-V167 PolarHBondContact NZ-O 3.29Å; K103-F169 HydrophobicContact CB-CD1 3.54Å; K103-F169 HydrophobicContact CB-CE1 4.02Å; K103-F169 HydrophobicContact CB-CG 4.33Å; K103-F169 HydrophobicContact CD-CB 4.08Å
104	K	93.3	Very high	93	Very high	134 Å²	134	75.5 Å²	75.5	58%	0.583	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.4	141.3	177.8	71.2	179.3	-175.8	176.8	0	112	I90 F91	I90-K104 CarbonylContact O-C 3.55Å; I90-K104 WeakPolarHBondContact O-CA 3.19Å; F91-K104 HydrophobicContact CD1-CB 3.86Å; F91-K104 HydrophobicContact CE1-CB 3.96Å; F91-K104 HydrophobicContact CE1-CD 4.42Å
105	I	95.5	Very high	93.2	Very high	19 Å²	19	78.1 Å²	78.1	10%	0.097	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	128.6	167.1	-69.1	165.2	0	0	0	106.8	H89 I90 W107 I158 F169 L171	H89-I105 VanDerWaalsContact CA-O 3.31Å; H89-I105 WeakPolarHBondContact CA-O 2.76Å; I90-I105 HydrophobicContact CB-CB 4.36Å; I90-I105 PolarHBondContact N-O 2.94Å; I90-I105 PolarHBondContact O-N 2.84Å; I105-W107 HydrophobicContact CG2-CB 4.31Å; I105-I158 HydrophobicContact CD1-CD1 4.27Å; I105-I158 HydrophobicContact CD1-CG1 4.32Å; I105-I158 HydrophobicContact CD1-CG2 3.93Å; I105-F169 HydrophobicContact CB-CE1 4.33Å; I105-F169 HydrophobicContact CD1-CD1 3.89Å; I105-F169 HydrophobicContact CD1-CD2 4.15Å; I105-F169 HydrophobicContact CD1-CE1 3.7Å; I105-F169 HydrophobicContact CD1-CE2 3.94Å; I105-F169 HydrophobicContact CD1-CG 4.13Å; I105-F169 HydrophobicContact CD1-CZ 3.72Å; I105-F169 HydrophobicContact CG1-CD1 3.83Å; I105-F169 HydrophobicContact CG1-CE1 3.57Å; I105-F169 HydrophobicContact CG1-CZ 4.05Å; I105-L171 HydrophobicContact CD1-CB 4.38Å; I105-L171 HydrophobicContact CG2-CB 4.13Å
106	Y	95.4	Very high	93.4	Very high	147 Å²	147	82.8 Å²	82.8	58%	0.576	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	116.8	170.3	-179.9	-123.9	0	0	0	108.8	D88 H89 P108	D88-Y106 HydrophobicContact CB-CD2 4.26Å; D88-Y106 HydrophobicContact CB-CE2 3.82Å; D88-Y106 WeakPolarHBondContact O-CD2 3.33Å; H89-Y106 AromaticContact CD2-CD2 3.8Å; H89-Y106 AromaticContact CE1-CD2 3.48Å; H89-Y106 VanDerWaalsContact CE1-CD2 3.48Å; H89-Y106 WeakPolarHBondContact CE1-CD2 3.43Å; H89-Y106 AromaticContact CE1-CE2 3.68Å; H89-Y106 AromaticContact NE2-CD2 3.28Å; H89-Y106 VanDerWaalsContact NE2-CD2 3.28Å; H89-Y106 WeakPolarHBondContact NE2-CD2 3.49Å; H89-Y106 AromaticContact NE2-CE2 3.89Å; Y106-P108 HydrophobicContact CD1-CG 4.14Å; Y106-P108 HydrophobicContact CE1-CB 4.3Å; Y106-P108 HydrophobicContact CE1-CG 3.53Å; Y106-P108 HydrophobicContact CE2-CB 4.05Å; Y106-P108 HydrophobicContact CE2-CG 4.09Å
107	W	96.1	Very high	93.8	Very high	18 Å²	18	78.1 Å²	78.1	7%	0.068	38%	0.375	C	S	.	.			trans	-136.3	71.9	-176.7	-171.7	30.6	0	0	0	111	D88 I90 I105 N130 I132 V145 I154 L171 L176	D88-W107 CarbonylContact O-C 3.53Å; D88-W107 PolarHBondContact O-N 3.04Å; I90-W107 HydrophobicContact CD1-CE3 4.11Å; I105-W107 HydrophobicContact CG2-CB 4.31Å; W107-N130 WeakPolarHBondContact O-CB 3.16Å; W107-N130 PolarHBondContact O-ND2 3.14Å; W107-I132 HydrophobicContact CE3-CD1 3.49Å; W107-I132 VanDerWaalsContact CE3-CD1 3.49Å; W107-I132 HydrophobicContact CZ3-CD1 3.81Å; W107-V145 HydrophobicContact CH2-CG1 4.2Å; W107-V145 HydrophobicContact CZ3-CB 4.41Å; W107-V145 HydrophobicContact CZ3-CG1 3.76Å; W107-V145 HydrophobicContact CZ3-CG2 3.88Å; W107-I154 HydrophobicContact CH2-CD1 4.36Å; W107-I154 HydrophobicContact CH2-CG1 4.13Å; W107-I154 HydrophobicContact CZ2-CB 4.39Å; W107-I154 HydrophobicContact CZ2-CD1 3.51Å; W107-I154 HydrophobicContact CZ2-CG1 3.73Å; W107-L171 HydrophobicContact CB-CD2 4.17Å; W107-L171 HydrophobicContact CD2-CD2 3.52Å; W107-L171 HydrophobicContact CE3-CD2 4.13Å; W107-L171 HydrophobicContact CG-CD2 3.53Å; W107-L171 HydrophobicContact CZ2-CD2 4.31Å; W107-L176 HydrophobicContact CZ2-CD2 3.85Å
108	P	95.5	Very high	94.2	Very high	46 Å²	46	79.1 Å²	79.1	30%	0.299	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-76.6	163	179.1	35	-39.4	0	0	0	112.5	D88 Y106	D88-P108 HydrophobicContact CB-CB 4.09Å; D88-P108 WeakPolarHBondContact OD1-CA 3.3Å; Y106-P108 HydrophobicContact CD1-CG 4.14Å; Y106-P108 HydrophobicContact CE1-CB 4.3Å; Y106-P108 HydrophobicContact CE1-CG 3.53Å; Y106-P108 HydrophobicContact CE2-CB 4.05Å; Y106-P108 HydrophobicContact CE2-CG 4.09Å
109	A	95.7	Very high	94.4	Very high	11 Å²	11	86 Å²	86	9%	0.091	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-66	149.3	169.1	0	0	0	0	0	111.3	V114 N130 A150	A109-V114 HydrophobicContact CB-CG2 3.85Å; A109-N130 HydrophobicContact CB-CB 4.19Å; A109-A150 HydrophobicContact CB-CB 3.67Å
110	A	94.8	Very high	94.6	Very high	60 Å²	60	86.5 Å²	86.5	50%	0.496	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-60.7	140	175	0	0	0	0	0	110.9	E112 R113 V114	A110-E112 VanDerWaalsContact C-N 3.25Å; A110-E112 PolarHBondContact O-N 2.8Å; A110-R113 HydrophobicContact CB-CG 4.18Å; A110-R113 WeakPolarHBondContact O-CA 3.34Å; A110-R113 WeakPolarHBondContact O-CB 3.44Å; A110-R113 PolarHBondContact O-N 2.84Å; A110-V114 PolarHBondContact O-N 2.84Å
111	K	95.9	Very high	94.8	Very high	185 Å²	185	83.5 Å²	83.5	80%	0.804	43%	0.429	S	S	*	.	H	α-helix	trans	-53.8	-41.8	-176	-67.7	-175.9	178.9	-179.5	0	112.8	R113 V114 E115	K111-R113 VanDerWaalsContact C-N 3.3Å; K111-R113 PolarHBondContact O-N 2.81Å; K111-V114 WeakPolarHBondContact O-CB 3.45Å; K111-V114 PolarHBondContact O-N 2.88Å; K111-E115 WeakPolarHBondContact O-CG 3.49Å; K111-E115 PolarHBondContact O-N 2.84Å
112	E	96.8	Very high	95.3	Very high	154 Å²	154	79 Å²	79	72%	0.72	40%	0.403	S	S	*	.	H	α-helix	trans	-59.6	-39.5	176.6	-64.7	165.6	-165.5	0	0	112.3	A110 E115 L116	A110-E112 VanDerWaalsContact C-N 3.25Å; A110-E112 PolarHBondContact O-N 2.8Å; E112-E115 PolarHBondContact O-N 2.79Å; E112-L116 VanDerWaalsContact O-CG 3.3Å; E112-L116 WeakPolarHBondContact O-CG 3.26Å; E112-L116 PolarHBondContact O-N 2.88Å
113	R	95.8	Very high	95.4	Very high	101 Å²	101	79 Å²	79	38%	0.381	41%	0.406	S	S	.	.	H	α-helix	trans	-69.4	-39.5	177.1	-63.2	-62.7	-177.7	171.5	1.7	111.7	A110 K111 E115 L116 C117 H152	A110-R113 HydrophobicContact CB-CG 4.18Å; A110-R113 WeakPolarHBondContact O-CA 3.34Å; A110-R113 WeakPolarHBondContact O-CB 3.44Å; A110-R113 PolarHBondContact O-N 2.84Å; K111-R113 VanDerWaalsContact C-N 3.3Å; K111-R113 PolarHBondContact O-N 2.81Å; R113-E115 VanDerWaalsContact C-N 3.34Å; R113-L116 PolarHBondContact O-N 2.75Å; R113-C117 WeakPolarHBondContact O-CB 3.48Å; R113-C117 PolarHBondContact O-N 2.89Å; R113-H152 HydrophobicContact CG-CB 4.45Å; R113-H152 PolarHBondContact NH1-CD2 2.95Å; R113-H152 PolarHBondContact NH2-NE2 3.29Å
114	V	96.8	Very high	95.2	Very high	27 Å²	27	76.7 Å²	76.7	16%	0.164	40%	0.404	C	S	.	.	H	α-helix	trans	-60.7	-44.7	174.4	174.3	0	0	0	0	110.8	A109 A110 K111 C117 K118 C128 A150	A109-V114 HydrophobicContact CB-CG2 3.85Å; A110-V114 PolarHBondContact O-N 2.84Å; K111-V114 WeakPolarHBondContact O-CB 3.45Å; K111-V114 PolarHBondContact O-N 2.88Å; V114-C117 WeakPolarHBondContact O-CB 3.41Å; V114-C117 PolarHBondContact O-N 3.48Å; V114-K118 WeakPolarHBondContact O-CG 2.98Å; V114-K118 PolarHBondContact O-N 2.77Å; V114-K118 VanDerWaalsContact O-N 3.07Å; V114-C128 HydrophobicContact CG1-CB 4.39Å; V114-A150 HydrophobicContact CG2-CB 4.09Å
115	E	96.8	Very high	94.7	Very high	98 Å²	98	76.1 Å²	76.1	46%	0.458	41%	0.407	S	S	.	.	H	α-helix	trans	-65.8	-42	176.8	-65.6	-50.4	129.7	0	0	112.4	K111 E112 R113 C117 K118 L119	K111-E115 WeakPolarHBondContact O-CG 3.49Å; K111-E115 PolarHBondContact O-N 2.84Å; E112-E115 PolarHBondContact O-N 2.79Å; R113-E115 VanDerWaalsContact C-N 3.34Å; E115-C117 VanDerWaalsContact C-N 3.32Å; E115-C117 PolarHBondContact O-N 3.15Å; E115-K118 PolarHBondContact O-N 2.85Å; E115-K118 IonicContact OE1-NZ 3.49Å; E115-K118 PolarHBondContact OE1-NZ 2.94Å; E115-K118 IonicContact OE2-NZ 2.74Å; E115-L119 WeakPolarHBondContact O-CG 2.99Å; E115-L119 PolarHBondContact O-N 2.83Å
116	L	96.6	Very high	94.3	Very high	99 Å²	99	78.9 Å²	78.9	52%	0.518	43%	0.425	S	S	.	.	H	α-helix	trans	-61.7	-39.2	174.2	-72.2	171.9	0	0	0	112.5	E112 R113 L119 A120	E112-L116 VanDerWaalsContact O-CG 3.3Å; E112-L116 WeakPolarHBondContact O-CG 3.26Å; E112-L116 PolarHBondContact O-N 2.88Å; R113-L116 PolarHBondContact O-N 2.75Å; L116-L119 PolarHBondContact O-N 2.93Å; L116-A120 WeakPolarHBondContact O-CB 3.41Å; L116-A120 PolarHBondContact O-N 2.82Å
117	C	96.6	Very high	94.1	Very high	4 Å²	4	73.4 Å²	73.4	3%	0.027	41%	0.405	C	S	.	.	H	α-helix	trans	-60.7	-45.8	175.3	174.7	0	0	0	0	111.5	R113 V114 E115 L119 A120 K122 C128 A150	R113-C117 WeakPolarHBondContact O-CB 3.48Å; R113-C117 PolarHBondContact O-N 2.89Å; V114-C117 WeakPolarHBondContact O-CB 3.41Å; V114-C117 PolarHBondContact O-N 3.48Å; E115-C117 VanDerWaalsContact C-N 3.32Å; E115-C117 PolarHBondContact O-N 3.15Å; C117-L119 PolarHBondContact O-N 3.26Å; C117-A120 WeakPolarHBondContact O-CB 3.45Å; C117-A120 PolarHBondContact O-N 2.94Å; C117-A120 VanDerWaalsContact O-N 3.16Å; C117-K122 WeakPolarHBondContact O-CB 3.2Å; C117-K122 PolarHBondContact O-N 2.84Å; C117-K122 VanDerWaalsContact SG-CB 3.57Å; C117-C128 HydrophobicContact CB-CB 3.78Å; C117-C128 WeakPolarHBondContact CB-SG 3.42Å; C117-C128 WeakPolarHBondContact SG-CA 3.37Å; C117-C128 WeakPolarHBondContact SG-CB 3.5Å; C117-C128 CovalentContact SG-SG 2.05Å; C117-C128 PolarHBondContact SG-SG 2.83Å; C117-A150 HydrophobicContact CB-CB 4.17Å
118	K	96.4	Very high	94.1	Very high	78 Å²	78	72.8 Å²	72.8	34%	0.339	40%	0.403	S	S	.	.	H	α-helix	trans	-62	-43.8	175.4	-67	169.6	-174.2	169.1	0	111.9	V114 E115 A120 G121 A124	V114-K118 WeakPolarHBondContact O-CG 2.98Å; V114-K118 PolarHBondContact O-N 2.77Å; V114-K118 VanDerWaalsContact O-N 3.07Å; E115-K118 PolarHBondContact O-N 2.85Å; E115-K118 IonicContact OE1-NZ 3.49Å; E115-K118 PolarHBondContact OE1-NZ 2.94Å; E115-K118 IonicContact OE2-NZ 2.74Å; K118-A120 PolarHBondContact O-N 2.85Å; K118-G121 PolarHBondContact O-N 2.87Å; K118-A124 HydrophobicContact CD-CB 4.25Å; K118-A124 HydrophobicContact CG-CB 4.09Å
119	L	96.4	Very high	94.1	Very high	144 Å²	144	70.9 Å²	70.9	75%	0.754	39%	0.391	S	S	*	.	H	α-helix	trans	-63.4	-27.9	176.6	-71	173	0	0	0	112.5	E115 L116 C117 G121	E115-L119 WeakPolarHBondContact O-CG 2.99Å; E115-L119 PolarHBondContact O-N 2.83Å; L116-L119 PolarHBondContact O-N 2.93Å; C117-L119 PolarHBondContact O-N 3.26Å; L119-G121 PolarHBondContact O-N 2.97Å
120	A	94.6	Very high	94.1	Very high	56 Å²	56	70.3 Å²	70.3	46%	0.463	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	3.6	172.3	0	0	0	0	0	113.7	L116 C117 K118 F208	L116-A120 WeakPolarHBondContact O-CB 3.41Å; L116-A120 PolarHBondContact O-N 2.82Å; C117-A120 WeakPolarHBondContact O-CB 3.45Å; C117-A120 PolarHBondContact O-N 2.94Å; C117-A120 VanDerWaalsContact O-N 3.16Å; K118-A120 PolarHBondContact O-N 2.85Å; A120-F208 HydrophobicContact CB-CE2 4.41Å; A120-F208 HydrophobicContact CB-CZ 3.8Å
121	G	94.8	Very high	94.2	Very high	69 Å²	69	67.6 Å²	67.6	71%	0.711	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.8	14.6	175.2	0	0	0	0	0	114.9	K118 L119	K118-G121 PolarHBondContact O-N 2.87Å; L119-G121 PolarHBondContact O-N 2.97Å
122	K	94.9	Very high	94.3	Very high	50 Å²	50	58.8 Å²	58.8	22%	0.217	33%	0.325	C	S	.	.			trans	-86.5	152.7	177.7	-67.8	-68.2	-169.7	166.2	0	112	C117 A124 E127 F151 D186 F208	C117-K122 WeakPolarHBondContact O-CB 3.2Å; C117-K122 PolarHBondContact O-N 2.84Å; C117-K122 VanDerWaalsContact SG-CB 3.57Å; K122-A124 PolarHBondContact O-N 3.2Å; K122-E127 HydrophobicContact CB-CB 4.25Å; K122-E127 VanDerWaalsContact CD-OE1 3.3Å; K122-E127 WeakPolarHBondContact CD-OE1 3.41Å; K122-E127 WeakPolarHBondContact CD-OE2 3.47Å; K122-E127 IonicContact NZ-OE1 3.46Å; K122-E127 PolarHBondContact NZ-OE1 3.44Å; K122-F151 HydrophobicContact CB-CE2 4.49Å; K122-F151 HydrophobicContact CD-CE1 4.07Å; K122-F151 HydrophobicContact CD-CE2 4.02Å; K122-F151 HydrophobicContact CD-CZ 3.65Å; K122-F151 HydrophobicContact CG-CD2 4.34Å; K122-F151 HydrophobicContact CG-CE1 4.45Å; K122-F151 HydrophobicContact CG-CE2 4.1Å; K122-F151 HydrophobicContact CG-CZ 4.15Å; K122-D186 IonicContact NZ-OD2 3.66Å; K122-D186 PolarHBondContact NZ-OD2 3.46Å; K122-F208 HydrophobicContact CG-CZ 3.94Å
123	D	91.7	Very high	94.3	Very high	68 Å²	68	52.9 Å²	52.9	36%	0.364	30%	0.296	S	S	.	.			trans	-70.8	126.9	-176.9	-178.1	-97.6	0	0	0	112.4	N125 T126 E127 C128	D123-N125 VanDerWaalsContact C-N 3.26Å; D123-N125 PolarHBondContact O-N 3.14Å; D123-N125 WeakPolarHBondContact OD1-CA 3.17Å; D123-N125 PolarHBondContact OD1-N 3.25Å; D123-T126 WeakPolarHBondContact CB-OG1 3.48Å; D123-T126 VanDerWaalsContact CG-OG1 3.23Å; D123-T126 WeakPolarHBondContact OD1-CB 3.44Å; D123-T126 PolarHBondContact OD1-N 3.31Å; D123-T126 PolarHBondContact OD1-OG1 2.92Å; D123-E127 HydrophobicContact CB-CB 4.33Å; D123-E127 HydrophobicContact CB-CG 4.36Å; D123-E127 PolarHBondContact N-OE2 3.06Å; D123-E127 WeakPolarHBondContact O-CB 3.46Å; D123-E127 PolarHBondContact O-N 3.35Å; D123-C128 PolarHBondContact O-N 3.02Å
124	A	87.6	Confident	94.3	Very high	42 Å²	42	48 Å²	48	35%	0.347	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-29.1	-175.1	0	0	0	0	0	113.6	K118 K122	K118-A124 HydrophobicContact CD-CB 4.25Å; K118-A124 HydrophobicContact CG-CB 4.09Å; K122-A124 PolarHBondContact O-N 3.2Å
125	N	83.1	Confident	94.3	Very high	122 Å²	122	47 Å²	47	65%	0.652	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-31.1	-170.8	-65.4	-41.8	0	0	0	112.6	K87 D123	K87-N125 PolarHBondContact NZ-O 3.17Å; D123-N125 VanDerWaalsContact C-N 3.26Å; D123-N125 PolarHBondContact O-N 3.14Å; D123-N125 WeakPolarHBondContact OD1-CA 3.17Å; D123-N125 PolarHBondContact OD1-N 3.25Å
126	T	87.2	Confident	94.3	Very high	77 Å²	77	43.8 Å²	43.8	47%	0.472	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113	-17.7	-170.8	61.3	0	0	0	0	113.7	D123 F131	D123-T126 WeakPolarHBondContact CB-OG1 3.48Å; D123-T126 VanDerWaalsContact CG-OG1 3.23Å; D123-T126 WeakPolarHBondContact OD1-CB 3.44Å; D123-T126 PolarHBondContact OD1-N 3.31Å; D123-T126 PolarHBondContact OD1-OG1 2.92Å; T126-F131 WeakPolarHBondContact O-CZ 3.29Å
127	E	92.4	Very high	94.2	Very high	33 Å²	33	42.3 Å²	42.3	15%	0.154	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.3	-40.3	-173.9	-76.7	-174.1	115.1	0	0	112.7	K122 D123 A129 F151	K122-E127 HydrophobicContact CB-CB 4.25Å; K122-E127 VanDerWaalsContact CD-OE1 3.3Å; K122-E127 WeakPolarHBondContact CD-OE1 3.41Å; K122-E127 WeakPolarHBondContact CD-OE2 3.47Å; K122-E127 IonicContact NZ-OE1 3.46Å; K122-E127 PolarHBondContact NZ-OE1 3.44Å; D123-E127 HydrophobicContact CB-CB 4.33Å; D123-E127 HydrophobicContact CB-CG 4.36Å; D123-E127 PolarHBondContact N-OE2 3.06Å; D123-E127 WeakPolarHBondContact O-CB 3.46Å; D123-E127 PolarHBondContact O-N 3.35Å; E127-A129 VanDerWaalsContact C-N 3.32Å; E127-A129 PolarHBondContact O-N 3.43Å; E127-F151 HydrophobicContact CB-CE2 3.85Å; E127-F151 HydrophobicContact CB-CZ 4.47Å; E127-F151 HydrophobicContact CG-CE2 4.43Å
128	C	95.8	Very high	94	Very high	4 Å²	4	44.4 Å²	44.4	3%	0.027	26%	0.26	C	S	.	.	S	Bend	trans	-87.5	57.1	-174	-61.9	0	0	0	0	114.6	V114 C117 D123	V114-C128 HydrophobicContact CG1-CB 4.39Å; C117-C128 HydrophobicContact CB-CB 3.78Å; C117-C128 WeakPolarHBondContact CB-SG 3.42Å; C117-C128 WeakPolarHBondContact SG-CA 3.37Å; C117-C128 WeakPolarHBondContact SG-CB 3.5Å; C117-C128 CovalentContact SG-SG 2.05Å; C117-C128 PolarHBondContact SG-SG 2.83Å; D123-C128 PolarHBondContact O-N 3.02Å
129	A	95.4	Very high	93.6	Very high	6 Å²	6	43.7 Å²	43.7	5%	0.05	26%	0.261	C	S	.	.	S	Bend	trans	-139.2	177.1	173.2	0	0	0	0	0	111	K87 E127 F131 T148 A150	K87-A129 HydrophobicContact CD-CB 4.12Å; K87-A129 HydrophobicContact CG-CB 3.76Å; E127-A129 VanDerWaalsContact C-N 3.32Å; E127-A129 PolarHBondContact O-N 3.43Å; A129-F131 HydrophobicContact CB-CD2 4.28Å; A129-F131 HydrophobicContact CB-CE2 3.75Å; A129-F131 HydrophobicContact CB-CZ 4.28Å; A129-F131 PolarHBondContact O-N 3.05Å; A129-T148 PolarHBondContact O-OG1 2.83Å; A129-T148 VanDerWaalsContact O-OG1 3.08Å; A129-A150 WeakPolarHBondContact O-CA 3.4Å; A129-A150 PolarHBondContact O-N 2.81Å
130	N	96.6	Very high	93.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.261	C	S	.	.			trans	-91.3	97.6	173.5	-172.6	27.9	0	0	0	110.6	D88 W107 A109 G147 T148 G149	D88-N130 WeakPolarHBondContact CA-O 3.4Å; D88-N130 PolarHBondContact N-O 2.9Å; D88-N130 WeakPolarHBondContact OD1-CB 3.03Å; D88-N130 PolarHBondContact OD1-N 3.07Å; W107-N130 WeakPolarHBondContact O-CB 3.16Å; W107-N130 PolarHBondContact O-ND2 3.14Å; A109-N130 HydrophobicContact CB-CB 4.19Å; N130-G147 WeakPolarHBondContact OD1-CA 3.49Å; N130-T148 PolarHBondContact OD1-N 3.4Å; N130-G149 WeakPolarHBondContact OD1-CA 3.36Å; N130-G149 PolarHBondContact OD1-N 3.12Å
131	F	96.3	Very high	92.9	Very high	3 Å²	3	44.3 Å²	44.3	1%	0.013	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-87.8	121.8	175.6	-65	-98.6	0	0	0	109.3	D69 K87 T126 A129 R133 G147 T148 P187	D69-F131 HydrophobicContact CB-CD1 4.22Å; D69-F131 HydrophobicContact CB-CE1 3.95Å; K87-F131 HydrophobicContact CB-CD1 3.99Å; K87-F131 HydrophobicContact CB-CE1 3.86Å; K87-F131 HydrophobicContact CB-CZ 4.49Å; K87-F131 HydrophobicContact CD-CE1 4Å; K87-F131 HydrophobicContact CD-CZ 3.94Å; K87-F131 HydrophobicContact CG-CD1 4.26Å; K87-F131 HydrophobicContact CG-CE1 3.87Å; K87-F131 HydrophobicContact CG-CE2 4.5Å; K87-F131 HydrophobicContact CG-CZ 3.99Å; T126-F131 WeakPolarHBondContact O-CZ 3.29Å; A129-F131 HydrophobicContact CB-CD2 4.28Å; A129-F131 HydrophobicContact CB-CE2 3.75Å; A129-F131 HydrophobicContact CB-CZ 4.28Å; A129-F131 PolarHBondContact O-N 3.05Å; F131-R133 PolarHBondContact O-N 2.99Å; F131-G147 CarbonylContact O-C 3.57Å; F131-G147 WeakPolarHBondContact O-CA 3.47Å; F131-T148 HydrophobicContact CB-CG2 3.99Å; F131-T148 PolarHBondContact N-OG1 2.73Å; F131-T148 PolarHBondContact O-N 2.79Å; F131-P187 HydrophobicContact CB-CB 3.82Å; F131-P187 HydrophobicContact CD1-CB 3.95Å; F131-P187 HydrophobicContact CD2-CB 3.53Å; F131-P187 HydrophobicContact CD2-CG 3.84Å; F131-P187 HydrophobicContact CE1-CB 4.4Å; F131-P187 HydrophobicContact CE2-CB 4.02Å; F131-P187 HydrophobicContact CE2-CG 3.89Å; F131-P187 HydrophobicContact CG-CB 3.49Å; F131-P187 VanDerWaalsContact CG-CB 3.49Å; F131-P187 HydrophobicContact CG-CG 4.28Å; F131-P187 HydrophobicContact CZ-CB 4.43Å; F131-P187 HydrophobicContact CZ-CG 4.37Å
132	I	97.4	Very high	92.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	116.3	-179.8	-55.7	-62	0	0	0	109.3	T72 A86 I90 W107 L135 V145	T72-I132 PolarHBondContact OG1-O 3.41Å; A86-I132 VanDerWaalsContact O-CG1 3.28Å; A86-I132 WeakPolarHBondContact O-CG1 3.05Å; A86-I132 PolarHBondContact O-N 3.27Å; I90-I132 HydrophobicContact CD1-CD1 4.14Å; I90-I132 HydrophobicContact CD1-CG1 4.33Å; I90-I132 HydrophobicContact CG1-CD1 4.09Å; I90-I132 HydrophobicContact CG1-CG1 3.77Å; I90-I132 HydrophobicContact CG1-CG2 4.29Å; W107-I132 HydrophobicContact CE3-CD1 3.49Å; W107-I132 VanDerWaalsContact CE3-CD1 3.49Å; W107-I132 HydrophobicContact CZ3-CD1 3.81Å; I132-L135 HydrophobicContact CG2-CD1 4.46Å; I132-L135 HydrophobicContact CG2-CD2 4.28Å; I132-L135 HydrophobicContact CG2-CG 4.11Å; I132-V145 HydrophobicContact CD1-CG2 4.46Å; I132-V145 HydrophobicContact CG2-CG2 3.78Å
133	R	96.4	Very high	92.8	Very high	29 Å²	29	41.9 Å²	41.9	11%	0.109	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	-34.9	-174.6	-58	-66.1	-75.2	167.1	-3.1	112	T72 F131 C146 T148 P184 P187 Q189 F191	T72-R133 WeakPolarHBondContact CG2-O 3.48Å; T72-R133 WeakPolarHBondContact OG1-CA 3.48Å; T72-R133 PolarHBondContact OG1-O 3.47Å; F131-R133 PolarHBondContact O-N 2.99Å; R133-C146 PolarHBondContact N-O 2.04Å; R133-T148 HydrophobicContact CG-CG2 3.89Å; R133-P184 HydrophobicContact CB-CG 4.32Å; R133-P184 HydrophobicContact CG-CG 3.98Å; R133-P187 PolarHBondContact NH1-O 3.4Å; R133-P187 PolarHBondContact NH2-O 3.39Å; R133-Q189 PolarHBondContact NH2-O 2.83Å; R133-F191 HydrophobicContact CB-CD1 4.46Å; R133-F191 HydrophobicContact CB-CE1 3.86Å; R133-F191 HydrophobicContact CB-CE2 4.31Å; R133-F191 HydrophobicContact CB-CZ 3.83Å; R133-F191 WeakPolarHBondContact O-CE2 3.2Å; R133-F191 WeakPolarHBondContact O-CZ 3.28Å
134	V	97.3	Very high	93.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	124.1	-178.5	-176.2	0	0	0	0	108.9	Q136 Y144 V145 C146 K182 C183 F191	V134-Q136 HydrophobicContact CG1-CG 3.74Å; V134-Y144 HydrophobicContact CG1-CD1 4.36Å; V134-V145 VanDerWaalsContact O-CA 3.26Å; V134-V145 WeakPolarHBondContact O-CA 3.49Å; V134-V145 WeakPolarHBondContact O-CG2 3.44Å; V134-C146 HydrophobicContact CB-CB 3.72Å; V134-C146 HydrophobicContact CG2-CB 3.84Å; V134-C146 PolarHBondContact N-O 2.92Å; V134-C146 VanDerWaalsContact N-O 3.08Å; V134-C146 PolarHBondContact O-N 3.31Å; V134-K182 WeakPolarHBondContact CG2-O 3.08Å; V134-C183 HydrophobicContact CG2-CB 4.2Å; V134-F191 HydrophobicContact CG2-CE2 3.98Å
135	L	96.9	Very high	93.5	Very high	6 Å²	6	36.7 Å²	36.7	3%	0.031	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	107.9	166.1	-74.1	172	0	0	0	107.4	T72 L74 L83 I90 I132 I143 V145	T72-L135 HydrophobicContact CG2-CB 3.96Å; T72-L135 HydrophobicContact CG2-CD1 3.93Å; T72-L135 HydrophobicContact CG2-CG 4.03Å; L74-L135 HydrophobicContact CB-CB 3.99Å; L74-L135 HydrophobicContact CD2-CB 4.27Å; L83-L135 HydrophobicContact CB-CD1 4.26Å; I90-L135 HydrophobicContact CG2-CD2 4.36Å; I132-L135 HydrophobicContact CG2-CD1 4.46Å; I132-L135 HydrophobicContact CG2-CD2 4.28Å; I132-L135 HydrophobicContact CG2-CG 4.11Å; L135-I143 HydrophobicContact CD2-CG2 4.19Å; L135-V145 HydrophobicContact CD2-CB 4.11Å; L135-V145 HydrophobicContact CD2-CG2 3.66Å
136	Q	96.2	Very high	94.2	Very high	29 Å²	29	30.9 Å²	30.9	14%	0.136	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	137.9	-175.2	-67.8	-68.6	-19.8	0	0	111	V134 Y138 I143 Y144 S193 M195 L200	V134-Q136 HydrophobicContact CG1-CG 3.74Å; Q136-Y138 PolarHBondContact O-N 2.88Å; Q136-Y138 VanDerWaalsContact O-N 3.12Å; Q136-I143 CarbonylContact O-C 3.58Å; Q136-I143 WeakPolarHBondContact O-CA 3.31Å; Q136-I143 WeakPolarHBondContact O-CG2 3.37Å; Q136-Y144 PolarHBondContact N-O 3.37Å; Q136-Y144 PolarHBondContact O-N 3.22Å; Q136-S193 PolarHBondContact NE2-O 2.79Å; Q136-S193 PolarHBondContact NE2-OG 2.95Å; Q136-M195 HydrophobicContact CB-CB 3.84Å; Q136-M195 HydrophobicContact CB-CE 4.17Å; Q136-M195 HydrophobicContact CG-CB 4.37Å; Q136-L200 HydrophobicContact CG-CD1 4.27Å
137	P	94.3	Very high	94.7	Very high	68 Å²	68	27.2 Å²	27.2	44%	0.442	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	114.5	173.2	28.3	-32	0	0	0	109.1	I143 M195	P137-I143 HydrophobicContact CB-CD1 4.36Å; P137-M195 WeakPolarHBondContact O-CG 3.21Å
138	Y	91.9	Very high	95	Very high	48 Å²	48	25.6 Å²	25.6	19%	0.188	13%	0.126	C	C	.	.			trans	-84.4	-50	177.8	-179.5	-108.2	0	0	0	110.3	Q136 H142 Y157 M195 E198	Q136-Y138 PolarHBondContact O-N 2.88Å; Q136-Y138 VanDerWaalsContact O-N 3.12Å; Y138-H142 WeakPolarHBondContact CB-O 3.41Å; Y138-H142 HydrophobicContact CD1-CB 4.29Å; Y138-H142 PolarHBondContact N-O 2.71Å; Y138-Y157 HydrophobicContact CD1-CD1 4.09Å; Y138-Y157 AromaticContact CD1-CE1 3.9Å; Y138-Y157 HydrophobicContact CD1-CE1 3.9Å; Y138-Y157 AromaticContact CD2-CE1 3.91Å; Y138-Y157 HydrophobicContact CD2-CE1 3.91Å; Y138-Y157 HydrophobicContact CE1-CD1 4.48Å; Y138-Y157 AromaticContact CE1-CE1 3.97Å; Y138-Y157 HydrophobicContact CE1-CE1 3.97Å; Y138-Y157 AromaticContact CE2-CE1 3.97Å; Y138-Y157 HydrophobicContact CE2-CE1 3.97Å; Y138-Y157 HydrophobicContact CG-CD1 4.16Å; Y138-Y157 AromaticContact CG-CE1 3.87Å; Y138-Y157 HydrophobicContact CG-CE1 3.87Å; Y138-M195 HydrophobicContact CD2-CE 4.08Å; Y138-M195 HydrophobicContact CD2-SD 4.27Å; Y138-E198 HydrophobicContact CE2-CB 4.09Å
139	N	88.6	Confident	95	Very high	64 Å²	64	25.6 Å²	25.6	34%	0.342	13%	0.126	S	C	.	.	S	Bend	trans	-151	-168.2	173	64.2	30.7	0	0	0	109.3	T141 H142	N139-T141 PolarHBondContact O-N 3.19Å; N139-T141 PolarHBondContact OD1-N 3.21Å; N139-T141 PolarHBondContact OD1-OG1 2.95Å; N139-T141 VanDerWaalsContact OD1-OG1 3.05Å; N139-H142 PolarHBondContact N-O 3.26Å; N139-H142 PolarHBondContact OD1-N 3.47Å
140	K	86.7	Confident	95	Very high	177 Å²	177	25.5 Å²	25.5	77%	0.77	13%	0.125	S	C	*	.	S	Bend	trans	-63.5	-24.3	-179.4	-65.1	-176.3	-179.3	179.2	0	113.4	R79	R79-K140 PolarHBondContact NH1-O 3.1Å; R79-K140 PolarHBondContact NH2-O 2.94Å
141	T	89.5	Confident	95	Very high	35 Å²	35	26 Å²	26	22%	0.215	13%	0.128	C	C	.	.	S	Bend	trans	-110.4	-24.9	-173.9	51.4	0	0	0	0	113.1	N139 L160 V162	N139-T141 PolarHBondContact O-N 3.19Å; N139-T141 PolarHBondContact OD1-N 3.21Å; N139-T141 PolarHBondContact OD1-OG1 2.95Å; N139-T141 VanDerWaalsContact OD1-OG1 3.05Å; T141-L160 WeakPolarHBondContact O-CB 3.33Å; T141-L160 PolarHBondContact O-N 3.35Å; T141-V162 HydrophobicContact CG2-CB 4.5Å; T141-V162 HydrophobicContact CG2-CG2 3.84Å
142	H	92.4	Very high	95	Very high	58 Å²	58	29 Å²	29	27%	0.269	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	142.6	-172.4	-64.4	73.1	0	0	0	112.4	Y138 N139 I158	Y138-H142 WeakPolarHBondContact CB-O 3.41Å; Y138-H142 HydrophobicContact CD1-CB 4.29Å; Y138-H142 PolarHBondContact N-O 2.71Å; N139-H142 PolarHBondContact N-O 3.26Å; N139-H142 PolarHBondContact OD1-N 3.47Å; H142-I158 CarbonylContact C-O 3.56Å; H142-I158 VanDerWaalsContact CA-O 3.26Å; H142-I158 WeakPolarHBondContact CA-O 3.4Å
143	I	95.4	Very high	95	Very high	11 Å²	11	29.2 Å²	29.2	6%	0.056	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	131.4	167.6	-58.1	-56.9	0	0	0	108.2	L74 L83 L135 Q136 P137 Y157 I158 L160	L74-I143 HydrophobicContact CD2-CD1 3.99Å; L74-I143 HydrophobicContact CD2-CG2 4.06Å; L83-I143 HydrophobicContact CD2-CG1 4.06Å; L83-I143 HydrophobicContact CD2-CG2 4.29Å; L135-I143 HydrophobicContact CD2-CG2 4.19Å; Q136-I143 CarbonylContact O-C 3.58Å; Q136-I143 WeakPolarHBondContact O-CA 3.31Å; Q136-I143 WeakPolarHBondContact O-CG2 3.37Å; P137-I143 HydrophobicContact CB-CD1 4.36Å; I143-Y157 CarbonylContact O-C 3.58Å; I143-Y157 WeakPolarHBondContact O-CA 3.44Å; I143-I158 HydrophobicContact CB-CB 4.4Å; I143-I158 PolarHBondContact N-O 3.44Å; I143-I158 PolarHBondContact O-N 2.95Å; I143-L160 HydrophobicContact CD1-CD1 3.91Å; I143-L160 HydrophobicContact CG1-CD1 3.51Å; I143-L160 HydrophobicContact CG1-CG 3.99Å
144	Y	96.9	Very high	95	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	128.9	168.4	-166.4	-110.3	0	0	0	109.4	V134 Q136 C146 C155 Y157 E177 K182 M195 L200 L219	V134-Y144 HydrophobicContact CG1-CD1 4.36Å; Q136-Y144 PolarHBondContact N-O 3.37Å; Q136-Y144 PolarHBondContact O-N 3.22Å; Y144-C146 WeakPolarHBondContact CE1-SG 3.36Å; Y144-C155 HydrophobicContact CE1-CB 4.04Å; Y144-C155 HydrophobicContact CE2-CB 4.22Å; Y144-C155 WeakPolarHBondContact OH-CB 3.24Å; Y144-Y157 AromaticContact CD2-CD1 3.91Å; Y144-Y157 HydrophobicContact CD2-CD1 3.91Å; Y144-Y157 AromaticContact CD2-CE1 3.49Å; Y144-Y157 HydrophobicContact CD2-CE1 3.49Å; Y144-Y157 VanDerWaalsContact CD2-CE1 3.49Å; Y144-Y157 HydrophobicContact CD2-CE2 4.33Å; Y144-Y157 HydrophobicContact CD2-CG 4.5Å; Y144-Y157 AromaticContact CD2-CZ 3.71Å; Y144-Y157 AromaticContact CE2-CE1 3.99Å; Y144-Y157 HydrophobicContact CE2-CE1 3.99Å; Y144-Y157 HydrophobicContact CE2-CE2 4.13Å; Y144-Y157 AromaticContact CE2-CZ 3.68Å; Y144-E177 PolarHBondContact OH-OE2 2.61Å; Y144-K182 HydrophobicContact CE1-CD 4.42Å; Y144-K182 VanDerWaalsContact OH-CD 3.27Å; Y144-K182 WeakPolarHBondContact OH-CD 3.35Å; Y144-K182 PolarHBondContact OH-NZ 2.79Å; Y144-K182 VanDerWaalsContact OH-NZ 3.1Å; Y144-M195 HydrophobicContact CD1-CE 3.93Å; Y144-M195 HydrophobicContact CG-CE 3.82Å; Y144-L200 HydrophobicContact CD1-CD2 4.03Å; Y144-L200 HydrophobicContact CE1-CD2 3.59Å; Y144-L219 HydrophobicContact CD1-CD1 4.26Å; Y144-L219 HydrophobicContact CD2-CD1 4.07Å; Y144-L219 HydrophobicContact CE1-CD1 4Å; Y144-L219 HydrophobicContact CE2-CD1 3.78Å; Y144-L219 HydrophobicContact CE2-CD2 4.32Å; Y144-L219 HydrophobicContact CG-CD1 4.28Å
145	V	97.9	Very high	95	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	140.4	-177.6	64.6	0	0	0	0	111.5	I90 W107 I132 V134 L135 C155 G156 I158 L171	I90-V145 HydrophobicContact CD1-CG2 3.69Å; W107-V145 HydrophobicContact CH2-CG1 4.2Å; W107-V145 HydrophobicContact CZ3-CB 4.41Å; W107-V145 HydrophobicContact CZ3-CG1 3.76Å; W107-V145 HydrophobicContact CZ3-CG2 3.88Å; I132-V145 HydrophobicContact CD1-CG2 4.46Å; I132-V145 HydrophobicContact CG2-CG2 3.78Å; V134-V145 VanDerWaalsContact O-CA 3.26Å; V134-V145 WeakPolarHBondContact O-CA 3.49Å; V134-V145 WeakPolarHBondContact O-CG2 3.44Å; L135-V145 HydrophobicContact CD2-CB 4.11Å; L135-V145 HydrophobicContact CD2-CG2 3.66Å; V145-C155 CarbonylContact O-C 3.44Å; V145-C155 WeakPolarHBondContact O-CA 3.49Å; V145-C155 WeakPolarHBondContact O-CB 3.36Å; V145-G156 WeakPolarHBondContact CG1-O 3.28Å; V145-G156 PolarHBondContact N-O 3.4Å; V145-G156 PolarHBondContact O-N 2.58Å; V145-I158 HydrophobicContact CB-CD1 4.03Å; V145-I158 HydrophobicContact CB-CG1 4.42Å; V145-I158 HydrophobicContact CG1-CD1 3.86Å; V145-I158 HydrophobicContact CG1-CG1 3.8Å; V145-I158 HydrophobicContact CG2-CD1 4.35Å; V145-L171 HydrophobicContact CG1-CD1 3.78Å
146	C	97.8	Very high	95	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	149.8	169.1	-49.4	0	0	0	0	112.3	R133 V134 Y144 I154 C155 C183	R133-C146 PolarHBondContact N-O 2.04Å; V134-C146 HydrophobicContact CB-CB 3.72Å; V134-C146 HydrophobicContact CG2-CB 3.84Å; V134-C146 PolarHBondContact N-O 2.92Å; V134-C146 VanDerWaalsContact N-O 3.08Å; V134-C146 PolarHBondContact O-N 3.31Å; Y144-C146 WeakPolarHBondContact CE1-SG 3.36Å; C146-I154 CarbonylContact C-O 3.39Å; C146-I154 WeakPolarHBondContact CA-O 3.3Å; C146-I154 WeakPolarHBondContact CB-O 3.39Å; C146-C155 HydrophobicContact CB-CB 4.01Å; C146-C155 WeakPolarHBondContact CB-SG 3.47Å; C146-C155 WeakPolarHBondContact SG-CB 3.5Å; C146-C155 CovalentContact SG-SG 2.03Å; C146-C155 PolarHBondContact SG-SG 3.24Å; C146-C183 HydrophobicContact CB-CB 3.59Å
147	G	97.6	Very high	95	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	165.6	169.9	0	0	0	0	0	113.3	N130 F131 G149 P153 I154	N130-G147 WeakPolarHBondContact OD1-CA 3.49Å; F131-G147 CarbonylContact O-C 3.57Å; F131-G147 WeakPolarHBondContact O-CA 3.47Å; G147-G149 PolarHBondContact O-N 2.83Å; G147-P153 VanDerWaalsContact O-CA 3.28Å; G147-P153 WeakPolarHBondContact O-CA 3.41Å; G147-I154 PolarHBondContact N-O 3.47Å; G147-I154 PolarHBondContact O-N 2.88Å
148	T	96.9	Very high	95.1	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.123	C	C	.	.			trans	-65.5	-21.4	-174.7	60.9	0	0	0	0	113.6	A129 N130 F131 R133 A150 F151 H152 F185 P187	A129-T148 PolarHBondContact O-OG1 2.83Å; A129-T148 VanDerWaalsContact O-OG1 3.08Å; N130-T148 PolarHBondContact OD1-N 3.4Å; F131-T148 HydrophobicContact CB-CG2 3.99Å; F131-T148 PolarHBondContact N-OG1 2.73Å; F131-T148 PolarHBondContact O-N 2.79Å; R133-T148 HydrophobicContact CG-CG2 3.89Å; T148-A150 VanDerWaalsContact C-N 3.27Å; T148-A150 PolarHBondContact O-N 2.85Å; T148-F151 PolarHBondContact O-N 2.79Å; T148-F151 VanDerWaalsContact O-N 3.14Å; T148-H152 CarbonylContact O-C 3.16Å; T148-H152 PolarHBondContact O-N 3.49Å; T148-F185 WeakPolarHBondContact CB-O 3.46Å; T148-P187 HydrophobicContact CG2-CB 4.25Å
149	G	96.3	Very high	95.2	Very high	3 Å²	3	25.9 Å²	25.9	3%	0.031	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	36.4	175.9	0	0	0	0	0	114.8	N130 G147 H152	N130-G149 WeakPolarHBondContact OD1-CA 3.36Å; N130-G149 PolarHBondContact OD1-N 3.12Å; G147-G149 PolarHBondContact O-N 2.83Å; G149-H152 WeakPolarHBondContact CA-O 2.99Å; G149-H152 PolarHBondContact O-N 3.14Å
150	A	96.8	Very high	95.3	Very high	4 Å²	4	22.9 Å²	22.9	3%	0.033	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	61.3	-171.1	0	0	0	0	0	112.3	A109 V114 C117 A129 T148 H152	A109-A150 HydrophobicContact CB-CB 3.67Å; V114-A150 HydrophobicContact CG2-CB 4.09Å; C117-A150 HydrophobicContact CB-CB 4.17Å; A129-A150 WeakPolarHBondContact O-CA 3.4Å; A129-A150 PolarHBondContact O-N 2.81Å; T148-A150 VanDerWaalsContact C-N 3.27Å; T148-A150 PolarHBondContact O-N 2.85Å; A150-H152 PolarHBondContact O-N 2.77Å
151	F	96	Very high	95.1	Very high	10 Å²	10	14.7 Å²	14.7	4%	0.044	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	29.7	-174.2	-70.3	-107.1	0	0	0	113.5	K122 E127 T148 F185 D186 F208	K122-F151 HydrophobicContact CB-CE2 4.49Å; K122-F151 HydrophobicContact CD-CE1 4.07Å; K122-F151 HydrophobicContact CD-CE2 4.02Å; K122-F151 HydrophobicContact CD-CZ 3.65Å; K122-F151 HydrophobicContact CG-CD2 4.34Å; K122-F151 HydrophobicContact CG-CE1 4.45Å; K122-F151 HydrophobicContact CG-CE2 4.1Å; K122-F151 HydrophobicContact CG-CZ 4.15Å; E127-F151 HydrophobicContact CB-CE2 3.85Å; E127-F151 HydrophobicContact CB-CZ 4.47Å; E127-F151 HydrophobicContact CG-CE2 4.43Å; T148-F151 PolarHBondContact O-N 2.79Å; T148-F151 VanDerWaalsContact O-N 3.14Å; F151-F185 HydrophobicContact CD1-CB 4.02Å; F151-F185 VanDerWaalsContact O-CD1 3.26Å; F151-F185 WeakPolarHBondContact O-CD1 3.03Å; F151-D186 HydrophobicContact CE1-CB 3.72Å; F151-D186 HydrophobicContact CZ-CB 3.84Å; F151-F208 HydrophobicContact CB-CD2 3.63Å; F151-F208 HydrophobicContact CB-CE2 3.35Å; F151-F208 HydrophobicContact CB-CZ 4.43Å; F151-F208 AromaticContact CD1-CD2 3.64Å; F151-F208 HydrophobicContact CD1-CD2 3.64Å; F151-F208 HydrophobicContact CD1-CE1 4.49Å; F151-F208 AromaticContact CD1-CE2 3.4Å; F151-F208 HydrophobicContact CD1-CE2 3.4Å; F151-F208 HydrophobicContact CD1-CG 4.28Å; F151-F208 AromaticContact CD1-CZ 3.86Å; F151-F208 HydrophobicContact CD1-CZ 3.86Å; F151-F208 HydrophobicContact CE1-CE2 4.39Å; F151-F208 HydrophobicContact CE1-CZ 4.46Å; F151-F208 HydrophobicContact CG-CD2 4.03Å; F151-F208 AromaticContact CG-CE2 3.56Å; F151-F208 HydrophobicContact CG-CE2 3.56Å; F151-F208 HydrophobicContact CG-CZ 4.24Å
152	H	96.4	Very high	94.5	Very high	67 Å²	67	18 Å²	18	31%	0.31	10%	0.095	S	C	.	.	S	Bend	trans	-140	79.6	170.2	-173.8	-89.8	0	0	0	109.1	R113 T148 G149 A150 I154	R113-H152 HydrophobicContact CG-CB 4.45Å; R113-H152 PolarHBondContact NH1-CD2 2.95Å; R113-H152 PolarHBondContact NH2-NE2 3.29Å; T148-H152 CarbonylContact O-C 3.16Å; T148-H152 PolarHBondContact O-N 3.49Å; G149-H152 WeakPolarHBondContact CA-O 2.99Å; G149-H152 PolarHBondContact O-N 3.14Å; A150-H152 PolarHBondContact O-N 2.77Å; H152-I154 PolarHBondContact O-N 3.15Å
153	P	96.7	Very high	93.5	Very high	4 Å²	4	23.1 Å²	23.1	3%	0.026	11%	0.113	C	C	.	.			trans	-57.7	135.5	-169.3	-27.6	36	0	0	0	113.3	G147 G179 C183 P184 F185	G147-P153 VanDerWaalsContact O-CA 3.28Å; G147-P153 WeakPolarHBondContact O-CA 3.41Å; P153-G179 WeakPolarHBondContact O-CA 3.36Å; P153-G179 PolarHBondContact O-N 3.21Å; P153-C183 HydrophobicContact CB-CB 4.12Å; P153-P184 WeakPolarHBondContact CG-O 3.01Å; P153-F185 VanDerWaalsContact CD-CD1 3.42Å; P153-F185 VanDerWaalsContact CD-CE1 3.41Å; P153-F185 HydrophobicContact CG-CB 4.43Å; P153-F185 HydrophobicContact CG-CD1 3.94Å; P153-F185 HydrophobicContact CG-CD2 4.01Å; P153-F185 HydrophobicContact CG-CE1 4.13Å; P153-F185 HydrophobicContact CG-CE2 4.2Å; P153-F185 HydrophobicContact CG-CG 3.86Å; P153-F185 HydrophobicContact CG-CZ 4.24Å
154	I	97.2	Very high	92.3	Very high	34 Å²	34	28.4 Å²	28.4	17%	0.174	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	145.6	-179.2	55	174.5	0	0	0	110.3	W107 C146 G147 H152	W107-I154 HydrophobicContact CH2-CD1 4.36Å; W107-I154 HydrophobicContact CH2-CG1 4.13Å; W107-I154 HydrophobicContact CZ2-CB 4.39Å; W107-I154 HydrophobicContact CZ2-CD1 3.51Å; W107-I154 HydrophobicContact CZ2-CG1 3.73Å; C146-I154 CarbonylContact C-O 3.39Å; C146-I154 WeakPolarHBondContact CA-O 3.3Å; C146-I154 WeakPolarHBondContact CB-O 3.39Å; G147-I154 PolarHBondContact N-O 3.47Å; G147-I154 PolarHBondContact O-N 2.88Å; H152-I154 PolarHBondContact O-N 3.15Å
155	C	97.6	Very high	90.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	160	177.2	-60.2	0	0	0	0	111.5	Y144 V145 C146 L176 E177 G179	Y144-C155 HydrophobicContact CE1-CB 4.04Å; Y144-C155 HydrophobicContact CE2-CB 4.22Å; Y144-C155 WeakPolarHBondContact OH-CB 3.24Å; V145-C155 CarbonylContact O-C 3.44Å; V145-C155 WeakPolarHBondContact O-CA 3.49Å; V145-C155 WeakPolarHBondContact O-CB 3.36Å; C146-C155 HydrophobicContact CB-CB 4.01Å; C146-C155 WeakPolarHBondContact CB-SG 3.47Å; C146-C155 WeakPolarHBondContact SG-CB 3.5Å; C146-C155 CovalentContact SG-SG 2.03Å; C146-C155 PolarHBondContact SG-SG 3.24Å; C155-L176 WeakPolarHBondContact O-CA 3.23Å; C155-E177 HydrophobicContact CB-CB 4.44Å; C155-E177 PolarHBondContact N-O 2.81Å; C155-E177 PolarHBondContact O-N 3.48Å; C155-G179 WeakPolarHBondContact SG-CA 3.42Å
156	G	96.4	Very high	89.7	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.2	-168.9	176.2	0	0	0	0	0	111.8	V145	V145-G156 WeakPolarHBondContact CG1-O 3.28Å; V145-G156 PolarHBondContact N-O 3.4Å; V145-G156 PolarHBondContact O-N 2.58Å
157	Y	96.1	Very high	88.9	Confident	32 Å²	32	43.1 Å²	43.1	13%	0.125	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	137.7	-177.3	-58.2	-96.1	0	0	0	110.7	Y138 I143 Y144 D172 E177	Y138-Y157 HydrophobicContact CD1-CD1 4.09Å; Y138-Y157 AromaticContact CD1-CE1 3.9Å; Y138-Y157 HydrophobicContact CD1-CE1 3.9Å; Y138-Y157 AromaticContact CD2-CE1 3.91Å; Y138-Y157 HydrophobicContact CD2-CE1 3.91Å; Y138-Y157 HydrophobicContact CE1-CD1 4.48Å; Y138-Y157 AromaticContact CE1-CE1 3.97Å; Y138-Y157 HydrophobicContact CE1-CE1 3.97Å; Y138-Y157 AromaticContact CE2-CE1 3.97Å; Y138-Y157 HydrophobicContact CE2-CE1 3.97Å; Y138-Y157 HydrophobicContact CG-CD1 4.16Å; Y138-Y157 AromaticContact CG-CE1 3.87Å; Y138-Y157 HydrophobicContact CG-CE1 3.87Å; I143-Y157 CarbonylContact O-C 3.58Å; I143-Y157 WeakPolarHBondContact O-CA 3.44Å; Y144-Y157 AromaticContact CD2-CD1 3.91Å; Y144-Y157 HydrophobicContact CD2-CD1 3.91Å; Y144-Y157 AromaticContact CD2-CE1 3.49Å; Y144-Y157 HydrophobicContact CD2-CE1 3.49Å; Y144-Y157 VanDerWaalsContact CD2-CE1 3.49Å; Y144-Y157 HydrophobicContact CD2-CE2 4.33Å; Y144-Y157 HydrophobicContact CD2-CG 4.5Å; Y144-Y157 AromaticContact CD2-CZ 3.71Å; Y144-Y157 AromaticContact CE2-CE1 3.99Å; Y144-Y157 HydrophobicContact CE2-CE1 3.99Å; Y144-Y157 HydrophobicContact CE2-CE2 4.13Å; Y144-Y157 AromaticContact CE2-CZ 3.68Å; Y157-D172 PolarHBondContact O-N 3.46Å; Y157-E177 PolarHBondContact OH-OE1 3.12Å
158	I	96.4	Very high	88.4	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	120.9	173.2	-60.7	169.6	0	0	0	108.6	I90 I105 H142 I143 V145 L160 F169 K170 L171	I90-I158 HydrophobicContact CD1-CD1 3.55Å; I90-I158 HydrophobicContact CG2-CD1 4.16Å; I105-I158 HydrophobicContact CD1-CD1 4.27Å; I105-I158 HydrophobicContact CD1-CG1 4.32Å; I105-I158 HydrophobicContact CD1-CG2 3.93Å; H142-I158 CarbonylContact C-O 3.56Å; H142-I158 VanDerWaalsContact CA-O 3.26Å; H142-I158 WeakPolarHBondContact CA-O 3.4Å; I143-I158 HydrophobicContact CB-CB 4.4Å; I143-I158 PolarHBondContact N-O 3.44Å; I143-I158 PolarHBondContact O-N 2.95Å; V145-I158 HydrophobicContact CB-CD1 4.03Å; V145-I158 HydrophobicContact CB-CG1 4.42Å; V145-I158 HydrophobicContact CG1-CD1 3.86Å; V145-I158 HydrophobicContact CG1-CG1 3.8Å; V145-I158 HydrophobicContact CG2-CD1 4.35Å; I158-L160 HydrophobicContact CG2-CD2 4.07Å; I158-F169 HydrophobicContact CG2-CD2 3.87Å; I158-F169 HydrophobicContact CG2-CE2 4.02Å; I158-K170 WeakPolarHBondContact CA-O 3.27Å; I158-L171 HydrophobicContact CG1-CD1 3.87Å
159	D	94.2	Very high	88.3	Confident	45 Å²	45	48.4 Å²	48.4	24%	0.241	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	119.5	173.7	-174.7	4.9	0	0	0	110.3	G161 F169 K170	D159-G161 WeakPolarHBondContact OD1-CA 3.29Å; D159-G161 PolarHBondContact OD1-N 2.01Å; D159-F169 WeakPolarHBondContact O-CA 3.48Å; D159-F169 PolarHBondContact O-N 3.45Å; D159-K170 PolarHBondContact N-O 3.31Å; D159-K170 PolarHBondContact O-N 3.44Å; D159-K170 VanDerWaalsContact O-N 3.1Å
160	L	90.3	Very high	88.2	Confident	1 Å²	1	55 Å²	55	1%	0.005	26%	0.264	C	S	.	.			trans	-95.8	-5.5	175.4	-61.7	-173.7	0	0	0	113.1	T141 I143 I158 V167 F169	T141-L160 WeakPolarHBondContact O-CB 3.33Å; T141-L160 PolarHBondContact O-N 3.35Å; I143-L160 HydrophobicContact CD1-CD1 3.91Å; I143-L160 HydrophobicContact CG1-CD1 3.51Å; I143-L160 HydrophobicContact CG1-CG 3.99Å; I158-L160 HydrophobicContact CG2-CD2 4.07Å; L160-V167 WeakPolarHBondContact O-CG1 3.47Å; L160-F169 HydrophobicContact CD2-CD2 3.66Å; L160-F169 HydrophobicContact CD2-CE2 4.32Å
161	G	83.4	Confident	88.1	Confident	5 Å²	5	55.5 Å²	55.5	5%	0.052	27%	0.266	C	S	.	.			trans	76.7	171.3	-171.8	0	0	0	0	0	113.4	D159	D159-G161 WeakPolarHBondContact OD1-CA 3.29Å; D159-G161 PolarHBondContact OD1-N 2.01Å
162	V	76.5	Confident	88	Confident	103 Å²	103	57.5 Å²	57.5	62%	0.624	28%	0.277	S	S	*	.	S	Bend	trans	-84.6	-36.1	-179.3	-177.2	0	0	0	0	111.8	T141	T141-V162 HydrophobicContact CG2-CB 4.5Å; T141-V162 HydrophobicContact CG2-CG2 3.84Å
163	Y	71.6	Confident	87.8	Confident	166 Å²	166	58.3 Å²	58.3	65%	0.651	29%	0.287	S	S	*	.	S	Bend	trans	-93.5	149.7	-171.6	-60.1	-71.4	0	0	0	112.7
164	K	68.5	Low	87.4	Confident	123 Å²	123	66.2 Å²	66.2	54%	0.535	32%	0.324	S	S	.	.	S	Bend	trans	-74.4	-29.5	178.8	-72.8	-168.4	-176.8	-169.7	0	112.4	E78 R81	E78-K164 PolarHBondContact O-NZ 2.68Å; R81-K164 PolarHBondContact NH2-O 2.9Å
165	E	69.1	Low	87	Confident	161 Å²	161	69.4 Å²	69.4	75%	0.752	34%	0.341	S	S	*	.	S	Bend	trans	-82.3	-40.1	-179.6	-60	90.4	-175.8	0	0	113.5
166	D	72.8	Confident	86.9	Confident	128 Å²	128	72.9 Å²	72.9	68%	0.684	36%	0.359	S	S	*	.			trans	-105.2	86.8	-174.9	-78	-28.4	0	0	0	112.9
167	V	81.3	Confident	86.8	Confident	20 Å²	20	75.8 Å²	75.8	12%	0.121	37%	0.373	C	S	.	.			trans	-83	120.4	179.7	-162.9	0	0	0	0	111.4	L92 K103 L160 F169	L92-V167 HydrophobicContact CD2-CB 4.44Å; L92-V167 HydrophobicContact CD2-CG1 3.67Å; K103-V167 PolarHBondContact NZ-O 3.29Å; L160-V167 WeakPolarHBondContact O-CG1 3.47Å; V167-F169 HydrophobicContact CG1-CB 4.01Å
168	I	86.9	Confident	86.7	Confident	96 Å²	96	77.9 Å²	77.9	49%	0.492	39%	0.392	S	S	.	.			trans	-71	-49.9	175.9	-60.7	174.3	0	0	0	110.5	K170	I168-K170 HydrophobicContact CG2-CB 3.81Å
169	F	93.3	Very high	86.6	Confident	14 Å²	14	77.9 Å²	77.9	6%	0.061	39%	0.392	C	S	.	.			trans	48.6	64.6	-179.1	-165.4	-118.1	0	0	0	112.8	L83 I90 L92 K103 I105 I158 D159 L160 V167	L83-F169 HydrophobicContact CD2-CE2 4.31Å; I90-F169 HydrophobicContact CB-CZ 4.47Å; I90-F169 HydrophobicContact CG2-CZ 4.05Å; L92-F169 HydrophobicContact CB-CD1 4.16Å; L92-F169 HydrophobicContact CB-CD2 3.93Å; L92-F169 HydrophobicContact CB-CE1 3.9Å; L92-F169 HydrophobicContact CB-CE2 3.7Å; L92-F169 HydrophobicContact CB-CG 4.17Å; L92-F169 HydrophobicContact CB-CZ 3.68Å; L92-F169 HydrophobicContact CD2-CB 4.28Å; L92-F169 HydrophobicContact CD2-CD2 3.97Å; L92-F169 HydrophobicContact CD2-CG 4.09Å; L92-F169 HydrophobicContact CG-CD2 4.41Å; L92-F169 HydrophobicContact CG-CE2 4.48Å; K103-F169 HydrophobicContact CB-CD1 3.54Å; K103-F169 HydrophobicContact CB-CE1 4.02Å; K103-F169 HydrophobicContact CB-CG 4.33Å; K103-F169 HydrophobicContact CD-CB 4.08Å; I105-F169 HydrophobicContact CB-CE1 4.33Å; I105-F169 HydrophobicContact CD1-CD1 3.89Å; I105-F169 HydrophobicContact CD1-CD2 4.15Å; I105-F169 HydrophobicContact CD1-CE1 3.7Å; I105-F169 HydrophobicContact CD1-CE2 3.94Å; I105-F169 HydrophobicContact CD1-CG 4.13Å; I105-F169 HydrophobicContact CD1-CZ 3.72Å; I105-F169 HydrophobicContact CG1-CD1 3.83Å; I105-F169 HydrophobicContact CG1-CE1 3.57Å; I105-F169 HydrophobicContact CG1-CZ 4.05Å; I158-F169 HydrophobicContact CG2-CD2 3.87Å; I158-F169 HydrophobicContact CG2-CE2 4.02Å; D159-F169 WeakPolarHBondContact O-CA 3.48Å; D159-F169 PolarHBondContact O-N 3.45Å; L160-F169 HydrophobicContact CD2-CD2 3.66Å; L160-F169 HydrophobicContact CD2-CE2 4.32Å; V167-F169 HydrophobicContact CG1-CB 4.01Å
170	K	94.9	Very high	86.6	Confident	142 Å²	142	82.2 Å²	82.2	62%	0.617	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.7	131.5	-176.8	-174.8	-179.3	177.6	-172.6	0	111	I158 D159 I168	I158-K170 WeakPolarHBondContact CA-O 3.27Å; D159-K170 PolarHBondContact N-O 3.31Å; D159-K170 PolarHBondContact O-N 3.44Å; D159-K170 VanDerWaalsContact O-N 3.1Å; I168-K170 HydrophobicContact CG2-CB 3.81Å
171	L	95.6	Very high	86.8	Confident	15 Å²	15	83 Å²	83	8%	0.079	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	131.6	171.6	-178.9	71.1	0	0	0	110.2	I105 W107 V145 I158 T173	I105-L171 HydrophobicContact CD1-CB 4.38Å; I105-L171 HydrophobicContact CG2-CB 4.13Å; W107-L171 HydrophobicContact CB-CD2 4.17Å; W107-L171 HydrophobicContact CD2-CD2 3.52Å; W107-L171 HydrophobicContact CE3-CD2 4.13Å; W107-L171 HydrophobicContact CG-CD2 3.53Å; W107-L171 HydrophobicContact CZ2-CD2 4.31Å; V145-L171 HydrophobicContact CG1-CD1 3.78Å; I158-L171 HydrophobicContact CG1-CD1 3.87Å; L171-T173 HydrophobicContact CD2-CG2 4.25Å; L171-T173 HydrophobicContact CG-CG2 4.44Å; L171-T173 PolarHBondContact O-N 2.87Å
172	D	93.6	Very high	87.4	Confident	51 Å²	51	84 Å²	84	27%	0.273	41%	0.412	S	S	.	.			trans	-79	99.2	169.1	-174.6	-3	0	0	0	110.3	Y157 H174 N175	Y157-D172 PolarHBondContact O-N 3.46Å; D172-H174 VanDerWaalsContact C-N 3.32Å; D172-H174 PolarHBondContact OD1-N 3.17Å; D172-N175 PolarHBondContact OD1-N 2.85Å; D172-N175 WeakPolarHBondContact OD2-CB 3.22Å; D172-N175 PolarHBondContact OD2-ND2 3.16Å
173	T	90.8	Very high	88.3	Confident	84 Å²	84	79.1 Å²	79.1	52%	0.515	38%	0.382	S	S	.	.	S	Bend	trans	-80.5	-10.4	179.4	55.1	0	0	0	0	113.7	L171	L171-T173 HydrophobicContact CD2-CG2 4.25Å; L171-T173 HydrophobicContact CG-CG2 4.44Å; L171-T173 PolarHBondContact O-N 2.87Å
174	H	88.1	Confident	89.4	Confident	171 Å²	171	71.2 Å²	71.2	79%	0.792	35%	0.351	S	S	*	.	S	Bend	trans	-87.1	-27.1	-178.3	-65.5	-70.9	0	0	0	112.2	D172	D172-H174 VanDerWaalsContact C-N 3.32Å; D172-H174 PolarHBondContact OD1-N 3.17Å
175	N	89.8	Confident	90.7	Very high	100 Å²	100	66 Å²	66	54%	0.535	33%	0.329	S	S	.	.	S	Bend	trans	-109.5	48.9	-179.4	-64.9	-43.7	0	0	0	112.2	D172	D172-N175 PolarHBondContact OD1-N 2.85Å; D172-N175 WeakPolarHBondContact OD2-CB 3.22Å; D172-N175 PolarHBondContact OD2-ND2 3.16Å
176	L	94.7	Very high	91.9	Very high	74 Å²	74	60 Å²	60	39%	0.387	30%	0.302	S	S	.	.			trans	-78.8	136.6	174.9	-63.6	-179.8	0	0	0	111.3	W107 C155	W107-L176 HydrophobicContact CZ2-CD2 3.85Å; C155-L176 WeakPolarHBondContact O-CA 3.23Å
177	E	94.6	Very high	92.9	Very high	61 Å²	61	53.9 Å²	53.9	29%	0.285	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	159.3	-178.2	-63.7	174.8	-171.6	0	0	111.4	Y144 C155 Y157 G179 K182	Y144-E177 PolarHBondContact OH-OE2 2.61Å; C155-E177 HydrophobicContact CB-CB 4.44Å; C155-E177 PolarHBondContact N-O 2.81Å; C155-E177 PolarHBondContact O-N 3.48Å; Y157-E177 PolarHBondContact OH-OE1 3.12Å; E177-G179 PolarHBondContact O-N 3.38Å; E177-K182 IonicContact OE2-NZ 2.79Å; E177-K182 PolarHBondContact OE2-NZ 3.45Å
178	S	94.9	Very high	93.4	Very high	76 Å²	76	58.2 Å²	58.2	53%	0.531	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	130.1	167.2	-174	0	0	0	0	110.3	R180	S178-R180 PolarHBondContact OG-N 3.01Å
179	G	94.6	Very high	93.6	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.272	C	S	.	.			trans	-90.1	4.4	174.4	0	0	0	0	0	114.2	P153 C155 E177 L181 K182 C183	P153-G179 WeakPolarHBondContact O-CA 3.36Å; P153-G179 PolarHBondContact O-N 3.21Å; C155-G179 WeakPolarHBondContact SG-CA 3.42Å; E177-G179 PolarHBondContact O-N 3.38Å; G179-L181 PolarHBondContact O-N 2.86Å; G179-K182 WeakPolarHBondContact O-CB 3.15Å; G179-K182 PolarHBondContact O-N 3.28Å; G179-C183 PolarHBondContact O-N 3.26Å
180	R	94.4	Very high	93.5	Very high	135 Å²	135	56.4 Å²	56.4	51%	0.509	28%	0.281	S	S	.	.	B	Isolated β-bridge	trans	-56	129.4	178.2	-175.1	176.3	-177.4	128.5	3.6	109.4	S178 K182 F185 S206	S178-R180 PolarHBondContact OG-N 3.01Å; R180-K182 PolarHBondContact O-N 2.96Å; R180-K182 VanDerWaalsContact O-N 3.14Å; R180-F185 HydrophobicContact CG-CE2 4.29Å; R180-F185 HydrophobicContact CG-CZ 4.13Å; R180-S206 PolarHBondContact NE-O 3.45Å; R180-S206 VanDerWaalsContact NE-O 3.08Å; R180-S206 PolarHBondContact NH2-O 2.92Å
181	L	93.1	Very high	93.5	Very high	18 Å²	18	51.3 Å²	51.3	9%	0.094	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	-3.1	-175.7	-63.3	147.3	0	0	0	115.7	G179 S202 T204 A214 T216 Y227 R229	G179-L181 PolarHBondContact O-N 2.86Å; L181-S202 WeakPolarHBondContact O-CB 3.43Å; L181-S202 PolarHBondContact O-OG 2.04Å; L181-T204 VanDerWaalsContact C-CG2 3.47Å; L181-T204 WeakPolarHBondContact O-CG2 3.27Å; L181-A214 HydrophobicContact CD2-CB 3.92Å; L181-T216 HydrophobicContact CB-CG2 4.26Å; L181-T216 HydrophobicContact CD2-CG2 4.1Å; L181-T216 PolarHBondContact O-OG1 2.86Å; L181-Y227 WeakPolarHBondContact CD1-OH 3.41Å; L181-R229 VanDerWaalsContact CD2-NH1 3.29Å
182	K	95.4	Very high	93.5	Very high	26 Å²	26	50.9 Å²	50.9	11%	0.113	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-33.2	171.9	-57	179.9	-177.5	169.9	0	111.4	V134 Y144 E177 G179 R180 L200	V134-K182 WeakPolarHBondContact CG2-O 3.08Å; Y144-K182 HydrophobicContact CE1-CD 4.42Å; Y144-K182 VanDerWaalsContact OH-CD 3.27Å; Y144-K182 WeakPolarHBondContact OH-CD 3.35Å; Y144-K182 PolarHBondContact OH-NZ 2.79Å; Y144-K182 VanDerWaalsContact OH-NZ 3.1Å; E177-K182 IonicContact OE2-NZ 2.79Å; E177-K182 PolarHBondContact OE2-NZ 3.45Å; G179-K182 WeakPolarHBondContact O-CB 3.15Å; G179-K182 PolarHBondContact O-N 3.28Å; R180-K182 PolarHBondContact O-N 2.96Å; R180-K182 VanDerWaalsContact O-N 3.14Å; K182-L200 HydrophobicContact CB-CD2 3.89Å; K182-L200 HydrophobicContact CD-CD2 4.28Å; K182-L200 HydrophobicContact CG-CD2 4.08Å
183	C	95.8	Very high	93.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-136.1	144.3	-178	176.5	0	0	0	0	109.4	V134 C146 P153 G179	V134-C183 HydrophobicContact CG2-CB 4.2Å; C146-C183 HydrophobicContact CB-CB 3.59Å; P153-C183 HydrophobicContact CB-CB 4.12Å; G179-C183 PolarHBondContact O-N 3.26Å
184	P	95.9	Very high	94	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.232	C	C	.	.			trans	-65.2	156.8	174.9	28.5	-36	0	0	0	112.3	R133 P153 Q189 F191 T204	R133-P184 HydrophobicContact CB-CG 4.32Å; R133-P184 HydrophobicContact CG-CG 3.98Å; P153-P184 WeakPolarHBondContact CG-O 3.01Å; P184-Q189 HydrophobicContact CB-CB 4.16Å; P184-Q189 HydrophobicContact CB-CG 4.45Å; P184-F191 HydrophobicContact CB-CB 4.49Å; P184-F191 HydrophobicContact CG-CB 4.1Å; P184-F191 HydrophobicContact CG-CD1 3.91Å; P184-F191 HydrophobicContact CG-CG 3.95Å; P184-T204 VanDerWaalsContact CA-OG1 3.28Å; P184-T204 WeakPolarHBondContact CA-OG1 3.37Å; P184-T204 WeakPolarHBondContact CB-OG1 3.34Å
185	F	95.5	Very high	94.4	Very high	15 Å²	15	39.1 Å²	39.1	7%	0.066	20%	0.199	C	C	.	.	S	Bend	trans	-78.6	-46.9	171.9	-73.6	-102.6	0	0	0	111.2	T148 F151 P153 R180 D207 F208	T148-F185 WeakPolarHBondContact CB-O 3.46Å; F151-F185 HydrophobicContact CD1-CB 4.02Å; F151-F185 VanDerWaalsContact O-CD1 3.26Å; F151-F185 WeakPolarHBondContact O-CD1 3.03Å; P153-F185 VanDerWaalsContact CD-CD1 3.42Å; P153-F185 VanDerWaalsContact CD-CE1 3.41Å; P153-F185 HydrophobicContact CG-CB 4.43Å; P153-F185 HydrophobicContact CG-CD1 3.94Å; P153-F185 HydrophobicContact CG-CD2 4.01Å; P153-F185 HydrophobicContact CG-CE1 4.13Å; P153-F185 HydrophobicContact CG-CE2 4.2Å; P153-F185 HydrophobicContact CG-CG 3.86Å; P153-F185 HydrophobicContact CG-CZ 4.24Å; R180-F185 HydrophobicContact CG-CE2 4.29Å; R180-F185 HydrophobicContact CG-CZ 4.13Å; F185-D207 WeakPolarHBondContact CD2-O 3.4Å; F185-F208 HydrophobicContact CD1-CB 4.43Å
186	D	94.3	Very high	94.6	Very high	33 Å²	33	35.3 Å²	35.3	18%	0.176	18%	0.18	C	C	.	.	S	Bend	trans	-87.8	128.6	179.5	-171.6	-43.7	0	0	0	110.1	K122 F151 Q188 Q189	K122-D186 IonicContact NZ-OD2 3.66Å; K122-D186 PolarHBondContact NZ-OD2 3.46Å; F151-D186 HydrophobicContact CE1-CB 3.72Å; F151-D186 HydrophobicContact CZ-CB 3.84Å; D186-Q188 PolarHBondContact O-N 2.9Å; D186-Q188 WeakPolarHBondContact OD1-CB 3.23Å; D186-Q188 PolarHBondContact OD1-N 2.85Å; D186-Q189 HydrophobicContact CB-CB 4.01Å; D186-Q189 WeakPolarHBondContact O-CB 3.49Å; D186-Q189 PolarHBondContact O-N 3.09Å
187	P	93.1	Very high	94.4	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.006	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-24.2	-179.7	27.2	-35.5	0	0	0	114.1	F131 R133 T148	F131-P187 HydrophobicContact CB-CB 3.82Å; F131-P187 HydrophobicContact CD1-CB 3.95Å; F131-P187 HydrophobicContact CD2-CB 3.53Å; F131-P187 HydrophobicContact CD2-CG 3.84Å; F131-P187 HydrophobicContact CE1-CB 4.4Å; F131-P187 HydrophobicContact CE2-CB 4.02Å; F131-P187 HydrophobicContact CE2-CG 3.89Å; F131-P187 HydrophobicContact CG-CB 3.49Å; F131-P187 VanDerWaalsContact CG-CB 3.49Å; F131-P187 HydrophobicContact CG-CG 4.28Å; F131-P187 HydrophobicContact CZ-CB 4.43Å; F131-P187 HydrophobicContact CZ-CG 4.37Å; R133-P187 PolarHBondContact NH1-O 3.4Å; R133-P187 PolarHBondContact NH2-O 3.39Å; T148-P187 HydrophobicContact CG2-CB 4.25Å
188	Q	91.3	Very high	94.2	Very high	111 Å²	111	37 Å²	37	52%	0.519	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-7.9	179.3	-57.1	-169.8	10.9	0	0	112.6	D186 P190	D186-Q188 PolarHBondContact O-N 2.9Å; D186-Q188 WeakPolarHBondContact OD1-CB 3.23Å; D186-Q188 PolarHBondContact OD1-N 2.85Å; Q188-P190 WeakPolarHBondContact O-CD 3.43Å
189	Q	91.3	Very high	94.3	Very high	31 Å²	31	34.4 Å²	34.4	15%	0.145	17%	0.168	C	C	.	.	S	Bend	trans	-72.4	128.4	-178.9	-177	160.8	27.5	0	0	111.3	R133 P184 D186	R133-Q189 PolarHBondContact NH2-O 2.83Å; P184-Q189 HydrophobicContact CB-CB 4.16Å; P184-Q189 HydrophobicContact CB-CG 4.45Å; D186-Q189 HydrophobicContact CB-CB 4.01Å; D186-Q189 WeakPolarHBondContact O-CB 3.49Å; D186-Q189 PolarHBondContact O-N 3.09Å
190	P	91.9	Very high	94.4	Very high	41 Å²	41	34.4 Å²	34.4	27%	0.266	17%	0.168	S	C	.	.			trans	-61.8	137.9	170.7	-21.8	33.5	0	0	0	110.8	Q188 K242 F243	Q188-P190 WeakPolarHBondContact O-CD 3.43Å; P190-K242 HydrophobicContact CB-CB 4.25Å; P190-K242 HydrophobicContact CG-CB 4.26Å; P190-K242 HydrophobicContact CG-CD 4.44Å; P190-F243 CarbonylContact C-O 3.41Å; P190-F243 WeakPolarHBondContact CB-O 3.45Å
191	F	94.5	Very high	94.5	Very high	34 Å²	34	28 Å²	28	15%	0.149	14%	0.143	C	C	.	.			trans	-148.1	161.5	176.6	79.6	-70.4	0	0	0	107.7	R133 V134 P184 G203 F243	R133-F191 HydrophobicContact CB-CD1 4.46Å; R133-F191 HydrophobicContact CB-CE1 3.86Å; R133-F191 HydrophobicContact CB-CE2 4.31Å; R133-F191 HydrophobicContact CB-CZ 3.83Å; R133-F191 WeakPolarHBondContact O-CE2 3.2Å; R133-F191 WeakPolarHBondContact O-CZ 3.28Å; V134-F191 HydrophobicContact CG2-CE2 3.98Å; P184-F191 HydrophobicContact CB-CB 4.49Å; P184-F191 HydrophobicContact CG-CB 4.1Å; P184-F191 HydrophobicContact CG-CD1 3.91Å; P184-F191 HydrophobicContact CG-CG 3.95Å; F191-G203 WeakPolarHBondContact CA-O 3.39Å; F191-F243 PolarHBondContact N-O 2.83Å
192	A	97	Very high	94.8	Very high	6 Å²	6	27.1 Å²	27.1	5%	0.05	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	143	172.5	0	0	0	0	0	109.2	S202 G203 F243 T246	A192-S202 CarbonylContact O-C 3.59Å; A192-S202 WeakPolarHBondContact O-CA 3.15Å; A192-G203 PolarHBondContact N-O 3.36Å; A192-G203 PolarHBondContact O-N 3.45Å; A192-F243 HydrophobicContact CB-CB 3.86Å; A192-T246 HydrophobicContact CB-CG2 3.87Å
193	S	97.3	Very high	94.9	Very high	19 Å²	19	25.9 Å²	25.9	13%	0.133	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	149.4	174.7	67.3	0	0	0	0	111.9	Q136 Y201 T246	Q136-S193 PolarHBondContact NE2-O 2.79Å; Q136-S193 PolarHBondContact NE2-OG 2.95Å; S193-Y201 CarbonylContact C-O 3.59Å; S193-Y201 WeakPolarHBondContact CA-O 3.4Å; S193-T246 VanDerWaalsContact CA-CG2 3.45Å; S193-T246 WeakPolarHBondContact O-CG2 3.32Å
194	V	97.2	Very high	94.9	Very high	20 Å²	20	26 Å²	26	12%	0.121	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	141.7	170.4	65.2	0	0	0	0	110.1	Y201 T246 P248	V194-Y201 PolarHBondContact N-O 3.26Å; V194-Y201 PolarHBondContact O-N 3.4Å; V194-T246 HydrophobicContact CB-CG2 3.84Å; V194-T246 HydrophobicContact CG1-CG2 3.7Å; V194-P248 HydrophobicContact CG2-CG 4.48Å
195	M	95.9	Very high	94.7	Very high	20 Å²	20	26 Å²	26	10%	0.099	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	129.4	173.3	-168.9	75.6	68.5	0	0	110.3	Q136 P137 Y138 Y144 Y199 L200 L219	Q136-M195 HydrophobicContact CB-CB 3.84Å; Q136-M195 HydrophobicContact CB-CE 4.17Å; Q136-M195 HydrophobicContact CG-CB 4.37Å; P137-M195 WeakPolarHBondContact O-CG 3.21Å; Y138-M195 HydrophobicContact CD2-CE 4.08Å; Y138-M195 HydrophobicContact CD2-SD 4.27Å; Y144-M195 HydrophobicContact CD1-CE 3.93Å; Y144-M195 HydrophobicContact CG-CE 3.82Å; M195-Y199 WeakPolarHBondContact CA-O 3.49Å; M195-Y199 VanDerWaalsContact SD-O 3.33Å; M195-L200 HydrophobicContact CE-CB 4.02Å; M195-L200 HydrophobicContact CE-CD1 4.1Å; M195-L200 HydrophobicContact SD-CB 4.08Å; M195-L219 HydrophobicContact CE-CD1 3.86Å; M195-L219 HydrophobicContact SD-CD1 4.32Å
196	T	93.9	Very high	94.4	Very high	20 Å²	20	25.6 Å²	25.6	12%	0.123	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	135.7	169.4	178.1	0	0	0	0	109.1	E198 Y199 Y201 I260 K287	T196-E198 PolarHBondContact O-N 3.28Å; T196-Y199 PolarHBondContact N-O 2.92Å; T196-Y199 WeakPolarHBondContact O-CB 3.25Å; T196-Y199 PolarHBondContact O-N 2.95Å; T196-Y201 HydrophobicContact CG2-CD2 3.88Å; T196-Y201 HydrophobicContact CG2-CE2 3.48Å; T196-Y201 VanDerWaalsContact CG2-CE2 3.48Å; T196-I260 HydrophobicContact CG2-CD1 3.95Å; T196-K287 WeakPolarHBondContact OG1-CE 3.26Å; T196-K287 PolarHBondContact OG1-NZ 3.28Å
197	D	90.3	Very high	94	Very high	100 Å²	100	25.4 Å²	25.4	54%	0.535	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	40.7	179.1	-53.6	12.6	0	0	0	112.6	Y199 K287	D197-Y199 HydrophobicContact CB-CD2 4.12Å; D197-Y199 WeakPolarHBondContact O-CD2 3.25Å; D197-Y199 PolarHBondContact O-N 2.88Å; D197-K287 VanDerWaalsContact CG-CE 3.43Å; D197-K287 IonicContact OD1-NZ 2.95Å; D197-K287 PolarHBondContact OD1-NZ 2.86Å; D197-K287 WeakPolarHBondContact OD2-CE 3.45Å; D197-K287 IonicContact OD2-NZ 3.9Å; D197-K287 PolarHBondContact OD2-NZ 2.82Å
198	E	91.7	Very high	93.8	Very high	71 Å²	71	28.9 Å²	28.9	33%	0.332	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	65	2.2	-175.9	-50.2	-178	154	0	0	115	Y138 T196 L219 G220	Y138-E198 HydrophobicContact CE2-CB 4.09Å; T196-E198 PolarHBondContact O-N 3.28Å; E198-L219 WeakPolarHBondContact O-CB 3.34Å; E198-G220 PolarHBondContact O-N 3.36Å
199	Y	95.1	Very high	93.6	Very high	22 Å²	22	30.2 Å²	30.2	9%	0.086	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	132.6	172.2	-64.3	-79.6	0	0	0	111.6	M195 T196 D197 R217 L219 G220 P221 D224	M195-Y199 WeakPolarHBondContact CA-O 3.49Å; M195-Y199 VanDerWaalsContact SD-O 3.33Å; T196-Y199 PolarHBondContact N-O 2.92Å; T196-Y199 WeakPolarHBondContact O-CB 3.25Å; T196-Y199 PolarHBondContact O-N 2.95Å; D197-Y199 HydrophobicContact CB-CD2 4.12Å; D197-Y199 WeakPolarHBondContact O-CD2 3.25Å; D197-Y199 PolarHBondContact O-N 2.88Å; Y199-R217 HydrophobicContact CD1-CG 3.94Å; Y199-R217 HydrophobicContact CG-CG 4.23Å; Y199-L219 VanDerWaalsContact CD1-O 3.26Å; Y199-L219 WeakPolarHBondContact CD1-O 3.45Å; Y199-L219 WeakPolarHBondContact CE1-O 3.5Å; Y199-G220 VanDerWaalsContact CD1-CA 3.48Å; Y199-P221 WeakPolarHBondContact OH-CD 3.36Å; Y199-D224 WeakPolarHBondContact CE1-O 3.45Å; Y199-D224 WeakPolarHBondContact OH-CB 3.39Å; Y199-D224 PolarHBondContact OH-O 2.85Å; Y199-D224 PolarHBondContact OH-OD2 3.46Å
200	L	96.8	Very high	93.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	116.2	170.4	-179.4	66.7	0	0	0	109.9	Q136 Y144 K182 M195 R217 S218 L219	Q136-L200 HydrophobicContact CG-CD1 4.27Å; Y144-L200 HydrophobicContact CD1-CD2 4.03Å; Y144-L200 HydrophobicContact CE1-CD2 3.59Å; K182-L200 HydrophobicContact CB-CD2 3.89Å; K182-L200 HydrophobicContact CD-CD2 4.28Å; K182-L200 HydrophobicContact CG-CD2 4.08Å; M195-L200 HydrophobicContact CE-CB 4.02Å; M195-L200 HydrophobicContact CE-CD1 4.1Å; M195-L200 HydrophobicContact SD-CB 4.08Å; L200-R217 WeakPolarHBondContact O-CA 3.4Å; L200-S218 PolarHBondContact N-O 3.06Å; L200-S218 PolarHBondContact O-N 3.03Å; L200-L219 HydrophobicContact CB-CD1 3.81Å; L200-L219 HydrophobicContact CB-CG 4.16Å
201	Y	98.1	Very high	92.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	128.4	166.8	-63.9	-98.6	0	0	0	108.7	S193 V194 T196 F215 T216 R217 I260 K287 W300	S193-Y201 CarbonylContact C-O 3.59Å; S193-Y201 WeakPolarHBondContact CA-O 3.4Å; V194-Y201 PolarHBondContact N-O 3.26Å; V194-Y201 PolarHBondContact O-N 3.4Å; T196-Y201 HydrophobicContact CG2-CD2 3.88Å; T196-Y201 HydrophobicContact CG2-CE2 3.48Å; T196-Y201 VanDerWaalsContact CG2-CE2 3.48Å; Y201-F215 HydrophobicContact CD1-CE1 4.16Å; Y201-F215 HydrophobicContact CD1-CZ 4.32Å; Y201-T216 CarbonylContact C-O 3.56Å; Y201-T216 VanDerWaalsContact CA-O 3.3Å; Y201-T216 WeakPolarHBondContact CA-O 3.16Å; Y201-R217 HydrophobicContact CD1-CB 3.95Å; Y201-R217 HydrophobicContact CD1-CG 4.11Å; Y201-R217 HydrophobicContact CE1-CB 3.85Å; Y201-R217 HydrophobicContact CE1-CG 3.76Å; Y201-R217 HydrophobicContact CE2-CG 4.17Å; Y201-R217 HydrophobicContact CG-CG 4.49Å; Y201-R217 WeakPolarHBondContact OH-CD 3.39Å; Y201-I260 HydrophobicContact CD1-CB 4.26Å; Y201-I260 HydrophobicContact CD1-CG1 3.75Å; Y201-I260 HydrophobicContact CD1-CG2 4.21Å; Y201-I260 HydrophobicContact CD2-CD1 4.34Å; Y201-I260 HydrophobicContact CD2-CG1 4.22Å; Y201-I260 HydrophobicContact CE1-CB 4.39Å; Y201-I260 HydrophobicContact CE1-CD1 4.47Å; Y201-I260 HydrophobicContact CE1-CG1 3.52Å; Y201-I260 HydrophobicContact CE2-CD1 4.15Å; Y201-I260 HydrophobicContact CE2-CG1 4.06Å; Y201-I260 HydrophobicContact CG-CG1 4.07Å; Y201-I260 HydrophobicContact CG-CG2 4.26Å; Y201-K287 WeakPolarHBondContact OH-CG 3.44Å; Y201-K287 PolarHBondContact OH-O 3.48Å; Y201-W300 HydrophobicContact CD1-CH2 4.26Å; Y201-W300 HydrophobicContact CD1-CZ2 4.47Å; Y201-W300 AromaticContact CE1-CH2 3.82Å; Y201-W300 HydrophobicContact CE1-CH2 3.82Å; Y201-W300 HydrophobicContact CE1-CZ2 4.47Å
202	S	98	Very high	92.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	131.8	-175.3	55.2	0	0	0	0	111.9	L181 A192 F215 T216	L181-S202 WeakPolarHBondContact O-CB 3.43Å; L181-S202 PolarHBondContact O-OG 2.04Å; A192-S202 CarbonylContact O-C 3.59Å; A192-S202 WeakPolarHBondContact O-CA 3.15Å; S202-F215 CarbonylContact O-C 3.6Å; S202-F215 WeakPolarHBondContact O-CA 3.49Å; S202-T216 PolarHBondContact N-O 2.96Å; S202-T216 PolarHBondContact O-N 2.82Å; S202-T216 PolarHBondContact OG-OG1 3.42Å
203	G	97.6	Very high	92.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	113.3	168.1	0	0	0	0	0	109.7	F191 A192 A214 F243	F191-G203 WeakPolarHBondContact CA-O 3.39Å; A192-G203 PolarHBondContact N-O 3.36Å; A192-G203 PolarHBondContact O-N 3.45Å; G203-A214 WeakPolarHBondContact CA-O 3.28Å; G203-F243 VanDerWaalsContact C-CE2 3.47Å; G203-F243 VanDerWaalsContact CA-CD2 3.49Å; G203-F243 VanDerWaalsContact O-CD2 3.3Å; G203-F243 WeakPolarHBondContact O-CD2 3.4Å
204	T	96.1	Very high	92.2	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	174.1	180	-170.1	0	0	0	0	111.7	L181 P184 A214	L181-T204 VanDerWaalsContact C-CG2 3.47Å; L181-T204 WeakPolarHBondContact O-CG2 3.27Å; P184-T204 VanDerWaalsContact CA-OG1 3.28Å; P184-T204 WeakPolarHBondContact CA-OG1 3.37Å; P184-T204 WeakPolarHBondContact CB-OG1 3.34Å; T204-A214 PolarHBondContact N-O 3.03Å; T204-A214 VanDerWaalsContact N-O 3.09Å; T204-A214 PolarHBondContact O-N 3.49Å
205	A	92.7	Very high	92.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	145.1	167.5	0	0	0	0	0	112.3	D212 T213	A205-D212 CarbonylContact C-O 3.57Å; A205-D212 WeakPolarHBondContact CA-O 3.42Å; A205-T213 HydrophobicContact CB-CG2 4.43Å
206	S	87.6	Confident	92.3	Very high	8 Å²	8	34.4 Å²	34.4	6%	0.056	18%	0.176	C	C	.	.	S	Bend	trans	-90.9	-14.2	-177.9	71	0	0	0	0	113.3	R180 D212	R180-S206 PolarHBondContact NE-O 3.45Å; R180-S206 VanDerWaalsContact NE-O 3.08Å; R180-S206 PolarHBondContact NH2-O 2.92Å; S206-D212 WeakPolarHBondContact CB-O 3.33Å; S206-D212 PolarHBondContact N-O 3.18Å; S206-D212 WeakPolarHBondContact OG-CB 3.33Å; S206-D212 PolarHBondContact OG-O 3.29Å
207	D	87.1	Confident	92.5	Very high	28 Å²	28	33.7 Å²	33.7	15%	0.15	17%	0.171	C	C	.	.	S	Bend	trans	-138.3	167.1	-171.3	74	-30.9	0	0	0	113.1	F185 L209 G210 K211 D212	F185-D207 WeakPolarHBondContact CD2-O 3.4Å; D207-L209 VanDerWaalsContact C-N 3.27Å; D207-L209 PolarHBondContact O-N 3.45Å; D207-G210 PolarHBondContact O-N 2.92Å; D207-G210 PolarHBondContact OD1-N 3.14Å; D207-G210 VanDerWaalsContact OD1-N 3.12Å; D207-K211 PolarHBondContact OD1-N 3.38Å; D207-D212 PolarHBondContact OD1-N 2.91Å
208	F	88.3	Confident	92.6	Very high	74 Å²	74	29.3 Å²	29.3	33%	0.325	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-33.2	-179.5	178.7	-84	0	0	0	112.9	A120 K122 F151 F185 G210	A120-F208 HydrophobicContact CB-CE2 4.41Å; A120-F208 HydrophobicContact CB-CZ 3.8Å; K122-F208 HydrophobicContact CG-CZ 3.94Å; F151-F208 HydrophobicContact CB-CD2 3.63Å; F151-F208 HydrophobicContact CB-CE2 3.35Å; F151-F208 HydrophobicContact CB-CZ 4.43Å; F151-F208 AromaticContact CD1-CD2 3.64Å; F151-F208 HydrophobicContact CD1-CD2 3.64Å; F151-F208 HydrophobicContact CD1-CE1 4.49Å; F151-F208 AromaticContact CD1-CE2 3.4Å; F151-F208 HydrophobicContact CD1-CE2 3.4Å; F151-F208 HydrophobicContact CD1-CG 4.28Å; F151-F208 AromaticContact CD1-CZ 3.86Å; F151-F208 HydrophobicContact CD1-CZ 3.86Å; F151-F208 HydrophobicContact CE1-CE2 4.39Å; F151-F208 HydrophobicContact CE1-CZ 4.46Å; F151-F208 HydrophobicContact CG-CD2 4.03Å; F151-F208 AromaticContact CG-CE2 3.56Å; F151-F208 HydrophobicContact CG-CE2 3.56Å; F151-F208 HydrophobicContact CG-CZ 4.24Å; F185-F208 HydrophobicContact CD1-CB 4.43Å; F208-G210 VanDerWaalsContact C-N 3.31Å
209	L	87.8	Confident	92.6	Very high	140 Å²	140	27.1 Å²	27.1	73%	0.733	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-11.2	-177.5	-61.3	175.4	0	0	0	113.2	D207 K211	D207-L209 VanDerWaalsContact C-N 3.27Å; D207-L209 PolarHBondContact O-N 3.45Å; L209-K211 PolarHBondContact O-N 2.85Å
210	G	84.1	Confident	92.2	Very high	22 Å²	22	26.1 Å²	26.1	23%	0.227	14%	0.135	C	C	.	.	S	Bend	trans	70.3	16.9	-178	0	0	0	0	0	114.2	D207 F208	D207-G210 PolarHBondContact O-N 2.92Å; D207-G210 PolarHBondContact OD1-N 3.14Å; D207-G210 VanDerWaalsContact OD1-N 3.12Å; F208-G210 VanDerWaalsContact C-N 3.31Å
211	K	82.9	Confident	91.5	Very high	155 Å²	155	27.3 Å²	27.3	67%	0.674	14%	0.143	S	C	*	.			trans	-81.9	-45.5	-174	-173.4	-176.5	177.1	-172.7	0	111.3	D207 L209	D207-K211 PolarHBondContact OD1-N 3.38Å; L209-K211 PolarHBondContact O-N 2.85Å
212	D	87.8	Confident	90.4	Very high	66 Å²	66	33.5 Å²	33.5	35%	0.353	18%	0.18	S	C	.	.	S	Bend	trans	-98.5	119.1	-175.2	-70.2	-22.8	0	0	0	109.2	A205 S206 D207	A205-D212 CarbonylContact C-O 3.57Å; A205-D212 WeakPolarHBondContact CA-O 3.42Å; S206-D212 WeakPolarHBondContact CB-O 3.33Å; S206-D212 PolarHBondContact N-O 3.18Å; S206-D212 WeakPolarHBondContact OG-CB 3.33Å; S206-D212 PolarHBondContact OG-O 3.29Å; D207-D212 PolarHBondContact OD1-N 2.91Å
213	T	93	Very high	89.2	Confident	15 Å²	15	41.3 Å²	41.3	9%	0.092	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	146.1	-173.8	52.1	0	0	0	0	110	A205 A241	A205-T213 HydrophobicContact CB-CG2 4.43Å; T213-A241 WeakPolarHBondContact CG2-O 3.45Å; T213-A241 PolarHBondContact OG1-N 3.49Å
214	A	95.3	Very high	88.2	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	147.2	-178.8	0	0	0	0	0	112.5	L181 G203 T204 T216 T230	L181-A214 HydrophobicContact CD2-CB 3.92Å; G203-A214 WeakPolarHBondContact CA-O 3.28Å; T204-A214 PolarHBondContact N-O 3.03Å; T204-A214 VanDerWaalsContact N-O 3.09Å; T204-A214 PolarHBondContact O-N 3.49Å; A214-T216 HydrophobicContact CB-CG2 4.05Å; A214-T230 VanDerWaalsContact CA-OG1 3.31Å; A214-T230 WeakPolarHBondContact CA-OG1 3.39Å; A214-T230 WeakPolarHBondContact CB-OG1 3.45Å
215	F	97.6	Very high	87.3	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	124.9	167	-170.6	-98.9	0	0	0	109.2	Y201 S202 R229 T230 F243 I260 F262 V285 W300	Y201-F215 HydrophobicContact CD1-CE1 4.16Å; Y201-F215 HydrophobicContact CD1-CZ 4.32Å; S202-F215 CarbonylContact O-C 3.6Å; S202-F215 WeakPolarHBondContact O-CA 3.49Å; F215-R229 CarbonylContact O-C 3.51Å; F215-R229 WeakPolarHBondContact O-CA 3.38Å; F215-T230 HydrophobicContact CB-CG2 3.91Å; F215-T230 PolarHBondContact N-OG1 3.23Å; F215-T230 VanDerWaalsContact N-OG1 3.15Å; F215-T230 PolarHBondContact O-N 3.12Å; F215-F243 HydrophobicContact CB-CE1 4.02Å; F215-F243 HydrophobicContact CB-CZ 4.15Å; F215-F243 HydrophobicContact CD2-CD1 4.43Å; F215-F243 HydrophobicContact CD2-CE1 4.07Å; F215-I260 HydrophobicContact CE1-CG2 4.45Å; F215-I260 HydrophobicContact CZ-CG2 3.88Å; F215-F262 HydrophobicContact CB-CE2 4.18Å; F215-F262 HydrophobicContact CB-CZ 4.08Å; F215-F262 AromaticContact CD1-CD1 3.95Å; F215-F262 HydrophobicContact CD1-CD1 3.95Å; F215-F262 AromaticContact CD1-CE1 3.61Å; F215-F262 HydrophobicContact CD1-CE1 3.61Å; F215-F262 AromaticContact CD1-CZ 3.92Å; F215-F262 HydrophobicContact CD1-CZ 3.92Å; F215-F262 HydrophobicContact CD2-CB 4.23Å; F215-F262 HydrophobicContact CD2-CD1 4.02Å; F215-F262 AromaticContact CD2-CD2 3.96Å; F215-F262 HydrophobicContact CD2-CD2 3.96Å; F215-F262 HydrophobicContact CD2-CE1 4.29Å; F215-F262 HydrophobicContact CD2-CE2 4.23Å; F215-F262 AromaticContact CD2-CG 3.82Å; F215-F262 HydrophobicContact CD2-CG 3.82Å; F215-F262 HydrophobicContact CD2-CZ 4.34Å; F215-F262 AromaticContact CE1-CD1 3.68Å; F215-F262 HydrophobicContact CE1-CD1 3.68Å; F215-F262 AromaticContact CE1-CE1 3.71Å; F215-F262 HydrophobicContact CE1-CE1 3.71Å; F215-F262 HydrophobicContact CE1-CG 4.41Å; F215-F262 HydrophobicContact CE1-CZ 4.46Å; F215-F262 HydrophobicContact CE2-CB 3.7Å; F215-F262 AromaticContact CE2-CD1 3.76Å; F215-F262 HydrophobicContact CE2-CD1 3.76Å; F215-F262 HydrophobicContact CE2-CD2 4.27Å; F215-F262 HydrophobicContact CE2-CE1 4.37Å; F215-F262 AromaticContact CE2-CG 3.66Å; F215-F262 HydrophobicContact CE2-CG 3.66Å; F215-F262 HydrophobicContact CG-CD1 4.11Å; F215-F262 HydrophobicContact CG-CD2 4.27Å; F215-F262 AromaticContact CG-CE1 3.91Å; F215-F262 HydrophobicContact CG-CE1 3.91Å; F215-F262 HydrophobicContact CG-CE2 4.08Å; F215-F262 HydrophobicContact CG-CG 4.26Å; F215-F262 AromaticContact CG-CZ 3.85Å; F215-F262 HydrophobicContact CG-CZ 3.85Å; F215-F262 HydrophobicContact CZ-CB 4.14Å; F215-F262 AromaticContact CZ-CD1 3.57Å; F215-F262 HydrophobicContact CZ-CD1 3.57Å; F215-F262 HydrophobicContact CZ-CE1 4.09Å; F215-F262 AromaticContact CZ-CG 3.98Å; F215-F262 HydrophobicContact CZ-CG 3.98Å; F215-V285 HydrophobicContact CE1-CG2 3.94Å; F215-W300 HydrophobicContact CD1-CZ2 4.33Å; F215-W300 AromaticContact CD1-NE1 3.93Å; F215-W300 HydrophobicContact CE1-CZ2 4.39Å; F215-W300 PolarHBondContact O-NE1 3.16Å
216	T	97	Very high	86.8	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	152.6	-169.3	74.7	0	0	0	0	112.3	L181 Y201 S202 A214 Y227 I228 R229	L181-T216 HydrophobicContact CB-CG2 4.26Å; L181-T216 HydrophobicContact CD2-CG2 4.1Å; L181-T216 PolarHBondContact O-OG1 2.86Å; Y201-T216 CarbonylContact C-O 3.56Å; Y201-T216 VanDerWaalsContact CA-O 3.3Å; Y201-T216 WeakPolarHBondContact CA-O 3.16Å; S202-T216 PolarHBondContact N-O 2.96Å; S202-T216 PolarHBondContact O-N 2.82Å; S202-T216 PolarHBondContact OG-OG1 3.42Å; A214-T216 HydrophobicContact CB-CG2 4.05Å; T216-Y227 WeakPolarHBondContact CG2-OH 3.47Å; T216-I228 CarbonylContact C-O 3.52Å; T216-I228 WeakPolarHBondContact CA-O 3.14Å; T216-I228 WeakPolarHBondContact CB-O 3.42Å; T216-R229 HydrophobicContact CG2-CB 3.69Å
217	R	96.9	Very high	87.1	Confident	6 Å²	6	56.1 Å²	56.1	2%	0.023	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	129.3	162.3	-175.5	-179.1	77	-153.6	-0.3	108.3	Y199 L200 Y201 Y227 I228 K287 D289 W300	Y199-R217 HydrophobicContact CD1-CG 3.94Å; Y199-R217 HydrophobicContact CG-CG 4.23Å; L200-R217 WeakPolarHBondContact O-CA 3.4Å; Y201-R217 HydrophobicContact CD1-CB 3.95Å; Y201-R217 HydrophobicContact CD1-CG 4.11Å; Y201-R217 HydrophobicContact CE1-CB 3.85Å; Y201-R217 HydrophobicContact CE1-CG 3.76Å; Y201-R217 HydrophobicContact CE2-CG 4.17Å; Y201-R217 HydrophobicContact CG-CG 4.49Å; Y201-R217 WeakPolarHBondContact OH-CD 3.39Å; R217-Y227 WeakPolarHBondContact O-CA 3.21Å; R217-I228 PolarHBondContact N-O 3.4Å; R217-I228 PolarHBondContact O-N 3.28Å; R217-I228 VanDerWaalsContact O-N 3.07Å; R217-K287 PolarHBondContact NH1-O 3.15Å; R217-D289 VanDerWaalsContact CZ-O 3.24Å; R217-D289 PolarHBondContact NH1-O 3.28Å; R217-D289 PolarHBondContact NH2-O 2.72Å; R217-W300 HydrophobicContact CB-CH2 3.52Å; R217-W300 HydrophobicContact CB-CZ2 3.7Å; R217-W300 HydrophobicContact CG-CH2 4.5Å
218	S	93.8	Very high	87.5	Confident	8 Å²	8	54.9 Å²	54.9	6%	0.056	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	176.1	177.9	67.4	0	0	0	0	110	L200	L200-S218 PolarHBondContact N-O 3.06Å; L200-S218 PolarHBondContact O-N 3.03Å
219	L	90.9	Very high	87.8	Confident	24 Å²	24	52.9 Å²	52.9	13%	0.126	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	59.8	-162.1	-170.7	-48.2	179.5	0	0	0	111.4	Y144 M195 E198 Y199 L200	Y144-L219 HydrophobicContact CD1-CD1 4.26Å; Y144-L219 HydrophobicContact CD2-CD1 4.07Å; Y144-L219 HydrophobicContact CE1-CD1 4Å; Y144-L219 HydrophobicContact CE2-CD1 3.78Å; Y144-L219 HydrophobicContact CE2-CD2 4.32Å; Y144-L219 HydrophobicContact CG-CD1 4.28Å; M195-L219 HydrophobicContact CE-CD1 3.86Å; M195-L219 HydrophobicContact SD-CD1 4.32Å; E198-L219 WeakPolarHBondContact O-CB 3.34Å; Y199-L219 VanDerWaalsContact CD1-O 3.26Å; Y199-L219 WeakPolarHBondContact CD1-O 3.45Å; Y199-L219 WeakPolarHBondContact CE1-O 3.5Å; L200-L219 HydrophobicContact CB-CD1 3.81Å; L200-L219 HydrophobicContact CB-CG 4.16Å
220	G	86.3	Confident	88.1	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.01	23%	0.233	C	C	.	.			trans	136.5	179.3	-178.6	0	0	0	0	0	111.4	E198 Y199 H225	E198-G220 PolarHBondContact O-N 3.36Å; Y199-G220 VanDerWaalsContact CD1-CA 3.48Å; G220-H225 VanDerWaalsContact C-CD2 3.41Å; G220-H225 PolarHBondContact O-CD2 2.93Å; G220-H225 PolarHBondContact O-NE2 3.26Å
221	P	83.5	Confident	88.4	Confident	26 Å²	26	45.7 Å²	45.7	17%	0.169	22%	0.224	C	C	.	.			trans	-65.5	148.9	166.8	-20.6	33.9	0	0	0	110.8	Y199 H223 D224 H225	Y199-P221 WeakPolarHBondContact OH-CD 3.36Å; P221-H223 VanDerWaalsContact CB-CE1 3.45Å; P221-H223 WeakPolarHBondContact CB-CE1 3.19Å; P221-H223 PolarHBondContact O-N 3.21Å; P221-D224 CarbonylContact O-C 3.59Å; P221-D224 PolarHBondContact O-N 2.68Å; P221-H225 PolarHBondContact O-CD2 3.16Å; P221-H225 PolarHBondContact O-N 2.78Å; P221-H225 PolarHBondContact O-NE2 2.85Å
222	T	74.9	Confident	88.4	Confident	129 Å²	129	42.2 Å²	42.2	79%	0.791	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-26.2	-175.7	48.2	0	0	0	0	115.5
223	H	72.9	Confident	87.7	Confident	164 Å²	164	42.8 Å²	42.8	76%	0.759	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-6.8	179.9	53.3	-83.7	0	0	0	114	P221	P221-H223 VanDerWaalsContact CB-CE1 3.45Å; P221-H223 WeakPolarHBondContact CB-CE1 3.19Å; P221-H223 PolarHBondContact O-N 3.21Å
224	D	76.4	Confident	86.5	Confident	58 Å²	58	44.3 Å²	44.3	31%	0.31	23%	0.227	S	C	.	.			trans	-139.8	43.9	-174.9	-163.6	-1	0	0	0	111.6	Y199 P221 H226	Y199-D224 WeakPolarHBondContact CE1-O 3.45Å; Y199-D224 WeakPolarHBondContact OH-CB 3.39Å; Y199-D224 PolarHBondContact OH-O 2.85Å; Y199-D224 PolarHBondContact OH-OD2 3.46Å; P221-D224 CarbonylContact O-C 3.59Å; P221-D224 PolarHBondContact O-N 2.68Å; D224-H226 PolarHBondContact O-N 3.28Å; D224-H226 VanDerWaalsContact O-N 3.1Å; D224-H226 IonicContact OD1-CD2 3.26Å; D224-H226 PolarHBondContact OD1-CD2 3.34Å; D224-H226 IonicContact OD1-CG 3.43Å; D224-H226 IonicContact OD1-NE2 2.78Å; D224-H226 PolarHBondContact OD1-NE2 3.44Å
225	H	77.3	Confident	85.3	Confident	113 Å²	113	50.6 Å²	50.6	52%	0.523	26%	0.256	S	S	.	.			trans	-76.8	90.8	173.1	-78.7	-178.7	0	0	0	110.5	G220 P221	G220-H225 VanDerWaalsContact C-CD2 3.41Å; G220-H225 PolarHBondContact O-CD2 2.93Å; G220-H225 PolarHBondContact O-NE2 3.26Å; P221-H225 PolarHBondContact O-CD2 3.16Å; P221-H225 PolarHBondContact O-N 2.78Å; P221-H225 PolarHBondContact O-NE2 2.85Å
226	H	82.6	Confident	84.3	Confident	61 Å²	61	54.9 Å²	54.9	28%	0.282	27%	0.273	S	S	.	.			trans	-115.6	107	176.9	-70.8	-27	0	0	0	111.7	D224	D224-H226 PolarHBondContact O-N 3.28Å; D224-H226 VanDerWaalsContact O-N 3.1Å; D224-H226 IonicContact OD1-CD2 3.26Å; D224-H226 PolarHBondContact OD1-CD2 3.34Å; D224-H226 IonicContact OD1-CG 3.43Å; D224-H226 IonicContact OD1-NE2 2.78Å; D224-H226 PolarHBondContact OD1-NE2 3.44Å
227	Y	92.5	Very high	83.9	Confident	89 Å²	89	55 Å²	55	35%	0.349	27%	0.273	S	S	.	.			trans	-78.7	125	173.2	178.4	-96.5	0	0	0	110.8	L181 T216 R217 R229 N298	L181-Y227 WeakPolarHBondContact CD1-OH 3.41Å; T216-Y227 WeakPolarHBondContact CG2-OH 3.47Å; R217-Y227 WeakPolarHBondContact O-CA 3.21Å; Y227-R229 HydrophobicContact CE1-CB 4.18Å; Y227-R229 HydrophobicContact CE1-CG 4.08Å; Y227-R229 PolarHBondContact OH-NH1 2.96Å; Y227-N298 WeakPolarHBondContact O-CB 3.34Å
228	I	95.4	Very high	83.7	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	144.7	179.5	-55.9	-178.5	0	0	0	110	T216 R217 D289 N298 W300	T216-I228 CarbonylContact C-O 3.52Å; T216-I228 WeakPolarHBondContact CA-O 3.14Å; T216-I228 WeakPolarHBondContact CB-O 3.42Å; R217-I228 PolarHBondContact N-O 3.4Å; R217-I228 PolarHBondContact O-N 3.28Å; R217-I228 VanDerWaalsContact O-N 3.07Å; I228-D289 WeakPolarHBondContact CD1-O 3.42Å; I228-N298 WeakPolarHBondContact CA-O 3.23Å; I228-W300 HydrophobicContact CB-CD2 4.39Å; I228-W300 HydrophobicContact CB-CE3 4.42Å; I228-W300 HydrophobicContact CB-CH2 4.14Å; I228-W300 HydrophobicContact CB-CZ2 4.12Å; I228-W300 HydrophobicContact CB-CZ3 4.3Å; I228-W300 HydrophobicContact CD1-CZ3 4.2Å; I228-W300 HydrophobicContact CG2-CB 4.5Å; I228-W300 HydrophobicContact CG2-CD2 3.4Å; I228-W300 HydrophobicContact CG2-CE3 3.58Å; I228-W300 HydrophobicContact CG2-CG 3.85Å; I228-W300 HydrophobicContact CG2-CH2 4.14Å; I228-W300 HydrophobicContact CG2-CZ2 4.01Å; I228-W300 HydrophobicContact CG2-CZ3 3.94Å
229	R	95.1	Very high	83.5	Confident	32 Å²	32	57.3 Å²	57.3	12%	0.121	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	165.4	177.8	63.1	176.1	-61.6	115.3	-5.2	113.7	L181 F215 T216 Y227 I232 N298 K299 W300	L181-R229 VanDerWaalsContact CD2-NH1 3.29Å; F215-R229 CarbonylContact O-C 3.51Å; F215-R229 WeakPolarHBondContact O-CA 3.38Å; T216-R229 HydrophobicContact CG2-CB 3.69Å; Y227-R229 HydrophobicContact CE1-CB 4.18Å; Y227-R229 HydrophobicContact CE1-CG 4.08Å; Y227-R229 PolarHBondContact OH-NH1 2.96Å; R229-I232 VanDerWaalsContact NH2-CG1 3.32Å; R229-N298 PolarHBondContact N-O 3.04Å; R229-N298 VanDerWaalsContact N-O 3.12Å; R229-K299 WeakPolarHBondContact O-CA 3.46Å; R229-W300 PolarHBondContact O-N 2.96Å; R229-W300 VanDerWaalsContact O-N 3.15Å
230	T	95	Very high	83.4	Confident	2 Å²	2	57.8 Å²	57.8	1%	0.012	30%	0.297	C	S	.	.			trans	-65.9	148.6	164.6	48	0	0	0	0	111.8	A214 F215 I232 W237 L238	A214-T230 VanDerWaalsContact CA-OG1 3.31Å; A214-T230 WeakPolarHBondContact CA-OG1 3.39Å; A214-T230 WeakPolarHBondContact CB-OG1 3.45Å; F215-T230 HydrophobicContact CB-CG2 3.91Å; F215-T230 PolarHBondContact N-OG1 3.23Å; F215-T230 VanDerWaalsContact N-OG1 3.15Å; F215-T230 PolarHBondContact O-N 3.12Å; T230-I232 PolarHBondContact O-N 3.3Å; T230-W237 HydrophobicContact CG2-CE3 4.11Å; T230-L238 HydrophobicContact CG2-CD1 3.92Å; T230-L238 HydrophobicContact CG2-CG 4.48Å; T230-L238 WeakPolarHBondContact OG1-CD1 3.27Å
231	D	89.4	Confident	83.8	Confident	9 Å²	9	57.9 Å²	57.9	5%	0.048	30%	0.297	C	S	.	.			trans	-69.2	128.6	175.6	-157.5	-19.2	0	0	0	110.9	S233 W237 K299	D231-S233 WeakPolarHBondContact OD1-CB 3.39Å; D231-S233 PolarHBondContact OD1-N 3.18Å; D231-S233 PolarHBondContact OD1-OG 2.64Å; D231-S233 PolarHBondContact OD2-OG 3.24Å; D231-W237 HydrophobicContact CB-CD2 3.88Å; D231-W237 HydrophobicContact CB-CE3 3.96Å; D231-W237 HydrophobicContact CB-CG 4.45Å; D231-W237 HydrophobicContact CB-CH2 4.07Å; D231-W237 HydrophobicContact CB-CZ2 4.05Å; D231-W237 HydrophobicContact CB-CZ3 4.06Å; D231-K299 HydrophobicContact CB-CD 3.93Å; D231-K299 WeakPolarHBondContact OD1-CE 3.19Å; D231-K299 IonicContact OD1-NZ 3.48Å; D231-K299 PolarHBondContact OD1-NZ 3.49Å; D231-K299 IonicContact OD2-NZ 2.89Å; D231-K299 PolarHBondContact OD2-NZ 2.7Å
232	I	83	Confident	84.4	Confident	83 Å²	83	61.3 Å²	61.3	43%	0.426	31%	0.31	S	S	.	.	S	Bend	trans	-88.2	-25.1	177.7	-51.9	170.1	0	0	0	110.7	R229 T230 E234	R229-I232 VanDerWaalsContact NH2-CG1 3.32Å; T230-I232 PolarHBondContact O-N 3.3Å; I232-E234 PolarHBondContact O-N 3.41Å
233	S	72.7	Confident	85.5	Confident	78 Å²	78	55.2 Å²	55.2	55%	0.545	27%	0.272	S	S	.	.	S	Bend	trans	-70.8	-16.4	-175.3	61.7	0	0	0	0	113.5	D231	D231-S233 WeakPolarHBondContact OD1-CB 3.39Å; D231-S233 PolarHBondContact OD1-N 3.18Å; D231-S233 PolarHBondContact OD1-OG 2.64Å; D231-S233 PolarHBondContact OD2-OG 3.24Å
234	E	68.6	Low	86.6	Confident	46 Å²	46	48.7 Å²	48.7	22%	0.215	24%	0.243	C	C	.	.			trans	-117.6	103.3	-175.8	-60.5	-69.2	175.1	0	0	109.5	I232 Y236 W237 K422	I232-E234 PolarHBondContact O-N 3.41Å; E234-Y236 PolarHBondContact O-N 3.23Å; E234-W237 PolarHBondContact O-N 2.89Å; E234-W237 VanDerWaalsContact O-N 3.08Å; E234-K422 HydrophobicContact CG-CG 4.49Å; E234-K422 WeakPolarHBondContact OE1-CE 3.26Å; E234-K422 IonicContact OE1-NZ 3.55Å; E234-K422 PolarHBondContact OE1-NZ 2.88Å; E234-K422 VanDerWaalsContact OE1-NZ 3.11Å
235	H	69.3	Low	87.6	Confident	132 Å²	132	46.4 Å²	46.4	61%	0.611	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-15.1	179.5	-65.8	-58.2	0	0	0	113.9	W237 Q269	H235-W237 VanDerWaalsContact C-N 3.3Å; H235-W237 PolarHBondContact O-N 2.77Å; H235-Q269 PolarHBondContact O-NE2 2.68Å
236	Y	77.5	Confident	88.6	Confident	91 Å²	91	41.4 Å²	41.4	36%	0.357	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-24.2	176.3	-52.6	-65.7	0	0	0	113.6	E234 Q269 K305 K376 W383	E234-Y236 PolarHBondContact O-N 3.23Å; Y236-Q269 VanDerWaalsContact CD1-OE1 3.27Å; Y236-K305 VanDerWaalsContact O-CE 3.26Å; Y236-K305 WeakPolarHBondContact O-CE 3.38Å; Y236-K305 PolarHBondContact O-NZ 2.8Å; Y236-K376 HydrophobicContact CD1-CD 4.44Å; Y236-K376 HydrophobicContact CE1-CD 3.84Å; Y236-W383 HydrophobicContact CD1-CH2 4.03Å; Y236-W383 AromaticContact CD1-CZ2 3.96Å; Y236-W383 HydrophobicContact CD1-CZ2 3.96Å
237	W	88.9	Confident	89.3	Confident	1 Å²	1	40.9 Å²	40.9	0%	0.004	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-57.2	-177.4	-77.7	46.8	0	0	0	111.7	T230 D231 E234 H235 L296 W300 F303 K305 K422	T230-W237 HydrophobicContact CG2-CE3 4.11Å; D231-W237 HydrophobicContact CB-CD2 3.88Å; D231-W237 HydrophobicContact CB-CE3 3.96Å; D231-W237 HydrophobicContact CB-CG 4.45Å; D231-W237 HydrophobicContact CB-CH2 4.07Å; D231-W237 HydrophobicContact CB-CZ2 4.05Å; D231-W237 HydrophobicContact CB-CZ3 4.06Å; E234-W237 PolarHBondContact O-N 2.89Å; E234-W237 VanDerWaalsContact O-N 3.08Å; H235-W237 VanDerWaalsContact C-N 3.3Å; H235-W237 PolarHBondContact O-N 2.77Å; W237-L296 HydrophobicContact CH2-CD1 4.3Å; W237-L296 HydrophobicContact CH2-CD2 4.18Å; W237-L296 HydrophobicContact CZ2-CD1 4.36Å; W237-L296 HydrophobicContact CZ2-CD2 4.18Å; W237-W300 WeakPolarHBondContact CH2-O 3.41Å; W237-W300 HydrophobicContact CZ3-CB 4.2Å; W237-F303 HydrophobicContact CB-CE1 3.98Å; W237-F303 AromaticContact CD2-CD1 3.79Å; W237-F303 HydrophobicContact CD2-CD1 3.79Å; W237-F303 HydrophobicContact CD2-CE1 4.11Å; W237-F303 AromaticContact CE3-CD1 3.42Å; W237-F303 HydrophobicContact CE3-CD1 3.42Å; W237-F303 VanDerWaalsContact CE3-CD1 3.42Å; W237-F303 AromaticContact CE3-CE1 3.97Å; W237-F303 HydrophobicContact CE3-CE1 3.97Å; W237-F303 HydrophobicContact CE3-CG 4.24Å; W237-F303 HydrophobicContact CG-CD1 4.28Å; W237-F303 HydrophobicContact CG-CE1 4.13Å; W237-F303 HydrophobicContact CZ3-CB 4.2Å; W237-F303 AromaticContact CZ3-CD1 3.95Å; W237-F303 HydrophobicContact CZ3-CD1 3.95Å; W237-F303 HydrophobicContact CZ3-CG 4.42Å; W237-K305 WeakPolarHBondContact O-CE 3.17Å; W237-K305 PolarHBondContact O-NZ 2.94Å; W237-K422 PolarHBondContact NE1-O 2.8Å
238	L	92	Very high	89.6	Confident	18 Å²	18	39.6 Å²	39.6	9%	0.094	21%	0.209	C	C	.	.			trans	-141.5	133	176	-64.8	175	0	0	0	109.1	T230 A241 F243 F264 F303	T230-L238 HydrophobicContact CG2-CD1 3.92Å; T230-L238 HydrophobicContact CG2-CG 4.48Å; T230-L238 WeakPolarHBondContact OG1-CD1 3.27Å; L238-A241 HydrophobicContact CB-CB 4.18Å; L238-A241 HydrophobicContact CD2-CB 3.94Å; L238-A241 HydrophobicContact CG-CB 4.47Å; L238-F243 HydrophobicContact CD1-CZ 3.83Å; L238-F264 HydrophobicContact CD2-CD2 4.28Å; L238-F264 HydrophobicContact CD2-CE1 4.43Å; L238-F264 HydrophobicContact CD2-CE2 3.58Å; L238-F264 HydrophobicContact CD2-CZ 3.67Å; L238-F303 HydrophobicContact CD2-CZ 4.29Å
239	N	89.5	Confident	89.6	Confident	46 Å²	46	39.7 Å²	39.7	25%	0.246	21%	0.21	C	C	.	.	S	Bend	trans	-124.1	91.1	179.2	-174.5	26.1	0	0	0	111.6	A241 E266 S267	N239-A241 VanDerWaalsContact C-N 3.31Å; N239-A241 PolarHBondContact O-N 3.35Å; N239-E266 PolarHBondContact N-OE2 2.86Å; N239-E266 WeakPolarHBondContact O-CB 3.05Å; N239-S267 PolarHBondContact ND2-O 3.35Å; N239-S267 PolarHBondContact O-N 2.79Å
240	G	88.8	Confident	89.5	Confident	34 Å²	34	39.8 Å²	39.8	35%	0.351	21%	0.214	S	C	.	.	S	Bend	trans	58.6	43.4	-176.4	0	0	0	0	0	112.3	K242	G240-K242 PolarHBondContact O-N 3.36Å
241	A	94	Very high	89.3	Confident	3 Å²	3	40.8 Å²	40.8	3%	0.025	22%	0.22	C	C	.	.			trans	-67.9	129.5	-173	0	0	0	0	0	112	T213 L238 N239 F243 F264 R265 E266	T213-A241 WeakPolarHBondContact CG2-O 3.45Å; T213-A241 PolarHBondContact OG1-N 3.49Å; L238-A241 HydrophobicContact CB-CB 4.18Å; L238-A241 HydrophobicContact CD2-CB 3.94Å; L238-A241 HydrophobicContact CG-CB 4.47Å; N239-A241 VanDerWaalsContact C-N 3.31Å; N239-A241 PolarHBondContact O-N 3.35Å; A241-F243 HydrophobicContact CB-CE2 4.24Å; A241-F243 HydrophobicContact CB-CZ 4.17Å; A241-F264 HydrophobicContact CB-CD2 3.72Å; A241-F264 HydrophobicContact CB-CE2 4.19Å; A241-R265 CarbonylContact C-O 3.59Å; A241-R265 WeakPolarHBondContact CA-O 3.4Å; A241-E266 HydrophobicContact CB-CB 4.45Å
242	K	95.9	Very high	89.3	Confident	98 Å²	98	42.3 Å²	42.3	43%	0.426	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	109.1	170.2	-59.3	-178	-178.8	-178.5	0	108.2	P190 G240 F264 R265	P190-K242 HydrophobicContact CB-CB 4.25Å; P190-K242 HydrophobicContact CG-CB 4.26Å; P190-K242 HydrophobicContact CG-CD 4.44Å; G240-K242 PolarHBondContact O-N 3.36Å; K242-F264 CarbonylContact O-C 3.54Å; K242-F264 VanDerWaalsContact O-CA 3.24Å; K242-F264 WeakPolarHBondContact O-CA 3.31Å; K242-F264 VanDerWaalsContact O-CB 3.29Å; K242-F264 WeakPolarHBondContact O-CB 3.24Å; K242-R265 HydrophobicContact CB-CG 3.88Å; K242-R265 PolarHBondContact N-O 2.78Å; K242-R265 PolarHBondContact O-N 3.05Å
243	F	97.7	Very high	89.6	Confident	1 Å²	1	47.7 Å²	47.7	0%	0.004	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	139.2	-177.2	-59.6	-87.7	0	0	0	111	P190 F191 A192 G203 F215 L238 A241 F262 F264	P190-F243 CarbonylContact C-O 3.41Å; P190-F243 WeakPolarHBondContact CB-O 3.45Å; F191-F243 PolarHBondContact N-O 2.83Å; A192-F243 HydrophobicContact CB-CB 3.86Å; G203-F243 VanDerWaalsContact C-CE2 3.47Å; G203-F243 VanDerWaalsContact CA-CD2 3.49Å; G203-F243 VanDerWaalsContact O-CD2 3.3Å; G203-F243 WeakPolarHBondContact O-CD2 3.4Å; F215-F243 HydrophobicContact CB-CE1 4.02Å; F215-F243 HydrophobicContact CB-CZ 4.15Å; F215-F243 HydrophobicContact CD2-CD1 4.43Å; F215-F243 HydrophobicContact CD2-CE1 4.07Å; L238-F243 HydrophobicContact CD1-CZ 3.83Å; A241-F243 HydrophobicContact CB-CE2 4.24Å; A241-F243 HydrophobicContact CB-CZ 4.17Å; F243-F262 HydrophobicContact CD1-CD2 4.21Å; F243-F262 HydrophobicContact CE1-CD2 4.02Å; F243-F262 HydrophobicContact CE1-CE2 4.14Å; F243-F264 HydrophobicContact CD1-CB 3.94Å; F243-F264 HydrophobicContact CD1-CG 4.43Å; F243-F264 HydrophobicContact CG-CB 4.4Å
244	I	97.6	Very high	90.5	Very high	27 Å²	27	45.6 Å²	45.6	14%	0.138	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	-48.8	-173	-56.8	-56.6	0	0	0	110.9	F263 L325 Q326 D327 I328	I244-F263 PolarHBondContact N-O 3.33Å; I244-L325 HydrophobicContact CB-CD2 4.1Å; I244-L325 HydrophobicContact CB-CG 4.43Å; I244-L325 HydrophobicContact CG1-CD2 3.97Å; I244-L325 HydrophobicContact CG1-CG 4.09Å; I244-L325 HydrophobicContact CG2-CD2 4.29Å; I244-L325 HydrophobicContact CG2-CG 4.25Å; I244-Q326 VanDerWaalsContact CG2-O 3.31Å; I244-Q326 WeakPolarHBondContact CG2-O 3.02Å; I244-D327 VanDerWaalsContact CG2-CA 3.45Å; I244-I328 HydrophobicContact CG2-CG1 4.46Å
245	G	97.3	Very high	91.6	Very high	9 Å²	9	47.5 Å²	47.5	9%	0.093	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	154.9	-179.6	0	0	0	0	0	112.5	F262 F263	G245-F262 CarbonylContact O-C 3.5Å; G245-F262 VanDerWaalsContact O-CA 3.3Å; G245-F262 WeakPolarHBondContact O-CA 3.37Å; G245-F263 PolarHBondContact N-O 2.9Å; G245-F263 PolarHBondContact O-N 3.04Å
246	T	98.3	Very high	92.7	Very high	8 Å²	8	43.9 Å²	43.9	5%	0.049	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	133.3	177.4	-179.9	0	0	0	0	110.2	A192 S193 V194 Y261	A192-T246 HydrophobicContact CB-CG2 3.87Å; S193-T246 VanDerWaalsContact CA-CG2 3.45Å; S193-T246 WeakPolarHBondContact O-CG2 3.32Å; V194-T246 HydrophobicContact CB-CG2 3.84Å; V194-T246 HydrophobicContact CG1-CG2 3.7Å; T246-Y261 CarbonylContact C-O 3.53Å; T246-Y261 WeakPolarHBondContact CA-O 3.39Å
247	F	97.8	Very high	93.3	Very high	51 Å²	51	39.9 Å²	39.9	22%	0.224	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	131.9	-167.5	-53.8	-83.2	0	0	0	110.9	I249 Y261 F263 I328 L330	F247-I249 HydrophobicContact CB-CD1 4.39Å; F247-I249 HydrophobicContact CB-CG1 4.16Å; F247-I249 PolarHBondContact O-N 2.04Å; F247-Y261 PolarHBondContact N-O 2.83Å; F247-Y261 PolarHBondContact O-N 3.01Å; F247-F263 AromaticContact CD2-CD2 3.95Å; F247-F263 HydrophobicContact CD2-CD2 3.95Å; F247-F263 AromaticContact CD2-CE2 3.86Å; F247-F263 HydrophobicContact CD2-CE2 3.86Å; F247-F263 AromaticContact CE2-CD2 3.99Å; F247-F263 HydrophobicContact CE2-CD2 3.99Å; F247-F263 HydrophobicContact CE2-CE2 4.19Å; F247-I328 HydrophobicContact CE2-CB 4.24Å; F247-I328 HydrophobicContact CE2-CG2 3.66Å; F247-I328 HydrophobicContact CZ-CG2 4.11Å; F247-L330 HydrophobicContact CB-CD1 3.49Å; F247-L330 VanDerWaalsContact CB-CD1 3.49Å; F247-L330 HydrophobicContact CD1-CD1 3.58Å; F247-L330 HydrophobicContact CD1-CG 3.99Å; F247-L330 HydrophobicContact CD2-CD1 3.82Å; F247-L330 HydrophobicContact CD2-CG 4.11Å; F247-L330 HydrophobicContact CE1-CD1 4.24Å; F247-L330 HydrophobicContact CE1-CG 4.13Å; F247-L330 HydrophobicContact CE2-CD1 4.44Å; F247-L330 HydrophobicContact CE2-CG 4.25Å; F247-L330 HydrophobicContact CG-CD1 3.34Å; F247-L330 HydrophobicContact CG-CG 3.98Å; F247-L330 HydrophobicContact CZ-CG 4.25Å
248	P	97.1	Very high	93.6	Very high	61 Å²	61	41.5 Å²	41.5	40%	0.396	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	120.8	165.9	30	-31.7	0	0	0	108.9	V194 I260	V194-P248 HydrophobicContact CG2-CG 4.48Å; P248-I260 HydrophobicContact CB-CD1 3.78Å
249	I	96.5	Very high	93.8	Very high	3 Å²	3	41 Å²	41	2%	0.015	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	114.6	175.6	-47.6	174.3	0	0	0	108.4	F247 K259 Y261 L330 P339 M362	F247-I249 HydrophobicContact CB-CD1 4.39Å; F247-I249 HydrophobicContact CB-CG1 4.16Å; F247-I249 PolarHBondContact O-N 2.04Å; I249-K259 PolarHBondContact N-O 2.65Å; I249-K259 PolarHBondContact O-N 3.11Å; I249-Y261 HydrophobicContact CB-CD2 3.68Å; I249-Y261 HydrophobicContact CB-CE2 3.97Å; I249-Y261 HydrophobicContact CD1-CD2 3.99Å; I249-Y261 HydrophobicContact CD1-CG 4.18Å; I249-Y261 HydrophobicContact CG1-CD2 4.04Å; I249-L330 HydrophobicContact CD1-CD1 3.75Å; I249-L330 HydrophobicContact CG1-CD1 4.19Å; I249-P339 HydrophobicContact CD1-CG 4.2Å; I249-P339 HydrophobicContact CG2-CG 4.28Å; I249-M362 HydrophobicContact CD1-CE 3.89Å; I249-M362 HydrophobicContact CD1-SD 3.83Å; I249-M362 HydrophobicContact CG2-CE 4.1Å
250	P	93.3	Very high	94.2	Very high	34 Å²	34	38.9 Å²	38.9	22%	0.221	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	137.6	175	21.9	-26.4	0	0	0	110.5	D258 R337 R366	P250-D258 WeakPolarHBondContact CB-OD1 3.01Å; P250-R337 HydrophobicContact CB-CG 3.96Å; P250-R337 HydrophobicContact CG-CG 3.7Å; P250-R337 WeakPolarHBondContact O-CB 3.48Å; P250-R337 WeakPolarHBondContact O-CG 3.23Å; P250-R366 PolarHBondContact O-NH2 3.02Å
251	D	90.1	Very high	94.7	Very high	24 Å²	24	37.2 Å²	37.2	13%	0.128	19%	0.192	C	C	.	.	S	Bend	trans	-87.7	-31.2	173.8	-87.5	0.7	0	0	0	112.3	K259 Y261 R284 R366	D251-K259 VanDerWaalsContact OD2-CD 3.28Å; D251-K259 WeakPolarHBondContact OD2-CD 3.38Å; D251-K259 WeakPolarHBondContact OD2-CE 3.49Å; D251-K259 IonicContact OD2-NZ 2.78Å; D251-K259 PolarHBondContact OD2-NZ 2.68Å; D251-Y261 VanDerWaalsContact CG-OH 3.31Å; D251-Y261 PolarHBondContact OD1-OH 3.02Å; D251-Y261 PolarHBondContact OD2-OH 3.2Å; D251-R284 IonicContact OD2-NH1 3.74Å; D251-R284 PolarHBondContact OD2-NH1 3.45Å; D251-R366 IonicContact OD1-CZ 3.98Å; D251-R366 IonicContact OD1-NE 3.22Å; D251-R366 PolarHBondContact OD1-NE 3.45Å; D251-R366 IonicContact OD1-NH2 2.7Å; D251-R366 PolarHBondContact OD1-NH2 2.93Å
252	T	90.4	Very high	94.9	Very high	41 Å²	41	37.1 Å²	37.1	25%	0.252	19%	0.191	S	C	.	.	S	Bend	trans	-134.9	-174.8	179.3	69.1	0	0	0	0	110.4	N254 D257 R337	T252-N254 PolarHBondContact OG1-N 2.89Å; T252-D257 WeakPolarHBondContact CG2-OD2 3.47Å; T252-D257 WeakPolarHBondContact OG1-CB 3.44Å; T252-D257 PolarHBondContact OG1-OD2 3.09Å; T252-R337 WeakPolarHBondContact O-CD 3.39Å
253	Y	89.2	Confident	95.1	Very high	195 Å²	195	32.4 Å²	32.4	77%	0.765	17%	0.171	S	C	*	.	S	Bend	trans	-79.9	-5.3	171.9	-66.6	-67.4	0	0	0	113.1	R337	Y253-R337 VanDerWaalsContact CE1-CZ 3.44Å; Y253-R337 PolarHBondContact OH-NH2 3.26Å
254	N	90.9	Very high	95.1	Very high	35 Å²	35	32.4 Å²	32.4	19%	0.187	17%	0.171	C	C	.	.			trans	-92.7	117.8	-178.9	-177.8	4.9	0	0	0	109.3	T252 D256 D257 S400 T402	T252-N254 PolarHBondContact OG1-N 2.89Å; N254-D256 PolarHBondContact O-N 3.38Å; N254-D256 VanDerWaalsContact O-N 3.17Å; N254-D256 PolarHBondContact OD1-N 3.29Å; N254-D257 WeakPolarHBondContact O-CB 3.49Å; N254-D257 PolarHBondContact O-N 3.05Å; N254-S400 PolarHBondContact ND2-OG 3.31Å; N254-T402 PolarHBondContact ND2-OG1 3.46Å
255	P	91.7	Very high	95	Very high	85 Å²	85	32.2 Å²	32.2	55%	0.552	17%	0.168	S	C	*	.	G	3₁₀ helix	trans	-63.7	-22.7	-176.6	26.5	-35.9	0	0	0	113.4	D257 D258	P255-D257 PolarHBondContact O-N 2.62Å; P255-D257 VanDerWaalsContact O-N 3.16Å; P255-D258 VanDerWaalsContact O-CB 3.31Å; P255-D258 WeakPolarHBondContact O-CB 3.34Å; P255-D258 VanDerWaalsContact O-CG 3.32Å; P255-D258 PolarHBondContact O-N 2.79Å; P255-D258 VanDerWaalsContact O-N 3.17Å
256	D	91.6	Very high	94.9	Very high	57 Å²	57	32.2 Å²	32.2	31%	0.305	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-62.3	-18.8	172.8	-70.7	-14	0	0	0	112.8	N254 N288 C398 S400	N254-D256 PolarHBondContact O-N 3.38Å; N254-D256 VanDerWaalsContact O-N 3.17Å; N254-D256 PolarHBondContact OD1-N 3.29Å; D256-N288 PolarHBondContact O-ND2 3.3Å; D256-C398 WeakPolarHBondContact O-CB 3.4Å; D256-S400 VanDerWaalsContact CB-OG 3.28Å; D256-S400 WeakPolarHBondContact CB-OG 3.48Å; D256-S400 PolarHBondContact OD2-OG 2.76Å
257	D	91.4	Very high	94.5	Very high	7 Å²	7	33.6 Å²	33.6	4%	0.037	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-105.5	10.1	-178.8	-158.3	20.1	0	0	0	112.7	T252 N254 P255 K259 C398 Y403	T252-D257 WeakPolarHBondContact CG2-OD2 3.47Å; T252-D257 WeakPolarHBondContact OG1-CB 3.44Å; T252-D257 PolarHBondContact OG1-OD2 3.09Å; N254-D257 WeakPolarHBondContact O-CB 3.49Å; N254-D257 PolarHBondContact O-N 3.05Å; P255-D257 PolarHBondContact O-N 2.62Å; P255-D257 VanDerWaalsContact O-N 3.16Å; D257-K259 PolarHBondContact O-NZ 3.21Å; D257-K259 IonicContact OD1-NZ 3.9Å; D257-K259 PolarHBondContact OD1-NZ 2.97Å; D257-K259 IonicContact OD2-NZ 2.82Å; D257-C398 PolarHBondContact OD1-SG 2.9Å; D257-Y403 HydrophobicContact CB-CE2 4.42Å; D257-Y403 PolarHBondContact OD2-OH 2.77Å
258	D	94.4	Very high	93.7	Very high	35 Å²	35	32.1 Å²	32.1	19%	0.187	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	138.3	173.6	-75.1	-3.2	0	0	0	110.6	P250 P255 K287	P250-D258 WeakPolarHBondContact CB-OD1 3.01Å; P255-D258 VanDerWaalsContact O-CB 3.31Å; P255-D258 WeakPolarHBondContact O-CB 3.34Å; P255-D258 VanDerWaalsContact O-CG 3.32Å; P255-D258 PolarHBondContact O-N 2.79Å; P255-D258 VanDerWaalsContact O-N 3.17Å; D258-K287 HydrophobicContact CB-CB 4.03Å; D258-K287 HydrophobicContact CB-CD 3.94Å; D258-K287 WeakPolarHBondContact O-CB 3.13Å; D258-K287 PolarHBondContact O-N 2.94Å
259	K	96.9	Very high	92.4	Very high	7 Å²	7	32 Å²	32	3%	0.03	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	153.1	-177.8	-63.6	-174.3	-172.2	63.9	0	111.4	I249 D251 D257 Y261 V285 C398	I249-K259 PolarHBondContact N-O 2.65Å; I249-K259 PolarHBondContact O-N 3.11Å; D251-K259 VanDerWaalsContact OD2-CD 3.28Å; D251-K259 WeakPolarHBondContact OD2-CD 3.38Å; D251-K259 WeakPolarHBondContact OD2-CE 3.49Å; D251-K259 IonicContact OD2-NZ 2.78Å; D251-K259 PolarHBondContact OD2-NZ 2.68Å; D257-K259 PolarHBondContact O-NZ 3.21Å; D257-K259 IonicContact OD1-NZ 3.9Å; D257-K259 PolarHBondContact OD1-NZ 2.97Å; D257-K259 IonicContact OD2-NZ 2.82Å; K259-Y261 HydrophobicContact CB-CD2 4.18Å; K259-Y261 HydrophobicContact CB-CE2 3.75Å; K259-V285 CarbonylContact C-O 3.56Å; K259-V285 VanDerWaalsContact CA-O 3.24Å; K259-V285 WeakPolarHBondContact CA-O 3.23Å; K259-V285 WeakPolarHBondContact CB-O 3.39Å; K259-C398 WeakPolarHBondContact CE-SG 3.35Å
260	I	98.4	Very high	90.8	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	119	167	-52.3	-55.9	0	0	0	107.4	T196 Y201 F215 P248 R284 V285	T196-I260 HydrophobicContact CG2-CD1 3.95Å; Y201-I260 HydrophobicContact CD1-CB 4.26Å; Y201-I260 HydrophobicContact CD1-CG1 3.75Å; Y201-I260 HydrophobicContact CD1-CG2 4.21Å; Y201-I260 HydrophobicContact CD2-CD1 4.34Å; Y201-I260 HydrophobicContact CD2-CG1 4.22Å; Y201-I260 HydrophobicContact CE1-CB 4.39Å; Y201-I260 HydrophobicContact CE1-CD1 4.47Å; Y201-I260 HydrophobicContact CE1-CG1 3.52Å; Y201-I260 HydrophobicContact CE2-CD1 4.15Å; Y201-I260 HydrophobicContact CE2-CG1 4.06Å; Y201-I260 HydrophobicContact CG-CG1 4.07Å; Y201-I260 HydrophobicContact CG-CG2 4.26Å; F215-I260 HydrophobicContact CE1-CG2 4.45Å; F215-I260 HydrophobicContact CZ-CG2 3.88Å; P248-I260 HydrophobicContact CB-CD1 3.78Å; I260-R284 VanDerWaalsContact O-CA 3.28Å; I260-R284 WeakPolarHBondContact O-CA 3.32Å; I260-V285 HydrophobicContact CB-CG2 3.98Å; I260-V285 PolarHBondContact N-O 2.86Å; I260-V285 PolarHBondContact O-N 3.39Å
261	Y	98.7	Very high	88.8	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	136.4	173.1	-72.4	-96.5	0	0	0	109.1	T246 F247 I249 D251 K259 V282 G283 R284 M362 I365 F369	T246-Y261 CarbonylContact C-O 3.53Å; T246-Y261 WeakPolarHBondContact CA-O 3.39Å; F247-Y261 PolarHBondContact N-O 2.83Å; F247-Y261 PolarHBondContact O-N 3.01Å; I249-Y261 HydrophobicContact CB-CD2 3.68Å; I249-Y261 HydrophobicContact CB-CE2 3.97Å; I249-Y261 HydrophobicContact CD1-CD2 3.99Å; I249-Y261 HydrophobicContact CD1-CG 4.18Å; I249-Y261 HydrophobicContact CG1-CD2 4.04Å; D251-Y261 VanDerWaalsContact CG-OH 3.31Å; D251-Y261 PolarHBondContact OD1-OH 3.02Å; D251-Y261 PolarHBondContact OD2-OH 3.2Å; K259-Y261 HydrophobicContact CB-CD2 4.18Å; K259-Y261 HydrophobicContact CB-CE2 3.75Å; Y261-V282 HydrophobicContact CD1-CG2 4.08Å; Y261-G283 CarbonylContact C-O 3.54Å; Y261-G283 WeakPolarHBondContact CA-O 3.25Å; Y261-R284 HydrophobicContact CD1-CB 3.82Å; Y261-R284 HydrophobicContact CE1-CB 3.79Å; Y261-R284 HydrophobicContact CE1-CG 4.45Å; Y261-R284 HydrophobicContact CG-CB 4.32Å; Y261-M362 HydrophobicContact CD1-CE 4.23Å; Y261-M362 HydrophobicContact CD2-CE 4.28Å; Y261-M362 HydrophobicContact CE1-CE 3.88Å; Y261-M362 HydrophobicContact CE2-CE 3.91Å; Y261-M362 HydrophobicContact CG-CE 4.41Å; Y261-I365 HydrophobicContact CD1-CG2 4.44Å; Y261-I365 HydrophobicContact CE1-CG2 4Å; Y261-F369 HydrophobicContact CD1-CE2 4.32Å; Y261-F369 HydrophobicContact CE1-CD2 4.24Å; Y261-F369 AromaticContact CE1-CE2 3.83Å; Y261-F369 HydrophobicContact CE1-CE2 3.83Å
262	F	98.7	Very high	86.7	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	141.6	177.6	57.7	-86.3	0	0	0	111.2	F215 F243 G245 F264 V282 G283 V285 F303	F215-F262 HydrophobicContact CB-CE2 4.18Å; F215-F262 HydrophobicContact CB-CZ 4.08Å; F215-F262 AromaticContact CD1-CD1 3.95Å; F215-F262 HydrophobicContact CD1-CD1 3.95Å; F215-F262 AromaticContact CD1-CE1 3.61Å; F215-F262 HydrophobicContact CD1-CE1 3.61Å; F215-F262 AromaticContact CD1-CZ 3.92Å; F215-F262 HydrophobicContact CD1-CZ 3.92Å; F215-F262 HydrophobicContact CD2-CB 4.23Å; F215-F262 HydrophobicContact CD2-CD1 4.02Å; F215-F262 AromaticContact CD2-CD2 3.96Å; F215-F262 HydrophobicContact CD2-CD2 3.96Å; F215-F262 HydrophobicContact CD2-CE1 4.29Å; F215-F262 HydrophobicContact CD2-CE2 4.23Å; F215-F262 AromaticContact CD2-CG 3.82Å; F215-F262 HydrophobicContact CD2-CG 3.82Å; F215-F262 HydrophobicContact CD2-CZ 4.34Å; F215-F262 AromaticContact CE1-CD1 3.68Å; F215-F262 HydrophobicContact CE1-CD1 3.68Å; F215-F262 AromaticContact CE1-CE1 3.71Å; F215-F262 HydrophobicContact CE1-CE1 3.71Å; F215-F262 HydrophobicContact CE1-CG 4.41Å; F215-F262 HydrophobicContact CE1-CZ 4.46Å; F215-F262 HydrophobicContact CE2-CB 3.7Å; F215-F262 AromaticContact CE2-CD1 3.76Å; F215-F262 HydrophobicContact CE2-CD1 3.76Å; F215-F262 HydrophobicContact CE2-CD2 4.27Å; F215-F262 HydrophobicContact CE2-CE1 4.37Å; F215-F262 AromaticContact CE2-CG 3.66Å; F215-F262 HydrophobicContact CE2-CG 3.66Å; F215-F262 HydrophobicContact CG-CD1 4.11Å; F215-F262 HydrophobicContact CG-CD2 4.27Å; F215-F262 AromaticContact CG-CE1 3.91Å; F215-F262 HydrophobicContact CG-CE1 3.91Å; F215-F262 HydrophobicContact CG-CE2 4.08Å; F215-F262 HydrophobicContact CG-CG 4.26Å; F215-F262 AromaticContact CG-CZ 3.85Å; F215-F262 HydrophobicContact CG-CZ 3.85Å; F215-F262 HydrophobicContact CZ-CB 4.14Å; F215-F262 AromaticContact CZ-CD1 3.57Å; F215-F262 HydrophobicContact CZ-CD1 3.57Å; F215-F262 HydrophobicContact CZ-CE1 4.09Å; F215-F262 AromaticContact CZ-CG 3.98Å; F215-F262 HydrophobicContact CZ-CG 3.98Å; F243-F262 HydrophobicContact CD1-CD2 4.21Å; F243-F262 HydrophobicContact CE1-CD2 4.02Å; F243-F262 HydrophobicContact CE1-CE2 4.14Å; G245-F262 CarbonylContact O-C 3.5Å; G245-F262 VanDerWaalsContact O-CA 3.3Å; G245-F262 WeakPolarHBondContact O-CA 3.37Å; F262-F264 AromaticContact CD2-CD1 3.66Å; F262-F264 HydrophobicContact CD2-CD1 3.66Å; F262-F264 AromaticContact CD2-CE1 3.83Å; F262-F264 HydrophobicContact CD2-CE1 3.83Å; F262-F264 AromaticContact CE2-CD1 3.89Å; F262-F264 HydrophobicContact CE2-CD1 3.89Å; F262-F264 AromaticContact CE2-CE1 3.6Å; F262-F264 HydrophobicContact CE2-CE1 3.6Å; F262-F264 HydrophobicContact CE2-CZ 4.45Å; F262-V282 CarbonylContact O-C 3.53Å; F262-G283 PolarHBondContact N-O 2.81Å; F262-G283 PolarHBondContact O-N 2.05Å; F262-V285 HydrophobicContact CE1-CG1 4.29Å; F262-F303 HydrophobicContact CE1-CD2 4.3Å; F262-F303 HydrophobicContact CE1-CE2 4.31Å; F262-F303 HydrophobicContact CE2-CE2 4.02Å; F262-F303 AromaticContact CZ-CD2 3.71Å; F262-F303 HydrophobicContact CZ-CD2 3.71Å; F262-F303 AromaticContact CZ-CE2 3.37Å; F262-F303 HydrophobicContact CZ-CE2 3.37Å; F262-F303 HydrophobicContact CZ-CZ 4.47Å
263	F	98.8	Very high	84.7	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	134.1	-172.1	-63.4	-96.6	0	0	0	109.3	I244 G245 F247 R281 V282 L308 L325 I328 V341	I244-F263 PolarHBondContact N-O 3.33Å; G245-F263 PolarHBondContact N-O 2.9Å; G245-F263 PolarHBondContact O-N 3.04Å; F247-F263 AromaticContact CD2-CD2 3.95Å; F247-F263 HydrophobicContact CD2-CD2 3.95Å; F247-F263 AromaticContact CD2-CE2 3.86Å; F247-F263 HydrophobicContact CD2-CE2 3.86Å; F247-F263 AromaticContact CE2-CD2 3.99Å; F247-F263 HydrophobicContact CE2-CD2 3.99Å; F247-F263 HydrophobicContact CE2-CE2 4.19Å; F263-R281 WeakPolarHBondContact CA-O 3.37Å; F263-V282 HydrophobicContact CD1-CB 3.93Å; F263-V282 HydrophobicContact CD1-CG2 4.01Å; F263-V282 HydrophobicContact CE1-CB 3.81Å; F263-V282 HydrophobicContact CE1-CG2 3.62Å; F263-V282 HydrophobicContact CE2-CG2 4.39Å; F263-V282 HydrophobicContact CZ-CG2 3.83Å; F263-L308 HydrophobicContact CD1-CD1 3.73Å; F263-L308 HydrophobicContact CE1-CD1 4.06Å; F263-L325 HydrophobicContact CB-CD2 3.88Å; F263-I328 HydrophobicContact CB-CD1 4.37Å; F263-I328 HydrophobicContact CB-CG1 3.71Å; F263-I328 HydrophobicContact CD1-CD1 3.78Å; F263-I328 HydrophobicContact CD1-CG1 3.99Å; F263-I328 HydrophobicContact CD2-CG1 4.32Å; F263-I328 HydrophobicContact CD2-CG2 4.09Å; F263-I328 HydrophobicContact CE1-CD1 4.25Å; F263-I328 HydrophobicContact CE2-CG2 4.19Å; F263-I328 HydrophobicContact CG-CB 4.5Å; F263-I328 HydrophobicContact CG-CD1 4.1Å; F263-I328 HydrophobicContact CG-CG1 3.76Å; F263-I328 HydrophobicContact CG-CG2 4.33Å; F263-I328 HydrophobicContact CZ-CG2 4.5Å; F263-V341 HydrophobicContact CE1-CG1 3.98Å; F263-V341 HydrophobicContact CZ-CG1 3.91Å
264	F	98.3	Very high	82.8	Confident	0 Å²	0	42 Å²	42	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	166.5	-173.6	63.7	-79.9	0	0	0	110.8	L238 A241 K242 F243 F262 E266 R281 K305	L238-F264 HydrophobicContact CD2-CD2 4.28Å; L238-F264 HydrophobicContact CD2-CE1 4.43Å; L238-F264 HydrophobicContact CD2-CE2 3.58Å; L238-F264 HydrophobicContact CD2-CZ 3.67Å; A241-F264 HydrophobicContact CB-CD2 3.72Å; A241-F264 HydrophobicContact CB-CE2 4.19Å; K242-F264 CarbonylContact O-C 3.54Å; K242-F264 VanDerWaalsContact O-CA 3.24Å; K242-F264 WeakPolarHBondContact O-CA 3.31Å; K242-F264 VanDerWaalsContact O-CB 3.29Å; K242-F264 WeakPolarHBondContact O-CB 3.24Å; F243-F264 HydrophobicContact CD1-CB 3.94Å; F243-F264 HydrophobicContact CD1-CG 4.43Å; F243-F264 HydrophobicContact CG-CB 4.4Å; F262-F264 AromaticContact CD2-CD1 3.66Å; F262-F264 HydrophobicContact CD2-CD1 3.66Å; F262-F264 AromaticContact CD2-CE1 3.83Å; F262-F264 HydrophobicContact CD2-CE1 3.83Å; F262-F264 AromaticContact CE2-CD1 3.89Å; F262-F264 HydrophobicContact CE2-CD1 3.89Å; F262-F264 AromaticContact CE2-CE1 3.6Å; F262-F264 HydrophobicContact CE2-CE1 3.6Å; F262-F264 HydrophobicContact CE2-CZ 4.45Å; F264-E266 HydrophobicContact CD2-CB 4.28Å; F264-E266 HydrophobicContact CE2-CB 4.22Å; F264-E266 HydrophobicContact CE2-CG 4.17Å; F264-R281 HydrophobicContact CD1-CB 4.06Å; F264-R281 HydrophobicContact CD2-CB 4.08Å; F264-R281 HydrophobicContact CD2-CG 4.45Å; F264-R281 HydrophobicContact CE1-CB 3.69Å; F264-R281 HydrophobicContact CE2-CB 3.72Å; F264-R281 HydrophobicContact CE2-CG 3.9Å; F264-R281 HydrophobicContact CG-CB 4.25Å; F264-R281 HydrophobicContact CZ-CB 3.51Å; F264-R281 HydrophobicContact CZ-CG 4.01Å; F264-R281 PolarHBondContact N-O 2.91Å; F264-R281 PolarHBondContact O-N 2.8Å; F264-R281 VanDerWaalsContact O-O 3.14Å; F264-K305 HydrophobicContact CZ-CB 4.25Å; F264-K305 HydrophobicContact CZ-CD 3.91Å
265	R	96.5	Very high	81	Confident	24 Å²	24	46 Å²	46	9%	0.091	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	145.7	167.1	58.4	-177	165.8	167.5	-10.6	110	A241 K242 I278 L279 E324 L325	A241-R265 CarbonylContact C-O 3.59Å; A241-R265 WeakPolarHBondContact CA-O 3.4Å; K242-R265 HydrophobicContact CB-CG 3.88Å; K242-R265 PolarHBondContact N-O 2.78Å; K242-R265 PolarHBondContact O-N 3.05Å; R265-I278 HydrophobicContact CB-CG2 4.03Å; R265-L279 CarbonylContact C-O 3.47Å; R265-L279 WeakPolarHBondContact CA-O 3.17Å; R265-E324 IonicContact CZ-OE2 3.97Å; R265-E324 VanDerWaalsContact NH1-CD 3.35Å; R265-E324 IonicContact NH1-OE2 3.87Å; R265-E324 PolarHBondContact NH1-OE2 2.87Å; R265-L325 WeakPolarHBondContact CD-O 3.32Å; R265-L325 PolarHBondContact NE-O 2.94Å
266	E	93.4	Very high	79.8	Confident	8 Å²	8	50.9 Å²	50.9	4%	0.037	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	161.2	-178.3	64.8	177.5	172.8	0	0	110.5	N239 A241 F264 L279 R281 K305	N239-E266 PolarHBondContact N-OE2 2.86Å; N239-E266 WeakPolarHBondContact O-CB 3.05Å; A241-E266 HydrophobicContact CB-CB 4.45Å; F264-E266 HydrophobicContact CD2-CB 4.28Å; F264-E266 HydrophobicContact CE2-CB 4.22Å; F264-E266 HydrophobicContact CE2-CG 4.17Å; E266-L279 PolarHBondContact N-O 2.82Å; E266-L279 PolarHBondContact O-N 3.36Å; E266-R281 HydrophobicContact CG-CG 4.01Å; E266-R281 WeakPolarHBondContact OE1-CG 3.21Å; E266-R281 IonicContact OE1-CZ 3.48Å; E266-R281 IonicContact OE1-NE 2.65Å; E266-R281 PolarHBondContact OE1-NE 2.98Å; E266-R281 IonicContact OE1-NH2 3.52Å; E266-K305 WeakPolarHBondContact OE1-CE 3.35Å; E266-K305 IonicContact OE1-NZ 3.01Å; E266-K305 PolarHBondContact OE1-NZ 3.29Å; E266-K305 IonicContact OE2-NZ 3.74Å; E266-K305 PolarHBondContact OE2-NZ 3.17Å
267	S	89.5	Confident	79.5	Confident	37 Å²	37	51.1 Å²	51.1	26%	0.259	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	131.4	171.2	-64.3	0	0	0	0	110	N239	N239-S267 PolarHBondContact ND2-O 3.35Å; N239-S267 PolarHBondContact O-N 2.79Å
268	S	82.6	Confident	79.5	Confident	20 Å²	20	52.5 Å²	52.5	14%	0.14	31%	0.305	C	S	.	.			trans	-61.3	152.2	168.3	-169.1	0	0	0	0	110.4	E270 T277	S268-E270 PolarHBondContact OG-N 3.4Å; S268-E270 VanDerWaalsContact OG-N 3.11Å; S268-T277 VanDerWaalsContact CB-O 3.25Å; S268-T277 WeakPolarHBondContact CB-O 3.45Å; S268-T277 WeakPolarHBondContact CB-OG1 3.1Å; S268-T277 PolarHBondContact N-O 3.31Å; S268-T277 PolarHBondContact OG-OG1 3.01Å
269	Q	68.7	Low	79.5	Confident	60 Å²	60	51.5 Å²	51.5	28%	0.28	30%	0.299	S	S	.	.	S	Bend	trans	-97.6	0.6	172.1	-60.6	177.7	2	0	0	111.8	H235 Y236	H235-Q269 PolarHBondContact O-NE2 2.68Å; Y236-Q269 VanDerWaalsContact CD1-OE1 3.27Å
270	E	63.4	Low	79.5	Confident	103 Å²	103	51.1 Å²	51.1	48%	0.481	30%	0.298	S	S	.	.			trans	-97.8	89.1	179.2	-68.2	-178.2	155.3	0	0	108.9	S268 W383	S268-E270 PolarHBondContact OG-N 3.4Å; S268-E270 VanDerWaalsContact OG-N 3.11Å; E270-W383 VanDerWaalsContact OE1-CD1 3.3Å
271	G	51	Low	79.5	Confident	57 Å²	57	52.1 Å²	52.1	59%	0.588	30%	0.301	S	S	*	.			trans	-178.1	133.8	172.8	0	0	0	0	0	112.3
272	S	46.4	Very low	79.5	Confident	94 Å²	94	52.1 Å²	52.1	66%	0.657	30%	0.301	S	S	*	.			trans	-58.6	160.7	157	51.4	0	0	0	0	109.4	S274 D275	S272-S274 PolarHBondContact O-N 2.82Å; S272-D275 PolarHBondContact O-N 2.9Å
273	T	48.6	Very low	79.5	Confident	161 Å²	161	52.1 Å²	52.1	99%	0.988	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	0.9	-170	44.8	0	0	0	0	117.9
274	S	48.7	Very low	79.4	Confident	91 Å²	91	52.6 Å²	52.6	64%	0.636	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	-26.8	-175.4	54.2	0	0	0	0	116	S272	S272-S274 PolarHBondContact O-N 2.82Å
275	D	54.3	Low	79.4	Confident	120 Å²	120	52.6 Å²	52.6	64%	0.642	30%	0.303	S	S	*	.			trans	-132.5	102.4	-178.1	-80.3	-39.5	0	0	0	112.5	S272 T277	S272-D275 PolarHBondContact O-N 2.9Å; D275-T277 PolarHBondContact O-N 2.86Å; D275-T277 VanDerWaalsContact O-N 3.13Å
276	K	66	Low	79.4	Confident	187 Å²	187	51.5 Å²	51.5	81%	0.813	30%	0.299	S	S	*	.			trans	-76.6	95	170.5	-67.2	-177.3	-177.9	177.4	0	108.9
277	T	83.9	Confident	79.5	Confident	62 Å²	62	52.8 Å²	52.8	38%	0.38	30%	0.304	S	S	.	.			trans	-70.7	134.4	172.8	51.8	0	0	0	0	109.8	S268 D275	S268-T277 VanDerWaalsContact CB-O 3.25Å; S268-T277 WeakPolarHBondContact CB-O 3.45Å; S268-T277 WeakPolarHBondContact CB-OG1 3.1Å; S268-T277 PolarHBondContact N-O 3.31Å; S268-T277 PolarHBondContact OG-OG1 3.01Å; D275-T277 PolarHBondContact O-N 2.86Å; D275-T277 VanDerWaalsContact O-N 3.13Å
278	I	91.9	Very high	79.8	Confident	36 Å²	36	53.3 Å²	53.3	19%	0.185	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	143.3	175.4	-65.2	168.6	0	0	0	107.5	R265 D323 E324 T348	R265-I278 HydrophobicContact CB-CG2 4.03Å; I278-D323 WeakPolarHBondContact O-CB 3.32Å; I278-E324 HydrophobicContact CB-CG 4.48Å; I278-E324 HydrophobicContact CD1-CG 4.08Å; I278-E324 VanDerWaalsContact CD1-OE1 3.29Å; I278-E324 WeakPolarHBondContact CD1-OE1 3.47Å; I278-E324 HydrophobicContact CG2-CG 4.16Å; I278-T348 HydrophobicContact CB-CG2 4.1Å; I278-T348 HydrophobicContact CD1-CG2 4.41Å
279	L	93.9	Very high	80.4	Confident	13 Å²	13	52.3 Å²	52.3	7%	0.068	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	138.3	176.6	-60.1	175.7	0	0	0	110.2	R265 E266	R265-L279 CarbonylContact C-O 3.47Å; R265-L279 WeakPolarHBondContact CA-O 3.17Å; E266-L279 PolarHBondContact N-O 2.82Å; E266-L279 PolarHBondContact O-N 3.36Å
280	S	97.8	Very high	81.7	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	138.5	170	-69.9	0	0	0	0	111.5	L308 D323 L325	S280-L308 PolarHBondContact O-N 3.03Å; S280-D323 PolarHBondContact N-O 2.89Å; S280-D323 PolarHBondContact OG-O 3Å; S280-L325 VanDerWaalsContact OG-CB 3.24Å; S280-L325 WeakPolarHBondContact OG-CB 3.32Å; S280-L325 PolarHBondContact OG-N 2.84Å
281	R	97.8	Very high	83.2	Confident	22 Å²	22	45.8 Å²	45.8	8%	0.083	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	149	-171.5	-62.3	-65.9	-167.9	-177.8	-6.2	112	F263 F264 E266 A306	F263-R281 WeakPolarHBondContact CA-O 3.37Å; F264-R281 HydrophobicContact CD1-CB 4.06Å; F264-R281 HydrophobicContact CD2-CB 4.08Å; F264-R281 HydrophobicContact CD2-CG 4.45Å; F264-R281 HydrophobicContact CE1-CB 3.69Å; F264-R281 HydrophobicContact CE2-CB 3.72Å; F264-R281 HydrophobicContact CE2-CG 3.9Å; F264-R281 HydrophobicContact CG-CB 4.25Å; F264-R281 HydrophobicContact CZ-CB 3.51Å; F264-R281 HydrophobicContact CZ-CG 4.01Å; F264-R281 PolarHBondContact N-O 2.91Å; F264-R281 PolarHBondContact O-N 2.8Å; F264-R281 VanDerWaalsContact O-O 3.14Å; E266-R281 HydrophobicContact CG-CG 4.01Å; E266-R281 WeakPolarHBondContact OE1-CG 3.21Å; E266-R281 IonicContact OE1-CZ 3.48Å; E266-R281 IonicContact OE1-NE 2.65Å; E266-R281 PolarHBondContact OE1-NE 2.98Å; E266-R281 IonicContact OE1-NH2 3.52Å; R281-A306 VanDerWaalsContact CA-O 3.27Å; R281-A306 WeakPolarHBondContact CA-O 3.3Å; R281-A306 VanDerWaalsContact CD-O 3.3Å; R281-A306 WeakPolarHBondContact CD-O 3.42Å
282	V	98.7	Very high	85.3	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	131	158.6	58.7	0	0	0	0	108.3	Y261 F262 F263 K305 A306 L308 I365 F369 I431	Y261-V282 HydrophobicContact CD1-CG2 4.08Å; F262-V282 CarbonylContact O-C 3.53Å; F263-V282 HydrophobicContact CD1-CB 3.93Å; F263-V282 HydrophobicContact CD1-CG2 4.01Å; F263-V282 HydrophobicContact CE1-CB 3.81Å; F263-V282 HydrophobicContact CE1-CG2 3.62Å; F263-V282 HydrophobicContact CE2-CG2 4.39Å; F263-V282 HydrophobicContact CZ-CG2 3.83Å; V282-K305 CarbonylContact O-C 3.52Å; V282-K305 VanDerWaalsContact O-CA 3.25Å; V282-K305 WeakPolarHBondContact O-CA 3.39Å; V282-A306 HydrophobicContact CG1-CB 4.4Å; V282-A306 PolarHBondContact N-O 2.99Å; V282-A306 PolarHBondContact O-N 2.78Å; V282-L308 HydrophobicContact CB-CD1 4.15Å; V282-L308 HydrophobicContact CB-CG 4.43Å; V282-L308 HydrophobicContact CG1-CD2 4.48Å; V282-L308 HydrophobicContact CG1-CG 4.3Å; V282-I365 HydrophobicContact CG1-CG2 4.37Å; V282-F369 HydrophobicContact CG1-CE2 4.17Å; V282-F369 HydrophobicContact CG1-CZ 4.05Å; V282-F369 HydrophobicContact CG2-CE2 4.48Å; V282-F369 HydrophobicContact CG2-CZ 4.47Å; V282-I431 HydrophobicContact CG1-CD1 3.97Å
283	G	98.3	Very high	87.5	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	155	171.8	0	0	0	0	0	110.9	Y261 F262 L304	Y261-G283 CarbonylContact C-O 3.54Å; Y261-G283 WeakPolarHBondContact CA-O 3.25Å; F262-G283 PolarHBondContact N-O 2.81Å; F262-G283 PolarHBondContact O-N 2.05Å; G283-L304 CarbonylContact C-O 3.53Å; G283-L304 WeakPolarHBondContact CA-O 3.39Å
284	R	98.1	Very high	89.6	Confident	10 Å²	10	45.8 Å²	45.8	4%	0.038	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	150.7	171.8	74.7	178.7	-169.3	173.6	-0.3	112.3	D251 I260 Y261 F303 L304 F369	D251-R284 IonicContact OD2-NH1 3.74Å; D251-R284 PolarHBondContact OD2-NH1 3.45Å; I260-R284 VanDerWaalsContact O-CA 3.28Å; I260-R284 WeakPolarHBondContact O-CA 3.32Å; Y261-R284 HydrophobicContact CD1-CB 3.82Å; Y261-R284 HydrophobicContact CE1-CB 3.79Å; Y261-R284 HydrophobicContact CE1-CG 4.45Å; Y261-R284 HydrophobicContact CG-CB 4.32Å; R284-F303 WeakPolarHBondContact O-CA 3.25Å; R284-L304 PolarHBondContact N-O 2.98Å; R284-L304 PolarHBondContact O-N 2.82Å; R284-L304 VanDerWaalsContact O-N 3.16Å; R284-F369 HydrophobicContact CB-CE2 4.41Å; R284-F369 HydrophobicContact CB-CZ 4.25Å; R284-F369 HydrophobicContact CG-CD1 4.18Å; R284-F369 HydrophobicContact CG-CD2 4.38Å; R284-F369 HydrophobicContact CG-CE1 3.96Å; R284-F369 HydrophobicContact CG-CE2 4.16Å; R284-F369 HydrophobicContact CG-CG 4.39Å; R284-F369 HydrophobicContact CG-CZ 3.95Å
285	V	98.3	Very high	91.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	153.3	170.4	-67.2	0	0	0	0	110.1	F215 K259 I260 F262 W300 F303	F215-V285 HydrophobicContact CE1-CG2 3.94Å; K259-V285 CarbonylContact C-O 3.56Å; K259-V285 VanDerWaalsContact CA-O 3.24Å; K259-V285 WeakPolarHBondContact CA-O 3.23Å; K259-V285 WeakPolarHBondContact CB-O 3.39Å; I260-V285 HydrophobicContact CB-CG2 3.98Å; I260-V285 PolarHBondContact N-O 2.86Å; I260-V285 PolarHBondContact O-N 3.39Å; F262-V285 HydrophobicContact CE1-CG1 4.29Å; V285-W300 HydrophobicContact CB-CD2 4.15Å; V285-W300 HydrophobicContact CB-CE3 3.89Å; V285-W300 HydrophobicContact CB-CZ3 4.17Å; V285-W300 HydrophobicContact CG1-CB 4.21Å; V285-W300 HydrophobicContact CG1-CD2 3.71Å; V285-W300 HydrophobicContact CG1-CE3 3.95Å; V285-W300 HydrophobicContact CG1-CG 3.82Å; V285-W300 HydrophobicContact CG2-CD2 4.47Å; V285-W300 HydrophobicContact CG2-CE3 4.27Å; V285-W300 HydrophobicContact CG2-CH2 4.17Å; V285-W300 HydrophobicContact CG2-CZ2 4.35Å; V285-W300 HydrophobicContact CG2-CZ3 4.12Å; V285-F303 HydrophobicContact CG1-CB 3.91Å; V285-F303 HydrophobicContact CG1-CD2 4.16Å
286	C	97.1	Very high	93.5	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.007	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	137	173	-66.6	0	0	0	0	111.2	N288 D289 T302 C398	C286-N288 VanDerWaalsContact C-N 3.26Å; C286-N288 PolarHBondContact O-N 2.86Å; C286-D289 HydrophobicContact CB-CB 4.32Å; C286-D289 WeakPolarHBondContact O-CB 3.27Å; C286-D289 PolarHBondContact O-N 2.89Å; C286-T302 HydrophobicContact CB-CG2 3.92Å; C286-T302 PolarHBondContact N-OG1 2.79Å; C286-C398 HydrophobicContact CB-CB 3.71Å; C286-C398 WeakPolarHBondContact CB-SG 3.33Å; C286-C398 WeakPolarHBondContact SG-CA 3.25Å; C286-C398 WeakPolarHBondContact SG-CB 3.22Å; C286-C398 PolarHBondContact SG-N 3.23Å; C286-C398 VanDerWaalsContact SG-N 3.37Å; C286-C398 CovalentContact SG-SG 2.03Å; C286-C398 PolarHBondContact SG-SG 3.17Å
287	K	95.5	Very high	94.8	Very high	34 Å²	34	34.2 Å²	34.2	15%	0.148	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-35.1	-179.3	-166.6	-174.2	-169.6	-176.7	0	112	T196 D197 Y201 R217 D258	T196-K287 WeakPolarHBondContact OG1-CE 3.26Å; T196-K287 PolarHBondContact OG1-NZ 3.28Å; D197-K287 VanDerWaalsContact CG-CE 3.43Å; D197-K287 IonicContact OD1-NZ 2.95Å; D197-K287 PolarHBondContact OD1-NZ 2.86Å; D197-K287 WeakPolarHBondContact OD2-CE 3.45Å; D197-K287 IonicContact OD2-NZ 3.9Å; D197-K287 PolarHBondContact OD2-NZ 2.82Å; Y201-K287 WeakPolarHBondContact OH-CG 3.44Å; Y201-K287 PolarHBondContact OH-O 3.48Å; R217-K287 PolarHBondContact NH1-O 3.15Å; D258-K287 HydrophobicContact CB-CB 4.03Å; D258-K287 HydrophobicContact CB-CD 3.94Å; D258-K287 WeakPolarHBondContact O-CB 3.13Å; D258-K287 PolarHBondContact O-N 2.94Å
288	N	94.1	Very high	95.3	Very high	48 Å²	48	35.1 Å²	35.1	26%	0.257	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	12.7	179.7	67.5	-8.5	0	0	0	114.4	D256 C286 V290 P399	D256-N288 PolarHBondContact O-ND2 3.3Å; C286-N288 VanDerWaalsContact C-N 3.26Å; C286-N288 PolarHBondContact O-N 2.86Å; N288-V290 PolarHBondContact O-N 2.84Å; N288-P399 PolarHBondContact ND2-O 3.45Å; N288-P399 WeakPolarHBondContact OD1-CD 3.46Å
289	D	96.1	Very high	95.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.174	C	C	.	.			trans	-65.4	132	173.7	-169.2	-21.5	0	0	0	109.6	R217 I228 C286 G291 W300 T301 T302 T410	R217-D289 VanDerWaalsContact CZ-O 3.24Å; R217-D289 PolarHBondContact NH1-O 3.28Å; R217-D289 PolarHBondContact NH2-O 2.72Å; I228-D289 WeakPolarHBondContact CD1-O 3.42Å; C286-D289 HydrophobicContact CB-CB 4.32Å; C286-D289 WeakPolarHBondContact O-CB 3.27Å; C286-D289 PolarHBondContact O-N 2.89Å; D289-G291 PolarHBondContact OD1-N 2.94Å; D289-W300 HydrophobicContact CB-CE3 3.87Å; D289-W300 HydrophobicContact CB-CZ3 3.9Å; D289-T301 VanDerWaalsContact CG-OG1 3.27Å; D289-T301 PolarHBondContact OD1-N 3.5Å; D289-T301 PolarHBondContact OD1-OG1 2.88Å; D289-T301 PolarHBondContact OD2-N 3Å; D289-T301 PolarHBondContact OD2-OG1 2.78Å; D289-T302 HydrophobicContact CB-CG2 4.38Å; D289-T302 WeakPolarHBondContact OD2-CB 3.41Å; D289-T302 WeakPolarHBondContact OD2-CG2 3.26Å; D289-T302 PolarHBondContact OD2-N 3.26Å; D289-T302 PolarHBondContact OD2-OG1 2.82Å; D289-T410 HydrophobicContact CB-CG2 4.12Å; D289-T410 PolarHBondContact OD1-OG1 3.16Å
290	V	94.9	Very high	95.6	Very high	26 Å²	26	35.6 Å²	35.6	16%	0.158	17%	0.17	C	C	.	.			trans	-122.2	14.4	-179.8	-64.7	0	0	0	0	112.5	N288 S409 T410 R411	N288-V290 PolarHBondContact O-N 2.84Å; V290-S409 WeakPolarHBondContact CG2-OG 3.23Å; V290-T410 VanDerWaalsContact CG2-OG1 3.26Å; V290-T410 WeakPolarHBondContact CG2-OG1 3.49Å; V290-T410 PolarHBondContact N-OG1 3.43Å; V290-R411 HydrophobicContact CG2-CG 4.12Å
291	G	95.4	Very high	95.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.171	C	C	.	.			trans	79.8	178.1	-173.9	0	0	0	0	0	113.4	D289 K299 T301 T410	D289-G291 PolarHBondContact OD1-N 2.94Å; G291-K299 VanDerWaalsContact CA-O 3.28Å; G291-K299 WeakPolarHBondContact CA-O 3.43Å; G291-T301 VanDerWaalsContact C-CG2 3.44Å; G291-T410 PolarHBondContact N-OG1 3.34Å; G291-T410 PolarHBondContact O-OG1 2.97Å
292	G	94.8	Very high	95.5	Very high	4 Å²	4	34.7 Å²	34.7	4%	0.041	17%	0.167	C	C	.	.			trans	-90.2	160.6	179.9	0	0	0	0	0	113	S295 L296	G292-S295 CarbonylContact C-O 3.55Å; G292-S295 VanDerWaalsContact CA-O 3.23Å; G292-S295 WeakPolarHBondContact CA-O 3.09Å; G292-L296 PolarHBondContact N-O 2.95Å
293	Q	93.4	Very high	95.5	Very high	117 Å²	117	34.7 Å²	34.7	55%	0.547	17%	0.167	S	C	.	.	S	Bend	trans	-74.1	-40	-176.2	-178.9	63.4	16.6	0	0	113.5	R411	Q293-R411 HydrophobicContact CB-CB 4.2Å; Q293-R411 WeakPolarHBondContact CB-O 3.5Å
294	R	91.7	Very high	95.5	Very high	190 Å²	190	34.7 Å²	34.7	72%	0.717	17%	0.167	S	C	*	.	S	Bend	trans	-124.2	-47.3	-176.1	-62.7	177.6	-179.3	168.9	-1.6	112.3	I297 D415	R294-I297 WeakPolarHBondContact O-CD1 3.33Å; R294-D415 IonicContact NH1-OD2 3.39Å
295	S	91.9	Very high	95.4	Very high	50 Å²	50	34.4 Å²	34.4	35%	0.35	17%	0.166	S	C	.	.	S	Bend	trans	-101.5	157	170.4	-176.1	0	0	0	0	109.4	G292 I297	G292-S295 CarbonylContact C-O 3.55Å; G292-S295 VanDerWaalsContact CA-O 3.23Å; G292-S295 WeakPolarHBondContact CA-O 3.09Å; S295-I297 PolarHBondContact O-N 3.41Å
296	L	93.3	Very high	95.4	Very high	8 Å²	8	34.4 Å²	34.4	4%	0.042	17%	0.166	C	C	.	.	S	Bend	trans	53.7	35.9	-176.7	-58.6	-177.8	0	0	0	114	W237 G292 N298 K299 T301 I418 I421 K422	W237-L296 HydrophobicContact CH2-CD1 4.3Å; W237-L296 HydrophobicContact CH2-CD2 4.18Å; W237-L296 HydrophobicContact CZ2-CD1 4.36Å; W237-L296 HydrophobicContact CZ2-CD2 4.18Å; G292-L296 PolarHBondContact N-O 2.95Å; L296-N298 PolarHBondContact O-N 2.62Å; L296-K299 HydrophobicContact CB-CB 4.01Å; L296-K299 HydrophobicContact CD2-CB 4.09Å; L296-K299 HydrophobicContact CD2-CD 3.86Å; L296-K299 PolarHBondContact O-N 2.98Å; L296-K299 VanDerWaalsContact O-O 3.11Å; L296-T301 HydrophobicContact CB-CG2 4.08Å; L296-T301 HydrophobicContact CD1-CG2 4.32Å; L296-I418 HydrophobicContact CB-CG2 4.41Å; L296-I418 HydrophobicContact CD1-CG2 3.97Å; L296-I418 HydrophobicContact CG-CG2 4.06Å; L296-I421 HydrophobicContact CD1-CG2 4.07Å; L296-K422 HydrophobicContact CD1-CB 4.47Å; L296-K422 HydrophobicContact CD2-CD 4.46Å; L296-K422 HydrophobicContact CD2-CG 4.37Å
297	I	94.2	Very high	95.4	Very high	98 Å²	98	37 Å²	37	50%	0.503	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	128.3	171.9	-61.2	166.4	0	0	0	108.7	R294 S295 K299	R294-I297 WeakPolarHBondContact O-CD1 3.33Å; S295-I297 PolarHBondContact O-N 3.41Å; I297-K299 PolarHBondContact O-N 3.37Å; I297-K299 VanDerWaalsContact O-N 3.16Å
298	N	93.6	Very high	95.5	Very high	81 Å²	81	35.4 Å²	35.4	43%	0.433	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	25	-174.7	-56.8	-27.8	0	0	0	113.7	Y227 I228 R229 L296	Y227-N298 WeakPolarHBondContact O-CB 3.34Å; I228-N298 WeakPolarHBondContact CA-O 3.23Å; R229-N298 PolarHBondContact N-O 3.04Å; R229-N298 VanDerWaalsContact N-O 3.12Å; L296-N298 PolarHBondContact O-N 2.62Å
299	K	95.8	Very high	95.7	Very high	59 Å²	59	33.2 Å²	33.2	26%	0.257	16%	0.157	S	C	.	.	B	Isolated β-bridge	trans	-125.1	149.9	175	-62.5	176.6	-176.3	176.2	0	110.4	R229 D231 G291 L296 I297 T301	R229-K299 WeakPolarHBondContact O-CA 3.46Å; D231-K299 HydrophobicContact CB-CD 3.93Å; D231-K299 WeakPolarHBondContact OD1-CE 3.19Å; D231-K299 IonicContact OD1-NZ 3.48Å; D231-K299 PolarHBondContact OD1-NZ 3.49Å; D231-K299 IonicContact OD2-NZ 2.89Å; D231-K299 PolarHBondContact OD2-NZ 2.7Å; G291-K299 VanDerWaalsContact CA-O 3.28Å; G291-K299 WeakPolarHBondContact CA-O 3.43Å; L296-K299 HydrophobicContact CB-CB 4.01Å; L296-K299 HydrophobicContact CD2-CB 4.09Å; L296-K299 HydrophobicContact CD2-CD 3.86Å; L296-K299 PolarHBondContact O-N 2.98Å; L296-K299 VanDerWaalsContact O-O 3.11Å; I297-K299 PolarHBondContact O-N 3.37Å; I297-K299 VanDerWaalsContact O-N 3.16Å; K299-T301 PolarHBondContact O-N 3.23Å
300	W	97.1	Very high	95.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.157	C	C	.	.			trans	-58.1	130.2	179.4	-62.1	114.6	0	0	0	111.3	Y201 F215 R217 I228 R229 W237 V285 D289 F303	Y201-W300 HydrophobicContact CD1-CH2 4.26Å; Y201-W300 HydrophobicContact CD1-CZ2 4.47Å; Y201-W300 AromaticContact CE1-CH2 3.82Å; Y201-W300 HydrophobicContact CE1-CH2 3.82Å; Y201-W300 HydrophobicContact CE1-CZ2 4.47Å; F215-W300 HydrophobicContact CD1-CZ2 4.33Å; F215-W300 AromaticContact CD1-NE1 3.93Å; F215-W300 HydrophobicContact CE1-CZ2 4.39Å; F215-W300 PolarHBondContact O-NE1 3.16Å; R217-W300 HydrophobicContact CB-CH2 3.52Å; R217-W300 HydrophobicContact CB-CZ2 3.7Å; R217-W300 HydrophobicContact CG-CH2 4.5Å; I228-W300 HydrophobicContact CB-CD2 4.39Å; I228-W300 HydrophobicContact CB-CE3 4.42Å; I228-W300 HydrophobicContact CB-CH2 4.14Å; I228-W300 HydrophobicContact CB-CZ2 4.12Å; I228-W300 HydrophobicContact CB-CZ3 4.3Å; I228-W300 HydrophobicContact CD1-CZ3 4.2Å; I228-W300 HydrophobicContact CG2-CB 4.5Å; I228-W300 HydrophobicContact CG2-CD2 3.4Å; I228-W300 HydrophobicContact CG2-CE3 3.58Å; I228-W300 HydrophobicContact CG2-CG 3.85Å; I228-W300 HydrophobicContact CG2-CH2 4.14Å; I228-W300 HydrophobicContact CG2-CZ2 4.01Å; I228-W300 HydrophobicContact CG2-CZ3 3.94Å; R229-W300 PolarHBondContact O-N 2.96Å; R229-W300 VanDerWaalsContact O-N 3.15Å; W237-W300 WeakPolarHBondContact CH2-O 3.41Å; W237-W300 HydrophobicContact CZ3-CB 4.2Å; V285-W300 HydrophobicContact CB-CD2 4.15Å; V285-W300 HydrophobicContact CB-CE3 3.89Å; V285-W300 HydrophobicContact CB-CZ3 4.17Å; V285-W300 HydrophobicContact CG1-CB 4.21Å; V285-W300 HydrophobicContact CG1-CD2 3.71Å; V285-W300 HydrophobicContact CG1-CE3 3.95Å; V285-W300 HydrophobicContact CG1-CG 3.82Å; V285-W300 HydrophobicContact CG2-CD2 4.47Å; V285-W300 HydrophobicContact CG2-CE3 4.27Å; V285-W300 HydrophobicContact CG2-CH2 4.17Å; V285-W300 HydrophobicContact CG2-CZ2 4.35Å; V285-W300 HydrophobicContact CG2-CZ3 4.12Å; D289-W300 HydrophobicContact CB-CE3 3.87Å; D289-W300 HydrophobicContact CB-CZ3 3.9Å; W300-F303 HydrophobicContact CB-CB 3.7Å; W300-F303 HydrophobicContact CG-CB 4.39Å
301	T	96.7	Very high	95.7	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.006	15%	0.151	C	C	.	.	S	Bend	trans	-102.8	-2	173.3	59.7	0	0	0	0	112.4	D289 G291 L296 K299 T410 I418 I421	D289-T301 VanDerWaalsContact CG-OG1 3.27Å; D289-T301 PolarHBondContact OD1-N 3.5Å; D289-T301 PolarHBondContact OD1-OG1 2.88Å; D289-T301 PolarHBondContact OD2-N 3Å; D289-T301 PolarHBondContact OD2-OG1 2.78Å; G291-T301 VanDerWaalsContact C-CG2 3.44Å; L296-T301 HydrophobicContact CB-CG2 4.08Å; L296-T301 HydrophobicContact CD1-CG2 4.32Å; K299-T301 PolarHBondContact O-N 3.23Å; T301-T410 VanDerWaalsContact OG1-CB 3.25Å; T301-T410 WeakPolarHBondContact OG1-CB 3.35Å; T301-T410 WeakPolarHBondContact OG1-CG2 3.18Å; T301-I418 HydrophobicContact CG2-CD1 3.63Å; T301-I421 WeakPolarHBondContact O-CD1 3.5Å
302	T	97.3	Very high	95.5	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.006	16%	0.162	C	C	.	.	S	Bend	trans	-122.3	6.2	-177.1	59.3	0	0	0	0	113.5	C286 D289 L304 T410 F413	C286-T302 HydrophobicContact CB-CG2 3.92Å; C286-T302 PolarHBondContact N-OG1 2.79Å; D289-T302 HydrophobicContact CB-CG2 4.38Å; D289-T302 WeakPolarHBondContact OD2-CB 3.41Å; D289-T302 WeakPolarHBondContact OD2-CG2 3.26Å; D289-T302 PolarHBondContact OD2-N 3.26Å; D289-T302 PolarHBondContact OD2-OG1 2.82Å; T302-L304 PolarHBondContact O-N 3.43Å; T302-T410 HydrophobicContact CG2-CG2 4.27Å; T302-F413 HydrophobicContact CG2-CE2 4.2Å
303	F	97.8	Very high	95	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.188	C	C	.	.			trans	-68.9	122	-177.8	171	-114.9	0	0	0	112.5	W237 L238 F262 R284 V285 W300 K305	W237-F303 HydrophobicContact CB-CE1 3.98Å; W237-F303 AromaticContact CD2-CD1 3.79Å; W237-F303 HydrophobicContact CD2-CD1 3.79Å; W237-F303 HydrophobicContact CD2-CE1 4.11Å; W237-F303 AromaticContact CE3-CD1 3.42Å; W237-F303 HydrophobicContact CE3-CD1 3.42Å; W237-F303 VanDerWaalsContact CE3-CD1 3.42Å; W237-F303 AromaticContact CE3-CE1 3.97Å; W237-F303 HydrophobicContact CE3-CE1 3.97Å; W237-F303 HydrophobicContact CE3-CG 4.24Å; W237-F303 HydrophobicContact CG-CD1 4.28Å; W237-F303 HydrophobicContact CG-CE1 4.13Å; W237-F303 HydrophobicContact CZ3-CB 4.2Å; W237-F303 AromaticContact CZ3-CD1 3.95Å; W237-F303 HydrophobicContact CZ3-CD1 3.95Å; W237-F303 HydrophobicContact CZ3-CG 4.42Å; L238-F303 HydrophobicContact CD2-CZ 4.29Å; F262-F303 HydrophobicContact CE1-CD2 4.3Å; F262-F303 HydrophobicContact CE1-CE2 4.31Å; F262-F303 HydrophobicContact CE2-CE2 4.02Å; F262-F303 AromaticContact CZ-CD2 3.71Å; F262-F303 HydrophobicContact CZ-CD2 3.71Å; F262-F303 AromaticContact CZ-CE2 3.37Å; F262-F303 HydrophobicContact CZ-CE2 3.37Å; F262-F303 HydrophobicContact CZ-CZ 4.47Å; R284-F303 WeakPolarHBondContact O-CA 3.25Å; V285-F303 HydrophobicContact CG1-CB 3.91Å; V285-F303 HydrophobicContact CG1-CD2 4.16Å; W300-F303 HydrophobicContact CB-CB 3.7Å; W300-F303 HydrophobicContact CG-CB 4.39Å; F303-K305 HydrophobicContact CE2-CB 4.33Å; F303-K305 HydrophobicContact CZ-CB 4.11Å; F303-K305 HydrophobicContact CZ-CD 4.21Å; F303-K305 HydrophobicContact CZ-CG 4.32Å
304	L	97.9	Very high	94.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	151.7	169.7	-64.2	176.4	0	0	0	110.4	G283 R284 T302 F369 Y373 I421 S425 M427	G283-L304 CarbonylContact C-O 3.53Å; G283-L304 WeakPolarHBondContact CA-O 3.39Å; R284-L304 PolarHBondContact N-O 2.98Å; R284-L304 PolarHBondContact O-N 2.82Å; R284-L304 VanDerWaalsContact O-N 3.16Å; T302-L304 PolarHBondContact O-N 3.43Å; L304-F369 HydrophobicContact CB-CD1 3.83Å; L304-F369 HydrophobicContact CB-CE1 3.85Å; L304-F369 HydrophobicContact CD1-CD1 4.38Å; L304-Y373 HydrophobicContact CD1-CE1 4.21Å; L304-Y373 HydrophobicContact CD2-CD1 4.28Å; L304-Y373 HydrophobicContact CD2-CE1 3.78Å; L304-I421 HydrophobicContact CD2-CD1 4.3Å; L304-I421 HydrophobicContact CD2-CG1 4.23Å; L304-S425 CarbonylContact C-O 3.54Å; L304-S425 WeakPolarHBondContact CA-O 3.45Å; L304-M427 HydrophobicContact CB-SD 4.34Å; L304-M427 HydrophobicContact CD1-SD 4.02Å; L304-M427 HydrophobicContact CD2-SD 4.2Å; L304-M427 HydrophobicContact CG-SD 4.43Å
305	K	97.6	Very high	93.7	Very high	4 Å²	4	31 Å²	31	2%	0.017	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	152.7	172.3	70.1	177	177.6	-173.9	0	113.1	Y236 W237 F264 E266 V282 F303 S425 V426 M427	Y236-K305 VanDerWaalsContact O-CE 3.26Å; Y236-K305 WeakPolarHBondContact O-CE 3.38Å; Y236-K305 PolarHBondContact O-NZ 2.8Å; W237-K305 WeakPolarHBondContact O-CE 3.17Å; W237-K305 PolarHBondContact O-NZ 2.94Å; F264-K305 HydrophobicContact CZ-CB 4.25Å; F264-K305 HydrophobicContact CZ-CD 3.91Å; E266-K305 WeakPolarHBondContact OE1-CE 3.35Å; E266-K305 IonicContact OE1-NZ 3.01Å; E266-K305 PolarHBondContact OE1-NZ 3.29Å; E266-K305 IonicContact OE2-NZ 3.74Å; E266-K305 PolarHBondContact OE2-NZ 3.17Å; V282-K305 CarbonylContact O-C 3.52Å; V282-K305 VanDerWaalsContact O-CA 3.25Å; V282-K305 WeakPolarHBondContact O-CA 3.39Å; F303-K305 HydrophobicContact CE2-CB 4.33Å; F303-K305 HydrophobicContact CZ-CB 4.11Å; F303-K305 HydrophobicContact CZ-CD 4.21Å; F303-K305 HydrophobicContact CZ-CG 4.32Å; K305-S425 PolarHBondContact N-O 3.2Å; K305-V426 HydrophobicContact CD-CG2 4.41Å; K305-V426 VanDerWaalsContact CE-CG2 3.44Å; K305-V426 HydrophobicContact CG-CG2 4.11Å; K305-V426 WeakPolarHBondContact O-CA 3.29Å; K305-M427 WeakPolarHBondContact O-CG 3.18Å; K305-M427 PolarHBondContact O-N 3.02Å
306	A	97.8	Very high	93	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	156	179.4	0	0	0	0	0	111.3	R281 V282 V368 F369 M427 I431	R281-A306 VanDerWaalsContact CA-O 3.27Å; R281-A306 WeakPolarHBondContact CA-O 3.3Å; R281-A306 VanDerWaalsContact CD-O 3.3Å; R281-A306 WeakPolarHBondContact CD-O 3.42Å; V282-A306 HydrophobicContact CG1-CB 4.4Å; V282-A306 PolarHBondContact N-O 2.99Å; V282-A306 PolarHBondContact O-N 2.78Å; A306-V368 HydrophobicContact CB-CG1 3.71Å; A306-F369 HydrophobicContact CB-CE1 4.17Å; A306-F369 HydrophobicContact CB-CZ 4.34Å; A306-M427 HydrophobicContact CB-CB 3.91Å; A306-M427 HydrophobicContact CB-CG 3.95Å; A306-I431 HydrophobicContact CB-CD1 3.29Å
307	R	97.1	Very high	92	Very high	55 Å²	55	38.6 Å²	38.6	21%	0.208	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	133.2	-179.3	-172.5	172.3	178.2	-170.8	-0.1	110.9	I309 D323 I431	R307-I309 HydrophobicContact CG-CD1 3.88Å; R307-I309 HydrophobicContact CG-CG1 4.46Å; R307-I309 VanDerWaalsContact CZ-CD1 3.43Å; R307-D323 IonicContact CZ-OD1 3.59Å; R307-D323 IonicContact NH2-OD1 2.85Å; R307-D323 PolarHBondContact NH2-OD1 2.82Å; R307-D323 IonicContact NH2-OD2 3.11Å; R307-I431 WeakPolarHBondContact O-CD1 3.37Å; R307-I431 PolarHBondContact O-N 3.29Å
308	L	98.1	Very high	91.5	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	130.5	164.6	-73.1	163.2	0	0	0	109	F263 S280 V282 F345 Y360 I431	F263-L308 HydrophobicContact CD1-CD1 3.73Å; F263-L308 HydrophobicContact CE1-CD1 4.06Å; S280-L308 PolarHBondContact O-N 3.03Å; V282-L308 HydrophobicContact CB-CD1 4.15Å; V282-L308 HydrophobicContact CB-CG 4.43Å; V282-L308 HydrophobicContact CG1-CD2 4.48Å; V282-L308 HydrophobicContact CG1-CG 4.3Å; L308-F345 HydrophobicContact CB-CZ 4.48Å; L308-Y360 HydrophobicContact CD2-CD1 3.96Å; L308-Y360 HydrophobicContact CD2-CD2 4.2Å; L308-Y360 HydrophobicContact CD2-CE1 3.83Å; L308-Y360 HydrophobicContact CD2-CE2 4.1Å; L308-Y360 HydrophobicContact CD2-CG 4.12Å; L308-I431 HydrophobicContact CD2-CB 3.95Å; L308-I431 HydrophobicContact CD2-CG2 3.99Å
309	I	97.3	Very high	91.2	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.01	23%	0.233	C	C	.	.			trans	-108.3	124.6	177.4	-59.3	-69.3	0	0	0	108.9	R307 S311 Y321 Y360 I431 Y432 P433	R307-I309 HydrophobicContact CG-CD1 3.88Å; R307-I309 HydrophobicContact CG-CG1 4.46Å; R307-I309 VanDerWaalsContact CZ-CD1 3.43Å; I309-S311 WeakPolarHBondContact CG2-OG 3.13Å; I309-Y321 HydrophobicContact CD1-CE1 4.18Å; I309-Y321 HydrophobicContact CG2-CE1 4.19Å; I309-Y360 PolarHBondContact O-OH 2.86Å; I309-I431 PolarHBondContact N-O 3.16Å; I309-Y432 HydrophobicContact CB-CD1 4.04Å; I309-Y432 HydrophobicContact CB-CE1 4.1Å; I309-Y432 HydrophobicContact CG1-CD1 4.42Å; I309-Y432 HydrophobicContact CG1-CE1 4.11Å; I309-Y432 HydrophobicContact CG2-CD1 3.96Å; I309-Y432 HydrophobicContact CG2-CE1 3.83Å; I309-P433 WeakPolarHBondContact O-CD 3.49Å
310	C	96.9	Very high	90.9	Very high	0 Å²	0	37 Å²	37	0%	0	24%	0.243	C	C	.	.			trans	-126.4	101.5	164	-168.4	0	0	0	0	107.6	F322 F345 C358	C310-F322 HydrophobicContact CB-CB 4.43Å; C310-F322 PolarHBondContact O-N 2.86Å; C310-F345 HydrophobicContact CB-CB 4.24Å; C310-F345 HydrophobicContact CB-CD1 4.07Å; C310-F345 HydrophobicContact CB-CD2 3.66Å; C310-F345 HydrophobicContact CB-CE1 4.34Å; C310-F345 HydrophobicContact CB-CE2 3.99Å; C310-F345 HydrophobicContact CB-CG 3.72Å; C310-F345 HydrophobicContact CB-CZ 4.32Å; C310-C358 WeakPolarHBondContact CA-SG 3.48Å; C310-C358 HydrophobicContact CB-CB 3.82Å; C310-C358 WeakPolarHBondContact CB-SG 3.45Å; C310-C358 WeakPolarHBondContact SG-CB 3.37Å; C310-C358 CovalentContact SG-SG 2.05Å; C310-C358 PolarHBondContact SG-SG 2.99Å
311	S	94.4	Very high	90.6	Very high	5 Å²	5	40.9 Å²	40.9	4%	0.035	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	154.9	-176	62.3	0	0	0	0	112.4	I309 D319 T320 P438	I309-S311 WeakPolarHBondContact CG2-OG 3.13Å; S311-D319 PolarHBondContact OG-OD2 2.67Å; S311-T320 CarbonylContact C-O 3.52Å; S311-T320 WeakPolarHBondContact CA-O 3.38Å; S311-T320 WeakPolarHBondContact CB-O 3.28Å; S311-P438 WeakPolarHBondContact O-CD 3.49Å
312	I	90.6	Very high	90.6	Very high	43 Å²	43	41 Å²	41	22%	0.221	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	123	171	-61.2	167.4	0	0	0	107.4	G314 D319 T320 F322 P438 K441	I312-G314 PolarHBondContact O-N 2.8Å; I312-D319 WeakPolarHBondContact O-CA 3.2Å; I312-T320 PolarHBondContact N-O 2.95Å; I312-T320 PolarHBondContact O-N 2.84Å; I312-F322 HydrophobicContact CD1-CE2 3.74Å; I312-F322 HydrophobicContact CD1-CZ 4.01Å; I312-F322 HydrophobicContact CG1-CE2 4Å; I312-P438 HydrophobicContact CD1-CG 4.4Å; I312-P438 HydrophobicContact CG1-CG 3.82Å; I312-K441 HydrophobicContact CD1-CD 3.7Å
313	P	85.1	Confident	90.4	Very high	91 Å²	91	41.9 Å²	41.9	59%	0.591	26%	0.263	S	S	*	.			trans	-66.3	127.4	176.4	26.3	-32.6	0	0	0	110.6	D319	P313-D319 WeakPolarHBondContact CA-OD1 3.46Å
314	G	79.9	Confident	90.3	Very high	30 Å²	30	43.6 Å²	43.6	31%	0.309	27%	0.272	S	S	.	.			trans	-80.7	154.3	177.1	0	0	0	0	0	112.5	I312 D316 G317 A318	I312-G314 PolarHBondContact O-N 2.8Å; G314-D316 PolarHBondContact O-N 3.27Å; G314-G317 PolarHBondContact O-N 2.67Å; G314-G317 VanDerWaalsContact O-N 3.15Å; G314-A318 VanDerWaalsContact CA-O 3.27Å; G314-A318 WeakPolarHBondContact CA-O 3.5Å; G314-A318 PolarHBondContact N-O 3.28Å
315	S	77.1	Confident	90.4	Very high	121 Å²	121	43.6 Å²	43.6	85%	0.846	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-31.4	174.9	53.9	0	0	0	0	112.9	G317	S315-G317 VanDerWaalsContact C-N 3.27Å; S315-G317 PolarHBondContact O-N 2.94Å
316	D	77	Confident	90.4	Very high	153 Å²	153	45.5 Å²	45.5	82%	0.818	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	10.1	-176.1	-54.4	-11.7	0	0	0	111.8	G314 A318	G314-D316 PolarHBondContact O-N 3.27Å; D316-A318 VanDerWaalsContact C-N 3.29Å; D316-A318 PolarHBondContact O-N 3.39Å
317	G	73	Confident	90.4	Very high	65 Å²	65	46.4 Å²	46.4	67%	0.67	29%	0.285	S	S	*	.	S	Bend	trans	80.7	-0.4	-178.8	0	0	0	0	0	115.1	G314 S315	G314-G317 PolarHBondContact O-N 2.67Å; G314-G317 VanDerWaalsContact O-N 3.15Å; S315-G317 VanDerWaalsContact C-N 3.27Å; S315-G317 PolarHBondContact O-N 2.94Å
318	A	83.1	Confident	90.5	Very high	70 Å²	70	44.2 Å²	44.2	58%	0.579	28%	0.277	S	S	*	.			trans	-93.9	116.3	173.8	0	0	0	0	0	111	G314 D316	G314-A318 VanDerWaalsContact CA-O 3.27Å; G314-A318 WeakPolarHBondContact CA-O 3.5Å; G314-A318 PolarHBondContact N-O 3.28Å; D316-A318 VanDerWaalsContact C-N 3.29Å; D316-A318 PolarHBondContact O-N 3.39Å
319	D	87.2	Confident	90.5	Very high	58 Å²	58	46.7 Å²	46.7	31%	0.31	29%	0.287	S	S	.	.			trans	-72.9	139.5	177.8	-73.4	7.9	0	0	0	111.8	S311 I312 P313 Y321	S311-D319 PolarHBondContact OG-OD2 2.67Å; I312-D319 WeakPolarHBondContact O-CA 3.2Å; P313-D319 WeakPolarHBondContact CA-OD1 3.46Å; D319-Y321 HydrophobicContact CB-CD2 4.15Å; D319-Y321 HydrophobicContact CB-CE2 3.5Å; D319-Y321 WeakPolarHBondContact O-CD2 3.3Å
320	T	89.4	Confident	90.5	Very high	77 Å²	77	48 Å²	48	47%	0.472	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	112.2	169.7	-59.3	0	0	0	0	109.2	S311 I312	S311-T320 CarbonylContact C-O 3.52Å; S311-T320 WeakPolarHBondContact CA-O 3.38Å; S311-T320 WeakPolarHBondContact CB-O 3.28Å; I312-T320 PolarHBondContact N-O 2.95Å; I312-T320 PolarHBondContact O-N 2.84Å
321	Y	92.3	Very high	90.5	Very high	82 Å²	82	48.7 Å²	48.7	32%	0.322	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	139.5	-175.6	-67.2	-93	0	0	0	113	I309 D319 D323	I309-Y321 HydrophobicContact CD1-CE1 4.18Å; I309-Y321 HydrophobicContact CG2-CE1 4.19Å; D319-Y321 HydrophobicContact CB-CD2 4.15Å; D319-Y321 HydrophobicContact CB-CE2 3.5Å; D319-Y321 WeakPolarHBondContact O-CD2 3.3Å; Y321-D323 VanDerWaalsContact CB-OD2 3.27Å; Y321-D323 WeakPolarHBondContact CB-OD2 3.38Å
322	F	95.2	Very high	90.4	Very high	2 Å²	2	53 Å²	53	1%	0.009	33%	0.326	C	S	.	.			trans	-108.1	79.6	166	-57.5	-98.8	0	0	0	107.2	C310 I312 F345 T346 T347 A356	C310-F322 HydrophobicContact CB-CB 4.43Å; C310-F322 PolarHBondContact O-N 2.86Å; I312-F322 HydrophobicContact CD1-CE2 3.74Å; I312-F322 HydrophobicContact CD1-CZ 4.01Å; I312-F322 HydrophobicContact CG1-CE2 4Å; F322-F345 HydrophobicContact CB-CB 3.52Å; F322-F345 WeakPolarHBondContact O-CB 3.35Å; F322-F345 VanDerWaalsContact O-CD1 3.25Å; F322-F345 WeakPolarHBondContact O-CD1 3.26Å; F322-T346 CarbonylContact C-O 3.56Å; F322-T346 WeakPolarHBondContact CA-O 3.27Å; F322-T347 HydrophobicContact CD1-CG2 3.82Å; F322-T347 HydrophobicContact CE1-CG2 3.87Å; F322-A356 HydrophobicContact CB-CB 4.24Å; F322-A356 HydrophobicContact CD1-CB 3.7Å; F322-A356 HydrophobicContact CD2-CB 3.75Å; F322-A356 HydrophobicContact CE1-CB 3.91Å; F322-A356 HydrophobicContact CE2-CB 3.98Å; F322-A356 HydrophobicContact CG-CB 3.63Å; F322-A356 HydrophobicContact CZ-CB 4.05Å
323	D	93.9	Very high	90.6	Very high	20 Å²	20	53.7 Å²	53.7	11%	0.107	33%	0.332	C	S	.	.			trans	-86	-7.1	-171.2	-73.9	-55.6	0	0	0	114.1	I278 S280 R307 Y321 T346 T348	I278-D323 WeakPolarHBondContact O-CB 3.32Å; S280-D323 PolarHBondContact N-O 2.89Å; S280-D323 PolarHBondContact OG-O 3Å; R307-D323 IonicContact CZ-OD1 3.59Å; R307-D323 IonicContact NH2-OD1 2.85Å; R307-D323 PolarHBondContact NH2-OD1 2.82Å; R307-D323 IonicContact NH2-OD2 3.11Å; Y321-D323 VanDerWaalsContact CB-OD2 3.27Å; Y321-D323 WeakPolarHBondContact CB-OD2 3.38Å; D323-T346 PolarHBondContact N-O 3.38Å; D323-T348 HydrophobicContact CB-CG2 4.29Å
324	E	96.1	Very high	90.9	Very high	37 Å²	37	61.8 Å²	61.8	17%	0.173	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	93.8	178.9	-70.7	-162.7	-170	0	0	112.4	R265 I278 Q326 F345 T346 T348	R265-E324 IonicContact CZ-OE2 3.97Å; R265-E324 VanDerWaalsContact NH1-CD 3.35Å; R265-E324 IonicContact NH1-OE2 3.87Å; R265-E324 PolarHBondContact NH1-OE2 2.87Å; I278-E324 HydrophobicContact CB-CG 4.48Å; I278-E324 HydrophobicContact CD1-CG 4.08Å; I278-E324 VanDerWaalsContact CD1-OE1 3.29Å; I278-E324 WeakPolarHBondContact CD1-OE1 3.47Å; I278-E324 HydrophobicContact CG2-CG 4.16Å; E324-Q326 PolarHBondContact O-N 3.46Å; E324-Q326 PolarHBondContact O-NE2 2.89Å; E324-Q326 PolarHBondContact OE2-NE2 3.23Å; E324-F345 CarbonylContact O-C 3.54Å; E324-F345 VanDerWaalsContact O-CA 3.32Å; E324-F345 WeakPolarHBondContact O-CA 3.45Å; E324-T346 WeakPolarHBondContact CB-O 3.32Å; E324-T346 WeakPolarHBondContact CB-OG1 3.4Å; E324-T346 PolarHBondContact N-O 3.01Å; E324-T346 VanDerWaalsContact N-O 3.08Å; E324-T346 PolarHBondContact O-N 2.85Å; E324-T348 HydrophobicContact CG-CG2 3.83Å
325	L	98.3	Very high	91.5	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	127.7	169.7	-177.3	70.5	0	0	0	111.3	I244 F263 R265 S280 D327 I328 F345	I244-L325 HydrophobicContact CB-CD2 4.1Å; I244-L325 HydrophobicContact CB-CG 4.43Å; I244-L325 HydrophobicContact CG1-CD2 3.97Å; I244-L325 HydrophobicContact CG1-CG 4.09Å; I244-L325 HydrophobicContact CG2-CD2 4.29Å; I244-L325 HydrophobicContact CG2-CG 4.25Å; F263-L325 HydrophobicContact CB-CD2 3.88Å; R265-L325 WeakPolarHBondContact CD-O 3.32Å; R265-L325 PolarHBondContact NE-O 2.94Å; S280-L325 VanDerWaalsContact OG-CB 3.24Å; S280-L325 WeakPolarHBondContact OG-CB 3.32Å; S280-L325 PolarHBondContact OG-N 2.84Å; L325-D327 WeakPolarHBondContact CD1-O 3.36Å; L325-I328 HydrophobicContact CD1-CD1 3.58Å; L325-I328 HydrophobicContact CD1-CG1 3.94Å; L325-I328 HydrophobicContact CD2-CD1 4.04Å; L325-I328 HydrophobicContact CD2-CG1 3.88Å; L325-I328 HydrophobicContact CG-CD1 4.4Å; L325-I328 HydrophobicContact CG-CG1 4.34Å; L325-F345 HydrophobicContact CB-CD1 4.1Å; L325-F345 HydrophobicContact CB-CE1 3.96Å; L325-F345 HydrophobicContact CD1-CD1 4.1Å; L325-F345 HydrophobicContact CD1-CD2 4.47Å; L325-F345 HydrophobicContact CD1-CE1 3.63Å; L325-F345 HydrophobicContact CD1-CE2 4.03Å; L325-F345 HydrophobicContact CD1-CG 4.49Å; L325-F345 HydrophobicContact CD1-CZ 3.58Å; L325-F345 HydrophobicContact CG-CE1 4.37Å
326	Q	97.9	Very high	92.1	Very high	43 Å²	43	64.4 Å²	64.4	20%	0.201	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	-39.2	178	-56.6	-56.7	-32.2	0	0	112.7	I244 E324 V344 T346	I244-Q326 VanDerWaalsContact CG2-O 3.31Å; I244-Q326 WeakPolarHBondContact CG2-O 3.02Å; E324-Q326 PolarHBondContact O-N 3.46Å; E324-Q326 PolarHBondContact O-NE2 2.89Å; E324-Q326 PolarHBondContact OE2-NE2 3.23Å; Q326-V344 HydrophobicContact CB-CG1 4.19Å; Q326-V344 PolarHBondContact N-O 2.85Å; Q326-T346 HydrophobicContact CG-CG2 3.65Å; Q326-T346 PolarHBondContact NE2-OG1 2.95Å
327	D	98.4	Very high	92.9	Very high	20 Å²	20	59 Å²	59	11%	0.107	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	156	-177.6	-164.8	21.6	0	0	0	112.7	I244 L325 G343 V344 Q451 I452	I244-D327 VanDerWaalsContact CG2-CA 3.45Å; L325-D327 WeakPolarHBondContact CD1-O 3.36Å; D327-G343 WeakPolarHBondContact O-CA 3.19Å; D327-V344 HydrophobicContact CB-CB 4.37Å; D327-V344 PolarHBondContact O-N 2.94Å; D327-Q451 VanDerWaalsContact OD2-CA 3.28Å; D327-Q451 WeakPolarHBondContact OD2-CA 3.36Å; D327-I452 HydrophobicContact CB-CG2 4.23Å; D327-I452 PolarHBondContact OD2-N 3.38Å
328	I	98.3	Very high	94	Very high	8 Å²	8	58.6 Å²	58.6	4%	0.041	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	129.6	177.7	-66.7	-75.2	0	0	0	110	I244 F247 F263 L325 L330 V341 Y342	I244-I328 HydrophobicContact CG2-CG1 4.46Å; F247-I328 HydrophobicContact CE2-CB 4.24Å; F247-I328 HydrophobicContact CE2-CG2 3.66Å; F247-I328 HydrophobicContact CZ-CG2 4.11Å; F263-I328 HydrophobicContact CB-CD1 4.37Å; F263-I328 HydrophobicContact CB-CG1 3.71Å; F263-I328 HydrophobicContact CD1-CD1 3.78Å; F263-I328 HydrophobicContact CD1-CG1 3.99Å; F263-I328 HydrophobicContact CD2-CG1 4.32Å; F263-I328 HydrophobicContact CD2-CG2 4.09Å; F263-I328 HydrophobicContact CE1-CD1 4.25Å; F263-I328 HydrophobicContact CE2-CG2 4.19Å; F263-I328 HydrophobicContact CG-CB 4.5Å; F263-I328 HydrophobicContact CG-CD1 4.1Å; F263-I328 HydrophobicContact CG-CG1 3.76Å; F263-I328 HydrophobicContact CG-CG2 4.33Å; F263-I328 HydrophobicContact CZ-CG2 4.5Å; L325-I328 HydrophobicContact CD1-CD1 3.58Å; L325-I328 HydrophobicContact CD1-CG1 3.94Å; L325-I328 HydrophobicContact CD2-CD1 4.04Å; L325-I328 HydrophobicContact CD2-CG1 3.88Å; L325-I328 HydrophobicContact CG-CD1 4.4Å; L325-I328 HydrophobicContact CG-CG1 4.34Å; I328-L330 HydrophobicContact CG2-CD2 4.24Å; I328-V341 HydrophobicContact CD1-CG1 4.32Å; I328-V341 HydrophobicContact CG2-CG1 4.08Å; I328-Y342 CarbonylContact C-O 3.54Å; I328-Y342 VanDerWaalsContact CA-O 3.3Å; I328-Y342 WeakPolarHBondContact CA-O 3.19Å
329	Y	98.3	Very high	94.7	Very high	53 Å²	53	55.8 Å²	55.8	21%	0.208	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	131.5	171.3	-173.8	-95.8	0	0	0	110.7	L331 Y342 V453 V454	Y329-L331 HydrophobicContact CD1-CB 4.41Å; Y329-L331 HydrophobicContact CE1-CB 4.21Å; Y329-L331 HydrophobicContact CE1-CD1 4.13Å; Y329-Y342 PolarHBondContact N-O 2.81Å; Y329-Y342 PolarHBondContact O-N 2.86Å; Y329-V453 HydrophobicContact CD2-CB 4.2Å; Y329-V453 HydrophobicContact CD2-CG1 4.15Å; Y329-V453 HydrophobicContact CE2-CB 4.05Å; Y329-V453 HydrophobicContact CE2-CG1 4.13Å; Y329-V454 HydrophobicContact CD1-CB 3.77Å; Y329-V454 HydrophobicContact CD1-CG2 3.79Å; Y329-V454 HydrophobicContact CE1-CB 3.77Å; Y329-V454 HydrophobicContact CE1-CG2 4.31Å; Y329-V454 VanDerWaalsContact CE1-O 3.29Å; Y329-V454 WeakPolarHBondContact CE1-O 3.42Å; Y329-V454 HydrophobicContact CG-CG2 4.45Å; Y329-V454 PolarHBondContact OH-O 3.41Å
330	L	97.7	Very high	95.2	Very high	30 Å²	30	55 Å²	55	16%	0.157	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	106.6	174	-62.7	-168	0	0	0	109.3	F247 I249 I328 P332 P339 V341	F247-L330 HydrophobicContact CB-CD1 3.49Å; F247-L330 VanDerWaalsContact CB-CD1 3.49Å; F247-L330 HydrophobicContact CD1-CD1 3.58Å; F247-L330 HydrophobicContact CD1-CG 3.99Å; F247-L330 HydrophobicContact CD2-CD1 3.82Å; F247-L330 HydrophobicContact CD2-CG 4.11Å; F247-L330 HydrophobicContact CE1-CD1 4.24Å; F247-L330 HydrophobicContact CE1-CG 4.13Å; F247-L330 HydrophobicContact CE2-CD1 4.44Å; F247-L330 HydrophobicContact CE2-CG 4.25Å; F247-L330 HydrophobicContact CG-CD1 3.34Å; F247-L330 HydrophobicContact CG-CG 3.98Å; F247-L330 HydrophobicContact CZ-CG 4.25Å; I249-L330 HydrophobicContact CD1-CD1 3.75Å; I249-L330 HydrophobicContact CG1-CD1 4.19Å; I328-L330 HydrophobicContact CG2-CD2 4.24Å; L330-P332 VanDerWaalsContact O-CD 3.31Å; L330-P332 WeakPolarHBondContact O-CD 3.24Å; L330-P339 HydrophobicContact CB-CB 4.21Å; L330-P339 HydrophobicContact CD1-CG 4.39Å; L330-V341 HydrophobicContact CD2-CB 4.12Å; L330-V341 HydrophobicContact CD2-CG1 3.97Å; L330-V341 HydrophobicContact CD2-CG2 3.72Å
331	L	96.4	Very high	95.6	Very high	14 Å²	14	51.4 Å²	51.4	7%	0.073	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	114.7	172.8	-176.4	71.1	0	0	0	108.4	Y329 P339 V340 Y342 V454 H456	Y329-L331 HydrophobicContact CD1-CB 4.41Å; Y329-L331 HydrophobicContact CE1-CB 4.21Å; Y329-L331 HydrophobicContact CE1-CD1 4.13Å; L331-P339 WeakPolarHBondContact O-CA 3.34Å; L331-V340 HydrophobicContact CB-CB 4.27Å; L331-V340 PolarHBondContact N-O 3.06Å; L331-V340 PolarHBondContact O-N 2.66Å; L331-Y342 HydrophobicContact CB-CD2 4.24Å; L331-Y342 HydrophobicContact CB-CE2 3.93Å; L331-Y342 HydrophobicContact CD2-CE2 4.01Å; L331-V454 HydrophobicContact CD1-CB 4.37Å; L331-V454 HydrophobicContact CD1-CG1 4.34Å; L331-V454 HydrophobicContact CD2-CG1 4.46Å; L331-H456 HydrophobicContact CD1-CB 4.27Å
332	P	94.1	Very high	95.9	Very high	97 Å²	97	47.9 Å²	47.9	63%	0.63	23%	0.231	S	C	*	.			trans	-65.7	141.8	-179.6	27.6	-34.1	0	0	0	110.2	L330	L330-P332 VanDerWaalsContact O-CD 3.31Å; L330-P332 WeakPolarHBondContact O-CD 3.24Å
333	T	93.5	Very high	96.1	Very high	56 Å²	56	47.8 Å²	47.8	34%	0.344	23%	0.23	S	C	.	.			trans	-111	-177.6	170.3	72.6	0	0	0	0	109.8	D335 N338 V340	T333-D335 PolarHBondContact O-N 3.24Å; T333-D335 VanDerWaalsContact O-N 3.17Å; T333-D335 PolarHBondContact OG1-N 2.64Å; T333-D335 PolarHBondContact OG1-O 3.32Å; T333-N338 WeakPolarHBondContact CG2-O 3.19Å; T333-N338 PolarHBondContact OG1-O 3.23Å; T333-V340 HydrophobicContact CG2-CG2 3.94Å
334	R	91.1	Very high	96.3	Very high	261 Å²	261	46.9 Å²	46.9	99%	0.985	23%	0.225	S	C	*	.	S	Bend	trans	-60.8	-21.6	173.6	-64.3	-175.9	-177.8	177.7	1.8	112.9
335	D	92.9	Very high	96.4	Very high	43 Å²	43	45.1 Å²	45.1	23%	0.23	22%	0.217	C	C	.	.	S	Bend	trans	-112.9	108.5	175.7	-178.5	7	0	0	0	108.8	T333 R337 N338	T333-D335 PolarHBondContact O-N 3.24Å; T333-D335 VanDerWaalsContact O-N 3.17Å; T333-D335 PolarHBondContact OG1-N 2.64Å; T333-D335 PolarHBondContact OG1-O 3.32Å; D335-R337 VanDerWaalsContact CG-NH2 3.32Å; D335-R337 PolarHBondContact O-N 2.88Å; D335-R337 WeakPolarHBondContact OD1-CB 3.32Å; D335-R337 IonicContact OD1-CZ 2.83Å; D335-R337 PolarHBondContact OD1-N 3.13Å; D335-R337 IonicContact OD1-NE 2.77Å; D335-R337 PolarHBondContact OD1-NE 2.86Å; D335-R337 IonicContact OD1-NH2 3.81Å; D335-R337 PolarHBondContact OD1-NH2 3.46Å; D335-R337 IonicContact OD2-CZ 3.49Å; D335-R337 IonicContact OD2-NE 2.85Å; D335-R337 PolarHBondContact OD2-NE 3.39Å; D335-R337 IonicContact OD2-NH2 2.81Å; D335-R337 PolarHBondContact OD2-NH2 2.92Å; D335-N338 HydrophobicContact CB-CB 4.46Å; D335-N338 CarbonylContact O-C 3.47Å; D335-N338 PolarHBondContact O-N 3.2Å; D335-N338 PolarHBondContact OD2-ND2 2.92Å
336	E	90.3	Very high	96.3	Very high	163 Å²	163	45.1 Å²	45.1	76%	0.762	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-18.4	-178.8	-64	179.1	175.7	0	0	113.3	N338 P339	E336-N338 VanDerWaalsContact C-N 3.29Å; E336-P339 WeakPolarHBondContact O-CD 3.46Å
337	R	93.9	Very high	96	Very high	39 Å²	39	43.9 Å²	43.9	15%	0.147	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-17.1	173.3	-59.8	167.5	-60.4	164.2	10.2	112.2	P250 T252 Y253 D335 P339 R366	P250-R337 HydrophobicContact CB-CG 3.96Å; P250-R337 HydrophobicContact CG-CG 3.7Å; P250-R337 WeakPolarHBondContact O-CB 3.48Å; P250-R337 WeakPolarHBondContact O-CG 3.23Å; T252-R337 WeakPolarHBondContact O-CD 3.39Å; Y253-R337 VanDerWaalsContact CE1-CZ 3.44Å; Y253-R337 PolarHBondContact OH-NH2 3.26Å; D335-R337 VanDerWaalsContact CG-NH2 3.32Å; D335-R337 PolarHBondContact O-N 2.88Å; D335-R337 WeakPolarHBondContact OD1-CB 3.32Å; D335-R337 IonicContact OD1-CZ 2.83Å; D335-R337 PolarHBondContact OD1-N 3.13Å; D335-R337 IonicContact OD1-NE 2.77Å; D335-R337 PolarHBondContact OD1-NE 2.86Å; D335-R337 IonicContact OD1-NH2 3.81Å; D335-R337 PolarHBondContact OD1-NH2 3.46Å; D335-R337 IonicContact OD2-CZ 3.49Å; D335-R337 IonicContact OD2-NE 2.85Å; D335-R337 PolarHBondContact OD2-NE 3.39Å; D335-R337 IonicContact OD2-NH2 2.81Å; D335-R337 PolarHBondContact OD2-NH2 2.92Å; R337-P339 WeakPolarHBondContact O-CD 3.23Å; R337-R366 PolarHBondContact O-NH1 3.47Å; R337-R366 PolarHBondContact O-NH2 3.09Å
338	N	96	Very high	95.5	Very high	58 Å²	58	46.5 Å²	46.5	31%	0.31	23%	0.229	S	C	.	.	S	Bend	trans	-125.8	58.3	-175.3	-68.4	-60.5	0	0	0	111.7	T333 D335 E336 R366	T333-N338 WeakPolarHBondContact CG2-O 3.19Å; T333-N338 PolarHBondContact OG1-O 3.23Å; D335-N338 HydrophobicContact CB-CB 4.46Å; D335-N338 CarbonylContact O-C 3.47Å; D335-N338 PolarHBondContact O-N 3.2Å; D335-N338 PolarHBondContact OD2-ND2 2.92Å; E336-N338 VanDerWaalsContact C-N 3.29Å; N338-R366 PolarHBondContact OD1-NH1 2.94Å
339	P	97.1	Very high	94.7	Very high	10 Å²	10	48 Å²	48	7%	0.065	24%	0.24	C	C	.	.			trans	-63.7	152.8	166.9	29.6	-36.1	0	0	0	110.5	I249 L330 L331 E336 R337 M362	I249-P339 HydrophobicContact CD1-CG 4.2Å; I249-P339 HydrophobicContact CG2-CG 4.28Å; L330-P339 HydrophobicContact CB-CB 4.21Å; L330-P339 HydrophobicContact CD1-CG 4.39Å; L331-P339 WeakPolarHBondContact O-CA 3.34Å; E336-P339 WeakPolarHBondContact O-CD 3.46Å; R337-P339 WeakPolarHBondContact O-CD 3.23Å; P339-M362 HydrophobicContact CG-CG 3.81Å; P339-M362 WeakPolarHBondContact O-CG 3.31Å
340	V	97.4	Very high	93.5	Very high	43 Å²	43	50.3 Å²	50.3	26%	0.261	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	128.2	169.6	-178.9	0	0	0	0	108.1	L331 T333 Y342 V359	L331-V340 HydrophobicContact CB-CB 4.27Å; L331-V340 PolarHBondContact N-O 3.06Å; L331-V340 PolarHBondContact O-N 2.66Å; T333-V340 HydrophobicContact CG2-CG2 3.94Å; V340-Y342 HydrophobicContact CB-CE2 4.13Å; V340-Y342 HydrophobicContact CG1-CD2 4.13Å; V340-Y342 HydrophobicContact CG1-CE2 3.55Å; V340-V359 HydrophobicContact CG1-CG1 3.31Å
341	V	98.5	Very high	92.5	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	111.4	-173.6	-174.4	0	0	0	0	109.4	F263 I328 L330 V359 Y360 M362 I365	F263-V341 HydrophobicContact CE1-CG1 3.98Å; F263-V341 HydrophobicContact CZ-CG1 3.91Å; I328-V341 HydrophobicContact CD1-CG1 4.32Å; I328-V341 HydrophobicContact CG2-CG1 4.08Å; L330-V341 HydrophobicContact CD2-CB 4.12Å; L330-V341 HydrophobicContact CD2-CG1 3.97Å; L330-V341 HydrophobicContact CD2-CG2 3.72Å; V341-V359 CarbonylContact O-C 3.53Å; V341-V359 WeakPolarHBondContact O-CA 3.34Å; V341-Y360 HydrophobicContact CG1-CD2 4.5Å; V341-Y360 PolarHBondContact N-O 2.87Å; V341-Y360 PolarHBondContact O-N 2.72Å; V341-M362 HydrophobicContact CG2-CG 4.18Å; V341-M362 HydrophobicContact CG2-SD 3.81Å; V341-I365 HydrophobicContact CG2-CD1 3.97Å
342	Y	98.6	Very high	91.7	Very high	9 Å²	9	61.7 Å²	61.7	4%	0.035	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	134.7	171.4	-70.7	-107.1	0	0	0	109.4	I328 Y329 L331 V340 V357 V359 I452 V454 D465 M467	I328-Y342 CarbonylContact C-O 3.54Å; I328-Y342 VanDerWaalsContact CA-O 3.3Å; I328-Y342 WeakPolarHBondContact CA-O 3.19Å; Y329-Y342 PolarHBondContact N-O 2.81Å; Y329-Y342 PolarHBondContact O-N 2.86Å; L331-Y342 HydrophobicContact CB-CD2 4.24Å; L331-Y342 HydrophobicContact CB-CE2 3.93Å; L331-Y342 HydrophobicContact CD2-CE2 4.01Å; V340-Y342 HydrophobicContact CB-CE2 4.13Å; V340-Y342 HydrophobicContact CG1-CD2 4.13Å; V340-Y342 HydrophobicContact CG1-CE2 3.55Å; Y342-V357 HydrophobicContact CD1-CG1 4.14Å; Y342-V359 HydrophobicContact CD1-CG2 3.58Å; Y342-V359 HydrophobicContact CE1-CG2 3.43Å; Y342-V359 VanDerWaalsContact CE1-CG2 3.43Å; Y342-V359 HydrophobicContact CE2-CG1 4.4Å; Y342-V359 HydrophobicContact CG-CG2 4.23Å; Y342-I452 HydrophobicContact CD1-CD1 4.21Å; Y342-I452 HydrophobicContact CG-CD1 4.46Å; Y342-V454 HydrophobicContact CD1-CG2 3.89Å; Y342-V454 HydrophobicContact CD2-CG2 4.12Å; Y342-V454 HydrophobicContact CE1-CG1 4.39Å; Y342-V454 HydrophobicContact CE1-CG2 4.2Å; Y342-V454 HydrophobicContact CE2-CG1 4.41Å; Y342-V454 HydrophobicContact CE2-CG2 4.42Å; Y342-V454 HydrophobicContact CG-CG2 3.87Å; Y342-D465 PolarHBondContact OH-OD2 3.03Å; Y342-M467 HydrophobicContact CD1-SD 4.23Å; Y342-M467 HydrophobicContact CE1-CG 4.4Å; Y342-M467 HydrophobicContact CE1-SD 4.16Å
343	G	98.5	Very high	91.4	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	135.7	173.6	0	0	0	0	0	112.5	D327 F345 V357 C358	D327-G343 WeakPolarHBondContact O-CA 3.19Å; G343-F345 VanDerWaalsContact O-CD2 3.26Å; G343-F345 WeakPolarHBondContact O-CD2 3.25Å; G343-F345 WeakPolarHBondContact O-CE2 2.92Å; G343-V357 WeakPolarHBondContact O-CA 3.48Å; G343-C358 PolarHBondContact N-O 3Å; G343-C358 PolarHBondContact O-N 3.35Å
344	V	98.6	Very high	91.3	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	125	171.3	175.8	0	0	0	0	108.9	Q326 D327 V357 L449 I452 L469	Q326-V344 HydrophobicContact CB-CG1 4.19Å; Q326-V344 PolarHBondContact N-O 2.85Å; D327-V344 HydrophobicContact CB-CB 4.37Å; D327-V344 PolarHBondContact O-N 2.94Å; V344-V357 HydrophobicContact CG2-CG2 4.31Å; V344-L449 HydrophobicContact CG1-CB 3.52Å; V344-L449 HydrophobicContact CG1-CD1 4.48Å; V344-I452 HydrophobicContact CG2-CB 3.56Å; V344-I452 HydrophobicContact CG2-CD1 4.26Å; V344-I452 HydrophobicContact CG2-CG2 3.52Å; V344-L469 HydrophobicContact CG2-CD2 4.47Å
345	F	98.1	Very high	91.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	147.7	-179	-60.8	-97.9	0	0	0	110.8	L308 C310 F322 E324 L325 G343 S355 A356 C358 Y360	L308-F345 HydrophobicContact CB-CZ 4.48Å; C310-F345 HydrophobicContact CB-CB 4.24Å; C310-F345 HydrophobicContact CB-CD1 4.07Å; C310-F345 HydrophobicContact CB-CD2 3.66Å; C310-F345 HydrophobicContact CB-CE1 4.34Å; C310-F345 HydrophobicContact CB-CE2 3.99Å; C310-F345 HydrophobicContact CB-CG 3.72Å; C310-F345 HydrophobicContact CB-CZ 4.32Å; F322-F345 HydrophobicContact CB-CB 3.52Å; F322-F345 WeakPolarHBondContact O-CB 3.35Å; F322-F345 VanDerWaalsContact O-CD1 3.25Å; F322-F345 WeakPolarHBondContact O-CD1 3.26Å; E324-F345 CarbonylContact O-C 3.54Å; E324-F345 VanDerWaalsContact O-CA 3.32Å; E324-F345 WeakPolarHBondContact O-CA 3.45Å; L325-F345 HydrophobicContact CB-CD1 4.1Å; L325-F345 HydrophobicContact CB-CE1 3.96Å; L325-F345 HydrophobicContact CD1-CD1 4.1Å; L325-F345 HydrophobicContact CD1-CD2 4.47Å; L325-F345 HydrophobicContact CD1-CE1 3.63Å; L325-F345 HydrophobicContact CD1-CE2 4.03Å; L325-F345 HydrophobicContact CD1-CG 4.49Å; L325-F345 HydrophobicContact CD1-CZ 3.58Å; L325-F345 HydrophobicContact CG-CE1 4.37Å; G343-F345 VanDerWaalsContact O-CD2 3.26Å; G343-F345 WeakPolarHBondContact O-CD2 3.25Å; G343-F345 WeakPolarHBondContact O-CE2 2.92Å; F345-S355 CarbonylContact O-C 3.59Å; F345-S355 VanDerWaalsContact O-CA 3.25Å; F345-S355 WeakPolarHBondContact O-CA 3.4Å; F345-A356 PolarHBondContact N-O 3.4Å; F345-A356 PolarHBondContact O-N 2.84Å; F345-C358 HydrophobicContact CD2-CB 4.23Å; F345-C358 HydrophobicContact CE2-CB 3.94Å; F345-Y360 AromaticContact CE2-CE2 3.85Å; F345-Y360 HydrophobicContact CE2-CE2 3.85Å; F345-Y360 WeakPolarHBondContact CE2-OH 3.22Å; F345-Y360 AromaticContact CZ-CE2 3.86Å; F345-Y360 HydrophobicContact CZ-CE2 3.86Å; F345-Y360 AromaticContact CZ-CZ 3.94Å; F345-Y360 WeakPolarHBondContact CZ-OH 3.34Å
346	T	96.1	Very high	91.7	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	161.2	171.9	63.5	0	0	0	0	111.4	F322 D323 E324 Q326 G354 R448	F322-T346 CarbonylContact C-O 3.56Å; F322-T346 WeakPolarHBondContact CA-O 3.27Å; D323-T346 PolarHBondContact N-O 3.38Å; E324-T346 WeakPolarHBondContact CB-O 3.32Å; E324-T346 WeakPolarHBondContact CB-OG1 3.4Å; E324-T346 PolarHBondContact N-O 3.01Å; E324-T346 VanDerWaalsContact N-O 3.08Å; E324-T346 PolarHBondContact O-N 2.85Å; Q326-T346 HydrophobicContact CG-CG2 3.65Å; Q326-T346 PolarHBondContact NE2-OG1 2.95Å; T346-G354 CarbonylContact C-O 3.34Å; T346-G354 VanDerWaalsContact CA-O 3.26Å; T346-G354 WeakPolarHBondContact CA-O 3.45Å; T346-R448 HydrophobicContact CG2-CB 4.14Å; T346-R448 HydrophobicContact CG2-CG 4.39Å
347	T	92.6	Very high	92.1	Very high	16 Å²	16	35.9 Å²	35.9	10%	0.098	19%	0.194	C	C	.	.			trans	-67.9	149.2	169.1	50.5	0	0	0	0	111	F322 S349 F352 G354	F322-T347 HydrophobicContact CD1-CG2 3.82Å; F322-T347 HydrophobicContact CE1-CG2 3.87Å; T347-S349 VanDerWaalsContact C-N 3.33Å; T347-F352 PolarHBondContact OG1-O 2.96Å; T347-G354 PolarHBondContact N-O 2.62Å; T347-G354 PolarHBondContact OG1-N 2.65Å; T347-G354 PolarHBondContact OG1-O 2.88Å
348	T	87.3	Confident	92.3	Very high	75 Å²	75	34 Å²	34	46%	0.46	19%	0.187	S	C	.	.	S	Bend	trans	-76.8	-21.2	173.2	49.7	0	0	0	0	112.7	I278 D323 E324 S350	I278-T348 HydrophobicContact CB-CG2 4.1Å; I278-T348 HydrophobicContact CD1-CG2 4.41Å; D323-T348 HydrophobicContact CB-CG2 4.29Å; E324-T348 HydrophobicContact CG-CG2 3.83Å; T348-S350 PolarHBondContact O-N 2.93Å
349	S	81.4	Confident	92.4	Very high	39 Å²	39	32 Å²	32	27%	0.273	18%	0.176	S	C	.	.			trans	-66.9	132.6	-179.7	-174.7	0	0	0	0	111.4	T347 I351 F352 R448	T347-S349 VanDerWaalsContact C-N 3.33Å; S349-I351 VanDerWaalsContact C-N 3.32Å; S349-I351 PolarHBondContact OG-N 2.8Å; S349-F352 PolarHBondContact OG-N 3.41Å; S349-F352 VanDerWaalsContact OG-N 3.16Å; S349-R448 PolarHBondContact O-NH2 3.45Å
350	S	73.1	Confident	92.4	Very high	102 Å²	102	31.5 Å²	31.5	71%	0.713	17%	0.173	S	C	*	.	S	Bend	trans	-72.8	-27.2	170	55	0	0	0	0	112.5	T348	T348-S350 PolarHBondContact O-N 2.93Å
351	I	77.4	Confident	92.4	Very high	138 Å²	138	31 Å²	31	71%	0.708	17%	0.171	S	C	*	.	S	Bend	trans	-84.5	-47.3	-176.3	-56.4	169.9	0	0	0	110.3	S349	S349-I351 VanDerWaalsContact C-N 3.32Å; S349-I351 PolarHBondContact OG-N 2.8Å
352	F	80.1	Confident	92.4	Very high	145 Å²	145	31 Å²	31	64%	0.636	17%	0.172	S	C	*	.	S	Bend	trans	-95.4	102.4	179.3	-62.6	-74.1	0	0	0	110.2	T347 S349 G354	T347-F352 PolarHBondContact OG1-O 2.96Å; S349-F352 PolarHBondContact OG-N 3.41Å; S349-F352 VanDerWaalsContact OG-N 3.16Å; F352-G354 PolarHBondContact O-N 3.03Å
353	K	86.4	Confident	92.3	Very high	75 Å²	75	33.3 Å²	33.3	33%	0.326	19%	0.193	S	C	.	.			trans	-81	106.5	171.7	-55.2	-166.7	-176.3	-176.1	0	109.5	D446 R448	K353-D446 PolarHBondContact NZ-O 2.99Å; K353-R448 HydrophobicContact CB-CG 4.44Å
354	G	92.4	Very high	92.3	Very high	3 Å²	3	36.7 Å²	36.7	3%	0.031	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	141.2	172.7	0	0	0	0	0	110	T346 T347 F352	T346-G354 CarbonylContact C-O 3.34Å; T346-G354 VanDerWaalsContact CA-O 3.26Å; T346-G354 WeakPolarHBondContact CA-O 3.45Å; T347-G354 PolarHBondContact N-O 2.62Å; T347-G354 PolarHBondContact OG1-N 2.65Å; T347-G354 PolarHBondContact OG1-O 2.88Å; F352-G354 PolarHBondContact O-N 3.03Å
355	S	96.4	Very high	92.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	148	171.6	-52.2	0	0	0	0	110.4	F345 R442 R448 L449	F345-S355 CarbonylContact O-C 3.59Å; F345-S355 VanDerWaalsContact O-CA 3.25Å; F345-S355 WeakPolarHBondContact O-CA 3.4Å; S355-R442 PolarHBondContact N-O 2.91Å; S355-R442 PolarHBondContact O-N 2.8Å; S355-R448 WeakPolarHBondContact OG-CA 3.17Å; S355-L449 VanDerWaalsContact CB-CG 3.46Å; S355-L449 PolarHBondContact OG-N 3.38Å
356	A	96.4	Very high	92.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	149.1	-179	0	0	0	0	0	110.6	F322 F345 P438 F440	F322-A356 HydrophobicContact CB-CB 4.24Å; F322-A356 HydrophobicContact CD1-CB 3.7Å; F322-A356 HydrophobicContact CD2-CB 3.75Å; F322-A356 HydrophobicContact CE1-CB 3.91Å; F322-A356 HydrophobicContact CE2-CB 3.98Å; F322-A356 HydrophobicContact CG-CB 3.63Å; F322-A356 HydrophobicContact CZ-CB 4.05Å; F345-A356 PolarHBondContact N-O 3.4Å; F345-A356 PolarHBondContact O-N 2.84Å; A356-P438 HydrophobicContact CB-CB 3.98Å; A356-P438 HydrophobicContact CB-CG 3.95Å; A356-F440 CarbonylContact C-O 3.48Å; A356-F440 VanDerWaalsContact CA-O 3.32Å; A356-F440 WeakPolarHBondContact CA-O 3.42Å
357	V	97.9	Very high	92.3	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	122.1	168.9	-176.6	0	0	0	0	107.9	Y342 G343 V344 P438 T439 F440 L449 I452 M467 L469	Y342-V357 HydrophobicContact CD1-CG1 4.14Å; G343-V357 WeakPolarHBondContact O-CA 3.48Å; V344-V357 HydrophobicContact CG2-CG2 4.31Å; V357-P438 CarbonylContact O-C 3.58Å; V357-P438 WeakPolarHBondContact O-CA 3.28Å; V357-T439 PolarHBondContact O-N 3.01Å; V357-F440 HydrophobicContact CB-CB 4.1Å; V357-F440 HydrophobicContact CG2-CB 4.21Å; V357-F440 HydrophobicContact CG2-CD1 4.12Å; V357-F440 PolarHBondContact N-O 3.36Å; V357-F440 PolarHBondContact O-N 2.93Å; V357-L449 HydrophobicContact CG2-CD1 4.26Å; V357-I452 HydrophobicContact CG1-CD1 3.76Å; V357-I452 HydrophobicContact CG2-CD1 4.39Å; V357-M467 HydrophobicContact CB-SD 4.49Å; V357-M467 HydrophobicContact CG1-SD 3.95Å; V357-L469 HydrophobicContact CG2-CD1 4.24Å; V357-L469 HydrophobicContact CG2-CD2 3.79Å
358	C	97.6	Very high	92.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	143.5	175.5	-82.3	0	0	0	0	110.1	C310 G343 F345 Y360 P433	C310-C358 WeakPolarHBondContact CA-SG 3.48Å; C310-C358 HydrophobicContact CB-CB 3.82Å; C310-C358 WeakPolarHBondContact CB-SG 3.45Å; C310-C358 WeakPolarHBondContact SG-CB 3.37Å; C310-C358 CovalentContact SG-SG 2.05Å; C310-C358 PolarHBondContact SG-SG 2.99Å; G343-C358 PolarHBondContact N-O 3Å; G343-C358 PolarHBondContact O-N 3.35Å; F345-C358 HydrophobicContact CD2-CB 4.23Å; F345-C358 HydrophobicContact CE2-CB 3.94Å; C358-Y360 HydrophobicContact CB-CE2 3.85Å; C358-P433 HydrophobicContact CB-CB 4.1Å
359	V	97.6	Very high	93.1	Very high	15 Å²	15	37.2 Å²	37.2	9%	0.091	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	129.8	-178.1	-177.3	0	0	0	0	109.7	V340 V341 Y342 P433 V434 T439	V340-V359 HydrophobicContact CG1-CG1 3.31Å; V341-V359 CarbonylContact O-C 3.53Å; V341-V359 WeakPolarHBondContact O-CA 3.34Å; Y342-V359 HydrophobicContact CD1-CG2 3.58Å; Y342-V359 HydrophobicContact CE1-CG2 3.43Å; Y342-V359 VanDerWaalsContact CE1-CG2 3.43Å; Y342-V359 HydrophobicContact CE2-CG1 4.4Å; Y342-V359 HydrophobicContact CG-CG2 4.23Å; V359-P433 CarbonylContact O-C 3.56Å; V359-P433 WeakPolarHBondContact O-CA 3.46Å; V359-P433 WeakPolarHBondContact O-CB 3.49Å; V359-V434 PolarHBondContact O-N 3.38Å; V359-T439 HydrophobicContact CG2-CG2 4.46Å; V359-T439 WeakPolarHBondContact CG2-OG1 3.17Å
360	Y	98.4	Very high	93.9	Very high	1 Å²	1	39.8 Å²	39.8	0%	0.004	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	149.7	-178.5	-49.1	-89.3	0	0	0	111	L308 I309 V341 F345 C358 I431 Y432 P433	L308-Y360 HydrophobicContact CD2-CD1 3.96Å; L308-Y360 HydrophobicContact CD2-CD2 4.2Å; L308-Y360 HydrophobicContact CD2-CE1 3.83Å; L308-Y360 HydrophobicContact CD2-CE2 4.1Å; L308-Y360 HydrophobicContact CD2-CG 4.12Å; I309-Y360 PolarHBondContact O-OH 2.86Å; V341-Y360 HydrophobicContact CG1-CD2 4.5Å; V341-Y360 PolarHBondContact N-O 2.87Å; V341-Y360 PolarHBondContact O-N 2.72Å; F345-Y360 AromaticContact CE2-CE2 3.85Å; F345-Y360 HydrophobicContact CE2-CE2 3.85Å; F345-Y360 WeakPolarHBondContact CE2-OH 3.22Å; F345-Y360 AromaticContact CZ-CE2 3.86Å; F345-Y360 HydrophobicContact CZ-CE2 3.86Å; F345-Y360 AromaticContact CZ-CZ 3.94Å; F345-Y360 WeakPolarHBondContact CZ-OH 3.34Å; C358-Y360 HydrophobicContact CB-CE2 3.85Å; Y360-I431 HydrophobicContact CD1-CG2 3.69Å; Y360-I431 HydrophobicContact CE1-CG2 4.33Å; Y360-I431 HydrophobicContact CG-CG2 4.42Å; Y360-Y432 WeakPolarHBondContact CD1-O 3.17Å; Y360-P433 HydrophobicContact CD1-CB 4.37Å; Y360-P433 HydrophobicContact CE1-CB 4.17Å
361	S	97.6	Very high	95	Very high	31 Å²	31	35.5 Å²	35.5	22%	0.217	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	143.1	172.7	86.4	0	0	0	0	110.8	A363 D364 I365	S361-A363 PolarHBondContact O-N 2.83Å; S361-D364 PolarHBondContact O-N 2.81Å; S361-D364 PolarHBondContact OG-N 2.74Å; S361-D364 PolarHBondContact OG-OD2 3.42Å; S361-I365 WeakPolarHBondContact O-CG1 3.36Å; S361-I365 PolarHBondContact O-N 3.08Å
362	M	97.5	Very high	95.9	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-64.2	-24.9	172.1	-77	-57.7	-57.8	0	0	112.8	I249 Y261 P339 V341 I365 R366	I249-M362 HydrophobicContact CD1-CE 3.89Å; I249-M362 HydrophobicContact CD1-SD 3.83Å; I249-M362 HydrophobicContact CG2-CE 4.1Å; Y261-M362 HydrophobicContact CD1-CE 4.23Å; Y261-M362 HydrophobicContact CD2-CE 4.28Å; Y261-M362 HydrophobicContact CE1-CE 3.88Å; Y261-M362 HydrophobicContact CE2-CE 3.91Å; Y261-M362 HydrophobicContact CG-CE 4.41Å; P339-M362 HydrophobicContact CG-CG 3.81Å; P339-M362 WeakPolarHBondContact O-CG 3.31Å; V341-M362 HydrophobicContact CG2-CG 4.18Å; V341-M362 HydrophobicContact CG2-SD 3.81Å; M362-I365 HydrophobicContact CE-CG2 4.41Å; M362-I365 HydrophobicContact SD-CD1 3.72Å; M362-R366 WeakPolarHBondContact O-CB 3.23Å; M362-R366 VanDerWaalsContact O-CG 3.26Å; M362-R366 WeakPolarHBondContact O-CG 3.21Å; M362-R366 PolarHBondContact O-N 2.92Å
363	A	97.1	Very high	96.7	Very high	57 Å²	57	23.3 Å²	23.3	47%	0.471	14%	0.144	S	C	.	.	H	α-helix	trans	-63.6	-45.9	174.4	0	0	0	0	0	111.7	S361 R366 A367	S361-A363 PolarHBondContact O-N 2.83Å; A363-R366 PolarHBondContact O-N 3.39Å; A363-A367 WeakPolarHBondContact O-CB 3.29Å; A363-A367 PolarHBondContact O-N 3.03Å
364	D	97.9	Very high	96.9	Very high	70 Å²	70	19.9 Å²	19.9	37%	0.374	13%	0.129	S	C	.	.	H	α-helix	trans	-67.6	-40.3	178.4	-61.9	-41.4	0	0	0	111.7	S361 R366 A367 V368	S361-D364 PolarHBondContact O-N 2.81Å; S361-D364 PolarHBondContact OG-N 2.74Å; S361-D364 PolarHBondContact OG-OD2 3.42Å; D364-R366 PolarHBondContact O-N 3.11Å; D364-A367 PolarHBondContact O-N 3.11Å; D364-V368 PolarHBondContact O-N 3.13Å
365	I	98.5	Very high	96.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-57.6	-49.3	174.9	-68.6	168.8	0	0	0	110.1	Y261 V282 V341 S361 M362 V368 F369 I431	Y261-I365 HydrophobicContact CD1-CG2 4.44Å; Y261-I365 HydrophobicContact CE1-CG2 4Å; V282-I365 HydrophobicContact CG1-CG2 4.37Å; V341-I365 HydrophobicContact CG2-CD1 3.97Å; S361-I365 WeakPolarHBondContact O-CG1 3.36Å; S361-I365 PolarHBondContact O-N 3.08Å; M362-I365 HydrophobicContact CE-CG2 4.41Å; M362-I365 HydrophobicContact SD-CD1 3.72Å; I365-V368 PolarHBondContact O-N 3.49Å; I365-F369 HydrophobicContact CG2-CD2 3.8Å; I365-F369 HydrophobicContact CG2-CE2 3.53Å; I365-F369 WeakPolarHBondContact O-CD2 3.47Å; I365-F369 PolarHBondContact O-N 3.09Å; I365-F369 VanDerWaalsContact O-N 3.13Å; I365-I431 HydrophobicContact CG1-CG1 4.23Å; I365-I431 HydrophobicContact CG1-CG2 3.95Å
366	R	97.6	Very high	95.8	Very high	30 Å²	30	23.8 Å²	23.8	11%	0.113	15%	0.146	C	C	.	.	H	α-helix	trans	-64	-40.9	177.1	-72.7	170.7	-179.1	131.3	6.4	112.4	P250 D251 R337 N338 M362 A363 D364 V368 F369 N370	P250-R366 PolarHBondContact O-NH2 3.02Å; D251-R366 IonicContact OD1-CZ 3.98Å; D251-R366 IonicContact OD1-NE 3.22Å; D251-R366 PolarHBondContact OD1-NE 3.45Å; D251-R366 IonicContact OD1-NH2 2.7Å; D251-R366 PolarHBondContact OD1-NH2 2.93Å; R337-R366 PolarHBondContact O-NH1 3.47Å; R337-R366 PolarHBondContact O-NH2 3.09Å; N338-R366 PolarHBondContact OD1-NH1 2.94Å; M362-R366 WeakPolarHBondContact O-CB 3.23Å; M362-R366 VanDerWaalsContact O-CG 3.26Å; M362-R366 WeakPolarHBondContact O-CG 3.21Å; M362-R366 PolarHBondContact O-N 2.92Å; A363-R366 PolarHBondContact O-N 3.39Å; D364-R366 PolarHBondContact O-N 3.11Å; R366-V368 VanDerWaalsContact C-N 3.25Å; R366-V368 PolarHBondContact O-N 2.92Å; R366-F369 PolarHBondContact O-N 3.41Å; R366-N370 WeakPolarHBondContact O-CB 3.05Å; R366-N370 PolarHBondContact O-N 3.34Å; R366-N370 PolarHBondContact O-ND2 3.08Å
367	A	98	Very high	94.3	Very high	61 Å²	61	31.2 Å²	31.2	50%	0.504	18%	0.18	S	C	.	.	H	α-helix	trans	-58.8	-39.3	177.6	0	0	0	0	0	111.5	A363 D364 N370 G371	A363-A367 WeakPolarHBondContact O-CB 3.29Å; A363-A367 PolarHBondContact O-N 3.03Å; D364-A367 PolarHBondContact O-N 3.11Å; A367-N370 CarbonylContact O-C 3.55Å; A367-N370 PolarHBondContact O-N 3.43Å; A367-G371 PolarHBondContact O-N 3.39Å
368	V	98.4	Very high	92.4	Very high	13 Å²	13	33.7 Å²	33.7	8%	0.079	20%	0.198	C	C	.	.	H	α-helix	trans	-67.4	-44.5	174.8	169.8	0	0	0	0	112.1	A306 D364 I365 R366 N370 G371 M427 K429 I431	A306-V368 HydrophobicContact CB-CG1 3.71Å; D364-V368 PolarHBondContact O-N 3.13Å; I365-V368 PolarHBondContact O-N 3.49Å; R366-V368 VanDerWaalsContact C-N 3.25Å; R366-V368 PolarHBondContact O-N 2.92Å; V368-N370 PolarHBondContact O-N 3.41Å; V368-G371 WeakPolarHBondContact O-CA 3.4Å; V368-G371 PolarHBondContact O-N 3.49Å; V368-M427 HydrophobicContact CG1-CB 3.92Å; V368-M427 HydrophobicContact CG1-CG 4.35Å; V368-M427 WeakPolarHBondContact O-CE 3.48Å; V368-K429 HydrophobicContact CG1-CB 4.24Å; V368-K429 VanDerWaalsContact CG1-O 3.24Å; V368-K429 WeakPolarHBondContact CG1-O 3.27Å; V368-K429 HydrophobicContact CG2-CB 4.17Å; V368-I431 HydrophobicContact CB-CD1 4.08Å; V368-I431 HydrophobicContact CB-CG1 4.05Å; V368-I431 HydrophobicContact CG1-CD1 3.78Å; V368-I431 HydrophobicContact CG1-CG1 4.29Å; V368-I431 HydrophobicContact CG2-CD1 4.27Å; V368-I431 HydrophobicContact CG2-CG1 3.89Å
369	F	98.1	Very high	90.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66.3	-24.5	176.2	-73.5	-63.8	0	0	0	113.9	Y261 V282 R284 L304 A306 I365 R366 G371 M427	Y261-F369 HydrophobicContact CD1-CE2 4.32Å; Y261-F369 HydrophobicContact CE1-CD2 4.24Å; Y261-F369 AromaticContact CE1-CE2 3.83Å; Y261-F369 HydrophobicContact CE1-CE2 3.83Å; V282-F369 HydrophobicContact CG1-CE2 4.17Å; V282-F369 HydrophobicContact CG1-CZ 4.05Å; V282-F369 HydrophobicContact CG2-CE2 4.48Å; V282-F369 HydrophobicContact CG2-CZ 4.47Å; R284-F369 HydrophobicContact CB-CE2 4.41Å; R284-F369 HydrophobicContact CB-CZ 4.25Å; R284-F369 HydrophobicContact CG-CD1 4.18Å; R284-F369 HydrophobicContact CG-CD2 4.38Å; R284-F369 HydrophobicContact CG-CE1 3.96Å; R284-F369 HydrophobicContact CG-CE2 4.16Å; R284-F369 HydrophobicContact CG-CG 4.39Å; R284-F369 HydrophobicContact CG-CZ 3.95Å; L304-F369 HydrophobicContact CB-CD1 3.83Å; L304-F369 HydrophobicContact CB-CE1 3.85Å; L304-F369 HydrophobicContact CD1-CD1 4.38Å; A306-F369 HydrophobicContact CB-CE1 4.17Å; A306-F369 HydrophobicContact CB-CZ 4.34Å; I365-F369 HydrophobicContact CG2-CD2 3.8Å; I365-F369 HydrophobicContact CG2-CE2 3.53Å; I365-F369 WeakPolarHBondContact O-CD2 3.47Å; I365-F369 PolarHBondContact O-N 3.09Å; I365-F369 VanDerWaalsContact O-N 3.13Å; R366-F369 PolarHBondContact O-N 3.41Å; F369-G371 VanDerWaalsContact C-N 3.3Å; F369-M427 HydrophobicContact CD1-CG 3.76Å; F369-M427 HydrophobicContact CD1-SD 4.27Å; F369-M427 HydrophobicContact CE1-CG 4.23Å; F369-M427 WeakPolarHBondContact O-CE 3.28Å
370	N	96.7	Very high	88.8	Confident	92 Å²	92	42 Å²	42	49%	0.492	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	3.4	170.5	-64.7	-23.7	0	0	0	112.6	R366 A367 V368 R394	R366-N370 WeakPolarHBondContact O-CB 3.05Å; R366-N370 PolarHBondContact O-N 3.34Å; R366-N370 PolarHBondContact O-ND2 3.08Å; A367-N370 CarbonylContact O-C 3.55Å; A367-N370 PolarHBondContact O-N 3.43Å; V368-N370 PolarHBondContact O-N 3.41Å; N370-R394 PolarHBondContact O-NH1 3.34Å; N370-R394 PolarHBondContact O-NH2 3.35Å
371	G	96.8	Very high	87.4	Confident	13 Å²	13	49 Å²	49	13%	0.134	29%	0.287	C	S	.	.	S	Bend	trans	-91.4	-172.7	177.5	0	0	0	0	0	113.9	A367 V368 F369 R394 M427	A367-G371 PolarHBondContact O-N 3.39Å; V368-G371 WeakPolarHBondContact O-CA 3.4Å; V368-G371 PolarHBondContact O-N 3.49Å; F369-G371 VanDerWaalsContact C-N 3.3Å; G371-R394 PolarHBondContact O-NH2 2.66Å; G371-M427 WeakPolarHBondContact O-CE 3.46Å
372	P	96.7	Very high	86.4	Confident	26 Å²	26	54.8 Å²	54.8	17%	0.169	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-68.5	146.9	-175.5	27.7	-34.2	0	0	0	112.8	Q385 Y428 K429	P372-Q385 HydrophobicContact CB-CG 3.68Å; P372-Q385 HydrophobicContact CG-CG 4.06Å; P372-Y428 HydrophobicContact CG-CD1 4.29Å; P372-Y428 WeakPolarHBondContact O-CB 3.21Å; P372-Y428 PolarHBondContact O-N 3.12Å; P372-K429 HydrophobicContact CG-CG 4.27Å
373	Y	96.4	Very high	85.6	Confident	1 Å²	1	57.1 Å²	57.1	0%	0.004	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-78.5	153.5	173.6	-57.9	-89.7	0	0	0	110.7	L304 Y386 I390 R394 P395 F420 H424 M427	L304-Y373 HydrophobicContact CD1-CE1 4.21Å; L304-Y373 HydrophobicContact CD2-CD1 4.28Å; L304-Y373 HydrophobicContact CD2-CE1 3.78Å; Y373-Y386 WeakPolarHBondContact O-CB 3.43Å; Y373-Y386 PolarHBondContact O-N 3.21Å; Y373-I390 HydrophobicContact CD2-CD1 4.12Å; Y373-I390 HydrophobicContact CD2-CG1 4.34Å; Y373-I390 HydrophobicContact CE2-CD1 4Å; Y373-I390 HydrophobicContact CE2-CG1 4.3Å; Y373-I390 HydrophobicContact CE2-CG2 4.03Å; Y373-R394 WeakPolarHBondContact OH-CG 3.43Å; Y373-R394 PolarHBondContact OH-NE 3.45Å; Y373-P395 HydrophobicContact CE1-CB 4.47Å; Y373-P395 PolarHBondContact OH-O 3.35Å; Y373-F420 HydrophobicContact CD1-CE1 4.06Å; Y373-F420 AromaticContact CD2-CE1 3.78Å; Y373-F420 HydrophobicContact CD2-CE1 3.78Å; Y373-F420 AromaticContact CD2-CZ 3.87Å; Y373-F420 HydrophobicContact CD2-CZ 3.87Å; Y373-F420 HydrophobicContact CE1-CE1 4.27Å; Y373-F420 HydrophobicContact CE2-CE1 4.01Å; Y373-F420 HydrophobicContact CE2-CZ 4.37Å; Y373-F420 AromaticContact CG-CE1 3.83Å; Y373-F420 HydrophobicContact CG-CE1 3.83Å; Y373-F420 HydrophobicContact CG-CZ 4.12Å; Y373-H424 HydrophobicContact CD1-CB 4.4Å; Y373-H424 WeakPolarHBondContact CD1-O 3.41Å; Y373-M427 HydrophobicContact CD1-CE 4.05Å; Y373-M427 HydrophobicContact CD1-SD 3.93Å; Y373-M427 HydrophobicContact CE1-CE 4.12Å; Y373-M427 HydrophobicContact CE1-SD 4.04Å; Y373-M427 HydrophobicContact CG-CE 4.45Å
374	A	91.8	Very high	85.2	Confident	3 Å²	3	56.7 Å²	56.7	3%	0.025	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	146.7	169	0	0	0	0	0	110.1	W383 V384 V426 Y428	A374-W383 HydrophobicContact CB-CD2 4.47Å; A374-W383 HydrophobicContact CB-CE3 3.61Å; A374-W383 HydrophobicContact CB-CZ3 4.08Å; A374-V384 WeakPolarHBondContact CA-O 3.43Å; A374-V426 HydrophobicContact CB-CB 4.24Å; A374-V426 HydrophobicContact CB-CG1 4.17Å; A374-V426 PolarHBondContact N-O 2.88Å; A374-Y428 HydrophobicContact CB-CD2 4.46Å
375	H	86.9	Confident	85	Confident	31 Å²	31	56.8 Å²	56.8	14%	0.144	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	160.7	174.2	79	-83.1	0	0	0	112.1	V384 Q385 Y386 H424	H375-V384 WeakPolarHBondContact CE1-CG2 3.35Å; H375-V384 PolarHBondContact N-O 3.09Å; H375-V384 PolarHBondContact ND1-O 3.26Å; H375-V384 PolarHBondContact O-N 3.43Å; H375-Q385 PolarHBondContact CE1-O 2.76Å; H375-Q385 PolarHBondContact ND1-O 3.27Å; H375-Y386 HydrophobicContact CB-CD2 4.07Å; H375-Y386 AromaticContact CG-CD2 3.82Å; H375-Y386 WeakPolarHBondContact ND1-CA 3.4Å; H375-Y386 AromaticContact ND1-CD2 3.68Å; H375-Y386 PolarHBondContact ND1-N 3.47Å; H375-H424 WeakPolarHBondContact CB-NE2 3.29Å
376	K	77.1	Confident	84.7	Confident	53 Å²	53	59.1 Å²	59.1	23%	0.23	31%	0.312	C	S	.	.			trans	-124.7	80.3	177.4	-82.3	180	161.8	179.6	0	109.5	Y236 H381 W383	Y236-K376 HydrophobicContact CD1-CD 4.44Å; Y236-K376 HydrophobicContact CE1-CD 3.84Å; K376-H381 WeakPolarHBondContact CE-O 3.32Å; K376-W383 HydrophobicContact CD-CD2 4.04Å; K376-W383 HydrophobicContact CD-CE3 4.41Å; K376-W383 HydrophobicContact CD-CH2 4.34Å; K376-W383 HydrophobicContact CD-CZ2 3.96Å; K376-W383 HydrophobicContact CG-CD2 3.75Å; K376-W383 HydrophobicContact CG-CE3 3.83Å; K376-W383 HydrophobicContact CG-CG 4.18Å; K376-W383 HydrophobicContact CG-CH2 4.49Å; K376-W383 HydrophobicContact CG-CZ2 4.42Å; K376-W383 HydrophobicContact CG-CZ3 4.22Å
377	E	65.1	Low	84.4	Confident	156 Å²	156	63.8 Å²	63.8	73%	0.729	34%	0.34	S	S	*	.			trans	-129.7	0.1	179.3	-155.8	166.6	-155.5	0	0	112.5
378	S	58.4	Low	84.1	Confident	52 Å²	52	62.8 Å²	62.8	36%	0.364	34%	0.335	S	S	.	.	S	Bend	trans	-82	154.9	176.7	-174.9	0	0	0	0	112.7	D380 H381	S378-D380 PolarHBondContact O-N 3.01Å; S378-H381 PolarHBondContact O-N 3.43Å
379	A	56.9	Low	83.9	Confident	95 Å²	95	73 Å²	73	79%	0.785	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-23.4	-179.8	0	0	0	0	0	114.3
380	D	62.4	Low	83.8	Confident	95 Å²	95	76.1 Å²	76.1	51%	0.508	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-1.5	179.4	-56.8	-33.1	0	0	0	113.8	S378 R382	S378-D380 PolarHBondContact O-N 3.01Å; D380-R382 HydrophobicContact CB-CG 4.07Å; D380-R382 PolarHBondContact O-N 3.02Å; D380-R382 IonicContact OD2-CZ 3.61Å; D380-R382 IonicContact OD2-NE 3.5Å; D380-R382 IonicContact OD2-NH2 3.68Å; D380-R382 PolarHBondContact OD2-NH2 3.32Å
381	H	68.8	Low	83.8	Confident	148 Å²	148	72.4 Å²	72.4	69%	0.685	37%	0.369	S	S	*	.			trans	53.1	22.7	-175.2	-65.8	-76.7	0	0	0	115.4	K376 S378	K376-H381 WeakPolarHBondContact CE-O 3.32Å; S378-H381 PolarHBondContact O-N 3.43Å
382	R	77.4	Confident	83.7	Confident	153 Å²	153	78.8 Å²	78.8	58%	0.577	39%	0.39	S	S	*	.			trans	-86.2	151.3	177.9	-67.6	-174.8	-72.9	176	-2.8	111.9	D380 V384	D380-R382 HydrophobicContact CB-CG 4.07Å; D380-R382 PolarHBondContact O-N 3.02Å; D380-R382 IonicContact OD2-CZ 3.61Å; D380-R382 IonicContact OD2-NE 3.5Å; D380-R382 IonicContact OD2-NH2 3.68Å; D380-R382 PolarHBondContact OD2-NH2 3.32Å; R382-V384 PolarHBondContact O-N 2.69Å
383	W	81.2	Confident	83.6	Confident	50 Å²	50	78.1 Å²	78.1	19%	0.189	39%	0.386	C	S	.	.			trans	-69.7	124.4	171.5	-72.7	109.6	0	0	0	110.3	Y236 E270 A374 K376 V426	Y236-W383 HydrophobicContact CD1-CH2 4.03Å; Y236-W383 AromaticContact CD1-CZ2 3.96Å; Y236-W383 HydrophobicContact CD1-CZ2 3.96Å; E270-W383 VanDerWaalsContact OE1-CD1 3.3Å; A374-W383 HydrophobicContact CB-CD2 4.47Å; A374-W383 HydrophobicContact CB-CE3 3.61Å; A374-W383 HydrophobicContact CB-CZ3 4.08Å; K376-W383 HydrophobicContact CD-CD2 4.04Å; K376-W383 HydrophobicContact CD-CE3 4.41Å; K376-W383 HydrophobicContact CD-CH2 4.34Å; K376-W383 HydrophobicContact CD-CZ2 3.96Å; K376-W383 HydrophobicContact CG-CD2 3.75Å; K376-W383 HydrophobicContact CG-CE3 3.83Å; K376-W383 HydrophobicContact CG-CG 4.18Å; K376-W383 HydrophobicContact CG-CH2 4.49Å; K376-W383 HydrophobicContact CG-CZ2 4.42Å; K376-W383 HydrophobicContact CG-CZ3 4.22Å; W383-V426 HydrophobicContact CH2-CB 4.16Å; W383-V426 HydrophobicContact CH2-CG2 3.76Å; W383-V426 HydrophobicContact CZ2-CG2 4.21Å; W383-V426 HydrophobicContact CZ3-CB 4.13Å; W383-V426 HydrophobicContact CZ3-CG2 4.24Å
384	V	89.1	Confident	83.6	Confident	49 Å²	49	81.8 Å²	81.8	30%	0.297	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	162.4	178	-68.1	0	0	0	0	110.9	A374 H375 R382 Y386	A374-V384 WeakPolarHBondContact CA-O 3.43Å; H375-V384 WeakPolarHBondContact CE1-CG2 3.35Å; H375-V384 PolarHBondContact N-O 3.09Å; H375-V384 PolarHBondContact ND1-O 3.26Å; H375-V384 PolarHBondContact O-N 3.43Å; R382-V384 PolarHBondContact O-N 2.69Å; V384-Y386 PolarHBondContact O-N 3.11Å
385	Q	93.3	Very high	83.9	Confident	72 Å²	72	81.7 Å²	81.7	34%	0.336	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	133.4	174.7	-166.2	-179.6	-70.3	0	0	109.8	P372 H375 D387 Y428	P372-Q385 HydrophobicContact CB-CG 3.68Å; P372-Q385 HydrophobicContact CG-CG 4.06Å; H375-Q385 PolarHBondContact CE1-O 2.76Å; H375-Q385 PolarHBondContact ND1-O 3.27Å; Q385-D387 PolarHBondContact NE2-OD1 3.47Å; Q385-D387 PolarHBondContact O-N 3.22Å; Q385-Y428 HydrophobicContact CB-CD1 3.77Å; Q385-Y428 HydrophobicContact CB-CD2 4.06Å; Q385-Y428 HydrophobicContact CB-CE1 3.8Å; Q385-Y428 HydrophobicContact CB-CE2 4.09Å; Q385-Y428 HydrophobicContact CB-CG 3.9Å; Q385-Y428 HydrophobicContact CG-CD1 3.78Å; Q385-Y428 HydrophobicContact CG-CE1 4.17Å; Q385-Y428 HydrophobicContact CG-CG 4.07Å; Q385-Y428 VanDerWaalsContact N-CE2 3.35Å
386	Y	92.6	Very high	84.2	Confident	48 Å²	48	80.4 Å²	80.4	19%	0.188	39%	0.394	C	S	.	.			trans	-80.1	112.4	171.6	-175.6	-96.2	0	0	0	110.9	Y373 H375 V384 G388 R389 I390 F420 H424	Y373-Y386 WeakPolarHBondContact O-CB 3.43Å; Y373-Y386 PolarHBondContact O-N 3.21Å; H375-Y386 HydrophobicContact CB-CD2 4.07Å; H375-Y386 AromaticContact CG-CD2 3.82Å; H375-Y386 WeakPolarHBondContact ND1-CA 3.4Å; H375-Y386 AromaticContact ND1-CD2 3.68Å; H375-Y386 PolarHBondContact ND1-N 3.47Å; V384-Y386 PolarHBondContact O-N 3.11Å; Y386-G388 VanDerWaalsContact CE1-CA 3.41Å; Y386-G388 VanDerWaalsContact CE1-O 3.28Å; Y386-G388 WeakPolarHBondContact CE1-O 3.28Å; Y386-G388 VanDerWaalsContact CZ-CA 3.48Å; Y386-R389 PolarHBondContact OH-O 3.43Å; Y386-I390 HydrophobicContact CD1-CG1 4.47Å; Y386-I390 HydrophobicContact CE1-CG1 4.45Å; Y386-F420 HydrophobicContact CD1-CE2 4.03Å; Y386-F420 AromaticContact CD1-CZ 3.96Å; Y386-F420 HydrophobicContact CD1-CZ 3.96Å; Y386-F420 AromaticContact CE1-CE2 3.5Å; Y386-F420 HydrophobicContact CE1-CE2 3.5Å; Y386-F420 AromaticContact CE1-CZ 3.9Å; Y386-F420 HydrophobicContact CE1-CZ 3.9Å; Y386-F420 HydrophobicContact CE2-CE2 4.38Å; Y386-F420 AromaticContact CZ-CE2 3.7Å; Y386-H424 AromaticContact CD2-NE2 3.71Å; Y386-H424 AromaticContact CE2-NE2 3.91Å
387	D	90.4	Very high	85.1	Confident	129 Å²	129	79.8 Å²	79.8	69%	0.69	40%	0.395	S	S	*	.			trans	-103.1	3.9	180	-61.6	-36.9	0	0	0	113.1	Q385	Q385-D387 PolarHBondContact NE2-OD1 3.47Å; Q385-D387 PolarHBondContact O-N 3.22Å
388	G	91	Very high	86.5	Confident	40 Å²	40	72.5 Å²	72.5	41%	0.412	36%	0.361	S	S	.	.	S	Bend	trans	-76.8	-177.5	176.7	0	0	0	0	0	113.6	Y386 I390	Y386-G388 VanDerWaalsContact CE1-CA 3.41Å; Y386-G388 VanDerWaalsContact CE1-O 3.28Å; Y386-G388 WeakPolarHBondContact CE1-O 3.28Å; Y386-G388 VanDerWaalsContact CZ-CA 3.48Å; G388-I390 PolarHBondContact O-N 2.79Å
389	R	94.1	Very high	88.2	Confident	226 Å²	226	70.2 Å²	70.2	85%	0.853	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-72.9	122.8	179	-177.5	-179.5	175.3	-175.1	-2	111.1	Y386	Y386-R389 PolarHBondContact OH-O 3.43Å
390	I	96.6	Very high	89.8	Confident	67 Å²	67	65.9 Å²	65.9	34%	0.344	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-82.2	128.2	171.8	-58.5	168.3	0	0	0	108.8	Y373 Y386 G388 R394	Y373-I390 HydrophobicContact CD2-CD1 4.12Å; Y373-I390 HydrophobicContact CD2-CG1 4.34Å; Y373-I390 HydrophobicContact CE2-CD1 4Å; Y373-I390 HydrophobicContact CE2-CG1 4.3Å; Y373-I390 HydrophobicContact CE2-CG2 4.03Å; Y386-I390 HydrophobicContact CD1-CG1 4.47Å; Y386-I390 HydrophobicContact CE1-CG1 4.45Å; G388-I390 PolarHBondContact O-N 2.79Å; I390-R394 HydrophobicContact CG2-CG 4.38Å
391	P	96.9	Very high	90.7	Very high	14 Å²	14	68.3 Å²	68.3	9%	0.091	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-72.3	166.1	179.6	31.1	-36	0	0	0	112.3	P393 P395 D416 V417 F420	P391-P393 CarbonylContact O-C 3.49Å; P391-P395 HydrophobicContact CG-CG 3.79Å; P391-D416 HydrophobicContact CB-CB 4.44Å; P391-D416 WeakPolarHBondContact CB-OD2 3.5Å; P391-V417 HydrophobicContact CB-CG2 3.89Å; P391-V417 HydrophobicContact CG-CG2 4.13Å; P391-F420 HydrophobicContact CG-CB 3.79Å; P391-F420 HydrophobicContact CG-CD2 4.14Å; P391-F420 HydrophobicContact CG-CG 3.95Å
392	Y	94.7	Very high	91.4	Very high	147 Å²	147	66.4 Å²	66.4	58%	0.576	31%	0.314	S	S	*	.	S	Bend	trans	-117.7	138	179	178.8	-87.5	0	0	0	111.1	D404 V417	Y392-D404 WeakPolarHBondContact CE1-OD2 3.28Å; Y392-D404 PolarHBondContact OH-OD2 2.89Å; Y392-V417 WeakPolarHBondContact O-CG2 3.41Å
393	P	95.1	Very high	91.7	Very high	12 Å²	12	64.6 Å²	64.6	8%	0.078	31%	0.308	C	S	.	.	S	Bend	cis	-63.7	158.7	-5.5	30.4	-39	0	0	0	111.4	P391 P395 I407 F413 V417	P391-P393 CarbonylContact O-C 3.49Å; P393-P395 WeakPolarHBondContact O-CD 3.44Å; P393-I407 HydrophobicContact CB-CD1 4.27Å; P393-I407 VanDerWaalsContact CD-CD1 3.48Å; P393-I407 HydrophobicContact CG-CD1 3.55Å; P393-F413 HydrophobicContact CG-CD1 3.71Å; P393-F413 HydrophobicContact CG-CE1 3.74Å; P393-V417 WeakPolarHBondContact O-CG2 3.22Å
394	R	96	Very high	92	Very high	77 Å²	77	63.5 Å²	63.5	29%	0.291	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-59.2	126.8	-175.9	179.1	176	-175.5	153.5	3	110.3	N370 G371 Y373 I390 G396 T397	N370-R394 PolarHBondContact O-NH1 3.34Å; N370-R394 PolarHBondContact O-NH2 3.35Å; G371-R394 PolarHBondContact O-NH2 2.66Å; Y373-R394 WeakPolarHBondContact OH-CG 3.43Å; Y373-R394 PolarHBondContact OH-NE 3.45Å; I390-R394 HydrophobicContact CG2-CG 4.38Å; R394-G396 PolarHBondContact O-N 3.15Å; R394-T397 VanDerWaalsContact O-CB 3.23Å; R394-T397 WeakPolarHBondContact O-CB 3.46Å; R394-T397 PolarHBondContact O-N 2.79Å; R394-T397 PolarHBondContact O-OG1 2.87Å
395	P	97	Very high	91.9	Very high	2 Å²	2	65.6 Å²	65.6	1%	0.013	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	126.7	178	-31	37	0	0	0	113.3	Y373 P391 P393 V417 F420 I421	Y373-P395 HydrophobicContact CE1-CB 4.47Å; Y373-P395 PolarHBondContact OH-O 3.35Å; P391-P395 HydrophobicContact CG-CG 3.79Å; P393-P395 WeakPolarHBondContact O-CD 3.44Å; P395-V417 HydrophobicContact CG-CG1 4.25Å; P395-F420 HydrophobicContact CB-CD1 3.88Å; P395-F420 HydrophobicContact CB-CE1 4.39Å; P395-F420 HydrophobicContact CG-CB 4.24Å; P395-F420 HydrophobicContact CG-CD1 3.45Å; P395-F420 VanDerWaalsContact CG-CD1 3.45Å; P395-F420 HydrophobicContact CG-CE1 4.04Å; P395-F420 HydrophobicContact CG-CG 4.02Å; P395-I421 HydrophobicContact CB-CB 4.13Å; P395-I421 HydrophobicContact CB-CD1 4.46Å; P395-I421 HydrophobicContact CB-CG1 4.28Å
396	G	94.8	Very high	91.7	Very high	4 Å²	4	69 Å²	69	4%	0.041	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.4	3	-174.5	0	0	0	0	0	115.4	R394	R394-G396 PolarHBondContact O-N 3.15Å
397	T	94.4	Very high	91.6	Very high	40 Å²	40	67.4 Å²	67.4	25%	0.245	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-78.7	142.3	170.2	-53	0	0	0	0	110.2	R394 Y403 F413	R394-T397 VanDerWaalsContact O-CB 3.23Å; R394-T397 WeakPolarHBondContact O-CB 3.46Å; R394-T397 PolarHBondContact O-N 2.79Å; R394-T397 PolarHBondContact O-OG1 2.87Å; T397-Y403 HydrophobicContact CG2-CD2 4.48Å; T397-F413 WeakPolarHBondContact O-CZ 3.26Å
398	C	95.6	Very high	91.7	Very high	3 Å²	3	68.3 Å²	68.3	2%	0.02	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-79.5	140.5	175.7	-50.2	0	0	0	0	110.6	D256 D257 K259 C286 S400	D256-C398 WeakPolarHBondContact O-CB 3.4Å; D257-C398 PolarHBondContact OD1-SG 2.9Å; K259-C398 WeakPolarHBondContact CE-SG 3.35Å; C286-C398 HydrophobicContact CB-CB 3.71Å; C286-C398 WeakPolarHBondContact CB-SG 3.33Å; C286-C398 WeakPolarHBondContact SG-CA 3.25Å; C286-C398 WeakPolarHBondContact SG-CB 3.22Å; C286-C398 PolarHBondContact SG-N 3.23Å; C286-C398 VanDerWaalsContact SG-N 3.37Å; C286-C398 CovalentContact SG-SG 2.03Å; C286-C398 PolarHBondContact SG-SG 3.17Å; C398-S400 PolarHBondContact O-N 2.67Å
399	P	94.5	Very high	91.8	Very high	4 Å²	4	67.9 Å²	67.9	3%	0.026	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-62.5	124.3	172.8	27.5	-33.4	0	0	0	108.9	N288 I407 T410 F413	N288-P399 PolarHBondContact ND2-O 3.45Å; N288-P399 WeakPolarHBondContact OD1-CD 3.46Å; P399-I407 HydrophobicContact CB-CG2 4.13Å; P399-T410 HydrophobicContact CG-CG2 3.76Å; P399-F413 HydrophobicContact CB-CZ 4.46Å
400	S	90.4	Very high	91.9	Very high	4 Å²	4	57.1 Å²	57.1	3%	0.028	28%	0.282	C	S	.	.			trans	-153.4	139.7	174.9	-173.9	0	0	0	0	111.5	N254 D256 C398 T402 Y403 D404	N254-S400 PolarHBondContact ND2-OG 3.31Å; D256-S400 VanDerWaalsContact CB-OG 3.28Å; D256-S400 WeakPolarHBondContact CB-OG 3.48Å; D256-S400 PolarHBondContact OD2-OG 2.76Å; C398-S400 PolarHBondContact O-N 2.67Å; S400-T402 PolarHBondContact O-N 3.21Å; S400-T402 VanDerWaalsContact O-N 3.09Å; S400-T402 PolarHBondContact OG-N 2.64Å; S400-Y403 PolarHBondContact O-N 3.03Å; S400-Y403 VanDerWaalsContact O-N 3.11Å; S400-D404 PolarHBondContact O-N 2.85Å; S400-D404 VanDerWaalsContact O-N 3.11Å
401	K	81.8	Confident	91.8	Very high	146 Å²	146	58.7 Å²	58.7	64%	0.635	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-22.2	177.1	-62.8	178.4	-174.9	169.8	0	113.2
402	T	83.5	Confident	91.7	Very high	108 Å²	108	62 Å²	62	66%	0.663	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-34.9	179.4	-52.6	0	0	0	0	112.1	N254 S400	N254-T402 PolarHBondContact ND2-OG1 3.46Å; S400-T402 PolarHBondContact O-N 3.21Å; S400-T402 VanDerWaalsContact O-N 3.09Å; S400-T402 PolarHBondContact OG-N 2.64Å
403	Y	83.2	Confident	91.8	Very high	115 Å²	115	55.8 Å²	55.8	45%	0.451	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-45.9	-179.6	-62.2	-60	0	0	0	111.7	D257 T397 S400	D257-Y403 HydrophobicContact CB-CE2 4.42Å; D257-Y403 PolarHBondContact OD2-OH 2.77Å; T397-Y403 HydrophobicContact CG2-CD2 4.48Å; S400-Y403 PolarHBondContact O-N 3.03Å; S400-Y403 VanDerWaalsContact O-N 3.11Å
404	D	87.1	Confident	91.8	Very high	26 Å²	26	57.7 Å²	57.7	14%	0.139	29%	0.289	C	S	.	.			trans	-147.4	112.3	178.7	-164.9	-37.9	0	0	0	110.3	Y392 S400 L406 I407	Y392-D404 WeakPolarHBondContact CE1-OD2 3.28Å; Y392-D404 PolarHBondContact OH-OD2 2.89Å; S400-D404 PolarHBondContact O-N 2.85Å; S400-D404 VanDerWaalsContact O-N 3.11Å; D404-L406 PolarHBondContact O-N 2.86Å; D404-L406 VanDerWaalsContact OD1-CB 3.31Å; D404-L406 WeakPolarHBondContact OD1-CB 3.31Å; D404-L406 PolarHBondContact OD1-N 2.67Å; D404-I407 HydrophobicContact CB-CB 4.29Å; D404-I407 HydrophobicContact CB-CD1 4.3Å; D404-I407 HydrophobicContact CB-CG1 4.23Å; D404-I407 PolarHBondContact O-N 3.24Å
405	P	86.9	Confident	91.8	Very high	93 Å²	93	58.6 Å²	58.6	60%	0.604	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-16.4	-177.6	28.7	-35.2	0	0	0	113.5
406	L	89.8	Confident	91.7	Very high	143 Å²	143	62.8 Å²	62.8	75%	0.749	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-26.3	177.8	-60.7	173.2	0	0	0	112	D404	D404-L406 PolarHBondContact O-N 2.86Å; D404-L406 VanDerWaalsContact OD1-CB 3.31Å; D404-L406 WeakPolarHBondContact OD1-CB 3.31Å; D404-L406 PolarHBondContact OD1-N 2.67Å
407	I	90.8	Very high	91.8	Very high	16 Å²	16	62.7 Å²	62.7	8%	0.082	32%	0.321	C	S	.	.			trans	-101.4	94.2	-175.3	-56.2	-178.2	0	0	0	109.2	P393 P399 D404 D412 F413	P393-I407 HydrophobicContact CB-CD1 4.27Å; P393-I407 VanDerWaalsContact CD-CD1 3.48Å; P393-I407 HydrophobicContact CG-CD1 3.55Å; P399-I407 HydrophobicContact CB-CG2 4.13Å; D404-I407 HydrophobicContact CB-CB 4.29Å; D404-I407 HydrophobicContact CB-CD1 4.3Å; D404-I407 HydrophobicContact CB-CG1 4.23Å; D404-I407 PolarHBondContact O-N 3.24Å; I407-D412 HydrophobicContact CG2-CB 4.34Å; I407-F413 HydrophobicContact CD1-CD1 4.47Å; I407-F413 HydrophobicContact CG2-CD1 3.67Å; I407-F413 HydrophobicContact CG2-CE1 3.58Å
408	K	91.3	Very high	91.9	Very high	147 Å²	147	61.1 Å²	61.1	64%	0.639	31%	0.311	S	S	*	.			trans	-94.2	-23.2	-178	-64.1	176.7	-175	171	0	112.3	D412	K408-D412 PolarHBondContact N-OD2 3.17Å
409	S	94	Very high	91.8	Very high	31 Å²	31	63.2 Å²	63.2	22%	0.217	33%	0.326	C	S	.	.	S	Bend	trans	-141.4	157.7	-177.6	180	0	0	0	0	110.6	V290 R411 D412	V290-S409 WeakPolarHBondContact CG2-OG 3.23Å; S409-R411 PolarHBondContact O-N 3.06Å; S409-R411 PolarHBondContact OG-N 3.02Å; S409-D412 PolarHBondContact N-OD2 3.02Å; S409-D412 WeakPolarHBondContact O-CB 3.28Å; S409-D412 PolarHBondContact O-N 3.49Å
410	T	95.4	Very high	91.8	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-62.4	-18.7	170.8	56.6	0	0	0	0	113.2	D289 V290 G291 T301 T302 P399 D412 F413	D289-T410 HydrophobicContact CB-CG2 4.12Å; D289-T410 PolarHBondContact OD1-OG1 3.16Å; V290-T410 VanDerWaalsContact CG2-OG1 3.26Å; V290-T410 WeakPolarHBondContact CG2-OG1 3.49Å; V290-T410 PolarHBondContact N-OG1 3.43Å; G291-T410 PolarHBondContact N-OG1 3.34Å; G291-T410 PolarHBondContact O-OG1 2.97Å; T301-T410 VanDerWaalsContact OG1-CB 3.25Å; T301-T410 WeakPolarHBondContact OG1-CB 3.35Å; T301-T410 WeakPolarHBondContact OG1-CG2 3.18Å; T302-T410 HydrophobicContact CG2-CG2 4.27Å; P399-T410 HydrophobicContact CG-CG2 3.76Å; T410-D412 PolarHBondContact O-N 3.3Å; T410-F413 HydrophobicContact CG2-CD2 4.17Å; T410-F413 HydrophobicContact CG2-CE2 3.48Å; T410-F413 VanDerWaalsContact CG2-CE2 3.48Å; T410-F413 HydrophobicContact CG2-CZ 3.99Å; T410-F413 WeakPolarHBondContact O-CB 3.47Å; T410-F413 WeakPolarHBondContact O-CD2 3.39Å; T410-F413 WeakPolarHBondContact O-CG 3.43Å; T410-F413 PolarHBondContact O-N 2.67Å
411	R	94.9	Very high	91.9	Very high	101 Å²	101	63.5 Å²	63.5	38%	0.381	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-69.6	-20.9	171.3	-69.2	-179.8	-178.1	178.6	4.7	113.2	V290 Q293 S409 F413	V290-R411 HydrophobicContact CG2-CG 4.12Å; Q293-R411 HydrophobicContact CB-CB 4.2Å; Q293-R411 WeakPolarHBondContact CB-O 3.5Å; S409-R411 PolarHBondContact O-N 3.06Å; S409-R411 PolarHBondContact OG-N 3.02Å; R411-F413 VanDerWaalsContact C-N 3.28Å
412	D	95.1	Very high	92.4	Very high	82 Å²	82	59.4 Å²	59.4	44%	0.439	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-85.1	-4.2	176.8	-52.9	-38	0	0	0	111.9	I407 K408 S409 T410	I407-D412 HydrophobicContact CG2-CB 4.34Å; K408-D412 PolarHBondContact N-OD2 3.17Å; S409-D412 PolarHBondContact N-OD2 3.02Å; S409-D412 WeakPolarHBondContact O-CB 3.28Å; S409-D412 PolarHBondContact O-N 3.49Å; T410-D412 PolarHBondContact O-N 3.3Å
413	F	96	Very high	92.6	Very high	17 Å²	17	61.3 Å²	61.3	8%	0.075	30%	0.303	C	S	.	.	S	Bend	trans	-64.7	135	178.4	-70.6	-30.4	0	0	0	111.7	T302 P393 T397 P399 I407 T410 R411 I418	T302-F413 HydrophobicContact CG2-CE2 4.2Å; P393-F413 HydrophobicContact CG-CD1 3.71Å; P393-F413 HydrophobicContact CG-CE1 3.74Å; T397-F413 WeakPolarHBondContact O-CZ 3.26Å; P399-F413 HydrophobicContact CB-CZ 4.46Å; I407-F413 HydrophobicContact CD1-CD1 4.47Å; I407-F413 HydrophobicContact CG2-CD1 3.67Å; I407-F413 HydrophobicContact CG2-CE1 3.58Å; T410-F413 HydrophobicContact CG2-CD2 4.17Å; T410-F413 HydrophobicContact CG2-CE2 3.48Å; T410-F413 VanDerWaalsContact CG2-CE2 3.48Å; T410-F413 HydrophobicContact CG2-CZ 3.99Å; T410-F413 WeakPolarHBondContact O-CB 3.47Å; T410-F413 WeakPolarHBondContact O-CD2 3.39Å; T410-F413 WeakPolarHBondContact O-CG 3.43Å; T410-F413 PolarHBondContact O-N 2.67Å; R411-F413 VanDerWaalsContact C-N 3.28Å; F413-I418 HydrophobicContact CB-CD1 3.94Å; F413-I418 HydrophobicContact CB-CG1 4.19Å; F413-I418 HydrophobicContact CD2-CD1 4.1Å
414	P	95.8	Very high	93.1	Very high	52 Å²	52	56.7 Å²	56.7	34%	0.338	29%	0.286	S	S	.	.			trans	-56.4	149.7	173.5	-29.1	38.2	0	0	0	113.9	D416 V417 I418	P414-D416 WeakPolarHBondContact CB-OD1 3.37Å; P414-D416 PolarHBondContact O-N 2.89Å; P414-V417 HydrophobicContact CB-CG2 4.29Å; P414-V417 HydrophobicContact CG-CG2 4.46Å; P414-V417 WeakPolarHBondContact O-CB 3.22Å; P414-V417 PolarHBondContact O-N 2.79Å; P414-V417 VanDerWaalsContact O-N 3.14Å; P414-I418 PolarHBondContact O-N 3.44Å
415	D	95.2	Very high	93.3	Very high	97 Å²	97	55.5 Å²	55.5	52%	0.519	28%	0.279	S	S	.	.	H	α-helix	trans	-60.4	-30.7	-177.9	-78.3	-28.7	0	0	0	112.7	R294 I418 S419	R294-D415 IonicContact NH1-OD2 3.39Å; D415-I418 PolarHBondContact O-N 3.12Å; D415-S419 VanDerWaalsContact O-CB 3.23Å; D415-S419 WeakPolarHBondContact O-CB 3.48Å; D415-S419 PolarHBondContact O-N 3.07Å
416	D	95.8	Very high	93.7	Very high	89 Å²	89	51.3 Å²	51.3	48%	0.476	25%	0.252	S	S	.	.	H	α-helix	trans	-69.7	-37.9	177.2	65.5	-22.1	0	0	0	112.3	P391 P414 S419 F420	P391-D416 HydrophobicContact CB-CB 4.44Å; P391-D416 WeakPolarHBondContact CB-OD2 3.5Å; P414-D416 WeakPolarHBondContact CB-OD1 3.37Å; P414-D416 PolarHBondContact O-N 2.89Å; D416-S419 PolarHBondContact O-N 3.36Å; D416-F420 WeakPolarHBondContact O-CB 2.87Å; D416-F420 PolarHBondContact O-N 3.19Å
417	V	96.5	Very high	94	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.018	22%	0.218	C	C	.	.	H	α-helix	trans	-61.2	-47.9	171.9	177.2	0	0	0	0	110.7	P391 Y392 P393 P395 P414 F420 I421	P391-V417 HydrophobicContact CB-CG2 3.89Å; P391-V417 HydrophobicContact CG-CG2 4.13Å; Y392-V417 WeakPolarHBondContact O-CG2 3.41Å; P393-V417 WeakPolarHBondContact O-CG2 3.22Å; P395-V417 HydrophobicContact CG-CG1 4.25Å; P414-V417 HydrophobicContact CB-CG2 4.29Å; P414-V417 HydrophobicContact CG-CG2 4.46Å; P414-V417 WeakPolarHBondContact O-CB 3.22Å; P414-V417 PolarHBondContact O-N 2.79Å; P414-V417 VanDerWaalsContact O-N 3.14Å; V417-F420 PolarHBondContact O-N 3.29Å; V417-I421 PolarHBondContact O-N 2.97Å
418	I	95.7	Very high	94.2	Very high	6 Å²	6	49.3 Å²	49.3	3%	0.031	24%	0.235	C	C	.	.	H	α-helix	trans	-65.1	-42.2	179.1	-61.3	-60.1	0	0	0	111.3	L296 T301 F413 P414 D415 F420 K422	L296-I418 HydrophobicContact CB-CG2 4.41Å; L296-I418 HydrophobicContact CD1-CG2 3.97Å; L296-I418 HydrophobicContact CG-CG2 4.06Å; T301-I418 HydrophobicContact CG2-CD1 3.63Å; F413-I418 HydrophobicContact CB-CD1 3.94Å; F413-I418 HydrophobicContact CB-CG1 4.19Å; F413-I418 HydrophobicContact CD2-CD1 4.1Å; P414-I418 PolarHBondContact O-N 3.44Å; D415-I418 PolarHBondContact O-N 3.12Å; I418-F420 VanDerWaalsContact C-N 3.31Å; I418-F420 PolarHBondContact O-N 3.46Å; I418-K422 WeakPolarHBondContact O-CB 3.28Å; I418-K422 PolarHBondContact O-N 3.29Å
419	S	93.7	Very high	94.5	Very high	47 Å²	47	47.9 Å²	47.9	33%	0.329	23%	0.228	S	C	.	.	H	α-helix	trans	-64.9	-36.8	176.6	-157.6	0	0	0	0	111.9	D415 D416 R423	D415-S419 VanDerWaalsContact O-CB 3.23Å; D415-S419 WeakPolarHBondContact O-CB 3.48Å; D415-S419 PolarHBondContact O-N 3.07Å; D416-S419 PolarHBondContact O-N 3.36Å; S419-R423 PolarHBondContact OG-NH2 2.91Å
420	F	94.8	Very high	94.7	Very high	14 Å²	14	47.9 Å²	47.9	6%	0.061	23%	0.228	C	C	.	.	H	α-helix	trans	-66.6	-55	178.2	-172.2	-81.2	0	0	0	111.5	Y373 Y386 P391 P395 D416 V417 I418 K422 R423 H424	Y373-F420 HydrophobicContact CD1-CE1 4.06Å; Y373-F420 AromaticContact CD2-CE1 3.78Å; Y373-F420 HydrophobicContact CD2-CE1 3.78Å; Y373-F420 AromaticContact CD2-CZ 3.87Å; Y373-F420 HydrophobicContact CD2-CZ 3.87Å; Y373-F420 HydrophobicContact CE1-CE1 4.27Å; Y373-F420 HydrophobicContact CE2-CE1 4.01Å; Y373-F420 HydrophobicContact CE2-CZ 4.37Å; Y373-F420 AromaticContact CG-CE1 3.83Å; Y373-F420 HydrophobicContact CG-CE1 3.83Å; Y373-F420 HydrophobicContact CG-CZ 4.12Å; Y386-F420 HydrophobicContact CD1-CE2 4.03Å; Y386-F420 AromaticContact CD1-CZ 3.96Å; Y386-F420 HydrophobicContact CD1-CZ 3.96Å; Y386-F420 AromaticContact CE1-CE2 3.5Å; Y386-F420 HydrophobicContact CE1-CE2 3.5Å; Y386-F420 AromaticContact CE1-CZ 3.9Å; Y386-F420 HydrophobicContact CE1-CZ 3.9Å; Y386-F420 HydrophobicContact CE2-CE2 4.38Å; Y386-F420 AromaticContact CZ-CE2 3.7Å; P391-F420 HydrophobicContact CG-CB 3.79Å; P391-F420 HydrophobicContact CG-CD2 4.14Å; P391-F420 HydrophobicContact CG-CG 3.95Å; P395-F420 HydrophobicContact CB-CD1 3.88Å; P395-F420 HydrophobicContact CB-CE1 4.39Å; P395-F420 HydrophobicContact CG-CB 4.24Å; P395-F420 HydrophobicContact CG-CD1 3.45Å; P395-F420 VanDerWaalsContact CG-CD1 3.45Å; P395-F420 HydrophobicContact CG-CE1 4.04Å; P395-F420 HydrophobicContact CG-CG 4.02Å; D416-F420 WeakPolarHBondContact O-CB 2.87Å; D416-F420 PolarHBondContact O-N 3.19Å; V417-F420 PolarHBondContact O-N 3.29Å; I418-F420 VanDerWaalsContact C-N 3.31Å; I418-F420 PolarHBondContact O-N 3.46Å; F420-K422 PolarHBondContact O-N 2.88Å; F420-R423 PolarHBondContact O-N 2.77Å; F420-H424 HydrophobicContact CD1-CB 3.78Å; F420-H424 AromaticContact CD1-ND1 3.93Å; F420-H424 AromaticContact CD2-ND1 3.84Å; F420-H424 HydrophobicContact CE1-CB 3.43Å; F420-H424 VanDerWaalsContact CE1-CB 3.43Å; F420-H424 AromaticContact CE1-CG 3.75Å; F420-H424 AromaticContact CE1-ND1 3.99Å; F420-H424 AromaticContact CE2-ND1 3.87Å; F420-H424 AromaticContact CG-ND1 3.87Å; F420-H424 HydrophobicContact CZ-CB 3.96Å; F420-H424 AromaticContact CZ-CG 3.8Å; F420-H424 AromaticContact CZ-ND1 3.95Å; F420-H424 WeakPolarHBondContact O-CB 3.41Å; F420-H424 PolarHBondContact O-N 3.02Å; F420-H424 PolarHBondContact O-ND1 2.84Å
421	I	93.7	Very high	94.8	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-64.3	-31	-174.5	-155.8	174.5	0	0	0	112.3	L296 T301 L304 P395 V417 R423 H424	L296-I421 HydrophobicContact CD1-CG2 4.07Å; T301-I421 WeakPolarHBondContact O-CD1 3.5Å; L304-I421 HydrophobicContact CD2-CD1 4.3Å; L304-I421 HydrophobicContact CD2-CG1 4.23Å; P395-I421 HydrophobicContact CB-CB 4.13Å; P395-I421 HydrophobicContact CB-CD1 4.46Å; P395-I421 HydrophobicContact CB-CG1 4.28Å; V417-I421 PolarHBondContact O-N 2.97Å; I421-R423 PolarHBondContact O-N 3.02Å; I421-H424 PolarHBondContact O-N 3.41Å
422	K	91.4	Very high	94.9	Very high	59 Å²	59	49.2 Å²	49.2	26%	0.257	24%	0.235	S	C	.	.	H	α-helix	trans	-55.8	-38.5	174.8	-172.9	-178.8	176.5	-157.9	0	112.2	E234 W237 L296 I418 F420	E234-K422 HydrophobicContact CG-CG 4.49Å; E234-K422 WeakPolarHBondContact OE1-CE 3.26Å; E234-K422 IonicContact OE1-NZ 3.55Å; E234-K422 PolarHBondContact OE1-NZ 2.88Å; E234-K422 VanDerWaalsContact OE1-NZ 3.11Å; W237-K422 PolarHBondContact NE1-O 2.8Å; L296-K422 HydrophobicContact CD1-CB 4.47Å; L296-K422 HydrophobicContact CD2-CD 4.46Å; L296-K422 HydrophobicContact CD2-CG 4.37Å; I418-K422 WeakPolarHBondContact O-CB 3.28Å; I418-K422 PolarHBondContact O-N 3.29Å; F420-K422 PolarHBondContact O-N 2.88Å
423	R	88.8	Confident	95	Very high	149 Å²	149	45.7 Å²	45.7	56%	0.562	22%	0.216	S	C	*	.	H	α-helix	trans	-97.3	-19.3	-178	-68.7	-174.2	-75.2	-111.6	-5.2	114.1	S419 F420 I421	S419-R423 PolarHBondContact OG-NH2 2.91Å; F420-R423 PolarHBondContact O-N 2.77Å; I421-R423 PolarHBondContact O-N 3.02Å
424	H	92	Very high	94.9	Very high	17 Å²	17	49.4 Å²	49.4	8%	0.079	24%	0.24	C	C	.	.			trans	-125.4	55	-171.1	-58.6	92.6	0	0	0	112.3	Y373 H375 Y386 F420 I421 V426	Y373-H424 HydrophobicContact CD1-CB 4.4Å; Y373-H424 WeakPolarHBondContact CD1-O 3.41Å; H375-H424 WeakPolarHBondContact CB-NE2 3.29Å; Y386-H424 AromaticContact CD2-NE2 3.71Å; Y386-H424 AromaticContact CE2-NE2 3.91Å; F420-H424 HydrophobicContact CD1-CB 3.78Å; F420-H424 AromaticContact CD1-ND1 3.93Å; F420-H424 AromaticContact CD2-ND1 3.84Å; F420-H424 HydrophobicContact CE1-CB 3.43Å; F420-H424 VanDerWaalsContact CE1-CB 3.43Å; F420-H424 AromaticContact CE1-CG 3.75Å; F420-H424 AromaticContact CE1-ND1 3.99Å; F420-H424 AromaticContact CE2-ND1 3.87Å; F420-H424 AromaticContact CG-ND1 3.87Å; F420-H424 HydrophobicContact CZ-CB 3.96Å; F420-H424 AromaticContact CZ-CG 3.8Å; F420-H424 AromaticContact CZ-ND1 3.95Å; F420-H424 WeakPolarHBondContact O-CB 3.41Å; F420-H424 PolarHBondContact O-N 3.02Å; F420-H424 PolarHBondContact O-ND1 2.84Å; I421-H424 PolarHBondContact O-N 3.41Å; H424-V426 VanDerWaalsContact C-N 3.32Å
425	S	92.8	Very high	94.5	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.007	25%	0.251	C	S	.	.			trans	-83	-6.6	178.4	57.9	0	0	0	0	114	L304 K305	L304-S425 CarbonylContact C-O 3.54Å; L304-S425 WeakPolarHBondContact CA-O 3.45Å; K305-S425 PolarHBondContact N-O 3.2Å
426	V	94.1	Very high	94.2	Very high	6 Å²	6	48.1 Å²	48.1	4%	0.036	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	132.2	-175.7	-174.2	0	0	0	0	110.7	K305 A374 W383 H424	K305-V426 HydrophobicContact CD-CG2 4.41Å; K305-V426 VanDerWaalsContact CE-CG2 3.44Å; K305-V426 HydrophobicContact CG-CG2 4.11Å; K305-V426 WeakPolarHBondContact O-CA 3.29Å; A374-V426 HydrophobicContact CB-CB 4.24Å; A374-V426 HydrophobicContact CB-CG1 4.17Å; A374-V426 PolarHBondContact N-O 2.88Å; W383-V426 HydrophobicContact CH2-CB 4.16Å; W383-V426 HydrophobicContact CH2-CG2 3.76Å; W383-V426 HydrophobicContact CZ2-CG2 4.21Å; W383-V426 HydrophobicContact CZ3-CB 4.13Å; W383-V426 HydrophobicContact CZ3-CG2 4.24Å; H424-V426 VanDerWaalsContact C-N 3.32Å
427	M	97	Very high	94	Very high	5 Å²	5	44.4 Å²	44.4	3%	0.025	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	142.2	171.7	-51.5	-46.4	-61.6	0	0	110.9	L304 K305 A306 V368 F369 G371 Y373	L304-M427 HydrophobicContact CB-SD 4.34Å; L304-M427 HydrophobicContact CD1-SD 4.02Å; L304-M427 HydrophobicContact CD2-SD 4.2Å; L304-M427 HydrophobicContact CG-SD 4.43Å; K305-M427 WeakPolarHBondContact O-CG 3.18Å; K305-M427 PolarHBondContact O-N 3.02Å; A306-M427 HydrophobicContact CB-CB 3.91Å; A306-M427 HydrophobicContact CB-CG 3.95Å; V368-M427 HydrophobicContact CG1-CB 3.92Å; V368-M427 HydrophobicContact CG1-CG 4.35Å; V368-M427 WeakPolarHBondContact O-CE 3.48Å; F369-M427 HydrophobicContact CD1-CG 3.76Å; F369-M427 HydrophobicContact CD1-SD 4.27Å; F369-M427 HydrophobicContact CE1-CG 4.23Å; F369-M427 WeakPolarHBondContact O-CE 3.28Å; G371-M427 WeakPolarHBondContact O-CE 3.46Å; Y373-M427 HydrophobicContact CD1-CE 4.05Å; Y373-M427 HydrophobicContact CD1-SD 3.93Å; Y373-M427 HydrophobicContact CE1-CE 4.12Å; Y373-M427 HydrophobicContact CE1-SD 4.04Å; Y373-M427 HydrophobicContact CG-CE 4.45Å
428	Y	95.3	Very high	93.9	Very high	111 Å²	111	45.3 Å²	45.3	44%	0.435	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	-40.7	-178.6	178	-108.1	0	0	0	112.7	P372 A374 Q385	P372-Y428 HydrophobicContact CG-CD1 4.29Å; P372-Y428 WeakPolarHBondContact O-CB 3.21Å; P372-Y428 PolarHBondContact O-N 3.12Å; A374-Y428 HydrophobicContact CB-CD2 4.46Å; Q385-Y428 HydrophobicContact CB-CD1 3.77Å; Q385-Y428 HydrophobicContact CB-CD2 4.06Å; Q385-Y428 HydrophobicContact CB-CE1 3.8Å; Q385-Y428 HydrophobicContact CB-CE2 4.09Å; Q385-Y428 HydrophobicContact CB-CG 3.9Å; Q385-Y428 HydrophobicContact CG-CD1 3.78Å; Q385-Y428 HydrophobicContact CG-CE1 4.17Å; Q385-Y428 HydrophobicContact CG-CG 4.07Å; Q385-Y428 VanDerWaalsContact N-CE2 3.35Å
429	K	97.3	Very high	93.8	Very high	117 Å²	117	45.9 Å²	45.9	51%	0.509	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	147.1	177.3	-66.9	-173.4	177.5	-176.1	0	111.1	V368 P372	V368-K429 HydrophobicContact CG1-CB 4.24Å; V368-K429 VanDerWaalsContact CG1-O 3.24Å; V368-K429 WeakPolarHBondContact CG1-O 3.27Å; V368-K429 HydrophobicContact CG2-CB 4.17Å; P372-K429 HydrophobicContact CG-CG 4.27Å
430	S	97.1	Very high	93.8	Very high	31 Å²	31	43.7 Å²	43.7	22%	0.217	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	153.3	171.6	-58.5	0	0	0	0	110.8
431	I	98.5	Very high	93.7	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	125.1	173	-59.8	83.7	0	0	0	108.1	V282 A306 R307 L308 I309 Y360 I365 V368	V282-I431 HydrophobicContact CG1-CD1 3.97Å; A306-I431 HydrophobicContact CB-CD1 3.29Å; R307-I431 WeakPolarHBondContact O-CD1 3.37Å; R307-I431 PolarHBondContact O-N 3.29Å; L308-I431 HydrophobicContact CD2-CB 3.95Å; L308-I431 HydrophobicContact CD2-CG2 3.99Å; I309-I431 PolarHBondContact N-O 3.16Å; Y360-I431 HydrophobicContact CD1-CG2 3.69Å; Y360-I431 HydrophobicContact CE1-CG2 4.33Å; Y360-I431 HydrophobicContact CG-CG2 4.42Å; I365-I431 HydrophobicContact CG1-CG1 4.23Å; I365-I431 HydrophobicContact CG1-CG2 3.95Å; V368-I431 HydrophobicContact CB-CD1 4.08Å; V368-I431 HydrophobicContact CB-CG1 4.05Å; V368-I431 HydrophobicContact CG1-CD1 3.78Å; V368-I431 HydrophobicContact CG1-CG1 4.29Å; V368-I431 HydrophobicContact CG2-CD1 4.27Å; V368-I431 HydrophobicContact CG2-CG1 3.89Å
432	Y	97.4	Very high	93.6	Very high	129 Å²	129	48.1 Å²	48.1	51%	0.506	25%	0.248	S	C	.	.			trans	-104.7	153.7	177.1	-71	-91	0	0	0	110.6	I309 Y360	I309-Y432 HydrophobicContact CB-CD1 4.04Å; I309-Y432 HydrophobicContact CB-CE1 4.1Å; I309-Y432 HydrophobicContact CG1-CD1 4.42Å; I309-Y432 HydrophobicContact CG1-CE1 4.11Å; I309-Y432 HydrophobicContact CG2-CD1 3.96Å; I309-Y432 HydrophobicContact CG2-CE1 3.83Å; Y360-Y432 WeakPolarHBondContact CD1-O 3.17Å
433	P	96.6	Very high	93.5	Very high	7 Å²	7	49.7 Å²	49.7	5%	0.045	26%	0.258	C	S	.	.			trans	-70.1	152.8	178.1	30.7	-34.3	0	0	0	110.6	I309 C358 V359 Y360 A435 G436	I309-P433 WeakPolarHBondContact O-CD 3.49Å; C358-P433 HydrophobicContact CB-CB 4.1Å; V359-P433 CarbonylContact O-C 3.56Å; V359-P433 WeakPolarHBondContact O-CA 3.46Å; V359-P433 WeakPolarHBondContact O-CB 3.49Å; Y360-P433 HydrophobicContact CD1-CB 4.37Å; Y360-P433 HydrophobicContact CE1-CB 4.17Å; P433-A435 PolarHBondContact O-N 2.98Å; P433-G436 PolarHBondContact O-N 3.04Å
434	V	93.3	Very high	93.2	Very high	95 Å²	95	49.8 Å²	49.8	58%	0.576	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-36.9	-175.5	178.9	0	0	0	0	111.9	V359 G436	V359-V434 PolarHBondContact O-N 3.38Å; V434-G436 VanDerWaalsContact C-N 3.33Å
435	A	87.7	Confident	93	Very high	70 Å²	70	50.4 Å²	50.4	58%	0.579	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	4.4	179.3	0	0	0	0	0	114	P433 G437	P433-A435 PolarHBondContact O-N 2.98Å; A435-G437 PolarHBondContact O-N 3.18Å; A435-G437 VanDerWaalsContact O-N 3.15Å
436	G	89.9	Confident	92.8	Very high	52 Å²	52	55.8 Å²	55.8	54%	0.536	30%	0.303	S	S	.	.	S	Bend	trans	73.8	-8.7	-175.1	0	0	0	0	0	115.3	P433 V434	P433-G436 PolarHBondContact O-N 3.04Å; V434-G436 VanDerWaalsContact C-N 3.33Å
437	G	91.6	Very high	92.7	Very high	12 Å²	12	55.8 Å²	55.8	12%	0.124	30%	0.303	C	S	.	.	S	Bend	trans	-157	-170.6	172.7	0	0	0	0	0	112.2	A435	A435-G437 PolarHBondContact O-N 3.18Å; A435-G437 VanDerWaalsContact O-N 3.15Å
438	P	94	Very high	92.6	Very high	22 Å²	22	58.1 Å²	58.1	14%	0.143	31%	0.311	C	S	.	.			trans	-61.7	140.9	177.5	-22.4	33.3	0	0	0	112.8	S311 I312 A356 V357	S311-P438 WeakPolarHBondContact O-CD 3.49Å; I312-P438 HydrophobicContact CD1-CG 4.4Å; I312-P438 HydrophobicContact CG1-CG 3.82Å; A356-P438 HydrophobicContact CB-CB 3.98Å; A356-P438 HydrophobicContact CB-CG 3.95Å; V357-P438 CarbonylContact O-C 3.58Å; V357-P438 WeakPolarHBondContact O-CA 3.28Å
439	T	92.4	Very high	92.7	Very high	18 Å²	18	52.9 Å²	52.9	11%	0.11	29%	0.291	C	S	.	.	S	Bend	trans	-83.4	-21.5	171.6	-53.1	0	0	0	0	112	V357 V359 S481 E491	V357-T439 PolarHBondContact O-N 3.01Å; V359-T439 HydrophobicContact CG2-CG2 4.46Å; V359-T439 WeakPolarHBondContact CG2-OG1 3.17Å; T439-S481 VanDerWaalsContact CG2-OG 3.25Å; T439-S481 WeakPolarHBondContact CG2-OG 3.33Å; T439-E491 VanDerWaalsContact O-CG 3.25Å; T439-E491 WeakPolarHBondContact O-CG 3.45Å
440	F	94.4	Very high	92.7	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	142.8	169.9	176.6	-108.6	0	0	0	110.1	A356 V357 R442 L449 M467 L469 L477 V479 E491 V493	A356-F440 CarbonylContact C-O 3.48Å; A356-F440 VanDerWaalsContact CA-O 3.32Å; A356-F440 WeakPolarHBondContact CA-O 3.42Å; V357-F440 HydrophobicContact CB-CB 4.1Å; V357-F440 HydrophobicContact CG2-CB 4.21Å; V357-F440 HydrophobicContact CG2-CD1 4.12Å; V357-F440 PolarHBondContact N-O 3.36Å; V357-F440 PolarHBondContact O-N 2.93Å; F440-R442 HydrophobicContact CE1-CB 4.24Å; F440-R442 HydrophobicContact CZ-CB 4.48Å; F440-L449 HydrophobicContact CD1-CD1 4.24Å; F440-L449 HydrophobicContact CE1-CD1 4.13Å; F440-M467 HydrophobicContact CB-CE 4.1Å; F440-L469 HydrophobicContact CD1-CD1 3.43Å; F440-L469 VanDerWaalsContact CD1-CD1 3.43Å; F440-L469 HydrophobicContact CE1-CD1 3.44Å; F440-L469 VanDerWaalsContact CE1-CD1 3.44Å; F440-L469 HydrophobicContact CG-CD1 4.31Å; F440-L469 HydrophobicContact CZ-CD1 4.34Å; F440-L477 HydrophobicContact CE1-CD1 4.38Å; F440-L477 HydrophobicContact CZ-CD1 4.3Å; F440-V479 HydrophobicContact CD2-CG1 3.72Å; F440-V479 HydrophobicContact CE1-CG2 4.48Å; F440-V479 HydrophobicContact CE2-CG1 3.95Å; F440-V479 HydrophobicContact CE2-CG2 4.12Å; F440-V479 HydrophobicContact CG-CG1 4.26Å; F440-V479 HydrophobicContact CZ-CG2 4.09Å; F440-E491 HydrophobicContact CD2-CB 4.26Å; F440-E491 HydrophobicContact CD2-CG 4.38Å; F440-E491 WeakPolarHBondContact CD2-OE2 3.48Å; F440-V493 HydrophobicContact CE2-CG2 3.71Å; F440-V493 HydrophobicContact CZ-CG2 4.1Å
441	K	92.9	Very high	92.8	Very high	75 Å²	75	48.1 Å²	48.1	33%	0.326	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	142.4	174.8	63.7	-168.1	171.3	-165	0	113.1	N41 I312 E491	N41-K441 PolarHBondContact ND2-O 2.79Å; I312-K441 HydrophobicContact CD1-CD 3.7Å; K441-E491 PolarHBondContact N-OE2 2.8Å; K441-E491 VanDerWaalsContact N-OE2 3.16Å
442	R	91.4	Very high	92.8	Very high	33 Å²	33	48.2 Å²	48.2	13%	0.125	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	109.5	174.7	-160.1	69.5	167.5	160.7	-5.3	109.4	N41 S355 F440 V445 Y447 E496	N41-R442 PolarHBondContact O-NH1 2.91Å; S355-R442 PolarHBondContact N-O 2.91Å; S355-R442 PolarHBondContact O-N 2.8Å; F440-R442 HydrophobicContact CE1-CB 4.24Å; F440-R442 HydrophobicContact CZ-CB 4.48Å; R442-V445 HydrophobicContact CG-CB 4.38Å; R442-V445 HydrophobicContact CG-CG1 3.96Å; R442-V445 HydrophobicContact CG-CG2 3.52Å; R442-Y447 HydrophobicContact CG-CE2 4Å; R442-Y447 PolarHBondContact NE-OH 2.77Å; R442-Y447 PolarHBondContact NH2-OH 2.97Å; R442-E496 IonicContact NH2-OE2 2.86Å
443	I	88.8	Confident	92.8	Very high	93 Å²	93	42.3 Å²	42.3	48%	0.477	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	157.8	179.6	60.2	173.4	0	0	0	109.4	V445	I443-V445 PolarHBondContact O-N 2.81Å
444	N	83.5	Confident	92.9	Very high	150 Å²	150	42 Å²	42	80%	0.802	24%	0.244	S	C	*	.	S	Bend	trans	57.6	33.7	179.1	-58.9	-24	0	0	0	114
445	V	87.4	Confident	93	Very high	30 Å²	30	38.2 Å²	38.2	18%	0.182	22%	0.22	C	C	.	.			trans	-114.9	159.9	169.5	-62.3	0	0	0	0	110.1	R442 I443 Y447	R442-V445 HydrophobicContact CG-CB 4.38Å; R442-V445 HydrophobicContact CG-CG1 3.96Å; R442-V445 HydrophobicContact CG-CG2 3.52Å; I443-V445 PolarHBondContact O-N 2.81Å; V445-Y447 VanDerWaalsContact C-N 3.29Å; V445-Y447 HydrophobicContact CB-CD1 4.08Å; V445-Y447 HydrophobicContact CB-CE1 3.93Å; V445-Y447 HydrophobicContact CG1-CE1 4.29Å; V445-Y447 HydrophobicContact CG2-CD1 4.17Å; V445-Y447 HydrophobicContact CG2-CD2 3.99Å; V445-Y447 HydrophobicContact CG2-CE1 4.14Å; V445-Y447 HydrophobicContact CG2-CE2 3.93Å; V445-Y447 HydrophobicContact CG2-CG 4.13Å; V445-Y447 WeakPolarHBondContact CG2-O 3.42Å; V445-Y447 PolarHBondContact O-N 2.8Å
446	D	88.1	Confident	93.3	Very high	114 Å²	114	38.8 Å²	38.8	61%	0.61	21%	0.211	S	C	*	.	S	Bend	trans	-83.3	-3.3	-177.2	61.3	-21.5	0	0	0	114	K353	K353-D446 PolarHBondContact NZ-O 2.99Å
447	Y	92.3	Very high	93.5	Very high	7 Å²	7	37 Å²	37	3%	0.027	19%	0.189	C	C	.	.			trans	-116	165.4	178.6	60.9	-100.5	0	0	0	113.6	R442 V445 L449 T471 D472 I473 L477	R442-Y447 HydrophobicContact CG-CE2 4Å; R442-Y447 PolarHBondContact NE-OH 2.77Å; R442-Y447 PolarHBondContact NH2-OH 2.97Å; V445-Y447 VanDerWaalsContact C-N 3.29Å; V445-Y447 HydrophobicContact CB-CD1 4.08Å; V445-Y447 HydrophobicContact CB-CE1 3.93Å; V445-Y447 HydrophobicContact CG1-CE1 4.29Å; V445-Y447 HydrophobicContact CG2-CD1 4.17Å; V445-Y447 HydrophobicContact CG2-CD2 3.99Å; V445-Y447 HydrophobicContact CG2-CE1 4.14Å; V445-Y447 HydrophobicContact CG2-CE2 3.93Å; V445-Y447 HydrophobicContact CG2-CG 4.13Å; V445-Y447 WeakPolarHBondContact CG2-O 3.42Å; V445-Y447 PolarHBondContact O-N 2.8Å; Y447-L449 HydrophobicContact CE2-CD2 4.43Å; Y447-T471 HydrophobicContact CD2-CG2 3.54Å; Y447-T471 HydrophobicContact CE2-CG2 3.75Å; Y447-T471 HydrophobicContact CG-CG2 4.24Å; Y447-D472 WeakPolarHBondContact CA-OD1 3.39Å; Y447-D472 WeakPolarHBondContact CB-OD1 3.31Å; Y447-I473 HydrophobicContact CD1-CD1 3.7Å; Y447-I473 HydrophobicContact CD1-CG1 4.42Å; Y447-I473 HydrophobicContact CG-CD1 4.05Å; Y447-I473 HydrophobicContact CG-CG1 4.28Å; Y447-L477 HydrophobicContact CE2-CD1 4.21Å
448	R	95.3	Very high	93.5	Very high	53 Å²	53	39.8 Å²	39.8	20%	0.2	20%	0.204	C	C	.	.			trans	-119.1	149.2	170.1	-69.1	-173.3	172	90.7	-3.9	110.6	T346 S349 K353 S355 T471 D472	T346-R448 HydrophobicContact CG2-CB 4.14Å; T346-R448 HydrophobicContact CG2-CG 4.39Å; S349-R448 PolarHBondContact O-NH2 3.45Å; K353-R448 HydrophobicContact CB-CG 4.44Å; S355-R448 WeakPolarHBondContact OG-CA 3.17Å; R448-T471 CarbonylContact O-C 3.53Å; R448-T471 VanDerWaalsContact O-CA 3.23Å; R448-T471 WeakPolarHBondContact O-CA 3.31Å; R448-D472 VanDerWaalsContact N-CG 3.32Å; R448-D472 PolarHBondContact N-OD1 3.35Å; R448-D472 PolarHBondContact N-OD2 3.43Å; R448-D472 PolarHBondContact O-N 3.25Å
449	L	97.6	Very high	93.4	Very high	1 Å²	1	39 Å²	39	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	139.6	170.9	-58.9	-179.2	0	0	0	109.8	V344 S355 V357 F440 Y447 L469 G470 T471 L477	V344-L449 HydrophobicContact CG1-CB 3.52Å; V344-L449 HydrophobicContact CG1-CD1 4.48Å; S355-L449 VanDerWaalsContact CB-CG 3.46Å; S355-L449 PolarHBondContact OG-N 3.38Å; V357-L449 HydrophobicContact CG2-CD1 4.26Å; F440-L449 HydrophobicContact CD1-CD1 4.24Å; F440-L449 HydrophobicContact CE1-CD1 4.13Å; Y447-L449 HydrophobicContact CE2-CD2 4.43Å; L449-L469 HydrophobicContact CD1-CD1 4.07Å; L449-L469 HydrophobicContact CD2-CB 4.01Å; L449-G470 CarbonylContact C-O 3.28Å; L449-G470 WeakPolarHBondContact CA-O 3.46Å; L449-T471 HydrophobicContact CD2-CG2 4.09Å; L449-L477 HydrophobicContact CD2-CD1 4.07Å
450	T	97.3	Very high	93.2	Very high	16 Å²	16	42.1 Å²	42.1	10%	0.098	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	-34.1	-175.4	58.7	0	0	0	0	113.7	G470 D472 I505 I506	T450-G470 PolarHBondContact N-O 2.8Å; T450-G470 PolarHBondContact OG1-O 2.88Å; T450-D472 HydrophobicContact CG2-CB 3.9Å; T450-I505 HydrophobicContact CG2-CD1 4.01Å; T450-I505 HydrophobicContact CG2-CG1 4.12Å; T450-I506 PolarHBondContact OG1-O 3.49Å
451	Q	97.9	Very high	92.8	Very high	33 Å²	33	45.1 Å²	45.1	15%	0.154	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	153.5	-172.1	-67.9	-67	-72.9	0	0	110.8	D327 L469 G470 I506 M509	D327-Q451 VanDerWaalsContact OD2-CA 3.28Å; D327-Q451 WeakPolarHBondContact OD2-CA 3.36Å; Q451-L469 WeakPolarHBondContact O-CA 3.45Å; Q451-G470 PolarHBondContact O-N 3.04Å; Q451-I506 HydrophobicContact CB-CG2 4.23Å; Q451-I506 HydrophobicContact CG-CG2 4.02Å; Q451-M509 HydrophobicContact CB-CB 4.44Å; Q451-M509 HydrophobicContact CB-CG 3.91Å; Q451-M509 HydrophobicContact CB-SD 3.62Å; Q451-M509 HydrophobicContact CG-CG 4.47Å
452	I	98.5	Very high	92.7	Very high	3 Å²	3	43 Å²	43	2%	0.015	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	136.7	175.5	-177.3	165.6	0	0	0	111.7	D327 Y342 V344 V357 V454 M467 F468 L469	D327-I452 HydrophobicContact CB-CG2 4.23Å; D327-I452 PolarHBondContact OD2-N 3.38Å; Y342-I452 HydrophobicContact CD1-CD1 4.21Å; Y342-I452 HydrophobicContact CG-CD1 4.46Å; V344-I452 HydrophobicContact CG2-CB 3.56Å; V344-I452 HydrophobicContact CG2-CD1 4.26Å; V344-I452 HydrophobicContact CG2-CG2 3.52Å; V357-I452 HydrophobicContact CG1-CD1 3.76Å; V357-I452 HydrophobicContact CG2-CD1 4.39Å; I452-V454 HydrophobicContact CD1-CG2 3.92Å; I452-V454 HydrophobicContact CG1-CG2 3.86Å; I452-M467 HydrophobicContact CD1-CG 4.41Å; I452-M467 HydrophobicContact CD1-SD 4.39Å; I452-F468 WeakPolarHBondContact CA-O 3.11Å; I452-L469 HydrophobicContact CB-CD2 3.97Å; I452-L469 HydrophobicContact CD1-CD2 3.61Å; I452-L469 HydrophobicContact CG1-CD2 3.7Å
453	V	98.3	Very high	92.7	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.024	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	151	157.5	-60.4	0	0	0	0	109.1	Y329 F468 M509 L511 L518	Y329-V453 HydrophobicContact CD2-CB 4.2Å; Y329-V453 HydrophobicContact CD2-CG1 4.15Å; Y329-V453 HydrophobicContact CE2-CB 4.05Å; Y329-V453 HydrophobicContact CE2-CG1 4.13Å; V453-F468 HydrophobicContact CG2-CB 3.79Å; V453-F468 HydrophobicContact CG2-CD2 4.14Å; V453-F468 HydrophobicContact CG2-CG 4.34Å; V453-F468 PolarHBondContact N-O 3Å; V453-F468 VanDerWaalsContact N-O 3.09Å; V453-F468 PolarHBondContact O-N 2.93Å; V453-M509 HydrophobicContact CG1-CB 3.98Å; V453-M509 WeakPolarHBondContact CG1-O 3.32Å; V453-M509 HydrophobicContact CG2-CE 4.21Å; V453-L511 HydrophobicContact CB-CB 4.14Å; V453-L511 HydrophobicContact CG1-CB 4.43Å; V453-L511 HydrophobicContact CG2-CB 4.13Å; V453-L518 HydrophobicContact CG2-CD1 3.55Å
454	V	97.7	Very high	93	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	130.6	-175.9	-170.9	0	0	0	0	109.6	Y329 L331 Y342 I452 D465 V466 M467	Y329-V454 HydrophobicContact CD1-CB 3.77Å; Y329-V454 HydrophobicContact CD1-CG2 3.79Å; Y329-V454 HydrophobicContact CE1-CB 3.77Å; Y329-V454 HydrophobicContact CE1-CG2 4.31Å; Y329-V454 VanDerWaalsContact CE1-O 3.29Å; Y329-V454 WeakPolarHBondContact CE1-O 3.42Å; Y329-V454 HydrophobicContact CG-CG2 4.45Å; Y329-V454 PolarHBondContact OH-O 3.41Å; L331-V454 HydrophobicContact CD1-CB 4.37Å; L331-V454 HydrophobicContact CD1-CG1 4.34Å; L331-V454 HydrophobicContact CD2-CG1 4.46Å; Y342-V454 HydrophobicContact CD1-CG2 3.89Å; Y342-V454 HydrophobicContact CD2-CG2 4.12Å; Y342-V454 HydrophobicContact CE1-CG1 4.39Å; Y342-V454 HydrophobicContact CE1-CG2 4.2Å; Y342-V454 HydrophobicContact CE2-CG1 4.41Å; Y342-V454 HydrophobicContact CE2-CG2 4.42Å; Y342-V454 HydrophobicContact CG-CG2 3.87Å; I452-V454 HydrophobicContact CD1-CG2 3.92Å; I452-V454 HydrophobicContact CG1-CG2 3.86Å; V454-D465 HydrophobicContact CG1-CB 3.96Å; V454-V466 WeakPolarHBondContact CA-O 3.34Å; V454-M467 HydrophobicContact CG1-CG 4.33Å; V454-M467 HydrophobicContact CG2-CG 4.04Å
455	D	96.1	Very high	93.5	Very high	16 Å²	16	38.6 Å²	38.6	9%	0.086	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	140	169.1	-166.1	4.8	0	0	0	110.3	V457 D465 V466 L511 L513 Y551	D455-V457 HydrophobicContact CB-CG2 4.02Å; D455-D465 WeakPolarHBondContact O-CA 2.99Å; D455-V466 PolarHBondContact N-O 3.09Å; D455-V466 PolarHBondContact O-N 2.93Å; D455-L511 HydrophobicContact CB-CD2 3.97Å; D455-L513 HydrophobicContact CB-CD2 4.35Å; D455-L513 VanDerWaalsContact CG-CD2 3.47Å; D455-L513 VanDerWaalsContact OD1-CD2 3.23Å; D455-L513 WeakPolarHBondContact OD1-CD2 3.03Å; D455-Y551 WeakPolarHBondContact CB-OH 3.41Å; D455-Y551 PolarHBondContact OD2-OH 3.44Å
456	H	94.2	Very high	94	Very high	81 Å²	81	37.1 Å²	37.1	38%	0.375	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	98.3	174.2	-174.7	75.5	0	0	0	109.7	L331 Q463 D465	L331-H456 HydrophobicContact CD1-CB 4.27Å; H456-Q463 VanDerWaalsContact NE2-CD 3.26Å; H456-Q463 PolarHBondContact NE2-OE1 3.24Å; H456-D465 IonicContact CE1-OD1 3.87Å; H456-D465 IonicContact CG-OD1 2.6Å; H456-D465 IonicContact ND1-OD1 2.83Å; H456-D465 PolarHBondContact ND1-OD1 3.4Å
457	V	93.7	Very high	94.4	Very high	14 Å²	14	31.8 Å²	31.8	9%	0.085	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	132.8	-167.6	-170.7	0	0	0	0	110.7	D455 Q463 Y464 V466 P550 Y551	D455-V457 HydrophobicContact CB-CG2 4.02Å; V457-Q463 WeakPolarHBondContact O-CA 3.34Å; V457-Y464 PolarHBondContact N-O 2.95Å; V457-Y464 PolarHBondContact O-N 3.05Å; V457-V466 HydrophobicContact CB-CG2 4.36Å; V457-V466 HydrophobicContact CG2-CB 4.29Å; V457-V466 HydrophobicContact CG2-CG2 3.76Å; V457-P550 HydrophobicContact CB-CB 4.05Å; V457-P550 HydrophobicContact CG1-CB 3.8Å; V457-Y551 HydrophobicContact CG1-CD1 4.18Å; V457-Y551 HydrophobicContact CG1-CE1 4.21Å; V457-Y551 HydrophobicContact CG1-CG 4.37Å; V457-Y551 HydrophobicContact CG2-CD1 4.49Å; V457-Y551 HydrophobicContact CG2-CD2 4.35Å; V457-Y551 HydrophobicContact CG2-CE1 3.8Å; V457-Y551 HydrophobicContact CG2-CE2 3.65Å; V457-Y551 WeakPolarHBondContact CG2-OH 3.2Å
458	T	91.8	Very high	94.7	Very high	72 Å²	72	31.6 Å²	31.6	44%	0.442	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	129.4	171	-56.3	0	0	0	0	110	Y562	T458-Y562 WeakPolarHBondContact O-CD1 3.38Å; T458-Y562 WeakPolarHBondContact O-CE1 3.48Å
459	A	91.7	Very high	94.9	Very high	6 Å²	6	29.1 Å²	29.1	5%	0.05	16%	0.156	C	C	.	.			trans	-119.3	178.8	176.1	0	0	0	0	0	110.5	G462 Y464 P550 Y562 V575	A459-G462 PolarHBondContact N-O 2.85Å; A459-Y464 HydrophobicContact CB-CD2 3.83Å; A459-Y464 HydrophobicContact CB-CE2 3.86Å; A459-P550 HydrophobicContact CB-CB 4.29Å; A459-Y562 PolarHBondContact O-OH 2.96Å; A459-V575 HydrophobicContact CB-CG2 4.07Å
460	E	87.8	Confident	94.9	Very high	83 Å²	83	29 Å²	29	39%	0.388	16%	0.155	S	C	.	.	S	Bend	trans	-64.2	-38.7	178.1	-176.6	162.8	-161.2	0	0	113.5	Y562 Q573	E460-Y562 HydrophobicContact CB-CE2 4.05Å; E460-Q573 HydrophobicContact CB-CB 4.08Å; E460-Q573 PolarHBondContact OE2-N 3.42Å; E460-Q573 VanDerWaalsContact OE2-N 3.12Å
461	D	87.9	Confident	94.9	Very high	63 Å²	63	28.3 Å²	28.3	34%	0.337	15%	0.151	S	C	.	.	S	Bend	trans	-99.7	-2.9	-173.6	62.4	-25.8	0	0	0	113.9	Y464 V575 K576	D461-Y464 VanDerWaalsContact CG-OH 3.25Å; D461-Y464 VanDerWaalsContact OD1-CE2 3.29Å; D461-Y464 WeakPolarHBondContact OD1-CE2 3.24Å; D461-Y464 PolarHBondContact OD1-OH 2.7Å; D461-Y464 PolarHBondContact OD2-OH 2.99Å; D461-V575 PolarHBondContact OD2-N 2.75Å; D461-K576 VanDerWaalsContact OD2-CB 3.31Å; D461-K576 WeakPolarHBondContact OD2-CB 3.3Å; D461-K576 PolarHBondContact OD2-N 3.36Å
462	G	89.7	Confident	94.8	Very high	30 Å²	30	29 Å²	29	31%	0.309	16%	0.155	S	C	.	.			trans	162	-158.2	178.3	0	0	0	0	0	114.6	A459	A459-G462 PolarHBondContact N-O 2.85Å
463	Q	91.7	Very high	94.6	Very high	120 Å²	120	31.2 Å²	31.2	56%	0.561	17%	0.167	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-118.3	141.1	174.8	-62.5	-177.1	-47.9	0	0	109.1	H456 V457	H456-Q463 VanDerWaalsContact NE2-CD 3.26Å; H456-Q463 PolarHBondContact NE2-OE1 3.24Å; V457-Q463 WeakPolarHBondContact O-CA 3.34Å
464	Y	93.9	Very high	94.4	Very high	18 Å²	18	31 Å²	31	7%	0.071	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	137.2	-173.1	-65.8	-82.4	0	0	0	110.9	V457 A459 D461 V480 I482 P550 V575 K576	V457-Y464 PolarHBondContact N-O 2.95Å; V457-Y464 PolarHBondContact O-N 3.05Å; A459-Y464 HydrophobicContact CB-CD2 3.83Å; A459-Y464 HydrophobicContact CB-CE2 3.86Å; D461-Y464 VanDerWaalsContact CG-OH 3.25Å; D461-Y464 VanDerWaalsContact OD1-CE2 3.29Å; D461-Y464 WeakPolarHBondContact OD1-CE2 3.24Å; D461-Y464 PolarHBondContact OD1-OH 2.7Å; D461-Y464 PolarHBondContact OD2-OH 2.99Å; Y464-V480 HydrophobicContact CD1-CG2 3.98Å; Y464-V480 HydrophobicContact CG-CG2 4.21Å; Y464-I482 HydrophobicContact CD1-CG1 4.18Å; Y464-I482 HydrophobicContact CE1-CB 4.48Å; Y464-I482 HydrophobicContact CE1-CG1 3.99Å; Y464-I482 HydrophobicContact CE1-CG2 4.27Å; Y464-P550 HydrophobicContact CD2-CB 4.32Å; Y464-P550 HydrophobicContact CD2-CG 4.15Å; Y464-P550 HydrophobicContact CG-CG 4.08Å; Y464-V575 HydrophobicContact CD1-CG1 3.89Å; Y464-V575 HydrophobicContact CD2-CB 4.24Å; Y464-V575 HydrophobicContact CD2-CG1 3.91Å; Y464-V575 HydrophobicContact CD2-CG2 4.4Å; Y464-V575 HydrophobicContact CE1-CB 4.29Å; Y464-V575 HydrophobicContact CE1-CG1 3.6Å; Y464-V575 HydrophobicContact CE2-CB 3.6Å; Y464-V575 HydrophobicContact CE2-CG1 3.62Å; Y464-V575 HydrophobicContact CE2-CG2 4.05Å; Y464-V575 HydrophobicContact CG-CG1 4.02Å; Y464-V575 VanDerWaalsContact CZ-CG1 3.45Å; Y464-K576 WeakPolarHBondContact OH-CB 3.4Å; Y464-K576 PolarHBondContact OH-N 3.46Å
465	D	94.7	Very high	94.4	Very high	45 Å²	45	31.4 Å²	31.4	24%	0.241	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	114.1	170.9	-58.3	-30.5	0	0	0	108.5	Y342 V454 D455 H456	Y342-D465 PolarHBondContact OH-OD2 3.03Å; V454-D465 HydrophobicContact CG1-CB 3.96Å; D455-D465 WeakPolarHBondContact O-CA 2.99Å; H456-D465 IonicContact CE1-OD1 3.87Å; H456-D465 IonicContact CG-OD1 2.6Å; H456-D465 IonicContact ND1-OD1 2.83Å; H456-D465 PolarHBondContact ND1-OD1 3.4Å
466	V	97.1	Very high	94.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	113.9	177.6	-175.1	0	0	0	0	108.9	V454 D455 V457 F468 K478 V479 V480 P550 Y551	V454-V466 WeakPolarHBondContact CA-O 3.34Å; D455-V466 PolarHBondContact N-O 3.09Å; D455-V466 PolarHBondContact O-N 2.93Å; V457-V466 HydrophobicContact CB-CG2 4.36Å; V457-V466 HydrophobicContact CG2-CB 4.29Å; V457-V466 HydrophobicContact CG2-CG2 3.76Å; V466-F468 HydrophobicContact CG1-CE2 4.08Å; V466-F468 HydrophobicContact CG1-CZ 4.17Å; V466-K478 HydrophobicContact CG1-CG 3.87Å; V466-V479 CarbonylContact C-O 3.56Å; V466-V479 WeakPolarHBondContact CA-O 3.4Å; V466-V480 HydrophobicContact CG2-CG2 4.48Å; V466-P550 HydrophobicContact CG2-CB 4.39Å; V466-P550 HydrophobicContact CG2-CG 3.85Å; V466-Y551 HydrophobicContact CB-CE2 4.08Å; V466-Y551 HydrophobicContact CG1-CE2 4.02Å; V466-Y551 HydrophobicContact CG2-CE2 3.92Å
467	M	98.1	Very high	94.6	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.01	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	129.7	178.5	-59.6	176.2	-75.3	0	0	110	Y342 V357 F440 I452 V454 L469 V479	Y342-M467 HydrophobicContact CD1-SD 4.23Å; Y342-M467 HydrophobicContact CE1-CG 4.4Å; Y342-M467 HydrophobicContact CE1-SD 4.16Å; V357-M467 HydrophobicContact CB-SD 4.49Å; V357-M467 HydrophobicContact CG1-SD 3.95Å; F440-M467 HydrophobicContact CB-CE 4.1Å; I452-M467 HydrophobicContact CD1-CG 4.41Å; I452-M467 HydrophobicContact CD1-SD 4.39Å; V454-M467 HydrophobicContact CG1-CG 4.33Å; V454-M467 HydrophobicContact CG2-CG 4.04Å; M467-L469 HydrophobicContact CB-CD2 4.23Å; M467-L469 HydrophobicContact CB-CG 4.29Å; M467-V479 HydrophobicContact CB-CB 4.45Å; M467-V479 HydrophobicContact CE-CB 4.18Å; M467-V479 HydrophobicContact CE-CG1 3.82Å; M467-V479 PolarHBondContact N-O 3.44Å; M467-V479 PolarHBondContact O-N 3.42Å
468	F	98.5	Very high	94.8	Very high	3 Å²	3	26.1 Å²	26.1	1%	0.013	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	115.2	166.4	-60.3	-93	0	0	0	108.2	I452 V453 V466 V476 L477 K478 M509 L518 L531 Y551	I452-F468 WeakPolarHBondContact CA-O 3.11Å; V453-F468 HydrophobicContact CG2-CB 3.79Å; V453-F468 HydrophobicContact CG2-CD2 4.14Å; V453-F468 HydrophobicContact CG2-CG 4.34Å; V453-F468 PolarHBondContact N-O 3Å; V453-F468 VanDerWaalsContact N-O 3.09Å; V453-F468 PolarHBondContact O-N 2.93Å; V466-F468 HydrophobicContact CG1-CE2 4.08Å; V466-F468 HydrophobicContact CG1-CZ 4.17Å; F468-V476 HydrophobicContact CB-CG1 4.2Å; F468-V476 HydrophobicContact CD1-CG1 4.33Å; F468-L477 CarbonylContact C-O 3.3Å; F468-L477 WeakPolarHBondContact CA-O 3.37Å; F468-K478 HydrophobicContact CD1-CB 4.41Å; F468-K478 HydrophobicContact CD1-CG 4.22Å; F468-K478 HydrophobicContact CE1-CB 4.39Å; F468-K478 HydrophobicContact CE1-CD 3.94Å; F468-K478 HydrophobicContact CE1-CG 3.82Å; F468-K478 HydrophobicContact CZ-CD 4.41Å; F468-K478 HydrophobicContact CZ-CG 4.35Å; F468-M509 HydrophobicContact CB-CE 3.85Å; F468-L518 HydrophobicContact CB-CD2 3.82Å; F468-L518 HydrophobicContact CD1-CD2 3.84Å; F468-L518 HydrophobicContact CG-CD2 3.87Å; F468-L531 HydrophobicContact CE1-CD2 4.14Å; F468-L531 HydrophobicContact CE2-CD2 3.89Å; F468-L531 HydrophobicContact CZ-CB 4.06Å; F468-L531 HydrophobicContact CZ-CD2 3.62Å; F468-L531 HydrophobicContact CZ-CG 4.38Å; F468-Y551 HydrophobicContact CZ-CE2 4.3Å
469	L	98.6	Very high	95.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	116.8	-172.3	-53.6	169.3	0	0	0	110.2	V344 V357 F440 L449 Q451 I452 M467 V476 L477 V479	V344-L469 HydrophobicContact CG2-CD2 4.47Å; V357-L469 HydrophobicContact CG2-CD1 4.24Å; V357-L469 HydrophobicContact CG2-CD2 3.79Å; F440-L469 HydrophobicContact CD1-CD1 3.43Å; F440-L469 VanDerWaalsContact CD1-CD1 3.43Å; F440-L469 HydrophobicContact CE1-CD1 3.44Å; F440-L469 VanDerWaalsContact CE1-CD1 3.44Å; F440-L469 HydrophobicContact CG-CD1 4.31Å; F440-L469 HydrophobicContact CZ-CD1 4.34Å; L449-L469 HydrophobicContact CD1-CD1 4.07Å; L449-L469 HydrophobicContact CD2-CB 4.01Å; Q451-L469 WeakPolarHBondContact O-CA 3.45Å; I452-L469 HydrophobicContact CB-CD2 3.97Å; I452-L469 HydrophobicContact CD1-CD2 3.61Å; I452-L469 HydrophobicContact CG1-CD2 3.7Å; M467-L469 HydrophobicContact CB-CD2 4.23Å; M467-L469 HydrophobicContact CB-CG 4.29Å; L469-V476 CarbonylContact O-C 3.47Å; L469-V476 VanDerWaalsContact O-CA 3.32Å; L469-V476 WeakPolarHBondContact O-CA 3.46Å; L469-L477 HydrophobicContact CB-CB 4.24Å; L469-L477 PolarHBondContact N-O 3.17Å; L469-L477 PolarHBondContact O-N 3.03Å; L469-V479 HydrophobicContact CD1-CB 4.47Å; L469-V479 HydrophobicContact CD1-CG2 3.88Å
470	G	98.1	Very high	95.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	154	174.8	0	0	0	0	0	112.5	L449 T450 Q451	L449-G470 CarbonylContact C-O 3.28Å; L449-G470 WeakPolarHBondContact CA-O 3.46Å; T450-G470 PolarHBondContact N-O 2.8Å; T450-G470 PolarHBondContact OG1-O 2.88Å; Q451-G470 PolarHBondContact O-N 3.04Å
471	T	97.3	Very high	95.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	163.9	179.1	70.3	0	0	0	0	113.9	Y447 R448 L449 I473 G474 T475 I506	Y447-T471 HydrophobicContact CD2-CG2 3.54Å; Y447-T471 HydrophobicContact CE2-CG2 3.75Å; Y447-T471 HydrophobicContact CG-CG2 4.24Å; R448-T471 CarbonylContact O-C 3.53Å; R448-T471 VanDerWaalsContact O-CA 3.23Å; R448-T471 WeakPolarHBondContact O-CA 3.31Å; L449-T471 HydrophobicContact CD2-CG2 4.09Å; T471-I473 PolarHBondContact O-N 3.06Å; T471-I473 VanDerWaalsContact OG1-CG1 3.28Å; T471-I473 WeakPolarHBondContact OG1-CG1 3.02Å; T471-I473 PolarHBondContact OG1-N 3.08Å; T471-G474 PolarHBondContact O-N 3.17Å; T471-G474 PolarHBondContact OG1-N 2.58Å; T471-T475 WeakPolarHBondContact CG2-O 3.3Å; T471-T475 VanDerWaalsContact CG2-OG1 3.23Å; T471-T475 WeakPolarHBondContact CG2-OG1 3.42Å; T471-T475 PolarHBondContact N-O 3.3Å; T471-T475 PolarHBondContact OG1-N 3.22Å; T471-T475 PolarHBondContact OG1-O 3.11Å; T471-T475 PolarHBondContact OG1-OG1 3.24Å; T471-I506 PolarHBondContact O-N 2.94Å
472	D	95.1	Very high	95.2	Very high	47 Å²	47	16.3 Å²	16.3	25%	0.251	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-4.9	173.3	65.3	-11.7	0	0	0	114.5	Y447 R448 T450 I505	Y447-D472 WeakPolarHBondContact CA-OD1 3.39Å; Y447-D472 WeakPolarHBondContact CB-OD1 3.31Å; R448-D472 VanDerWaalsContact N-CG 3.32Å; R448-D472 PolarHBondContact N-OD1 3.35Å; R448-D472 PolarHBondContact N-OD2 3.43Å; R448-D472 PolarHBondContact O-N 3.25Å; T450-D472 HydrophobicContact CG2-CB 3.9Å; D472-I505 HydrophobicContact CB-CD1 4.22Å; D472-I505 HydrophobicContact CB-CG1 4.4Å
473	I	94.8	Very high	94.9	Very high	50 Å²	50	17.6 Å²	17.6	26%	0.256	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	4.4	177	64.1	165.1	0	0	0	113.8	Y447 T471 T475 P503 S504	Y447-I473 HydrophobicContact CD1-CD1 3.7Å; Y447-I473 HydrophobicContact CD1-CG1 4.42Å; Y447-I473 HydrophobicContact CG-CD1 4.05Å; Y447-I473 HydrophobicContact CG-CG1 4.28Å; T471-I473 PolarHBondContact O-N 3.06Å; T471-I473 VanDerWaalsContact OG1-CG1 3.28Å; T471-I473 WeakPolarHBondContact OG1-CG1 3.02Å; T471-I473 PolarHBondContact OG1-N 3.08Å; I473-T475 HydrophobicContact CD1-CG2 4.13Å; I473-T475 HydrophobicContact CG1-CG2 4.2Å; I473-P503 HydrophobicContact CB-CB 4.46Å; I473-P503 VanDerWaalsContact O-CA 3.26Å; I473-P503 WeakPolarHBondContact O-CA 3.42Å; I473-S504 CarbonylContact C-O 3.59Å; I473-S504 PolarHBondContact O-N 3.15Å
474	G	94.9	Very high	94	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.01	8%	0.082	C	C	.	.	S	Bend	trans	87.3	25.4	174.1	0	0	0	0	0	115	T471 I499 S504	T471-G474 PolarHBondContact O-N 3.17Å; T471-G474 PolarHBondContact OG1-N 2.58Å; G474-I499 PolarHBondContact O-N 3.2Å; G474-S504 WeakPolarHBondContact CA-O 3.28Å; G474-S504 PolarHBondContact N-O 2.93Å
475	T	96.1	Very high	92.8	Very high	9 Å²	9	21.7 Å²	21.7	6%	0.055	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	148.7	173.3	60.3	0	0	0	0	111.4	T471 I473 L497 Q498 I506	T471-T475 WeakPolarHBondContact CG2-O 3.3Å; T471-T475 VanDerWaalsContact CG2-OG1 3.23Å; T471-T475 WeakPolarHBondContact CG2-OG1 3.42Å; T471-T475 PolarHBondContact N-O 3.3Å; T471-T475 PolarHBondContact OG1-N 3.22Å; T471-T475 PolarHBondContact OG1-O 3.11Å; T471-T475 PolarHBondContact OG1-OG1 3.24Å; I473-T475 HydrophobicContact CD1-CG2 4.13Å; I473-T475 HydrophobicContact CG1-CG2 4.2Å; T475-L497 CarbonylContact C-O 3.58Å; T475-L497 WeakPolarHBondContact CA-O 3.37Å; T475-Q498 HydrophobicContact CG2-CB 4.47Å; T475-I506 VanDerWaalsContact O-CD1 3.23Å; T475-I506 WeakPolarHBondContact O-CD1 3.39Å
476	V	98	Very high	91.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	127.8	168.8	171.8	0	0	0	0	109.1	F468 L469 L497 I499 I506 M509 L518 I520	F468-V476 HydrophobicContact CB-CG1 4.2Å; F468-V476 HydrophobicContact CD1-CG1 4.33Å; L469-V476 CarbonylContact O-C 3.47Å; L469-V476 VanDerWaalsContact O-CA 3.32Å; L469-V476 WeakPolarHBondContact O-CA 3.46Å; V476-L497 HydrophobicContact CB-CB 4.5Å; V476-L497 PolarHBondContact N-O 2.81Å; V476-L497 PolarHBondContact O-N 2.88Å; V476-I499 HydrophobicContact CB-CD1 4.19Å; V476-I499 HydrophobicContact CB-CG1 4.16Å; V476-I499 HydrophobicContact CG2-CD1 4.12Å; V476-I499 HydrophobicContact CG2-CG1 3.71Å; V476-I506 HydrophobicContact CG2-CD1 3.61Å; V476-M509 HydrophobicContact CG1-CE 4.3Å; V476-M509 HydrophobicContact CG2-CE 4.14Å; V476-L518 HydrophobicContact CG1-CD2 4.49Å; V476-I520 HydrophobicContact CG2-CD1 3.79Å
477	L	97.8	Very high	89.2	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	130	169.3	-54.7	175.8	0	0	0	109.3	F440 Y447 L449 F468 L469 V479 V493 E495 E496	F440-L477 HydrophobicContact CE1-CD1 4.38Å; F440-L477 HydrophobicContact CZ-CD1 4.3Å; Y447-L477 HydrophobicContact CE2-CD1 4.21Å; L449-L477 HydrophobicContact CD2-CD1 4.07Å; F468-L477 CarbonylContact C-O 3.3Å; F468-L477 WeakPolarHBondContact CA-O 3.37Å; L469-L477 HydrophobicContact CB-CB 4.24Å; L469-L477 PolarHBondContact N-O 3.17Å; L469-L477 PolarHBondContact O-N 3.03Å; L477-V479 HydrophobicContact CB-CG2 4Å; L477-V493 HydrophobicContact CD2-CG1 4.48Å; L477-E495 WeakPolarHBondContact CA-O 3.34Å; L477-E496 HydrophobicContact CD2-CB 3.79Å; L477-E496 HydrophobicContact CD2-CG 3.69Å
478	K	97.9	Very high	87.8	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	114.7	168.7	-172.1	-179	177.1	-179.7	0	108.3	V466 F468 L494 E495 L531 D549	V466-K478 HydrophobicContact CG1-CG 3.87Å; F468-K478 HydrophobicContact CD1-CB 4.41Å; F468-K478 HydrophobicContact CD1-CG 4.22Å; F468-K478 HydrophobicContact CE1-CB 4.39Å; F468-K478 HydrophobicContact CE1-CD 3.94Å; F468-K478 HydrophobicContact CE1-CG 3.82Å; F468-K478 HydrophobicContact CZ-CD 4.41Å; F468-K478 HydrophobicContact CZ-CG 4.35Å; K478-L494 HydrophobicContact CB-CB 4.48Å; K478-L494 HydrophobicContact CD-CD1 4.32Å; K478-L494 HydrophobicContact CG-CB 4.42Å; K478-L494 HydrophobicContact CG-CD1 4.24Å; K478-L494 WeakPolarHBondContact O-CB 3.29Å; K478-L494 PolarHBondContact O-N 3.02Å; K478-E495 HydrophobicContact CB-CB 4Å; K478-E495 HydrophobicContact CB-CG 4.45Å; K478-E495 HydrophobicContact CD-CG 4.38Å; K478-E495 PolarHBondContact N-O 3.05Å; K478-E495 PolarHBondContact O-N 3.16Å; K478-L531 PolarHBondContact NZ-O 2.88Å; K478-D549 IonicContact NZ-OD1 2.9Å; K478-D549 PolarHBondContact NZ-OD1 3.5Å; K478-D549 IonicContact NZ-OD2 3.73Å; K478-D549 PolarHBondContact NZ-OD2 2.94Å
479	V	97	Very high	86.7	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	137.6	-171.3	-174.9	0	0	0	0	109.8	F440 V466 M467 L469 L477 V492 V493	F440-V479 HydrophobicContact CD2-CG1 3.72Å; F440-V479 HydrophobicContact CE1-CG2 4.48Å; F440-V479 HydrophobicContact CE2-CG1 3.95Å; F440-V479 HydrophobicContact CE2-CG2 4.12Å; F440-V479 HydrophobicContact CG-CG1 4.26Å; F440-V479 HydrophobicContact CZ-CG2 4.09Å; V466-V479 CarbonylContact C-O 3.56Å; V466-V479 WeakPolarHBondContact CA-O 3.4Å; M467-V479 HydrophobicContact CB-CB 4.45Å; M467-V479 HydrophobicContact CE-CB 4.18Å; M467-V479 HydrophobicContact CE-CG1 3.82Å; M467-V479 PolarHBondContact N-O 3.44Å; M467-V479 PolarHBondContact O-N 3.42Å; L469-V479 HydrophobicContact CD1-CB 4.47Å; L469-V479 HydrophobicContact CD1-CG2 3.88Å; L477-V479 HydrophobicContact CB-CG2 4Å; V479-V492 WeakPolarHBondContact CA-O 3.32Å; V479-V492 WeakPolarHBondContact CG1-O 3.32Å; V479-V493 HydrophobicContact CG2-CG1 4.33Å; V479-V493 HydrophobicContact CG2-CG2 4.21Å
480	V	94.8	Very high	86.2	Confident	0 Å²	0	50 Å²	50	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	139.2	171.5	64.3	0	0	0	0	109.6	Y464 V466 I482 V492 L494 P550	Y464-V480 HydrophobicContact CD1-CG2 3.98Å; Y464-V480 HydrophobicContact CG-CG2 4.21Å; V466-V480 HydrophobicContact CG2-CG2 4.48Å; V480-I482 HydrophobicContact CG1-CD1 3.92Å; V480-I482 HydrophobicContact CG1-CG1 4.07Å; V480-I482 HydrophobicContact CG2-CG1 4.07Å; V480-V492 HydrophobicContact CG1-CB 3.81Å; V480-V492 HydrophobicContact CG1-CG1 4.41Å; V480-V492 PolarHBondContact N-O 3.27Å; V480-V492 PolarHBondContact O-N 2.66Å; V480-L494 HydrophobicContact CB-CD1 4.3Å; V480-L494 HydrophobicContact CG1-CD1 4.09Å; V480-L494 HydrophobicContact CG1-CD2 4.04Å; V480-L494 HydrophobicContact CG1-CG 4.1Å; V480-P550 HydrophobicContact CG2-CG 4.15Å
481	S	88.1	Confident	85.7	Confident	17 Å²	17	51.8 Å²	51.8	12%	0.119	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	118.7	172.5	-162.8	0	0	0	0	109.4	T439 M489	T439-S481 VanDerWaalsContact CG2-OG 3.25Å; T439-S481 WeakPolarHBondContact CG2-OG 3.33Å; S481-M489 WeakPolarHBondContact OG-CE 3.41Å
482	I	87.6	Confident	85.4	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	120.3	-172.1	-63.1	172.6	0	0	0	109.4	Y464 V480 M489 E490 V492 V575 K576	Y464-I482 HydrophobicContact CD1-CG1 4.18Å; Y464-I482 HydrophobicContact CE1-CB 4.48Å; Y464-I482 HydrophobicContact CE1-CG1 3.99Å; Y464-I482 HydrophobicContact CE1-CG2 4.27Å; V480-I482 HydrophobicContact CG1-CD1 3.92Å; V480-I482 HydrophobicContact CG1-CG1 4.07Å; V480-I482 HydrophobicContact CG2-CG1 4.07Å; I482-M489 WeakPolarHBondContact O-CA 3.31Å; I482-E490 HydrophobicContact CB-CB 4.44Å; I482-E490 PolarHBondContact N-O 2.03Å; I482-E490 PolarHBondContact O-N 3.37Å; I482-V492 HydrophobicContact CD1-CB 4.46Å; I482-V492 HydrophobicContact CD1-CG2 3.84Å; I482-V575 HydrophobicContact CD1-CG1 3.99Å; I482-V575 WeakPolarHBondContact CD1-O 3.4Å; I482-V575 HydrophobicContact CG1-CG1 4.37Å; I482-K576 HydrophobicContact CG2-CG 4.1Å
483	S	82.3	Confident	85.4	Confident	58 Å²	58	50 Å²	50	41%	0.406	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	119.6	175.2	-165.9	0	0	0	0	111.3	K576	S483-K576 WeakPolarHBondContact O-CE 3.49Å
484	K	74.5	Confident	85.4	Confident	69 Å²	69	47.7 Å²	47.7	30%	0.3	22%	0.224	S	C	.	.			trans	-95.7	164.8	174.3	-67.7	-172.4	177.3	172.5	0	112.1	K486 W487 N488 E490	K484-K486 PolarHBondContact O-N 2.94Å; K484-W487 PolarHBondContact O-N 3.45Å; K484-N488 PolarHBondContact N-O 2.85Å; K484-E490 WeakPolarHBondContact CE-OE2 3.22Å; K484-E490 IonicContact NZ-OE2 3.31Å; K484-E490 PolarHBondContact NZ-OE2 2.9Å
485	E	67.2	Low	85.5	Confident	154 Å²	154	47.7 Å²	47.7	72%	0.72	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-8.7	-171.2	-65.8	174.7	-173.5	0	0	116.1	K576 Y577	E485-K576 IonicContact OE1-NZ 3.91Å; E485-Y577 PolarHBondContact OE1-OH 2.88Å
486	K	58.9	Low	85.5	Confident	174 Å²	174	48 Å²	48	76%	0.757	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.7	18.2	175.3	-67.5	-175.1	178.3	179.9	0	114.1	K484 N488	K484-K486 PolarHBondContact O-N 2.94Å; K486-N488 PolarHBondContact O-N 2.89Å; K486-N488 VanDerWaalsContact O-N 3.15Å
487	W	58	Low	85.4	Confident	225 Å²	225	48 Å²	48	85%	0.852	23%	0.225	S	C	*	.	S	Bend	trans	60.9	14.7	-170.6	-53.4	92.4	0	0	0	114	K484 M489	K484-W487 PolarHBondContact O-N 3.45Å; W487-M489 PolarHBondContact O-N 2.89Å
488	N	68.1	Low	85.3	Confident	109 Å²	109	51.1 Å²	51.1	58%	0.583	24%	0.239	S	C	*	.			trans	-77.2	115	170.1	-74.5	-4.9	0	0	0	107.9	K484 K486	K484-N488 PolarHBondContact N-O 2.85Å; K486-N488 PolarHBondContact O-N 2.89Å; K486-N488 VanDerWaalsContact O-N 3.15Å
489	M	76.7	Confident	85.2	Confident	91 Å²	91	51.1 Å²	51.1	45%	0.448	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	124.5	172.5	-62	-62.5	-79.1	0	0	108.7	S481 I482 W487	S481-M489 WeakPolarHBondContact OG-CE 3.41Å; I482-M489 WeakPolarHBondContact O-CA 3.31Å; W487-M489 PolarHBondContact O-N 2.89Å
490	E	86.6	Confident	84.9	Confident	47 Å²	47	51.8 Å²	51.8	22%	0.22	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	128.7	170.9	-174.1	-173.3	179.1	0	0	109.4	I482 K484 V492 R548	I482-E490 HydrophobicContact CB-CB 4.44Å; I482-E490 PolarHBondContact N-O 2.03Å; I482-E490 PolarHBondContact O-N 3.37Å; K484-E490 WeakPolarHBondContact CE-OE2 3.22Å; K484-E490 IonicContact NZ-OE2 3.31Å; K484-E490 PolarHBondContact NZ-OE2 2.9Å; E490-V492 HydrophobicContact CG-CG2 3.83Å; E490-R548 IonicContact OE1-CZ 3.63Å; E490-R548 IonicContact OE1-NH1 3.42Å; E490-R548 PolarHBondContact OE1-NH1 3.44Å; E490-R548 IonicContact OE1-NH2 3.65Å; E490-R548 IonicContact OE2-CZ 2.66Å; E490-R548 IonicContact OE2-NH1 2.62Å; E490-R548 PolarHBondContact OE2-NH1 2.81Å; E490-R548 IonicContact OE2-NH2 3.53Å; E490-R548 PolarHBondContact OE2-NH2 3.17Å
491	E	88.4	Confident	84.6	Confident	36 Å²	36	58.6 Å²	58.6	17%	0.168	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	117.8	173.2	-63.1	174.6	-153.2	0	0	108.9	N41 T439 F440 K441	N41-E491 PolarHBondContact ND2-OE2 2.93Å; N41-E491 PolarHBondContact OD1-O 2.79Å; T439-E491 VanDerWaalsContact O-CG 3.25Å; T439-E491 WeakPolarHBondContact O-CG 3.45Å; F440-E491 HydrophobicContact CD2-CB 4.26Å; F440-E491 HydrophobicContact CD2-CG 4.38Å; F440-E491 WeakPolarHBondContact CD2-OE2 3.48Å; K441-E491 PolarHBondContact N-OE2 2.8Å; K441-E491 VanDerWaalsContact N-OE2 3.16Å
492	V	91.3	Very high	84.6	Confident	9 Å²	9	63.4 Å²	63.4	6%	0.055	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	115.9	178.6	-174.7	0	0	0	0	109.8	V479 V480 I482 E490 L494	V479-V492 WeakPolarHBondContact CA-O 3.32Å; V479-V492 WeakPolarHBondContact CG1-O 3.32Å; V480-V492 HydrophobicContact CG1-CB 3.81Å; V480-V492 HydrophobicContact CG1-CG1 4.41Å; V480-V492 PolarHBondContact N-O 3.27Å; V480-V492 PolarHBondContact O-N 2.66Å; I482-V492 HydrophobicContact CD1-CB 4.46Å; I482-V492 HydrophobicContact CD1-CG2 3.84Å; E490-V492 HydrophobicContact CG-CG2 3.83Å; V492-L494 HydrophobicContact CG1-CD2 3.91Å; V492-L494 PolarHBondContact O-N 2.98Å
493	V	94.7	Very high	84.8	Confident	1 Å²	1	68 Å²	68	1%	0.006	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	107.6	172.7	-172	0	0	0	0	108.2	N41 P43 R44 F440 L477 V479	N41-V493 HydrophobicContact CB-CG2 4.07Å; P43-V493 WeakPolarHBondContact CA-O 3.13Å; P43-V493 HydrophobicContact CB-CB 4.44Å; P43-V493 HydrophobicContact CB-CG1 3.68Å; R44-V493 PolarHBondContact N-O 3.36Å; F440-V493 HydrophobicContact CE2-CG2 3.71Å; F440-V493 HydrophobicContact CZ-CG2 4.1Å; L477-V493 HydrophobicContact CD2-CG1 4.48Å; V479-V493 HydrophobicContact CG2-CG1 4.33Å; V479-V493 HydrophobicContact CG2-CG2 4.21Å
494	L	95.4	Very high	85.3	Confident	1 Å²	1	65.8 Å²	65.8	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	-49.9	-177.7	-57.8	175.5	0	0	0	110.5	R44 L45 K478 V480 V492 A547 R548 D549	R44-L494 WeakPolarHBondContact CB-O 3.11Å; R44-L494 PolarHBondContact N-O 2.95Å; L45-L494 PolarHBondContact N-O 2.95Å; K478-L494 HydrophobicContact CB-CB 4.48Å; K478-L494 HydrophobicContact CD-CD1 4.32Å; K478-L494 HydrophobicContact CG-CB 4.42Å; K478-L494 HydrophobicContact CG-CD1 4.24Å; K478-L494 WeakPolarHBondContact O-CB 3.29Å; K478-L494 PolarHBondContact O-N 3.02Å; V480-L494 HydrophobicContact CB-CD1 4.3Å; V480-L494 HydrophobicContact CG1-CD1 4.09Å; V480-L494 HydrophobicContact CG1-CD2 4.04Å; V480-L494 HydrophobicContact CG1-CG 4.1Å; V492-L494 HydrophobicContact CG1-CD2 3.91Å; V492-L494 PolarHBondContact O-N 2.98Å; L494-A547 VanDerWaalsContact CD2-O 3.28Å; L494-A547 WeakPolarHBondContact CD2-O 3.5Å; L494-R548 HydrophobicContact CD2-CB 4.44Å; L494-D549 HydrophobicContact CD1-CB 4.24Å
495	E	96.1	Very high	86.2	Confident	2 Å²	2	65 Å²	65	1%	0.009	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	143.7	-172.6	-53.5	178.7	165.4	0	0	111.7	L45 L477 K478 L497 R533 Y537	L45-E495 HydrophobicContact CB-CG 4.42Å; L45-E495 CarbonylContact O-C 3.56Å; L45-E495 VanDerWaalsContact O-CA 3.31Å; L45-E495 WeakPolarHBondContact O-CA 3.24Å; L477-E495 WeakPolarHBondContact CA-O 3.34Å; K478-E495 HydrophobicContact CB-CB 4Å; K478-E495 HydrophobicContact CB-CG 4.45Å; K478-E495 HydrophobicContact CD-CG 4.38Å; K478-E495 PolarHBondContact N-O 3.05Å; K478-E495 PolarHBondContact O-N 3.16Å; E495-L497 HydrophobicContact CB-CD2 3.78Å; E495-L497 HydrophobicContact CB-CG 4.06Å; E495-R533 WeakPolarHBondContact OE1-CD 3.02Å; E495-R533 WeakPolarHBondContact OE1-CG 3.21Å; E495-Y537 PolarHBondContact OE1-OH 2.6Å
496	E	95.9	Very high	87.6	Confident	14 Å²	14	57.7 Å²	57.7	7%	0.065	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	113.7	163.4	179.4	177.1	130.4	0	0	108.7	P43 L45 K46 L47 R442 L477	P43-E496 HydrophobicContact CB-CB 3.7Å; P43-E496 HydrophobicContact CG-CB 3.78Å; L45-E496 PolarHBondContact O-N 3.3Å; K46-E496 WeakPolarHBondContact CA-O 3.37Å; K46-E496 VanDerWaalsContact CE-OE1 3.23Å; K46-E496 WeakPolarHBondContact CE-OE1 3.09Å; K46-E496 HydrophobicContact CG-CB 4.4Å; K46-E496 IonicContact NZ-OE1 2.79Å; K46-E496 PolarHBondContact NZ-OE1 3.22Å; L47-E496 PolarHBondContact N-O 3.16Å; R442-E496 IonicContact NH2-OE2 2.86Å; L477-E496 HydrophobicContact CD2-CB 3.79Å; L477-E496 HydrophobicContact CD2-CG 3.69Å
497	L	96.6	Very high	89.2	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.01	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	116.5	-167.8	-54.3	-178.5	0	0	0	110.2	L47 L52 T475 V476 E495 I499 L529	L47-L497 HydrophobicContact CB-CD2 3.92Å; L47-L497 HydrophobicContact CD1-CD2 3.83Å; L47-L497 HydrophobicContact CG-CD2 4.06Å; L52-L497 HydrophobicContact CD1-CB 4.22Å; L52-L497 HydrophobicContact CD2-CD2 4.23Å; T475-L497 CarbonylContact C-O 3.58Å; T475-L497 WeakPolarHBondContact CA-O 3.37Å; V476-L497 HydrophobicContact CB-CB 4.5Å; V476-L497 PolarHBondContact N-O 2.81Å; V476-L497 PolarHBondContact O-N 2.88Å; E495-L497 HydrophobicContact CB-CD2 3.78Å; E495-L497 HydrophobicContact CB-CG 4.06Å; L497-I499 HydrophobicContact CB-CD1 3.82Å; L497-I499 PolarHBondContact O-N 2.8Å; L497-L529 HydrophobicContact CD1-CD1 4.31Å; L497-L529 HydrophobicContact CD1-CD2 3.82Å
498	Q	95.6	Very high	90.9	Very high	64 Å²	64	41.6 Å²	41.6	30%	0.299	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	101.7	174.5	-174.2	175.9	11.4	0	0	110.6	L47 Y49 L52 T475	L47-Q498 PolarHBondContact O-N 3.42Å; Y49-Q498 VanDerWaalsContact CA-O 3.28Å; Y49-Q498 WeakPolarHBondContact CA-O 3.45Å; Y49-Q498 PolarHBondContact N-O 2.85Å; L52-Q498 WeakPolarHBondContact CD1-O 3.47Å; T475-Q498 HydrophobicContact CG2-CB 4.47Å
499	I	94.7	Very high	92.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.184	C	C	.	.			trans	-78.1	-36.4	-168.1	-56.8	-53.1	0	0	0	112.6	Y49 L52 G474 V476 L497 I520 V527 L529	Y49-I499 WeakPolarHBondContact CD2-O 3.02Å; Y49-I499 WeakPolarHBondContact CE2-O 3.39Å; L52-I499 HydrophobicContact CD1-CD1 4.26Å; G474-I499 PolarHBondContact O-N 3.2Å; V476-I499 HydrophobicContact CB-CD1 4.19Å; V476-I499 HydrophobicContact CB-CG1 4.16Å; V476-I499 HydrophobicContact CG2-CD1 4.12Å; V476-I499 HydrophobicContact CG2-CG1 3.71Å; L497-I499 HydrophobicContact CB-CD1 3.82Å; L497-I499 PolarHBondContact O-N 2.8Å; I499-I520 HydrophobicContact CD1-CD1 4.05Å; I499-I520 HydrophobicContact CG1-CD1 4.05Å; I499-I520 HydrophobicContact CG2-CB 4.49Å; I499-I520 HydrophobicContact CG2-CD1 4.07Å; I499-I520 HydrophobicContact CG2-CG2 4.34Å; I499-V527 HydrophobicContact CG2-CB 3.7Å; I499-V527 HydrophobicContact CG2-CG1 3.78Å; I499-V527 HydrophobicContact CG2-CG2 3.73Å; I499-L529 HydrophobicContact CD1-CD1 4.2Å; I499-L529 HydrophobicContact CD1-CD2 3.87Å
500	F	90.5	Very high	93.2	Very high	14 Å²	14	35.8 Å²	35.8	6%	0.061	18%	0.178	C	C	.	.	S	Bend	trans	-111.1	149.2	-177.6	-59.9	-75.6	0	0	0	111.3	H502 I506 I520 V527	F500-H502 VanDerWaalsContact C-N 3.25Å; F500-H502 VanDerWaalsContact CB-O 3.32Å; F500-H502 WeakPolarHBondContact CB-O 3.46Å; F500-H502 PolarHBondContact O-N 3.16Å; F500-I506 HydrophobicContact CE2-CG1 4.19Å; F500-I520 HydrophobicContact CE2-CG2 4.27Å; F500-I520 HydrophobicContact CZ-CG2 4.31Å; F500-V527 HydrophobicContact CD1-CG2 4.3Å; F500-V527 HydrophobicContact CE1-CG2 3.81Å; F500-V527 HydrophobicContact CZ-CG2 4.35Å
501	K	88.4	Confident	93.7	Very high	144 Å²	144	34.3 Å²	34.3	63%	0.626	17%	0.171	S	C	*	.	S	Bend	trans	-59.7	-37.6	176.7	-176.9	-176.5	172.8	-167.4	0	112.2	Y49	Y49-K501 HydrophobicContact CD1-CB 3.83Å; Y49-K501 HydrophobicContact CD1-CG 4.29Å; Y49-K501 HydrophobicContact CE1-CB 3.85Å; Y49-K501 HydrophobicContact CE1-CG 4.43Å; Y49-K501 HydrophobicContact CG-CB 4.36Å
502	H	89.3	Confident	94	Very high	117 Å²	117	32.6 Å²	32.6	54%	0.542	16%	0.163	S	C	.	.	S	Bend	trans	-116.1	146.7	177.5	-60.5	-63.6	0	0	0	109.2	F500 S504	F500-H502 VanDerWaalsContact C-N 3.25Å; F500-H502 VanDerWaalsContact CB-O 3.32Å; F500-H502 WeakPolarHBondContact CB-O 3.46Å; F500-H502 PolarHBondContact O-N 3.16Å; H502-S504 PolarHBondContact O-N 2.91Å
503	P	91.6	Very high	94.1	Very high	98 Å²	98	36 Å²	36	64%	0.636	18%	0.181	S	C	*	.			trans	-58.3	122.1	177.6	-23.9	34	0	0	0	111	I473	I473-P503 HydrophobicContact CB-CB 4.46Å; I473-P503 VanDerWaalsContact O-CA 3.26Å; I473-P503 WeakPolarHBondContact O-CA 3.42Å
504	S	91.9	Very high	94	Very high	10 Å²	10	42.3 Å²	42.3	7%	0.07	21%	0.208	C	C	.	.			trans	-149.1	134.1	-177.9	-154.9	0	0	0	0	110.5	I473 G474 H502 I506 S522 D524	I473-S504 CarbonylContact C-O 3.59Å; I473-S504 PolarHBondContact O-N 3.15Å; G474-S504 WeakPolarHBondContact CA-O 3.28Å; G474-S504 PolarHBondContact N-O 2.93Å; H502-S504 PolarHBondContact O-N 2.91Å; S504-I506 PolarHBondContact O-N 2.87Å; S504-S522 WeakPolarHBondContact CB-OG 3.19Å; S504-S522 PolarHBondContact OG-OG 3.19Å; S504-D524 WeakPolarHBondContact CB-OD2 3.34Å; S504-D524 PolarHBondContact OG-OD2 3.36Å
505	I	94.1	Very high	93.8	Very high	53 Å²	53	45.9 Å²	45.9	27%	0.272	23%	0.225	S	C	.	.			trans	-59	132.7	-176.3	178.8	158.5	0	0	0	111.3	T450 D472 L507 S522 R523	T450-I505 HydrophobicContact CG2-CD1 4.01Å; T450-I505 HydrophobicContact CG2-CG1 4.12Å; D472-I505 HydrophobicContact CB-CD1 4.22Å; D472-I505 HydrophobicContact CB-CG1 4.4Å; I505-L507 HydrophobicContact CD1-CD2 4.43Å; I505-L507 HydrophobicContact CG1-CD2 4.12Å; I505-L507 HydrophobicContact CG2-CD2 3.82Å; I505-L507 HydrophobicContact CG2-CG 4.2Å; I505-L507 PolarHBondContact O-N 2.87Å; I505-S522 VanDerWaalsContact O-CB 3.29Å; I505-S522 WeakPolarHBondContact O-CB 3.03Å; I505-S522 PolarHBondContact O-OG 3.46Å; I505-R523 HydrophobicContact CG2-CG 4.23Å
506	I	95.9	Very high	93.6	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	118.9	168.5	-68.4	170.2	0	0	0	108.1	T450 Q451 T471 T475 V476 F500 S504 M509 I520	T450-I506 PolarHBondContact OG1-O 3.49Å; Q451-I506 HydrophobicContact CB-CG2 4.23Å; Q451-I506 HydrophobicContact CG-CG2 4.02Å; T471-I506 PolarHBondContact O-N 2.94Å; T475-I506 VanDerWaalsContact O-CD1 3.23Å; T475-I506 WeakPolarHBondContact O-CD1 3.39Å; V476-I506 HydrophobicContact CG2-CD1 3.61Å; F500-I506 HydrophobicContact CE2-CG1 4.19Å; S504-I506 PolarHBondContact O-N 2.87Å; I506-M509 HydrophobicContact CG2-CG 3.65Å; I506-M509 HydrophobicContact CG2-SD 3.89Å; I506-I520 HydrophobicContact CB-CG2 4.46Å; I506-I520 HydrophobicContact CD1-CG2 4Å; I506-I520 HydrophobicContact CG1-CG2 3.87Å; I506-I520 HydrophobicContact CG2-CG2 3.82Å
507	L	93.9	Very high	93.6	Very high	47 Å²	47	48.4 Å²	48.4	25%	0.246	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-30.6	-173.8	-65.3	173.8	0	0	0	112.8	D69 Q71 I505 G521 R523	D69-L507 WeakPolarHBondContact OD1-CD1 3.45Å; Q71-L507 HydrophobicContact CG-CD1 4.03Å; I505-L507 HydrophobicContact CD1-CD2 4.43Å; I505-L507 HydrophobicContact CG1-CD2 4.12Å; I505-L507 HydrophobicContact CG2-CD2 3.82Å; I505-L507 HydrophobicContact CG2-CG 4.2Å; I505-L507 PolarHBondContact O-N 2.87Å; L507-G521 PolarHBondContact N-O 3.38Å; L507-R523 HydrophobicContact CD1-CG 3.86Å
508	N	93.6	Very high	93.6	Very high	14 Å²	14	48.3 Å²	48.3	8%	0.075	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	156.1	177.3	57.5	36.3	0	0	0	111	F70 Q71 T72 L73 G521	F70-N508 PolarHBondContact O-ND2 3.48Å; Q71-N508 PolarHBondContact O-ND2 3.3Å; T72-N508 PolarHBondContact N-ND2 3.32Å; L73-N508 HydrophobicContact CD1-CB 4.46Å; L73-N508 WeakPolarHBondContact CD1-OD1 3.34Å; N508-G521 PolarHBondContact N-O 3.01Å; N508-G521 PolarHBondContact O-N 3.27Å; N508-G521 VanDerWaalsContact O-N 3.16Å; N508-G521 WeakPolarHBondContact OD1-CA 3.4Å; N508-G521 PolarHBondContact OD1-N 3.49Å
509	M	96.9	Very high	93.7	Very high	9 Å²	9	45.2 Å²	45.2	4%	0.044	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	130.4	175.5	-67.1	177.9	61.9	0	0	109.5	Q451 V453 F468 V476 I506 L518 Y519 I520	Q451-M509 HydrophobicContact CB-CB 4.44Å; Q451-M509 HydrophobicContact CB-CG 3.91Å; Q451-M509 HydrophobicContact CB-SD 3.62Å; Q451-M509 HydrophobicContact CG-CG 4.47Å; V453-M509 HydrophobicContact CG1-CB 3.98Å; V453-M509 WeakPolarHBondContact CG1-O 3.32Å; V453-M509 HydrophobicContact CG2-CE 4.21Å; F468-M509 HydrophobicContact CB-CE 3.85Å; V476-M509 HydrophobicContact CG1-CE 4.3Å; V476-M509 HydrophobicContact CG2-CE 4.14Å; I506-M509 HydrophobicContact CG2-CG 3.65Å; I506-M509 HydrophobicContact CG2-SD 3.89Å; M509-L518 HydrophobicContact CB-CD1 4.32Å; M509-L518 HydrophobicContact CE-CD1 4.01Å; M509-L518 HydrophobicContact CE-CD2 3.54Å; M509-L518 HydrophobicContact CE-CG 4.12Å; M509-Y519 CarbonylContact C-O 3.44Å; M509-Y519 VanDerWaalsContact CA-O 3.31Å; M509-Y519 WeakPolarHBondContact CA-O 3.4Å; M509-I520 HydrophobicContact CG-CG1 4.42Å; M509-I520 HydrophobicContact CG-CG2 4.44Å
510	E	96.5	Very high	93.8	Very high	68 Å²	68	45.2 Å²	45.2	32%	0.318	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	127.7	177.5	-76.1	-65.6	172.4	0	0	111	L73 Y519	L73-E510 HydrophobicContact CB-CG 3.6Å; L73-E510 HydrophobicContact CD1-CB 4.18Å; L73-E510 HydrophobicContact CD1-CG 3.97Å; L73-E510 HydrophobicContact CG-CG 4.44Å; E510-Y519 PolarHBondContact N-O 2.85Å; E510-Y519 PolarHBondContact O-N 3.24Å
511	L	96.5	Very high	94	Very high	16 Å²	16	44.6 Å²	44.6	8%	0.084	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	119.3	-175.7	178.5	63	0	0	0	110.7	L75 V453 D455 L513 L531	L75-L511 WeakPolarHBondContact CD2-O 3.36Å; V453-L511 HydrophobicContact CB-CB 4.14Å; V453-L511 HydrophobicContact CG1-CB 4.43Å; V453-L511 HydrophobicContact CG2-CB 4.13Å; D455-L511 HydrophobicContact CB-CD2 3.97Å; L511-L513 HydrophobicContact CD1-CD2 4.46Å; L511-L513 HydrophobicContact CD2-CD2 3.73Å; L511-L513 HydrophobicContact CG-CD2 3.92Å; L511-L531 HydrophobicContact CD1-CD1 3.74Å; L511-L531 HydrophobicContact CD1-CD2 3.45Å; L511-L531 VanDerWaalsContact CD1-CD2 3.45Å; L511-L531 HydrophobicContact CD1-CG 4.21Å
512	S	95.4	Very high	94.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	108.5	168.2	177.9	0	0	0	0	110.9	E77 Q515 Q516 Q517	E77-S512 WeakPolarHBondContact OE1-CA 3.21Å; E77-S512 WeakPolarHBondContact OE1-CB 3.22Å; E77-S512 PolarHBondContact OE1-OG 3.24Å; S512-Q515 WeakPolarHBondContact OG-CB 3.32Å; S512-Q515 PolarHBondContact OG-N 2.96Å; S512-Q515 VanDerWaalsContact OG-N 3.15Å; S512-Q516 VanDerWaalsContact O-CA 3.29Å; S512-Q516 WeakPolarHBondContact O-CA 3.45Å; S512-Q516 PolarHBondContact O-N 3.45Å; S512-Q517 PolarHBondContact N-O 2.83Å; S512-Q517 PolarHBondContact O-N 3.48Å
513	L	92.1	Very high	94.2	Very high	80 Å²	80	37 Å²	37	42%	0.419	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-33.2	175.5	-60.8	-179.3	0	0	0	111.5	E77 D455 L511 Q516	E77-L513 PolarHBondContact OE1-N 2.67Å; D455-L513 HydrophobicContact CB-CD2 4.35Å; D455-L513 VanDerWaalsContact CG-CD2 3.47Å; D455-L513 VanDerWaalsContact OD1-CD2 3.23Å; D455-L513 WeakPolarHBondContact OD1-CD2 3.03Å; L511-L513 HydrophobicContact CD1-CD2 4.46Å; L511-L513 HydrophobicContact CD2-CD2 3.73Å; L511-L513 HydrophobicContact CG-CD2 3.92Å; L513-Q516 WeakPolarHBondContact O-CG 3.16Å; L513-Q516 PolarHBondContact O-NE2 2.91Å
514	K	92.1	Very high	93.8	Very high	134 Å²	134	36.8 Å²	36.8	58%	0.583	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-41.3	179.4	-66.6	-176.1	-163.5	166.9	0	112.5	E77	E77-K514 HydrophobicContact CB-CD 4.16Å; E77-K514 PolarHBondContact OE1-N 2.85Å; E77-K514 VanDerWaalsContact OE1-N 3.08Å; E77-K514 WeakPolarHBondContact OE2-CE 3.38Å
515	Q	91.6	Very high	93.7	Very high	76 Å²	76	36.9 Å²	36.9	36%	0.355	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-15.4	178.7	-60.9	-63.7	-29.1	0	0	112.7	L95 S512 Q517	L95-Q515 HydrophobicContact CB-CG 4.02Å; L95-Q515 HydrophobicContact CD1-CG 4.37Å; S512-Q515 WeakPolarHBondContact OG-CB 3.32Å; S512-Q515 PolarHBondContact OG-N 2.96Å; S512-Q515 VanDerWaalsContact OG-N 3.15Å; Q515-Q517 VanDerWaalsContact C-N 3.33Å; Q515-Q517 HydrophobicContact CB-CB 4.32Å; Q515-Q517 HydrophobicContact CB-CG 3.89Å; Q515-Q517 WeakPolarHBondContact O-CG 3.45Å
516	Q	93.2	Very high	93.7	Very high	31 Å²	31	34.4 Å²	34.4	15%	0.145	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	47.7	-174.6	-64.2	-79.7	-64	0	0	111.2	S512 L513 L531 R561	S512-Q516 VanDerWaalsContact O-CA 3.29Å; S512-Q516 WeakPolarHBondContact O-CA 3.45Å; S512-Q516 PolarHBondContact O-N 3.45Å; L513-Q516 WeakPolarHBondContact O-CG 3.16Å; L513-Q516 PolarHBondContact O-NE2 2.91Å; Q516-L531 HydrophobicContact CB-CD1 4.31Å; Q516-L531 PolarHBondContact O-N 3.3Å; Q516-R561 VanDerWaalsContact OE1-CZ 3.23Å
517	Q	95.6	Very high	93.6	Very high	38 Å²	38	34.5 Å²	34.5	18%	0.178	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	153.1	-176.7	-57.4	-63.4	-34.3	0	0	110.7	S512 Q515 Y519 Q528 L529 S530	S512-Q517 PolarHBondContact N-O 2.83Å; S512-Q517 PolarHBondContact O-N 3.48Å; Q515-Q517 VanDerWaalsContact C-N 3.33Å; Q515-Q517 HydrophobicContact CB-CB 4.32Å; Q515-Q517 HydrophobicContact CB-CG 3.89Å; Q515-Q517 WeakPolarHBondContact O-CG 3.45Å; Q517-Y519 HydrophobicContact CB-CE2 4.33Å; Q517-Q528 HydrophobicContact CB-CG 4.25Å; Q517-Q528 HydrophobicContact CG-CG 4.26Å; Q517-L529 CarbonylContact C-O 3.49Å; Q517-L529 WeakPolarHBondContact CA-O 3.25Å; Q517-L529 VanDerWaalsContact OE1-C 3.29Å; Q517-L529 PolarHBondContact OE1-O 3.04Å; Q517-S530 VanDerWaalsContact OE1-CA 3.29Å
518	L	97.3	Very high	93.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	125.4	174.1	-177.4	57	0	0	0	108.9	V453 F468 V476 M509 I520 L529 L531	V453-L518 HydrophobicContact CG2-CD1 3.55Å; F468-L518 HydrophobicContact CB-CD2 3.82Å; F468-L518 HydrophobicContact CD1-CD2 3.84Å; F468-L518 HydrophobicContact CG-CD2 3.87Å; V476-L518 HydrophobicContact CG1-CD2 4.49Å; M509-L518 HydrophobicContact CB-CD1 4.32Å; M509-L518 HydrophobicContact CE-CD1 4.01Å; M509-L518 HydrophobicContact CE-CD2 3.54Å; M509-L518 HydrophobicContact CE-CG 4.12Å; L518-I520 HydrophobicContact CD2-CD1 4.2Å; L518-I520 HydrophobicContact CD2-CG1 4.33Å; L518-I520 HydrophobicContact CG-CD1 4.19Å; L518-I520 HydrophobicContact CG-CG1 3.9Å; L518-L529 HydrophobicContact CB-CB 4.34Å; L518-L529 HydrophobicContact CD2-CD2 4.22Å; L518-L529 PolarHBondContact N-O 3.43Å; L518-L529 PolarHBondContact O-N 3.28Å; L518-L531 HydrophobicContact CB-CD2 3.87Å
519	Y	97.1	Very high	93.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	126.5	176.5	-57.1	-79.5	0	0	0	109.2	L75 L82 L95 L98 M509 E510 Q517 V527 Q528	L75-Y519 HydrophobicContact CD1-CD2 4.43Å; L75-Y519 HydrophobicContact CD1-CE2 4.1Å; L82-Y519 HydrophobicContact CD2-CD1 3.69Å; L82-Y519 HydrophobicContact CD2-CD2 4.49Å; L82-Y519 HydrophobicContact CD2-CE1 4.24Å; L82-Y519 HydrophobicContact CD2-CG 3.84Å; L95-Y519 WeakPolarHBondContact CA-OH 3.2Å; L95-Y519 WeakPolarHBondContact CB-OH 3.05Å; L95-Y519 HydrophobicContact CD2-CE1 4.28Å; L95-Y519 HydrophobicContact CD2-CE2 3.7Å; L95-Y519 WeakPolarHBondContact CD2-OH 3.44Å; L95-Y519 PolarHBondContact O-OH 3.25Å; L98-Y519 HydrophobicContact CD2-CD1 4.14Å; L98-Y519 HydrophobicContact CD2-CE1 3.9Å; M509-Y519 CarbonylContact C-O 3.44Å; M509-Y519 VanDerWaalsContact CA-O 3.31Å; M509-Y519 WeakPolarHBondContact CA-O 3.4Å; E510-Y519 PolarHBondContact N-O 2.85Å; E510-Y519 PolarHBondContact O-N 3.24Å; Q517-Y519 HydrophobicContact CB-CE2 4.33Å; Y519-V527 CarbonylContact C-O 3.56Å; Y519-V527 WeakPolarHBondContact CA-O 3.45Å; Y519-Q528 HydrophobicContact CD1-CB 4.11Å; Y519-Q528 HydrophobicContact CD1-CG 4.35Å; Y519-Q528 HydrophobicContact CE1-CB 4.04Å; Y519-Q528 HydrophobicContact CE1-CG 3.87Å
520	I	96.3	Very high	93.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	114.3	-170	-55.4	162	0	0	0	108.9	V476 I499 F500 I506 M509 L518 L526 V527 L529	V476-I520 HydrophobicContact CG2-CD1 3.79Å; I499-I520 HydrophobicContact CD1-CD1 4.05Å; I499-I520 HydrophobicContact CG1-CD1 4.05Å; I499-I520 HydrophobicContact CG2-CB 4.49Å; I499-I520 HydrophobicContact CG2-CD1 4.07Å; I499-I520 HydrophobicContact CG2-CG2 4.34Å; F500-I520 HydrophobicContact CE2-CG2 4.27Å; F500-I520 HydrophobicContact CZ-CG2 4.31Å; I506-I520 HydrophobicContact CB-CG2 4.46Å; I506-I520 HydrophobicContact CD1-CG2 4Å; I506-I520 HydrophobicContact CG1-CG2 3.87Å; I506-I520 HydrophobicContact CG2-CG2 3.82Å; M509-I520 HydrophobicContact CG-CG1 4.42Å; M509-I520 HydrophobicContact CG-CG2 4.44Å; L518-I520 HydrophobicContact CD2-CD1 4.2Å; L518-I520 HydrophobicContact CD2-CG1 4.33Å; L518-I520 HydrophobicContact CG-CD1 4.19Å; L518-I520 HydrophobicContact CG-CG1 3.9Å; I520-L526 WeakPolarHBondContact O-CA 3.15Å; I520-V527 PolarHBondContact N-O 2.97Å; I520-V527 PolarHBondContact O-N 2.78Å; I520-L529 HydrophobicContact CD1-CB 4Å; I520-L529 HydrophobicContact CD1-CD2 3.84Å
521	G	94.5	Very high	93.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	143.2	176.6	0	0	0	0	0	112.7	L507 N508	L507-G521 PolarHBondContact N-O 3.38Å; N508-G521 PolarHBondContact N-O 3.01Å; N508-G521 PolarHBondContact O-N 3.27Å; N508-G521 VanDerWaalsContact O-N 3.16Å; N508-G521 WeakPolarHBondContact OD1-CA 3.4Å; N508-G521 PolarHBondContact OD1-N 3.49Å
522	S	93.3	Very high	93.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	179.7	178.1	-175.9	0	0	0	0	110.6	F70 S504 I505 D524 G525	F70-S522 VanDerWaalsContact CB-O 3.27Å; F70-S522 WeakPolarHBondContact CB-O 3.47Å; F70-S522 WeakPolarHBondContact CD2-O 3.23Å; F70-S522 PolarHBondContact N-O 2.65Å; S504-S522 WeakPolarHBondContact CB-OG 3.19Å; S504-S522 PolarHBondContact OG-OG 3.19Å; I505-S522 VanDerWaalsContact O-CB 3.29Å; I505-S522 WeakPolarHBondContact O-CB 3.03Å; I505-S522 PolarHBondContact O-OG 3.46Å; S522-D524 PolarHBondContact O-N 2.93Å; S522-G525 PolarHBondContact N-O 3.38Å
523	R	88.5	Confident	93.5	Very high	103 Å²	103	31 Å²	31	39%	0.389	15%	0.149	S	C	.	.	S	Bend	trans	-61.5	-32.8	175	-65	-172.4	174.5	-174.4	-2.3	112.2	D69 I505 L507	D69-R523 WeakPolarHBondContact CA-O 3.36Å; D69-R523 PolarHBondContact N-O 3.12Å; I505-R523 HydrophobicContact CG2-CG 4.23Å; L507-R523 HydrophobicContact CD1-CG 3.86Å
524	D	83.6	Confident	93.6	Very high	93 Å²	93	27.3 Å²	27.3	50%	0.497	13%	0.13	S	C	.	.	S	Bend	trans	-100.7	-17.1	-169.3	-60	-38.9	0	0	0	114.3	S504 S522	S504-D524 WeakPolarHBondContact CB-OD2 3.34Å; S504-D524 PolarHBondContact OG-OD2 3.36Å; S522-D524 PolarHBondContact O-N 2.93Å
525	G	89.8	Confident	93.5	Very high	11 Å²	11	26.7 Å²	26.7	11%	0.113	13%	0.133	C	C	.	.			trans	-174.9	168.6	-174.3	0	0	0	0	0	115.2	F70 S522	F70-G525 WeakPolarHBondContact CD2-O 3.36Å; S522-G525 PolarHBondContact N-O 3.38Å
526	L	93.6	Very high	93.5	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	136.6	163.4	174.6	69.4	0	0	0	108.4	F61 L73 L82 L84 L93 L98 I520	F61-L526 HydrophobicContact CB-CB 3.95Å; F61-L526 HydrophobicContact CB-CD2 4.41Å; F61-L526 HydrophobicContact CB-CG 4.44Å; F61-L526 WeakPolarHBondContact CB-O 3.37Å; F61-L526 PolarHBondContact N-O 3.48Å; L73-L526 HydrophobicContact CD1-CD1 4.32Å; L73-L526 HydrophobicContact CD2-CD1 3.94Å; L82-L526 HydrophobicContact CD2-CD2 4.03Å; L84-L526 HydrophobicContact CD2-CB 4.28Å; L84-L526 HydrophobicContact CD2-CD2 3.75Å; L93-L526 HydrophobicContact CD1-CD2 3.38Å; L98-L526 HydrophobicContact CD1-CD2 3.95Å; L98-L526 HydrophobicContact CD1-CG 4.12Å; L98-L526 HydrophobicContact CD2-CD2 4.36Å; I520-L526 WeakPolarHBondContact O-CA 3.15Å
527	V	94.3	Very high	93.4	Very high	3 Å²	3	23.5 Å²	23.5	2%	0.018	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	136.2	176.1	166.9	0	0	0	0	110.4	C58 P60 I499 F500 Y519 I520 L529	C58-V527 HydrophobicContact CB-CG1 4.18Å; C58-V527 WeakPolarHBondContact SG-CG1 3.3Å; P60-V527 HydrophobicContact CB-CG2 4.38Å; I499-V527 HydrophobicContact CG2-CB 3.7Å; I499-V527 HydrophobicContact CG2-CG1 3.78Å; I499-V527 HydrophobicContact CG2-CG2 3.73Å; F500-V527 HydrophobicContact CD1-CG2 4.3Å; F500-V527 HydrophobicContact CE1-CG2 3.81Å; F500-V527 HydrophobicContact CZ-CG2 4.35Å; Y519-V527 CarbonylContact C-O 3.56Å; Y519-V527 WeakPolarHBondContact CA-O 3.45Å; I520-V527 PolarHBondContact N-O 2.97Å; I520-V527 PolarHBondContact O-N 2.78Å; V527-L529 HydrophobicContact CG1-CB 4.42Å
528	Q	95.4	Very high	92.9	Very high	7 Å²	7	21.8 Å²	21.8	3%	0.033	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	122.9	162.4	172.7	-179	1.2	0	0	109	C58 I59 L95 L98 Q517 Y519	C58-Q528 CarbonylContact C-O 3.5Å; C58-Q528 WeakPolarHBondContact CA-O 3.34Å; I59-Q528 HydrophobicContact CB-CB 4.35Å; I59-Q528 PolarHBondContact N-O 2.96Å; I59-Q528 PolarHBondContact O-N 3.08Å; L95-Q528 PolarHBondContact O-NE2 2.87Å; L98-Q528 HydrophobicContact CD1-CB 3.63Å; L98-Q528 HydrophobicContact CG-CB 4.1Å; Q517-Q528 HydrophobicContact CB-CG 4.25Å; Q517-Q528 HydrophobicContact CG-CG 4.26Å; Y519-Q528 HydrophobicContact CD1-CB 4.11Å; Y519-Q528 HydrophobicContact CD1-CG 4.35Å; Y519-Q528 HydrophobicContact CE1-CB 4.04Å; Y519-Q528 HydrophobicContact CE1-CG 3.87Å
529	L	96.1	Very high	92.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	131.1	-176.8	179.6	74.9	0	0	0	110.3	L52 C58 L497 I499 Q517 L518 I520 V527	L52-L529 HydrophobicContact CD2-CD1 4.43Å; C58-L529 HydrophobicContact CB-CD1 4.32Å; L497-L529 HydrophobicContact CD1-CD1 4.31Å; L497-L529 HydrophobicContact CD1-CD2 3.82Å; I499-L529 HydrophobicContact CD1-CD1 4.2Å; I499-L529 HydrophobicContact CD1-CD2 3.87Å; Q517-L529 CarbonylContact C-O 3.49Å; Q517-L529 WeakPolarHBondContact CA-O 3.25Å; Q517-L529 VanDerWaalsContact OE1-C 3.29Å; Q517-L529 PolarHBondContact OE1-O 3.04Å; L518-L529 HydrophobicContact CB-CB 4.34Å; L518-L529 HydrophobicContact CD2-CD2 4.22Å; L518-L529 PolarHBondContact N-O 3.43Å; L518-L529 PolarHBondContact O-N 3.28Å; I520-L529 HydrophobicContact CD1-CB 4Å; I520-L529 HydrophobicContact CD1-CD2 3.84Å; V527-L529 HydrophobicContact CG1-CB 4.42Å
530	S	95.6	Very high	91.6	Very high	21 Å²	21	33 Å²	33	15%	0.147	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	136.7	173.3	-168.7	0	0	0	0	111.4	S57 Q517 H532	S57-S530 PolarHBondContact O-N 3.04Å; Q517-S530 VanDerWaalsContact OE1-CA 3.29Å; S530-H532 WeakPolarHBondContact CB-O 3.43Å; S530-H532 PolarHBondContact O-N 3.43Å; S530-H532 PolarHBondContact OG-N 3.34Å; S530-H532 PolarHBondContact OG-O 2.83Å
531	L	95.6	Very high	91.2	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	17%	0.174	C	C	.	.	S	Bend	trans	-63.1	-26.1	172.9	-52.7	178.8	0	0	0	112.3	F468 K478 L511 Q516 L518 Y551	F468-L531 HydrophobicContact CE1-CD2 4.14Å; F468-L531 HydrophobicContact CE2-CD2 3.89Å; F468-L531 HydrophobicContact CZ-CB 4.06Å; F468-L531 HydrophobicContact CZ-CD2 3.62Å; F468-L531 HydrophobicContact CZ-CG 4.38Å; K478-L531 PolarHBondContact NZ-O 2.88Å; L511-L531 HydrophobicContact CD1-CD1 3.74Å; L511-L531 HydrophobicContact CD1-CD2 3.45Å; L511-L531 VanDerWaalsContact CD1-CD2 3.45Å; L511-L531 HydrophobicContact CD1-CG 4.21Å; Q516-L531 HydrophobicContact CB-CD1 4.31Å; Q516-L531 PolarHBondContact O-N 3.3Å; L518-L531 HydrophobicContact CB-CD2 3.87Å; L531-Y551 HydrophobicContact CB-CE1 4.13Å; L531-Y551 HydrophobicContact CD1-CE1 4.3Å
532	H	93.8	Very high	90.9	Very high	43 Å²	43	34.1 Å²	34.1	20%	0.199	18%	0.178	C	C	.	.			trans	-97.8	135.2	-177.6	96.7	76.8	0	0	0	120.9	S530 Y551 R561	S530-H532 WeakPolarHBondContact CB-O 3.43Å; S530-H532 PolarHBondContact O-N 3.43Å; S530-H532 PolarHBondContact OG-N 3.34Å; S530-H532 PolarHBondContact OG-O 2.83Å; H532-Y551 HydrophobicContact CB-CG 4.21Å; H532-R561 PolarHBondContact CD2-NH1 2.86Å; H532-R561 PolarHBondContact NE2-NH1 3.26Å
533	R	93.9	Very high	90.7	Very high	9 Å²	9	35.7 Å²	35.7	3%	0.034	19%	0.186	C	C	.	.			trans	-159.2	50	164.3	49.4	-175.4	60	-74.6	-33.8	114.7	S55 S57 E495 D535 T536	S55-R533 PolarHBondContact OG-NH1 3.39Å; S57-R533 PolarHBondContact OG-NH1 3.17Å; S57-R533 PolarHBondContact OG-NH2 3.01Å; E495-R533 WeakPolarHBondContact OE1-CD 3.02Å; E495-R533 WeakPolarHBondContact OE1-CG 3.21Å; R533-D535 PolarHBondContact O-N 3.05Å; R533-D535 VanDerWaalsContact O-N 3.11Å; R533-T536 HydrophobicContact CB-CG2 4.04Å; R533-T536 WeakPolarHBondContact O-CB 3.37Å; R533-T536 PolarHBondContact O-N 3.23Å; R533-T536 PolarHBondContact O-OG1 3.32Å
534	C	93.9	Very high	90.8	Very high	3 Å²	3	31 Å²	31	2%	0.02	17%	0.17	C	C	.	.	H	α-helix	trans	-55.4	-36.8	-168.5	-52.2	0	0	0	0	114.1	T536 Y537 C552 C559	C534-T536 PolarHBondContact O-N 2.95Å; C534-T536 VanDerWaalsContact O-N 3.09Å; C534-Y537 PolarHBondContact O-N 2.92Å; C534-C552 WeakPolarHBondContact CA-SG 3.19Å; C534-C552 HydrophobicContact CB-CB 3.65Å; C534-C552 WeakPolarHBondContact CB-SG 3.12Å; C534-C552 WeakPolarHBondContact SG-CA 3.26Å; C534-C552 WeakPolarHBondContact SG-CB 3.37Å; C534-C552 CovalentContact SG-SG 2.04Å; C534-C552 PolarHBondContact SG-SG 3.34Å; C534-C559 CarbonylContact C-O 3.59Å; C534-C559 VanDerWaalsContact C-O 3.28Å; C534-C559 WeakPolarHBondContact CB-O 3.38Å; C534-C559 WeakPolarHBondContact O-CB 3.04Å; C534-C559 PolarHBondContact O-SG 3.31Å
535	D	91	Very high	91.1	Very high	121 Å²	121	26.8 Å²	26.8	65%	0.647	15%	0.147	S	C	*	.	H	α-helix	trans	-61.5	-21.4	178.9	-57.4	-54.2	0	0	0	113.8	R533 C559	R533-D535 PolarHBondContact O-N 3.05Å; R533-D535 VanDerWaalsContact O-N 3.11Å; D535-C559 PolarHBondContact N-O 2.95Å
536	T	91.6	Very high	91.2	Very high	34 Å²	34	26.4 Å²	26.4	21%	0.209	14%	0.142	C	C	.	.	H	α-helix	trans	-74.1	-30.3	-179	64.1	0	0	0	0	112.6	R533 C534 G538 K616	R533-T536 HydrophobicContact CB-CG2 4.04Å; R533-T536 WeakPolarHBondContact O-CB 3.37Å; R533-T536 PolarHBondContact O-N 3.23Å; R533-T536 PolarHBondContact O-OG1 3.32Å; C534-T536 PolarHBondContact O-N 2.95Å; C534-T536 VanDerWaalsContact O-N 3.09Å; T536-G538 VanDerWaalsContact C-N 3.33Å; T536-G538 PolarHBondContact O-N 2.9Å; T536-K616 PolarHBondContact O-NZ 2.91Å
537	Y	89.8	Confident	91.1	Very high	5 Å²	5	26.3 Å²	26.3	2%	0.02	14%	0.142	C	C	.	.	H	α-helix	trans	-62.1	-39.7	-178.6	-70.4	-62.9	0	0	0	112.4	L45 E495 C534 A547 D549 C552	L45-Y537 HydrophobicContact CD1-CD1 3.32Å; L45-Y537 HydrophobicContact CD1-CE1 3.36Å; L45-Y537 HydrophobicContact CD1-CG 4.2Å; L45-Y537 HydrophobicContact CG-CD1 3.97Å; L45-Y537 HydrophobicContact CG-CE1 3.93Å; E495-Y537 PolarHBondContact OE1-OH 2.6Å; C534-Y537 PolarHBondContact O-N 2.92Å; Y537-A547 HydrophobicContact CD1-CB 3.46Å; Y537-A547 VanDerWaalsContact CD1-CB 3.46Å; Y537-A547 HydrophobicContact CD2-CB 3.7Å; Y537-A547 HydrophobicContact CE1-CB 3.75Å; Y537-A547 HydrophobicContact CE2-CB 3.99Å; Y537-A547 HydrophobicContact CG-CB 3.45Å; Y537-A547 VanDerWaalsContact CG-CB 3.45Å; Y537-D549 HydrophobicContact CE2-CB 3.75Å; Y537-D549 WeakPolarHBondContact CE2-OD2 3.2Å; Y537-D549 WeakPolarHBondContact OH-CB 3.09Å; Y537-D549 PolarHBondContact OH-OD2 2.94Å; Y537-C552 HydrophobicContact CE2-CB 4.45Å
538	G	85.4	Confident	91.1	Very high	3 Å²	3	26.7 Å²	26.7	3%	0.031	14%	0.143	C	C	.	.			trans	162.3	174.1	-178	0	0	0	0	0	113.7	T536 D543	T536-G538 VanDerWaalsContact C-N 3.33Å; T536-G538 PolarHBondContact O-N 2.9Å; G538-D543 WeakPolarHBondContact CA-OD2 3.27Å
539	K	83.4	Confident	91.1	Very high	191 Å²	191	26.4 Å²	26.4	83%	0.83	14%	0.142	S	C	*	.	S	Bend	trans	-104	-6.1	178.4	-65.9	-175.5	179.3	179	0	112.4	W554	K539-W554 WeakPolarHBondContact O-CH2 3.4Å; K539-W554 VanDerWaalsContact O-CZ3 3.27Å; K539-W554 WeakPolarHBondContact O-CZ3 3.34Å
540	A	85	Confident	91.1	Very high	45 Å²	45	26.4 Å²	26.4	37%	0.372	14%	0.142	S	C	.	.	S	Bend	trans	-103	153.4	178.5	0	0	0	0	0	111.4	A542 D543 C544 W554	A540-A542 PolarHBondContact O-N 2.86Å; A540-D543 PolarHBondContact N-OD2 3.22Å; A540-D543 PolarHBondContact O-N 3.17Å; A540-C544 PolarHBondContact O-N 3.22Å; A540-W554 VanDerWaalsContact C-CZ3 3.41Å
541	C	87.6	Confident	91.1	Very high	12 Å²	12	25.8 Å²	25.8	8%	0.081	14%	0.136	C	C	.	.	H	α-helix	trans	-54.4	-42.6	173.4	179.2	0	0	0	0	111.8	D543 C544 C545 W554 R572 C584	C541-D543 PolarHBondContact O-N 2.94Å; C541-C544 PolarHBondContact O-N 2.9Å; C541-C545 PolarHBondContact O-N 3.36Å; C541-W554 VanDerWaalsContact CA-CD2 3.48Å; C541-W554 HydrophobicContact CB-CD2 3.71Å; C541-W554 HydrophobicContact CB-CE3 4.27Å; C541-W554 HydrophobicContact CB-CG 3.82Å; C541-W554 HydrophobicContact CB-CZ2 4.36Å; C541-R572 VanDerWaalsContact SG-CD 3.52Å; C541-C584 HydrophobicContact CB-CB 3.77Å; C541-C584 WeakPolarHBondContact CB-SG 3.11Å; C541-C584 PolarHBondContact O-SG 2.93Å; C541-C584 WeakPolarHBondContact SG-CB 3.49Å; C541-C584 CovalentContact SG-SG 2.04Å; C541-C584 PolarHBondContact SG-SG 2.91Å
542	A	88.1	Confident	91.1	Very high	10 Å²	10	25.9 Å²	25.9	8%	0.083	14%	0.137	C	C	.	.	H	α-helix	trans	-62.6	-41.7	-179	0	0	0	0	0	112.5	A540 C544 C545 L546 P580 F672	A540-A542 PolarHBondContact O-N 2.86Å; A542-C544 VanDerWaalsContact C-N 3.3Å; A542-C544 PolarHBondContact O-N 3.38Å; A542-C545 PolarHBondContact O-N 2.74Å; A542-L546 WeakPolarHBondContact O-CB 3.39Å; A542-L546 WeakPolarHBondContact O-CD1 3.29Å; A542-L546 VanDerWaalsContact O-CG 3.24Å; A542-L546 WeakPolarHBondContact O-CG 3.49Å; A542-L546 PolarHBondContact O-N 3.14Å; A542-P580 HydrophobicContact CB-CB 3.72Å; A542-F672 HydrophobicContact CB-CE1 3.63Å; A542-F672 HydrophobicContact CB-CZ 3.59Å
543	D	87.9	Confident	91	Very high	34 Å²	34	24 Å²	24	18%	0.182	13%	0.129	C	C	.	.	H	α-helix	trans	-60.7	-41.3	177.3	-63.5	-32.8	0	0	0	111.7	G538 A540 C541 A547 H674	G538-D543 WeakPolarHBondContact CA-OD2 3.27Å; A540-D543 PolarHBondContact N-OD2 3.22Å; A540-D543 PolarHBondContact O-N 3.17Å; C541-D543 PolarHBondContact O-N 2.94Å; D543-A547 PolarHBondContact O-N 3.47Å; D543-A547 VanDerWaalsContact O-N 3.14Å; D543-H674 IonicContact OD1-CE1 2.7Å
544	C	91	Very high	90.9	Very high	5 Å²	5	24.4 Å²	24.4	3%	0.034	13%	0.13	C	C	.	.	H	α-helix	trans	-69.6	-41	179.8	-161.2	0	0	0	0	112.1	A540 C541 A542 A547 W554 C559	A540-C544 PolarHBondContact O-N 3.22Å; C541-C544 PolarHBondContact O-N 2.9Å; A542-C544 VanDerWaalsContact C-N 3.3Å; A542-C544 PolarHBondContact O-N 3.38Å; C544-A547 VanDerWaalsContact O-CB 3.23Å; C544-A547 WeakPolarHBondContact O-CB 3.47Å; C544-A547 PolarHBondContact O-N 3.44Å; C544-W554 HydrophobicContact CB-CB 4.29Å; C544-W554 HydrophobicContact CB-CE3 4.21Å; C544-W554 PolarHBondContact SG-N 3Å; C544-W554 VanDerWaalsContact SG-N 3.4Å; C544-C559 VanDerWaalsContact CA-SG 3.53Å; C544-C559 HydrophobicContact CB-CB 3.53Å; C544-C559 WeakPolarHBondContact CB-SG 3.35Å; C544-C559 WeakPolarHBondContact SG-CA 3.26Å; C544-C559 WeakPolarHBondContact SG-CB 3.31Å; C544-C559 CovalentContact SG-SG 2.04Å; C544-C559 PolarHBondContact SG-SG 2.93Å
545	C	90.6	Very high	90.6	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.02	14%	0.143	C	C	.	.	H	α-helix	trans	-65.9	-47.5	177.3	-171.4	0	0	0	0	111.3	C541 A542 A547 R548 D579 P580	C541-C545 PolarHBondContact O-N 3.36Å; A542-C545 PolarHBondContact O-N 2.74Å; C545-A547 PolarHBondContact O-N 3.33Å; C545-R548 PolarHBondContact O-N 3.23Å; C545-D579 VanDerWaalsContact SG-C 3.53Å; C545-D579 PolarHBondContact SG-O 2.78Å; C545-D579 VanDerWaalsContact SG-O 3.4Å; C545-P580 HydrophobicContact CB-CB 4.29Å
546	L	91.2	Very high	90.3	Very high	3 Å²	3	23.2 Å²	23.2	2%	0.016	14%	0.135	C	C	.	.	H	α-helix	trans	-61.9	-27	178	-71.8	164.3	0	0	0	112.1	R44 A542 R548 P580 E669 F672	R44-L546 VanDerWaalsContact CZ-O 3.26Å; R44-L546 PolarHBondContact NH1-O 3.22Å; A542-L546 WeakPolarHBondContact O-CB 3.39Å; A542-L546 WeakPolarHBondContact O-CD1 3.29Å; A542-L546 VanDerWaalsContact O-CG 3.24Å; A542-L546 WeakPolarHBondContact O-CG 3.49Å; A542-L546 PolarHBondContact O-N 3.14Å; L546-R548 WeakPolarHBondContact O-CG 3.36Å; L546-R548 PolarHBondContact O-N 3.29Å; L546-R548 VanDerWaalsContact O-N 3.14Å; L546-P580 HydrophobicContact CD1-CG 4.35Å; L546-P580 HydrophobicContact CD2-CG 4.08Å; L546-P580 HydrophobicContact CG-CG 4.02Å; L546-E669 HydrophobicContact CD2-CG 4.46Å; L546-F672 HydrophobicContact CD1-CD1 3.68Å; L546-F672 HydrophobicContact CD1-CE1 4.21Å; L546-F672 HydrophobicContact CD1-CG 4.44Å; L546-F672 HydrophobicContact CD2-CB 4.43Å
547	A	92.6	Very high	89.9	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-33.3	177.1	0	0	0	0	0	113.5	L494 Y537 D543 C544 C545 D549	L494-A547 VanDerWaalsContact CD2-O 3.28Å; L494-A547 WeakPolarHBondContact CD2-O 3.5Å; Y537-A547 HydrophobicContact CD1-CB 3.46Å; Y537-A547 VanDerWaalsContact CD1-CB 3.46Å; Y537-A547 HydrophobicContact CD2-CB 3.7Å; Y537-A547 HydrophobicContact CE1-CB 3.75Å; Y537-A547 HydrophobicContact CE2-CB 3.99Å; Y537-A547 HydrophobicContact CG-CB 3.45Å; Y537-A547 VanDerWaalsContact CG-CB 3.45Å; D543-A547 PolarHBondContact O-N 3.47Å; D543-A547 VanDerWaalsContact O-N 3.14Å; C544-A547 VanDerWaalsContact O-CB 3.23Å; C544-A547 WeakPolarHBondContact O-CB 3.47Å; C544-A547 PolarHBondContact O-N 3.44Å; C545-A547 PolarHBondContact O-N 3.33Å; A547-D549 PolarHBondContact O-N 2.87Å
548	R	93.8	Very high	89.9	Confident	10 Å²	10	29.4 Å²	29.4	4%	0.038	17%	0.17	C	C	.	.			trans	52	25.1	-178.5	-62.2	171.7	73.7	-174	6.4	113.3	E490 L494 C545 L546 P550 V575 K576	E490-R548 IonicContact OE1-CZ 3.63Å; E490-R548 IonicContact OE1-NH1 3.42Å; E490-R548 PolarHBondContact OE1-NH1 3.44Å; E490-R548 IonicContact OE1-NH2 3.65Å; E490-R548 IonicContact OE2-CZ 2.66Å; E490-R548 IonicContact OE2-NH1 2.62Å; E490-R548 PolarHBondContact OE2-NH1 2.81Å; E490-R548 IonicContact OE2-NH2 3.53Å; E490-R548 PolarHBondContact OE2-NH2 3.17Å; L494-R548 HydrophobicContact CD2-CB 4.44Å; C545-R548 PolarHBondContact O-N 3.23Å; L546-R548 WeakPolarHBondContact O-CG 3.36Å; L546-R548 PolarHBondContact O-N 3.29Å; L546-R548 VanDerWaalsContact O-N 3.14Å; R548-P550 WeakPolarHBondContact O-CD 3.42Å; R548-V575 PolarHBondContact NE-O 3.41Å; R548-K576 PolarHBondContact NH2-O 3.44Å
549	D	95.8	Very high	90.2	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.011	17%	0.169	C	C	.	.			trans	-86.6	115.8	178.9	-171.7	-22.8	0	0	0	109.3	K478 L494 Y537 A547 Y551 C552 Q573	K478-D549 IonicContact NZ-OD1 2.9Å; K478-D549 PolarHBondContact NZ-OD1 3.5Å; K478-D549 IonicContact NZ-OD2 3.73Å; K478-D549 PolarHBondContact NZ-OD2 2.94Å; L494-D549 HydrophobicContact CD1-CB 4.24Å; Y537-D549 HydrophobicContact CE2-CB 3.75Å; Y537-D549 WeakPolarHBondContact CE2-OD2 3.2Å; Y537-D549 WeakPolarHBondContact OH-CB 3.09Å; Y537-D549 PolarHBondContact OH-OD2 2.94Å; A547-D549 PolarHBondContact O-N 2.87Å; D549-Y551 PolarHBondContact O-N 2.78Å; D549-Y551 WeakPolarHBondContact OD1-CB 3.46Å; D549-Y551 VanDerWaalsContact OD1-CD2 3.27Å; D549-Y551 WeakPolarHBondContact OD1-CD2 3.43Å; D549-Y551 PolarHBondContact OD1-N 2.85Å; D549-C552 HydrophobicContact CB-CB 4.12Å; D549-C552 PolarHBondContact O-N 2.9Å; D549-C552 VanDerWaalsContact O-O 3.1Å; D549-Q573 PolarHBondContact O-NE2 3.23Å
550	P	95.6	Very high	90.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-24.1	-178.9	-25.5	35.3	0	0	0	113.9	V457 A459 Y464 V466 V480 R548 C552 Q573 V575	V457-P550 HydrophobicContact CB-CB 4.05Å; V457-P550 HydrophobicContact CG1-CB 3.8Å; A459-P550 HydrophobicContact CB-CB 4.29Å; Y464-P550 HydrophobicContact CD2-CB 4.32Å; Y464-P550 HydrophobicContact CD2-CG 4.15Å; Y464-P550 HydrophobicContact CG-CG 4.08Å; V466-P550 HydrophobicContact CG2-CB 4.39Å; V466-P550 HydrophobicContact CG2-CG 3.85Å; V480-P550 HydrophobicContact CG2-CG 4.15Å; R548-P550 WeakPolarHBondContact O-CD 3.42Å; P550-C552 VanDerWaalsContact C-N 3.29Å; P550-C552 PolarHBondContact O-N 2.91Å; P550-Q573 PolarHBondContact O-NE2 3.5Å; P550-V575 HydrophobicContact CB-CG2 4.29Å; P550-V575 HydrophobicContact CG-CG1 4.03Å; P550-V575 HydrophobicContact CG-CG2 4.14Å
551	Y	95.6	Very high	91	Very high	7 Å²	7	24 Å²	24	3%	0.027	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-10.6	177.5	-64.5	-90	0	0	0	113.6	D455 V457 V466 F468 L531 H532 D549 R561 Y562	D455-Y551 WeakPolarHBondContact CB-OH 3.41Å; D455-Y551 PolarHBondContact OD2-OH 3.44Å; V457-Y551 HydrophobicContact CG1-CD1 4.18Å; V457-Y551 HydrophobicContact CG1-CE1 4.21Å; V457-Y551 HydrophobicContact CG1-CG 4.37Å; V457-Y551 HydrophobicContact CG2-CD1 4.49Å; V457-Y551 HydrophobicContact CG2-CD2 4.35Å; V457-Y551 HydrophobicContact CG2-CE1 3.8Å; V457-Y551 HydrophobicContact CG2-CE2 3.65Å; V457-Y551 WeakPolarHBondContact CG2-OH 3.2Å; V466-Y551 HydrophobicContact CB-CE2 4.08Å; V466-Y551 HydrophobicContact CG1-CE2 4.02Å; V466-Y551 HydrophobicContact CG2-CE2 3.92Å; F468-Y551 HydrophobicContact CZ-CE2 4.3Å; L531-Y551 HydrophobicContact CB-CE1 4.13Å; L531-Y551 HydrophobicContact CD1-CE1 4.3Å; H532-Y551 HydrophobicContact CB-CG 4.21Å; D549-Y551 PolarHBondContact O-N 2.78Å; D549-Y551 WeakPolarHBondContact OD1-CB 3.46Å; D549-Y551 VanDerWaalsContact OD1-CD2 3.27Å; D549-Y551 WeakPolarHBondContact OD1-CD2 3.43Å; D549-Y551 PolarHBondContact OD1-N 2.85Å; Y551-R561 CarbonylContact O-C 3.6Å; Y551-R561 WeakPolarHBondContact O-CA 3.49Å; Y551-Y562 PolarHBondContact O-N 3.15Å
552	C	94.9	Very high	91.1	Very high	3 Å²	3	25.2 Å²	25.2	2%	0.02	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	136.8	-169.2	-60.8	0	0	0	0	112.6	C534 Y537 D549 P550 S560 Q573	C534-C552 WeakPolarHBondContact CA-SG 3.19Å; C534-C552 HydrophobicContact CB-CB 3.65Å; C534-C552 WeakPolarHBondContact CB-SG 3.12Å; C534-C552 WeakPolarHBondContact SG-CA 3.26Å; C534-C552 WeakPolarHBondContact SG-CB 3.37Å; C534-C552 CovalentContact SG-SG 2.04Å; C534-C552 PolarHBondContact SG-SG 3.34Å; Y537-C552 HydrophobicContact CE2-CB 4.45Å; D549-C552 HydrophobicContact CB-CB 4.12Å; D549-C552 PolarHBondContact O-N 2.9Å; D549-C552 VanDerWaalsContact O-O 3.1Å; P550-C552 VanDerWaalsContact C-N 3.29Å; P550-C552 PolarHBondContact O-N 2.91Å; C552-S560 WeakPolarHBondContact CA-O 3.42Å; C552-Q573 PolarHBondContact O-NE2 2.99Å
553	A	93.4	Very high	91	Very high	3 Å²	3	26.5 Å²	26.5	3%	0.025	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	150.4	176.6	0	0	0	0	0	110.2	S560 Y562 Q573	A553-S560 PolarHBondContact N-O 3.15Å; A553-S560 PolarHBondContact O-N 3.01Å; A553-Y562 HydrophobicContact CB-CD2 3.96Å; A553-Q573 HydrophobicContact CB-CB 3.9Å; A553-Q573 HydrophobicContact CB-CG 4.39Å
554	W	91.2	Very high	90.3	Very high	19 Å²	19	30 Å²	30	7%	0.072	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	128.8	171	-178	-100.8	0	0	0	109	K539 A540 C541 C544 N557 A558 C559 R571 R572	K539-W554 WeakPolarHBondContact O-CH2 3.4Å; K539-W554 VanDerWaalsContact O-CZ3 3.27Å; K539-W554 WeakPolarHBondContact O-CZ3 3.34Å; A540-W554 VanDerWaalsContact C-CZ3 3.41Å; C541-W554 VanDerWaalsContact CA-CD2 3.48Å; C541-W554 HydrophobicContact CB-CD2 3.71Å; C541-W554 HydrophobicContact CB-CE3 4.27Å; C541-W554 HydrophobicContact CB-CG 3.82Å; C541-W554 HydrophobicContact CB-CZ2 4.36Å; C544-W554 HydrophobicContact CB-CB 4.29Å; C544-W554 HydrophobicContact CB-CE3 4.21Å; C544-W554 PolarHBondContact SG-N 3Å; C544-W554 VanDerWaalsContact SG-N 3.4Å; W554-N557 WeakPolarHBondContact CH2-O 3.1Å; W554-A558 VanDerWaalsContact CZ3-C 3.42Å; W554-A558 VanDerWaalsContact CZ3-CA 3.48Å; W554-C559 HydrophobicContact CE3-CB 4.49Å; W554-R571 VanDerWaalsContact O-CA 3.22Å; W554-R571 WeakPolarHBondContact O-CA 3.42Å; W554-R572 HydrophobicContact CB-CB 4.26Å; W554-R572 PolarHBondContact N-O 3.47Å; W554-R572 PolarHBondContact O-N 2.98Å
555	D	87	Confident	89.3	Confident	53 Å²	53	33 Å²	33	28%	0.283	20%	0.195	S	C	.	.			trans	-100.1	4.1	-178.3	65.8	15.2	0	0	0	115.1	N557 A558 S560 A570	D555-N557 PolarHBondContact OD1-N 3.27Å; D555-A558 PolarHBondContact N-O 3.03Å; D555-A558 VanDerWaalsContact N-O 3.09Å; D555-A558 PolarHBondContact OD1-N 2.85Å; D555-A558 VanDerWaalsContact OD1-O 3.1Å; D555-S560 WeakPolarHBondContact CB-OG 3.33Å; D555-S560 VanDerWaalsContact CG-OG 3.31Å; D555-S560 WeakPolarHBondContact OD2-CB 3.48Å; D555-S560 PolarHBondContact OD2-OG 2.85Å; D555-A570 CarbonylContact C-O 3.54Å; D555-A570 VanDerWaalsContact C-O 3.3Å
556	G	84.7	Confident	87.8	Confident	46 Å²	46	38.6 Å²	38.6	47%	0.474	23%	0.234	S	C	.	.	S	Bend	trans	107	-23.1	-173.1	0	0	0	0	0	112.9	A570	G556-A570 PolarHBondContact N-O 3.39Å
557	N	84.2	Confident	86.3	Confident	140 Å²	140	47 Å²	47	75%	0.749	27%	0.27	S	S	*	.	S	Bend	trans	-129	-36.8	-176.9	-176.2	64	0	0	0	113.6	W554 D555	W554-N557 WeakPolarHBondContact CH2-O 3.1Å; D555-N557 PolarHBondContact OD1-N 3.27Å
558	A	89.5	Confident	84.7	Confident	28 Å²	28	56.4 Å²	56.4	23%	0.231	31%	0.306	C	S	.	.	S	Bend	trans	-144.4	163.7	179.7	0	0	0	0	0	111.6	W554 D555 S560	W554-A558 VanDerWaalsContact CZ3-C 3.42Å; W554-A558 VanDerWaalsContact CZ3-CA 3.48Å; D555-A558 PolarHBondContact N-O 3.03Å; D555-A558 VanDerWaalsContact N-O 3.09Å; D555-A558 PolarHBondContact OD1-N 2.85Å; D555-A558 VanDerWaalsContact OD1-O 3.1Å; A558-S560 PolarHBondContact O-N 3.24Å
559	C	91.7	Very high	83.1	Confident	1 Å²	1	68 Å²	68	1%	0.007	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	103.9	167.9	-166.9	0	0	0	0	108.7	C534 D535 C544 W554	C534-C559 CarbonylContact C-O 3.59Å; C534-C559 VanDerWaalsContact C-O 3.28Å; C534-C559 WeakPolarHBondContact CB-O 3.38Å; C534-C559 WeakPolarHBondContact O-CB 3.04Å; C534-C559 PolarHBondContact O-SG 3.31Å; D535-C559 PolarHBondContact N-O 2.95Å; C544-C559 VanDerWaalsContact CA-SG 3.53Å; C544-C559 HydrophobicContact CB-CB 3.53Å; C544-C559 WeakPolarHBondContact CB-SG 3.35Å; C544-C559 WeakPolarHBondContact SG-CA 3.26Å; C544-C559 WeakPolarHBondContact SG-CB 3.31Å; C544-C559 CovalentContact SG-SG 2.04Å; C544-C559 PolarHBondContact SG-SG 2.93Å; W554-C559 HydrophobicContact CE3-CB 4.49Å
560	S	92.6	Very high	81.5	Confident	25 Å²	25	70.2 Å²	70.2	18%	0.175	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	173.9	-172.9	69.6	0	0	0	0	111.8	C552 A553 D555 A558 Y562	C552-S560 WeakPolarHBondContact CA-O 3.42Å; A553-S560 PolarHBondContact N-O 3.15Å; A553-S560 PolarHBondContact O-N 3.01Å; D555-S560 WeakPolarHBondContact CB-OG 3.33Å; D555-S560 VanDerWaalsContact CG-OG 3.31Å; D555-S560 WeakPolarHBondContact OD2-CB 3.48Å; D555-S560 PolarHBondContact OD2-OG 2.85Å; A558-S560 PolarHBondContact O-N 3.24Å; S560-Y562 PolarHBondContact O-N 3.09Å
561	R	92.3	Very high	80.6	Confident	99 Å²	99	73 Å²	73	37%	0.374	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	130.6	-178.7	-173.2	-165.5	164.6	102.9	-0.2	110.6	Q516 H532 Y551 A563	Q516-R561 VanDerWaalsContact OE1-CZ 3.23Å; H532-R561 PolarHBondContact CD2-NH1 2.86Å; H532-R561 PolarHBondContact NE2-NH1 3.26Å; Y551-R561 CarbonylContact O-C 3.6Å; Y551-R561 WeakPolarHBondContact O-CA 3.49Å; R561-A563 PolarHBondContact O-N 2.97Å
562	Y	90.6	Very high	80.2	Confident	39 Å²	39	74.6 Å²	74.6	15%	0.153	39%	0.385	C	S	.	.			trans	-59.4	132.8	171	179.5	-100.4	0	0	0	110.7	T458 A459 E460 Y551 A553 S560	T458-Y562 WeakPolarHBondContact O-CD1 3.38Å; T458-Y562 WeakPolarHBondContact O-CE1 3.48Å; A459-Y562 PolarHBondContact O-OH 2.96Å; E460-Y562 HydrophobicContact CB-CE2 4.05Å; Y551-Y562 PolarHBondContact O-N 3.15Å; A553-Y562 HydrophobicContact CB-CD2 3.96Å; S560-Y562 PolarHBondContact O-N 3.09Å
563	A	84	Confident	80	Confident	37 Å²	37	75 Å²	75	31%	0.306	39%	0.386	S	S	.	.			trans	-141	139.6	167.1	0	0	0	0	0	109.8	R561 T565 R571	R561-A563 PolarHBondContact O-N 2.97Å; A563-T565 PolarHBondContact O-N 3.4Å; A563-R571 VanDerWaalsContact C-NH1 3.32Å; A563-R571 VanDerWaalsContact CA-NH1 3.3Å; A563-R571 VanDerWaalsContact CB-NH1 3.26Å; A563-R571 PolarHBondContact O-NH1 3.12Å
564	P	75.1	Confident	79.9	Confident	107 Å²	107	75.4 Å²	75.4	70%	0.695	39%	0.388	S	S	*	.			trans	-69.7	114.9	176.1	25.1	-30	0	0	0	109.3
565	T	68.5	Low	80	Confident	68 Å²	68	74.5 Å²	74.5	42%	0.417	39%	0.385	S	S	.	.			trans	-128.4	155.2	177.5	72.7	0	0	0	0	111.8	A563	A563-T565 PolarHBondContact O-N 3.4Å
566	S	59.7	Low	80.1	Confident	120 Å²	120	74.1 Å²	74.1	84%	0.839	38%	0.38	S	S	*	.	S	Bend	trans	-75.6	-20.3	179.2	55.9	0	0	0	0	113.9	R568	S566-R568 PolarHBondContact O-N 2.58Å
567	K	59.9	Low	80.3	Confident	179 Å²	179	76.8 Å²	76.8	78%	0.778	38%	0.377	S	S	*	.			trans	-93	72	178.6	-66.5	-171.9	-179.5	-178.6	0	110.9	R569	K567-R569 PolarHBondContact O-N 3.26Å; K567-R569 VanDerWaalsContact O-N 3.14Å
568	R	59.3	Low	80.5	Confident	199 Å²	199	70.3 Å²	70.3	75%	0.751	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-58.2	-22.8	-175.6	-67	-175.5	179.7	-172	-2.4	115.8	S566 A570 R571	S566-R568 PolarHBondContact O-N 2.58Å; R568-A570 VanDerWaalsContact C-N 3.26Å; R568-A570 PolarHBondContact O-N 3.19Å; R568-A570 VanDerWaalsContact O-N 3.07Å; R568-R571 PolarHBondContact O-N 3.11Å
569	R	59.4	Low	80.5	Confident	252 Å²	252	71 Å²	71	95%	0.951	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-69.4	-9.5	-164.7	-72.7	-173.3	-173.9	-173	1.5	116.7	K567	K567-R569 PolarHBondContact O-N 3.26Å; K567-R569 VanDerWaalsContact O-N 3.14Å
570	A	62.4	Low	80.3	Confident	49 Å²	49	71.1 Å²	71.1	41%	0.405	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-115	-9.3	-179.4	0	0	0	0	0	114.3	D555 G556 R568	D555-A570 CarbonylContact C-O 3.54Å; D555-A570 VanDerWaalsContact C-O 3.3Å; G556-A570 PolarHBondContact N-O 3.39Å; R568-A570 VanDerWaalsContact C-N 3.26Å; R568-A570 PolarHBondContact O-N 3.19Å; R568-A570 VanDerWaalsContact O-N 3.07Å
571	R	77.5	Confident	79.9	Confident	58 Å²	58	74.9 Å²	74.9	22%	0.219	36%	0.361	C	S	.	.			trans	-96.6	135.2	179.6	-71.6	-165.9	171.7	-179	-10	111.1	W554 A563 R568	W554-R571 VanDerWaalsContact O-CA 3.22Å; W554-R571 WeakPolarHBondContact O-CA 3.42Å; A563-R571 VanDerWaalsContact C-NH1 3.32Å; A563-R571 VanDerWaalsContact CA-NH1 3.3Å; A563-R571 VanDerWaalsContact CB-NH1 3.26Å; A563-R571 PolarHBondContact O-NH1 3.12Å; R568-R571 PolarHBondContact O-N 3.11Å
572	R	87	Confident	79.5	Confident	42 Å²	42	74 Å²	74	16%	0.158	37%	0.366	C	S	.	.	B	Isolated β-bridge	trans	-134.3	118.7	-178	-59.6	157.1	178.4	160.7	-0.9	108.6	C541 W554 Q583 D586	C541-R572 VanDerWaalsContact SG-CD 3.52Å; W554-R572 HydrophobicContact CB-CB 4.26Å; W554-R572 PolarHBondContact N-O 3.47Å; W554-R572 PolarHBondContact O-N 2.98Å; R572-Q583 HydrophobicContact CB-CB 4.46Å; R572-Q583 WeakPolarHBondContact CD-O 3.28Å; R572-Q583 WeakPolarHBondContact CG-O 3.23Å; R572-Q583 PolarHBondContact NE-O 3.35Å; R572-D586 IonicContact CZ-OD2 3.96Å; R572-D586 IonicContact NH1-OD2 2.7Å; R572-D586 PolarHBondContact NH1-OD2 3.33Å; R572-D586 IonicContact NH2-OD2 2.72Å; R572-D586 PolarHBondContact NH2-OD2 3.1Å
573	Q	90.9	Very high	79.2	Confident	10 Å²	10	74.7 Å²	74.7	5%	0.047	37%	0.371	C	S	.	.			trans	-146.5	136.9	175.8	-174.1	-175.3	45	0	0	109.5	E460 D549 P550 C552 A553 V575	E460-Q573 HydrophobicContact CB-CB 4.08Å; E460-Q573 PolarHBondContact OE2-N 3.42Å; E460-Q573 VanDerWaalsContact OE2-N 3.12Å; D549-Q573 PolarHBondContact O-NE2 3.23Å; P550-Q573 PolarHBondContact O-NE2 3.5Å; C552-Q573 PolarHBondContact O-NE2 2.99Å; A553-Q573 HydrophobicContact CB-CB 3.9Å; A553-Q573 HydrophobicContact CB-CG 4.39Å; Q573-V575 HydrophobicContact CG-CG2 4.09Å
574	D	90.4	Very high	79.2	Confident	12 Å²	12	73.1 Å²	73.1	6%	0.064	36%	0.358	C	S	.	.			trans	-141.9	92.7	172.2	175.8	11.8	0	0	0	108.9	K576 Y577 G578 D579 Q583	D574-K576 PolarHBondContact OD1-N 3.02Å; D574-Y577 PolarHBondContact OD1-N 3.08Å; D574-Y577 WeakPolarHBondContact OD2-CB 3.41Å; D574-G578 VanDerWaalsContact CG-N 3.32Å; D574-G578 WeakPolarHBondContact O-CA 3.16Å; D574-G578 PolarHBondContact O-N 3.24Å; D574-G578 VanDerWaalsContact O-N 3.1Å; D574-G578 PolarHBondContact OD1-N 3.29Å; D574-G578 PolarHBondContact OD2-N 3.38Å; D574-G578 VanDerWaalsContact OD2-N 3.16Å; D574-D579 WeakPolarHBondContact OD2-CB 3.43Å; D574-D579 PolarHBondContact OD2-N 3.03Å; D574-Q583 HydrophobicContact CB-CG 3.88Å
575	V	92.6	Very high	78.9	Confident	0 Å²	0	78 Å²	78	0%	0	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-42.7	178.3	174.9	0	0	0	0	109.7	A459 D461 Y464 I482 R548 P550 Q573 Y577	A459-V575 HydrophobicContact CB-CG2 4.07Å; D461-V575 PolarHBondContact OD2-N 2.75Å; Y464-V575 HydrophobicContact CD1-CG1 3.89Å; Y464-V575 HydrophobicContact CD2-CB 4.24Å; Y464-V575 HydrophobicContact CD2-CG1 3.91Å; Y464-V575 HydrophobicContact CD2-CG2 4.4Å; Y464-V575 HydrophobicContact CE1-CB 4.29Å; Y464-V575 HydrophobicContact CE1-CG1 3.6Å; Y464-V575 HydrophobicContact CE2-CB 3.6Å; Y464-V575 HydrophobicContact CE2-CG1 3.62Å; Y464-V575 HydrophobicContact CE2-CG2 4.05Å; Y464-V575 HydrophobicContact CG-CG1 4.02Å; Y464-V575 VanDerWaalsContact CZ-CG1 3.45Å; I482-V575 HydrophobicContact CD1-CG1 3.99Å; I482-V575 WeakPolarHBondContact CD1-O 3.4Å; I482-V575 HydrophobicContact CG1-CG1 4.37Å; R548-V575 PolarHBondContact NE-O 3.41Å; P550-V575 HydrophobicContact CB-CG2 4.29Å; P550-V575 HydrophobicContact CG-CG1 4.03Å; P550-V575 HydrophobicContact CG-CG2 4.14Å; Q573-V575 HydrophobicContact CG-CG2 4.09Å; V575-Y577 PolarHBondContact O-N 3.34Å
576	K	90.1	Very high	78.6	Confident	45 Å²	45	78.9 Å²	78.9	20%	0.196	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-46.1	-171.5	-167.9	173.6	-177.9	-171	0	112.9	D461 Y464 I482 S483 E485 R548 D574	D461-K576 VanDerWaalsContact OD2-CB 3.31Å; D461-K576 WeakPolarHBondContact OD2-CB 3.3Å; D461-K576 PolarHBondContact OD2-N 3.36Å; Y464-K576 WeakPolarHBondContact OH-CB 3.4Å; Y464-K576 PolarHBondContact OH-N 3.46Å; I482-K576 HydrophobicContact CG2-CG 4.1Å; S483-K576 WeakPolarHBondContact O-CE 3.49Å; E485-K576 IonicContact OE1-NZ 3.91Å; R548-K576 PolarHBondContact NH2-O 3.44Å; D574-K576 PolarHBondContact OD1-N 3.02Å
577	Y	88.8	Confident	78.4	Confident	103 Å²	103	74.5 Å²	74.5	40%	0.404	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-24.8	-175.1	-55.7	-66.8	0	0	0	113.5	E485 D574 V575 D579	E485-Y577 PolarHBondContact OE1-OH 2.88Å; D574-Y577 PolarHBondContact OD1-N 3.08Å; D574-Y577 WeakPolarHBondContact OD2-CB 3.41Å; V575-Y577 PolarHBondContact O-N 3.34Å; Y577-D579 VanDerWaalsContact C-N 3.35Å
578	G	89.2	Confident	77.8	Confident	4 Å²	4	74 Å²	74	4%	0.041	33%	0.332	C	S	.	.			trans	60.8	42.7	-176.6	0	0	0	0	0	112.3	D574 P580	D574-G578 VanDerWaalsContact CG-N 3.32Å; D574-G578 WeakPolarHBondContact O-CA 3.16Å; D574-G578 PolarHBondContact O-N 3.24Å; D574-G578 VanDerWaalsContact O-N 3.1Å; D574-G578 PolarHBondContact OD1-N 3.29Å; D574-G578 PolarHBondContact OD2-N 3.38Å; D574-G578 VanDerWaalsContact OD2-N 3.16Å; G578-P580 WeakPolarHBondContact O-CD 3.47Å
579	D	88.5	Confident	76.9	Confident	43 Å²	43	70.4 Å²	70.4	23%	0.23	33%	0.328	C	S	.	.			trans	-92.1	100.5	-176.6	180	15.6	0	0	0	112.2	C545 D574 Y577 I581 T582 Q583	C545-D579 VanDerWaalsContact SG-C 3.53Å; C545-D579 PolarHBondContact SG-O 2.78Å; C545-D579 VanDerWaalsContact SG-O 3.4Å; D574-D579 WeakPolarHBondContact OD2-CB 3.43Å; D574-D579 PolarHBondContact OD2-N 3.03Å; Y577-D579 VanDerWaalsContact C-N 3.35Å; D579-I581 VanDerWaalsContact C-N 3.3Å; D579-I581 PolarHBondContact O-N 3.09Å; D579-I581 WeakPolarHBondContact OD1-CB 3.34Å; D579-I581 PolarHBondContact OD1-N 2.91Å; D579-T582 VanDerWaalsContact CG-OG1 3.28Å; D579-T582 WeakPolarHBondContact OD2-CB 3.48Å; D579-T582 WeakPolarHBondContact OD2-CG2 3.45Å; D579-T582 PolarHBondContact OD2-OG1 3.35Å; D579-Q583 WeakPolarHBondContact O-CB 2.91Å; D579-Q583 WeakPolarHBondContact O-CG 3.34Å; D579-Q583 PolarHBondContact O-N 3.05Å
580	P	87.4	Confident	76.2	Confident	3 Å²	3	61.3 Å²	61.3	2%	0.019	30%	0.302	C	S	.	.	H	α-helix	trans	-70.3	-23.3	177	29.1	-36.3	0	0	0	113.2	A542 C545 L546 G578 C584 I587 F672	A542-P580 HydrophobicContact CB-CB 3.72Å; C545-P580 HydrophobicContact CB-CB 4.29Å; L546-P580 HydrophobicContact CD1-CG 4.35Å; L546-P580 HydrophobicContact CD2-CG 4.08Å; L546-P580 HydrophobicContact CG-CG 4.02Å; G578-P580 WeakPolarHBondContact O-CD 3.47Å; P580-C584 WeakPolarHBondContact O-CA 3.36Å; P580-C584 VanDerWaalsContact O-CB 3.22Å; P580-C584 WeakPolarHBondContact O-CB 3.14Å; P580-C584 PolarHBondContact O-N 3.27Å; P580-I587 HydrophobicContact CB-CD1 4.48Å; P580-I587 WeakPolarHBondContact O-CD1 3.49Å; P580-F672 HydrophobicContact CB-CD2 4.31Å; P580-F672 HydrophobicContact CB-CE2 4.3Å; P580-F672 HydrophobicContact CG-CB 3.84Å; P580-F672 HydrophobicContact CG-CD1 3.98Å; P580-F672 HydrophobicContact CG-CD2 3.44Å; P580-F672 VanDerWaalsContact CG-CD2 3.44Å; P580-F672 HydrophobicContact CG-CE1 4.34Å; P580-F672 HydrophobicContact CG-CE2 3.9Å; P580-F672 HydrophobicContact CG-CG 3.47Å; P580-F672 VanDerWaalsContact CG-CG 3.47Å; P580-F672 HydrophobicContact CG-CZ 4.32Å
581	I	84.4	Confident	75.4	Confident	103 Å²	103	64.1 Å²	64.1	53%	0.528	31%	0.31	S	S	.	.	H	α-helix	trans	-68.7	-45.1	-172.5	-60.1	174.3	0	0	0	110.6	D579 F672	D579-I581 VanDerWaalsContact C-N 3.3Å; D579-I581 PolarHBondContact O-N 3.09Å; D579-I581 WeakPolarHBondContact OD1-CB 3.34Å; D579-I581 PolarHBondContact OD1-N 2.91Å; I581-F672 HydrophobicContact CG1-CD2 4.08Å
582	T	84.3	Confident	73.5	Confident	80 Å²	80	65.1 Å²	65.1	49%	0.491	33%	0.325	S	S	.	.	H	α-helix	trans	-79.8	-28.6	178.9	54.5	0	0	0	0	112.7	D579 W585	D579-T582 VanDerWaalsContact CG-OG1 3.28Å; D579-T582 WeakPolarHBondContact OD2-CB 3.48Å; D579-T582 WeakPolarHBondContact OD2-CG2 3.45Å; D579-T582 PolarHBondContact OD2-OG1 3.35Å; T582-W585 PolarHBondContact O-NE1 2.9Å
583	Q	84.2	Confident	71.3	Confident	55 Å²	55	70.4 Å²	70.4	26%	0.257	35%	0.352	S	S	.	.	H	α-helix	trans	-85.6	-37	-175.7	-63.7	-60.3	-29.6	0	0	113	R572 D574 D579	R572-Q583 HydrophobicContact CB-CB 4.46Å; R572-Q583 WeakPolarHBondContact CD-O 3.28Å; R572-Q583 WeakPolarHBondContact CG-O 3.23Å; R572-Q583 PolarHBondContact NE-O 3.35Å; D574-Q583 HydrophobicContact CB-CG 3.88Å; D579-Q583 WeakPolarHBondContact O-CB 2.91Å; D579-Q583 WeakPolarHBondContact O-CG 3.34Å; D579-Q583 PolarHBondContact O-N 3.05Å
584	C	83.9	Confident	69.4	Low	3 Å²	3	72.1 Å²	72.1	2%	0.02	36%	0.36	C	S	.	.			trans	-106.8	97.4	-173.2	-58.6	0	0	0	0	111.1	C541 P580 D586 I587	C541-C584 HydrophobicContact CB-CB 3.77Å; C541-C584 WeakPolarHBondContact CB-SG 3.11Å; C541-C584 PolarHBondContact O-SG 2.93Å; C541-C584 WeakPolarHBondContact SG-CB 3.49Å; C541-C584 CovalentContact SG-SG 2.04Å; C541-C584 PolarHBondContact SG-SG 2.91Å; P580-C584 WeakPolarHBondContact O-CA 3.36Å; P580-C584 VanDerWaalsContact O-CB 3.22Å; P580-C584 WeakPolarHBondContact O-CB 3.14Å; P580-C584 PolarHBondContact O-N 3.27Å; C584-D586 PolarHBondContact O-N 3.14Å; C584-I587 HydrophobicContact CB-CD1 3.76Å; C584-I587 HydrophobicContact CB-CG1 3.94Å; C584-I587 VanDerWaalsContact O-CD1 3.26Å; C584-I587 WeakPolarHBondContact O-CD1 3.45Å; C584-I587 WeakPolarHBondContact O-CG1 3.37Å
585	W	67.6	Low	67.5	Low	210 Å²	210	78.2 Å²	78.2	80%	0.795	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-14.7	-173.3	-60.6	19.3	0	0	0	112.6	T582 I587	T582-W585 PolarHBondContact O-NE1 2.9Å; W585-I587 PolarHBondContact O-N 3.29Å
586	D	62.1	Low	65.9	Low	87 Å²	87	79.1 Å²	79.1	47%	0.465	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	7.7	179.4	-50.4	-52.8	0	0	0	112.8	R572 C584 S590	R572-D586 IonicContact CZ-OD2 3.96Å; R572-D586 IonicContact NH1-OD2 2.7Å; R572-D586 PolarHBondContact NH1-OD2 3.33Å; R572-D586 IonicContact NH2-OD2 2.72Å; R572-D586 PolarHBondContact NH2-OD2 3.1Å; C584-D586 PolarHBondContact O-N 3.14Å; D586-S590 VanDerWaalsContact O-CB 3.3Å; D586-S590 WeakPolarHBondContact O-CB 3.49Å; D586-S590 PolarHBondContact O-N 3.44Å; D586-S590 PolarHBondContact O-OG 3Å
587	I	55.6	Low	64.8	Low	28 Å²	28	82.4 Å²	82.4	14%	0.144	43%	0.425	C	S	.	.	H	α-helix	trans	-67.7	-35.8	-177.7	-72.3	170.7	0	0	0	111.6	P580 C584 W585 S590 I591 F672	P580-I587 HydrophobicContact CB-CD1 4.48Å; P580-I587 WeakPolarHBondContact O-CD1 3.49Å; C584-I587 HydrophobicContact CB-CD1 3.76Å; C584-I587 HydrophobicContact CB-CG1 3.94Å; C584-I587 VanDerWaalsContact O-CD1 3.26Å; C584-I587 WeakPolarHBondContact O-CD1 3.45Å; C584-I587 WeakPolarHBondContact O-CG1 3.37Å; W585-I587 PolarHBondContact O-N 3.29Å; I587-S590 WeakPolarHBondContact CA-OG 3.46Å; I587-S590 PolarHBondContact O-N 3.06Å; I587-S590 PolarHBondContact O-OG 2.79Å; I587-I591 HydrophobicContact CG2-CD1 3.34Å; I587-I591 HydrophobicContact CG2-CG1 3.97Å; I587-I591 VanDerWaalsContact O-CB 3.32Å; I587-I591 WeakPolarHBondContact O-CB 3.49Å; I587-I591 WeakPolarHBondContact O-CD1 3.14Å; I587-I591 WeakPolarHBondContact O-CG1 3.4Å; I587-I591 PolarHBondContact O-N 2.87Å; I587-F672 HydrophobicContact CD1-CE2 4.05Å
588	E	47.4	Very low	64.5	Low	169 Å²	169	83.4 Å²	83.4	79%	0.79	43%	0.433	S	S	*	.	H	α-helix	trans	-69.4	-37.9	179.9	-71	-174.4	162.5	0	0	112.6
589	D	42.1	Very low	64.5	Low	123 Å²	123	88.4 Å²	88.4	66%	0.658	45%	0.454	S	S	*	.	H	α-helix	trans	-77.1	-32.3	175.6	-83.7	-19.6	0	0	0	112.5	S592 H593	D589-S592 PolarHBondContact O-N 2.89Å; D589-S592 PolarHBondContact O-OG 2.92Å; D589-H593 PolarHBondContact O-N 2.94Å
590	S	43.7	Very low	64.6	Low	60 Å²	60	90.3 Å²	90.3	42%	0.42	47%	0.466	S	S	.	.	H	α-helix	trans	-83.9	-19.6	178.9	57	0	0	0	0	115	D586 I587 S592 H593 E594	D586-S590 VanDerWaalsContact O-CB 3.3Å; D586-S590 WeakPolarHBondContact O-CB 3.49Å; D586-S590 PolarHBondContact O-N 3.44Å; D586-S590 PolarHBondContact O-OG 3Å; I587-S590 WeakPolarHBondContact CA-OG 3.46Å; I587-S590 PolarHBondContact O-N 3.06Å; I587-S590 PolarHBondContact O-OG 2.79Å; S590-S592 VanDerWaalsContact C-N 3.27Å; S590-H593 CarbonylContact O-C 3.51Å; S590-E594 WeakPolarHBondContact O-CA 3.28Å; S590-E594 WeakPolarHBondContact O-CG 3.17Å; S590-E594 PolarHBondContact O-N 2.93Å
591	I	45.6	Very low	64.9	Low	109 Å²	109	92 Å²	92	56%	0.559	48%	0.475	S	S	*	.	H	α-helix	trans	-69.7	-29.1	165.1	-71.1	167	0	0	0	110.6	I587	I587-I591 HydrophobicContact CG2-CD1 3.34Å; I587-I591 HydrophobicContact CG2-CG1 3.97Å; I587-I591 VanDerWaalsContact O-CB 3.32Å; I587-I591 WeakPolarHBondContact O-CB 3.49Å; I587-I591 WeakPolarHBondContact O-CD1 3.14Å; I587-I591 WeakPolarHBondContact O-CG1 3.4Å; I587-I591 PolarHBondContact O-N 2.87Å
592	S	38.8	Very low	65.2	Low	78 Å²	78	93.5 Å²	93.5	55%	0.545	48%	0.478	S	S	.	.	H	α-helix	trans	-85.2	-34.3	177.6	79.6	0	0	0	0	113.2	D589 S590	D589-S592 PolarHBondContact O-N 2.89Å; D589-S592 PolarHBondContact O-OG 2.92Å; S590-S592 VanDerWaalsContact C-N 3.27Å
593	H	40.8	Very low	65.6	Low	153 Å²	153	89.8 Å²	89.8	71%	0.708	46%	0.456	S	S	*	.	S	Bend	trans	-113.1	62.5	173.5	-74.4	-80.2	0	0	0	111	D589 S590 T595	D589-H593 PolarHBondContact O-N 2.94Å; S590-H593 CarbonylContact O-C 3.51Å; H593-T595 PolarHBondContact O-N 2.92Å
594	E	49.9	Very low	65.8	Low	46 Å²	46	89.7 Å²	89.7	22%	0.215	46%	0.456	C	S	.	.			trans	-64.6	105.6	175.8	-75.6	177.4	147	0	0	110.1	S590 A596 T675 K678	S590-E594 WeakPolarHBondContact O-CA 3.28Å; S590-E594 WeakPolarHBondContact O-CG 3.17Å; S590-E594 PolarHBondContact O-N 2.93Å; E594-A596 HydrophobicContact CB-CB 4.33Å; E594-A596 PolarHBondContact O-N 2.83Å; E594-T675 WeakPolarHBondContact OE1-CB 3.2Å; E594-T675 PolarHBondContact OE1-OG1 2.84Å; E594-K678 WeakPolarHBondContact OE2-CE 3.47Å; E594-K678 IonicContact OE2-NZ 2.99Å; E594-K678 PolarHBondContact OE2-NZ 2.93Å
595	T	51.6	Low	66.2	Low	141 Å²	141	91.5 Å²	91.5	87%	0.865	47%	0.465	S	S	*	.			trans	-69.8	36.9	161.2	58.2	0	0	0	0	111.5	H593 D597	H593-T595 PolarHBondContact O-N 2.92Å; T595-D597 PolarHBondContact O-N 2.75Å
596	A	58.9	Low	67.2	Low	18 Å²	18	87.4 Å²	87.4	15%	0.149	45%	0.453	C	S	.	.			trans	-71.8	125.9	169.8	0	0	0	0	0	106.7	E594 E598 T675 K678	E594-A596 HydrophobicContact CB-CB 4.33Å; E594-A596 PolarHBondContact O-N 2.83Å; A596-E598 PolarHBondContact O-N 3.01Å; A596-T675 HydrophobicContact CB-CG2 4.33Å; A596-K678 HydrophobicContact CB-CD 4.35Å; A596-K678 HydrophobicContact CB-CG 4.1Å
597	D	65.7	Low	68.6	Low	115 Å²	115	87.6 Å²	87.6	62%	0.615	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-51.3	113	178.9	-73.6	-27.4	0	0	0	109.1	T595 V677 K678	T595-D597 PolarHBondContact O-N 2.75Å; D597-V677 VanDerWaalsContact O-CG2 3.3Å; D597-V677 WeakPolarHBondContact O-CG2 3.49Å; D597-K678 PolarHBondContact O-N 3.01Å; D597-K678 VanDerWaalsContact O-O 3.13Å
598	E	82.9	Confident	70.4	Confident	124 Å²	124	90 Å²	90	58%	0.579	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	116.6	172.7	-169.9	177.2	177.7	0	0	108	A596 K678 T680	A596-E598 PolarHBondContact O-N 3.01Å; E598-K678 WeakPolarHBondContact CA-O 3.17Å; E598-T680 PolarHBondContact OE1-OG1 2.85Å
599	K	89.1	Confident	72.6	Confident	109 Å²	109	82.9 Å²	82.9	47%	0.474	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	133	176.5	-56	178.5	-179.5	174.8	0	109.5	V677 K678 L679 T680	K599-V677 HydrophobicContact CD-CG2 4.49Å; K599-K678 PolarHBondContact N-O 2.94Å; K599-L679 HydrophobicContact CB-CD2 3.71Å; K599-L679 HydrophobicContact CD-CD2 4.12Å; K599-L679 HydrophobicContact CG-CD2 4.25Å; K599-L679 CarbonylContact O-C 3.57Å; K599-L679 WeakPolarHBondContact O-CA 3.48Å; K599-T680 PolarHBondContact O-N 2.93Å
600	V	91.4	Very high	75.1	Confident	82 Å²	82	81.2 Å²	81.2	50%	0.497	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	127.5	172.5	-175.2	0	0	0	0	108.6	F602 T680	V600-F602 HydrophobicContact CG1-CD2 4.42Å; V600-F602 HydrophobicContact CG1-CE2 3.74Å; V600-F602 HydrophobicContact CG1-CZ 3.87Å; V600-T680 CarbonylContact C-O 3.38Å; V600-T680 WeakPolarHBondContact CA-O 3.36Å
601	I	92.8	Very high	77.4	Confident	40 Å²	40	78.4 Å²	78.4	21%	0.205	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	135.4	178.8	-62.1	174.9	0	0	0	108	T609 L611 L679 T680 L681 N682	I601-T609 HydrophobicContact CG2-CG2 4.16Å; I601-L611 HydrophobicContact CD1-CD2 3.66Å; I601-L611 HydrophobicContact CG2-CD2 4.3Å; I601-L679 HydrophobicContact CD1-CB 4.32Å; I601-L679 HydrophobicContact CD1-CD1 4.15Å; I601-L679 HydrophobicContact CD1-CD2 3.97Å; I601-L679 HydrophobicContact CD1-CG 4.38Å; I601-T680 PolarHBondContact N-O 2.9Å; I601-L681 HydrophobicContact CB-CD1 4.3Å; I601-L681 HydrophobicContact CG2-CD1 4Å; I601-L681 WeakPolarHBondContact O-CA 3.14Å; I601-N682 PolarHBondContact O-N 3.26Å
602	F	91.6	Very high	79.7	Confident	134 Å²	134	78.8 Å²	78.8	59%	0.588	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.6	126	174.5	-65.4	-88.5	0	0	0	109.5	V600 N682 I684	V600-F602 HydrophobicContact CG1-CD2 4.42Å; V600-F602 HydrophobicContact CG1-CE2 3.74Å; V600-F602 HydrophobicContact CG1-CZ 3.87Å; F602-N682 WeakPolarHBondContact CA-O 3.31Å; F602-N682 HydrophobicContact CD1-CB 3.7Å; F602-N682 HydrophobicContact CE1-CB 3.8Å; F602-I684 HydrophobicContact CB-CD1 4.2Å; F602-I684 HydrophobicContact CD1-CD1 4.12Å; F602-I684 HydrophobicContact CD1-CG1 4.4Å
603	G	91.1	Very high	82.1	Confident	2 Å²	2	75.3 Å²	75.3	2%	0.021	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	146.4	174	0	0	0	0	0	110.3	N682 V683 I684	G603-N682 PolarHBondContact N-O 3.01Å; G603-V683 CarbonylContact O-C 3.5Å; G603-V683 WeakPolarHBondContact O-CA 3.42Å; G603-I684 PolarHBondContact O-N 2.95Å
604	I	90.3	Very high	84.4	Confident	53 Å²	53	71.9 Å²	71.9	27%	0.272	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	137.7	173.1	-58.6	170.8	0	0	0	108	N607 L655	I604-N607 HydrophobicContact CB-CB 4.4Å; I604-N607 WeakPolarHBondContact O-CB 3.45Å; I604-N607 PolarHBondContact O-N 2.87Å; I604-L655 WeakPolarHBondContact O-CB 3.18Å
605	E	90.6	Very high	86.1	Confident	41 Å²	41	70.5 Å²	70.5	19%	0.192	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	142.2	175.9	-163.3	174.3	-151.8	0	0	112	N607 V683 I684	E605-N607 PolarHBondContact O-N 3.21Å; E605-V683 HydrophobicContact CB-CG1 4.34Å; E605-I684 PolarHBondContact N-O 2.88Å
606	F	89.2	Confident	87.6	Confident	124 Å²	124	69.6 Å²	69.6	54%	0.544	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.5	-14.4	-174.9	-47.4	-63.2	0	0	0	117.1	L655 N686	F606-L655 PolarHBondContact N-O 2.83Å; F606-N686 HydrophobicContact CD2-CB 4.43Å
607	N	91.8	Very high	89	Confident	90 Å²	90	69.1 Å²	69.1	48%	0.481	34%	0.344	S	S	.	.	S	Bend	trans	-78.6	164.3	171.8	-76.8	-13.3	0	0	0	111.9	I604 E605 L655	I604-N607 HydrophobicContact CB-CB 4.4Å; I604-N607 WeakPolarHBondContact O-CB 3.45Å; I604-N607 PolarHBondContact O-N 2.87Å; E605-N607 PolarHBondContact O-N 3.21Å; N607-L655 PolarHBondContact O-N 3.12Å
608	S	92.5	Very high	90.1	Very high	78 Å²	78	68.2 Å²	68.2	55%	0.545	34%	0.336	S	S	.	.			trans	-82.9	148.3	170	58.3	0	0	0	0	111.2	I652 R653	S608-I652 CarbonylContact C-O 3.59Å; S608-I652 WeakPolarHBondContact CA-O 3.03Å; S608-R653 WeakPolarHBondContact CA-O 3.37Å; S608-R653 WeakPolarHBondContact CB-O 3.39Å
609	T	93.9	Very high	90.3	Very high	21 Å²	21	65.1 Å²	65.1	13%	0.129	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	140.9	173.4	-74.9	0	0	0	0	110.2	I601 L611 I652 L655 L681	I601-T609 HydrophobicContact CG2-CG2 4.16Å; T609-L611 HydrophobicContact CG2-CD2 4.04Å; T609-I652 PolarHBondContact N-O 3.33Å; T609-I652 PolarHBondContact O-N 2.74Å; T609-L655 HydrophobicContact CG2-CD1 4.37Å; T609-L655 WeakPolarHBondContact OG1-CD1 3.2Å; T609-L681 HydrophobicContact CG2-CD1 4.22Å
610	F	94.2	Very high	90.3	Very high	88 Å²	88	60.6 Å²	60.6	39%	0.386	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	123.8	-178.6	-176.8	-109.4	0	0	0	109.8	E612 Y648 L650 L651	F610-E612 HydrophobicContact CD1-CB 4.35Å; F610-E612 HydrophobicContact CE1-CB 3.95Å; F610-E612 HydrophobicContact CE1-CG 4.29Å; F610-Y648 WeakPolarHBondContact CZ-O 3.39Å; F610-L650 WeakPolarHBondContact CA-O 3.35Å; F610-L651 HydrophobicContact CB-CD1 4.3Å; F610-L651 HydrophobicContact CD2-CB 4.01Å; F610-L651 HydrophobicContact CD2-CD1 4.37Å
611	L	93.8	Very high	90.2	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	100.5	176.7	-54.4	-175.5	0	0	0	108.1	I601 T609 W624 G649 L650 I652 Y663 L679 L681	I601-L611 HydrophobicContact CD1-CD2 3.66Å; I601-L611 HydrophobicContact CG2-CD2 4.3Å; T609-L611 HydrophobicContact CG2-CD2 4.04Å; L611-W624 HydrophobicContact CB-CH2 3.9Å; L611-W624 HydrophobicContact CB-CZ3 4.37Å; L611-W624 WeakPolarHBondContact O-CZ2 3.26Å; L611-G649 CarbonylContact O-C 3.54Å; L611-G649 VanDerWaalsContact O-CA 3.23Å; L611-G649 WeakPolarHBondContact O-CA 3.26Å; L611-L650 HydrophobicContact CB-CB 4.2Å; L611-L650 HydrophobicContact CD1-CD2 4.22Å; L611-L650 PolarHBondContact N-O 2.83Å; L611-L650 PolarHBondContact O-N 2.96Å; L611-I652 HydrophobicContact CD1-CD1 4.31Å; L611-Y663 HydrophobicContact CD1-CD1 3.55Å; L611-Y663 HydrophobicContact CD1-CD2 4.07Å; L611-Y663 HydrophobicContact CD1-CE1 3.86Å; L611-Y663 HydrophobicContact CD1-CE2 4.38Å; L611-Y663 HydrophobicContact CD1-CG 3.66Å; L611-L679 HydrophobicContact CB-CD1 3.69Å; L611-L679 HydrophobicContact CD2-CD1 4.44Å; L611-L679 HydrophobicContact CG-CD1 4.47Å; L611-L681 HydrophobicContact CD2-CD1 4.43Å
612	E	92.3	Very high	90	Very high	118 Å²	118	60.2 Å²	60.2	55%	0.551	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	130.1	-177.3	-172.1	-179.6	-173.5	0	0	111.5	F610 I614	F610-E612 HydrophobicContact CD1-CB 4.35Å; F610-E612 HydrophobicContact CE1-CB 3.95Å; F610-E612 HydrophobicContact CE1-CG 4.29Å; E612-I614 HydrophobicContact CG-CD1 4.23Å; E612-I614 HydrophobicContact CG-CG1 4.31Å; E612-I614 WeakPolarHBondContact OE1-CD1 3.3Å
613	C	90.9	Very high	90	Very high	5 Å²	5	56.7 Å²	56.7	3%	0.034	29%	0.287	C	S	.	.			trans	-153	112	168.4	-178.3	0	0	0	0	110	W624 Y648 C665 V677	C613-W624 HydrophobicContact CB-CH2 3.7Å; C613-W624 HydrophobicContact CB-CZ2 3.38Å; C613-Y648 CarbonylContact C-O 3.54Å; C613-Y648 PolarHBondContact N-O 2.82Å; C613-Y648 CarbonylContact O-C 3.47Å; C613-C665 HydrophobicContact CB-CB 3.63Å; C613-C665 WeakPolarHBondContact CB-SG 3.5Å; C613-C665 WeakPolarHBondContact SG-CB 3.38Å; C613-C665 CovalentContact SG-SG 2.01Å; C613-C665 PolarHBondContact SG-SG 3.39Å; C613-V677 HydrophobicContact CB-CG1 4.06Å
614	I	87.3	Confident	90	Very high	80 Å²	80	56.8 Å²	56.8	41%	0.41	29%	0.287	S	S	.	.			trans	-118.6	115.9	-177.8	-57.9	170.4	0	0	0	107.5	E612 Y648	E612-I614 HydrophobicContact CG-CD1 4.23Å; E612-I614 HydrophobicContact CG-CG1 4.31Å; E612-I614 WeakPolarHBondContact OE1-CD1 3.3Å; I614-Y648 HydrophobicContact CD1-CD1 3.93Å; I614-Y648 HydrophobicContact CG1-CD1 4.21Å
615	P	85.9	Confident	90.2	Very high	18 Å²	18	56.3 Å²	56.3	12%	0.117	28%	0.282	C	S	.	.			trans	-69.4	145.1	173.4	28.6	-30.5	0	0	0	109.9	A620 I622 I676	P615-A620 HydrophobicContact CB-CB 4.04Å; P615-I622 HydrophobicContact CB-CD1 3.78Å; P615-I622 HydrophobicContact CG-CD1 3.7Å; P615-I622 HydrophobicContact CG-CG1 3.9Å; P615-I676 HydrophobicContact CB-CD1 3.98Å
616	K	82.9	Confident	90.2	Very high	121 Å²	121	54.5 Å²	54.5	53%	0.526	27%	0.273	S	S	.	.	S	Bend	trans	-64.8	-43	170.7	-70.8	-173	172.9	-169.6	0	111.7	L45 T536	L45-K616 HydrophobicContact CD2-CB 4.32Å; L45-K616 WeakPolarHBondContact CD2-O 3.33Å; T536-K616 PolarHBondContact O-NZ 2.91Å
617	S	87.9	Confident	90.4	Very high	8 Å²	8	50.9 Å²	50.9	6%	0.056	26%	0.258	C	S	.	.			trans	-79.4	126.6	177.6	177.6	0	0	0	0	111	R44 Q619 A620 E669	R44-S617 WeakPolarHBondContact CG-OG 3.35Å; R44-S617 CarbonylContact O-C 3.54Å; R44-S617 VanDerWaalsContact O-CA 3.28Å; R44-S617 WeakPolarHBondContact O-CA 3.4Å; S617-Q619 PolarHBondContact O-N 3.16Å; S617-Q619 WeakPolarHBondContact OG-CB 3.38Å; S617-Q619 PolarHBondContact OG-N 3.03Å; S617-Q619 VanDerWaalsContact OG-N 3.12Å; S617-A620 WeakPolarHBondContact O-CB 3.46Å; S617-A620 PolarHBondContact O-N 3.33Å; S617-A620 PolarHBondContact OG-N 3.24Å; S617-E669 WeakPolarHBondContact CB-OE1 3.26Å; S617-E669 PolarHBondContact OG-OE1 2.88Å
618	Q	88.8	Confident	90.2	Very high	96 Å²	96	50.8 Å²	50.8	45%	0.449	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-12.7	171.3	-55.3	-65.3	-45.4	0	0	112.5	I42 P43 R44 A620	I42-Q618 HydrophobicContact CG2-CB 3.79Å; P43-Q618 WeakPolarHBondContact O-CB 3.42Å; R44-Q618 PolarHBondContact O-N 3Å; Q618-A620 VanDerWaalsContact C-N 3.35Å
619	Q	88.4	Confident	89.5	Confident	59 Å²	59	52.5 Å²	52.5	28%	0.276	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-15.8	173.7	-61.9	174.2	-3.1	0	0	111.6	I42 S617	I42-Q619 PolarHBondContact O-NE2 3.04Å; S617-Q619 PolarHBondContact O-N 3.16Å; S617-Q619 WeakPolarHBondContact OG-CB 3.38Å; S617-Q619 PolarHBondContact OG-N 3.03Å; S617-Q619 VanDerWaalsContact OG-N 3.12Å
620	A	88.6	Confident	88.5	Confident	14 Å²	14	55.5 Å²	55.5	12%	0.116	30%	0.298	C	S	.	.			trans	-75.8	145.6	178.7	0	0	0	0	0	112.2	P615 S617 Q618 A667 Q668 E669	P615-A620 HydrophobicContact CB-CB 4.04Å; S617-A620 WeakPolarHBondContact O-CB 3.46Å; S617-A620 PolarHBondContact O-N 3.33Å; S617-A620 PolarHBondContact OG-N 3.24Å; Q618-A620 VanDerWaalsContact C-N 3.35Å; A620-A667 HydrophobicContact CB-CB 4.1Å; A620-Q668 WeakPolarHBondContact CA-O 3.4Å; A620-E669 HydrophobicContact CB-CB 4.3Å
621	T	89.1	Confident	87.8	Confident	71 Å²	71	55.2 Å²	55.2	44%	0.436	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	136.6	171.8	56.5	0	0	0	0	109.9	A667 Q668	T621-A667 WeakPolarHBondContact O-CA 3.46Å; T621-Q668 PolarHBondContact N-O 3.19Å; T621-Q668 PolarHBondContact O-N 2.82Å; T621-Q668 PolarHBondContact OG1-O 2.79Å
622	I	89.5	Confident	86.9	Confident	44 Å²	44	63.6 Å²	63.6	23%	0.226	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	131.4	-177.5	-62.3	-55.5	0	0	0	111.2	P615 C665 K666 A667 I676	P615-I622 HydrophobicContact CB-CD1 3.78Å; P615-I622 HydrophobicContact CG-CD1 3.7Å; P615-I622 HydrophobicContact CG-CG1 3.9Å; I622-C665 WeakPolarHBondContact CG2-SG 3.38Å; I622-K666 WeakPolarHBondContact CA-O 3.45Å; I622-A667 HydrophobicContact CD1-CB 4.04Å; I622-I676 HydrophobicContact CD1-CD1 3.55Å
623	K	90.4	Very high	86.4	Confident	60 Å²	60	65.3 Å²	65.3	26%	0.261	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	138.4	170.4	-68.5	-177.6	173.4	173.5	0	110	Y625 K666 Q668	K623-Y625 HydrophobicContact CB-CE2 3.84Å; K623-K666 PolarHBondContact N-O 3.1Å; K623-K666 PolarHBondContact O-N 2.89Å; K623-Q668 VanDerWaalsContact CE-OE1 3.27Å
624	W	92.7	Very high	86.3	Confident	3 Å²	3	70.4 Å²	70.4	1%	0.011	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	133.6	-178.2	-77.6	96.8	0	0	0	110	L611 C613 L637 L650 Y664 C665 L679	L611-W624 HydrophobicContact CB-CH2 3.9Å; L611-W624 HydrophobicContact CB-CZ3 4.37Å; L611-W624 WeakPolarHBondContact O-CZ2 3.26Å; C613-W624 HydrophobicContact CB-CH2 3.7Å; C613-W624 HydrophobicContact CB-CZ2 3.38Å; W624-L637 HydrophobicContact CB-CB 4.14Å; W624-L637 HydrophobicContact CB-CD1 4Å; W624-L637 PolarHBondContact O-N 3.12Å; W624-L650 HydrophobicContact CD2-CB 4.08Å; W624-L650 HydrophobicContact CD2-CD2 4.37Å; W624-L650 HydrophobicContact CG-CB 4.48Å; W624-L650 HydrophobicContact CG-CD1 4.28Å; W624-L650 HydrophobicContact CG-CD2 4.49Å; W624-L650 HydrophobicContact CH2-CB 4.4Å; W624-L650 HydrophobicContact CZ2-CB 3.87Å; W624-Y664 WeakPolarHBondContact CA-O 3.43Å; W624-C665 HydrophobicContact CD2-CB 4.34Å; W624-C665 HydrophobicContact CE3-CB 4.07Å; W624-C665 HydrophobicContact CH2-CB 3.8Å; W624-C665 HydrophobicContact CZ2-CB 4.06Å; W624-C665 HydrophobicContact CZ3-CB 3.79Å; W624-L679 HydrophobicContact CH2-CD1 3.78Å; W624-L679 HydrophobicContact CZ3-CD1 4Å
625	Y	92.6	Very high	86.4	Confident	44 Å²	44	71.4 Å²	71.4	17%	0.173	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	146.7	173.4	-60.6	-97.9	0	0	0	109.9	K623 E635 E636 Y663 Y664 K666	K623-Y625 HydrophobicContact CB-CE2 3.84Å; Y625-E635 CarbonylContact C-O 3.5Å; Y625-E635 WeakPolarHBondContact CA-O 3.38Å; Y625-E636 HydrophobicContact CD1-CB 3.88Å; Y625-E636 HydrophobicContact CD1-CG 4.36Å; Y625-E636 HydrophobicContact CE1-CB 3.58Å; Y625-E636 HydrophobicContact CE1-CG 3.91Å; Y625-Y663 CarbonylContact O-C 3.59Å; Y625-Y663 WeakPolarHBondContact O-CA 3.35Å; Y625-Y664 PolarHBondContact N-O 2.97Å; Y625-Y664 PolarHBondContact O-N 3.19Å; Y625-K666 HydrophobicContact CD2-CD 3.93Å; Y625-K666 HydrophobicContact CD2-CG 4.14Å; Y625-K666 HydrophobicContact CE2-CB 4.37Å; Y625-K666 HydrophobicContact CE2-CD 3.85Å; Y625-K666 HydrophobicContact CE2-CG 4.29Å
626	I	92.2	Very high	86.6	Confident	3 Å²	3	74.5 Å²	74.5	2%	0.015	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	139.1	173.6	-170.5	175.8	0	0	0	109.6	R628 E635 L637 M662 Y663	I626-R628 HydrophobicContact CD1-CG 4.04Å; I626-R628 HydrophobicContact CG1-CG 4.24Å; I626-E635 HydrophobicContact CG2-CB 4.22Å; I626-E635 PolarHBondContact N-O 3.19Å; I626-E635 PolarHBondContact O-N 3.08Å; I626-L637 HydrophobicContact CB-CD1 4.04Å; I626-L637 HydrophobicContact CB-CD2 4.12Å; I626-L637 HydrophobicContact CB-CG 4.04Å; I626-L637 HydrophobicContact CG2-CD1 4.45Å; I626-L637 HydrophobicContact CG2-CD2 3.7Å; I626-L637 HydrophobicContact CG2-CG 3.9Å; I626-M662 CarbonylContact C-O 3.57Å; I626-M662 WeakPolarHBondContact CA-O 3.37Å; I626-Y663 HydrophobicContact CB-CD1 4.5Å; I626-Y663 HydrophobicContact CB-CE1 4.41Å; I626-Y663 HydrophobicContact CD1-CE1 3.96Å; I626-Y663 HydrophobicContact CD1-CE2 3.88Å; I626-Y663 VanDerWaalsContact CD1-CZ 3.48Å; I626-Y663 WeakPolarHBondContact CD1-OH 3.39Å; I626-Y663 HydrophobicContact CG1-CD2 4.44Å; I626-Y663 HydrophobicContact CG1-CE1 4.24Å; I626-Y663 HydrophobicContact CG1-CE2 4.11Å
627	Q	91.8	Very high	86.9	Confident	48 Å²	48	69.3 Å²	69.3	22%	0.224	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	110.2	165.1	-175.9	175.5	5	0	0	107.7	D631 R634 G661 M662 Y664	Q627-D631 WeakPolarHBondContact CG-O 3.45Å; Q627-D631 PolarHBondContact NE2-O 2.65Å; Q627-R634 HydrophobicContact CB-CG 4.37Å; Q627-G661 CarbonylContact O-C 3.54Å; Q627-G661 WeakPolarHBondContact O-CA 3.26Å; Q627-M662 HydrophobicContact CB-CB 4.44Å; Q627-M662 PolarHBondContact N-O 2.66Å; Q627-M662 PolarHBondContact O-N 3.23Å; Q627-Y664 HydrophobicContact CB-CE2 3.81Å; Q627-Y664 PolarHBondContact OE1-OH 3.12Å
628	R	88.4	Confident	86.9	Confident	87 Å²	87	77 Å²	77	33%	0.328	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	154.5	-178.5	-63	-173.9	-173.2	89.6	4.5	110.2	I626 G630 D631 E635	I626-R628 HydrophobicContact CD1-CG 4.04Å; I626-R628 HydrophobicContact CG1-CG 4.24Å; R628-G630 PolarHBondContact O-N 3.41Å; R628-G630 VanDerWaalsContact O-N 3.15Å; R628-D631 PolarHBondContact O-N 2.79Å; R628-E635 IonicContact CZ-OE2 3.88Å; R628-E635 VanDerWaalsContact CZ-OE2 3.31Å; R628-E635 IonicContact NH1-OE2 3.8Å; R628-E635 PolarHBondContact NH1-OE2 3.34Å; R628-E635 IonicContact NH2-OE2 2.82Å; R628-E635 PolarHBondContact NH2-OE2 2.77Å
629	S	78.1	Confident	86.8	Confident	115 Å²	115	76.5 Å²	76.5	80%	0.804	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	117.7	178.9	-166.5	0	0	0	0	110.5
630	G	72.9	Confident	86.8	Confident	84 Å²	84	77.6 Å²	77.6	87%	0.866	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.5	-6.4	-177	0	0	0	0	0	115.7	R628	R628-G630 PolarHBondContact O-N 3.41Å; R628-G630 VanDerWaalsContact O-N 3.15Å
631	D	78.9	Confident	86.8	Confident	82 Å²	82	85.4 Å²	85.4	44%	0.439	44%	0.439	S	S	.	.			trans	-97	133.3	173.8	-94.3	-32.6	0	0	0	111.6	Q627 R628	Q627-D631 WeakPolarHBondContact CG-O 3.45Å; Q627-D631 PolarHBondContact NE2-O 2.65Å; R628-D631 PolarHBondContact O-N 2.79Å
632	E	75.6	Confident	86.9	Confident	176 Å²	176	83.8 Å²	83.8	82%	0.822	43%	0.425	S	S	*	.			trans	-80.4	-23.5	170.5	-67.4	-163.3	159.9	0	0	112.5
633	H	82.1	Confident	87	Confident	154 Å²	154	82.1 Å²	82.1	71%	0.713	42%	0.417	S	S	*	.	S	Bend	trans	-91.3	139.3	-174.4	-72	76.8	0	0	0	112.3
634	R	87.9	Confident	87	Confident	112 Å²	112	81.6 Å²	81.6	42%	0.423	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-90.3	127.2	173.1	-59.8	-179.2	-175.9	172.5	4.5	109.4	Q627 Y664	Q627-R634 HydrophobicContact CB-CG 4.37Å; R634-Y664 HydrophobicContact CG-CE2 4.28Å; R634-Y664 PolarHBondContact NE-OH 3.05Å; R634-Y664 PolarHBondContact NH2-OH 2.94Å
635	E	89.3	Confident	86.9	Confident	100 Å²	100	84.9 Å²	84.9	47%	0.467	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	135	177.6	-170.4	-175.6	-175.2	0	0	110.5	Y625 I626 R628 L637	Y625-E635 CarbonylContact C-O 3.5Å; Y625-E635 WeakPolarHBondContact CA-O 3.38Å; I626-E635 HydrophobicContact CG2-CB 4.22Å; I626-E635 PolarHBondContact N-O 3.19Å; I626-E635 PolarHBondContact O-N 3.08Å; R628-E635 IonicContact CZ-OE2 3.88Å; R628-E635 VanDerWaalsContact CZ-OE2 3.31Å; R628-E635 IonicContact NH1-OE2 3.8Å; R628-E635 PolarHBondContact NH1-OE2 3.34Å; R628-E635 IonicContact NH2-OE2 2.82Å; R628-E635 PolarHBondContact NH2-OE2 2.77Å; E635-L637 PolarHBondContact O-N 2.97Å
636	E	90.6	Very high	86.6	Confident	83 Å²	83	85.5 Å²	85.5	39%	0.388	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	123.7	172.5	-169.6	175	167	0	0	110.4	Y625 K638	Y625-E636 HydrophobicContact CD1-CB 3.88Å; Y625-E636 HydrophobicContact CD1-CG 4.36Å; Y625-E636 HydrophobicContact CE1-CB 3.58Å; Y625-E636 HydrophobicContact CE1-CG 3.91Å; E636-K638 PolarHBondContact O-N 3.34Å
637	L	89.8	Confident	86.1	Confident	12 Å²	12	93.1 Å²	93.1	6%	0.063	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-72.4	118.8	179.5	-76.7	165.9	0	0	0	110.4	W624 I626 E635 I643 K645 L650 Y663	W624-L637 HydrophobicContact CB-CB 4.14Å; W624-L637 HydrophobicContact CB-CD1 4Å; W624-L637 PolarHBondContact O-N 3.12Å; I626-L637 HydrophobicContact CB-CD1 4.04Å; I626-L637 HydrophobicContact CB-CD2 4.12Å; I626-L637 HydrophobicContact CB-CG 4.04Å; I626-L637 HydrophobicContact CG2-CD1 4.45Å; I626-L637 HydrophobicContact CG2-CD2 3.7Å; I626-L637 HydrophobicContact CG2-CG 3.9Å; E635-L637 PolarHBondContact O-N 2.97Å; L637-I643 HydrophobicContact CD2-CD1 4.26Å; L637-K645 WeakPolarHBondContact O-CE 3.06Å; L637-K645 PolarHBondContact O-NZ 3.45Å; L637-L650 HydrophobicContact CD1-CD2 3.83Å; L637-Y663 HydrophobicContact CD1-CD1 3.59Å; L637-Y663 HydrophobicContact CD1-CE1 3.58Å
638	K	87.6	Confident	85.9	Confident	171 Å²	171	97.6 Å²	97.6	74%	0.743	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-89.4	136.8	171.6	-64.9	-176.9	-177.3	176.2	0	109.7	E636	E636-K638 PolarHBondContact O-N 3.34Å
639	P	86.9	Confident	86	Confident	85 Å²	85	93.5 Å²	93.5	55%	0.552	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-65	140.5	175	27.2	-31.3	0	0	0	110.3	I643	P639-I643 WeakPolarHBondContact CA-O 3.37Å
640	D	87.8	Confident	86.7	Confident	82 Å²	82	88 Å²	88	44%	0.439	44%	0.437	S	S	.	.			trans	-140.4	-172.9	175.8	70.7	18.1	0	0	0	109.9	R642 I643	D640-R642 PolarHBondContact O-N 3.29Å; D640-R642 VanDerWaalsContact O-N 3.14Å; D640-R642 VanDerWaalsContact OD1-CA 3.32Å; D640-R642 WeakPolarHBondContact OD1-CA 3.4Å; D640-R642 WeakPolarHBondContact OD1-CB 3.44Å; D640-R642 PolarHBondContact OD1-N 2.7Å; D640-I643 PolarHBondContact N-O 2.73Å; D640-I643 PolarHBondContact O-N 3.5Å; D640-I643 VanDerWaalsContact O-O 3.08Å; D640-I643 WeakPolarHBondContact OD1-CB 3.46Å; D640-I643 PolarHBondContact OD1-N 3.34Å
641	E	87.8	Confident	87.8	Confident	178 Å²	178	86.4 Å²	86.4	83%	0.832	41%	0.408	S	S	*	.	S	Bend	trans	-61.7	-21.9	-180	-68.4	-169.7	165.9	0	0	113.9	R653	E641-R653 WeakPolarHBondContact O-CD 3.46Å; E641-R653 PolarHBondContact O-NH1 3.03Å
642	R	91.8	Very high	88.5	Confident	37 Å²	37	82.5 Å²	82.5	14%	0.14	39%	0.387	C	S	.	.	S	Bend	trans	-102.1	-32.3	-175.7	-170.5	178.2	70.2	90.3	-3.5	112	D640 I652 R653 S654 D659	D640-R642 PolarHBondContact O-N 3.29Å; D640-R642 VanDerWaalsContact O-N 3.14Å; D640-R642 VanDerWaalsContact OD1-CA 3.32Å; D640-R642 WeakPolarHBondContact OD1-CA 3.4Å; D640-R642 WeakPolarHBondContact OD1-CB 3.44Å; D640-R642 PolarHBondContact OD1-N 2.7Å; R642-I652 CarbonylContact O-C 3.59Å; R642-I652 WeakPolarHBondContact O-CA 3.49Å; R642-R653 PolarHBondContact O-N 3.01Å; R642-S654 WeakPolarHBondContact CD-O 3.04Å; R642-S654 WeakPolarHBondContact CG-O 3.28Å; R642-S654 PolarHBondContact NH1-O 2.85Å; R642-D659 IonicContact CZ-OD1 2.76Å; R642-D659 IonicContact CZ-OD2 2.66Å; R642-D659 IonicContact NH1-OD1 2.8Å; R642-D659 PolarHBondContact NH1-OD1 3.3Å; R642-D659 IonicContact NH1-OD2 3.31Å; R642-D659 PolarHBondContact NH1-OD2 3.35Å; R642-D659 IonicContact NH2-OD1 2.81Å; R642-D659 PolarHBondContact NH2-OD1 3.1Å; R642-D659 IonicContact NH2-OD2 3.23Å
643	I	91.9	Very high	89.3	Confident	9 Å²	9	80.9 Å²	80.9	5%	0.046	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	106.6	-176.2	-59.1	179.8	0	0	0	108.7	L637 P639 D640 L650 L651	L637-I643 HydrophobicContact CD2-CD1 4.26Å; P639-I643 WeakPolarHBondContact CA-O 3.37Å; D640-I643 PolarHBondContact N-O 2.73Å; D640-I643 PolarHBondContact O-N 3.5Å; D640-I643 VanDerWaalsContact O-O 3.08Å; D640-I643 WeakPolarHBondContact OD1-CB 3.46Å; D640-I643 PolarHBondContact OD1-N 3.34Å; I643-L650 HydrophobicContact CG2-CD1 3.58Å; I643-L650 HydrophobicContact CG2-CD2 4.26Å; I643-L650 HydrophobicContact CG2-CG 4.08Å; I643-L651 WeakPolarHBondContact CA-O 3.44Å
644	I	90.9	Very high	89.8	Confident	49 Å²	49	75.4 Å²	75.4	25%	0.251	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	121.4	-179.1	-61.1	178.7	0	0	0	109.3	T646 L651 R653	I644-T646 HydrophobicContact CG2-CG2 4.09Å; I644-L651 HydrophobicContact CB-CB 4.3Å; I644-L651 PolarHBondContact N-O 3.24Å; I644-L651 PolarHBondContact O-N 3.17Å; I644-R653 HydrophobicContact CD1-CG 4.35Å; I644-R653 VanDerWaalsContact CD1-NH2 3.32Å
645	K	89.4	Confident	90	Very high	72 Å²	72	70 Å²	70	31%	0.313	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	125.8	169.1	-64.1	-178.4	-179.2	-178.4	0	108.7	L637 L650	L637-K645 WeakPolarHBondContact O-CE 3.06Å; L637-K645 PolarHBondContact O-NZ 3.45Å; K645-L650 HydrophobicContact CG-CD1 3.81Å
646	T	87.3	Confident	90.1	Very high	57 Å²	57	68.4 Å²	68.4	35%	0.35	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	169.9	174.6	77.4	0	0	0	0	109.9	I644 Y648 G649	I644-T646 HydrophobicContact CG2-CG2 4.09Å; T646-Y648 PolarHBondContact O-N 3.44Å; T646-Y648 PolarHBondContact OG1-N 3.45Å; T646-G649 PolarHBondContact N-O 3.34Å; T646-G649 PolarHBondContact O-N 3.47Å; T646-G649 PolarHBondContact OG1-N 3.04Å; T646-G649 VanDerWaalsContact OG1-N 3.16Å; T646-G649 PolarHBondContact OG1-O 2.69Å
647	E	82.3	Confident	90	Very high	162 Å²	162	70.5 Å²	70.5	76%	0.757	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-19.4	174.5	-62.3	-174.9	156	0	0	113
648	Y	86.3	Confident	89.9	Confident	143 Å²	143	75.9 Å²	75.9	56%	0.561	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	-8.5	-177.1	-57.8	-77.9	0	0	0	113.4	F610 C613 I614 T646	F610-Y648 WeakPolarHBondContact CZ-O 3.39Å; C613-Y648 CarbonylContact C-O 3.54Å; C613-Y648 PolarHBondContact N-O 2.82Å; C613-Y648 CarbonylContact O-C 3.47Å; I614-Y648 HydrophobicContact CD1-CD1 3.93Å; I614-Y648 HydrophobicContact CG1-CD1 4.21Å; T646-Y648 PolarHBondContact O-N 3.44Å; T646-Y648 PolarHBondContact OG1-N 3.45Å
649	G	91	Very high	90	Very high	1 Å²	1	68.1 Å²	68.1	1%	0.01	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	154.1	-155	-176.4	0	0	0	0	0	115.2	L611 T646	L611-G649 CarbonylContact O-C 3.54Å; L611-G649 VanDerWaalsContact O-CA 3.23Å; L611-G649 WeakPolarHBondContact O-CA 3.26Å; T646-G649 PolarHBondContact N-O 3.34Å; T646-G649 PolarHBondContact O-N 3.47Å; T646-G649 PolarHBondContact OG1-N 3.04Å; T646-G649 VanDerWaalsContact OG1-N 3.16Å; T646-G649 PolarHBondContact OG1-O 2.69Å
650	L	93.8	Very high	90.3	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	119.7	-178.6	-167.8	75.1	0	0	0	110.6	F610 L611 W624 L637 I643 K645 I652 Y663	F610-L650 WeakPolarHBondContact CA-O 3.35Å; L611-L650 HydrophobicContact CB-CB 4.2Å; L611-L650 HydrophobicContact CD1-CD2 4.22Å; L611-L650 PolarHBondContact N-O 2.83Å; L611-L650 PolarHBondContact O-N 2.96Å; W624-L650 HydrophobicContact CD2-CB 4.08Å; W624-L650 HydrophobicContact CD2-CD2 4.37Å; W624-L650 HydrophobicContact CG-CB 4.48Å; W624-L650 HydrophobicContact CG-CD1 4.28Å; W624-L650 HydrophobicContact CG-CD2 4.49Å; W624-L650 HydrophobicContact CH2-CB 4.4Å; W624-L650 HydrophobicContact CZ2-CB 3.87Å; L637-L650 HydrophobicContact CD1-CD2 3.83Å; I643-L650 HydrophobicContact CG2-CD1 3.58Å; I643-L650 HydrophobicContact CG2-CD2 4.26Å; I643-L650 HydrophobicContact CG2-CG 4.08Å; K645-L650 HydrophobicContact CG-CD1 3.81Å; L650-I652 HydrophobicContact CD2-CG1 4.44Å; L650-Y663 HydrophobicContact CD2-CD1 4.09Å; L650-Y663 HydrophobicContact CD2-CE1 4.02Å
651	L	94.1	Very high	90.5	Very high	49 Å²	49	62.1 Å²	62.1	26%	0.257	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	119.4	173.1	178	65.3	0	0	0	110.2	F610 I643 I644 R653	F610-L651 HydrophobicContact CB-CD1 4.3Å; F610-L651 HydrophobicContact CD2-CB 4.01Å; F610-L651 HydrophobicContact CD2-CD1 4.37Å; I643-L651 WeakPolarHBondContact CA-O 3.44Å; I644-L651 HydrophobicContact CB-CB 4.3Å; I644-L651 PolarHBondContact N-O 3.24Å; I644-L651 PolarHBondContact O-N 3.17Å; L651-R653 HydrophobicContact CD2-CG 4.45Å
652	I	94.6	Very high	90.7	Very high	0 Å²	0	56 Å²	56	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	109.7	169.8	-56.3	171.7	0	0	0	106.8	S608 T609 L611 R642 L650 L655 Y663 L681	S608-I652 CarbonylContact C-O 3.59Å; S608-I652 WeakPolarHBondContact CA-O 3.03Å; T609-I652 PolarHBondContact N-O 3.33Å; T609-I652 PolarHBondContact O-N 2.74Å; L611-I652 HydrophobicContact CD1-CD1 4.31Å; R642-I652 CarbonylContact O-C 3.59Å; R642-I652 WeakPolarHBondContact O-CA 3.49Å; L650-I652 HydrophobicContact CD2-CG1 4.44Å; I652-L655 HydrophobicContact CG2-CG 4.37Å; I652-Y663 HydrophobicContact CD1-CE1 4.25Å; I652-L681 HydrophobicContact CD1-CD2 3.99Å
653	R	92.7	Very high	90.8	Very high	143 Å²	143	54.3 Å²	54.3	54%	0.54	26%	0.255	S	S	.	.	S	Bend	trans	-70.1	-33.5	-174.4	-75.3	-179.8	163.7	169.8	-3.8	113.9	S608 E641 R642 I644 L651	S608-R653 WeakPolarHBondContact CA-O 3.37Å; S608-R653 WeakPolarHBondContact CB-O 3.39Å; E641-R653 WeakPolarHBondContact O-CD 3.46Å; E641-R653 PolarHBondContact O-NH1 3.03Å; R642-R653 PolarHBondContact O-N 3.01Å; I644-R653 HydrophobicContact CD1-CG 4.35Å; I644-R653 VanDerWaalsContact CD1-NH2 3.32Å; L651-R653 HydrophobicContact CD2-CG 4.45Å
654	S	91.9	Very high	90.8	Very high	38 Å²	38	54.2 Å²	54.2	27%	0.266	25%	0.254	S	S	.	.	S	Bend	trans	-142.8	110.3	179.6	-173.9	0	0	0	0	108.6	R642	R642-S654 WeakPolarHBondContact CD-O 3.04Å; R642-S654 WeakPolarHBondContact CG-O 3.28Å; R642-S654 PolarHBondContact NH1-O 2.85Å
655	L	92.4	Very high	90.9	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	24%	0.242	C	C	.	.			trans	-72.2	138.1	178.9	-97	146.1	0	0	0	112	I604 F606 N607 T609 I652 D659 L681 V683	I604-L655 WeakPolarHBondContact O-CB 3.18Å; F606-L655 PolarHBondContact N-O 2.83Å; N607-L655 PolarHBondContact O-N 3.12Å; T609-L655 HydrophobicContact CG2-CD1 4.37Å; T609-L655 WeakPolarHBondContact OG1-CD1 3.2Å; I652-L655 HydrophobicContact CG2-CG 4.37Å; L655-D659 HydrophobicContact CD2-CB 4.39Å; L655-L681 HydrophobicContact CD2-CD2 4.02Å; L655-L681 HydrophobicContact CD2-CG 4.47Å; L655-V683 HydrophobicContact CD2-CB 4.41Å; L655-V683 HydrophobicContact CD2-CG1 4.14Å; L655-V683 HydrophobicContact CD2-CG2 3.52Å
656	Q	91.5	Very high	90.9	Very high	65 Å²	65	50.7 Å²	50.7	30%	0.304	24%	0.237	S	C	.	.			trans	-125.7	154	172.7	-62	-174.8	-10.9	0	0	109	K658 D659	Q656-K658 HydrophobicContact CB-CG 4.07Å; Q656-K658 PolarHBondContact O-N 3.5Å; Q656-D659 WeakPolarHBondContact CA-OD2 3.13Å; Q656-D659 PolarHBondContact N-OD2 3.5Å; Q656-D659 WeakPolarHBondContact O-CB 3.47Å; Q656-D659 PolarHBondContact O-N 3.16Å
657	K	88.1	Confident	91	Very high	128 Å²	128	48 Å²	48	56%	0.557	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-51.3	-34.3	177.6	-172.5	172.5	-178.5	167.3	0	114	D659 S660 E685	K657-D659 PolarHBondContact O-N 3.36Å; K657-S660 VanDerWaalsContact O-CB 3.31Å; K657-S660 WeakPolarHBondContact O-CB 3.41Å; K657-S660 PolarHBondContact O-N 2.82Å; K657-E685 WeakPolarHBondContact CD-OE1 3.28Å; K657-E685 VanDerWaalsContact CE-OE1 3.28Å; K657-E685 WeakPolarHBondContact CE-OE1 3.41Å; K657-E685 IonicContact NZ-OE1 2.96Å; K657-E685 PolarHBondContact NZ-OE1 3.29Å
658	K	88	Confident	91.3	Very high	125 Å²	125	42.6 Å²	42.6	54%	0.543	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-67.8	-14.5	178.7	76.6	-172.1	-167.6	-160.8	0	114.8	Q656 S660	Q656-K658 HydrophobicContact CB-CG 4.07Å; Q656-K658 PolarHBondContact O-N 3.5Å; K658-S660 VanDerWaalsContact C-N 3.25Å
659	D	90.3	Very high	91.3	Very high	7 Å²	7	36.1 Å²	36.1	4%	0.037	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-83.7	-5.9	177.9	-55.2	-47.1	0	0	0	112.2	R642 L655 Q656 K657 G661 Y663	R642-D659 IonicContact CZ-OD1 2.76Å; R642-D659 IonicContact CZ-OD2 2.66Å; R642-D659 IonicContact NH1-OD1 2.8Å; R642-D659 PolarHBondContact NH1-OD1 3.3Å; R642-D659 IonicContact NH1-OD2 3.31Å; R642-D659 PolarHBondContact NH1-OD2 3.35Å; R642-D659 IonicContact NH2-OD1 2.81Å; R642-D659 PolarHBondContact NH2-OD1 3.1Å; R642-D659 IonicContact NH2-OD2 3.23Å; L655-D659 HydrophobicContact CD2-CB 4.39Å; Q656-D659 WeakPolarHBondContact CA-OD2 3.13Å; Q656-D659 PolarHBondContact N-OD2 3.5Å; Q656-D659 WeakPolarHBondContact O-CB 3.47Å; Q656-D659 PolarHBondContact O-N 3.16Å; K657-D659 PolarHBondContact O-N 3.36Å; D659-G661 PolarHBondContact O-N 2.67Å; D659-Y663 VanDerWaalsContact O-CE2 3.26Å; D659-Y663 WeakPolarHBondContact O-CE2 3.46Å; D659-Y663 PolarHBondContact O-OH 3.18Å
660	S	92.1	Very high	90.9	Very high	34 Å²	34	40.9 Å²	40.9	24%	0.238	19%	0.192	C	C	.	.			trans	-64.2	130.4	174	-169.1	0	0	0	0	110.7	K657 K658 L681	K657-S660 VanDerWaalsContact O-CB 3.31Å; K657-S660 WeakPolarHBondContact O-CB 3.41Å; K657-S660 PolarHBondContact O-N 2.82Å; K658-S660 VanDerWaalsContact C-N 3.25Å; S660-L681 WeakPolarHBondContact CA-O 3.46Å; S660-L681 PolarHBondContact OG-O 2.66Å
661	G	92.6	Very high	90.3	Very high	8 Å²	8	46.5 Å²	46.5	8%	0.082	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157	-173.5	-177.5	0	0	0	0	0	113.6	Q627 D659 L681	Q627-G661 CarbonylContact O-C 3.54Å; Q627-G661 WeakPolarHBondContact O-CA 3.26Å; D659-G661 PolarHBondContact O-N 2.67Å; G661-L681 PolarHBondContact N-O 2.85Å; G661-L681 VanDerWaalsContact N-O 3.1Å; G661-L681 PolarHBondContact O-N 3.26Å
662	M	92.7	Very high	89.9	Confident	49 Å²	49	45.1 Å²	45.1	24%	0.241	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	121.5	179	-168.7	174.3	-71.2	0	0	110.3	I626 Q627 Y664	I626-M662 CarbonylContact C-O 3.57Å; I626-M662 WeakPolarHBondContact CA-O 3.37Å; Q627-M662 HydrophobicContact CB-CB 4.44Å; Q627-M662 PolarHBondContact N-O 2.66Å; Q627-M662 PolarHBondContact O-N 3.23Å; M662-Y664 HydrophobicContact CB-CE2 4.18Å; M662-Y664 HydrophobicContact CG-CE2 3.91Å; M662-Y664 HydrophobicContact SD-CE1 4.12Å; M662-Y664 HydrophobicContact SD-CE2 4.19Å; M662-Y664 VanDerWaalsContact SD-CZ 3.6Å; M662-Y664 PolarHBondContact SD-OH 3.18Å
663	Y	93.3	Very high	89.4	Confident	1 Å²	1	48.7 Å²	48.7	0%	0.004	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	132.3	177.4	-69.6	-108.7	0	0	0	109.6	L611 Y625 I626 L637 L650 I652 D659 K678 L679 L681	L611-Y663 HydrophobicContact CD1-CD1 3.55Å; L611-Y663 HydrophobicContact CD1-CD2 4.07Å; L611-Y663 HydrophobicContact CD1-CE1 3.86Å; L611-Y663 HydrophobicContact CD1-CE2 4.38Å; L611-Y663 HydrophobicContact CD1-CG 3.66Å; Y625-Y663 CarbonylContact O-C 3.59Å; Y625-Y663 WeakPolarHBondContact O-CA 3.35Å; I626-Y663 HydrophobicContact CB-CD1 4.5Å; I626-Y663 HydrophobicContact CB-CE1 4.41Å; I626-Y663 HydrophobicContact CD1-CE1 3.96Å; I626-Y663 HydrophobicContact CD1-CE2 3.88Å; I626-Y663 VanDerWaalsContact CD1-CZ 3.48Å; I626-Y663 WeakPolarHBondContact CD1-OH 3.39Å; I626-Y663 HydrophobicContact CG1-CD2 4.44Å; I626-Y663 HydrophobicContact CG1-CE1 4.24Å; I626-Y663 HydrophobicContact CG1-CE2 4.11Å; L637-Y663 HydrophobicContact CD1-CD1 3.59Å; L637-Y663 HydrophobicContact CD1-CE1 3.58Å; L650-Y663 HydrophobicContact CD2-CD1 4.09Å; L650-Y663 HydrophobicContact CD2-CE1 4.02Å; I652-Y663 HydrophobicContact CD1-CE1 4.25Å; D659-Y663 VanDerWaalsContact O-CE2 3.26Å; D659-Y663 WeakPolarHBondContact O-CE2 3.46Å; D659-Y663 PolarHBondContact O-OH 3.18Å; Y663-K678 WeakPolarHBondContact O-CA 3.39Å; Y663-L679 PolarHBondContact N-O 2.89Å; Y663-L679 PolarHBondContact O-N 3.14Å; Y663-L681 HydrophobicContact CD2-CB 3.94Å; Y663-L681 HydrophobicContact CD2-CD2 4.45Å; Y663-L681 HydrophobicContact CE2-CB 3.69Å; Y663-L681 HydrophobicContact CE2-CD2 3.63Å; Y663-L681 HydrophobicContact CE2-CG 4.31Å
664	Y	92.3	Very high	89	Confident	8 Å²	8	44.3 Å²	44.3	3%	0.031	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	116.1	177	-58.5	-99.2	0	0	0	108.4	W624 Y625 Q627 R634 M662 T675 K678	W624-Y664 WeakPolarHBondContact CA-O 3.43Å; Y625-Y664 PolarHBondContact N-O 2.97Å; Y625-Y664 PolarHBondContact O-N 3.19Å; Q627-Y664 HydrophobicContact CB-CE2 3.81Å; Q627-Y664 PolarHBondContact OE1-OH 3.12Å; R634-Y664 HydrophobicContact CG-CE2 4.28Å; R634-Y664 PolarHBondContact NE-OH 3.05Å; R634-Y664 PolarHBondContact NH2-OH 2.94Å; M662-Y664 HydrophobicContact CB-CE2 4.18Å; M662-Y664 HydrophobicContact CG-CE2 3.91Å; M662-Y664 HydrophobicContact SD-CE1 4.12Å; M662-Y664 HydrophobicContact SD-CE2 4.19Å; M662-Y664 VanDerWaalsContact SD-CZ 3.6Å; M662-Y664 PolarHBondContact SD-OH 3.18Å; Y664-T675 HydrophobicContact CD1-CG2 4.23Å; Y664-K678 HydrophobicContact CD1-CD 4.44Å; Y664-K678 HydrophobicContact CD1-CG 4Å; Y664-K678 HydrophobicContact CE1-CD 4.13Å; Y664-K678 HydrophobicContact CE1-CG 4.15Å
665	C	91.9	Very high	88.8	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	116.6	167	-175.6	0	0	0	0	108.9	C613 I622 W624 T675 I676 V677	C613-C665 HydrophobicContact CB-CB 3.63Å; C613-C665 WeakPolarHBondContact CB-SG 3.5Å; C613-C665 WeakPolarHBondContact SG-CB 3.38Å; C613-C665 CovalentContact SG-SG 2.01Å; C613-C665 PolarHBondContact SG-SG 3.39Å; I622-C665 WeakPolarHBondContact CG2-SG 3.38Å; W624-C665 HydrophobicContact CD2-CB 4.34Å; W624-C665 HydrophobicContact CE3-CB 4.07Å; W624-C665 HydrophobicContact CH2-CB 3.8Å; W624-C665 HydrophobicContact CZ2-CB 4.06Å; W624-C665 HydrophobicContact CZ3-CB 3.79Å; C665-T675 CarbonylContact O-C 3.49Å; C665-I676 PolarHBondContact O-N 2.96Å; C665-V677 HydrophobicContact CB-CG1 3.57Å; C665-V677 PolarHBondContact N-O 2.9Å
666	K	90.3	Very high	88.4	Confident	46 Å²	46	45.6 Å²	45.6	20%	0.2	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	131.9	177.4	-63.9	-167.3	171.3	-167.7	0	110.7	I622 K623 Y625 I673 H674 T675	I622-K666 WeakPolarHBondContact CA-O 3.45Å; K623-K666 PolarHBondContact N-O 3.1Å; K623-K666 PolarHBondContact O-N 2.89Å; Y625-K666 HydrophobicContact CD2-CD 3.93Å; Y625-K666 HydrophobicContact CD2-CG 4.14Å; Y625-K666 HydrophobicContact CE2-CB 4.37Å; Y625-K666 HydrophobicContact CE2-CD 3.85Å; Y625-K666 HydrophobicContact CE2-CG 4.29Å; K666-I673 HydrophobicContact CB-CG2 4.06Å; K666-I673 HydrophobicContact CD-CG2 4.03Å; K666-H674 CarbonylContact C-O 3.58Å; K666-H674 WeakPolarHBondContact CA-O 3.38Å; K666-H674 WeakPolarHBondContact CB-O 3.32Å; K666-T675 WeakPolarHBondContact CE-OG1 3.46Å
667	A	88.9	Confident	88.2	Confident	2 Å²	2	43 Å²	43	2%	0.017	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	135.1	167.8	0	0	0	0	0	110.1	A620 T621 I622 I673 H674 I676	A620-A667 HydrophobicContact CB-CB 4.1Å; T621-A667 WeakPolarHBondContact O-CA 3.46Å; I622-A667 HydrophobicContact CD1-CB 4.04Å; A667-I673 WeakPolarHBondContact O-CA 3.42Å; A667-H674 PolarHBondContact N-O 2.84Å; A667-H674 PolarHBondContact O-N 2.91Å; A667-I676 HydrophobicContact CB-CD1 3.34Å; A667-I676 HydrophobicContact CB-CG1 3.83Å
668	Q	88.2	Confident	88.4	Confident	48 Å²	48	38.6 Å²	38.6	22%	0.224	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	120.4	168.5	178.8	173.4	-1.5	0	0	109.4	A620 T621 K623 H670 F672 I673	A620-Q668 WeakPolarHBondContact CA-O 3.4Å; T621-Q668 PolarHBondContact N-O 3.19Å; T621-Q668 PolarHBondContact O-N 2.82Å; T621-Q668 PolarHBondContact OG1-O 2.79Å; K623-Q668 VanDerWaalsContact CE-OE1 3.27Å; Q668-H670 PolarHBondContact NE2-O 3.04Å; Q668-F672 WeakPolarHBondContact CA-O 3.16Å; Q668-I673 HydrophobicContact CB-CG1 3.94Å; Q668-I673 HydrophobicContact CG-CD1 4.33Å; Q668-I673 HydrophobicContact CG-CG1 3.79Å
669	E	87.1	Confident	88.7	Confident	6 Å²	6	32.8 Å²	32.8	3%	0.028	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	120.8	175.4	-175.2	168.5	-136.4	0	0	108.7	R44 L546 S617 A620 T671 F672	R44-E669 IonicContact CZ-OE1 2.79Å; R44-E669 IonicContact CZ-OE2 3.49Å; R44-E669 IonicContact NH1-OE1 2.64Å; R44-E669 PolarHBondContact NH1-OE1 3.37Å; R44-E669 IonicContact NH1-OE2 3.24Å; R44-E669 PolarHBondContact NH1-OE2 3.49Å; R44-E669 IonicContact NH2-OE1 3.23Å; R44-E669 IonicContact NH2-OE2 2.74Å; R44-E669 PolarHBondContact NH2-OE2 2.73Å; L546-E669 HydrophobicContact CD2-CG 4.46Å; S617-E669 WeakPolarHBondContact CB-OE1 3.26Å; S617-E669 PolarHBondContact OG-OE1 2.88Å; A620-E669 HydrophobicContact CB-CB 4.3Å; E669-T671 PolarHBondContact O-N 3.07Å; E669-F672 PolarHBondContact N-O 3.02Å; E669-F672 PolarHBondContact O-N 2.03Å
670	H	82.1	Confident	88.8	Confident	102 Å²	102	33.6 Å²	33.6	47%	0.472	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	-121.2	-165	-55.2	96.9	0	0	0	111.4	Q668	Q668-H670 PolarHBondContact NE2-O 3.04Å
671	T	81.4	Confident	88.9	Confident	117 Å²	117	32 Å²	32	72%	0.718	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-8.4	177.5	50	0	0	0	0	113.2	E669	E669-T671 PolarHBondContact O-N 3.07Å
672	F	84.6	Confident	89	Confident	20 Å²	20	34.4 Å²	34.4	9%	0.088	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	136.6	-175.9	-173.3	-108.4	0	0	0	111.6	A542 L546 P580 I581 I587 Q668 E669 H674	A542-F672 HydrophobicContact CB-CE1 3.63Å; A542-F672 HydrophobicContact CB-CZ 3.59Å; L546-F672 HydrophobicContact CD1-CD1 3.68Å; L546-F672 HydrophobicContact CD1-CE1 4.21Å; L546-F672 HydrophobicContact CD1-CG 4.44Å; L546-F672 HydrophobicContact CD2-CB 4.43Å; P580-F672 HydrophobicContact CB-CD2 4.31Å; P580-F672 HydrophobicContact CB-CE2 4.3Å; P580-F672 HydrophobicContact CG-CB 3.84Å; P580-F672 HydrophobicContact CG-CD1 3.98Å; P580-F672 HydrophobicContact CG-CD2 3.44Å; P580-F672 VanDerWaalsContact CG-CD2 3.44Å; P580-F672 HydrophobicContact CG-CE1 4.34Å; P580-F672 HydrophobicContact CG-CE2 3.9Å; P580-F672 HydrophobicContact CG-CG 3.47Å; P580-F672 VanDerWaalsContact CG-CG 3.47Å; P580-F672 HydrophobicContact CG-CZ 4.32Å; I581-F672 HydrophobicContact CG1-CD2 4.08Å; I587-F672 HydrophobicContact CD1-CE2 4.05Å; Q668-F672 WeakPolarHBondContact CA-O 3.16Å; E669-F672 PolarHBondContact N-O 3.02Å; E669-F672 PolarHBondContact O-N 2.03Å; F672-H674 HydrophobicContact CD1-CB 4.48Å; F672-H674 AromaticContact CD1-ND1 3.72Å; F672-H674 HydrophobicContact CE1-CB 3.73Å; F672-H674 AromaticContact CE1-CG 3.93Å; F672-H674 AromaticContact CE1-ND1 3.36Å; F672-H674 WeakPolarHBondContact CE1-ND1 3.27Å; F672-H674 HydrophobicContact CZ-CB 4.17Å
673	I	85.8	Confident	88.9	Confident	75 Å²	75	33.2 Å²	33.2	39%	0.385	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	127.5	178.1	-57.1	177.7	0	0	0	108.8	K666 A667 Q668	K666-I673 HydrophobicContact CB-CG2 4.06Å; K666-I673 HydrophobicContact CD-CG2 4.03Å; A667-I673 WeakPolarHBondContact O-CA 3.42Å; Q668-I673 HydrophobicContact CB-CG1 3.94Å; Q668-I673 HydrophobicContact CG-CD1 4.33Å; Q668-I673 HydrophobicContact CG-CG1 3.79Å
674	H	83.9	Confident	88.7	Confident	51 Å²	51	35.8 Å²	35.8	24%	0.236	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	157.7	174.2	67.3	-113.7	0	0	0	111.9	D543 K666 A667 F672	D543-H674 IonicContact OD1-CE1 2.7Å; K666-H674 CarbonylContact C-O 3.58Å; K666-H674 WeakPolarHBondContact CA-O 3.38Å; K666-H674 WeakPolarHBondContact CB-O 3.32Å; A667-H674 PolarHBondContact N-O 2.84Å; A667-H674 PolarHBondContact O-N 2.91Å; F672-H674 HydrophobicContact CD1-CB 4.48Å; F672-H674 AromaticContact CD1-ND1 3.72Å; F672-H674 HydrophobicContact CE1-CB 3.73Å; F672-H674 AromaticContact CE1-CG 3.93Å; F672-H674 AromaticContact CE1-ND1 3.36Å; F672-H674 WeakPolarHBondContact CE1-ND1 3.27Å; F672-H674 HydrophobicContact CZ-CB 4.17Å
675	T	86.4	Confident	88.4	Confident	17 Å²	17	37.7 Å²	37.7	10%	0.104	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	123.4	174.3	-49.6	0	0	0	0	110.1	E594 A596 Y664 C665 K666 K678	E594-T675 WeakPolarHBondContact OE1-CB 3.2Å; E594-T675 PolarHBondContact OE1-OG1 2.84Å; A596-T675 HydrophobicContact CB-CG2 4.33Å; Y664-T675 HydrophobicContact CD1-CG2 4.23Å; C665-T675 CarbonylContact O-C 3.49Å; K666-T675 WeakPolarHBondContact CE-OG1 3.46Å; T675-K678 HydrophobicContact CG2-CG 4.12Å
676	I	84.8	Confident	87.7	Confident	49 Å²	49	40.8 Å²	40.8	25%	0.251	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-50.2	176.2	-64.4	167	0	0	0	110.4	P615 I622 C665 A667	P615-I676 HydrophobicContact CB-CD1 3.98Å; I622-I676 HydrophobicContact CD1-CD1 3.55Å; C665-I676 PolarHBondContact O-N 2.96Å; A667-I676 HydrophobicContact CB-CD1 3.34Å; A667-I676 HydrophobicContact CB-CG1 3.83Å
677	V	88.2	Confident	86.6	Confident	10 Å²	10	45.1 Å²	45.1	6%	0.061	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	146.3	-175.2	69.8	0	0	0	0	110.8	D597 K599 C613 C665 L679	D597-V677 VanDerWaalsContact O-CG2 3.3Å; D597-V677 WeakPolarHBondContact O-CG2 3.49Å; K599-V677 HydrophobicContact CD-CG2 4.49Å; C613-V677 HydrophobicContact CB-CG1 4.06Å; C665-V677 HydrophobicContact CB-CG1 3.57Å; C665-V677 PolarHBondContact N-O 2.9Å; V677-L679 HydrophobicContact CG1-CD1 4.28Å; V677-L679 HydrophobicContact CG1-CD2 4.37Å; V677-L679 HydrophobicContact CG1-CG 4.12Å; V677-L679 HydrophobicContact CG2-CD2 3.62Å; V677-L679 HydrophobicContact CG2-CG 4.14Å
678	K	91.6	Very high	85.4	Confident	35 Å²	35	50 Å²	50	15%	0.152	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	124.5	169.9	-65.1	178.8	-175.2	175.3	0	108.8	E594 A596 D597 E598 K599 Y663 Y664 T675	E594-K678 WeakPolarHBondContact OE2-CE 3.47Å; E594-K678 IonicContact OE2-NZ 2.99Å; E594-K678 PolarHBondContact OE2-NZ 2.93Å; A596-K678 HydrophobicContact CB-CD 4.35Å; A596-K678 HydrophobicContact CB-CG 4.1Å; D597-K678 PolarHBondContact O-N 3.01Å; D597-K678 VanDerWaalsContact O-O 3.13Å; E598-K678 WeakPolarHBondContact CA-O 3.17Å; K599-K678 PolarHBondContact N-O 2.94Å; Y663-K678 WeakPolarHBondContact O-CA 3.39Å; Y664-K678 HydrophobicContact CD1-CD 4.44Å; Y664-K678 HydrophobicContact CD1-CG 4Å; Y664-K678 HydrophobicContact CE1-CD 4.13Å; Y664-K678 HydrophobicContact CE1-CG 4.15Å; T675-K678 HydrophobicContact CG2-CG 4.12Å
679	L	93.2	Very high	84.1	Confident	3 Å²	3	51 Å²	51	2%	0.016	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	115.5	-177.2	-56.6	175.5	0	0	0	109.5	K599 I601 L611 W624 Y663 V677	K599-L679 HydrophobicContact CB-CD2 3.71Å; K599-L679 HydrophobicContact CD-CD2 4.12Å; K599-L679 HydrophobicContact CG-CD2 4.25Å; K599-L679 CarbonylContact O-C 3.57Å; K599-L679 WeakPolarHBondContact O-CA 3.48Å; I601-L679 HydrophobicContact CD1-CB 4.32Å; I601-L679 HydrophobicContact CD1-CD1 4.15Å; I601-L679 HydrophobicContact CD1-CD2 3.97Å; I601-L679 HydrophobicContact CD1-CG 4.38Å; L611-L679 HydrophobicContact CB-CD1 3.69Å; L611-L679 HydrophobicContact CD2-CD1 4.44Å; L611-L679 HydrophobicContact CG-CD1 4.47Å; W624-L679 HydrophobicContact CH2-CD1 3.78Å; W624-L679 HydrophobicContact CZ3-CD1 4Å; Y663-L679 PolarHBondContact N-O 2.89Å; Y663-L679 PolarHBondContact O-N 3.14Å; V677-L679 HydrophobicContact CG1-CD1 4.28Å; V677-L679 HydrophobicContact CG1-CD2 4.37Å; V677-L679 HydrophobicContact CG1-CG 4.12Å; V677-L679 HydrophobicContact CG2-CD2 3.62Å; V677-L679 HydrophobicContact CG2-CG 4.14Å
680	T	94.3	Very high	82.7	Confident	25 Å²	25	55.1 Å²	55.1	15%	0.153	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	107.1	174.9	-59.6	0	0	0	0	108.3	E598 K599 V600 I601	E598-T680 PolarHBondContact OE1-OG1 2.85Å; K599-T680 PolarHBondContact O-N 2.93Å; V600-T680 CarbonylContact C-O 3.38Å; V600-T680 WeakPolarHBondContact CA-O 3.36Å; I601-T680 PolarHBondContact N-O 2.9Å
681	L	93.9	Very high	81.5	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	115.7	-178.7	178.5	61	0	0	0	110	I601 T609 L611 I652 L655 S660 G661 Y663 V683	I601-L681 HydrophobicContact CB-CD1 4.3Å; I601-L681 HydrophobicContact CG2-CD1 4Å; I601-L681 WeakPolarHBondContact O-CA 3.14Å; T609-L681 HydrophobicContact CG2-CD1 4.22Å; L611-L681 HydrophobicContact CD2-CD1 4.43Å; I652-L681 HydrophobicContact CD1-CD2 3.99Å; L655-L681 HydrophobicContact CD2-CD2 4.02Å; L655-L681 HydrophobicContact CD2-CG 4.47Å; S660-L681 WeakPolarHBondContact CA-O 3.46Å; S660-L681 PolarHBondContact OG-O 2.66Å; G661-L681 PolarHBondContact N-O 2.85Å; G661-L681 VanDerWaalsContact N-O 3.1Å; G661-L681 PolarHBondContact O-N 3.26Å; Y663-L681 HydrophobicContact CD2-CB 3.94Å; Y663-L681 HydrophobicContact CD2-CD2 4.45Å; Y663-L681 HydrophobicContact CE2-CB 3.69Å; Y663-L681 HydrophobicContact CE2-CD2 3.63Å; Y663-L681 HydrophobicContact CE2-CG 4.31Å; L681-V683 HydrophobicContact CG-CG2 4.49Å
682	N	93.1	Very high	80.2	Confident	58 Å²	58	52.8 Å²	52.8	31%	0.31	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	121.7	174.3	-67.8	-31.4	0	0	0	109.6	I601 F602 G603	I601-N682 PolarHBondContact O-N 3.26Å; F602-N682 WeakPolarHBondContact CA-O 3.31Å; F602-N682 HydrophobicContact CD1-CB 3.7Å; F602-N682 HydrophobicContact CE1-CB 3.8Å; G603-N682 PolarHBondContact N-O 3.01Å
683	V	92.1	Very high	78.7	Confident	24 Å²	24	55 Å²	55	15%	0.145	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	120.3	179.1	-171.2	0	0	0	0	109.7	G603 E605 L655 L681	G603-V683 CarbonylContact O-C 3.5Å; G603-V683 WeakPolarHBondContact O-CA 3.42Å; E605-V683 HydrophobicContact CB-CG1 4.34Å; L655-V683 HydrophobicContact CD2-CB 4.41Å; L655-V683 HydrophobicContact CD2-CG1 4.14Å; L655-V683 HydrophobicContact CD2-CG2 3.52Å; L681-V683 HydrophobicContact CG-CG2 4.49Å
684	I	89.4	Confident	77	Confident	55 Å²	55	59.1 Å²	59.1	28%	0.282	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	123.2	175.7	-56.8	172.6	0	0	0	108	F602 G603 E605 M689	F602-I684 HydrophobicContact CB-CD1 4.2Å; F602-I684 HydrophobicContact CD1-CD1 4.12Å; F602-I684 HydrophobicContact CD1-CG1 4.4Å; G603-I684 PolarHBondContact O-N 2.95Å; E605-I684 PolarHBondContact N-O 2.88Å; I684-M689 HydrophobicContact CG2-CG 4.27Å
685	E	85.4	Confident	75.3	Confident	49 Å²	49	59.5 Å²	59.5	23%	0.229	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-64.7	139.2	177.4	-67.1	176.8	175.8	0	0	110.3	K657 E687 Q688	K657-E685 WeakPolarHBondContact CD-OE1 3.28Å; K657-E685 VanDerWaalsContact CE-OE1 3.28Å; K657-E685 WeakPolarHBondContact CE-OE1 3.41Å; K657-E685 IonicContact NZ-OE1 2.96Å; K657-E685 PolarHBondContact NZ-OE1 3.29Å; E685-E687 PolarHBondContact O-N 3.45Å; E685-Q688 HydrophobicContact CB-CG 4.16Å; E685-Q688 PolarHBondContact O-N 2.86Å; E685-Q688 VanDerWaalsContact O-N 3.14Å
686	N	75.9	Confident	73.5	Confident	64 Å²	64	65.8 Å²	65.8	34%	0.342	33%	0.329	S	S	.	.	H	α-helix	trans	-62.5	-32.5	-176.9	-163.3	35.4	0	0	0	112	F606 Q688 M689 E690	F606-N686 HydrophobicContact CD2-CB 4.43Å; N686-Q688 PolarHBondContact O-N 2.98Å; N686-M689 WeakPolarHBondContact O-CB 3.48Å; N686-M689 PolarHBondContact O-N 2.93Å; N686-E690 PolarHBondContact O-N 3.31Å
687	E	68.9	Low	71.7	Confident	138 Å²	138	71.5 Å²	71.5	65%	0.645	36%	0.355	S	S	*	.	H	α-helix	trans	-65.8	-32.8	177.2	-64.9	-173	174.3	0	0	113.4	E685 M689 E690 N691	E685-E687 PolarHBondContact O-N 3.45Å; E687-M689 VanDerWaalsContact C-N 3.32Å; E687-E690 PolarHBondContact O-N 3.25Å; E687-N691 WeakPolarHBondContact O-CB 3.43Å; E687-N691 PolarHBondContact O-N 2.74Å
688	Q	63.3	Low	69.8	Low	104 Å²	104	79.5 Å²	79.5	49%	0.486	39%	0.391	S	S	.	.	H	α-helix	trans	-69	-33.9	177.9	-68.9	-176.8	-17.6	0	0	111.4	E685 N686 T692	E685-Q688 HydrophobicContact CB-CG 4.16Å; E685-Q688 PolarHBondContact O-N 2.86Å; E685-Q688 VanDerWaalsContact O-N 3.14Å; N686-Q688 PolarHBondContact O-N 2.98Å; Q688-T692 WeakPolarHBondContact O-CB 3.46Å; Q688-T692 PolarHBondContact O-N 3.08Å; Q688-T692 PolarHBondContact O-OG1 3.36Å
689	M	59.4	Low	67.6	Low	68 Å²	68	86.2 Å²	86.2	34%	0.335	42%	0.423	S	S	.	.	H	α-helix	trans	-68.7	-41.7	172.4	-90.4	-75.4	-60.9	0	0	112.2	I684 N686 E687 N691 T692 Q693	I684-M689 HydrophobicContact CG2-CG 4.27Å; N686-M689 WeakPolarHBondContact O-CB 3.48Å; N686-M689 PolarHBondContact O-N 2.93Å; E687-M689 VanDerWaalsContact C-N 3.32Å; M689-N691 VanDerWaalsContact C-N 3.35Å; M689-T692 PolarHBondContact O-N 2.97Å; M689-Q693 WeakPolarHBondContact O-CB 3.47Å; M689-Q693 WeakPolarHBondContact O-CG 3.33Å; M689-Q693 PolarHBondContact O-N 3.48Å
690	E	58.4	Low	65	Low	93 Å²	93	89.2 Å²	89.2	44%	0.435	46%	0.456	S	S	.	.	H	α-helix	trans	-65.4	-38	175.6	-70.2	-172	175.7	0	0	111.9	N686 E687 R694	N686-E690 PolarHBondContact O-N 3.31Å; E687-E690 PolarHBondContact O-N 3.25Å; E690-R694 WeakPolarHBondContact O-CB 3.28Å; E690-R694 VanDerWaalsContact O-CG 3.29Å; E690-R694 WeakPolarHBondContact O-CG 3.48Å; E690-R694 PolarHBondContact O-N 3.04Å
691	N	56.2	Low	62.7	Low	92 Å²	92	97.6 Å²	97.6	49%	0.492	49%	0.493	S	S	.	.	H	α-helix	trans	-73.8	-33.7	176	-76.4	-22	0	0	0	113.3	E687 M689 R694 A695	E687-N691 WeakPolarHBondContact O-CB 3.43Å; E687-N691 PolarHBondContact O-N 2.74Å; M689-N691 VanDerWaalsContact C-N 3.35Å; N691-R694 PolarHBondContact O-N 3.05Å; N691-A695 VanDerWaalsContact O-CB 3.28Å; N691-A695 WeakPolarHBondContact O-CB 3.33Å; N691-A695 PolarHBondContact O-N 2.82Å
692	T	54.5	Low	60.4	Low	78 Å²	78	103.8 Å²	103.8	48%	0.479	53%	0.53	S	S	.	.	H	α-helix	trans	-69.2	-36.6	173.6	-45.4	0	0	0	0	110.8	Q688 M689 R694 A695 E696	Q688-T692 WeakPolarHBondContact O-CB 3.46Å; Q688-T692 PolarHBondContact O-N 3.08Å; Q688-T692 PolarHBondContact O-OG1 3.36Å; M689-T692 PolarHBondContact O-N 2.97Å; T692-R694 VanDerWaalsContact C-N 3.35Å; T692-A695 PolarHBondContact O-N 2.73Å; T692-E696 WeakPolarHBondContact O-CB 3.36Å; T692-E696 WeakPolarHBondContact O-CG 3.38Å; T692-E696 PolarHBondContact O-N 3.08Å
693	Q	53.1	Low	57.8	Low	68 Å²	68	109.7 Å²	109.7	32%	0.318	55%	0.553	S	S	.	*	H	α-helix	trans	-68.5	-30.7	171.2	-72.7	-179	28.9	0	0	113.2	M689 H697	M689-Q693 WeakPolarHBondContact O-CB 3.47Å; M689-Q693 WeakPolarHBondContact O-CG 3.33Å; M689-Q693 PolarHBondContact O-N 3.48Å; Q693-H697 PolarHBondContact O-CD2 2.97Å; Q693-H697 PolarHBondContact O-N 3.27Å
694	R	49.7	Very low	55.6	Low	160 Å²	160	115.3 Å²	115.3	60%	0.604	58%	0.582	S	S	*	*	H	α-helix	trans	-75.7	-37.4	172.8	-75.3	174.6	-177.8	173.5	5.3	112.4	E690 N691 T692 H697 E698	E690-R694 WeakPolarHBondContact O-CB 3.28Å; E690-R694 VanDerWaalsContact O-CG 3.29Å; E690-R694 WeakPolarHBondContact O-CG 3.48Å; E690-R694 PolarHBondContact O-N 3.04Å; N691-R694 PolarHBondContact O-N 3.05Å; T692-R694 VanDerWaalsContact C-N 3.35Å; R694-H697 WeakPolarHBondContact O-CA 3.05Å; R694-H697 WeakPolarHBondContact O-CB 3.48Å; R694-H697 PolarHBondContact O-N 3.45Å; R694-H697 VanDerWaalsContact O-N 3.12Å; R694-E698 PolarHBondContact O-N 2.74Å
695	A	48.5	Very low	53.5	Low	59 Å²	59	119.1 Å²	119.1	49%	0.488	60%	0.603	S	S	.	*	H	α-helix	trans	-69.4	-38.6	176.5	0	0	0	0	0	112.4	N691 T692 H697 E698 E699	N691-A695 VanDerWaalsContact O-CB 3.28Å; N691-A695 WeakPolarHBondContact O-CB 3.33Å; N691-A695 PolarHBondContact O-N 2.82Å; T692-A695 PolarHBondContact O-N 2.73Å; A695-H697 PolarHBondContact O-N 2.97Å; A695-E698 PolarHBondContact O-N 2.84Å; A695-E699 PolarHBondContact O-N 3.25Å
696	E	48.5	Very low	51.5	Low	149 Å²	149	123.1 Å²	123.1	70%	0.696	63%	0.625	S	S	*	*	H	α-helix	trans	-65.7	-18.6	169.6	-75.2	-176.3	165.5	0	0	113	T692	T692-E696 WeakPolarHBondContact O-CB 3.36Å; T692-E696 WeakPolarHBondContact O-CG 3.38Å; T692-E696 PolarHBondContact O-N 3.08Å
697	H	47.9	Very low	49.9	Very low	170 Å²	170	122.9 Å²	122.9	79%	0.787	63%	0.632	S	S	*	*	H	α-helix	trans	-87.2	-17.5	175.7	-105	-67.5	0	0	0	113.8	Q693 R694 A695	Q693-H697 PolarHBondContact O-CD2 2.97Å; Q693-H697 PolarHBondContact O-N 3.27Å; R694-H697 WeakPolarHBondContact O-CA 3.05Å; R694-H697 WeakPolarHBondContact O-CB 3.48Å; R694-H697 PolarHBondContact O-N 3.45Å; R694-H697 VanDerWaalsContact O-N 3.12Å; A695-H697 PolarHBondContact O-N 2.97Å
698	E	47.4	Very low	48.7	Very low	177 Å²	177	120.7 Å²	120.7	83%	0.827	62%	0.622	S	S	*	*	H	α-helix	trans	-101.5	-16.4	-179.6	-73.4	-170.5	159.4	0	0	113.9	R694 A695	R694-E698 PolarHBondContact O-N 2.74Å; A695-E698 PolarHBondContact O-N 2.84Å
699	E	47.1	Very low	47.9	Very low	176 Å²	176	118.7 Å²	118.7	82%	0.822	62%	0.619	S	S	*	*	S	Bend	trans	-115.4	91.2	171.4	-74.3	-168.4	160	0	0	112.8	A695	A695-E699 PolarHBondContact O-N 3.25Å
700	G	38.1	Very low	47.4	Very low	67 Å²	67	123 Å²	123	69%	0.691	63%	0.631	S	S	*	*			trans	106.8	98.3	150.2	0	0	0	0	0	116.8	V702	G700-V702 PolarHBondContact O-N 3.05Å
701	Q	46.6	Very low	46.9	Very low	201 Å²	201	124 Å²	124	94%	0.939	64%	0.639	S	S	*	*			trans	-53.9	103.5	146.9	-79.8	177.9	-22.2	0	0	109.1
702	V	45.1	Very low	46.6	Very low	130 Å²	130	124 Å²	124	79%	0.788	63%	0.633	S	S	*	*			trans	168.4	98.8	131.5	170.7	0	0	0	0	107.5	G700	G700-V702 PolarHBondContact O-N 3.05Å
703	K	37.7	Very low	46.5	Very low	181 Å²	181	127.7 Å²	127.7	79%	0.787	64%	0.639	S	S	*	*			trans	-176.2	98.8	134.5	-102.4	171.5	-172.7	177.4	0	111.4	L705	K703-L705 PolarHBondContact O-N 2.78Å
704	D	46.5	Very low	46.4	Very low	142 Å²	142	131.7 Å²	131.7	76%	0.759	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	51.1	-180	-146.2	4.8	0	0	0	112.8
705	L	45.2	Very low	46.4	Very low	135 Å²	135	128.3 Å²	128.3	71%	0.707	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.1	-16.9	-178.6	-74.7	167.8	0	0	0	114.8	K703	K703-L705 PolarHBondContact O-N 2.78Å
706	L	43.5	Very low	46.5	Very low	134 Å²	134	129.7 Å²	129.7	70%	0.702	64%	0.642	S	S	*	*	S	Bend	trans	-92.9	-29.3	177.9	-91.5	147	0	0	0	113.1	E708 S709 R710	L706-E708 VanDerWaalsContact C-N 3.34Å; L706-E708 PolarHBondContact O-N 2.67Å; L706-S709 PolarHBondContact O-N 2.83Å; L706-S709 VanDerWaalsContact O-N 3.11Å; L706-S709 PolarHBondContact O-OG 2.95Å; L706-R710 PolarHBondContact O-N 2.92Å
707	A	42.4	Very low	46.8	Very low	58 Å²	58	126.6 Å²	126.6	48%	0.479	63%	0.63	S	S	.	*	H	α-helix	trans	-64.7	-35.4	176.6	0	0	0	0	0	112.6	S709 L711	A707-S709 VanDerWaalsContact C-N 3.26Å; A707-S709 PolarHBondContact O-N 3.38Å; A707-L711 PolarHBondContact O-N 2.86Å
708	E	43	Very low	47.1	Very low	93 Å²	93	124.6 Å²	124.6	44%	0.435	62%	0.621	S	S	.	*	H	α-helix	trans	-64.8	-26.5	172.9	-87.7	-162.9	172.6	0	0	113	L706 R712	L706-E708 VanDerWaalsContact C-N 3.34Å; L706-E708 PolarHBondContact O-N 2.67Å; E708-R712 WeakPolarHBondContact O-CB 3.42Å; E708-R712 WeakPolarHBondContact O-CG 3.47Å; E708-R712 PolarHBondContact O-N 2.82Å; E708-R712 IonicContact OE2-CZ 2.72Å; E708-R712 IonicContact OE2-NH2 3.95Å; E708-R712 PolarHBondContact OE2-NH2 2.91Å
709	S	47.3	Very low	47.4	Very low	62 Å²	62	119.3 Å²	119.3	43%	0.434	60%	0.597	S	S	.	*	H	α-helix	trans	-79.7	-36	-178	83.6	0	0	0	0	112.8	L706 A707 R712 Y713	L706-S709 PolarHBondContact O-N 2.83Å; L706-S709 VanDerWaalsContact O-N 3.11Å; L706-S709 PolarHBondContact O-OG 2.95Å; A707-S709 VanDerWaalsContact C-N 3.26Å; A707-S709 PolarHBondContact O-N 3.38Å; S709-R712 PolarHBondContact O-N 3.49Å; S709-Y713 PolarHBondContact O-N 3.1Å; S709-Y713 VanDerWaalsContact O-N 3.09Å
710	R	47.7	Very low	47.5	Very low	157 Å²	157	115.7 Å²	115.7	59%	0.592	58%	0.583	S	S	*	*	H	α-helix	trans	-72.3	-34.8	176.9	-89.4	-179.8	165.8	176.8	-6.6	112.6	L706 K714	L706-R710 PolarHBondContact O-N 2.92Å; R710-K714 PolarHBondContact O-N 2.74Å
711	L	48.7	Very low	48.1	Very low	114 Å²	114	116.8 Å²	116.8	60%	0.597	58%	0.58	S	S	*	*	H	α-helix	trans	-67.1	-40.9	171.3	-79.1	155.9	0	0	0	111.3	A707 Y713 K714 D715	A707-L711 PolarHBondContact O-N 2.86Å; L711-Y713 PolarHBondContact O-N 2.81Å; L711-K714 PolarHBondContact O-N 3.17Å; L711-D715 PolarHBondContact O-N 2.74Å
712	R	49.6	Very low	48.2	Very low	94 Å²	94	110.3 Å²	110.3	36%	0.355	56%	0.557	S	S	.	*	H	α-helix	trans	-65.1	-32.4	176.1	-76.5	177.1	-155.7	-161.6	9.3	114.3	E708 S709 Y716	E708-R712 WeakPolarHBondContact O-CB 3.42Å; E708-R712 WeakPolarHBondContact O-CG 3.47Å; E708-R712 PolarHBondContact O-N 2.82Å; E708-R712 IonicContact OE2-CZ 2.72Å; E708-R712 IonicContact OE2-NH2 3.95Å; E708-R712 PolarHBondContact OE2-NH2 2.91Å; S709-R712 PolarHBondContact O-N 3.49Å; R712-Y716 VanDerWaalsContact O-CB 3.27Å; R712-Y716 WeakPolarHBondContact O-CB 3.39Å; R712-Y716 PolarHBondContact O-N 2.83Å
713	Y	52.1	Low	48.4	Very low	154 Å²	154	110.1 Å²	110.1	60%	0.604	56%	0.559	S	S	*	*	H	α-helix	trans	-72.3	-37.3	176.8	-170.3	-98.2	0	0	0	112	S709 L711 Y716 I717	S709-Y713 PolarHBondContact O-N 3.1Å; S709-Y713 VanDerWaalsContact O-N 3.09Å; L711-Y713 PolarHBondContact O-N 2.81Å; Y713-Y716 WeakPolarHBondContact O-CB 3.06Å; Y713-Y716 PolarHBondContact O-N 3.15Å; Y713-I717 HydrophobicContact CD1-CG1 4.37Å; Y713-I717 HydrophobicContact CE1-CD1 4.5Å; Y713-I717 HydrophobicContact CE1-CG1 4.07Å; Y713-I717 WeakPolarHBondContact O-CG1 3.46Å; Y713-I717 PolarHBondContact O-N 2.85Å; Y713-I717 VanDerWaalsContact O-N 3.08Å
714	K	51.3	Low	49.1	Very low	153 Å²	153	109 Å²	109	67%	0.665	56%	0.561	S	S	*	*	H	α-helix	trans	-66	-42.1	172	-79.2	-172.6	172	-176.8	0	111.9	R710 L711 Y716 I717 Q718	R710-K714 PolarHBondContact O-N 2.74Å; L711-K714 PolarHBondContact O-N 3.17Å; K714-Y716 VanDerWaalsContact C-N 3.3Å; K714-Y716 PolarHBondContact O-N 2.86Å; K714-I717 PolarHBondContact O-N 2.9Å; K714-Q718 WeakPolarHBondContact O-CB 3.47Å; K714-Q718 PolarHBondContact O-N 2.87Å
715	D	50.2	Low	49.4	Very low	88 Å²	88	107 Å²	107	47%	0.471	55%	0.546	S	S	.	.	H	α-helix	trans	-62.9	-37	173.9	-69.3	-21.4	0	0	0	111.8	L711 Q718 I719	L711-D715 PolarHBondContact O-N 2.74Å; D715-Q718 PolarHBondContact O-N 3.1Å; D715-I719 WeakPolarHBondContact O-CB 3.36Å; D715-I719 WeakPolarHBondContact O-CD1 3.34Å; D715-I719 WeakPolarHBondContact O-CG1 3.49Å; D715-I719 PolarHBondContact O-N 2.99Å
716	Y	50.5	Low	50.1	Low	88 Å²	88	103.3 Å²	103.3	35%	0.345	53%	0.531	S	S	.	.	H	α-helix	trans	-64.6	-43.9	177.2	-173.8	-99.9	0	0	0	112.8	R712 Y713 K714 I719 L720 Y730	R712-Y716 VanDerWaalsContact O-CB 3.27Å; R712-Y716 WeakPolarHBondContact O-CB 3.39Å; R712-Y716 PolarHBondContact O-N 2.83Å; Y713-Y716 WeakPolarHBondContact O-CB 3.06Å; Y713-Y716 PolarHBondContact O-N 3.15Å; K714-Y716 VanDerWaalsContact C-N 3.3Å; K714-Y716 PolarHBondContact O-N 2.86Å; Y716-I719 PolarHBondContact O-N 2.86Å; Y716-L720 HydrophobicContact CD1-CD1 3.76Å; Y716-L720 HydrophobicContact CE1-CD1 3.45Å; Y716-L720 VanDerWaalsContact CE1-CD1 3.45Å; Y716-L720 HydrophobicContact CE1-CG 4.5Å; Y716-L720 WeakPolarHBondContact O-CG 3.48Å; Y716-L720 PolarHBondContact O-N 3.38Å; Y716-L720 VanDerWaalsContact O-N 3.12Å; Y716-Y730 HydrophobicContact CD2-CE1 4.38Å; Y716-Y730 HydrophobicContact CE2-CE1 4.36Å
717	I	55.5	Low	50.4	Low	85 Å²	85	101.7 Å²	101.7	44%	0.436	52%	0.523	S	S	.	.	H	α-helix	trans	-68.3	-36.4	176.1	-65.5	-65.7	0	0	0	111.4	Y713 K714 L720 S721	Y713-I717 HydrophobicContact CD1-CG1 4.37Å; Y713-I717 HydrophobicContact CE1-CD1 4.5Å; Y713-I717 HydrophobicContact CE1-CG1 4.07Å; Y713-I717 WeakPolarHBondContact O-CG1 3.46Å; Y713-I717 PolarHBondContact O-N 2.85Å; Y713-I717 VanDerWaalsContact O-N 3.08Å; K714-I717 PolarHBondContact O-N 2.9Å; I717-L720 PolarHBondContact O-N 3.44Å; I717-S721 PolarHBondContact O-N 3.21Å; I717-S721 PolarHBondContact O-OG 2.77Å
718	Q	54.2	Low	51	Low	128 Å²	128	105.1 Å²	105.1	60%	0.598	53%	0.533	S	S	*	.	H	α-helix	trans	-71.6	-31.2	179.5	-157.8	159.5	-0.7	0	0	112.4	K714 D715 S721 S722	K714-Q718 WeakPolarHBondContact O-CB 3.47Å; K714-Q718 PolarHBondContact O-N 2.87Å; D715-Q718 PolarHBondContact O-N 3.1Å; Q718-S721 PolarHBondContact O-OG 3.41Å; Q718-S722 PolarHBondContact O-OG 2.88Å
719	I	54	Low	51.7	Low	65 Å²	65	106.2 Å²	106.2	33%	0.333	54%	0.538	S	S	.	.	H	α-helix	trans	-74.9	-38.8	174.1	-67.8	164.8	0	0	0	111.8	D715 Y716 S721 S722 F725	D715-I719 WeakPolarHBondContact O-CB 3.36Å; D715-I719 WeakPolarHBondContact O-CD1 3.34Å; D715-I719 WeakPolarHBondContact O-CG1 3.49Å; D715-I719 PolarHBondContact O-N 2.99Å; Y716-I719 PolarHBondContact O-N 2.86Å; I719-S721 PolarHBondContact O-N 2.8Å; I719-S722 WeakPolarHBondContact O-CB 3.48Å; I719-S722 PolarHBondContact O-N 3.21Å; I719-S722 VanDerWaalsContact O-N 3.09Å; I719-F725 HydrophobicContact CG2-CB 4.02Å; I719-F725 HydrophobicContact CG2-CD1 3.68Å; I719-F725 HydrophobicContact CG2-CE1 4.42Å; I719-F725 HydrophobicContact CG2-CG 3.99Å
720	L	47.4	Very low	52.2	Low	100 Å²	100	106.4 Å²	106.4	52%	0.524	53%	0.53	S	S	.	.	H	α-helix	trans	-64	-23	174.4	-77.9	166.4	0	0	0	113.4	Y716 I717	Y716-L720 HydrophobicContact CD1-CD1 3.76Å; Y716-L720 HydrophobicContact CE1-CD1 3.45Å; Y716-L720 VanDerWaalsContact CE1-CD1 3.45Å; Y716-L720 HydrophobicContact CE1-CG 4.5Å; Y716-L720 WeakPolarHBondContact O-CG 3.48Å; Y716-L720 PolarHBondContact O-N 3.38Å; Y716-L720 VanDerWaalsContact O-N 3.12Å; I717-L720 PolarHBondContact O-N 3.44Å
721	S	51.1	Low	52.7	Low	90 Å²	90	102.6 Å²	102.6	63%	0.629	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-3.5	175.3	66.6	0	0	0	0	114.5	I717 Q718 I719	I717-S721 PolarHBondContact O-N 3.21Å; I717-S721 PolarHBondContact O-OG 2.77Å; Q718-S721 PolarHBondContact O-OG 3.41Å; I719-S721 PolarHBondContact O-N 2.8Å
722	S	48.9	Very low	53.3	Low	65 Å²	65	102.8 Å²	102.8	46%	0.455	52%	0.524	S	S	.	.	S	Bend	trans	-98.1	128.3	-179.7	-62.9	0	0	0	0	111	Q718 I719 N724	Q718-S722 PolarHBondContact O-OG 2.88Å; I719-S722 WeakPolarHBondContact O-CB 3.48Å; I719-S722 PolarHBondContact O-N 3.21Å; I719-S722 VanDerWaalsContact O-N 3.09Å; S722-N724 PolarHBondContact O-N 2.89Å
723	P	50	Low	53.7	Low	127 Å²	127	104.4 Å²	104.4	83%	0.825	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-2	-166.3	24.9	-32.9	0	0	0	116.4
724	N	51.6	Low	53.6	Low	156 Å²	156	99.8 Å²	99.8	83%	0.834	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.8	19.1	-168.4	-76.3	-10.3	0	0	0	115.5	S722	S722-N724 PolarHBondContact O-N 2.89Å
725	F	53.2	Low	53.4	Low	100 Å²	100	100.8 Å²	100.8	44%	0.439	52%	0.52	S	S	.	.			trans	-120.7	121.8	-178.4	-142.5	-96.8	0	0	0	111.7	I719	I719-F725 HydrophobicContact CG2-CB 4.02Å; I719-F725 HydrophobicContact CG2-CD1 3.68Å; I719-F725 HydrophobicContact CG2-CE1 4.42Å; I719-F725 HydrophobicContact CG2-CG 3.99Å
726	S	60.1	Low	53.5	Low	58 Å²	58	102 Å²	102	41%	0.406	52%	0.523	S	S	.	.			trans	-91.9	143.3	178.8	92.3	0	0	0	0	112	D728 Q729	S726-D728 PolarHBondContact O-N 2.85Å; S726-Q729 PolarHBondContact O-N 3.34Å
727	L	50.5	Low	53.5	Low	101 Å²	101	106.1 Å²	106.1	53%	0.529	54%	0.538	S	S	.	.	H	α-helix	trans	-57.6	-30.8	179.9	-95.8	140.5	0	0	0	113.2	Y730 C731	L727-Y730 PolarHBondContact O-N 3.14Å; L727-C731 PolarHBondContact O-N 3.28Å
728	D	54.9	Low	53.2	Low	129 Å²	129	107.1 Å²	107.1	69%	0.69	54%	0.541	S	S	*	.	H	α-helix	trans	-68.7	-36.5	-177.6	-65.8	-36.1	0	0	0	112.8	S726 Y730 C731 E732	S726-D728 PolarHBondContact O-N 2.85Å; D728-Y730 VanDerWaalsContact C-N 3.29Å; D728-Y730 PolarHBondContact O-N 2.84Å; D728-C731 PolarHBondContact O-N 2.05Å; D728-E732 PolarHBondContact O-N 3.34Å
729	Q	57.3	Low	52.9	Low	117 Å²	117	107.4 Å²	107.4	55%	0.547	54%	0.54	S	S	.	.	H	α-helix	trans	-68.4	-29.4	177.4	-80.1	-176.6	-17.6	0	0	112.7	S726 Q733	S726-Q729 PolarHBondContact O-N 3.34Å; Q729-Q733 PolarHBondContact O-N 3.35Å
730	Y	58.3	Low	52.5	Low	65 Å²	65	113.9 Å²	113.9	26%	0.255	56%	0.56	S	S	.	*	H	α-helix	trans	-72.2	-42.2	176.8	-179.7	-100.3	0	0	0	111.9	Y716 L727 D728 E732 Q733 M734	Y716-Y730 HydrophobicContact CD2-CE1 4.38Å; Y716-Y730 HydrophobicContact CE2-CE1 4.36Å; L727-Y730 PolarHBondContact O-N 3.14Å; D728-Y730 VanDerWaalsContact C-N 3.29Å; D728-Y730 PolarHBondContact O-N 2.84Å; Y730-E732 PolarHBondContact O-N 3.43Å; Y730-Q733 PolarHBondContact O-N 3.27Å; Y730-M734 HydrophobicContact CD1-CG 4.37Å; Y730-M734 HydrophobicContact CE1-CG 3.97Å; Y730-M734 HydrophobicContact CE2-CG 4.45Å; Y730-M734 WeakPolarHBondContact O-CG 3.3Å; Y730-M734 PolarHBondContact O-N 2.95Å
731	C	56.7	Low	52.4	Low	77 Å²	77	116.1 Å²	116.1	52%	0.52	56%	0.562	S	S	.	*	H	α-helix	trans	-62.8	-41.4	176.9	-73.5	0	0	0	0	112.3	L727 D728 M734 W735	L727-C731 PolarHBondContact O-N 3.28Å; D728-C731 PolarHBondContact O-N 2.05Å; C731-M734 PolarHBondContact O-N 3.16Å; C731-W735 WeakPolarHBondContact O-CB 3.33Å; C731-W735 PolarHBondContact O-N 3.5Å
732	E	61.3	Low	52.4	Low	118 Å²	118	119.1 Å²	119.1	55%	0.551	57%	0.566	S	S	*	*	H	α-helix	trans	-61.5	-44.8	174.6	-84.3	-75.6	159	0	0	112.3	D728 Y730 M734 W735 H736	D728-E732 PolarHBondContact O-N 3.34Å; Y730-E732 PolarHBondContact O-N 3.43Å; E732-M734 PolarHBondContact O-N 3.32Å; E732-W735 PolarHBondContact O-N 3.25Å; E732-H736 PolarHBondContact O-CD2 2.96Å; E732-H736 VanDerWaalsContact O-CD2 3.29Å; E732-H736 PolarHBondContact O-N 3.35Å; E732-H736 IonicContact OE2-CD2 3.83Å; E732-H736 IonicContact OE2-NE2 2.74Å
733	Q	59.2	Low	52.3	Low	128 Å²	128	126.6 Å²	126.6	60%	0.598	58%	0.584	S	S	*	*	H	α-helix	trans	-64.9	-38.5	177.1	-85.4	-172.8	-8.7	0	0	113	Q729 Y730 H736 R737	Q729-Q733 PolarHBondContact O-N 3.35Å; Y730-Q733 PolarHBondContact O-N 3.27Å; Q733-H736 PolarHBondContact O-N 3.07Å; Q733-R737 PolarHBondContact O-N 3.31Å; Q733-R737 VanDerWaalsContact O-N 3.08Å
734	M	49.8	Very low	51.9	Low	58 Å²	58	127.7 Å²	127.7	29%	0.286	58%	0.583	S	S	.	*	H	α-helix	trans	-65.2	-43.7	176.2	-77.5	-66.4	-70.4	0	0	111.3	Y730 C731 E732 H736 R737 E738	Y730-M734 HydrophobicContact CD1-CG 4.37Å; Y730-M734 HydrophobicContact CE1-CG 3.97Å; Y730-M734 HydrophobicContact CE2-CG 4.45Å; Y730-M734 WeakPolarHBondContact O-CG 3.3Å; Y730-M734 PolarHBondContact O-N 2.95Å; C731-M734 PolarHBondContact O-N 3.16Å; E732-M734 PolarHBondContact O-N 3.32Å; M734-H736 VanDerWaalsContact C-N 3.33Å; M734-H736 PolarHBondContact O-N 2.75Å; M734-R737 PolarHBondContact O-N 3.26Å; M734-R737 VanDerWaalsContact O-N 3.12Å; M734-E738 PolarHBondContact O-N 3.21Å
735	W	47.1	Very low	51.5	Low	174 Å²	174	129.6 Å²	129.6	66%	0.659	58%	0.584	S	S	*	*	H	α-helix	trans	-60.2	-40.9	176.1	-165.3	-100.7	0	0	0	112.6	C731 E732 R737 E738 K739	C731-W735 WeakPolarHBondContact O-CB 3.33Å; C731-W735 PolarHBondContact O-N 3.5Å; E732-W735 PolarHBondContact O-N 3.25Å; W735-R737 PolarHBondContact O-N 3.35Å; W735-E738 PolarHBondContact O-N 3.22Å; W735-K739 PolarHBondContact O-N 2.87Å; W735-K739 VanDerWaalsContact O-N 3.16Å
736	H	51.1	Low	50.5	Low	113 Å²	113	128.4 Å²	128.4	52%	0.523	60%	0.599	S	S	.	*	H	α-helix	trans	-67.6	-32.1	175.3	-87.7	-73	0	0	0	113.7	E732 Q733 M734 R740	E732-H736 PolarHBondContact O-CD2 2.96Å; E732-H736 VanDerWaalsContact O-CD2 3.29Å; E732-H736 PolarHBondContact O-N 3.35Å; E732-H736 IonicContact OE2-CD2 3.83Å; E732-H736 IonicContact OE2-NE2 2.74Å; Q733-H736 PolarHBondContact O-N 3.07Å; M734-H736 VanDerWaalsContact C-N 3.33Å; M734-H736 PolarHBondContact O-N 2.75Å; H736-R740 PolarHBondContact O-N 2.97Å
737	R	51.3	Low	49.1	Very low	175 Å²	175	129 Å²	129	66%	0.66	61%	0.614	S	S	*	*	H	α-helix	trans	-73.2	-37.8	176.7	-128.9	174.1	179.2	178.6	-0.7	111.9	Q733 M734 W735 R740 R741	Q733-R737 PolarHBondContact O-N 3.31Å; Q733-R737 VanDerWaalsContact O-N 3.08Å; M734-R737 PolarHBondContact O-N 3.26Å; M734-R737 VanDerWaalsContact O-N 3.12Å; W735-R737 PolarHBondContact O-N 3.35Å; R737-R740 PolarHBondContact O-N 3.38Å; R737-R741 PolarHBondContact O-N 2.9Å; R737-R741 VanDerWaalsContact O-N 3.1Å
738	E	49	Very low	48.7	Very low	106 Å²	106	130.2 Å²	130.2	50%	0.495	63%	0.628	S	S	.	*	H	α-helix	trans	-62	-45.9	174.5	-146.4	86.5	-136.3	0	0	111.1	M734 W735 R740 R741 Q742	M734-E738 PolarHBondContact O-N 3.21Å; W735-E738 PolarHBondContact O-N 3.22Å; E738-R740 VanDerWaalsContact C-N 3.32Å; E738-R740 PolarHBondContact O-N 3.18Å; E738-R741 PolarHBondContact O-N 3.06Å; E738-R741 VanDerWaalsContact O-N 3.1Å; E738-Q742 PolarHBondContact O-N 3.44Å
739	K	47.9	Very low	47.4	Very low	133 Å²	133	133.5 Å²	133.5	58%	0.578	64%	0.637	S	S	*	*	H	α-helix	trans	-60.9	-35.6	176.4	-110.1	179.6	178.6	174.6	0	113.2	W735 R743	W735-K739 PolarHBondContact O-N 2.87Å; W735-K739 VanDerWaalsContact O-N 3.16Å; K739-R743 PolarHBondContact O-N 2.74Å
740	R	45.3	Very low	45.9	Very low	202 Å²	202	140.4 Å²	140.4	76%	0.762	66%	0.658	S	S	*	*	H	α-helix	trans	-71.5	-35	174	-85.5	-175.5	171.6	-179.1	-1.1	112.4	H736 R737 E738 R743	H736-R740 PolarHBondContact O-N 2.97Å; R737-R740 PolarHBondContact O-N 3.38Å; E738-R740 VanDerWaalsContact C-N 3.32Å; E738-R740 PolarHBondContact O-N 3.18Å; R740-R743 PolarHBondContact O-N 2.97Å
741	R	46.3	Very low	44.4	Very low	146 Å²	146	147.4 Å²	147.4	55%	0.551	69%	0.69	S	S	*	*	H	α-helix	trans	-70	-37.1	177.3	-86.2	-178.5	162.9	-173	-5.5	112.9	R737 E738 R743 N744	R737-R741 PolarHBondContact O-N 2.9Å; R737-R741 VanDerWaalsContact O-N 3.1Å; E738-R741 PolarHBondContact O-N 3.06Å; E738-R741 VanDerWaalsContact O-N 3.1Å; R741-R743 VanDerWaalsContact C-N 3.3Å; R741-R743 PolarHBondContact O-N 3.39Å; R741-N744 PolarHBondContact O-N 2.98Å
742	Q	49.9	Very low	43	Very low	153 Å²	153	151.4 Å²	151.4	72%	0.715	70%	0.7	S	S	*	*	H	α-helix	trans	-67.3	-30.4	175.2	-76.5	-177.4	-8.7	0	0	112.9	E738 N744	E738-Q742 PolarHBondContact O-N 3.44Å; Q742-N744 VanDerWaalsContact C-N 3.31Å; Q742-N744 PolarHBondContact O-N 2.94Å
743	R	46.7	Very low	41.2	Very low	222 Å²	222	153 Å²	153	84%	0.838	71%	0.71	S	S	*	*	H	α-helix	trans	-71.5	-22.6	177.1	-130	174.5	166.3	-179.2	-5.6	113.8	K739 R740 R741	K739-R743 PolarHBondContact O-N 2.74Å; R740-R743 PolarHBondContact O-N 2.97Å; R741-R743 VanDerWaalsContact C-N 3.3Å; R741-R743 PolarHBondContact O-N 3.39Å
744	N	42.8	Very low	39.7	Very low	150 Å²	150	156.1 Å²	156.1	80%	0.802	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	-2.3	-178.4	-83	4	0	0	0	114.7	R741 Q742	R741-N744 PolarHBondContact O-N 2.98Å; Q742-N744 VanDerWaalsContact C-N 3.31Å; Q742-N744 PolarHBondContact O-N 2.94Å
745	K	41.7	Very low	38.5	Very low	197 Å²	197	162.5 Å²	162.5	86%	0.857	75%	0.753	S	S	*	*	S	Bend	trans	-108.1	11.1	179.9	-79.7	-170.6	174.8	-176.3	0	114.8
746	G	33.8	Very low	37.5	Very low	74 Å²	74	163 Å²	163	76%	0.763	77%	0.765	S	S	*	*			trans	-110.6	105.3	179.2	0	0	0	0	0	114.1
747	G	29.8	Very low	36.5	Very low	70 Å²	70	166.9 Å²	166.9	72%	0.722	78%	0.78	S	S	*	*			trans	167.3	155.4	154.6	0	0	0	0	0	113.7
748	P	41.5	Very low	35.5	Very low	127 Å²	127	168.1 Å²	168.1	83%	0.825	79%	0.791	S	S	*	*			cis	-133.5	144	-24.5	36.5	-19.9	0	0	0	112.9
749	K	29.5	Very low	34.3	Very low	198 Å²	198	172.9 Å²	172.9	86%	0.861	81%	0.81	S	S	*	*	S	Bend	trans	-164.5	107.4	146.1	-109.4	178.3	-171.5	-177.6	0	107.9
750	W	25.3	Very low	33.4	Very low	263 Å²	263	178.7 Å²	178.7	100%	0.996	83%	0.828	S	S	*	*			trans	157	81.2	155.8	-77.1	114.1	0	0	0	105.7
751	K	27	Very low	32.7	Very low	211 Å²	211	176.1 Å²	176.1	92%	0.917	83%	0.83	S	S	*	*			trans	-110.9	107.1	160.8	-94.8	-170	176.7	-176.8	0	106.6
752	H	25.7	Very low	31.9	Very low	161 Å²	161	180 Å²	180	75%	0.745	84%	0.844	S	S	*	*			trans	-129.5	120	146	-155.8	-80.7	0	0	0	108.4
753	M	24.6	Very low	30.9	Very low	153 Å²	153	184.9 Å²	184.9	75%	0.754	86%	0.856	S	S	*	*			trans	52.3	104.9	161.7	-91.8	166	36.2	0	0	119.2
754	Q	26.5	Very low	30	Very low	193 Å²	193	182.1 Å²	182.1	90%	0.902	85%	0.852	S	S	*	*				-167	102.5	112.7	-106.6	174.7	6.6	0	0	110
755	E	26	Very low	29.4	Very low	191 Å²	191	181.5 Å²	181.5	89%	0.893	84%	0.844	S	S	*	*			trans	-161.5	102.4	143.2	-119.4	-174.9	177	0	0	109.6
756	M	25.1	Very low	28.8	Very low	185 Å²	185	181.2 Å²	181.2	91%	0.911	84%	0.838	S	S	*	*			trans	-135.8	97.4	152.2	-88.6	-64.8	-155.6	0	0	108.3
757	K	29.9	Very low	28.5	Very low	194 Å²	194	185.3 Å²	185.3	84%	0.843	84%	0.842	S	S	*	*			trans	13.8	127.8	144.1	-73.6	172.5	174.5	171.3	0	118.9
758	K	30.3	Very low	28.5	Very low	202 Å²	202	188.2 Å²	188.2	88%	0.878	84%	0.841	S	S	*	*			trans	-47.1	134.1	150	-74.5	173.8	171.3	173.8	0	112.8
759	K	25.7	Very low	27.9	Very low	205 Å²	205	189.2 Å²	189.2	89%	0.891	84%	0.839	S	S	*	*				159	119.2	129.4	-91.3	178	179.4	-179	0	110.6
760	R	28.5	Very low	27.9	Very low	256 Å²	256	188.5 Å²	188.5	97%	0.966	84%	0.839	S	S	*	*				169.7	150	110.2	-117.3	175	170.1	166	-4.1	113.1
761	N	29.2	Very low	28.2	Very low	148 Å²	148	183.9 Å²	183.9	79%	0.791	83%	0.833	S	S	*	*			trans	-74.1	158.3	-172.5	-92.7	-23.8	0	0	0	116.6
762	R	29.4	Very low	29.4	Very low	228 Å²	228	178.4 Å²	178.4	86%	0.86	82%	0.819	S	S	*	*			trans	62.6	123.6	142.4	-79.3	179.3	168.6	171.8	-3.5	119.4
763	R	30.4	Very low	29.7	Very low	255 Å²	255	182.2 Å²	182.2	96%	0.962	83%	0.826	S	S	*	*				-157.7	141.7	124.4	-103.5	168.5	-166	-168.4	3	111.8
764	H	28.3	Very low	30.1	Very low	163 Å²	163	179 Å²	179	76%	0.755	82%	0.824	S	S	*	*			trans	-67.8	149.3	176.2	-102.8	-100.4	0	0	0	113
765	H	29.7	Very low	30.4	Very low	138 Å²	138	176.2 Å²	176.2	64%	0.639	82%	0.82	S	S	*	*				145	119.2	107.1	-113.5	-60.8	0	0	0	113.9
766	R	27.8	Very low	30.8	Very low	191 Å²	191	171.1 Å²	171.1	72%	0.721	81%	0.811	S	S	*	*			trans	41.4	129.2	134.2	-80.8	-174.7	179.4	171.4	-6	119.8
767	D	29.1	Very low	31.5	Very low	159 Å²	159	172.7 Å²	172.7	85%	0.85	83%	0.831	S	S	*	*				-155.1	152.4	94	-90.5	-29.1	0	0	0	112.6
768	L	28.6	Very low	31.6	Very low	132 Å²	132	171.6 Å²	171.6	69%	0.691	83%	0.83	S	S	*	*			trans	-80.2	151.1	179.8	-75.4	115	0	0	0	110.8
769	D	29.9	Very low	31.6	Very low	148 Å²	148	170 Å²	170	79%	0.791	83%	0.828	S	S	*	*				-167	137.6	110.9	-96.1	-23.2	0	0	0	114.2
770	E	29.6	Very low	32	Very low	183 Å²	183	168.1 Å²	168.1	86%	0.855	82%	0.824	S	S	*	*			trans	71.1	128.4	152.4	-65.7	-174.2	146.1	0	0	124.5
771	L	30.4	Very low	32.2	Very low	166 Å²	166	162.9 Å²	162.9	87%	0.869	82%	0.816	S	S	*	*			trans	-104.3	-163.9	-179.9	-87.4	158.4	0	0	0	108.8
772	P	52.7	Low	32.3	Very low	96 Å²	96	163.8 Å²	163.8	62%	0.623	82%	0.817	S	S	*	*				-139.1	-164.4	-55.8	38.4	-20.1	0	0	0	113.6
773	R	32.3	Very low	32.5	Very low	240 Å²	240	159.5 Å²	159.5	91%	0.906	81%	0.814	S	S	*	*			trans	98.6	140.8	157.2	-74.3	167.4	176.8	-172.8	-0.1	116.2
774	A	31.7	Very low	32.7	Very low	85 Å²	85	152.7 Å²	152.7	70%	0.702	80%	0.804	S	S	*	*			cis	-153.7	136.7	9.3	0	0	0	0	0	107.4
775	V	33.4	Very low	33	Very low	136 Å²	136	151.9 Å²	151.9	82%	0.824	81%	0.808	S	S	*	*				60.7	105.9	82.5	-177.1	0	0	0	0	115.2
776	A	34.2	Very low	33.3	Very low	84 Å²	84	153.1 Å²	153.1	69%	0.694	82%	0.822	S	S	*	*			trans	53.6	126.4	133.9	0	0	0	0	0	120.7
777	T	39.9	Very low	33.8	Very low	217 Å²	217	149.6 Å²	149.6	100%	1.331	83%	0.831	S	S	*	*				-162.9	0	86.6	16.2	0	0	0	0	110.3

Retrieved 777 of 777 residues in 304.4 ms (Link to these results)

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