A0A3Q0KKZ7_SCHMA Loading...

Endostatin domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KKZ7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 682 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.8	Very low	35.8	Very low	236 Å²	236	149.5 Å²	149.5	100%	1.163	79%	0.787	S	S	*	*				0	115.6	0	-65.6	172	-175.9	0	0	107.1
2	T	35.1	Very low	35.8	Very low	110 Å²	110	153.8 Å²	153.8	68%	0.675	79%	0.794	S	S	*	*			cis	-159.6	146.9	-8	-20.1	0	0	0	0	109.2
3	E	35.8	Very low	35.9	Very low	168 Å²	168	148.5 Å²	148.5	79%	0.785	78%	0.779	S	S	*	*			trans	34.1	130.8	147	-69.8	162.9	148.8	0	0	121.7
4	V	35	Very low	36.2	Very low	119 Å²	119	153.8 Å²	153.8	72%	0.721	79%	0.786	S	S	*	*			cis	100.7	148.3	40	161.3	0	0	0	0	113
5	M	36.6	Very low	36.3	Very low	165 Å²	165	155.5 Å²	155.5	81%	0.813	79%	0.786	S	S	*	*			trans	74.3	158.3	170.8	-78.5	164.6	-164.1	0	0	118.6
6	I	35.3	Very low	36.5	Very low	135 Å²	135	154.6 Å²	154.6	69%	0.692	78%	0.782	S	S	*	*			cis	176.1	167	-39.7	-109.4	167.9	0	0	0	108.5
7	K	36.1	Very low	36.6	Very low	194 Å²	194	152.8 Å²	152.8	84%	0.843	78%	0.775	S	S	*	*			trans	74.1	166.1	172.3	-72.1	151.8	-177.7	175.7	0	117.5
8	N	33.6	Very low	36.6	Very low	140 Å²	140	155.2 Å²	155.2	75%	0.749	78%	0.775	S	S	*	*			cis	-173.7	142.3	-48.7	-150.1	3	0	0	0	109.2
9	S	33.3	Very low	37.1	Very low	90 Å²	90	155.5 Å²	155.5	63%	0.629	78%	0.778	S	S	*	*			trans	44.1	142	154.6	65.7	0	0	0	0	122.7
10	I	38.6	Very low	36.9	Very low	167 Å²	167	155 Å²	155	86%	0.856	78%	0.777	S	S	*	*				-178.5	151.7	120.9	-94.8	157.5	0	0	0	113.6
11	V	33.8	Very low	37.3	Very low	121 Å²	121	154.7 Å²	154.7	73%	0.733	78%	0.776	S	S	*	*			trans	-94.4	149.5	-166.7	172.3	0	0	0	0	114.5
12	K	36.1	Very low	37	Very low	200 Å²	200	151 Å²	151	87%	0.87	76%	0.761	S	S	*	*			trans	176.8	144.4	137.4	-92.8	148.3	-172	177.8	0	110.9
13	S	37.2	Very low	37.4	Very low	86 Å²	86	151.5 Å²	151.5	60%	0.601	76%	0.764	S	S	*	*			cis	118.8	104.6	3.1	168.7	0	0	0	0	114.3
14	Y	39.3	Very low	37.6	Very low	222 Å²	222	153.7 Å²	153.7	87%	0.871	77%	0.771	S	S	*	*			trans	-161.9	123.7	148.3	-77.1	-64.3	0	0	0	107.5
15	K	38.3	Very low	37.7	Very low	180 Å²	180	154.1 Å²	154.1	78%	0.783	77%	0.774	S	S	*	*				56.6	130.3	78	-66.3	-165.4	172.1	-173.5	0	113
16	L	39.5	Very low	37.8	Very low	140 Å²	140	152.2 Å²	152.2	73%	0.733	77%	0.771	S	S	*	*			cis	-159.7	-177.3	5.8	-141.8	69.4	0	0	0	107.6
17	N	38.6	Very low	37.9	Very low	124 Å²	124	150.5 Å²	150.5	66%	0.663	77%	0.771	S	S	*	*			cis	-161.5	169	9.5	-159.4	20.5	0	0	0	113.9
18	Y	36.1	Very low	38.1	Very low	196 Å²	196	148.2 Å²	148.2	77%	0.769	77%	0.767	S	S	*	*			trans	11.9	124.9	156.9	-99.5	-115.1	0	0	0	123.3
19	I	45.4	Very low	38.6	Very low	162 Å²	162	148.7 Å²	148.7	83%	0.831	77%	0.768	S	S	*	*				-167.3	154.5	99	-94.6	171	0	0	0	109
20	L	34	Very low	38.6	Very low	144 Å²	144	151.4 Å²	151.4	75%	0.754	77%	0.774	S	S	*	*			trans	-116.9	119.7	-164.9	-172.5	127.8	0	0	0	113.3
21	I	44.5	Very low	38.4	Very low	150 Å²	150	148.3 Å²	148.3	77%	0.769	77%	0.765	S	S	*	*			trans	-134.6	121.9	164.8	-61.2	-178.3	0	0	0	108.6
22	L	35.4	Very low	38.4	Very low	159 Å²	159	148.2 Å²	148.2	83%	0.832	77%	0.765	S	S	*	*			trans	-83.5	118.4	177.6	-83.7	152.7	0	0	0	110.9
23	T	42.5	Very low	38.2	Very low	120 Å²	120	145 Å²	145	74%	0.736	76%	0.761	S	S	*	*			trans	-137.3	144.7	160.5	46	0	0	0	0	109.2	T25	T23-T25 PolarHBondContact O-N 2.74Å
24	F	39.4	Very low	37.9	Very low	214 Å²	214	149.7 Å²	149.7	94%	0.939	77%	0.771	S	S	*	*			trans	-71.9	117.9	-172.1	-92	-116.4	0	0	0	111.8	V26	F24-V26 PolarHBondContact O-N 3.33Å
25	T	37.3	Very low	37.6	Very low	127 Å²	127	144 Å²	144	78%	0.779	77%	0.765	S	S	*	*			trans	-83.5	107.2	164.3	49.2	0	0	0	0	110	T23 S27	T23-T25 PolarHBondContact O-N 2.74Å; T25-S27 PolarHBondContact O-N 2.83Å; T25-S27 VanDerWaalsContact O-N 3.11Å
26	V	39	Very low	37.9	Very low	125 Å²	125	139.8 Å²	139.8	76%	0.758	75%	0.747	S	S	*	*			trans	-68.5	105.3	169.4	176.7	0	0	0	0	108.6	F24 I28	F24-V26 PolarHBondContact O-N 3.33Å; V26-I28 HydrophobicContact CG1-CG1 4.49Å; V26-I28 PolarHBondContact O-N 2.88Å
27	S	37.2	Very low	38.5	Very low	100 Å²	100	137.9 Å²	137.9	70%	0.699	74%	0.735	S	S	*	*			trans	-69.9	99.8	170.6	-65.4	0	0	0	0	109.4	T25 I29	T25-S27 PolarHBondContact O-N 2.83Å; T25-S27 VanDerWaalsContact O-N 3.11Å; S27-I29 VanDerWaalsContact C-N 3.34Å; S27-I29 PolarHBondContact O-N 3.29Å
28	I	41.3	Very low	39.6	Very low	146 Å²	146	133.8 Å²	133.8	75%	0.749	72%	0.722	S	S	*	*			trans	-68.3	95.4	170.7	-59.3	176	0	0	0	107.7	V26 L30	V26-I28 HydrophobicContact CG1-CG1 4.49Å; V26-I28 PolarHBondContact O-N 2.88Å; I28-L30 PolarHBondContact O-N 2.82Å; I28-L30 VanDerWaalsContact O-N 3.16Å
29	I	43	Very low	41.3	Very low	150 Å²	150	124.8 Å²	124.8	77%	0.769	69%	0.688	S	S	*	*			trans	-70.5	105.8	166.7	-59.7	175.8	0	0	0	106.2	S27 P31	S27-I29 VanDerWaalsContact C-N 3.34Å; S27-I29 PolarHBondContact O-N 3.29Å; I29-P31 WeakPolarHBondContact O-CD 3.43Å
30	L	33.8	Very low	43	Very low	146 Å²	146	118 Å²	118	76%	0.764	65%	0.653	S	S	*	*			trans	-66.1	119.3	171.8	-141.8	76.7	0	0	0	107.6	I28 T32	I28-L30 PolarHBondContact O-N 2.82Å; I28-L30 VanDerWaalsContact O-N 3.16Å; L30-T32 PolarHBondContact O-N 3.04Å
31	P	34.4	Very low	45.2	Very low	102 Å²	102	112 Å²	112	66%	0.662	62%	0.62	S	S	*	*			trans	-64.9	127.5	175.9	26.9	-32.7	0	0	0	108.5	I29 V33	I29-P31 WeakPolarHBondContact O-CD 3.43Å; P31-V33 PolarHBondContact O-N 2.79Å
32	T	34.3	Very low	46.9	Very low	119 Å²	119	107.2 Å²	107.2	73%	0.73	60%	0.596	S	S	*	*			trans	-69.1	101.5	169.6	38.3	0	0	0	0	107.7	L30 F34	L30-T32 PolarHBondContact O-N 3.04Å; T32-F34 VanDerWaalsContact C-N 3.27Å; T32-F34 PolarHBondContact O-N 2.99Å
33	V	32.2	Very low	49.3	Very low	132 Å²	132	99.8 Å²	99.8	80%	0.8	56%	0.557	S	S	*	*			trans	-67.9	89.2	177.2	-175.8	0	0	0	0	108.4	P31 S35	P31-V33 PolarHBondContact O-N 2.79Å; V33-S35 PolarHBondContact O-N 2.92Å; V33-S35 VanDerWaalsContact O-N 3.13Å
34	F	31	Very low	51.1	Low	185 Å²	185	94.4 Å²	94.4	81%	0.811	52%	0.524	S	S	*	.			trans	-63.8	108.1	160.3	-89.2	-90.5	0	0	0	107.1	T32 E36	T32-F34 VanDerWaalsContact C-N 3.27Å; T32-F34 PolarHBondContact O-N 2.99Å; F34-E36 PolarHBondContact O-N 2.84Å; F34-E36 VanDerWaalsContact O-N 3.09Å
35	S	31.8	Very low	52.6	Low	104 Å²	104	86.2 Å²	86.2	73%	0.727	49%	0.487	S	S	*	.			trans	-57.5	115.7	171.2	-171.8	0	0	0	0	108.5	V33 Q37	V33-S35 PolarHBondContact O-N 2.92Å; V33-S35 VanDerWaalsContact O-N 3.13Å; S35-Q37 PolarHBondContact O-N 2.91Å
36	E	46.1	Very low	54.3	Low	90 Å²	90	80.6 Å²	80.6	42%	0.421	45%	0.452	S	S	.	.			trans	-67.7	129.6	-176.7	-172.6	144.9	-110.8	0	0	109.5	F34 G38 Q83 K85	F34-E36 PolarHBondContact O-N 2.84Å; F34-E36 VanDerWaalsContact O-N 3.09Å; E36-G38 PolarHBondContact O-N 2.94Å; E36-Q83 PolarHBondContact OE1-NE2 3.01Å; E36-Q83 PolarHBondContact OE1-OE1 2.93Å; E36-K85 WeakPolarHBondContact OE1-CE 3.37Å; E36-K85 IonicContact OE1-NZ 2.64Å; E36-K85 PolarHBondContact OE1-NZ 2.59Å; E36-K85 IonicContact OE2-NZ 2.71Å
37	Q	51.9	Low	56.2	Low	100 Å²	100	75 Å²	75	47%	0.467	42%	0.418	S	S	.	.			trans	-85.4	105.9	-169.1	-57.5	-170.3	14.5	0	0	109.7	S35	S35-Q37 PolarHBondContact O-N 2.91Å
38	G	61.8	Low	57.8	Low	38 Å²	38	72.7 Å²	72.7	39%	0.392	40%	0.398	S	S	.	.			trans	-51.9	137.8	177.5	0	0	0	0	0	112.9	E36 N40 S231	E36-G38 PolarHBondContact O-N 2.94Å; G38-N40 PolarHBondContact O-N 2.85Å; G38-S231 VanDerWaalsContact CA-OG 3.26Å; G38-S231 WeakPolarHBondContact CA-OG 2.87Å
39	V	71.7	Confident	59.1	Low	8 Å²	8	70 Å²	70	5%	0.048	38%	0.379	C	S	.	.			trans	-99	82.9	-173.3	-179.7	0	0	0	0	109.2	L80 F81 P87 F91 H230 S231	V39-L80 WeakPolarHBondContact CG1-O 3.31Å; V39-F81 HydrophobicContact CG1-CD1 3.88Å; V39-F81 HydrophobicContact CG1-CE1 3.68Å; V39-F81 HydrophobicContact CG1-CZ 4.48Å; V39-F81 HydrophobicContact CG2-CD1 4.31Å; V39-P87 HydrophobicContact CB-CG 3.89Å; V39-P87 HydrophobicContact CG2-CG 3.75Å; V39-F91 HydrophobicContact CB-CE2 4.48Å; V39-F91 HydrophobicContact CG1-CE2 3.93Å; V39-H230 CarbonylContact O-C 3.58Å; V39-H230 VanDerWaalsContact O-C 3.31Å; V39-H230 WeakPolarHBondContact O-CA 3.22Å; V39-S231 PolarHBondContact N-OG 2.74Å; V39-S231 PolarHBondContact O-N 2.9Å
40	N	80.5	Confident	60.5	Low	19 Å²	19	66.4 Å²	66.4	10%	0.102	36%	0.355	C	S	.	.			trans	-119.1	115.3	179.1	-57.9	-23.5	0	0	0	110.7	G38 F229 H230 S231 R254 F255 K256	G38-N40 PolarHBondContact O-N 2.85Å; N40-F229 CarbonylContact C-O 3.5Å; N40-F229 VanDerWaalsContact CA-O 3.31Å; N40-F229 WeakPolarHBondContact CA-O 3.24Å; N40-H230 VanDerWaalsContact OD1-CA 3.27Å; N40-H230 WeakPolarHBondContact OD1-CA 3.25Å; N40-S231 PolarHBondContact OD1-N 2.79Å; N40-R254 WeakPolarHBondContact CB-O 3.45Å; N40-R254 PolarHBondContact ND2-O 2.92Å; N40-R254 VanDerWaalsContact ND2-O 3.08Å; N40-F255 HydrophobicContact CB-CD1 4.13Å; N40-K256 PolarHBondContact O-N 2.82Å
41	W	81.2	Confident	62.5	Low	18 Å²	18	61.5 Å²	61.5	7%	0.068	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	131.5	-172.8	-67	102.6	0	0	0	112.9	I43 L46 R79 L80 S228 F229 K256	W41-I43 HydrophobicContact CB-CD1 3.78Å; W41-L46 HydrophobicContact CD2-CD1 4.45Å; W41-L46 HydrophobicContact CE3-CD1 3.76Å; W41-L46 HydrophobicContact CE3-CD2 4.5Å; W41-L46 HydrophobicContact CE3-CG 4.43Å; W41-L46 HydrophobicContact CZ3-CD1 4.24Å; W41-L46 HydrophobicContact CZ3-CD2 4.4Å; W41-R79 WeakPolarHBondContact CZ2-O 3.23Å; W41-L80 HydrophobicContact CD2-CD2 3.62Å; W41-L80 HydrophobicContact CE3-CD2 4.03Å; W41-L80 HydrophobicContact CG-CD2 3.88Å; W41-L80 HydrophobicContact CZ2-CD2 4.16Å; W41-L80 HydrophobicContact CZ3-CD2 4.44Å; W41-L80 PolarHBondContact NE1-O 2.7Å; W41-S228 CarbonylContact O-C 3.44Å; W41-S228 WeakPolarHBondContact O-CA 3.28Å; W41-S228 VanDerWaalsContact O-CB 3.25Å; W41-S228 WeakPolarHBondContact O-CB 3.19Å; W41-F229 HydrophobicContact CB-CB 4.38Å; W41-F229 HydrophobicContact CB-CD2 4.48Å; W41-F229 PolarHBondContact N-O 2.03Å; W41-F229 PolarHBondContact O-N 3.28Å; W41-K256 WeakPolarHBondContact CH2-O 3.21Å; W41-K256 WeakPolarHBondContact CZ3-O 3.29Å
42	D	80.3	Confident	64.1	Low	50 Å²	50	61.1 Å²	61.1	27%	0.267	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	103.1	160.9	-177.8	-13	0	0	0	109.5	T44 Y45 L46	D42-T44 VanDerWaalsContact C-N 3.32Å; D42-T44 WeakPolarHBondContact OD1-CA 3.4Å; D42-T44 WeakPolarHBondContact OD1-CB 3.26Å; D42-T44 PolarHBondContact OD1-N 3.4Å; D42-Y45 VanDerWaalsContact CG-CB 3.47Å; D42-Y45 PolarHBondContact OD1-N 3.1Å; D42-Y45 WeakPolarHBondContact OD2-CB 3.41Å; D42-L46 WeakPolarHBondContact O-CG 3.27Å; D42-L46 PolarHBondContact O-N 3.08Å; D42-L46 VanDerWaalsContact O-N 3.09Å
43	I	85.2	Confident	65.6	Low	2 Å²	2	56.5 Å²	56.5	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-74	-26.4	179.5	-50.8	-57.5	0	0	0	111.1	W41 L46 L47 L80 F206 A208 F227 F229	W41-I43 HydrophobicContact CB-CD1 3.78Å; I43-L46 HydrophobicContact CD1-CD1 4.09Å; I43-L46 PolarHBondContact O-N 2.88Å; I43-L47 HydrophobicContact CG2-CD1 4.25Å; I43-L47 HydrophobicContact CG2-CG 4.36Å; I43-L47 VanDerWaalsContact O-CB 3.31Å; I43-L47 WeakPolarHBondContact O-CB 3.45Å; I43-L47 VanDerWaalsContact O-CG 3.26Å; I43-L47 WeakPolarHBondContact O-CG 3.22Å; I43-L47 PolarHBondContact O-N 2.56Å; I43-L80 HydrophobicContact CD1-CD1 4.27Å; I43-L80 HydrophobicContact CD1-CD2 4.37Å; I43-F206 HydrophobicContact CG2-CE1 4.16Å; I43-F206 HydrophobicContact CG2-CZ 4.31Å; I43-A208 HydrophobicContact CG2-CB 4.01Å; I43-F227 HydrophobicContact CB-CB 4.27Å; I43-F227 HydrophobicContact CB-CD1 3.75Å; I43-F227 HydrophobicContact CB-CD2 4.09Å; I43-F227 HydrophobicContact CB-CE1 4.06Å; I43-F227 HydrophobicContact CB-CE2 4.35Å; I43-F227 HydrophobicContact CB-CG 3.76Å; I43-F227 HydrophobicContact CB-CZ 4.32Å; I43-F227 HydrophobicContact CG1-CD1 4.49Å; I43-F227 HydrophobicContact CG1-CD2 4.12Å; I43-F227 HydrophobicContact CG1-CE1 4.46Å; I43-F227 HydrophobicContact CG1-CE2 4.07Å; I43-F227 HydrophobicContact CG1-CG 4.32Å; I43-F227 HydrophobicContact CG1-CZ 4.23Å; I43-F227 HydrophobicContact CG2-CD1 3.54Å; I43-F227 HydrophobicContact CG2-CE1 3.53Å; I43-F227 HydrophobicContact CG2-CG 4.11Å; I43-F227 HydrophobicContact CG2-CZ 4.07Å; I43-F227 PolarHBondContact N-O 2.78Å; I43-F229 HydrophobicContact CD1-CD2 3.69Å; I43-F229 HydrophobicContact CD1-CE2 3.74Å; I43-F229 HydrophobicContact CD1-CG 4.5Å; I43-F229 HydrophobicContact CG1-CD2 4Å; I43-F229 HydrophobicContact CG1-CE2 3.98Å; I43-F229 HydrophobicContact CG1-CG 4.41Å; I43-F229 HydrophobicContact CG1-CZ 4.4Å
44	T	79.8	Confident	66.9	Low	7 Å²	7	50.8 Å²	50.8	4%	0.043	26%	0.256	C	S	.	.	H	α-helix	trans	-66.4	-44.7	175.5	-50.1	0	0	0	0	110.3	D42 N48 F60 I62 L224 F227	D42-T44 VanDerWaalsContact C-N 3.32Å; D42-T44 WeakPolarHBondContact OD1-CA 3.4Å; D42-T44 WeakPolarHBondContact OD1-CB 3.26Å; D42-T44 PolarHBondContact OD1-N 3.4Å; T44-N48 WeakPolarHBondContact O-CB 3.46Å; T44-N48 PolarHBondContact O-N 3.49Å; T44-F60 HydrophobicContact CG2-CE1 4.42Å; T44-F60 HydrophobicContact CG2-CZ 4.23Å; T44-I62 HydrophobicContact CG2-CD1 3.46Å; T44-I62 VanDerWaalsContact CG2-CD1 3.46Å; T44-L224 HydrophobicContact CG2-CD2 4.22Å; T44-F227 PolarHBondContact N-O 3.15Å; T44-F227 WeakPolarHBondContact OG1-CB 3.05Å; T44-F227 PolarHBondContact OG1-N 3.11Å; T44-F227 PolarHBondContact OG1-O 3.07Å
45	Y	70.9	Confident	67.8	Low	42 Å²	42	48.1 Å²	48.1	17%	0.165	24%	0.241	C	C	.	.	H	α-helix	trans	-65.1	-44.1	173.5	179.7	-107.1	0	0	0	112.4	D42 L47 N48 R49 Y257 F549	D42-Y45 VanDerWaalsContact CG-CB 3.47Å; D42-Y45 PolarHBondContact OD1-N 3.1Å; D42-Y45 WeakPolarHBondContact OD2-CB 3.41Å; Y45-L47 PolarHBondContact O-N 3.4Å; Y45-N48 PolarHBondContact O-N 2.87Å; Y45-R49 VanDerWaalsContact O-CB 3.24Å; Y45-R49 WeakPolarHBondContact O-CB 3.49Å; Y45-R49 PolarHBondContact O-N 2.94Å; Y45-Y257 HydrophobicContact CD1-CD1 4.31Å; Y45-Y257 AromaticContact CD1-CE1 3.6Å; Y45-Y257 HydrophobicContact CD1-CE1 3.6Å; Y45-Y257 HydrophobicContact CE1-CD1 4.12Å; Y45-Y257 AromaticContact CE1-CE1 3.74Å; Y45-Y257 HydrophobicContact CE1-CE1 3.74Å; Y45-F549 HydrophobicContact CE1-CZ 4.01Å
46	L	74	Confident	68.3	Low	9 Å²	9	44.2 Å²	44.2	5%	0.047	22%	0.215	C	C	.	.	H	α-helix	trans	-60.3	-44.2	175.9	-74.3	-179	0	0	0	112.6	W41 D42 I43 R50 L80 F261	W41-L46 HydrophobicContact CD2-CD1 4.45Å; W41-L46 HydrophobicContact CE3-CD1 3.76Å; W41-L46 HydrophobicContact CE3-CD2 4.5Å; W41-L46 HydrophobicContact CE3-CG 4.43Å; W41-L46 HydrophobicContact CZ3-CD1 4.24Å; W41-L46 HydrophobicContact CZ3-CD2 4.4Å; D42-L46 WeakPolarHBondContact O-CG 3.27Å; D42-L46 PolarHBondContact O-N 3.08Å; D42-L46 VanDerWaalsContact O-N 3.09Å; I43-L46 HydrophobicContact CD1-CD1 4.09Å; I43-L46 PolarHBondContact O-N 2.88Å; L46-R50 WeakPolarHBondContact O-CB 3.41Å; L46-R50 PolarHBondContact O-N 3.41Å; L46-R50 VanDerWaalsContact O-N 3.09Å; L46-L80 HydrophobicContact CD1-CD2 3.75Å; L46-F261 HydrophobicContact CD2-CE1 4.35Å; L46-F261 HydrophobicContact CD2-CE2 4.43Å; L46-F261 HydrophobicContact CD2-CZ 4.2Å
47	L	77.4	Confident	68.2	Low	7 Å²	7	44.9 Å²	44.9	4%	0.037	22%	0.221	C	C	.	.	H	α-helix	trans	-59.5	-51.9	175.5	-81.4	167.7	0	0	0	111	I43 Y45 R49 R50 Y51 I53 Y73 A208 L209 L224	I43-L47 HydrophobicContact CG2-CD1 4.25Å; I43-L47 HydrophobicContact CG2-CG 4.36Å; I43-L47 VanDerWaalsContact O-CB 3.31Å; I43-L47 WeakPolarHBondContact O-CB 3.45Å; I43-L47 VanDerWaalsContact O-CG 3.26Å; I43-L47 WeakPolarHBondContact O-CG 3.22Å; I43-L47 PolarHBondContact O-N 2.56Å; Y45-L47 PolarHBondContact O-N 3.4Å; L47-R49 PolarHBondContact O-N 2.78Å; L47-R50 PolarHBondContact O-N 3.3Å; L47-Y51 HydrophobicContact CD2-CD2 4.37Å; L47-Y51 PolarHBondContact O-N 2.92Å; L47-I53 HydrophobicContact CB-CD1 3.6Å; L47-I53 HydrophobicContact CB-CG1 4.26Å; L47-I53 HydrophobicContact CD1-CD1 4.33Å; L47-I53 HydrophobicContact CG-CD1 4.49Å; L47-Y73 HydrophobicContact CD2-CD2 4.44Å; L47-Y73 HydrophobicContact CD2-CG 4.08Å; L47-A208 HydrophobicContact CD1-CB 4.11Å; L47-A208 HydrophobicContact CD2-CB 3.94Å; L47-A208 HydrophobicContact CG-CB 4.22Å; L47-L209 HydrophobicContact CD1-CD1 3.61Å; L47-L209 HydrophobicContact CD1-CG 4Å; L47-L224 HydrophobicContact CD1-CD2 4.32Å
48	N	72	Confident	68	Low	52 Å²	52	43 Å²	43	28%	0.278	21%	0.213	S	C	.	.	H	α-helix	trans	-64.1	-43.5	-177.6	-163.5	40.4	0	0	0	112.1	T44 Y45 R50 D52 I53 A54	T44-N48 WeakPolarHBondContact O-CB 3.46Å; T44-N48 PolarHBondContact O-N 3.49Å; Y45-N48 PolarHBondContact O-N 2.87Å; N48-R50 VanDerWaalsContact C-N 3.27Å; N48-R50 PolarHBondContact O-N 3.47Å; N48-D52 PolarHBondContact O-N 2.63Å; N48-I53 HydrophobicContact CB-CG1 4.15Å; N48-I53 PolarHBondContact OD1-N 3.32Å; N48-A54 WeakPolarHBondContact OD1-CB 3.39Å; N48-A54 PolarHBondContact OD1-N 2.95Å
49	R	69.1	Low	67.4	Low	91 Å²	91	44.9 Å²	44.9	34%	0.343	21%	0.214	S	C	.	.	H	α-helix	trans	-62.8	-30	177.3	-175.9	176	177.8	-160.2	-2	113.1	Y45 L47	Y45-R49 VanDerWaalsContact O-CB 3.24Å; Y45-R49 WeakPolarHBondContact O-CB 3.49Å; Y45-R49 PolarHBondContact O-N 2.94Å; L47-R49 PolarHBondContact O-N 2.78Å
50	R	71.7	Confident	66.6	Low	74 Å²	74	48.3 Å²	48.3	28%	0.279	23%	0.228	S	C	.	.	H	α-helix	trans	-94.1	-29.5	-177.4	-170.8	169.3	-179.6	163.6	11.9	114.3	L46 L47 N48 S74 F261	L46-R50 WeakPolarHBondContact O-CB 3.41Å; L46-R50 PolarHBondContact O-N 3.41Å; L46-R50 VanDerWaalsContact O-N 3.09Å; L47-R50 PolarHBondContact O-N 3.3Å; N48-R50 VanDerWaalsContact C-N 3.27Å; N48-R50 PolarHBondContact O-N 3.47Å; R50-S74 PolarHBondContact NH1-O 3.47Å; R50-F261 HydrophobicContact CB-CE1 4.26Å
51	Y	75	Confident	65.7	Low	42 Å²	42	49 Å²	49	17%	0.165	23%	0.234	C	C	.	.	H	α-helix	trans	-130.1	3.2	-167.4	-63.6	-76.6	0	0	0	115.2	L47 I53 V71 Y73 S74	L47-Y51 HydrophobicContact CD2-CD2 4.37Å; L47-Y51 PolarHBondContact O-N 2.92Å; Y51-I53 PolarHBondContact O-N 2.98Å; Y51-I53 VanDerWaalsContact O-N 3.15Å; Y51-V71 HydrophobicContact CD1-CG1 4.28Å; Y51-V71 HydrophobicContact CE1-CG1 4.12Å; Y51-Y73 AromaticContact CD1-CD1 3.78Å; Y51-Y73 HydrophobicContact CD1-CD1 3.78Å; Y51-Y73 HydrophobicContact CD1-CE1 4.28Å; Y51-Y73 AromaticContact CD2-CD1 3.74Å; Y51-Y73 HydrophobicContact CD2-CD1 3.74Å; Y51-Y73 HydrophobicContact CD2-CG 4.4Å; Y51-Y73 HydrophobicContact CE1-CD1 4.22Å; Y51-Y73 HydrophobicContact CE2-CD1 4.19Å; Y51-Y73 AromaticContact CG-CD1 3.55Å; Y51-Y73 HydrophobicContact CG-CD1 3.55Å; Y51-Y73 HydrophobicContact CG-CE1 4.04Å; Y51-S74 PolarHBondContact OH-N 2.96Å; Y51-S74 PolarHBondContact OH-O 3.02Å; Y51-S74 PolarHBondContact OH-OG 2.74Å
52	D	67.8	Low	65.3	Low	95 Å²	95	48.3 Å²	48.3	51%	0.508	23%	0.231	S	C	.	.			trans	54	32.3	178.5	-164.3	61.7	0	0	0	113.5	N48 A54 R538	N48-D52 PolarHBondContact O-N 2.63Å; D52-A54 VanDerWaalsContact C-N 3.25Å; D52-A54 PolarHBondContact O-N 3.45Å; D52-R538 IonicContact OD1-NH1 3.2Å; D52-R538 IonicContact OD2-CZ 3.89Å; D52-R538 IonicContact OD2-NH1 2.69Å; D52-R538 PolarHBondContact OD2-NH1 3Å; D52-R538 IonicContact OD2-NH2 2.7Å
53	I	66.7	Low	65.3	Low	21 Å²	21	49.7 Å²	49.7	11%	0.108	24%	0.235	C	C	.	.			trans	-67.1	-20.1	-172.9	53.1	153.6	0	0	0	114.4	L47 N48 Y51 I62 I64 Y73	L47-I53 HydrophobicContact CB-CD1 3.6Å; L47-I53 HydrophobicContact CB-CG1 4.26Å; L47-I53 HydrophobicContact CD1-CD1 4.33Å; L47-I53 HydrophobicContact CG-CD1 4.49Å; N48-I53 HydrophobicContact CB-CG1 4.15Å; N48-I53 PolarHBondContact OD1-N 3.32Å; Y51-I53 PolarHBondContact O-N 2.98Å; Y51-I53 VanDerWaalsContact O-N 3.15Å; I53-I62 HydrophobicContact CB-CG2 4.5Å; I53-I62 HydrophobicContact CD1-CD1 4.14Å; I53-I62 HydrophobicContact CD1-CG2 4.15Å; I53-I62 HydrophobicContact CG1-CG2 4.36Å; I53-I62 WeakPolarHBondContact O-CG2 3.46Å; I53-I64 HydrophobicContact CD1-CD1 3.59Å; I53-Y73 HydrophobicContact CG2-CE1 3.73Å
54	A	59.8	Low	65.3	Low	12 Å²	12	49.6 Å²	49.6	10%	0.099	24%	0.235	C	C	.	.	S	Bend	trans	-111.5	117.3	174.7	0	0	0	0	0	109.8	N48 D52 I62	N48-A54 WeakPolarHBondContact OD1-CB 3.39Å; N48-A54 PolarHBondContact OD1-N 2.95Å; D52-A54 VanDerWaalsContact C-N 3.25Å; D52-A54 PolarHBondContact O-N 3.45Å; A54-I62 HydrophobicContact CB-CB 4.17Å; A54-I62 HydrophobicContact CB-CD1 3.86Å; A54-I62 HydrophobicContact CB-CG1 3.66Å; A54-I62 HydrophobicContact CB-CG2 3.62Å
55	R	49.5	Very low	65.4	Low	130 Å²	130	53.9 Å²	53.9	49%	0.491	25%	0.254	S	S	.	.			trans	-70.8	141.4	173.6	-51.8	-171.8	-174	166.2	4.7	110.5	D57 E58	R55-D57 VanDerWaalsContact CB-OD1 3.28Å; R55-D57 WeakPolarHBondContact CB-OD1 3.47Å; R55-D57 PolarHBondContact O-N 2.95Å; R55-E58 HydrophobicContact CB-CB 4.34Å; R55-E58 HydrophobicContact CB-CG 4.02Å; R55-E58 VanDerWaalsContact CD-OE1 3.23Å; R55-E58 WeakPolarHBondContact CD-OE1 3.41Å; R55-E58 HydrophobicContact CG-CG 4.41Å; R55-E58 IonicContact CZ-OE1 3.28Å; R55-E58 IonicContact NE-OE1 3.48Å; R55-E58 PolarHBondContact NE-OE1 3.43Å; R55-E58 IonicContact NH1-OE1 2.92Å; R55-E58 PolarHBondContact O-N 2.74Å
56	A	42.7	Very low	65.9	Low	22 Å²	22	54.9 Å²	54.9	18%	0.182	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-23.3	172.5	0	0	0	0	0	115.9	Q528 N532	A56-Q528 HydrophobicContact CB-CG 3.4Å; A56-Q528 VanDerWaalsContact CB-CG 3.4Å; A56-N532 VanDerWaalsContact CB-ND2 3.34Å; A56-N532 WeakPolarHBondContact CB-ND2 3.41Å
57	D	42.5	Very low	66.2	Low	103 Å²	103	56 Å²	56	55%	0.551	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	-7.1	-178.3	50.5	-56.5	0	0	0	114.1	R55	R55-D57 VanDerWaalsContact CB-OD1 3.28Å; R55-D57 WeakPolarHBondContact CB-OD1 3.47Å; R55-D57 PolarHBondContact O-N 2.95Å
58	E	49.5	Very low	66.1	Low	61 Å²	61	61.2 Å²	61.2	29%	0.285	31%	0.311	S	S	.	.	S	Bend	trans	-89.3	123.8	175.7	-72.1	174.6	-167.9	0	0	110.3	R55 F60	R55-E58 HydrophobicContact CB-CB 4.34Å; R55-E58 HydrophobicContact CB-CG 4.02Å; R55-E58 VanDerWaalsContact CD-OE1 3.23Å; R55-E58 WeakPolarHBondContact CD-OE1 3.41Å; R55-E58 HydrophobicContact CG-CG 4.41Å; R55-E58 IonicContact CZ-OE1 3.28Å; R55-E58 IonicContact NE-OE1 3.48Å; R55-E58 PolarHBondContact NE-OE1 3.43Å; R55-E58 IonicContact NH1-OE1 2.92Å; R55-E58 PolarHBondContact O-N 2.74Å; E58-F60 PolarHBondContact O-N 2.74Å
59	D	49.3	Very low	66.3	Low	78 Å²	78	61.3 Å²	61.3	42%	0.417	32%	0.324	S	S	.	.			trans	-68.8	119.9	176.2	-90.3	-30.9	0	0	0	110	R515 F525 R529	D59-R515 IonicContact OD1-CZ 2.59Å; D59-R515 VanDerWaalsContact OD1-CZ 3.26Å; D59-R515 IonicContact OD1-NH1 3.55Å; D59-R515 PolarHBondContact OD1-NH1 3.43Å; D59-R515 IonicContact OD1-NH2 3.26Å; D59-R515 PolarHBondContact OD1-NH2 3.47Å; D59-R515 IonicContact OD2-NH2 3.72Å; D59-R515 PolarHBondContact OD2-NH2 2.91Å; D59-F525 VanDerWaalsContact OD1-CZ 3.32Å; D59-F525 WeakPolarHBondContact OD1-CZ 3.39Å; D59-R529 IonicContact OD1-NH1 2.67Å; D59-R529 PolarHBondContact OD1-NH1 2.79Å; D59-R529 IonicContact OD2-NH1 2.63Å
60	F	52.9	Low	66.6	Low	79 Å²	79	62 Å²	62	35%	0.346	34%	0.335	S	S	.	.	S	Bend	trans	-45	124.1	174.1	-120.2	-92.9	0	0	0	110.2	T44 E58 I62 T517	T44-F60 HydrophobicContact CG2-CE1 4.42Å; T44-F60 HydrophobicContact CG2-CZ 4.23Å; E58-F60 PolarHBondContact O-N 2.74Å; F60-I62 HydrophobicContact CD1-CG1 4.36Å; F60-I62 HydrophobicContact CD2-CG1 4.37Å; F60-I62 HydrophobicContact CE1-CD1 4.22Å; F60-I62 HydrophobicContact CE1-CG1 3.84Å; F60-I62 HydrophobicContact CE2-CD1 4.2Å; F60-I62 HydrophobicContact CE2-CG1 3.86Å; F60-I62 HydrophobicContact CZ-CD1 3.69Å; F60-I62 HydrophobicContact CZ-CG1 3.58Å; F60-T517 HydrophobicContact CD1-CG2 4.35Å; F60-T517 HydrophobicContact CG-CG2 4.33Å
61	P	63.3	Low	67.2	Low	35 Å²	35	61.5 Å²	61.5	23%	0.227	34%	0.34	C	S	.	.	S	Bend	cis	-68.4	152.3	25.4	33.5	-43.7	0	0	0	116.9	Y160 Y223	P61-Y160 HydrophobicContact CB-CE1 4.4Å; P61-Y160 WeakPolarHBondContact CB-OH 3.3Å; P61-Y160 VanDerWaalsContact CG-OH 3.26Å; P61-Y160 WeakPolarHBondContact CG-OH 3.42Å; P61-Y223 HydrophobicContact CB-CD1 4.03Å; P61-Y223 HydrophobicContact CB-CG 4.45Å; P61-Y223 HydrophobicContact CG-CD1 3.64Å; P61-Y223 HydrophobicContact CG-CE1 4.34Å; P61-Y223 HydrophobicContact CG-CG 4.27Å
62	I	71.5	Confident	67.8	Low	2 Å²	2	60.5 Å²	60.5	1%	0.01	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	129.1	167.5	-50.1	178.8	0	0	0	108.8	T44 I53 A54 F60 I64 Y223 L224	T44-I62 HydrophobicContact CG2-CD1 3.46Å; T44-I62 VanDerWaalsContact CG2-CD1 3.46Å; I53-I62 HydrophobicContact CB-CG2 4.5Å; I53-I62 HydrophobicContact CD1-CD1 4.14Å; I53-I62 HydrophobicContact CD1-CG2 4.15Å; I53-I62 HydrophobicContact CG1-CG2 4.36Å; I53-I62 WeakPolarHBondContact O-CG2 3.46Å; A54-I62 HydrophobicContact CB-CB 4.17Å; A54-I62 HydrophobicContact CB-CD1 3.86Å; A54-I62 HydrophobicContact CB-CG1 3.66Å; A54-I62 HydrophobicContact CB-CG2 3.62Å; F60-I62 HydrophobicContact CD1-CG1 4.36Å; F60-I62 HydrophobicContact CD2-CG1 4.37Å; F60-I62 HydrophobicContact CE1-CD1 4.22Å; F60-I62 HydrophobicContact CE1-CG1 3.84Å; F60-I62 HydrophobicContact CE2-CD1 4.2Å; F60-I62 HydrophobicContact CE2-CG1 3.86Å; F60-I62 HydrophobicContact CZ-CD1 3.69Å; F60-I62 HydrophobicContact CZ-CG1 3.58Å; I62-I64 HydrophobicContact CB-CD1 4.3Å; I62-I64 HydrophobicContact CG2-CD1 3.76Å; I62-I64 PolarHBondContact O-N 2.7Å; I62-Y223 CarbonylContact O-C 3.58Å; I62-Y223 VanDerWaalsContact O-CA 3.28Å; I62-Y223 WeakPolarHBondContact O-CA 3.32Å; I62-L224 PolarHBondContact N-O 3Å; I62-L224 PolarHBondContact O-N 3.11Å
63	K	81.8	Confident	68.8	Low	79 Å²	79	56.7 Å²	56.7	34%	0.343	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	108.2	170.3	-169.2	-167.7	178.7	-157.7	0	110	Q65 G222 Y223	K63-Q65 HydrophobicContact CD-CG 4.3Å; K63-Q65 HydrophobicContact CG-CG 4.34Å; K63-Q65 VanDerWaalsContact NZ-CD 3.28Å; K63-G222 CarbonylContact C-O 3.56Å; K63-Y223 HydrophobicContact CB-CD1 4.08Å; K63-Y223 HydrophobicContact CB-CE1 3.86Å; K63-Y223 HydrophobicContact CG-CD1 4.27Å; K63-Y223 HydrophobicContact CG-CE1 3.86Å
64	I	84.2	Confident	70.1	Confident	1 Å²	1	57 Å²	57	1%	0.005	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	125	176	-47	-63.9	0	0	0	109.2	I53 I62 Y73 L209 F220 G222 L224	I53-I64 HydrophobicContact CD1-CD1 3.59Å; I62-I64 HydrophobicContact CB-CD1 4.3Å; I62-I64 HydrophobicContact CG2-CD1 3.76Å; I62-I64 PolarHBondContact O-N 2.7Å; I64-Y73 HydrophobicContact CG2-CE2 4.44Å; I64-L209 HydrophobicContact CD1-CD1 3.76Å; I64-L209 HydrophobicContact CG1-CD1 3.89Å; I64-L209 HydrophobicContact CG2-CD1 3.93Å; I64-F220 HydrophobicContact CB-CD1 3.83Å; I64-F220 HydrophobicContact CB-CE1 3.91Å; I64-F220 HydrophobicContact CG1-CD1 3.94Å; I64-F220 HydrophobicContact CG1-CE1 3.78Å; I64-F220 HydrophobicContact CG2-CD1 4.03Å; I64-F220 VanDerWaalsContact CG2-O 3.26Å; I64-F220 WeakPolarHBondContact CG2-O 3.45Å; I64-G222 PolarHBondContact N-O 3.45Å; I64-G222 PolarHBondContact O-N 3.4Å; I64-L224 HydrophobicContact CD1-CB 4.05Å; I64-L224 HydrophobicContact CD1-CD2 4.49Å; I64-L224 HydrophobicContact CG1-CB 3.8Å
65	Q	81.5	Confident	71.5	Confident	97 Å²	97	57 Å²	57	45%	0.453	32%	0.318	S	S	.	.			trans	-126.9	146.3	168.7	-54.2	-160.9	-106	0	0	108.6	K63 Y73	K63-Q65 HydrophobicContact CD-CG 4.3Å; K63-Q65 HydrophobicContact CG-CG 4.34Å; K63-Q65 VanDerWaalsContact NZ-CD 3.28Å; Q65-Y73 PolarHBondContact O-OH 2.87Å
66	P	81.9	Confident	73.5	Confident	62 Å²	62	53.6 Å²	53.6	40%	0.403	31%	0.313	S	S	.	.			trans	-53.2	131.3	173.5	-26.1	34.3	0	0	0	110.9	Y219	P66-Y219 HydrophobicContact CB-CD2 4.07Å; P66-Y219 HydrophobicContact CB-CG 4.09Å; P66-Y219 HydrophobicContact CG-CG 4.33Å
67	P	81	Confident	75.9	Confident	33 Å²	33	52.6 Å²	52.6	21%	0.214	31%	0.305	C	S	.	.			trans	-70.8	158.1	-178.7	28.8	-32.4	0	0	0	111.4	G69 V71 Y73 Y219	P67-G69 PolarHBondContact O-N 3.42Å; P67-V71 HydrophobicContact CB-CB 4.14Å; P67-V71 HydrophobicContact CG-CB 4Å; P67-V71 WeakPolarHBondContact CG-O 3.41Å; P67-Y73 HydrophobicContact CB-CE1 4.28Å; P67-Y73 HydrophobicContact CG-CE1 3.99Å; P67-Y73 HydrophobicContact CG-CE2 4.48Å; P67-Y219 VanDerWaalsContact CD-CE1 3.44Å; P67-Y219 HydrophobicContact CG-CE1 3.96Å
68	S	75.6	Confident	78.3	Confident	117 Å²	117	50.7 Å²	50.7	82%	0.818	29%	0.294	S	S	*	.	S	Bend	trans	-73.4	115.1	178.4	55.2	0	0	0	0	111.6
69	G	75.8	Confident	80	Confident	54 Å²	54	50.9 Å²	50.9	56%	0.557	29%	0.292	S	S	*	.	S	Bend	trans	89	-170.9	-178.7	0	0	0	0	0	113.3	P67 V71	P67-G69 PolarHBondContact O-N 3.42Å; G69-V71 PolarHBondContact O-N 3.42Å
70	D	74.8	Confident	81.7	Confident	106 Å²	106	47.2 Å²	47.2	57%	0.567	27%	0.273	S	S	*	.	S	Bend	trans	-67.5	24.6	-171.7	-57.7	13.5	0	0	0	116.2	L72 K214	D70-L72 PolarHBondContact O-N 2.96Å; D70-K214 HydrophobicContact CB-CD 4.1Å; D70-K214 HydrophobicContact CB-CG 4.45Å; D70-K214 WeakPolarHBondContact OD2-CD 3.42Å; D70-K214 WeakPolarHBondContact OD2-CE 3.42Å; D70-K214 IonicContact OD2-NZ 2.87Å; D70-K214 PolarHBondContact OD2-NZ 3.41Å
71	V	83.9	Confident	83.6	Confident	63 Å²	63	43.6 Å²	43.6	38%	0.382	26%	0.257	S	S	.	.			trans	-82.8	82.5	-167.6	-173	0	0	0	0	111.1	Y51 P67 G69 Y73 Y219	Y51-V71 HydrophobicContact CD1-CG1 4.28Å; Y51-V71 HydrophobicContact CE1-CG1 4.12Å; P67-V71 HydrophobicContact CB-CB 4.14Å; P67-V71 HydrophobicContact CG-CB 4Å; P67-V71 WeakPolarHBondContact CG-O 3.41Å; G69-V71 PolarHBondContact O-N 3.42Å; V71-Y73 PolarHBondContact O-N 3.47Å; V71-Y219 VanDerWaalsContact C-OH 3.24Å; V71-Y219 PolarHBondContact O-OH 2.84Å
72	L	88	Confident	84.7	Confident	21 Å²	21	45.3 Å²	45.3	11%	0.11	27%	0.268	C	S	.	.			trans	-71.5	116.6	175.1	-59.6	170.1	0	0	0	110.6	D70 S74 Y207 N210 G212 K214	D70-L72 PolarHBondContact O-N 2.96Å; L72-S74 WeakPolarHBondContact O-CB 3.45Å; L72-S74 PolarHBondContact O-N 2.89Å; L72-S74 VanDerWaalsContact O-N 3.09Å; L72-S74 PolarHBondContact O-OG 2.9Å; L72-Y207 HydrophobicContact CB-CD1 3.97Å; L72-Y207 HydrophobicContact CB-CE1 4.05Å; L72-Y207 HydrophobicContact CD1-CD1 4.47Å; L72-Y207 HydrophobicContact CD1-CE1 3.98Å; L72-N210 HydrophobicContact CD2-CB 4.48Å; L72-N210 WeakPolarHBondContact CD2-OD1 3.43Å; L72-G212 WeakPolarHBondContact CD1-O 3.35Å; L72-K214 HydrophobicContact CD1-CG 3.95Å
73	Y	89.8	Confident	85.6	Confident	14 Å²	14	50.2 Å²	50.2	6%	0.055	29%	0.291	C	S	.	.			trans	-62.9	113.9	176.3	-53.8	-52.7	0	0	0	110.2	L47 Y51 I53 I64 Q65 P67 V71 Y207 A208 L209 N210 Y219	L47-Y73 HydrophobicContact CD2-CD2 4.44Å; L47-Y73 HydrophobicContact CD2-CG 4.08Å; Y51-Y73 AromaticContact CD1-CD1 3.78Å; Y51-Y73 HydrophobicContact CD1-CD1 3.78Å; Y51-Y73 HydrophobicContact CD1-CE1 4.28Å; Y51-Y73 AromaticContact CD2-CD1 3.74Å; Y51-Y73 HydrophobicContact CD2-CD1 3.74Å; Y51-Y73 HydrophobicContact CD2-CG 4.4Å; Y51-Y73 HydrophobicContact CE1-CD1 4.22Å; Y51-Y73 HydrophobicContact CE2-CD1 4.19Å; Y51-Y73 AromaticContact CG-CD1 3.55Å; Y51-Y73 HydrophobicContact CG-CD1 3.55Å; Y51-Y73 HydrophobicContact CG-CE1 4.04Å; I53-Y73 HydrophobicContact CG2-CE1 3.73Å; I64-Y73 HydrophobicContact CG2-CE2 4.44Å; Q65-Y73 PolarHBondContact O-OH 2.87Å; P67-Y73 HydrophobicContact CB-CE1 4.28Å; P67-Y73 HydrophobicContact CG-CE1 3.99Å; P67-Y73 HydrophobicContact CG-CE2 4.48Å; V71-Y73 PolarHBondContact O-N 3.47Å; Y73-Y207 CarbonylContact O-C 3.59Å; Y73-Y207 VanDerWaalsContact O-CA 3.28Å; Y73-Y207 WeakPolarHBondContact O-CA 3.33Å; Y73-A208 WeakPolarHBondContact CB-O 3.31Å; Y73-A208 PolarHBondContact O-N 3.07Å; Y73-L209 HydrophobicContact CD2-CB 4.27Å; Y73-N210 PolarHBondContact N-ND2 2.94Å; Y73-N210 PolarHBondContact O-ND2 3Å; Y73-Y219 HydrophobicContact CD2-CE1 4.25Å; Y73-Y219 HydrophobicContact CE2-CD1 4.42Å; Y73-Y219 HydrophobicContact CE2-CE1 4.29Å
74	S	92.2	Very high	86.1	Confident	27 Å²	27	47.4 Å²	47.4	19%	0.189	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	158.5	-165.5	52.7	0	0	0	0	114.9	R50 Y51 L72 F206	R50-S74 PolarHBondContact NH1-O 3.47Å; Y51-S74 PolarHBondContact OH-N 2.96Å; Y51-S74 PolarHBondContact OH-O 3.02Å; Y51-S74 PolarHBondContact OH-OG 2.74Å; L72-S74 WeakPolarHBondContact O-CB 3.45Å; L72-S74 PolarHBondContact O-N 2.89Å; L72-S74 VanDerWaalsContact O-N 3.09Å; L72-S74 PolarHBondContact O-OG 2.9Å; S74-F206 CarbonylContact C-O 3.59Å; S74-F206 WeakPolarHBondContact CA-O 3.23Å; S74-F206 WeakPolarHBondContact CB-O 3.29Å
75	V	90	Very high	86.6	Confident	12 Å²	12	48.8 Å²	48.8	7%	0.073	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	153	166.3	-46.8	0	0	0	0	110.1	A77 L80 F206 F261	V75-A77 PolarHBondContact O-N 2.68Å; V75-L80 HydrophobicContact CG2-CD1 3.82Å; V75-L80 HydrophobicContact CG2-CD2 4.3Å; V75-L80 HydrophobicContact CG2-CG 3.81Å; V75-F206 HydrophobicContact CG2-CB 4.09Å; V75-F206 HydrophobicContact CG2-CD1 3.95Å; V75-F206 HydrophobicContact CG2-CG 4.43Å; V75-F206 PolarHBondContact N-O 3.22Å; V75-F206 PolarHBondContact O-N 2.72Å; V75-F206 VanDerWaalsContact O-O 3.1Å; V75-F261 HydrophobicContact CG1-CE2 4.33Å; V75-F261 HydrophobicContact CG1-CZ 3.76Å
76	P	92	Very high	87.2	Confident	60 Å²	60	44.2 Å²	44.2	39%	0.39	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	128.3	171	-22.1	33.4	0	0	0	110.4	L78 R79	P76-L78 PolarHBondContact O-N 3.39Å; P76-R79 WeakPolarHBondContact O-CB 2.98Å; P76-R79 PolarHBondContact O-N 2.99Å
77	A	93.3	Very high	87.7	Confident	0 Å²	0	42 Å²	42	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.4	-32.5	-172.3	0	0	0	0	0	112.3	V75 R79 L80 F81 I113 F200 A204 F206	V75-A77 PolarHBondContact O-N 2.68Å; A77-R79 PolarHBondContact O-N 2.78Å; A77-L80 PolarHBondContact O-N 3Å; A77-L80 VanDerWaalsContact O-N 3.07Å; A77-F81 PolarHBondContact O-N 3.14Å; A77-I113 HydrophobicContact CB-CG2 3.99Å; A77-F200 HydrophobicContact CB-CD1 4.23Å; A77-F200 HydrophobicContact CB-CD2 4.11Å; A77-F200 HydrophobicContact CB-CE1 3.82Å; A77-F200 HydrophobicContact CB-CE2 3.69Å; A77-F200 HydrophobicContact CB-CG 4.36Å; A77-F200 HydrophobicContact CB-CZ 3.52Å; A77-A204 HydrophobicContact CB-CB 4.16Å; A77-A204 WeakPolarHBondContact CB-O 2.87Å; A77-A204 PolarHBondContact N-O 3.26Å; A77-F206 HydrophobicContact CB-CB 4.35Å
78	L	91.1	Very high	88.1	Confident	63 Å²	63	43.6 Å²	43.6	33%	0.33	26%	0.258	S	S	.	.	H	α-helix	trans	-57.6	-22.3	172.1	-74.9	172.9	0	0	0	114.5	P76 F81 P82 S84 F200 K202	P76-L78 PolarHBondContact O-N 3.39Å; L78-F81 CarbonylContact O-C 3.55Å; L78-P82 VanDerWaalsContact O-CA 3.29Å; L78-P82 WeakPolarHBondContact O-CA 3.37Å; L78-S84 VanDerWaalsContact CD2-OG 3.24Å; L78-S84 WeakPolarHBondContact CD2-OG 3.5Å; L78-F200 HydrophobicContact CD2-CE2 3.93Å; L78-F200 HydrophobicContact CG-CE2 4.04Å; L78-K202 HydrophobicContact CD1-CG 4.46Å
79	R	85.3	Confident	88.7	Confident	65 Å²	65	45.5 Å²	45.5	25%	0.245	25%	0.254	C	S	.	.	H	α-helix	trans	-71.6	-39.2	173.8	-77.3	-167.5	167.6	172.9	-5.5	111.8	W41 P76 A77 D258	W41-R79 WeakPolarHBondContact CZ2-O 3.23Å; P76-R79 WeakPolarHBondContact O-CB 2.98Å; P76-R79 PolarHBondContact O-N 2.99Å; A77-R79 PolarHBondContact O-N 2.78Å; R79-D258 IonicContact CZ-OD2 3.83Å; R79-D258 IonicContact NE-OD2 2.66Å; R79-D258 PolarHBondContact NE-OD2 3.02Å; R79-D258 IonicContact NH1-OD2 3.28Å; R79-D258 IonicContact NH2-OD2 2.74Å
80	L	86.5	Confident	89.4	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-81.2	-36.3	180	-58.3	-178	0	0	0	111.9	V39 W41 I43 L46 V75 A77 F206 F229	V39-L80 WeakPolarHBondContact CG1-O 3.31Å; W41-L80 HydrophobicContact CD2-CD2 3.62Å; W41-L80 HydrophobicContact CE3-CD2 4.03Å; W41-L80 HydrophobicContact CG-CD2 3.88Å; W41-L80 HydrophobicContact CZ2-CD2 4.16Å; W41-L80 HydrophobicContact CZ3-CD2 4.44Å; W41-L80 PolarHBondContact NE1-O 2.7Å; I43-L80 HydrophobicContact CD1-CD1 4.27Å; I43-L80 HydrophobicContact CD1-CD2 4.37Å; L46-L80 HydrophobicContact CD1-CD2 3.75Å; V75-L80 HydrophobicContact CG2-CD1 3.82Å; V75-L80 HydrophobicContact CG2-CD2 4.3Å; V75-L80 HydrophobicContact CG2-CG 3.81Å; A77-L80 PolarHBondContact O-N 3Å; A77-L80 VanDerWaalsContact O-N 3.07Å; L80-F206 HydrophobicContact CD1-CB 4.04Å; L80-F206 HydrophobicContact CD1-CD1 3.48Å; L80-F206 VanDerWaalsContact CD1-CD1 3.48Å; L80-F206 HydrophobicContact CD1-CD2 3.89Å; L80-F206 HydrophobicContact CD1-CE1 3.74Å; L80-F206 HydrophobicContact CD1-CE2 4.18Å; L80-F206 HydrophobicContact CD1-CG 3.53Å; L80-F206 HydrophobicContact CD1-CZ 4.09Å; L80-F229 HydrophobicContact CD1-CE2 4.23Å
81	F	91.7	Very high	90.3	Very high	2 Å²	2	38 Å²	38	1%	0.009	20%	0.202	C	C	.	.			trans	-128.1	82.7	-177.3	-51.4	-84.5	0	0	0	110.3	V39 A77 L78 Q83 S84 L86 F91 I113 F200 F229	V39-F81 HydrophobicContact CG1-CD1 3.88Å; V39-F81 HydrophobicContact CG1-CE1 3.68Å; V39-F81 HydrophobicContact CG1-CZ 4.48Å; V39-F81 HydrophobicContact CG2-CD1 4.31Å; A77-F81 PolarHBondContact O-N 3.14Å; L78-F81 CarbonylContact O-C 3.55Å; F81-Q83 PolarHBondContact O-N 3.23Å; F81-S84 PolarHBondContact O-N 3.22Å; F81-S84 VanDerWaalsContact O-N 3.08Å; F81-L86 HydrophobicContact CD1-CD2 3.75Å; F81-L86 HydrophobicContact CE1-CD2 3.33Å; F81-L86 HydrophobicContact CZ-CD2 3.91Å; F81-F91 HydrophobicContact CE1-CE1 4.3Å; F81-F91 AromaticContact CE1-CE2 3.83Å; F81-F91 HydrophobicContact CE1-CE2 3.83Å; F81-F91 AromaticContact CE1-CZ 3.64Å; F81-F91 HydrophobicContact CE1-CZ 3.64Å; F81-F91 HydrophobicContact CZ-CE1 4.36Å; F81-F91 HydrophobicContact CZ-CE2 4.33Å; F81-F91 AromaticContact CZ-CZ 3.73Å; F81-F91 HydrophobicContact CZ-CZ 3.73Å; F81-I113 HydrophobicContact CD2-CD1 4.2Å; F81-I113 HydrophobicContact CE2-CD1 3.81Å; F81-F200 HydrophobicContact CB-CE1 3.88Å; F81-F200 HydrophobicContact CB-CZ 3.88Å; F81-F200 HydrophobicContact CD2-CE1 4.06Å; F81-F200 HydrophobicContact CG-CE1 4.26Å; F81-F229 HydrophobicContact CZ-CD2 4.27Å; F81-F229 HydrophobicContact CZ-CE2 4.15Å
82	P	87.4	Confident	90.6	Very high	72 Å²	72	35 Å²	35	47%	0.468	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-23	-170.4	-28.6	36.8	0	0	0	115.9	L78	L78-P82 VanDerWaalsContact O-CA 3.29Å; L78-P82 WeakPolarHBondContact O-CA 3.37Å
83	Q	89.1	Confident	90.8	Very high	104 Å²	104	34 Å²	34	49%	0.486	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	7.6	-177.6	-57.7	-168.2	39.8	0	0	114	E36 F81 K85	E36-Q83 PolarHBondContact OE1-NE2 3.01Å; E36-Q83 PolarHBondContact OE1-OE1 2.93Å; F81-Q83 PolarHBondContact O-N 3.23Å; Q83-K85 HydrophobicContact CB-CG 3.81Å; Q83-K85 PolarHBondContact O-N 2.94Å; Q83-K85 VanDerWaalsContact O-N 3.15Å
84	S	93.7	Very high	90.7	Very high	20 Å²	20	34.1 Å²	34.1	14%	0.14	18%	0.179	C	C	.	.	S	Bend	trans	60.5	9.4	-171.6	-60.2	0	0	0	0	116.3	L78 F81 L199 F200	L78-S84 VanDerWaalsContact CD2-OG 3.24Å; L78-S84 WeakPolarHBondContact CD2-OG 3.5Å; F81-S84 PolarHBondContact O-N 3.22Å; F81-S84 VanDerWaalsContact O-N 3.08Å; S84-L199 WeakPolarHBondContact O-CB 3.48Å; S84-L199 PolarHBondContact O-N 3.31Å; S84-F200 WeakPolarHBondContact CB-O 3.39Å; S84-F200 PolarHBondContact O-N 3.49Å
85	K	94.1	Very high	90.6	Very high	30 Å²	30	32.9 Å²	32.9	13%	0.13	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-121.3	162.3	175.1	56.6	162.7	179.9	163.4	0	111	E36 Q83 D88 G196 E197	E36-K85 WeakPolarHBondContact OE1-CE 3.37Å; E36-K85 IonicContact OE1-NZ 2.64Å; E36-K85 PolarHBondContact OE1-NZ 2.59Å; E36-K85 IonicContact OE2-NZ 2.71Å; Q83-K85 HydrophobicContact CB-CG 3.81Å; Q83-K85 PolarHBondContact O-N 2.94Å; Q83-K85 VanDerWaalsContact O-N 3.15Å; K85-D88 WeakPolarHBondContact CD-OD1 3.45Å; K85-D88 WeakPolarHBondContact CE-OD1 3.2Å; K85-D88 IonicContact NZ-OD1 3.19Å; K85-D88 PolarHBondContact NZ-OD1 2.59Å; K85-D88 IonicContact NZ-OD2 2.93Å; K85-D88 PolarHBondContact NZ-OD2 2.95Å; K85-G196 VanDerWaalsContact CD-O 3.27Å; K85-G196 WeakPolarHBondContact CD-O 3.33Å; K85-E197 WeakPolarHBondContact CB-O 3.36Å
86	L	93.4	Very high	90.5	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-73.1	161	160.3	-63.2	-176.8	0	0	0	109.9	F81 F91 L122 L194 L195 G196 L199	F81-L86 HydrophobicContact CD1-CD2 3.75Å; F81-L86 HydrophobicContact CE1-CD2 3.33Å; F81-L86 HydrophobicContact CZ-CD2 3.91Å; L86-F91 HydrophobicContact CD1-CD1 4.01Å; L86-F91 HydrophobicContact CD2-CD1 3.95Å; L86-F91 HydrophobicContact CD2-CE1 3.89Å; L86-F91 HydrophobicContact CD2-CG 4.47Å; L86-F91 HydrophobicContact CD2-CZ 4.36Å; L86-F91 HydrophobicContact CG-CD1 4.5Å; L86-L122 HydrophobicContact CD1-CD2 4.43Å; L86-L122 HydrophobicContact CD2-CD2 4.28Å; L86-L194 HydrophobicContact CD1-CD1 3.71Å; L86-L194 HydrophobicContact CD1-CG 3.88Å; L86-L195 HydrophobicContact CB-CD2 3.94Å; L86-L195 HydrophobicContact CD1-CD2 4.15Å; L86-G196 PolarHBondContact O-N 3.3Å; L86-L199 HydrophobicContact CD2-CD2 4.06Å; L86-L199 HydrophobicContact CG-CD2 4.01Å
87	P	92.1	Very high	90.3	Very high	17 Å²	17	30.7 Å²	30.7	11%	0.11	16%	0.155	C	C	.	.			trans	-53.2	156.5	171.4	-23.8	33.1	0	0	0	112.9	V39 F91 L195 G196	V39-P87 HydrophobicContact CB-CG 3.89Å; V39-P87 HydrophobicContact CG2-CG 3.75Å; P87-F91 HydrophobicContact CG-CD2 4.14Å; P87-L195 VanDerWaalsContact O-CB 3.23Å; P87-L195 WeakPolarHBondContact O-CB 3.1Å; P87-L195 WeakPolarHBondContact O-CD2 3.27Å; P87-G196 PolarHBondContact O-N 3.28Å
88	D	90	Very high	90.1	Very high	65 Å²	65	34.1 Å²	34.1	35%	0.348	17%	0.17	S	C	.	.	S	Bend	trans	-85.8	-31	-167.1	-66.8	20.2	0	0	0	113	K85 G196	K85-D88 WeakPolarHBondContact CD-OD1 3.45Å; K85-D88 WeakPolarHBondContact CE-OD1 3.2Å; K85-D88 IonicContact NZ-OD1 3.19Å; K85-D88 PolarHBondContact NZ-OD1 2.59Å; K85-D88 IonicContact NZ-OD2 2.93Å; K85-D88 PolarHBondContact NZ-OD2 2.95Å; D88-G196 VanDerWaalsContact OD1-CA 3.29Å; D88-G196 WeakPolarHBondContact OD1-CA 3.02Å
89	E	88.2	Confident	89.9	Confident	158 Å²	158	31.4 Å²	31.4	74%	0.738	16%	0.156	S	C	*	.	S	Bend	trans	-97.4	-46.8	-173.6	-59.4	-173.3	151	0	0	113.4	P169 L195	E89-P169 WeakPolarHBondContact O-CD 3.08Å; E89-L195 WeakPolarHBondContact O-CD1 3.17Å
90	T	90.7	Very high	90	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.018	16%	0.158	C	C	.	.			trans	-157.2	145.2	-176.2	-175.4	0	0	0	0	112	L166 I167 S231 E233	T90-L166 WeakPolarHBondContact OG1-CD1 3.42Å; T90-I167 WeakPolarHBondContact CA-O 3.49Å; T90-S231 WeakPolarHBondContact CG2-O 3.3Å; T90-E233 HydrophobicContact CG2-CG 4.36Å
91	F	93	Very high	89.8	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	127.6	171.3	-175	-123.5	0	0	0	110.2	V39 F81 L86 P87 I93 I167 L195 F229 H230	V39-F91 HydrophobicContact CB-CE2 4.48Å; V39-F91 HydrophobicContact CG1-CE2 3.93Å; F81-F91 HydrophobicContact CE1-CE1 4.3Å; F81-F91 AromaticContact CE1-CE2 3.83Å; F81-F91 HydrophobicContact CE1-CE2 3.83Å; F81-F91 AromaticContact CE1-CZ 3.64Å; F81-F91 HydrophobicContact CE1-CZ 3.64Å; F81-F91 HydrophobicContact CZ-CE1 4.36Å; F81-F91 HydrophobicContact CZ-CE2 4.33Å; F81-F91 AromaticContact CZ-CZ 3.73Å; F81-F91 HydrophobicContact CZ-CZ 3.73Å; L86-F91 HydrophobicContact CD1-CD1 4.01Å; L86-F91 HydrophobicContact CD2-CD1 3.95Å; L86-F91 HydrophobicContact CD2-CE1 3.89Å; L86-F91 HydrophobicContact CD2-CG 4.47Å; L86-F91 HydrophobicContact CD2-CZ 4.36Å; L86-F91 HydrophobicContact CG-CD1 4.5Å; P87-F91 HydrophobicContact CG-CD2 4.14Å; F91-I93 HydrophobicContact CD1-CG1 4.23Å; F91-I93 HydrophobicContact CE1-CD1 3.95Å; F91-I93 HydrophobicContact CE1-CG1 3.72Å; F91-I93 HydrophobicContact CZ-CG1 4.26Å; F91-I167 HydrophobicContact CB-CB 4.41Å; F91-I167 HydrophobicContact CD1-CD1 3.82Å; F91-I167 PolarHBondContact N-O 3.45Å; F91-I167 WeakPolarHBondContact O-CB 3.37Å; F91-I167 PolarHBondContact O-N 3.12Å; F91-L195 HydrophobicContact CB-CD2 3.89Å; F91-F229 HydrophobicContact CE1-CD1 4.38Å; F91-F229 HydrophobicContact CE2-CB 3.8Å; F91-F229 HydrophobicContact CE2-CD1 4.39Å; F91-F229 HydrophobicContact CE2-CG 4.08Å; F91-F229 HydrophobicContact CZ-CB 3.92Å; F91-F229 AromaticContact CZ-CD1 3.67Å; F91-F229 HydrophobicContact CZ-CD1 3.67Å; F91-F229 HydrophobicContact CZ-CD2 4.11Å; F91-F229 HydrophobicContact CZ-CE1 4.15Å; F91-F229 AromaticContact CZ-CG 3.65Å; F91-F229 HydrophobicContact CZ-CG 3.65Å; F91-H230 WeakPolarHBondContact CD2-O 3.46Å
92	F	90.9	Very high	89.2	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	133.8	-178.9	-170.8	-116	0	0	0	111.5	H94 I165 L166 F229 H230 A235 M239	F92-H94 HydrophobicContact CD1-CB 4.17Å; F92-H94 HydrophobicContact CE1-CB 3.73Å; F92-I165 CarbonylContact C-O 3.55Å; F92-I165 VanDerWaalsContact CA-O 3.29Å; F92-I165 WeakPolarHBondContact CA-O 3.43Å; F92-I165 VanDerWaalsContact CD2-O 3.27Å; F92-I165 WeakPolarHBondContact CD2-O 3.19Å; F92-L166 HydrophobicContact CB-CD1 4.11Å; F92-L166 HydrophobicContact CD2-CB 3.77Å; F92-L166 HydrophobicContact CD2-CD1 3.86Å; F92-L166 HydrophobicContact CD2-CG 4.43Å; F92-L166 HydrophobicContact CE2-CB 4.16Å; F92-L166 HydrophobicContact CG-CD1 4.39Å; F92-F229 CarbonylContact O-C 3.55Å; F92-F229 WeakPolarHBondContact O-CA 3.39Å; F92-H230 HydrophobicContact CB-CB 4.33Å; F92-H230 AromaticContact CD1-CD2 3.99Å; F92-H230 PolarHBondContact N-O 3.22Å; F92-H230 PolarHBondContact O-N 3.13Å; F92-A235 HydrophobicContact CB-CB 3.37Å; F92-A235 HydrophobicContact CD1-CB 3.52Å; F92-A235 HydrophobicContact CD2-CB 4.34Å; F92-A235 HydrophobicContact CE1-CB 4.34Å; F92-A235 VanDerWaalsContact CE1-O 3.29Å; F92-A235 WeakPolarHBondContact CE1-O 3.49Å; F92-A235 HydrophobicContact CG-CB 3.51Å; F92-M239 HydrophobicContact CE1-CB 4.16Å; F92-M239 HydrophobicContact CZ-CB 3.94Å; F92-M239 HydrophobicContact CZ-CG 4.35Å; F92-M239 HydrophobicContact CZ-SD 4.12Å
93	I	92	Very high	88.7	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	125.8	173.6	-49.9	175.9	0	0	0	108	F91 L95 F111 F136 G164 I165 I167 F227 F229	F91-I93 HydrophobicContact CD1-CG1 4.23Å; F91-I93 HydrophobicContact CE1-CD1 3.95Å; F91-I93 HydrophobicContact CE1-CG1 3.72Å; F91-I93 HydrophobicContact CZ-CG1 4.26Å; I93-L95 HydrophobicContact CG2-CD1 3.71Å; I93-F111 HydrophobicContact CD1-CE1 3.82Å; I93-F111 HydrophobicContact CD1-CZ 3.69Å; I93-F111 HydrophobicContact CG2-CE1 4.35Å; I93-F136 HydrophobicContact CD1-CE2 4.05Å; I93-G164 CarbonylContact O-C 3.31Å; I93-G164 WeakPolarHBondContact O-CA 3.41Å; I93-I165 HydrophobicContact CB-CB 4.12Å; I93-I165 HydrophobicContact CB-CD1 4.42Å; I93-I165 HydrophobicContact CB-CG1 4.41Å; I93-I165 PolarHBondContact N-O 3.37Å; I93-I165 PolarHBondContact O-N 2.89Å; I93-I167 HydrophobicContact CD1-CD1 4.35Å; I93-F227 HydrophobicContact CG2-CE2 4.15Å; I93-F229 HydrophobicContact CB-CD1 4.18Å; I93-F229 HydrophobicContact CB-CE1 4.25Å; I93-F229 HydrophobicContact CD1-CE1 4.17Å; I93-F229 HydrophobicContact CG1-CD1 3.85Å; I93-F229 HydrophobicContact CG1-CE1 3.85Å; I93-F229 HydrophobicContact CG2-CD1 3.91Å; I93-F229 HydrophobicContact CG2-CE1 3.67Å
94	H	89.1	Confident	88.2	Confident	16 Å²	16	30.7 Å²	30.7	7%	0.074	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	125.5	179.6	177.3	-138	0	0	0	110.4	F92 H162 L163 F227 S228	F92-H94 HydrophobicContact CD1-CB 4.17Å; F92-H94 HydrophobicContact CE1-CB 3.73Å; H94-H162 AromaticContact CD2-CD2 3.95Å; H94-H162 AromaticContact CD2-NE2 3.79Å; H94-H162 AromaticContact CE1-NE2 3.99Å; H94-H162 AromaticContact NE2-CD2 3.41Å; H94-H162 PolarHBondContact NE2-CD2 2.79Å; H94-H162 AromaticContact NE2-NE2 2.95Å; H94-H162 PolarHBondContact NE2-NE2 3.29Å; H94-L163 CarbonylContact C-O 3.57Å; H94-L163 WeakPolarHBondContact CA-O 3.39Å; H94-F227 CarbonylContact O-C 3.1Å; H94-F227 VanDerWaalsContact O-CA 3.24Å; H94-F227 WeakPolarHBondContact O-CA 3.5Å; H94-S228 PolarHBondContact N-O 3.02Å; H94-S228 PolarHBondContact O-N 3.25Å
95	L	89.7	Confident	87.2	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	146.4	170.8	-52.4	99.6	0	0	0	111.4	I93 F97 L110 L124 L163 A226 F227	I93-L95 HydrophobicContact CG2-CD1 3.71Å; L95-F97 HydrophobicContact CB-CD1 3.66Å; L95-F97 HydrophobicContact CB-CE1 4.04Å; L95-L110 HydrophobicContact CD1-CD1 4.39Å; L95-L110 HydrophobicContact CD2-CB 4.16Å; L95-L110 HydrophobicContact CD2-CD1 4.12Å; L95-L110 HydrophobicContact CD2-CD2 4.25Å; L95-L110 HydrophobicContact CD2-CG 4.41Å; L95-L124 HydrophobicContact CD1-CD2 3.95Å; L95-L163 HydrophobicContact CD1-CD2 4.36Å; L95-L163 PolarHBondContact N-O 2.94Å; L95-L163 PolarHBondContact O-N 3.47Å; L95-A226 CarbonylContact C-O 3.56Å; L95-A226 VanDerWaalsContact CA-O 3.31Å; L95-A226 WeakPolarHBondContact CA-O 3.32Å; L95-F227 HydrophobicContact CD1-CD2 4.38Å; L95-F227 HydrophobicContact CD1-CE2 4.47Å; L95-F227 HydrophobicContact CD2-CB 4.11Å; L95-F227 HydrophobicContact CD2-CD1 3.93Å; L95-F227 HydrophobicContact CD2-CD2 3.54Å; L95-F227 HydrophobicContact CD2-CE1 4.23Å; L95-F227 HydrophobicContact CD2-CE2 3.89Å; L95-F227 HydrophobicContact CD2-CG 3.58Å; L95-F227 HydrophobicContact CD2-CZ 4.23Å; L95-F227 HydrophobicContact CG-CB 4.34Å; L95-F227 HydrophobicContact CG-CD2 3.59Å; L95-F227 HydrophobicContact CG-CE2 4.1Å; L95-F227 HydrophobicContact CG-CG 4.01Å
96	I	86.6	Confident	86.3	Confident	27 Å²	27	41.1 Å²	41.1	14%	0.138	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	111.7	165.2	-52.8	176.1	0	0	0	107.2	Y160 W161 K225 A226	I96-Y160 HydrophobicContact CG2-CD1 4.03Å; I96-Y160 HydrophobicContact CG2-CG 4.22Å; I96-W161 WeakPolarHBondContact CA-O 3.32Å; I96-K225 HydrophobicContact CB-CB 4.18Å; I96-K225 HydrophobicContact CG2-CB 4.05Å; I96-K225 HydrophobicContact CG2-CD 3.94Å; I96-K225 HydrophobicContact CG2-CG 4.31Å; I96-K225 WeakPolarHBondContact O-CA 3.03Å; I96-K225 WeakPolarHBondContact O-CB 3.34Å; I96-K225 PolarHBondContact O-N 3.07Å; I96-A226 HydrophobicContact CB-CB 4.1Å; I96-A226 HydrophobicContact CD1-CB 4.22Å; I96-A226 HydrophobicContact CG1-CB 4.09Å; I96-A226 PolarHBondContact N-O 3.41Å; I96-A226 PolarHBondContact O-N 3.25Å
97	F	88.5	Confident	85.9	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	159.5	-171	64.7	-86	0	0	0	111.6	L95 P99 L110 I126 Y160 W161 L163 F220 Y223 L224	L95-F97 HydrophobicContact CB-CD1 3.66Å; L95-F97 HydrophobicContact CB-CE1 4.04Å; F97-P99 HydrophobicContact CD2-CG 4.41Å; F97-P99 HydrophobicContact CE2-CG 4.28Å; F97-L110 HydrophobicContact CD1-CD2 4.48Å; F97-L110 HydrophobicContact CD2-CD2 4.37Å; F97-L110 HydrophobicContact CE1-CD1 3.86Å; F97-L110 HydrophobicContact CE1-CD2 4.48Å; F97-L110 HydrophobicContact CE2-CD2 4.38Å; F97-L110 HydrophobicContact CG-CD2 4.43Å; F97-L110 HydrophobicContact CZ-CD1 3.86Å; F97-L110 HydrophobicContact CZ-CD2 4.43Å; F97-I126 HydrophobicContact CE2-CD1 3.56Å; F97-I126 HydrophobicContact CZ-CD1 3.64Å; F97-Y160 VanDerWaalsContact C-CD1 3.49Å; F97-W161 HydrophobicContact CD2-CB 4.33Å; F97-W161 HydrophobicContact CE1-CB 4.18Å; F97-W161 HydrophobicContact CE2-CB 3.94Å; F97-W161 HydrophobicContact CE2-CD2 4.15Å; F97-W161 AromaticContact CE2-CE3 3.93Å; F97-W161 HydrophobicContact CE2-CE3 3.93Å; F97-W161 HydrophobicContact CE2-CG 4.2Å; F97-W161 HydrophobicContact CZ-CB 3.86Å; F97-W161 HydrophobicContact CZ-CD2 4.39Å; F97-W161 AromaticContact CZ-CE3 3.89Å; F97-W161 HydrophobicContact CZ-CE3 3.89Å; F97-W161 HydrophobicContact CZ-CG 4.44Å; F97-W161 PolarHBondContact N-O 3.14Å; F97-W161 WeakPolarHBondContact O-CB 3.45Å; F97-W161 PolarHBondContact O-N 2.92Å; F97-L163 HydrophobicContact CE1-CB 4.12Å; F97-L163 HydrophobicContact CE1-CD2 4.37Å; F97-F220 HydrophobicContact CB-CE2 4.19Å; F97-F220 HydrophobicContact CB-CZ 3.98Å; F97-F220 AromaticContact CD2-CE2 3.69Å; F97-F220 HydrophobicContact CD2-CE2 3.69Å; F97-F220 HydrophobicContact CD2-CZ 4.27Å; F97-F220 HydrophobicContact CG-CE2 4.26Å; F97-Y223 CarbonylContact C-O 3.51Å; F97-Y223 VanDerWaalsContact CA-O 3.25Å; F97-Y223 WeakPolarHBondContact CA-O 3.29Å; F97-L224 HydrophobicContact CB-CD1 3.92Å
98	K	88.9	Confident	85.9	Confident	72 Å²	72	40.4 Å²	40.4	31%	0.313	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	106.2	171.1	171.7	171.9	169.4	168.3	0	107.8	D158 Y160 G222 Y223	K98-D158 WeakPolarHBondContact CD-O 3.45Å; K98-D158 WeakPolarHBondContact CE-O 3.33Å; K98-D158 PolarHBondContact NZ-O 2.85Å; K98-Y160 HydrophobicContact CB-CD1 3.89Å; K98-Y160 HydrophobicContact CB-CE1 3.64Å; K98-Y160 HydrophobicContact CB-CG 4.39Å; K98-G222 WeakPolarHBondContact O-CA 3.18Å; K98-Y223 PolarHBondContact N-O 3.25Å; K98-Y223 PolarHBondContact O-N 2.9Å
99	P	87.8	Confident	86.1	Confident	6 Å²	6	38.3 Å²	38.3	4%	0.039	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	151	-175.2	31.9	-34	0	0	0	111.6	F97 I104 L108 W156 W161 F220	F97-P99 HydrophobicContact CD2-CG 4.41Å; F97-P99 HydrophobicContact CE2-CG 4.28Å; P99-I104 HydrophobicContact CB-CD1 3.77Å; P99-I104 HydrophobicContact CB-CG1 4.06Å; P99-I104 HydrophobicContact CG-CD1 3.64Å; P99-I104 HydrophobicContact CG-CG1 4.46Å; P99-L108 HydrophobicContact CB-CD2 4.13Å; P99-W156 HydrophobicContact CG-CH2 4.35Å; P99-W156 HydrophobicContact CG-CZ3 4.35Å; P99-W161 HydrophobicContact CG-CZ2 4.32Å; P99-F220 HydrophobicContact CB-CE2 3.85Å
100	N	86.6	Confident	86.4	Confident	54 Å²	54	30.8 Å²	30.8	29%	0.289	15%	0.152	S	C	.	.			trans	-74.4	125.7	165.1	-173.3	-1.1	0	0	0	109.2	T102 A103 E221	N100-T102 PolarHBondContact ND2-OG1 3.28Å; N100-T102 VanDerWaalsContact ND2-OG1 3.15Å; N100-T102 PolarHBondContact O-N 2.77Å; N100-T102 PolarHBondContact OD1-N 2.94Å; N100-T102 PolarHBondContact OD1-OG1 2.97Å; N100-A103 WeakPolarHBondContact O-CB 3.34Å; N100-A103 PolarHBondContact O-N 3.42Å; N100-E221 HydrophobicContact CB-CB 4.25Å; N100-E221 HydrophobicContact CB-CG 4.22Å; N100-E221 PolarHBondContact N-O 2.98Å; N100-E221 PolarHBondContact ND2-OE1 3Å
101	K	81.5	Confident	86.7	Confident	82 Å²	82	30.7 Å²	30.7	36%	0.357	15%	0.151	S	C	.	.	H	α-helix	trans	-57.9	-34.2	-176.4	-166.2	171.1	-176.1	115.8	0	112.9	A103 Y132 W156	K101-A103 VanDerWaalsContact C-N 3.31Å; K101-A103 PolarHBondContact O-N 3.15Å; K101-Y132 WeakPolarHBondContact CE-OH 3.35Å; K101-Y132 PolarHBondContact NZ-OH 2.95Å; K101-W156 HydrophobicContact CB-CH2 3.76Å; K101-W156 HydrophobicContact CB-CZ2 4.01Å; K101-W156 HydrophobicContact CB-CZ3 4.48Å; K101-W156 HydrophobicContact CD-CH2 4.35Å; K101-W156 HydrophobicContact CD-CZ2 4.05Å; K101-W156 HydrophobicContact CG-CH2 3.98Å; K101-W156 HydrophobicContact CG-CZ2 4.18Å; K101-W156 HydrophobicContact CG-CZ3 4.31Å
102	T	80.2	Confident	86.9	Confident	79 Å²	79	30.7 Å²	30.7	49%	0.485	15%	0.151	S	C	.	.	H	α-helix	trans	-70.4	-23.4	177.4	53.2	0	0	0	0	113.8	N100	N100-T102 PolarHBondContact ND2-OG1 3.28Å; N100-T102 VanDerWaalsContact ND2-OG1 3.15Å; N100-T102 PolarHBondContact O-N 2.77Å; N100-T102 PolarHBondContact OD1-N 2.94Å; N100-T102 PolarHBondContact OD1-OG1 2.97Å
103	A	77.5	Confident	87.2	Confident	15 Å²	15	30.7 Å²	30.7	12%	0.124	15%	0.151	C	C	.	.	H	α-helix	trans	-77	-37.1	178.1	0	0	0	0	0	111.9	N100 K101 Q105 H106 L108 E221	N100-A103 WeakPolarHBondContact O-CB 3.34Å; N100-A103 PolarHBondContact O-N 3.42Å; K101-A103 VanDerWaalsContact C-N 3.31Å; K101-A103 PolarHBondContact O-N 3.15Å; A103-Q105 PolarHBondContact O-N 2.9Å; A103-H106 PolarHBondContact O-N 2.89Å; A103-L108 HydrophobicContact CB-CD2 4.14Å; A103-E221 HydrophobicContact CB-CB 4.03Å
104	I	77.7	Confident	87.4	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-68	-25	-177.2	-48.1	164.5	0	0	0	112.1	P99 H106 G107 L108 I126 E128 Y132 W156	P99-I104 HydrophobicContact CB-CD1 3.77Å; P99-I104 HydrophobicContact CB-CG1 4.06Å; P99-I104 HydrophobicContact CG-CD1 3.64Å; P99-I104 HydrophobicContact CG-CG1 4.46Å; I104-H106 PolarHBondContact O-N 3.11Å; I104-H106 VanDerWaalsContact O-N 3.14Å; I104-G107 PolarHBondContact O-N 2.98Å; I104-L108 HydrophobicContact CG1-CD2 3.64Å; I104-L108 HydrophobicContact CG1-CG 4.32Å; I104-I126 HydrophobicContact CG2-CB 4.39Å; I104-I126 HydrophobicContact CG2-CG2 3.82Å; I104-E128 HydrophobicContact CG2-CB 4.17Å; I104-E128 PolarHBondContact O-N 3.08Å; I104-Y132 HydrophobicContact CD1-CD1 4.12Å; I104-Y132 HydrophobicContact CD1-CE1 4.26Å; I104-Y132 HydrophobicContact CG2-CD1 3.96Å; I104-Y132 HydrophobicContact CG2-CE1 4.45Å; I104-W156 HydrophobicContact CD1-CH2 4.22Å; I104-W156 HydrophobicContact CD1-CZ3 3.6Å
105	Q	73.2	Confident	87.7	Confident	112 Å²	112	31.1 Å²	31.1	52%	0.523	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-20.9	174.5	-76.9	179	-9.4	0	0	114.3	A103 E128	A103-Q105 PolarHBondContact O-N 2.9Å; Q105-E128 WeakPolarHBondContact CG-OE2 3.28Å; Q105-E128 PolarHBondContact NE2-OE2 3.06Å
106	H	74.2	Confident	87.9	Confident	157 Å²	157	35.1 Å²	35.1	73%	0.727	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.6	1.2	175.9	-60.6	-45	0	0	0	112.9	A103 I104	A103-H106 PolarHBondContact O-N 2.89Å; I104-H106 PolarHBondContact O-N 3.11Å; I104-H106 VanDerWaalsContact O-N 3.14Å
107	G	85.8	Confident	88.3	Confident	2 Å²	2	37.8 Å²	37.8	2%	0.021	19%	0.193	C	C	.	.			trans	79	139.5	-164.8	0	0	0	0	0	111.9	I104 I126 E218	I104-G107 PolarHBondContact O-N 2.98Å; G107-I126 WeakPolarHBondContact CA-O 3.18Å; G107-E218 WeakPolarHBondContact O-CB 3.31Å
108	L	91.5	Very high	88.5	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	148.4	169.6	67.4	76	0	0	0	111.6	P99 A103 I104 L110 K125 I126 E218 F220	P99-L108 HydrophobicContact CB-CD2 4.13Å; A103-L108 HydrophobicContact CB-CD2 4.14Å; I104-L108 HydrophobicContact CG1-CD2 3.64Å; I104-L108 HydrophobicContact CG1-CG 4.32Å; L108-L110 HydrophobicContact CD1-CD2 4.28Å; L108-L110 HydrophobicContact CD1-CG 4.41Å; L108-K125 CarbonylContact O-C 3.49Å; L108-K125 WeakPolarHBondContact O-CA 3.49Å; L108-K125 VanDerWaalsContact O-CG 3.27Å; L108-K125 WeakPolarHBondContact O-CG 3.49Å; L108-I126 HydrophobicContact CD1-CB 3.97Å; L108-I126 HydrophobicContact CD1-CD1 4.05Å; L108-I126 HydrophobicContact CD1-CG1 3.92Å; L108-I126 HydrophobicContact CG-CB 4.29Å; L108-I126 PolarHBondContact N-O 2.89Å; L108-I126 PolarHBondContact O-N 3.07Å; L108-E218 CarbonylContact C-O 3.59Å; L108-E218 WeakPolarHBondContact CA-O 3.5Å; L108-F220 HydrophobicContact CD1-CB 4.33Å; L108-F220 HydrophobicContact CD1-CD2 3.89Å; L108-F220 HydrophobicContact CD2-CD2 3.99Å
109	Y	94.6	Very high	88.7	Confident	21 Å²	21	40.7 Å²	40.7	8%	0.082	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	130.1	173.9	-87.8	-94.5	0	0	0	111	F111 K125 L209 N210 E218	Y109-F111 WeakPolarHBondContact CD1-O 3.34Å; Y109-K125 HydrophobicContact CD1-CB 4.2Å; Y109-K125 HydrophobicContact CD2-CD 4.29Å; Y109-K125 HydrophobicContact CD2-CG 4.11Å; Y109-K125 HydrophobicContact CE1-CB 4.07Å; Y109-K125 HydrophobicContact CE2-CB 4.42Å; Y109-K125 HydrophobicContact CE2-CD 3.75Å; Y109-K125 HydrophobicContact CE2-CG 4.03Å; Y109-K125 HydrophobicContact CG-CB 4.45Å; Y109-K125 HydrophobicContact CG-CG 4.44Å; Y109-L209 CarbonylContact O-C 3.48Å; Y109-L209 VanDerWaalsContact O-CA 3.26Å; Y109-L209 WeakPolarHBondContact O-CA 3.5Å; Y109-N210 VanDerWaalsContact CB-C 3.48Å; Y109-N210 WeakPolarHBondContact CB-O 3.29Å; Y109-N210 PolarHBondContact O-N 2.82Å; Y109-E218 HydrophobicContact CD2-CB 3.99Å; Y109-E218 VanDerWaalsContact CE2-OE2 3.28Å; Y109-E218 WeakPolarHBondContact CE2-OE2 3.46Å; Y109-E218 PolarHBondContact N-O 3.39Å
110	L	94.9	Very high	89.1	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	-36.6	168.3	-68.3	176.9	0	0	0	111	L95 F97 L108 L124 I126 L163 L209 F220	L95-L110 HydrophobicContact CD1-CD1 4.39Å; L95-L110 HydrophobicContact CD2-CB 4.16Å; L95-L110 HydrophobicContact CD2-CD1 4.12Å; L95-L110 HydrophobicContact CD2-CD2 4.25Å; L95-L110 HydrophobicContact CD2-CG 4.41Å; F97-L110 HydrophobicContact CD1-CD2 4.48Å; F97-L110 HydrophobicContact CD2-CD2 4.37Å; F97-L110 HydrophobicContact CE1-CD1 3.86Å; F97-L110 HydrophobicContact CE1-CD2 4.48Å; F97-L110 HydrophobicContact CE2-CD2 4.38Å; F97-L110 HydrophobicContact CG-CD2 4.43Å; F97-L110 HydrophobicContact CZ-CD1 3.86Å; F97-L110 HydrophobicContact CZ-CD2 4.43Å; L108-L110 HydrophobicContact CD1-CD2 4.28Å; L108-L110 HydrophobicContact CD1-CG 4.41Å; L110-L124 HydrophobicContact CB-CB 4.36Å; L110-L124 HydrophobicContact CB-CD2 4.03Å; L110-L124 HydrophobicContact CB-CG 4.22Å; L110-L124 HydrophobicContact CD1-CD2 3.59Å; L110-L124 HydrophobicContact CD1-CG 3.99Å; L110-L124 HydrophobicContact CG-CD2 4.43Å; L110-L124 PolarHBondContact N-O 3.09Å; L110-I126 HydrophobicContact CD1-CD1 4.04Å; L110-I126 HydrophobicContact CD1-CG1 4.3Å; L110-I126 HydrophobicContact CG-CD1 4.32Å; L110-I126 HydrophobicContact CG-CG1 4.43Å; L110-L163 HydrophobicContact CD1-CD2 4.43Å; L110-L209 PolarHBondContact O-N 2.92Å; L110-F220 HydrophobicContact CD2-CD2 3.79Å; L110-F220 HydrophobicContact CD2-CE2 4.28Å; L110-F220 HydrophobicContact CD2-CG 4.41Å
111	F	96.4	Very high	89.5	Confident	1 Å²	1	40.7 Å²	40.7	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	162.3	164.1	71.6	-88.9	0	0	0	111.8	I93 Y109 L122 G123 L124 F206 Y207 F227	I93-F111 HydrophobicContact CD1-CE1 3.82Å; I93-F111 HydrophobicContact CD1-CZ 3.69Å; I93-F111 HydrophobicContact CG2-CE1 4.35Å; Y109-F111 WeakPolarHBondContact CD1-O 3.34Å; F111-L122 HydrophobicContact CE2-CD2 3.94Å; F111-L122 HydrophobicContact CE2-CG 3.95Å; F111-L122 HydrophobicContact CZ-CD2 4.38Å; F111-L122 HydrophobicContact CZ-CG 4.43Å; F111-G123 VanDerWaalsContact O-CA 3.29Å; F111-G123 WeakPolarHBondContact O-CA 3.4Å; F111-L124 HydrophobicContact CD1-CB 3.74Å; F111-L124 HydrophobicContact CD1-CD2 4.32Å; F111-L124 HydrophobicContact CE1-CB 3.37Å; F111-L124 HydrophobicContact CE1-CD2 3.91Å; F111-L124 HydrophobicContact CE1-CG 4.3Å; F111-L124 HydrophobicContact CZ-CB 3.96Å; F111-L124 PolarHBondContact O-N 3.1Å; F111-F206 HydrophobicContact CB-CE2 3.73Å; F111-F206 HydrophobicContact CB-CZ 3.85Å; F111-F206 HydrophobicContact CD2-CD2 4.35Å; F111-F206 AromaticContact CD2-CE2 3.7Å; F111-F206 HydrophobicContact CD2-CE2 3.7Å; F111-F206 AromaticContact CG-CE2 3.9Å; F111-F206 HydrophobicContact CG-CE2 3.9Å; F111-F206 HydrophobicContact CG-CZ 4.38Å; F111-Y207 CarbonylContact C-O 3.6Å; F111-Y207 WeakPolarHBondContact CA-O 3.38Å; F111-Y207 VanDerWaalsContact CB-O 3.28Å; F111-Y207 WeakPolarHBondContact CB-O 3.39Å; F111-F227 HydrophobicContact CB-CE1 4.35Å; F111-F227 HydrophobicContact CB-CZ 3.95Å; F111-F227 HydrophobicContact CD1-CE2 4.39Å; F111-F227 AromaticContact CD1-CZ 3.86Å; F111-F227 HydrophobicContact CD1-CZ 3.86Å; F111-F227 HydrophobicContact CG-CZ 4.19Å
112	S	97.1	Very high	90.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	159.4	166	76.8	0	0	0	0	112	L122 F206 Y207 S211	S112-L122 CarbonylContact C-O 3.33Å; S112-L122 WeakPolarHBondContact CA-O 3.4Å; S112-F206 CarbonylContact O-C 3.5Å; S112-F206 WeakPolarHBondContact O-CA 3.27Å; S112-Y207 PolarHBondContact N-O 3.5Å; S112-Y207 PolarHBondContact O-N 3.29Å; S112-S211 VanDerWaalsContact OG-C 3.26Å; S112-S211 PolarHBondContact OG-O 3.08Å
113	I	97.2	Very high	91	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	126.2	164.5	-61.3	177.3	0	0	0	106.7	A77 F81 R121 L122 L199 F200 T205 F206	A77-I113 HydrophobicContact CB-CG2 3.99Å; F81-I113 HydrophobicContact CD2-CD1 4.2Å; F81-I113 HydrophobicContact CE2-CD1 3.81Å; I113-R121 HydrophobicContact CG2-CB 4.28Å; I113-R121 PolarHBondContact O-N 3.24Å; I113-L122 HydrophobicContact CB-CB 4.19Å; I113-L122 HydrophobicContact CD1-CB 4.1Å; I113-L122 HydrophobicContact CD1-CD2 4.13Å; I113-L122 HydrophobicContact CG1-CB 4.28Å; I113-L122 PolarHBondContact N-O 2.93Å; I113-L122 PolarHBondContact O-N 3.15Å; I113-L199 HydrophobicContact CD1-CD2 4.25Å; I113-F200 HydrophobicContact CD1-CD1 4.41Å; I113-F200 HydrophobicContact CD1-CE1 4.45Å; I113-F200 HydrophobicContact CG2-CB 4.12Å; I113-F200 HydrophobicContact CG2-CD1 3.85Å; I113-F200 HydrophobicContact CG2-CG 4.12Å; I113-T205 WeakPolarHBondContact CA-O 3.32Å; I113-F206 HydrophobicContact CD1-CD2 4.28Å; I113-F206 HydrophobicContact CG1-CB 4.26Å; I113-F206 HydrophobicContact CG1-CD2 3.75Å; I113-F206 HydrophobicContact CG1-CG 4.5Å
114	R	96.4	Very high	91.9	Very high	21 Å²	21	32.3 Å²	32.3	8%	0.079	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	143.4	174.9	-61.8	-175.7	-179	-87.4	-5.6	111.9	N118 V119 L120 A204 T205 Y207 S211	R114-N118 WeakPolarHBondContact CD-O 3.32Å; R114-N118 PolarHBondContact NH1-O 3.39Å; R114-V119 VanDerWaalsContact CA-O 3.25Å; R114-V119 WeakPolarHBondContact CA-O 3.38Å; R114-L120 HydrophobicContact CG-CD1 4.32Å; R114-A204 CarbonylContact O-C 3.42Å; R114-A204 WeakPolarHBondContact O-CA 3.44Å; R114-A204 VanDerWaalsContact O-CB 3.25Å; R114-A204 WeakPolarHBondContact O-CB 3.41Å; R114-T205 PolarHBondContact N-O 3.2Å; R114-T205 PolarHBondContact O-N 2.84Å; R114-Y207 HydrophobicContact CB-CE2 4.17Å; R114-Y207 HydrophobicContact CG-CE2 4.4Å; R114-S211 PolarHBondContact NE-O 2.91Å; R114-S211 PolarHBondContact NH2-O 3.36Å
115	D	95.9	Very high	92.6	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.021	17%	0.174	C	C	.	.			trans	-66.8	165.6	164.5	-79.5	-15.8	0	0	0	111.2	D117 N118 V119 R121 R201	D115-D117 WeakPolarHBondContact CB-OD1 3.18Å; D115-D117 PolarHBondContact O-N 3.08Å; D115-D117 VanDerWaalsContact O-N 3.1Å; D115-N118 WeakPolarHBondContact O-CA 3.46Å; D115-N118 PolarHBondContact O-N 2.69Å; D115-V119 HydrophobicContact CB-CB 4.42Å; D115-V119 PolarHBondContact N-O 3.37Å; D115-R121 IonicContact OD1-NE 2.9Å; D115-R121 IonicContact OD2-CZ 3.89Å; D115-R121 VanDerWaalsContact OD2-CZ 3.28Å; D115-R121 IonicContact OD2-NE 3.17Å; D115-R121 PolarHBondContact OD2-NE 3.21Å; D115-R121 IonicContact OD2-NH2 2.99Å; D115-R121 PolarHBondContact OD2-NH2 3.09Å; D115-R201 VanDerWaalsContact CB-NH2 3.3Å; D115-R201 PolarHBondContact OD1-N 3.32Å; D115-R201 IonicContact OD2-CZ 2.7Å; D115-R201 IonicContact OD2-NE 3.25Å; D115-R201 PolarHBondContact OD2-NE 2.9Å; D115-R201 IonicContact OD2-NH2 2.91Å; D115-R201 PolarHBondContact OD2-NH2 2.89Å
116	P	94.1	Very high	93.5	Very high	85 Å²	85	28.9 Å²	28.9	55%	0.552	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-22.4	179	-28.1	36.5	0	0	0	116.1	N118	P116-N118 VanDerWaalsContact C-N 3.28Å
117	D	93.4	Very high	94	Very high	82 Å²	82	22.6 Å²	22.6	44%	0.439	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	14.4	173.7	54.2	15.2	0	0	0	113.3	D115 V119 R201	D115-D117 WeakPolarHBondContact CB-OD1 3.18Å; D115-D117 PolarHBondContact O-N 3.08Å; D115-D117 VanDerWaalsContact O-N 3.1Å; D117-V119 PolarHBondContact O-N 3.37Å; D117-V119 VanDerWaalsContact OD1-CG2 3.32Å; D117-V119 WeakPolarHBondContact OD1-CG2 3.22Å; D117-V119 PolarHBondContact OD1-N 2.82Å; D117-R201 IonicContact OD1-CZ 2.76Å; D117-R201 IonicContact OD1-NH2 2.8Å; D117-R201 PolarHBondContact OD1-NH2 3.37Å; D117-R201 IonicContact OD2-CZ 2.83Å; D117-R201 VanDerWaalsContact OD2-CZ 3.25Å; D117-R201 IonicContact OD2-NH1 3.89Å; D117-R201 PolarHBondContact OD2-NH1 3.48Å; D117-R201 IonicContact OD2-NH2 3.7Å; D117-R201 PolarHBondContact OD2-NH2 3.03Å
118	N	93.1	Very high	93.8	Very high	79 Å²	79	25.1 Å²	25.1	42%	0.422	13%	0.132	S	C	.	.			trans	68.2	7.9	-179.7	-53.7	-85.9	0	0	0	115.7	R114 D115 P116 L120 L213	R114-N118 WeakPolarHBondContact CD-O 3.32Å; R114-N118 PolarHBondContact NH1-O 3.39Å; D115-N118 WeakPolarHBondContact O-CA 3.46Å; D115-N118 PolarHBondContact O-N 2.69Å; P116-N118 VanDerWaalsContact C-N 3.28Å; N118-L120 PolarHBondContact O-N 3.18Å; N118-L213 HydrophobicContact CB-CD2 3.88Å
119	V	93.9	Very high	92.8	Very high	55 Å²	55	32 Å²	32	33%	0.333	16%	0.159	S	C	.	.			trans	-60.5	123.4	173	172.8	0	0	0	0	109.9	R114 D115 D117 R121	R114-V119 VanDerWaalsContact CA-O 3.25Å; R114-V119 WeakPolarHBondContact CA-O 3.38Å; D115-V119 HydrophobicContact CB-CB 4.42Å; D115-V119 PolarHBondContact N-O 3.37Å; D117-V119 PolarHBondContact O-N 3.37Å; D117-V119 VanDerWaalsContact OD1-CG2 3.32Å; D117-V119 WeakPolarHBondContact OD1-CG2 3.22Å; D117-V119 PolarHBondContact OD1-N 2.82Å; V119-R121 PolarHBondContact O-N 3.07Å
120	L	95.1	Very high	91.4	Very high	33 Å²	33	37.5 Å²	37.5	17%	0.173	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	128.3	175.8	-173.7	66.6	0	0	0	109.9	R114 N118 L122 A137 N139	R114-L120 HydrophobicContact CG-CD1 4.32Å; N118-L120 PolarHBondContact O-N 3.18Å; L120-L122 WeakPolarHBondContact CD1-O 3.43Å; L120-A137 HydrophobicContact CD2-CB 4.1Å; L120-N139 WeakPolarHBondContact O-CB 3.43Å; L120-N139 PolarHBondContact O-ND2 2.7Å
121	R	95.8	Very high	90.1	Very high	26 Å²	26	40 Å²	40	10%	0.098	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	-36.8	179.8	-66.4	-56.9	-173.1	-179.4	-4.2	113.2	I113 D115 V119 Y138 N139 P140 L141 L199 F200	I113-R121 HydrophobicContact CG2-CB 4.28Å; I113-R121 PolarHBondContact O-N 3.24Å; D115-R121 IonicContact OD1-NE 2.9Å; D115-R121 IonicContact OD2-CZ 3.89Å; D115-R121 VanDerWaalsContact OD2-CZ 3.28Å; D115-R121 IonicContact OD2-NE 3.17Å; D115-R121 PolarHBondContact OD2-NE 3.21Å; D115-R121 IonicContact OD2-NH2 2.99Å; D115-R121 PolarHBondContact OD2-NH2 3.09Å; V119-R121 PolarHBondContact O-N 3.07Å; R121-Y138 WeakPolarHBondContact O-CA 3.45Å; R121-N139 WeakPolarHBondContact CD-O 3.42Å; R121-N139 PolarHBondContact NH1-O 2.77Å; R121-N139 PolarHBondContact O-N 2.92Å; R121-P140 PolarHBondContact NH1-O 3.39Å; R121-L141 VanDerWaalsContact CZ-CD2 3.41Å; R121-L199 HydrophobicContact CB-CD1 4.47Å; R121-L199 HydrophobicContact CB-CG 4.45Å; R121-L199 WeakPolarHBondContact CB-O 3.44Å; R121-L199 VanDerWaalsContact CD-O 3.28Å; R121-L199 WeakPolarHBondContact CD-O 3.18Å; R121-L199 WeakPolarHBondContact CG-O 3.49Å; R121-L199 WeakPolarHBondContact O-CD1 3.47Å; R121-F200 HydrophobicContact CB-CB 4.23Å; R121-F200 HydrophobicContact CG-CB 4.02Å
122	L	96.3	Very high	89.1	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	147.4	172.6	-165.5	66.7	0	0	0	108.5	L86 F111 S112 I113 L120 F136 A137 L194 L199	L86-L122 HydrophobicContact CD1-CD2 4.43Å; L86-L122 HydrophobicContact CD2-CD2 4.28Å; F111-L122 HydrophobicContact CE2-CD2 3.94Å; F111-L122 HydrophobicContact CE2-CG 3.95Å; F111-L122 HydrophobicContact CZ-CD2 4.38Å; F111-L122 HydrophobicContact CZ-CG 4.43Å; S112-L122 CarbonylContact C-O 3.33Å; S112-L122 WeakPolarHBondContact CA-O 3.4Å; I113-L122 HydrophobicContact CB-CB 4.19Å; I113-L122 HydrophobicContact CD1-CB 4.1Å; I113-L122 HydrophobicContact CD1-CD2 4.13Å; I113-L122 HydrophobicContact CG1-CB 4.28Å; I113-L122 PolarHBondContact N-O 2.93Å; I113-L122 PolarHBondContact O-N 3.15Å; L120-L122 WeakPolarHBondContact CD1-O 3.43Å; L122-F136 HydrophobicContact CD1-CE1 4.15Å; L122-F136 HydrophobicContact CD1-CE2 4.33Å; L122-F136 HydrophobicContact CD1-CZ 3.7Å; L122-A137 CarbonylContact C-O 3.59Å; L122-A137 VanDerWaalsContact CA-O 3.32Å; L122-A137 WeakPolarHBondContact CA-O 3.42Å; L122-L194 HydrophobicContact CD1-CD1 4.14Å; L122-L199 HydrophobicContact CB-CD1 4.46Å; L122-L199 HydrophobicContact CB-CD2 4.11Å; L122-L199 HydrophobicContact CD2-CD2 4.01Å
123	G	96.4	Very high	88.1	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.5	157.9	171.9	0	0	0	0	0	113.9	F111 F136 A137	F111-G123 VanDerWaalsContact O-CA 3.29Å; F111-G123 WeakPolarHBondContact O-CA 3.4Å; G123-F136 WeakPolarHBondContact O-CA 3.41Å; G123-A137 PolarHBondContact N-O 3.22Å; G123-A137 PolarHBondContact O-N 3.43Å
124	L	96.2	Very high	87.6	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	112.2	176.5	-177.6	66.4	0	0	0	108.6	L95 L110 F111 I134 I135 F136 L163 I165	L95-L124 HydrophobicContact CD1-CD2 3.95Å; L110-L124 HydrophobicContact CB-CB 4.36Å; L110-L124 HydrophobicContact CB-CD2 4.03Å; L110-L124 HydrophobicContact CB-CG 4.22Å; L110-L124 HydrophobicContact CD1-CD2 3.59Å; L110-L124 HydrophobicContact CD1-CG 3.99Å; L110-L124 HydrophobicContact CG-CD2 4.43Å; L110-L124 PolarHBondContact N-O 3.09Å; F111-L124 HydrophobicContact CD1-CB 3.74Å; F111-L124 HydrophobicContact CD1-CD2 4.32Å; F111-L124 HydrophobicContact CE1-CB 3.37Å; F111-L124 HydrophobicContact CE1-CD2 3.91Å; F111-L124 HydrophobicContact CE1-CG 4.3Å; F111-L124 HydrophobicContact CZ-CB 3.96Å; F111-L124 PolarHBondContact O-N 3.1Å; L124-I134 HydrophobicContact CD1-CG2 3.43Å; L124-I134 VanDerWaalsContact CD1-CG2 3.43Å; L124-I134 HydrophobicContact CG-CG2 4.4Å; L124-I135 WeakPolarHBondContact CA-O 3.38Å; L124-F136 HydrophobicContact CD1-CB 4.32Å; L124-F136 HydrophobicContact CD1-CD2 4.28Å; L124-L163 HydrophobicContact CD2-CD2 4.13Å; L124-I165 HydrophobicContact CD1-CD1 3.8Å; L124-I165 HydrophobicContact CD2-CD1 3.66Å; L124-I165 HydrophobicContact CG-CD1 4.38Å
125	K	93.7	Very high	87.3	Confident	39 Å²	39	42.1 Å²	42.1	17%	0.17	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	149.7	-177	-169.4	-179.5	-175.7	167.6	0	110.6	L108 Y109 I134 I135 E218	L108-K125 CarbonylContact O-C 3.49Å; L108-K125 WeakPolarHBondContact O-CA 3.49Å; L108-K125 VanDerWaalsContact O-CG 3.27Å; L108-K125 WeakPolarHBondContact O-CG 3.49Å; Y109-K125 HydrophobicContact CD1-CB 4.2Å; Y109-K125 HydrophobicContact CD2-CD 4.29Å; Y109-K125 HydrophobicContact CD2-CG 4.11Å; Y109-K125 HydrophobicContact CE1-CB 4.07Å; Y109-K125 HydrophobicContact CE2-CB 4.42Å; Y109-K125 HydrophobicContact CE2-CD 3.75Å; Y109-K125 HydrophobicContact CE2-CG 4.03Å; Y109-K125 HydrophobicContact CG-CB 4.45Å; Y109-K125 HydrophobicContact CG-CG 4.44Å; K125-I134 WeakPolarHBondContact O-CA 3.45Å; K125-I135 HydrophobicContact CB-CB 4.42Å; K125-I135 PolarHBondContact N-O 3.41Å; K125-I135 PolarHBondContact O-N 3.12Å; K125-E218 WeakPolarHBondContact CE-OE1 3.36Å; K125-E218 IonicContact NZ-OE1 3.83Å; K125-E218 PolarHBondContact NZ-OE1 3.46Å; K125-E218 IonicContact NZ-OE2 2.67Å
126	I	91.1	Very high	87.2	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	136.9	165.7	-44.7	-175.4	0	0	0	108.5	F97 I104 G107 L108 L110 Q133 I134 W161	F97-I126 HydrophobicContact CE2-CD1 3.56Å; F97-I126 HydrophobicContact CZ-CD1 3.64Å; I104-I126 HydrophobicContact CG2-CB 4.39Å; I104-I126 HydrophobicContact CG2-CG2 3.82Å; G107-I126 WeakPolarHBondContact CA-O 3.18Å; L108-I126 HydrophobicContact CD1-CB 3.97Å; L108-I126 HydrophobicContact CD1-CD1 4.05Å; L108-I126 HydrophobicContact CD1-CG1 3.92Å; L108-I126 HydrophobicContact CG-CB 4.29Å; L108-I126 PolarHBondContact N-O 2.89Å; L108-I126 PolarHBondContact O-N 3.07Å; L110-I126 HydrophobicContact CD1-CD1 4.04Å; L110-I126 HydrophobicContact CD1-CG1 4.3Å; L110-I126 HydrophobicContact CG-CD1 4.32Å; L110-I126 HydrophobicContact CG-CG1 4.43Å; I126-Q133 WeakPolarHBondContact CA-O 3.24Å; I126-I134 HydrophobicContact CD1-CD1 4.16Å; I126-I134 HydrophobicContact CD1-CG1 4.47Å; I126-I134 HydrophobicContact CG1-CD1 4.27Å; I126-I134 HydrophobicContact CG1-CG1 4.14Å; I126-I134 HydrophobicContact CG2-CG1 4.37Å; I126-W161 HydrophobicContact CD1-CE3 4.42Å; I126-W161 HydrophobicContact CD1-CZ3 4.17Å; I126-W161 HydrophobicContact CG2-CZ3 4.27Å
127	I	85.8	Confident	87.3	Confident	26 Å²	26	38.1 Å²	38.1	13%	0.133	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	146.9	177.5	-173	162.9	0	0	0	111	Y129 Y132 Q133 I135	I127-Y129 HydrophobicContact CB-CE2 4.5Å; I127-Y129 HydrophobicContact CD1-CE1 4.24Å; I127-Y129 HydrophobicContact CD1-CE2 4.12Å; I127-Y129 HydrophobicContact CG1-CD2 4.46Å; I127-Y129 HydrophobicContact CG1-CE2 4.25Å; I127-Y129 HydrophobicContact CG2-CD2 3.82Å; I127-Y129 HydrophobicContact CG2-CE2 3.48Å; I127-Y129 VanDerWaalsContact CG2-CE2 3.48Å; I127-Y132 WeakPolarHBondContact O-CA 3.34Å; I127-Q133 HydrophobicContact CG2-CB 4.16Å; I127-Q133 PolarHBondContact N-O 2.79Å; I127-Q133 PolarHBondContact O-N 3.39Å; I127-I135 HydrophobicContact CG2-CD1 3.78Å; I127-I135 HydrophobicContact CG2-CG1 4.41Å
128	E	81.7	Confident	87.3	Confident	55 Å²	55	34.6 Å²	34.6	26%	0.257	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	119.8	173.7	-176.3	170.9	-139.6	0	0	109.5	I104 Q105 Y132	I104-E128 HydrophobicContact CG2-CB 4.17Å; I104-E128 PolarHBondContact O-N 3.08Å; Q105-E128 WeakPolarHBondContact CG-OE2 3.28Å; Q105-E128 PolarHBondContact NE2-OE2 3.06Å; E128-Y132 HydrophobicContact CB-CD1 4Å; E128-Y132 HydrophobicContact CB-CE1 3.84Å; E128-Y132 VanDerWaalsContact CD-CE1 3.49Å; E128-Y132 HydrophobicContact CG-CD1 4.18Å; E128-Y132 HydrophobicContact CG-CE1 3.66Å; E128-Y132 VanDerWaalsContact OE1-CE1 3.31Å; E128-Y132 WeakPolarHBondContact OE1-CE1 3.42Å; E128-Y132 PolarHBondContact OE1-OH 2.69Å
129	Y	69.6	Low	87.4	Confident	143 Å²	143	31.4 Å²	31.4	56%	0.561	16%	0.159	S	C	*	.	S	Bend	trans	-116.8	-99.4	169.6	-70.3	-72.3	0	0	0	109.5	I127 T131 Q133	I127-Y129 HydrophobicContact CB-CE2 4.5Å; I127-Y129 HydrophobicContact CD1-CE1 4.24Å; I127-Y129 HydrophobicContact CD1-CE2 4.12Å; I127-Y129 HydrophobicContact CG1-CD2 4.46Å; I127-Y129 HydrophobicContact CG1-CE2 4.25Å; I127-Y129 HydrophobicContact CG2-CD2 3.82Å; I127-Y129 HydrophobicContact CG2-CE2 3.48Å; I127-Y129 VanDerWaalsContact CG2-CE2 3.48Å; Y129-T131 PolarHBondContact N-O 2.95Å; Y129-Q133 HydrophobicContact CD2-CB 4.48Å; Y129-Q133 HydrophobicContact CD2-CG 4.26Å; Y129-Q133 VanDerWaalsContact CE2-OE1 3.3Å
130	T	65.6	Low	87.4	Confident	138 Å²	138	28.8 Å²	28.8	85%	0.847	14%	0.143	S	C	*	.	S	Bend	trans	-95.9	-25.9	165.2	50.5	0	0	0	0	111.9
131	T	66.6	Low	87.3	Confident	52 Å²	52	30.5 Å²	30.5	32%	0.319	15%	0.152	S	C	.	.	S	Bend	trans	-128	171.2	171.1	49.9	0	0	0	0	108.6	Y129 Q133 S153	Y129-T131 PolarHBondContact N-O 2.95Å; T131-Q133 PolarHBondContact O-N 3.38Å; T131-S153 PolarHBondContact OG1-OG 3Å
132	Y	75.4	Confident	87	Confident	17 Å²	17	32.2 Å²	32.2	7%	0.067	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	115	167.6	-56.3	-82.7	0	0	0	108.3	K101 I104 I127 E128 S153 I154 W156 W161	K101-Y132 WeakPolarHBondContact CE-OH 3.35Å; K101-Y132 PolarHBondContact NZ-OH 2.95Å; I104-Y132 HydrophobicContact CD1-CD1 4.12Å; I104-Y132 HydrophobicContact CD1-CE1 4.26Å; I104-Y132 HydrophobicContact CG2-CD1 3.96Å; I104-Y132 HydrophobicContact CG2-CE1 4.45Å; I127-Y132 WeakPolarHBondContact O-CA 3.34Å; E128-Y132 HydrophobicContact CB-CD1 4Å; E128-Y132 HydrophobicContact CB-CE1 3.84Å; E128-Y132 VanDerWaalsContact CD-CE1 3.49Å; E128-Y132 HydrophobicContact CG-CD1 4.18Å; E128-Y132 HydrophobicContact CG-CE1 3.66Å; E128-Y132 VanDerWaalsContact OE1-CE1 3.31Å; E128-Y132 WeakPolarHBondContact OE1-CE1 3.42Å; E128-Y132 PolarHBondContact OE1-OH 2.69Å; Y132-S153 WeakPolarHBondContact O-CA 3.39Å; Y132-I154 PolarHBondContact O-N 3.07Å; Y132-W156 HydrophobicContact CD1-CE3 4.22Å; Y132-W156 HydrophobicContact CD1-CZ3 4.44Å; Y132-W156 HydrophobicContact CD2-CB 4.16Å; Y132-W156 AromaticContact CD2-CE3 3.93Å; Y132-W156 HydrophobicContact CD2-CE3 3.93Å; Y132-W156 AromaticContact CE1-CE3 3.81Å; Y132-W156 HydrophobicContact CE1-CE3 3.81Å; Y132-W156 HydrophobicContact CE1-CZ3 4.06Å; Y132-W156 HydrophobicContact CE2-CB 3.66Å; Y132-W156 HydrophobicContact CE2-CD2 4.08Å; Y132-W156 AromaticContact CE2-CE3 3.54Å; Y132-W156 HydrophobicContact CE2-CE3 3.54Å; Y132-W156 HydrophobicContact CE2-CG 4.16Å; Y132-W156 HydrophobicContact CG-CE3 4.27Å; Y132-W156 AromaticContact CZ-CE3 3.46Å; Y132-W156 VanDerWaalsContact CZ-CE3 3.46Å; Y132-W161 HydrophobicContact CG-CH2 4.01Å
133	Q	77.6	Confident	86.6	Confident	35 Å²	35	33.9 Å²	33.9	16%	0.164	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	129.7	179.9	-66.7	-175.9	-8	0	0	109.5	I126 I127 Y129 T131 F152	I126-Q133 WeakPolarHBondContact CA-O 3.24Å; I127-Q133 HydrophobicContact CG2-CB 4.16Å; I127-Q133 PolarHBondContact N-O 2.79Å; I127-Q133 PolarHBondContact O-N 3.39Å; Y129-Q133 HydrophobicContact CD2-CB 4.48Å; Y129-Q133 HydrophobicContact CD2-CG 4.26Å; Y129-Q133 VanDerWaalsContact CE2-OE1 3.3Å; T131-Q133 PolarHBondContact O-N 3.38Å; Q133-F152 WeakPolarHBondContact CA-O 3.3Å
134	I	85.7	Confident	85.6	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	124.4	166.9	-60.2	-158	0	0	0	107.6	L124 K125 I126 E151 F152 I154 W161 L163	L124-I134 HydrophobicContact CD1-CG2 3.43Å; L124-I134 VanDerWaalsContact CD1-CG2 3.43Å; L124-I134 HydrophobicContact CG-CG2 4.4Å; K125-I134 WeakPolarHBondContact O-CA 3.45Å; I126-I134 HydrophobicContact CD1-CD1 4.16Å; I126-I134 HydrophobicContact CD1-CG1 4.47Å; I126-I134 HydrophobicContact CG1-CD1 4.27Å; I126-I134 HydrophobicContact CG1-CG1 4.14Å; I126-I134 HydrophobicContact CG2-CG1 4.37Å; I134-E151 WeakPolarHBondContact O-CA 3.31Å; I134-F152 HydrophobicContact CB-CD1 4.03Å; I134-F152 HydrophobicContact CB-CE1 3.51Å; I134-F152 HydrophobicContact CB-CE2 4.44Å; I134-F152 HydrophobicContact CB-CZ 3.76Å; I134-F152 HydrophobicContact CD1-CZ 4.16Å; I134-F152 HydrophobicContact CG1-CZ 4.29Å; I134-F152 HydrophobicContact CG2-CD1 4.34Å; I134-F152 HydrophobicContact CG2-CE1 3.51Å; I134-F152 HydrophobicContact CG2-CZ 3.92Å; I134-F152 PolarHBondContact N-O 3.35Å; I134-F152 PolarHBondContact O-N 3.01Å; I134-I154 HydrophobicContact CD1-CD1 3.48Å; I134-I154 VanDerWaalsContact CD1-CD1 3.48Å; I134-I154 HydrophobicContact CD1-CG1 4.44Å; I134-I154 HydrophobicContact CG1-CD1 3.93Å; I134-I154 HydrophobicContact CG1-CG1 4.38Å; I134-W161 HydrophobicContact CD1-CE3 4.43Å; I134-W161 HydrophobicContact CD1-CZ3 4.3Å; I134-L163 HydrophobicContact CD1-CD2 3.79Å
135	I	90.8	Very high	84.3	Confident	14 Å²	14	44 Å²	44	7%	0.072	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	115.7	-177.5	-54	179.8	0	0	0	107.7	L124 K125 I127 E149 E151	L124-I135 WeakPolarHBondContact CA-O 3.38Å; K125-I135 HydrophobicContact CB-CB 4.42Å; K125-I135 PolarHBondContact N-O 3.41Å; K125-I135 PolarHBondContact O-N 3.12Å; I127-I135 HydrophobicContact CG2-CD1 3.78Å; I127-I135 HydrophobicContact CG2-CG1 4.41Å; I135-E149 HydrophobicContact CG2-CB 4.18Å; I135-E151 HydrophobicContact CG1-CG 4.11Å; I135-E151 HydrophobicContact CG2-CG 4.29Å
136	F	93.9	Very high	83.5	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	107.6	171.6	-179.1	-87.5	0	0	0	108.9	I93 L122 G123 L124 Y138 E149 V150 I165 I167 I172 F174 L194	I93-F136 HydrophobicContact CD1-CE2 4.05Å; L122-F136 HydrophobicContact CD1-CE1 4.15Å; L122-F136 HydrophobicContact CD1-CE2 4.33Å; L122-F136 HydrophobicContact CD1-CZ 3.7Å; G123-F136 WeakPolarHBondContact O-CA 3.41Å; L124-F136 HydrophobicContact CD1-CB 4.32Å; L124-F136 HydrophobicContact CD1-CD2 4.28Å; F136-Y138 HydrophobicContact CD1-CD1 4.17Å; F136-Y138 HydrophobicContact CE1-CD1 4.06Å; F136-Y138 HydrophobicContact CE1-CG 4.43Å; F136-E149 WeakPolarHBondContact O-CA 3.16Å; F136-V150 HydrophobicContact CB-CB 4.46Å; F136-V150 PolarHBondContact N-O 3.49Å; F136-V150 PolarHBondContact O-N 3.29Å; F136-I165 HydrophobicContact CD2-CD1 4.48Å; F136-I167 HydrophobicContact CE2-CD1 4.06Å; F136-I167 HydrophobicContact CZ-CD1 3.67Å; F136-I167 HydrophobicContact CZ-CG1 4.45Å; F136-I172 HydrophobicContact CD1-CD1 3.56Å; F136-I172 HydrophobicContact CD2-CD1 4.11Å; F136-I172 HydrophobicContact CE1-CD1 3.62Å; F136-I172 HydrophobicContact CE2-CD1 4.15Å; F136-I172 HydrophobicContact CG-CD1 3.81Å; F136-I172 HydrophobicContact CZ-CD1 3.91Å; F136-F174 HydrophobicContact CB-CE1 4.39Å; F136-F174 HydrophobicContact CB-CZ 4.14Å; F136-L194 HydrophobicContact CE1-CD2 3.73Å; F136-L194 HydrophobicContact CZ-CD2 4.05Å
137	A	94.8	Very high	83.3	Confident	5 Å²	5	51.5 Å²	51.5	4%	0.041	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	135.1	-175.9	0	0	0	0	0	111	L120 L122 G123 E149	L120-A137 HydrophobicContact CD2-CB 4.1Å; L122-A137 CarbonylContact C-O 3.59Å; L122-A137 VanDerWaalsContact CA-O 3.32Å; L122-A137 WeakPolarHBondContact CA-O 3.42Å; G123-A137 PolarHBondContact N-O 3.22Å; G123-A137 PolarHBondContact O-N 3.43Å; A137-E149 HydrophobicContact CB-CG 3.89Å; A137-E149 WeakPolarHBondContact CB-OE1 3.15Å
138	Y	95.2	Very high	83.5	Confident	8 Å²	8	53.7 Å²	53.7	3%	0.031	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	139.3	178.6	70.3	-77.9	0	0	0	113	R121 F136 P140 F143 K148 V150 I191 L194	R121-Y138 WeakPolarHBondContact O-CA 3.45Å; F136-Y138 HydrophobicContact CD1-CD1 4.17Å; F136-Y138 HydrophobicContact CE1-CD1 4.06Å; F136-Y138 HydrophobicContact CE1-CG 4.43Å; Y138-P140 HydrophobicContact CD2-CG 4.28Å; Y138-F143 HydrophobicContact CD2-CE2 4.04Å; Y138-F143 HydrophobicContact CD2-CZ 4.27Å; Y138-F143 AromaticContact CE2-CE2 3.84Å; Y138-F143 HydrophobicContact CE2-CE2 3.84Å; Y138-F143 AromaticContact CE2-CZ 3.81Å; Y138-F143 HydrophobicContact CE2-CZ 3.81Å; Y138-K148 HydrophobicContact CD1-CB 4.05Å; Y138-K148 VanDerWaalsContact CD1-O 3.31Å; Y138-K148 WeakPolarHBondContact CD1-O 3.29Å; Y138-K148 HydrophobicContact CE1-CB 3.53Å; Y138-K148 HydrophobicContact CE2-CB 4.1Å; Y138-K148 HydrophobicContact CE2-CD 4.13Å; Y138-K148 PolarHBondContact N-O 2.95Å; Y138-K148 PolarHBondContact O-N 3.12Å; Y138-K148 WeakPolarHBondContact OH-CD 3.44Å; Y138-V150 HydrophobicContact CE1-CG2 4.28Å; Y138-I191 HydrophobicContact CE1-CG2 4.12Å; Y138-I191 WeakPolarHBondContact OH-CB 3.39Å; Y138-L194 HydrophobicContact CD1-CD2 4.46Å; Y138-L194 HydrophobicContact CD2-CB 4.06Å; Y138-L194 HydrophobicContact CD2-CD1 3.84Å; Y138-L194 HydrophobicContact CD2-CD2 4.03Å; Y138-L194 HydrophobicContact CD2-CG 4.18Å; Y138-L194 HydrophobicContact CE2-CB 4.09Å; Y138-L194 HydrophobicContact CE2-CD2 4.39Å; Y138-L194 HydrophobicContact CG-CD1 4.15Å; Y138-L194 HydrophobicContact CG-CD2 4.06Å
139	N	94.9	Very high	84	Confident	12 Å²	12	56.3 Å²	56.3	6%	0.064	31%	0.311	C	S	.	.			trans	-147.8	68.8	-175.2	-173.3	23.1	0	0	0	111.9	L120 R121	L120-N139 WeakPolarHBondContact O-CB 3.43Å; L120-N139 PolarHBondContact O-ND2 2.7Å; R121-N139 WeakPolarHBondContact CD-O 3.42Å; R121-N139 PolarHBondContact NH1-O 2.77Å; R121-N139 PolarHBondContact O-N 2.92Å
140	P	93.6	Very high	84.8	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.006	29%	0.288	C	S	.	.			trans	-45.8	157.9	172.3	-26.2	29.6	0	0	0	114.6	R121 Y138 S142 F143 G193 E197	R121-P140 PolarHBondContact NH1-O 3.39Å; Y138-P140 HydrophobicContact CD2-CG 4.28Å; P140-S142 PolarHBondContact O-N 2.69Å; P140-F143 HydrophobicContact CB-CD1 4.39Å; P140-F143 HydrophobicContact CB-CE1 4.47Å; P140-F143 HydrophobicContact CG-CD1 4.39Å; P140-F143 HydrophobicContact CG-CD2 4.42Å; P140-F143 HydrophobicContact CG-CE1 4.09Å; P140-F143 HydrophobicContact CG-CE2 4.13Å; P140-F143 HydrophobicContact CG-CZ 3.94Å; P140-F143 PolarHBondContact O-N 3.01Å; P140-F143 VanDerWaalsContact O-N 3.16Å; P140-G193 WeakPolarHBondContact CG-O 3.25Å; P140-E197 HydrophobicContact CB-CB 4.4Å
141	L	93	Very high	85.6	Confident	68 Å²	68	47.8 Å²	47.8	36%	0.356	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-18.3	176.8	-56.9	-171.5	0	0	0	113.1	R121 P198 R201	R121-L141 VanDerWaalsContact CZ-CD2 3.41Å; L141-P198 HydrophobicContact CB-CB 4.33Å; L141-P198 WeakPolarHBondContact CB-O 3.02Å; L141-P198 HydrophobicContact CD1-CB 4.04Å; L141-P198 HydrophobicContact CG-CB 4.32Å; L141-P198 WeakPolarHBondContact CG-O 3.4Å; L141-P198 PolarHBondContact N-O 3.44Å; L141-R201 HydrophobicContact CD1-CG 4.31Å; L141-R201 HydrophobicContact CD2-CG 4.2Å
142	S	88.8	Confident	85.8	Confident	63 Å²	63	45.6 Å²	45.6	44%	0.441	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	0.5	176.3	47	0	0	0	0	114.3	P140 E197	P140-S142 PolarHBondContact O-N 2.69Å; S142-E197 WeakPolarHBondContact CB-OE2 3.05Å; S142-E197 PolarHBondContact OG-OE2 3.31Å
143	F	87.4	Confident	85.4	Confident	34 Å²	34	46.8 Å²	46.8	15%	0.149	26%	0.264	C	S	.	.	S	Bend	trans	-95.3	138.7	171.3	-68.3	5	0	0	0	110.7	Y138 P140 G145 N146 K148	Y138-F143 HydrophobicContact CD2-CE2 4.04Å; Y138-F143 HydrophobicContact CD2-CZ 4.27Å; Y138-F143 AromaticContact CE2-CE2 3.84Å; Y138-F143 HydrophobicContact CE2-CE2 3.84Å; Y138-F143 AromaticContact CE2-CZ 3.81Å; Y138-F143 HydrophobicContact CE2-CZ 3.81Å; P140-F143 HydrophobicContact CB-CD1 4.39Å; P140-F143 HydrophobicContact CB-CE1 4.47Å; P140-F143 HydrophobicContact CG-CD1 4.39Å; P140-F143 HydrophobicContact CG-CD2 4.42Å; P140-F143 HydrophobicContact CG-CE1 4.09Å; P140-F143 HydrophobicContact CG-CE2 4.13Å; P140-F143 HydrophobicContact CG-CZ 3.94Å; P140-F143 PolarHBondContact O-N 3.01Å; P140-F143 VanDerWaalsContact O-N 3.16Å; F143-G145 PolarHBondContact O-N 3.4Å; F143-N146 VanDerWaalsContact CD2-O 3.29Å; F143-N146 WeakPolarHBondContact CD2-O 3.34Å; F143-K148 HydrophobicContact CD2-CD 4.47Å; F143-K148 HydrophobicContact CD2-CG 4.32Å; F143-K148 HydrophobicContact CE2-CB 4.21Å; F143-K148 HydrophobicContact CE2-CD 3.51Å; F143-K148 HydrophobicContact CE2-CG 3.67Å; F143-K148 HydrophobicContact CZ-CD 3.77Å; F143-K148 HydrophobicContact CZ-CG 4.43Å
144	D	76.8	Confident	84.8	Confident	160 Å²	160	46.1 Å²	46.1	86%	0.856	26%	0.261	S	S	*	.	S	Bend	trans	-73	49.2	178.6	-62.5	-50.9	0	0	0	113.1	N146	D144-N146 PolarHBondContact O-N 2.78Å
145	G	69.2	Low	83.7	Confident	55 Å²	55	50.2 Å²	50.2	57%	0.567	29%	0.288	S	S	*	.	S	Bend	trans	77.9	-13.2	-177	0	0	0	0	0	115.5	F143 S147	F143-G145 PolarHBondContact O-N 3.4Å; G145-S147 PolarHBondContact O-N 2.87Å
146	N	76	Confident	82.8	Confident	127 Å²	127	52.7 Å²	52.7	68%	0.679	30%	0.297	S	S	*	.			trans	-75	89.7	177.4	-69.7	-36.5	0	0	0	111.6	F143 D144	F143-N146 VanDerWaalsContact CD2-O 3.29Å; F143-N146 WeakPolarHBondContact CD2-O 3.34Å; D144-N146 PolarHBondContact O-N 2.78Å
147	S	86.4	Confident	81.6	Confident	69 Å²	69	56.2 Å²	56.2	48%	0.483	32%	0.315	S	S	.	.			trans	-57.4	137.1	167.9	51	0	0	0	0	111.3	G145	G145-S147 PolarHBondContact O-N 2.87Å
148	K	91.5	Very high	80.5	Confident	72 Å²	72	61.3 Å²	61.3	31%	0.313	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	140.1	171.8	-67	-179.4	-172.3	173.7	0	109.2	Y138 F143	Y138-K148 HydrophobicContact CD1-CB 4.05Å; Y138-K148 VanDerWaalsContact CD1-O 3.31Å; Y138-K148 WeakPolarHBondContact CD1-O 3.29Å; Y138-K148 HydrophobicContact CE1-CB 3.53Å; Y138-K148 HydrophobicContact CE2-CB 4.1Å; Y138-K148 HydrophobicContact CE2-CD 4.13Å; Y138-K148 PolarHBondContact N-O 2.95Å; Y138-K148 PolarHBondContact O-N 3.12Å; Y138-K148 WeakPolarHBondContact OH-CD 3.44Å; F143-K148 HydrophobicContact CD2-CD 4.47Å; F143-K148 HydrophobicContact CD2-CG 4.32Å; F143-K148 HydrophobicContact CE2-CB 4.21Å; F143-K148 HydrophobicContact CE2-CD 3.51Å; F143-K148 HydrophobicContact CE2-CG 3.67Å; F143-K148 HydrophobicContact CZ-CD 3.77Å; F143-K148 HydrophobicContact CZ-CG 4.43Å
149	E	91.2	Very high	79.6	Confident	110 Å²	110	65.6 Å²	65.6	51%	0.514	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	142.8	179.8	-58.8	-168.8	126	0	0	109.7	I135 F136 A137	I135-E149 HydrophobicContact CG2-CB 4.18Å; F136-E149 WeakPolarHBondContact O-CA 3.16Å; A137-E149 HydrophobicContact CB-CG 3.89Å; A137-E149 WeakPolarHBondContact CB-OE1 3.15Å
150	V	87.5	Confident	78.9	Confident	12 Å²	12	67.4 Å²	67.4	7%	0.073	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	112.6	176.9	177.1	0	0	0	0	107.7	F136 Y138 I172 F174 Y189 I191	F136-V150 HydrophobicContact CB-CB 4.46Å; F136-V150 PolarHBondContact N-O 3.49Å; F136-V150 PolarHBondContact O-N 3.29Å; Y138-V150 HydrophobicContact CE1-CG2 4.28Å; V150-I172 HydrophobicContact CG1-CG2 4.11Å; V150-I172 HydrophobicContact CG2-CG2 4.38Å; V150-F174 HydrophobicContact CG1-CE2 3.67Å; V150-F174 HydrophobicContact CG1-CZ 3.93Å; V150-Y189 HydrophobicContact CG1-CD1 3.85Å; V150-Y189 HydrophobicContact CG1-CD2 3.39Å; V150-Y189 HydrophobicContact CG1-CE1 4.24Å; V150-Y189 HydrophobicContact CG1-CE2 3.85Å; V150-Y189 HydrophobicContact CG1-CG 3.4Å; V150-Y189 VanDerWaalsContact CG1-CG 3.4Å; V150-I191 HydrophobicContact CG2-CG2 4.15Å
151	E	81.7	Confident	78.4	Confident	90 Å²	90	67.9 Å²	67.9	42%	0.421	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	133.5	-174	-52.8	-170.7	133.5	0	0	111.2	I134 I135 Y189	I134-E151 WeakPolarHBondContact O-CA 3.31Å; I135-E151 HydrophobicContact CG1-CG 4.11Å; I135-E151 HydrophobicContact CG2-CG 4.29Å; E151-Y189 PolarHBondContact O-OH 3.29Å
152	F	71.5	Confident	77.9	Confident	5 Å²	5	66.8 Å²	66.8	2%	0.022	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	148.5	171.5	72.8	-78.3	0	0	0	112.3	Q133 I134 I154 L163 F174 Y186 H187 Y189	Q133-F152 WeakPolarHBondContact CA-O 3.3Å; I134-F152 HydrophobicContact CB-CD1 4.03Å; I134-F152 HydrophobicContact CB-CE1 3.51Å; I134-F152 HydrophobicContact CB-CE2 4.44Å; I134-F152 HydrophobicContact CB-CZ 3.76Å; I134-F152 HydrophobicContact CD1-CZ 4.16Å; I134-F152 HydrophobicContact CG1-CZ 4.29Å; I134-F152 HydrophobicContact CG2-CD1 4.34Å; I134-F152 HydrophobicContact CG2-CE1 3.51Å; I134-F152 HydrophobicContact CG2-CZ 3.92Å; I134-F152 PolarHBondContact N-O 3.35Å; I134-F152 PolarHBondContact O-N 3.01Å; F152-I154 HydrophobicContact CD2-CD1 4.42Å; F152-I154 HydrophobicContact CD2-CG1 3.97Å; F152-I154 HydrophobicContact CE2-CD1 3.6Å; F152-I154 HydrophobicContact CE2-CG1 3.64Å; F152-I154 HydrophobicContact CZ-CD1 4.15Å; F152-L163 HydrophobicContact CZ-CD1 3.96Å; F152-F174 HydrophobicContact CD1-CD1 4.01Å; F152-F174 HydrophobicContact CD1-CD2 4.04Å; F152-F174 HydrophobicContact CD1-CE1 4.03Å; F152-F174 HydrophobicContact CD1-CE2 4.06Å; F152-F174 HydrophobicContact CD1-CG 4.01Å; F152-F174 HydrophobicContact CD1-CZ 4.04Å; F152-F174 HydrophobicContact CE1-CB 4.23Å; F152-F174 AromaticContact CE1-CD1 3.2Å; F152-F174 HydrophobicContact CE1-CD1 3.2Å; F152-F174 HydrophobicContact CE1-CD2 4.05Å; F152-F174 AromaticContact CE1-CE1 3.36Å; F152-F174 HydrophobicContact CE1-CE1 3.36Å; F152-F174 HydrophobicContact CE1-CE2 4.18Å; F152-F174 AromaticContact CE1-CG 3.57Å; F152-F174 HydrophobicContact CE1-CG 3.57Å; F152-F174 AromaticContact CE1-CZ 3.86Å; F152-F174 HydrophobicContact CE1-CZ 3.86Å; F152-F174 HydrophobicContact CE2-CB 4.1Å; F152-F174 HydrophobicContact CE2-CD1 4.45Å; F152-F174 HydrophobicContact CE2-CG 4.31Å; F152-F174 HydrophobicContact CZ-CB 3.89Å; F152-F174 AromaticContact CZ-CD1 3.47Å; F152-F174 HydrophobicContact CZ-CD1 3.47Å; F152-F174 VanDerWaalsContact CZ-CD1 3.47Å; F152-F174 HydrophobicContact CZ-CE1 4.1Å; F152-F174 AromaticContact CZ-CG 3.73Å; F152-F174 HydrophobicContact CZ-CG 3.73Å; F152-Y186 AromaticContact CD2-CD1 3.97Å; F152-Y186 HydrophobicContact CD2-CD1 3.97Å; F152-Y186 AromaticContact CD2-CE1 3.93Å; F152-Y186 HydrophobicContact CD2-CE1 3.93Å; F152-Y186 HydrophobicContact CE2-CD1 4.13Å; F152-Y186 HydrophobicContact CE2-CE1 4.33Å; F152-H187 AromaticContact CD2-CD2 3.93Å; F152-Y189 HydrophobicContact CB-CE2 4.14Å; F152-Y189 VanDerWaalsContact CB-OH 3.28Å; F152-Y189 WeakPolarHBondContact CB-OH 3.42Å
153	S	67	Low	77.8	Confident	42 Å²	42	64 Å²	64	29%	0.294	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	133.2	-178.4	-70.5	0	0	0	0	111.9	T131 Y132 Y186	T131-S153 PolarHBondContact OG1-OG 3Å; Y132-S153 WeakPolarHBondContact O-CA 3.39Å; S153-Y186 WeakPolarHBondContact O-CE1 3.48Å; S153-Y186 PolarHBondContact O-OH 3.36Å
154	I	64.6	Low	77.8	Confident	21 Å²	21	62.3 Å²	62.3	11%	0.108	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	137.7	169.2	-47.6	-175.4	0	0	0	108.3	Y132 I134 F152 W161 T176 Y186	Y132-I154 PolarHBondContact O-N 3.07Å; I134-I154 HydrophobicContact CD1-CD1 3.48Å; I134-I154 VanDerWaalsContact CD1-CD1 3.48Å; I134-I154 HydrophobicContact CD1-CG1 4.44Å; I134-I154 HydrophobicContact CG1-CD1 3.93Å; I134-I154 HydrophobicContact CG1-CG1 4.38Å; F152-I154 HydrophobicContact CD2-CD1 4.42Å; F152-I154 HydrophobicContact CD2-CG1 3.97Å; F152-I154 HydrophobicContact CE2-CD1 3.6Å; F152-I154 HydrophobicContact CE2-CG1 3.64Å; F152-I154 HydrophobicContact CZ-CD1 4.15Å; I154-W161 HydrophobicContact CD1-CE3 4.36Å; I154-W161 HydrophobicContact CD1-CZ3 4.37Å; I154-T176 HydrophobicContact CD1-CG2 4.02Å; I154-Y186 HydrophobicContact CG1-CE1 4.32Å
155	P	62.9	Low	78.5	Confident	86 Å²	86	54.7 Å²	54.7	56%	0.558	30%	0.298	S	S	*	.			trans	-61.9	158.9	167.5	27.4	-35.6	0	0	0	111.4	N157	P155-N157 PolarHBondContact O-N 3.32Å
156	W	71.2	Confident	79.4	Confident	67 Å²	67	52.7 Å²	52.7	25%	0.254	28%	0.275	S	S	.	.			trans	-61.9	135.8	171	-172.4	-112.2	0	0	0	110.4	P99 K101 I104 Y132 D158 W161	P99-W156 HydrophobicContact CG-CH2 4.35Å; P99-W156 HydrophobicContact CG-CZ3 4.35Å; K101-W156 HydrophobicContact CB-CH2 3.76Å; K101-W156 HydrophobicContact CB-CZ2 4.01Å; K101-W156 HydrophobicContact CB-CZ3 4.48Å; K101-W156 HydrophobicContact CD-CH2 4.35Å; K101-W156 HydrophobicContact CD-CZ2 4.05Å; K101-W156 HydrophobicContact CG-CH2 3.98Å; K101-W156 HydrophobicContact CG-CZ2 4.18Å; K101-W156 HydrophobicContact CG-CZ3 4.31Å; I104-W156 HydrophobicContact CD1-CH2 4.22Å; I104-W156 HydrophobicContact CD1-CZ3 3.6Å; Y132-W156 HydrophobicContact CD1-CE3 4.22Å; Y132-W156 HydrophobicContact CD1-CZ3 4.44Å; Y132-W156 HydrophobicContact CD2-CB 4.16Å; Y132-W156 AromaticContact CD2-CE3 3.93Å; Y132-W156 HydrophobicContact CD2-CE3 3.93Å; Y132-W156 AromaticContact CE1-CE3 3.81Å; Y132-W156 HydrophobicContact CE1-CE3 3.81Å; Y132-W156 HydrophobicContact CE1-CZ3 4.06Å; Y132-W156 HydrophobicContact CE2-CB 3.66Å; Y132-W156 HydrophobicContact CE2-CD2 4.08Å; Y132-W156 AromaticContact CE2-CE3 3.54Å; Y132-W156 HydrophobicContact CE2-CE3 3.54Å; Y132-W156 HydrophobicContact CE2-CG 4.16Å; Y132-W156 HydrophobicContact CG-CE3 4.27Å; Y132-W156 AromaticContact CZ-CE3 3.46Å; Y132-W156 VanDerWaalsContact CZ-CE3 3.46Å; W156-D158 PolarHBondContact NE1-OD1 3.48Å; W156-D158 PolarHBondContact NE1-OD2 3.3Å; W156-W161 AromaticContact CE3-CZ2 3.74Å; W156-W161 HydrophobicContact CE3-CZ2 3.74Å; W156-W161 AromaticContact CZ3-CZ2 3.81Å; W156-W161 HydrophobicContact CZ3-CZ2 3.81Å
157	N	67.8	Low	80.2	Confident	74 Å²	74	46.7 Å²	46.7	40%	0.396	24%	0.242	S	C	.	.			trans	-125.3	129.6	163.5	-174.7	8.2	0	0	0	108.4	P155 D159 W161	P155-N157 PolarHBondContact O-N 3.32Å; N157-D159 VanDerWaalsContact C-N 3.29Å; N157-D159 PolarHBondContact OD1-N 3.3Å; N157-W161 PolarHBondContact O-NE1 3.14Å
158	D	72.6	Confident	80.4	Confident	111 Å²	111	46 Å²	46	59%	0.594	23%	0.231	S	C	*	.	S	Bend	trans	-79	-10	173.6	-76.3	-61	0	0	0	112.9	K98 W156	K98-D158 WeakPolarHBondContact CD-O 3.45Å; K98-D158 WeakPolarHBondContact CE-O 3.33Å; K98-D158 PolarHBondContact NZ-O 2.85Å; W156-D158 PolarHBondContact NE1-OD1 3.48Å; W156-D158 PolarHBondContact NE1-OD2 3.3Å
159	D	77.3	Confident	80.4	Confident	98 Å²	98	46.2 Å²	46.2	52%	0.524	24%	0.239	S	C	.	.	S	Bend	trans	-95.5	-168.2	170.9	-160.8	5.8	0	0	0	111.8	N157 W161	N157-D159 VanDerWaalsContact C-N 3.29Å; N157-D159 PolarHBondContact OD1-N 3.3Å; D159-W161 PolarHBondContact O-N 3.36Å
160	Y	78.9	Confident	80.4	Confident	51 Å²	51	44.4 Å²	44.4	20%	0.2	23%	0.233	C	C	.	.			trans	-65.7	130.1	176.2	-76	-84.5	0	0	0	112.8	P61 I96 F97 K98 Y223 K225	P61-Y160 HydrophobicContact CB-CE1 4.4Å; P61-Y160 WeakPolarHBondContact CB-OH 3.3Å; P61-Y160 VanDerWaalsContact CG-OH 3.26Å; P61-Y160 WeakPolarHBondContact CG-OH 3.42Å; I96-Y160 HydrophobicContact CG2-CD1 4.03Å; I96-Y160 HydrophobicContact CG2-CG 4.22Å; F97-Y160 VanDerWaalsContact C-CD1 3.49Å; K98-Y160 HydrophobicContact CB-CD1 3.89Å; K98-Y160 HydrophobicContact CB-CE1 3.64Å; K98-Y160 HydrophobicContact CB-CG 4.39Å; Y160-Y223 VanDerWaalsContact OH-CB 3.25Å; Y160-Y223 WeakPolarHBondContact OH-CB 3.36Å; Y160-K225 HydrophobicContact CD1-CB 4.29Å; Y160-K225 HydrophobicContact CD1-CD 4.48Å; Y160-K225 HydrophobicContact CE1-CB 4.2Å
161	W	82.8	Confident	80.6	Confident	11 Å²	11	46.6 Å²	46.6	4%	0.042	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	125	167	-63.6	31.6	0	0	0	107.5	I96 F97 P99 I126 Y132 I134 I154 W156 N157 D159	I96-W161 WeakPolarHBondContact CA-O 3.32Å; F97-W161 HydrophobicContact CD2-CB 4.33Å; F97-W161 HydrophobicContact CE1-CB 4.18Å; F97-W161 HydrophobicContact CE2-CB 3.94Å; F97-W161 HydrophobicContact CE2-CD2 4.15Å; F97-W161 AromaticContact CE2-CE3 3.93Å; F97-W161 HydrophobicContact CE2-CE3 3.93Å; F97-W161 HydrophobicContact CE2-CG 4.2Å; F97-W161 HydrophobicContact CZ-CB 3.86Å; F97-W161 HydrophobicContact CZ-CD2 4.39Å; F97-W161 AromaticContact CZ-CE3 3.89Å; F97-W161 HydrophobicContact CZ-CE3 3.89Å; F97-W161 HydrophobicContact CZ-CG 4.44Å; F97-W161 PolarHBondContact N-O 3.14Å; F97-W161 WeakPolarHBondContact O-CB 3.45Å; F97-W161 PolarHBondContact O-N 2.92Å; P99-W161 HydrophobicContact CG-CZ2 4.32Å; I126-W161 HydrophobicContact CD1-CE3 4.42Å; I126-W161 HydrophobicContact CD1-CZ3 4.17Å; I126-W161 HydrophobicContact CG2-CZ3 4.27Å; Y132-W161 HydrophobicContact CG-CH2 4.01Å; I134-W161 HydrophobicContact CD1-CE3 4.43Å; I134-W161 HydrophobicContact CD1-CZ3 4.3Å; I154-W161 HydrophobicContact CD1-CE3 4.36Å; I154-W161 HydrophobicContact CD1-CZ3 4.37Å; W156-W161 AromaticContact CE3-CZ2 3.74Å; W156-W161 HydrophobicContact CE3-CZ2 3.74Å; W156-W161 AromaticContact CZ3-CZ2 3.81Å; W156-W161 HydrophobicContact CZ3-CZ2 3.81Å; N157-W161 PolarHBondContact O-NE1 3.14Å; D159-W161 PolarHBondContact O-N 3.36Å
162	H	83.5	Confident	81	Confident	44 Å²	44	42.3 Å²	42.3	20%	0.204	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	99.2	-177.4	-172.7	-179.2	0	0	0	108.5	H94 T176 M239	H94-H162 AromaticContact CD2-CD2 3.95Å; H94-H162 AromaticContact CD2-NE2 3.79Å; H94-H162 AromaticContact CE1-NE2 3.99Å; H94-H162 AromaticContact NE2-CD2 3.41Å; H94-H162 PolarHBondContact NE2-CD2 2.79Å; H94-H162 AromaticContact NE2-NE2 2.95Å; H94-H162 PolarHBondContact NE2-NE2 3.29Å; H162-T176 CarbonylContact O-C 3.46Å; H162-T176 VanDerWaalsContact O-CA 3.24Å; H162-T176 WeakPolarHBondContact O-CA 3.26Å; H162-M239 PolarHBondContact CE1-O 3.37Å; H162-M239 WeakPolarHBondContact NE2-CG 3.34Å; H162-M239 PolarHBondContact NE2-O 3.38Å; H162-M239 WeakPolarHBondContact O-CE 3.33Å
163	L	86	Confident	81.7	Confident	4 Å²	4	44.7 Å²	44.7	2%	0.021	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	117.6	-170.7	-179.7	58.6	0	0	0	111.1	H94 L95 F97 L110 L124 I134 F152 I165 Y175	H94-L163 CarbonylContact C-O 3.57Å; H94-L163 WeakPolarHBondContact CA-O 3.39Å; L95-L163 HydrophobicContact CD1-CD2 4.36Å; L95-L163 PolarHBondContact N-O 2.94Å; L95-L163 PolarHBondContact O-N 3.47Å; F97-L163 HydrophobicContact CE1-CB 4.12Å; F97-L163 HydrophobicContact CE1-CD2 4.37Å; L110-L163 HydrophobicContact CD1-CD2 4.43Å; L124-L163 HydrophobicContact CD2-CD2 4.13Å; I134-L163 HydrophobicContact CD1-CD2 3.79Å; F152-L163 HydrophobicContact CZ-CD1 3.96Å; L163-I165 HydrophobicContact CD1-CG1 4.09Å; L163-I165 HydrophobicContact CD2-CD1 4.14Å; L163-I165 HydrophobicContact CD2-CG1 4.37Å; L163-I165 HydrophobicContact CG-CD1 4.29Å; L163-I165 HydrophobicContact CG-CG1 3.98Å; L163-Y175 WeakPolarHBondContact CA-O 3.48Å
164	G	87.6	Confident	82.5	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	139.1	163.6	0	0	0	0	0	110.5	I93 F174 Y175	I93-G164 CarbonylContact O-C 3.31Å; I93-G164 WeakPolarHBondContact O-CA 3.41Å; G164-F174 CarbonylContact O-C 3.57Å; G164-F174 WeakPolarHBondContact O-CA 3.48Å; G164-Y175 PolarHBondContact N-O 2.7Å; G164-Y175 PolarHBondContact O-N 3.39Å
165	I	90.6	Very high	83.2	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	104.9	176	-44.7	180	0	0	0	107.8	F92 I93 L124 F136 L163 I167 I172 Y173 F174	F92-I165 CarbonylContact C-O 3.55Å; F92-I165 VanDerWaalsContact CA-O 3.29Å; F92-I165 WeakPolarHBondContact CA-O 3.43Å; F92-I165 VanDerWaalsContact CD2-O 3.27Å; F92-I165 WeakPolarHBondContact CD2-O 3.19Å; I93-I165 HydrophobicContact CB-CB 4.12Å; I93-I165 HydrophobicContact CB-CD1 4.42Å; I93-I165 HydrophobicContact CB-CG1 4.41Å; I93-I165 PolarHBondContact N-O 3.37Å; I93-I165 PolarHBondContact O-N 2.89Å; L124-I165 HydrophobicContact CD1-CD1 3.8Å; L124-I165 HydrophobicContact CD2-CD1 3.66Å; L124-I165 HydrophobicContact CG-CD1 4.38Å; F136-I165 HydrophobicContact CD2-CD1 4.48Å; L163-I165 HydrophobicContact CD1-CG1 4.09Å; L163-I165 HydrophobicContact CD2-CD1 4.14Å; L163-I165 HydrophobicContact CD2-CG1 4.37Å; L163-I165 HydrophobicContact CG-CD1 4.29Å; L163-I165 HydrophobicContact CG-CG1 3.98Å; I165-I167 HydrophobicContact CG2-CG1 4.3Å; I165-I172 HydrophobicContact CG2-CD1 3.62Å; I165-I172 HydrophobicContact CG2-CG1 3.64Å; I165-Y173 CarbonylContact C-O 3.51Å; I165-Y173 WeakPolarHBondContact CA-O 3.05Å; I165-F174 HydrophobicContact CB-CD1 4.33Å; I165-F174 HydrophobicContact CB-CE1 4.43Å; I165-F174 HydrophobicContact CD1-CD1 4.29Å; I165-F174 HydrophobicContact CD1-CE1 4.05Å; I165-F174 HydrophobicContact CG1-CD1 3.9Å; I165-F174 HydrophobicContact CG1-CE1 4.1Å; I165-F174 HydrophobicContact CG2-CD1 3.85Å; I165-F174 HydrophobicContact CG2-CE1 3.6Å; I165-F174 HydrophobicContact CG2-CZ 4.35Å
166	L	89.2	Confident	83.6	Confident	13 Å²	13	40.5 Å²	40.5	7%	0.068	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	116.2	176.7	-173.9	67.2	0	0	0	109.7	T90 F92 K168 I172 Y173 Y175	T90-L166 WeakPolarHBondContact OG1-CD1 3.42Å; F92-L166 HydrophobicContact CB-CD1 4.11Å; F92-L166 HydrophobicContact CD2-CB 3.77Å; F92-L166 HydrophobicContact CD2-CD1 3.86Å; F92-L166 HydrophobicContact CD2-CG 4.43Å; F92-L166 HydrophobicContact CE2-CB 4.16Å; F92-L166 HydrophobicContact CG-CD1 4.39Å; L166-K168 HydrophobicContact CG-CG 4.41Å; L166-I172 CarbonylContact O-C 3.49Å; L166-I172 WeakPolarHBondContact O-CA 3.38Å; L166-Y173 PolarHBondContact N-O 2.92Å; L166-Y173 PolarHBondContact O-N 3.08Å; L166-Y175 HydrophobicContact CB-CE2 3.89Å
167	I	92.8	Very high	83.3	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	122.1	178	-59.5	154	0	0	0	107	T90 F91 I93 F136 I165 I172 I191 L194 L195	T90-I167 WeakPolarHBondContact CA-O 3.49Å; F91-I167 HydrophobicContact CB-CB 4.41Å; F91-I167 HydrophobicContact CD1-CD1 3.82Å; F91-I167 PolarHBondContact N-O 3.45Å; F91-I167 WeakPolarHBondContact O-CB 3.37Å; F91-I167 PolarHBondContact O-N 3.12Å; I93-I167 HydrophobicContact CD1-CD1 4.35Å; F136-I167 HydrophobicContact CE2-CD1 4.06Å; F136-I167 HydrophobicContact CZ-CD1 3.67Å; F136-I167 HydrophobicContact CZ-CG1 4.45Å; I165-I167 HydrophobicContact CG2-CG1 4.3Å; I167-I172 HydrophobicContact CD1-CD1 4.38Å; I167-I172 HydrophobicContact CG1-CD1 3.77Å; I167-I172 HydrophobicContact CG1-CG1 3.79Å; I167-I191 HydrophobicContact CG2-CD1 3.71Å; I167-L194 HydrophobicContact CG2-CD2 4.01Å; I167-L194 HydrophobicContact CG2-CG 4.43Å; I167-L195 HydrophobicContact CB-CD2 4.3Å; I167-L195 HydrophobicContact CG2-CD1 4.35Å; I167-L195 HydrophobicContact CG2-CD2 3.57Å; I167-L195 HydrophobicContact CG2-CG 3.89Å
168	K	91.2	Very high	83	Confident	55 Å²	55	38.7 Å²	38.7	24%	0.239	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	168	170.2	-65.9	-148.9	172.9	-151.2	0	108.8	L166 D170 K171 Y173 E233	L166-K168 HydrophobicContact CG-CG 4.41Å; K168-D170 VanDerWaalsContact C-N 3.27Å; K168-D170 PolarHBondContact O-N 3.46Å; K168-D170 VanDerWaalsContact O-N 3.1Å; K168-K171 PolarHBondContact N-O 3.04Å; K168-K171 PolarHBondContact O-N 2.7Å; K168-K171 VanDerWaalsContact O-O 3.08Å; K168-Y173 HydrophobicContact CB-CE2 4.41Å; K168-Y173 HydrophobicContact CG-CE2 4.36Å; K168-E233 IonicContact NZ-OE1 3.5Å; K168-E233 PolarHBondContact NZ-OE1 3.07Å
169	P	90.7	Very high	82.1	Confident	76 Å²	76	40 Å²	40	49%	0.494	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-29.9	-167.2	-28.2	37.1	0	0	0	115.5	E89 L195	E89-P169 WeakPolarHBondContact O-CD 3.08Å; P169-L195 HydrophobicContact CG-CD1 4.21Å
170	D	91.1	Very high	80.5	Confident	73 Å²	73	42.1 Å²	42.1	39%	0.39	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107	-14.3	-179.8	76.5	-45.6	0	0	0	114.5	K168 S190 I191	K168-D170 VanDerWaalsContact C-N 3.27Å; K168-D170 PolarHBondContact O-N 3.46Å; K168-D170 VanDerWaalsContact O-N 3.1Å; D170-S190 CarbonylContact O-C 3.59Å; D170-S190 VanDerWaalsContact O-CA 3.3Å; D170-S190 WeakPolarHBondContact O-CA 3.37Å; D170-I191 CarbonylContact C-O 3.59Å; D170-I191 PolarHBondContact O-N 3.41Å; D170-I191 VanDerWaalsContact O-O 3.12Å
171	K	91.1	Very high	78.7	Confident	57 Å²	57	45.2 Å²	45.2	25%	0.248	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	142.6	-166.9	-78.5	175.1	-170.8	108.5	0	113.6	K168 Y173 F188 Y189	K168-K171 PolarHBondContact N-O 3.04Å; K168-K171 PolarHBondContact O-N 2.7Å; K168-K171 VanDerWaalsContact O-O 3.08Å; K171-Y173 HydrophobicContact CB-CD2 4.25Å; K171-Y173 HydrophobicContact CB-CE2 3.55Å; K171-Y173 HydrophobicContact CD-CE1 4.41Å; K171-Y173 HydrophobicContact CD-CE2 4.39Å; K171-Y173 VanDerWaalsContact CD-OH 3.28Å; K171-Y173 WeakPolarHBondContact CD-OH 3.39Å; K171-F188 HydrophobicContact CD-CD2 4.46Å; K171-Y189 VanDerWaalsContact CA-O 3.27Å; K171-Y189 WeakPolarHBondContact CA-O 3.11Å
172	I	90.9	Very high	76.9	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	135.9	165.8	-169	165.6	0	0	0	109.2	F136 V150 I165 L166 I167 F174 F188 Y189 I191	F136-I172 HydrophobicContact CD1-CD1 3.56Å; F136-I172 HydrophobicContact CD2-CD1 4.11Å; F136-I172 HydrophobicContact CE1-CD1 3.62Å; F136-I172 HydrophobicContact CE2-CD1 4.15Å; F136-I172 HydrophobicContact CG-CD1 3.81Å; F136-I172 HydrophobicContact CZ-CD1 3.91Å; V150-I172 HydrophobicContact CG1-CG2 4.11Å; V150-I172 HydrophobicContact CG2-CG2 4.38Å; I165-I172 HydrophobicContact CG2-CD1 3.62Å; I165-I172 HydrophobicContact CG2-CG1 3.64Å; L166-I172 CarbonylContact O-C 3.49Å; L166-I172 WeakPolarHBondContact O-CA 3.38Å; I167-I172 HydrophobicContact CD1-CD1 4.38Å; I167-I172 HydrophobicContact CG1-CD1 3.77Å; I167-I172 HydrophobicContact CG1-CG1 3.79Å; I172-F174 HydrophobicContact CD1-CE1 4.13Å; I172-F174 HydrophobicContact CD1-CE2 4.28Å; I172-F174 HydrophobicContact CD1-CZ 3.64Å; I172-F174 HydrophobicContact CG1-CE1 4.34Å; I172-F174 HydrophobicContact CG1-CE2 4.05Å; I172-F174 HydrophobicContact CG1-CZ 3.85Å; I172-F174 HydrophobicContact CG2-CE2 3.83Å; I172-F174 HydrophobicContact CG2-CZ 4.21Å; I172-F188 CarbonylContact O-C 3.44Å; I172-F188 WeakPolarHBondContact O-CA 3.36Å; I172-F188 WeakPolarHBondContact O-CB 3.49Å; I172-Y189 PolarHBondContact N-O 3.19Å; I172-Y189 PolarHBondContact O-N 3.46Å; I172-I191 HydrophobicContact CB-CD1 4.28Å; I172-I191 HydrophobicContact CB-CG2 4.23Å; I172-I191 HydrophobicContact CG2-CG2 3.78Å
173	Y	86.7	Confident	75.4	Confident	56 Å²	56	52.1 Å²	52.1	22%	0.22	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	127.1	-178.4	-57.9	-101.2	0	0	0	109.1	I165 L166 K168 K171 A185 F188	I165-Y173 CarbonylContact C-O 3.51Å; I165-Y173 WeakPolarHBondContact CA-O 3.05Å; L166-Y173 PolarHBondContact N-O 2.92Å; L166-Y173 PolarHBondContact O-N 3.08Å; K168-Y173 HydrophobicContact CB-CE2 4.41Å; K168-Y173 HydrophobicContact CG-CE2 4.36Å; K171-Y173 HydrophobicContact CB-CD2 4.25Å; K171-Y173 HydrophobicContact CB-CE2 3.55Å; K171-Y173 HydrophobicContact CD-CE1 4.41Å; K171-Y173 HydrophobicContact CD-CE2 4.39Å; K171-Y173 VanDerWaalsContact CD-OH 3.28Å; K171-Y173 WeakPolarHBondContact CD-OH 3.39Å; Y173-A185 HydrophobicContact CD1-CB 4.02Å; Y173-A185 HydrophobicContact CG-CB 4.5Å; Y173-F188 HydrophobicContact CD1-CB 3.61Å; Y173-F188 HydrophobicContact CD1-CG 4.34Å; Y173-F188 HydrophobicContact CE1-CB 4.08Å; Y173-F188 HydrophobicContact CE1-CG 4.43Å; Y173-F188 HydrophobicContact CG-CB 4.16Å
174	F	82.8	Confident	74.2	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	134.4	179.7	-61.1	-83.4	0	0	0	110.3	F136 V150 F152 G164 I165 I172 A185 Y186 H187 Y189	F136-F174 HydrophobicContact CB-CE1 4.39Å; F136-F174 HydrophobicContact CB-CZ 4.14Å; V150-F174 HydrophobicContact CG1-CE2 3.67Å; V150-F174 HydrophobicContact CG1-CZ 3.93Å; F152-F174 HydrophobicContact CD1-CD1 4.01Å; F152-F174 HydrophobicContact CD1-CD2 4.04Å; F152-F174 HydrophobicContact CD1-CE1 4.03Å; F152-F174 HydrophobicContact CD1-CE2 4.06Å; F152-F174 HydrophobicContact CD1-CG 4.01Å; F152-F174 HydrophobicContact CD1-CZ 4.04Å; F152-F174 HydrophobicContact CE1-CB 4.23Å; F152-F174 AromaticContact CE1-CD1 3.2Å; F152-F174 HydrophobicContact CE1-CD1 3.2Å; F152-F174 HydrophobicContact CE1-CD2 4.05Å; F152-F174 AromaticContact CE1-CE1 3.36Å; F152-F174 HydrophobicContact CE1-CE1 3.36Å; F152-F174 HydrophobicContact CE1-CE2 4.18Å; F152-F174 AromaticContact CE1-CG 3.57Å; F152-F174 HydrophobicContact CE1-CG 3.57Å; F152-F174 AromaticContact CE1-CZ 3.86Å; F152-F174 HydrophobicContact CE1-CZ 3.86Å; F152-F174 HydrophobicContact CE2-CB 4.1Å; F152-F174 HydrophobicContact CE2-CD1 4.45Å; F152-F174 HydrophobicContact CE2-CG 4.31Å; F152-F174 HydrophobicContact CZ-CB 3.89Å; F152-F174 AromaticContact CZ-CD1 3.47Å; F152-F174 HydrophobicContact CZ-CD1 3.47Å; F152-F174 VanDerWaalsContact CZ-CD1 3.47Å; F152-F174 HydrophobicContact CZ-CE1 4.1Å; F152-F174 AromaticContact CZ-CG 3.73Å; F152-F174 HydrophobicContact CZ-CG 3.73Å; G164-F174 CarbonylContact O-C 3.57Å; G164-F174 WeakPolarHBondContact O-CA 3.48Å; I165-F174 HydrophobicContact CB-CD1 4.33Å; I165-F174 HydrophobicContact CB-CE1 4.43Å; I165-F174 HydrophobicContact CD1-CD1 4.29Å; I165-F174 HydrophobicContact CD1-CE1 4.05Å; I165-F174 HydrophobicContact CG1-CD1 3.9Å; I165-F174 HydrophobicContact CG1-CE1 4.1Å; I165-F174 HydrophobicContact CG2-CD1 3.85Å; I165-F174 HydrophobicContact CG2-CE1 3.6Å; I165-F174 HydrophobicContact CG2-CZ 4.35Å; I172-F174 HydrophobicContact CD1-CE1 4.13Å; I172-F174 HydrophobicContact CD1-CE2 4.28Å; I172-F174 HydrophobicContact CD1-CZ 3.64Å; I172-F174 HydrophobicContact CG1-CE1 4.34Å; I172-F174 HydrophobicContact CG1-CE2 4.05Å; I172-F174 HydrophobicContact CG1-CZ 3.85Å; I172-F174 HydrophobicContact CG2-CE2 3.83Å; I172-F174 HydrophobicContact CG2-CZ 4.21Å; F174-A185 CarbonylContact O-C 3.57Å; F174-A185 VanDerWaalsContact O-CA 3.32Å; F174-A185 WeakPolarHBondContact O-CA 3.25Å; F174-Y186 PolarHBondContact O-N 2.85Å; F174-H187 PolarHBondContact N-O 2.95Å; F174-H187 PolarHBondContact O-N 3.24Å; F174-Y189 HydrophobicContact CD2-CD2 4.04Å; F174-Y189 HydrophobicContact CD2-CE2 4.09Å; F174-Y189 AromaticContact CE2-CD2 3.72Å; F174-Y189 HydrophobicContact CE2-CD2 3.72Å; F174-Y189 AromaticContact CE2-CE2 3.97Å; F174-Y189 HydrophobicContact CE2-CE2 3.97Å
175	Y	79.1	Confident	73	Confident	18 Å²	18	57.5 Å²	57.5	7%	0.071	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	132.2	-179.6	-57.8	-90.4	0	0	0	108.9	L163 G164 L166 G183 A185 L236 M239	L163-Y175 WeakPolarHBondContact CA-O 3.48Å; G164-Y175 PolarHBondContact N-O 2.7Å; G164-Y175 PolarHBondContact O-N 3.39Å; L166-Y175 HydrophobicContact CB-CE2 3.89Å; Y175-G183 WeakPolarHBondContact CE1-O 3.07Å; Y175-A185 HydrophobicContact CD1-CB 4.25Å; Y175-A185 HydrophobicContact CE1-CB 3.77Å; Y175-A185 HydrophobicContact CE2-CB 4.5Å; Y175-L236 HydrophobicContact CD1-CD1 3.7Å; Y175-L236 HydrophobicContact CD1-CD2 4.41Å; Y175-L236 HydrophobicContact CD2-CD1 3.77Å; Y175-L236 HydrophobicContact CE1-CD1 3.79Å; Y175-L236 HydrophobicContact CE1-CD2 3.71Å; Y175-L236 HydrophobicContact CE1-CG 4.43Å; Y175-L236 HydrophobicContact CE2-CD1 3.86Å; Y175-L236 HydrophobicContact CE2-CD2 4.38Å; Y175-L236 HydrophobicContact CG-CD1 3.69Å; Y175-M239 HydrophobicContact CG-SD 4.42Å
176	T	71.8	Confident	71.7	Confident	42 Å²	42	61.8 Å²	61.8	26%	0.258	33%	0.328	S	S	.	.			trans	-118.6	-6	-176.6	52.6	0	0	0	0	113.4	I154 H162 Y186	I154-T176 HydrophobicContact CD1-CG2 4.02Å; H162-T176 CarbonylContact O-C 3.46Å; H162-T176 VanDerWaalsContact O-CA 3.24Å; H162-T176 WeakPolarHBondContact O-CA 3.26Å; T176-Y186 HydrophobicContact CG2-CD1 3.68Å; T176-Y186 HydrophobicContact CG2-CD2 4.33Å; T176-Y186 HydrophobicContact CG2-CE1 4.27Å; T176-Y186 HydrophobicContact CG2-CG 3.73Å; T176-Y186 WeakPolarHBondContact OG1-CB 3.06Å; T176-Y186 WeakPolarHBondContact OG1-CD2 3.28Å
177	S	65.5	Low	70.8	Confident	65 Å²	65	64.5 Å²	64.5	46%	0.455	34%	0.34	S	S	.	.			trans	-147.1	171.5	-178.7	67	0	0	0	0	110.3
178	C	60.9	Low	70.3	Confident	39 Å²	39	70.4 Å²	70.4	26%	0.264	37%	0.366	S	S	.	.			trans	-137.6	82.7	177.7	-87.8	0	0	0	0	110.8	M239 C240	C178-M239 VanDerWaalsContact SG-CG 3.55Å; C178-M239 PolarHBondContact SG-O 2.8Å; C178-M239 VanDerWaalsContact SG-O 3.33Å; C178-C240 WeakPolarHBondContact CA-SG 3.28Å; C178-C240 HydrophobicContact CB-CB 3.48Å; C178-C240 VanDerWaalsContact CB-CB 3.48Å; C178-C240 WeakPolarHBondContact CB-SG 3.27Å; C178-C240 WeakPolarHBondContact SG-CA 3.28Å; C178-C240 WeakPolarHBondContact SG-CB 3.28Å; C178-C240 PolarHBondContact SG-N 2.98Å; C178-C240 VanDerWaalsContact SG-N 3.45Å; C178-C240 CovalentContact SG-SG 2.04Å; C178-C240 PolarHBondContact SG-SG 2.94Å
179	E	52.9	Low	70	Confident	138 Å²	138	71.2 Å²	71.2	65%	0.645	37%	0.368	S	S	*	.			trans	-93.1	129.8	169.3	-60.5	-170.8	158	0	0	108.8	T181	E179-T181 PolarHBondContact O-N 3.36Å
180	E	45.3	Very low	69.8	Low	142 Å²	142	72.2 Å²	72.2	66%	0.664	38%	0.377	S	S	*	.	S	Bend	trans	-66.2	-19.5	-175.4	-69.5	154.1	145.8	0	0	112.6	Q182 K242	E180-Q182 PolarHBondContact O-N 2.88Å; E180-Q182 VanDerWaalsContact O-N 3.12Å; E180-K242 WeakPolarHBondContact OE1-CE 3.1Å; E180-K242 IonicContact OE1-NZ 3.01Å; E180-K242 PolarHBondContact OE1-NZ 2.79Å; E180-K242 IonicContact OE2-NZ 2.71Å; E180-K242 PolarHBondContact OE2-NZ 3.05Å
181	T	40.7	Very low	69.8	Low	116 Å²	116	69 Å²	69	71%	0.712	36%	0.36	S	S	*	.	S	Bend	trans	-86.7	71.4	-179.4	48.4	0	0	0	0	111.8	E179	E179-T181 PolarHBondContact O-N 3.36Å
182	Q	44.3	Very low	69.5	Low	162 Å²	162	72.6 Å²	72.6	76%	0.757	38%	0.377	S	S	*	.			trans	63.2	107.8	-176.1	-59.9	-177.3	-14.9	0	0	113.7	E180 I184	E180-Q182 PolarHBondContact O-N 2.88Å; E180-Q182 VanDerWaalsContact O-N 3.12Å; Q182-I184 PolarHBondContact O-N 2.85Å
183	G	52.6	Low	69.1	Low	39 Å²	39	74 Å²	74	40%	0.402	39%	0.392	S	S	.	.			trans	-64.2	94	172	0	0	0	0	0	111.6	Y175	Y175-G183 WeakPolarHBondContact CE1-O 3.07Å
184	I	59.8	Low	69.3	Low	99 Å²	99	71.5 Å²	71.5	51%	0.508	38%	0.382	S	S	.	.			trans	-78.4	129.1	171.1	-64.3	172.2	0	0	0	108.1	Q182 Y186	Q182-I184 PolarHBondContact O-N 2.85Å; I184-Y186 PolarHBondContact O-N 3.42Å
185	A	62.1	Low	69.8	Low	17 Å²	17	72.2 Å²	72.2	14%	0.14	39%	0.386	C	S	.	.			trans	-67.1	125.3	173.3	0	0	0	0	0	109.9	Y173 F174 Y175 H187	Y173-A185 HydrophobicContact CD1-CB 4.02Å; Y173-A185 HydrophobicContact CG-CB 4.5Å; F174-A185 CarbonylContact O-C 3.57Å; F174-A185 VanDerWaalsContact O-CA 3.32Å; F174-A185 WeakPolarHBondContact O-CA 3.25Å; Y175-A185 HydrophobicContact CD1-CB 4.25Å; Y175-A185 HydrophobicContact CE1-CB 3.77Å; Y175-A185 HydrophobicContact CE2-CB 4.5Å; A185-H187 PolarHBondContact O-N 2.7Å
186	Y	64.3	Low	70.4	Confident	90 Å²	90	72.6 Å²	72.6	35%	0.353	40%	0.396	S	S	.	.	S	Bend	trans	-55.2	-39.9	175.9	177	-103.1	0	0	0	111.6	F152 S153 I154 F174 T176 I184	F152-Y186 AromaticContact CD2-CD1 3.97Å; F152-Y186 HydrophobicContact CD2-CD1 3.97Å; F152-Y186 AromaticContact CD2-CE1 3.93Å; F152-Y186 HydrophobicContact CD2-CE1 3.93Å; F152-Y186 HydrophobicContact CE2-CD1 4.13Å; F152-Y186 HydrophobicContact CE2-CE1 4.33Å; S153-Y186 WeakPolarHBondContact O-CE1 3.48Å; S153-Y186 PolarHBondContact O-OH 3.36Å; I154-Y186 HydrophobicContact CG1-CE1 4.32Å; F174-Y186 PolarHBondContact O-N 2.85Å; T176-Y186 HydrophobicContact CG2-CD1 3.68Å; T176-Y186 HydrophobicContact CG2-CD2 4.33Å; T176-Y186 HydrophobicContact CG2-CE1 4.27Å; T176-Y186 HydrophobicContact CG2-CG 3.73Å; T176-Y186 WeakPolarHBondContact OG1-CB 3.06Å; T176-Y186 WeakPolarHBondContact OG1-CD2 3.28Å; I184-Y186 PolarHBondContact O-N 3.42Å
187	H	70.3	Confident	71.3	Confident	70 Å²	70	73.9 Å²	73.9	32%	0.324	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	158.5	161.8	-71.9	-69.4	0	0	0	110.6	F152 F174 A185 Y189	F152-H187 AromaticContact CD2-CD2 3.93Å; F174-H187 PolarHBondContact N-O 2.95Å; F174-H187 PolarHBondContact O-N 3.24Å; A185-H187 PolarHBondContact O-N 2.7Å; H187-Y189 HydrophobicContact CB-CD2 4.39Å; H187-Y189 HydrophobicContact CB-CE2 3.59Å
188	F	82.1	Confident	72.6	Confident	125 Å²	125	73.9 Å²	73.9	55%	0.548	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	149.9	166.3	65.6	-90.3	0	0	0	110.2	K171 I172 Y173	K171-F188 HydrophobicContact CD-CD2 4.46Å; I172-F188 CarbonylContact O-C 3.44Å; I172-F188 WeakPolarHBondContact O-CA 3.36Å; I172-F188 WeakPolarHBondContact O-CB 3.49Å; Y173-F188 HydrophobicContact CD1-CB 3.61Å; Y173-F188 HydrophobicContact CD1-CG 4.34Å; Y173-F188 HydrophobicContact CE1-CB 4.08Å; Y173-F188 HydrophobicContact CE1-CG 4.43Å; Y173-F188 HydrophobicContact CG-CB 4.16Å
189	Y	84.7	Confident	74.3	Confident	72 Å²	72	72.1 Å²	72.1	28%	0.282	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	144.8	-177.5	-61.3	-105.6	0	0	0	109.8	V150 E151 F152 K171 I172 F174 H187	V150-Y189 HydrophobicContact CG1-CD1 3.85Å; V150-Y189 HydrophobicContact CG1-CD2 3.39Å; V150-Y189 HydrophobicContact CG1-CE1 4.24Å; V150-Y189 HydrophobicContact CG1-CE2 3.85Å; V150-Y189 HydrophobicContact CG1-CG 3.4Å; V150-Y189 VanDerWaalsContact CG1-CG 3.4Å; E151-Y189 PolarHBondContact O-OH 3.29Å; F152-Y189 HydrophobicContact CB-CE2 4.14Å; F152-Y189 VanDerWaalsContact CB-OH 3.28Å; F152-Y189 WeakPolarHBondContact CB-OH 3.42Å; K171-Y189 VanDerWaalsContact CA-O 3.27Å; K171-Y189 WeakPolarHBondContact CA-O 3.11Å; I172-Y189 PolarHBondContact N-O 3.19Å; I172-Y189 PolarHBondContact O-N 3.46Å; F174-Y189 HydrophobicContact CD2-CD2 4.04Å; F174-Y189 HydrophobicContact CD2-CE2 4.09Å; F174-Y189 AromaticContact CE2-CD2 3.72Å; F174-Y189 HydrophobicContact CE2-CD2 3.72Å; F174-Y189 AromaticContact CE2-CE2 3.97Å; F174-Y189 HydrophobicContact CE2-CE2 3.97Å; H187-Y189 HydrophobicContact CB-CD2 4.39Å; H187-Y189 HydrophobicContact CB-CE2 3.59Å
190	S	87.2	Confident	76.3	Confident	96 Å²	96	65.6 Å²	65.6	67%	0.671	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.1	131.7	171.2	-79.7	0	0	0	0	111	D170	D170-S190 CarbonylContact O-C 3.59Å; D170-S190 VanDerWaalsContact O-CA 3.3Å; D170-S190 WeakPolarHBondContact O-CA 3.37Å
191	I	89.8	Confident	78.7	Confident	6 Å²	6	63.5 Å²	63.5	3%	0.031	34%	0.341	C	S	.	.			trans	-123.8	170.7	175.7	57.5	164.8	0	0	0	109.5	Y138 V150 I167 D170 I172 L194	Y138-I191 HydrophobicContact CE1-CG2 4.12Å; Y138-I191 WeakPolarHBondContact OH-CB 3.39Å; V150-I191 HydrophobicContact CG2-CG2 4.15Å; I167-I191 HydrophobicContact CG2-CD1 3.71Å; D170-I191 CarbonylContact C-O 3.59Å; D170-I191 PolarHBondContact O-N 3.41Å; D170-I191 VanDerWaalsContact O-O 3.12Å; I172-I191 HydrophobicContact CB-CD1 4.28Å; I172-I191 HydrophobicContact CB-CG2 4.23Å; I172-I191 HydrophobicContact CG2-CG2 3.78Å; I191-L194 HydrophobicContact CD1-CB 4.24Å; I191-L194 HydrophobicContact CD1-CD2 3.95Å
192	Q	85.2	Confident	81.1	Confident	133 Å²	133	66.5 Å²	66.5	62%	0.621	34%	0.344	S	S	*	.			trans	-149.1	132.3	-178.2	-66.9	172.5	-25.2	0	0	108.8
193	G	82.8	Confident	83.4	Confident	30 Å²	30	61.1 Å²	61.1	31%	0.309	33%	0.332	S	S	.	.	S	Bend	trans	60.4	56.9	170.5	0	0	0	0	0	114	P140	P140-G193 WeakPolarHBondContact CG-O 3.25Å
194	L	92	Very high	85.5	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.01	31%	0.313	C	S	.	.			trans	-124.1	-42.4	178.1	175.6	56.7	0	0	0	112.6	L86 L122 F136 Y138 I167 I191 L199	L86-L194 HydrophobicContact CD1-CD1 3.71Å; L86-L194 HydrophobicContact CD1-CG 3.88Å; L122-L194 HydrophobicContact CD1-CD1 4.14Å; F136-L194 HydrophobicContact CE1-CD2 3.73Å; F136-L194 HydrophobicContact CZ-CD2 4.05Å; Y138-L194 HydrophobicContact CD1-CD2 4.46Å; Y138-L194 HydrophobicContact CD2-CB 4.06Å; Y138-L194 HydrophobicContact CD2-CD1 3.84Å; Y138-L194 HydrophobicContact CD2-CD2 4.03Å; Y138-L194 HydrophobicContact CD2-CG 4.18Å; Y138-L194 HydrophobicContact CE2-CB 4.09Å; Y138-L194 HydrophobicContact CE2-CD2 4.39Å; Y138-L194 HydrophobicContact CG-CD1 4.15Å; Y138-L194 HydrophobicContact CG-CD2 4.06Å; I167-L194 HydrophobicContact CG2-CD2 4.01Å; I167-L194 HydrophobicContact CG2-CG 4.43Å; I191-L194 HydrophobicContact CD1-CB 4.24Å; I191-L194 HydrophobicContact CD1-CD2 3.95Å; L194-L199 HydrophobicContact CD1-CD1 4.32Å
195	L	92.9	Very high	87.2	Confident	16 Å²	16	56.4 Å²	56.4	8%	0.084	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-78.8	146.7	165.8	-61	-165.8	0	0	0	109.5	L86 P87 E89 F91 I167 P169 E197	L86-L195 HydrophobicContact CB-CD2 3.94Å; L86-L195 HydrophobicContact CD1-CD2 4.15Å; P87-L195 VanDerWaalsContact O-CB 3.23Å; P87-L195 WeakPolarHBondContact O-CB 3.1Å; P87-L195 WeakPolarHBondContact O-CD2 3.27Å; E89-L195 WeakPolarHBondContact O-CD1 3.17Å; F91-L195 HydrophobicContact CB-CD2 3.89Å; I167-L195 HydrophobicContact CB-CD2 4.3Å; I167-L195 HydrophobicContact CG2-CD1 4.35Å; I167-L195 HydrophobicContact CG2-CD2 3.57Å; I167-L195 HydrophobicContact CG2-CG 3.89Å; P169-L195 HydrophobicContact CG-CD1 4.21Å; L195-E197 PolarHBondContact O-N 2.88Å
196	G	90.5	Very high	88.8	Confident	26 Å²	26	55.8 Å²	55.8	27%	0.268	29%	0.294	S	S	.	.	S	Bend	trans	71.5	-31.2	-178.4	0	0	0	0	0	116.3	K85 L86 P87 D88	K85-G196 VanDerWaalsContact CD-O 3.27Å; K85-G196 WeakPolarHBondContact CD-O 3.33Å; L86-G196 PolarHBondContact O-N 3.3Å; P87-G196 PolarHBondContact O-N 3.28Å; D88-G196 VanDerWaalsContact OD1-CA 3.29Å; D88-G196 WeakPolarHBondContact OD1-CA 3.02Å
197	E	91.4	Very high	90.3	Very high	68 Å²	68	53 Å²	53	32%	0.318	28%	0.283	S	S	.	.	S	Bend	trans	-71.6	139.6	-177.4	-73.9	-65.7	132.4	0	0	112.8	K85 P140 S142 L195 L199	K85-E197 WeakPolarHBondContact CB-O 3.36Å; P140-E197 HydrophobicContact CB-CB 4.4Å; S142-E197 WeakPolarHBondContact CB-OE2 3.05Å; S142-E197 PolarHBondContact OG-OE2 3.31Å; L195-E197 PolarHBondContact O-N 2.88Å; E197-L199 PolarHBondContact O-N 2.75Å; E197-L199 VanDerWaalsContact O-N 3.12Å
198	P	93.9	Very high	91.4	Very high	66 Å²	66	49.9 Å²	49.9	43%	0.429	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-57.5	117.1	170.7	-23.8	34.5	0	0	0	110.8	L141	L141-P198 HydrophobicContact CB-CB 4.33Å; L141-P198 WeakPolarHBondContact CB-O 3.02Å; L141-P198 HydrophobicContact CD1-CB 4.04Å; L141-P198 HydrophobicContact CG-CB 4.32Å; L141-P198 WeakPolarHBondContact CG-O 3.4Å; L141-P198 PolarHBondContact N-O 3.44Å
199	L	95.1	Very high	92	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	24%	0.243	C	C	.	.			trans	-94.5	-39.6	-170.6	-179.4	62.6	0	0	0	112.8	S84 L86 I113 R121 L122 L194 E197	S84-L199 WeakPolarHBondContact O-CB 3.48Å; S84-L199 PolarHBondContact O-N 3.31Å; L86-L199 HydrophobicContact CD2-CD2 4.06Å; L86-L199 HydrophobicContact CG-CD2 4.01Å; I113-L199 HydrophobicContact CD1-CD2 4.25Å; R121-L199 HydrophobicContact CB-CD1 4.47Å; R121-L199 HydrophobicContact CB-CG 4.45Å; R121-L199 WeakPolarHBondContact CB-O 3.44Å; R121-L199 VanDerWaalsContact CD-O 3.28Å; R121-L199 WeakPolarHBondContact CD-O 3.18Å; R121-L199 WeakPolarHBondContact CG-O 3.49Å; R121-L199 WeakPolarHBondContact O-CD1 3.47Å; L122-L199 HydrophobicContact CB-CD1 4.46Å; L122-L199 HydrophobicContact CB-CD2 4.11Å; L122-L199 HydrophobicContact CD2-CD2 4.01Å; L194-L199 HydrophobicContact CD1-CD1 4.32Å; E197-L199 PolarHBondContact O-N 2.75Å; E197-L199 VanDerWaalsContact O-N 3.12Å
200	F	95.5	Very high	92.5	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.009	23%	0.23	C	C	.	.			trans	-146	157.7	-171.9	60.1	-106.7	0	0	0	113.1	A77 L78 F81 S84 I113 R121 A204	A77-F200 HydrophobicContact CB-CD1 4.23Å; A77-F200 HydrophobicContact CB-CD2 4.11Å; A77-F200 HydrophobicContact CB-CE1 3.82Å; A77-F200 HydrophobicContact CB-CE2 3.69Å; A77-F200 HydrophobicContact CB-CG 4.36Å; A77-F200 HydrophobicContact CB-CZ 3.52Å; L78-F200 HydrophobicContact CD2-CE2 3.93Å; L78-F200 HydrophobicContact CG-CE2 4.04Å; F81-F200 HydrophobicContact CB-CE1 3.88Å; F81-F200 HydrophobicContact CB-CZ 3.88Å; F81-F200 HydrophobicContact CD2-CE1 4.06Å; F81-F200 HydrophobicContact CG-CE1 4.26Å; S84-F200 WeakPolarHBondContact CB-O 3.39Å; S84-F200 PolarHBondContact O-N 3.49Å; I113-F200 HydrophobicContact CD1-CD1 4.41Å; I113-F200 HydrophobicContact CD1-CE1 4.45Å; I113-F200 HydrophobicContact CG2-CB 4.12Å; I113-F200 HydrophobicContact CG2-CD1 3.85Å; I113-F200 HydrophobicContact CG2-CG 4.12Å; R121-F200 HydrophobicContact CB-CB 4.23Å; R121-F200 HydrophobicContact CG-CB 4.02Å; F200-A204 HydrophobicContact CB-CB 3.72Å; F200-A204 HydrophobicContact CD2-CB 3.55Å; F200-A204 HydrophobicContact CE2-CB 4.38Å; F200-A204 HydrophobicContact CG-CB 3.85Å
201	R	94.9	Very high	92.8	Very high	98 Å²	98	35.9 Å²	35.9	37%	0.37	20%	0.198	S	C	.	.			trans	-81.2	158.6	178.1	-77.4	175.6	-74.4	169.6	-4.9	111.9	D115 D117 L141 G203 A204	D115-R201 VanDerWaalsContact CB-NH2 3.3Å; D115-R201 PolarHBondContact OD1-N 3.32Å; D115-R201 IonicContact OD2-CZ 2.7Å; D115-R201 IonicContact OD2-NE 3.25Å; D115-R201 PolarHBondContact OD2-NE 2.9Å; D115-R201 IonicContact OD2-NH2 2.91Å; D115-R201 PolarHBondContact OD2-NH2 2.89Å; D117-R201 IonicContact OD1-CZ 2.76Å; D117-R201 IonicContact OD1-NH2 2.8Å; D117-R201 PolarHBondContact OD1-NH2 3.37Å; D117-R201 IonicContact OD2-CZ 2.83Å; D117-R201 VanDerWaalsContact OD2-CZ 3.25Å; D117-R201 IonicContact OD2-NH1 3.89Å; D117-R201 PolarHBondContact OD2-NH1 3.48Å; D117-R201 IonicContact OD2-NH2 3.7Å; D117-R201 PolarHBondContact OD2-NH2 3.03Å; L141-R201 HydrophobicContact CD1-CG 4.31Å; L141-R201 HydrophobicContact CD2-CG 4.2Å; R201-G203 PolarHBondContact O-N 2.7Å; R201-A204 WeakPolarHBondContact O-CB 3.34Å; R201-A204 PolarHBondContact O-N 3.47Å
202	K	92.5	Very high	92.9	Very high	178 Å²	178	35.7 Å²	35.7	77%	0.774	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	137.1	168.7	-67	-176.2	177.3	-178.5	0	110	L78	L78-K202 HydrophobicContact CD1-CG 4.46Å
203	G	91.8	Very high	93.2	Very high	50 Å²	50	31.8 Å²	31.8	52%	0.515	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.1	-8.8	-172	0	0	0	0	0	114.9	R201	R201-G203 PolarHBondContact O-N 2.7Å
204	A	96.3	Very high	93.3	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.008	19%	0.191	C	C	.	.			trans	-58.5	146.5	173.9	0	0	0	0	0	112.5	A77 R114 F200 R201	A77-A204 HydrophobicContact CB-CB 4.16Å; A77-A204 WeakPolarHBondContact CB-O 2.87Å; A77-A204 PolarHBondContact N-O 3.26Å; R114-A204 CarbonylContact O-C 3.42Å; R114-A204 WeakPolarHBondContact O-CA 3.44Å; R114-A204 VanDerWaalsContact O-CB 3.25Å; R114-A204 WeakPolarHBondContact O-CB 3.41Å; F200-A204 HydrophobicContact CB-CB 3.72Å; F200-A204 HydrophobicContact CD2-CB 3.55Å; F200-A204 HydrophobicContact CE2-CB 4.38Å; F200-A204 HydrophobicContact CG-CB 3.85Å; R201-A204 WeakPolarHBondContact O-CB 3.34Å; R201-A204 PolarHBondContact O-N 3.47Å
205	T	96.2	Very high	92.9	Very high	37 Å²	37	44 Å²	44	23%	0.227	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	133.3	-176.5	-65	0	0	0	0	110.1	I113 R114 Y207	I113-T205 WeakPolarHBondContact CA-O 3.32Å; R114-T205 PolarHBondContact N-O 3.2Å; R114-T205 PolarHBondContact O-N 2.84Å; T205-Y207 HydrophobicContact CG2-CD1 4.22Å; T205-Y207 HydrophobicContact CG2-CD2 4.09Å; T205-Y207 HydrophobicContact CG2-CE1 3.76Å; T205-Y207 HydrophobicContact CG2-CE2 3.59Å; T205-Y207 HydrophobicContact CG2-CG 4.39Å; T205-Y207 VanDerWaalsContact CG2-CZ 3.41Å; T205-Y207 WeakPolarHBondContact O-CD2 3.3Å; T205-Y207 WeakPolarHBondContact O-CE2 3.3Å
206	F	96.1	Very high	92.5	Very high	5 Å²	5	45.4 Å²	45.4	2%	0.022	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	132.6	166.8	170.7	-91.5	0	0	0	108.8	I43 S74 V75 A77 L80 F111 S112 I113 A208 F227 F229	I43-F206 HydrophobicContact CG2-CE1 4.16Å; I43-F206 HydrophobicContact CG2-CZ 4.31Å; S74-F206 CarbonylContact C-O 3.59Å; S74-F206 WeakPolarHBondContact CA-O 3.23Å; S74-F206 WeakPolarHBondContact CB-O 3.29Å; V75-F206 HydrophobicContact CG2-CB 4.09Å; V75-F206 HydrophobicContact CG2-CD1 3.95Å; V75-F206 HydrophobicContact CG2-CG 4.43Å; V75-F206 PolarHBondContact N-O 3.22Å; V75-F206 PolarHBondContact O-N 2.72Å; V75-F206 VanDerWaalsContact O-O 3.1Å; A77-F206 HydrophobicContact CB-CB 4.35Å; L80-F206 HydrophobicContact CD1-CB 4.04Å; L80-F206 HydrophobicContact CD1-CD1 3.48Å; L80-F206 VanDerWaalsContact CD1-CD1 3.48Å; L80-F206 HydrophobicContact CD1-CD2 3.89Å; L80-F206 HydrophobicContact CD1-CE1 3.74Å; L80-F206 HydrophobicContact CD1-CE2 4.18Å; L80-F206 HydrophobicContact CD1-CG 3.53Å; L80-F206 HydrophobicContact CD1-CZ 4.09Å; F111-F206 HydrophobicContact CB-CE2 3.73Å; F111-F206 HydrophobicContact CB-CZ 3.85Å; F111-F206 HydrophobicContact CD2-CD2 4.35Å; F111-F206 AromaticContact CD2-CE2 3.7Å; F111-F206 HydrophobicContact CD2-CE2 3.7Å; F111-F206 AromaticContact CG-CE2 3.9Å; F111-F206 HydrophobicContact CG-CE2 3.9Å; F111-F206 HydrophobicContact CG-CZ 4.38Å; S112-F206 CarbonylContact O-C 3.5Å; S112-F206 WeakPolarHBondContact O-CA 3.27Å; I113-F206 HydrophobicContact CD1-CD2 4.28Å; I113-F206 HydrophobicContact CG1-CB 4.26Å; I113-F206 HydrophobicContact CG1-CD2 3.75Å; I113-F206 HydrophobicContact CG1-CG 4.5Å; F206-A208 HydrophobicContact CE1-CB 3.73Å; F206-A208 HydrophobicContact CZ-CB 4.16Å; F206-F227 HydrophobicContact CZ-CZ 4.22Å; F206-F229 AromaticContact CE2-CE2 3.76Å; F206-F229 HydrophobicContact CE2-CE2 3.76Å; F206-F229 AromaticContact CE2-CZ 3.64Å; F206-F229 HydrophobicContact CE2-CZ 3.64Å; F206-F229 AromaticContact CZ-CE2 3.85Å; F206-F229 HydrophobicContact CZ-CE2 3.85Å; F206-F229 AromaticContact CZ-CZ 3.83Å; F206-F229 HydrophobicContact CZ-CZ 3.83Å
207	Y	96	Very high	92	Very high	32 Å²	32	45.1 Å²	45.1	13%	0.125	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	132.4	176.4	-58.1	-91.8	0	0	0	108.4	L72 Y73 F111 S112 R114 T205 G212	L72-Y207 HydrophobicContact CB-CD1 3.97Å; L72-Y207 HydrophobicContact CB-CE1 4.05Å; L72-Y207 HydrophobicContact CD1-CD1 4.47Å; L72-Y207 HydrophobicContact CD1-CE1 3.98Å; Y73-Y207 CarbonylContact O-C 3.59Å; Y73-Y207 VanDerWaalsContact O-CA 3.28Å; Y73-Y207 WeakPolarHBondContact O-CA 3.33Å; F111-Y207 CarbonylContact C-O 3.6Å; F111-Y207 WeakPolarHBondContact CA-O 3.38Å; F111-Y207 VanDerWaalsContact CB-O 3.28Å; F111-Y207 WeakPolarHBondContact CB-O 3.39Å; S112-Y207 PolarHBondContact N-O 3.5Å; S112-Y207 PolarHBondContact O-N 3.29Å; R114-Y207 HydrophobicContact CB-CE2 4.17Å; R114-Y207 HydrophobicContact CG-CE2 4.4Å; T205-Y207 HydrophobicContact CG2-CD1 4.22Å; T205-Y207 HydrophobicContact CG2-CD2 4.09Å; T205-Y207 HydrophobicContact CG2-CE1 3.76Å; T205-Y207 HydrophobicContact CG2-CE2 3.59Å; T205-Y207 HydrophobicContact CG2-CG 4.39Å; T205-Y207 VanDerWaalsContact CG2-CZ 3.41Å; T205-Y207 WeakPolarHBondContact O-CD2 3.3Å; T205-Y207 WeakPolarHBondContact O-CE2 3.3Å; Y207-G212 VanDerWaalsContact CD1-CA 3.42Å
208	A	93.6	Very high	91.9	Very high	3 Å²	3	44.2 Å²	44.2	3%	0.025	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	141.5	175.4	0	0	0	0	0	110	I43 L47 Y73 F206 N210 F227	I43-A208 HydrophobicContact CG2-CB 4.01Å; L47-A208 HydrophobicContact CD1-CB 4.11Å; L47-A208 HydrophobicContact CD2-CB 3.94Å; L47-A208 HydrophobicContact CG-CB 4.22Å; Y73-A208 WeakPolarHBondContact CB-O 3.31Å; Y73-A208 PolarHBondContact O-N 3.07Å; F206-A208 HydrophobicContact CE1-CB 3.73Å; F206-A208 HydrophobicContact CZ-CB 4.16Å; A208-N210 PolarHBondContact O-N 3.42Å; A208-N210 VanDerWaalsContact O-N 3.09Å; A208-N210 PolarHBondContact O-ND2 3.16Å; A208-F227 HydrophobicContact CB-CE1 4.08Å
209	L	93.9	Very high	91.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.222	C	C	.	.	S	Bend	trans	59.2	19.6	177.9	-50.9	-178.7	0	0	0	114.3	L47 I64 Y73 Y109 L110 Y219 F220 L224	L47-L209 HydrophobicContact CD1-CD1 3.61Å; L47-L209 HydrophobicContact CD1-CG 4Å; I64-L209 HydrophobicContact CD1-CD1 3.76Å; I64-L209 HydrophobicContact CG1-CD1 3.89Å; I64-L209 HydrophobicContact CG2-CD1 3.93Å; Y73-L209 HydrophobicContact CD2-CB 4.27Å; Y109-L209 CarbonylContact O-C 3.48Å; Y109-L209 VanDerWaalsContact O-CA 3.26Å; Y109-L209 WeakPolarHBondContact O-CA 3.5Å; L110-L209 PolarHBondContact O-N 2.92Å; L209-Y219 CarbonylContact O-C 3.48Å; L209-Y219 WeakPolarHBondContact O-CA 3.38Å; L209-F220 HydrophobicContact CB-CB 3.98Å; L209-F220 HydrophobicContact CD1-CD1 4.47Å; L209-F220 HydrophobicContact CD2-CB 4.05Å; L209-F220 HydrophobicContact CD2-CD1 4.04Å; L209-F220 HydrophobicContact CD2-CG 4.1Å; L209-F220 PolarHBondContact O-N 3.34Å; L209-L224 HydrophobicContact CD1-CD2 4.04Å; L209-L224 HydrophobicContact CD2-CD2 4.45Å
210	N	94.2	Very high	91.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.222	C	C	.	.	S	Bend	trans	-159	162.2	175.7	72.5	94	0	0	0	111.1	L72 Y73 Y109 A208 G212 S217 Y219	L72-N210 HydrophobicContact CD2-CB 4.48Å; L72-N210 WeakPolarHBondContact CD2-OD1 3.43Å; Y73-N210 PolarHBondContact N-ND2 2.94Å; Y73-N210 PolarHBondContact O-ND2 3Å; Y109-N210 VanDerWaalsContact CB-C 3.48Å; Y109-N210 WeakPolarHBondContact CB-O 3.29Å; Y109-N210 PolarHBondContact O-N 2.82Å; A208-N210 PolarHBondContact O-N 3.42Å; A208-N210 VanDerWaalsContact O-N 3.09Å; A208-N210 PolarHBondContact O-ND2 3.16Å; N210-G212 VanDerWaalsContact C-N 3.31Å; N210-G212 PolarHBondContact O-N 2.65Å; N210-G212 WeakPolarHBondContact OD1-CA 3.46Å; N210-G212 PolarHBondContact OD1-N 3.34Å; N210-S217 CarbonylContact C-O 3.45Å; N210-S217 WeakPolarHBondContact CA-O 3.17Å; N210-Y219 HydrophobicContact CB-CD1 3.62Å; N210-Y219 HydrophobicContact CB-CE1 3.71Å; N210-Y219 HydrophobicContact CB-CG 4.18Å
211	S	94.1	Very high	91.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.234	C	C	.	.			trans	-74.1	-17.7	-176.1	76.7	0	0	0	0	114.4	S112 R114 L213 A216 S217	S112-S211 VanDerWaalsContact OG-C 3.26Å; S112-S211 PolarHBondContact OG-O 3.08Å; R114-S211 PolarHBondContact NE-O 2.91Å; R114-S211 PolarHBondContact NH2-O 3.36Å; S211-L213 PolarHBondContact OG-N 2.78Å; S211-L213 VanDerWaalsContact OG-N 3.07Å; S211-A216 PolarHBondContact OG-O 2.03Å; S211-S217 PolarHBondContact N-O 3.33Å; S211-S217 WeakPolarHBondContact OG-CA 3.47Å; S211-S217 PolarHBondContact OG-O 3.1Å
212	G	92.8	Very high	90.9	Very high	2 Å²	2	40.9 Å²	40.9	2%	0.021	22%	0.22	C	C	.	.	S	Bend	trans	83.9	0.2	-169.1	0	0	0	0	0	115.8	L72 Y207 N210	L72-G212 WeakPolarHBondContact CD1-O 3.35Å; Y207-G212 VanDerWaalsContact CD1-CA 3.42Å; N210-G212 VanDerWaalsContact C-N 3.31Å; N210-G212 PolarHBondContact O-N 2.65Å; N210-G212 WeakPolarHBondContact OD1-CA 3.46Å; N210-G212 PolarHBondContact OD1-N 3.34Å
213	L	91.7	Very high	90.7	Very high	50 Å²	50	36.8 Å²	36.8	26%	0.262	20%	0.2	S	C	.	.			trans	-105.8	122.4	178.9	-56.6	178.6	0	0	0	111	N118 S211 N215 A216 S217	N118-L213 HydrophobicContact CB-CD2 3.88Å; S211-L213 PolarHBondContact OG-N 2.78Å; S211-L213 VanDerWaalsContact OG-N 3.07Å; L213-N215 VanDerWaalsContact C-N 3.34Å; L213-N215 PolarHBondContact O-N 2.82Å; L213-A216 HydrophobicContact CB-CB 4.31Å; L213-A216 HydrophobicContact CD1-CB 4.47Å; L213-A216 CarbonylContact O-C 3.52Å; L213-A216 VanDerWaalsContact O-C 3.29Å; L213-A216 PolarHBondContact O-N 2.87Å; L213-S217 WeakPolarHBondContact O-CA 3.5Å; L213-S217 WeakPolarHBondContact O-CB 3.32Å; L213-S217 PolarHBondContact O-N 2.92Å; L213-S217 PolarHBondContact O-OG 2.99Å
214	K	84.2	Confident	90.4	Very high	122 Å²	122	34.4 Å²	34.4	53%	0.53	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-57.5	-42.5	178.7	-74	-171	166.3	-155.8	0	113.8	D70 L72 A216 S217	D70-K214 HydrophobicContact CB-CD 4.1Å; D70-K214 HydrophobicContact CB-CG 4.45Å; D70-K214 WeakPolarHBondContact OD2-CD 3.42Å; D70-K214 WeakPolarHBondContact OD2-CE 3.42Å; D70-K214 IonicContact OD2-NZ 2.87Å; D70-K214 PolarHBondContact OD2-NZ 3.41Å; L72-K214 HydrophobicContact CD1-CG 3.95Å; K214-A216 VanDerWaalsContact C-N 3.31Å; K214-A216 PolarHBondContact O-N 2.86Å; K214-S217 PolarHBondContact O-OG 2.86Å; K214-S217 VanDerWaalsContact O-OG 3.07Å
215	N	82.8	Confident	89.6	Confident	167 Å²	167	38.1 Å²	38.1	89%	0.893	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-86	-3.5	-174.5	-61.5	6.4	0	0	0	113.4	L213	L213-N215 VanDerWaalsContact C-N 3.34Å; L213-N215 PolarHBondContact O-N 2.82Å
216	A	84	Confident	89	Confident	45 Å²	45	37.4 Å²	37.4	37%	0.372	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-153.8	54.7	-175.8	0	0	0	0	0	109.6	S211 L213 K214 E218	S211-A216 PolarHBondContact OG-O 2.03Å; L213-A216 HydrophobicContact CB-CB 4.31Å; L213-A216 HydrophobicContact CD1-CB 4.47Å; L213-A216 CarbonylContact O-C 3.52Å; L213-A216 VanDerWaalsContact O-C 3.29Å; L213-A216 PolarHBondContact O-N 2.87Å; K214-A216 VanDerWaalsContact C-N 3.31Å; K214-A216 PolarHBondContact O-N 2.86Å; A216-E218 VanDerWaalsContact C-N 3.31Å; A216-E218 PolarHBondContact O-N 2.83Å
217	S	80.2	Confident	88.6	Confident	21 Å²	21	37.2 Å²	37.2	15%	0.147	19%	0.189	C	C	.	.			trans	-72.9	-18.5	-163.9	-52	0	0	0	0	115.2	N210 S211 L213 K214 Y219	N210-S217 CarbonylContact C-O 3.45Å; N210-S217 WeakPolarHBondContact CA-O 3.17Å; S211-S217 PolarHBondContact N-O 3.33Å; S211-S217 WeakPolarHBondContact OG-CA 3.47Å; S211-S217 PolarHBondContact OG-O 3.1Å; L213-S217 WeakPolarHBondContact O-CA 3.5Å; L213-S217 WeakPolarHBondContact O-CB 3.32Å; L213-S217 PolarHBondContact O-N 2.92Å; L213-S217 PolarHBondContact O-OG 2.99Å; K214-S217 PolarHBondContact O-OG 2.86Å; K214-S217 VanDerWaalsContact O-OG 3.07Å; S217-Y219 VanDerWaalsContact CB-CD2 3.46Å; S217-Y219 PolarHBondContact O-N 3.46Å
218	E	89.2	Confident	88.2	Confident	49 Å²	49	36.3 Å²	36.3	23%	0.229	19%	0.187	C	C	.	.			trans	41.4	51.4	173.2	-63.3	178.3	104	0	0	111.7	G107 L108 Y109 K125 A216	G107-E218 WeakPolarHBondContact O-CB 3.31Å; L108-E218 CarbonylContact C-O 3.59Å; L108-E218 WeakPolarHBondContact CA-O 3.5Å; Y109-E218 HydrophobicContact CD2-CB 3.99Å; Y109-E218 VanDerWaalsContact CE2-OE2 3.28Å; Y109-E218 WeakPolarHBondContact CE2-OE2 3.46Å; Y109-E218 PolarHBondContact N-O 3.39Å; K125-E218 WeakPolarHBondContact CE-OE1 3.36Å; K125-E218 IonicContact NZ-OE1 3.83Å; K125-E218 PolarHBondContact NZ-OE1 3.46Å; K125-E218 IonicContact NZ-OE2 2.67Å; A216-E218 VanDerWaalsContact C-N 3.31Å; A216-E218 PolarHBondContact O-N 2.83Å
219	Y	90.4	Very high	88.1	Confident	35 Å²	35	36.2 Å²	36.2	14%	0.137	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-63.3	139.9	-175.4	-81.7	-83.9	0	0	0	110.6	P66 P67 V71 Y73 L209 N210 S217 E221	P66-Y219 HydrophobicContact CB-CD2 4.07Å; P66-Y219 HydrophobicContact CB-CG 4.09Å; P66-Y219 HydrophobicContact CG-CG 4.33Å; P67-Y219 VanDerWaalsContact CD-CE1 3.44Å; P67-Y219 HydrophobicContact CG-CE1 3.96Å; V71-Y219 VanDerWaalsContact C-OH 3.24Å; V71-Y219 PolarHBondContact O-OH 2.84Å; Y73-Y219 HydrophobicContact CD2-CE1 4.25Å; Y73-Y219 HydrophobicContact CE2-CD1 4.42Å; Y73-Y219 HydrophobicContact CE2-CE1 4.29Å; L209-Y219 CarbonylContact O-C 3.48Å; L209-Y219 WeakPolarHBondContact O-CA 3.38Å; N210-Y219 HydrophobicContact CB-CD1 3.62Å; N210-Y219 HydrophobicContact CB-CE1 3.71Å; N210-Y219 HydrophobicContact CB-CG 4.18Å; S217-Y219 VanDerWaalsContact CB-CD2 3.46Å; S217-Y219 PolarHBondContact O-N 3.46Å; Y219-E221 PolarHBondContact O-N 3.5Å
220	F	91.3	Very high	87.6	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.187	C	C	.	.			trans	-67.9	120.3	159.7	172.8	-88.8	0	0	0	109.1	I64 F97 P99 L108 L110 L209	I64-F220 HydrophobicContact CB-CD1 3.83Å; I64-F220 HydrophobicContact CB-CE1 3.91Å; I64-F220 HydrophobicContact CG1-CD1 3.94Å; I64-F220 HydrophobicContact CG1-CE1 3.78Å; I64-F220 HydrophobicContact CG2-CD1 4.03Å; I64-F220 VanDerWaalsContact CG2-O 3.26Å; I64-F220 WeakPolarHBondContact CG2-O 3.45Å; F97-F220 HydrophobicContact CB-CE2 4.19Å; F97-F220 HydrophobicContact CB-CZ 3.98Å; F97-F220 AromaticContact CD2-CE2 3.69Å; F97-F220 HydrophobicContact CD2-CE2 3.69Å; F97-F220 HydrophobicContact CD2-CZ 4.27Å; F97-F220 HydrophobicContact CG-CE2 4.26Å; P99-F220 HydrophobicContact CB-CE2 3.85Å; L108-F220 HydrophobicContact CD1-CB 4.33Å; L108-F220 HydrophobicContact CD1-CD2 3.89Å; L108-F220 HydrophobicContact CD2-CD2 3.99Å; L110-F220 HydrophobicContact CD2-CD2 3.79Å; L110-F220 HydrophobicContact CD2-CE2 4.28Å; L110-F220 HydrophobicContact CD2-CG 4.41Å; L209-F220 HydrophobicContact CB-CB 3.98Å; L209-F220 HydrophobicContact CD1-CD1 4.47Å; L209-F220 HydrophobicContact CD2-CB 4.05Å; L209-F220 HydrophobicContact CD2-CD1 4.04Å; L209-F220 HydrophobicContact CD2-CG 4.1Å; L209-F220 PolarHBondContact O-N 3.34Å
221	E	89	Confident	87.2	Confident	55 Å²	55	37.7 Å²	37.7	26%	0.257	20%	0.196	S	C	.	.			trans	-111.3	141.6	165.7	-170.3	-166.7	142.2	0	0	108.5	N100 A103 Y219	N100-E221 HydrophobicContact CB-CB 4.25Å; N100-E221 HydrophobicContact CB-CG 4.22Å; N100-E221 PolarHBondContact N-O 2.98Å; N100-E221 PolarHBondContact ND2-OE1 3Å; A103-E221 HydrophobicContact CB-CB 4.03Å; Y219-E221 PolarHBondContact O-N 3.5Å
222	G	88.6	Confident	86.3	Confident	7 Å²	7	39.3 Å²	39.3	7%	0.072	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	142.6	-134.8	178	0	0	0	0	0	111.8	K63 I64 K98	K63-G222 CarbonylContact C-O 3.56Å; I64-G222 PolarHBondContact N-O 3.45Å; I64-G222 PolarHBondContact O-N 3.4Å; K98-G222 WeakPolarHBondContact O-CA 3.18Å
223	Y	87.4	Confident	85.2	Confident	91 Å²	91	45.4 Å²	45.4	36%	0.357	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	133.1	-178.6	-67.7	-86.1	0	0	0	111.6	P61 I62 K63 F97 K98 Y160	P61-Y223 HydrophobicContact CB-CD1 4.03Å; P61-Y223 HydrophobicContact CB-CG 4.45Å; P61-Y223 HydrophobicContact CG-CD1 3.64Å; P61-Y223 HydrophobicContact CG-CE1 4.34Å; P61-Y223 HydrophobicContact CG-CG 4.27Å; I62-Y223 CarbonylContact O-C 3.58Å; I62-Y223 VanDerWaalsContact O-CA 3.28Å; I62-Y223 WeakPolarHBondContact O-CA 3.32Å; K63-Y223 HydrophobicContact CB-CD1 4.08Å; K63-Y223 HydrophobicContact CB-CE1 3.86Å; K63-Y223 HydrophobicContact CG-CD1 4.27Å; K63-Y223 HydrophobicContact CG-CE1 3.86Å; F97-Y223 CarbonylContact C-O 3.51Å; F97-Y223 VanDerWaalsContact CA-O 3.25Å; F97-Y223 WeakPolarHBondContact CA-O 3.29Å; K98-Y223 PolarHBondContact N-O 3.25Å; K98-Y223 PolarHBondContact O-N 2.9Å; Y160-Y223 VanDerWaalsContact OH-CB 3.25Å; Y160-Y223 WeakPolarHBondContact OH-CB 3.36Å
224	L	85.4	Confident	84.2	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	128.6	174.4	-171	65	0	0	0	110.4	T44 L47 I62 I64 F97 L209 A226 F227	T44-L224 HydrophobicContact CG2-CD2 4.22Å; L47-L224 HydrophobicContact CD1-CD2 4.32Å; I62-L224 PolarHBondContact N-O 3Å; I62-L224 PolarHBondContact O-N 3.11Å; I64-L224 HydrophobicContact CD1-CB 4.05Å; I64-L224 HydrophobicContact CD1-CD2 4.49Å; I64-L224 HydrophobicContact CG1-CB 3.8Å; F97-L224 HydrophobicContact CB-CD1 3.92Å; L209-L224 HydrophobicContact CD1-CD2 4.04Å; L209-L224 HydrophobicContact CD2-CD2 4.45Å; L224-A226 WeakPolarHBondContact CD1-O 3.48Å; L224-F227 HydrophobicContact CD1-CB 4.23Å; L224-F227 HydrophobicContact CD2-CB 4.19Å
225	K	81.1	Confident	83.5	Confident	79 Å²	79	40.9 Å²	40.9	34%	0.343	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	-33.6	179.6	-178.8	175.1	173	-174.6	0	111.9	I96 Y160	I96-K225 HydrophobicContact CB-CB 4.18Å; I96-K225 HydrophobicContact CG2-CB 4.05Å; I96-K225 HydrophobicContact CG2-CD 3.94Å; I96-K225 HydrophobicContact CG2-CG 4.31Å; I96-K225 WeakPolarHBondContact O-CA 3.03Å; I96-K225 WeakPolarHBondContact O-CB 3.34Å; I96-K225 PolarHBondContact O-N 3.07Å; Y160-K225 HydrophobicContact CD1-CB 4.29Å; Y160-K225 HydrophobicContact CD1-CD 4.48Å; Y160-K225 HydrophobicContact CE1-CB 4.2Å
226	A	82.2	Confident	82.9	Confident	23 Å²	23	34.8 Å²	34.8	19%	0.19	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	151.3	169.9	0	0	0	0	0	111.2	L95 I96 L224	L95-A226 CarbonylContact C-O 3.56Å; L95-A226 VanDerWaalsContact CA-O 3.31Å; L95-A226 WeakPolarHBondContact CA-O 3.32Å; I96-A226 HydrophobicContact CB-CB 4.1Å; I96-A226 HydrophobicContact CD1-CB 4.22Å; I96-A226 HydrophobicContact CG1-CB 4.09Å; I96-A226 PolarHBondContact N-O 3.41Å; I96-A226 PolarHBondContact O-N 3.25Å; L224-A226 WeakPolarHBondContact CD1-O 3.48Å
227	F	88.9	Confident	82.1	Confident	1 Å²	1	38.1 Å²	38.1	0%	0.004	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	114	168.9	-178.2	-173.2	0	0	0	106.9	I43 T44 I93 H94 L95 F111 F206 A208 L224 F229	I43-F227 HydrophobicContact CB-CB 4.27Å; I43-F227 HydrophobicContact CB-CD1 3.75Å; I43-F227 HydrophobicContact CB-CD2 4.09Å; I43-F227 HydrophobicContact CB-CE1 4.06Å; I43-F227 HydrophobicContact CB-CE2 4.35Å; I43-F227 HydrophobicContact CB-CG 3.76Å; I43-F227 HydrophobicContact CB-CZ 4.32Å; I43-F227 HydrophobicContact CG1-CD1 4.49Å; I43-F227 HydrophobicContact CG1-CD2 4.12Å; I43-F227 HydrophobicContact CG1-CE1 4.46Å; I43-F227 HydrophobicContact CG1-CE2 4.07Å; I43-F227 HydrophobicContact CG1-CG 4.32Å; I43-F227 HydrophobicContact CG1-CZ 4.23Å; I43-F227 HydrophobicContact CG2-CD1 3.54Å; I43-F227 HydrophobicContact CG2-CE1 3.53Å; I43-F227 HydrophobicContact CG2-CG 4.11Å; I43-F227 HydrophobicContact CG2-CZ 4.07Å; I43-F227 PolarHBondContact N-O 2.78Å; T44-F227 PolarHBondContact N-O 3.15Å; T44-F227 WeakPolarHBondContact OG1-CB 3.05Å; T44-F227 PolarHBondContact OG1-N 3.11Å; T44-F227 PolarHBondContact OG1-O 3.07Å; I93-F227 HydrophobicContact CG2-CE2 4.15Å; H94-F227 CarbonylContact O-C 3.1Å; H94-F227 VanDerWaalsContact O-CA 3.24Å; H94-F227 WeakPolarHBondContact O-CA 3.5Å; L95-F227 HydrophobicContact CD1-CD2 4.38Å; L95-F227 HydrophobicContact CD1-CE2 4.47Å; L95-F227 HydrophobicContact CD2-CB 4.11Å; L95-F227 HydrophobicContact CD2-CD1 3.93Å; L95-F227 HydrophobicContact CD2-CD2 3.54Å; L95-F227 HydrophobicContact CD2-CE1 4.23Å; L95-F227 HydrophobicContact CD2-CE2 3.89Å; L95-F227 HydrophobicContact CD2-CG 3.58Å; L95-F227 HydrophobicContact CD2-CZ 4.23Å; L95-F227 HydrophobicContact CG-CB 4.34Å; L95-F227 HydrophobicContact CG-CD2 3.59Å; L95-F227 HydrophobicContact CG-CE2 4.1Å; L95-F227 HydrophobicContact CG-CG 4.01Å; F111-F227 HydrophobicContact CB-CE1 4.35Å; F111-F227 HydrophobicContact CB-CZ 3.95Å; F111-F227 HydrophobicContact CD1-CE2 4.39Å; F111-F227 AromaticContact CD1-CZ 3.86Å; F111-F227 HydrophobicContact CD1-CZ 3.86Å; F111-F227 HydrophobicContact CG-CZ 4.19Å; F206-F227 HydrophobicContact CZ-CZ 4.22Å; A208-F227 HydrophobicContact CB-CE1 4.08Å; L224-F227 HydrophobicContact CD1-CB 4.23Å; L224-F227 HydrophobicContact CD2-CB 4.19Å; F227-F229 HydrophobicContact CE2-CD1 4.33Å; F227-F229 AromaticContact CE2-CE1 3.67Å; F227-F229 HydrophobicContact CE2-CE1 3.67Å; F227-F229 AromaticContact CE2-CZ 3.97Å; F227-F229 HydrophobicContact CE2-CZ 3.97Å; F227-F229 HydrophobicContact CZ-CE1 4.21Å; F227-F229 HydrophobicContact CZ-CZ 4.08Å
228	S	88.2	Confident	81.3	Confident	13 Å²	13	39 Å²	39	9%	0.091	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	159.3	179.6	58.7	0	0	0	0	112.9	W41 H94 H230	W41-S228 CarbonylContact O-C 3.44Å; W41-S228 WeakPolarHBondContact O-CA 3.28Å; W41-S228 VanDerWaalsContact O-CB 3.25Å; W41-S228 WeakPolarHBondContact O-CB 3.19Å; H94-S228 PolarHBondContact N-O 3.02Å; H94-S228 PolarHBondContact O-N 3.25Å; S228-H230 PolarHBondContact OG-NE2 2.91Å
229	F	90.5	Very high	80.3	Confident	1 Å²	1	37 Å²	37	0%	0.004	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	144.2	169.4	-63.3	-36.6	0	0	0	109.6	N40 W41 I43 L80 F81 F91 F92 I93 F206 F227	N40-F229 CarbonylContact C-O 3.5Å; N40-F229 VanDerWaalsContact CA-O 3.31Å; N40-F229 WeakPolarHBondContact CA-O 3.24Å; W41-F229 HydrophobicContact CB-CB 4.38Å; W41-F229 HydrophobicContact CB-CD2 4.48Å; W41-F229 PolarHBondContact N-O 2.03Å; W41-F229 PolarHBondContact O-N 3.28Å; I43-F229 HydrophobicContact CD1-CD2 3.69Å; I43-F229 HydrophobicContact CD1-CE2 3.74Å; I43-F229 HydrophobicContact CD1-CG 4.5Å; I43-F229 HydrophobicContact CG1-CD2 4Å; I43-F229 HydrophobicContact CG1-CE2 3.98Å; I43-F229 HydrophobicContact CG1-CG 4.41Å; I43-F229 HydrophobicContact CG1-CZ 4.4Å; L80-F229 HydrophobicContact CD1-CE2 4.23Å; F81-F229 HydrophobicContact CZ-CD2 4.27Å; F81-F229 HydrophobicContact CZ-CE2 4.15Å; F91-F229 HydrophobicContact CE1-CD1 4.38Å; F91-F229 HydrophobicContact CE2-CB 3.8Å; F91-F229 HydrophobicContact CE2-CD1 4.39Å; F91-F229 HydrophobicContact CE2-CG 4.08Å; F91-F229 HydrophobicContact CZ-CB 3.92Å; F91-F229 AromaticContact CZ-CD1 3.67Å; F91-F229 HydrophobicContact CZ-CD1 3.67Å; F91-F229 HydrophobicContact CZ-CD2 4.11Å; F91-F229 HydrophobicContact CZ-CE1 4.15Å; F91-F229 AromaticContact CZ-CG 3.65Å; F91-F229 HydrophobicContact CZ-CG 3.65Å; F92-F229 CarbonylContact O-C 3.55Å; F92-F229 WeakPolarHBondContact O-CA 3.39Å; I93-F229 HydrophobicContact CB-CD1 4.18Å; I93-F229 HydrophobicContact CB-CE1 4.25Å; I93-F229 HydrophobicContact CD1-CE1 4.17Å; I93-F229 HydrophobicContact CG1-CD1 3.85Å; I93-F229 HydrophobicContact CG1-CE1 3.85Å; I93-F229 HydrophobicContact CG2-CD1 3.91Å; I93-F229 HydrophobicContact CG2-CE1 3.67Å; F206-F229 AromaticContact CE2-CE2 3.76Å; F206-F229 HydrophobicContact CE2-CE2 3.76Å; F206-F229 AromaticContact CE2-CZ 3.64Å; F206-F229 HydrophobicContact CE2-CZ 3.64Å; F206-F229 AromaticContact CZ-CE2 3.85Å; F206-F229 HydrophobicContact CZ-CE2 3.85Å; F206-F229 AromaticContact CZ-CZ 3.83Å; F206-F229 HydrophobicContact CZ-CZ 3.83Å; F227-F229 HydrophobicContact CE2-CD1 4.33Å; F227-F229 AromaticContact CE2-CE1 3.67Å; F227-F229 HydrophobicContact CE2-CE1 3.67Å; F227-F229 AromaticContact CE2-CZ 3.97Å; F227-F229 HydrophobicContact CE2-CZ 3.97Å; F227-F229 HydrophobicContact CZ-CE1 4.21Å; F227-F229 HydrophobicContact CZ-CZ 4.08Å
230	H	84.4	Confident	79	Confident	5 Å²	5	36.7 Å²	36.7	2%	0.023	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	155.9	174.3	-48.2	-105.5	0	0	0	109.9	V39 N40 F91 F92 S228 A235 Y238 F255	V39-H230 CarbonylContact O-C 3.58Å; V39-H230 VanDerWaalsContact O-C 3.31Å; V39-H230 WeakPolarHBondContact O-CA 3.22Å; N40-H230 VanDerWaalsContact OD1-CA 3.27Å; N40-H230 WeakPolarHBondContact OD1-CA 3.25Å; F91-H230 WeakPolarHBondContact CD2-O 3.46Å; F92-H230 HydrophobicContact CB-CB 4.33Å; F92-H230 AromaticContact CD1-CD2 3.99Å; F92-H230 PolarHBondContact N-O 3.22Å; F92-H230 PolarHBondContact O-N 3.13Å; S228-H230 PolarHBondContact OG-NE2 2.91Å; H230-A235 HydrophobicContact CB-CB 3.94Å; H230-Y238 AromaticContact ND1-CD2 3.9Å; H230-F255 AromaticContact CE1-CE1 3.97Å
231	S	84.1	Confident	77.4	Confident	25 Å²	25	39.8 Å²	39.8	18%	0.175	20%	0.202	C	C	.	.			trans	-128.9	23.6	177.8	79.6	0	0	0	0	114.3	G38 V39 N40 T90	G38-S231 VanDerWaalsContact CA-OG 3.26Å; G38-S231 WeakPolarHBondContact CA-OG 2.87Å; V39-S231 PolarHBondContact N-OG 2.74Å; V39-S231 PolarHBondContact O-N 2.9Å; N40-S231 PolarHBondContact OD1-N 2.79Å; T90-S231 WeakPolarHBondContact CG2-O 3.3Å
232	D	75.5	Confident	75.1	Confident	34 Å²	34	42.7 Å²	42.7	18%	0.182	21%	0.214	C	C	.	.	S	Bend	trans	-109	161	175.4	69.1	100.1	0	0	0	112.4	N234 A235 Y238	D232-N234 VanDerWaalsContact C-N 3.31Å; D232-N234 PolarHBondContact O-N 2.75Å; D232-N234 WeakPolarHBondContact OD1-CA 3.18Å; D232-N234 WeakPolarHBondContact OD1-CB 3.29Å; D232-N234 PolarHBondContact OD1-N 3.47Å; D232-N234 VanDerWaalsContact OD1-N 3.09Å; D232-A235 WeakPolarHBondContact O-CB 3.31Å; D232-A235 PolarHBondContact O-N 3.39Å; D232-A235 PolarHBondContact OD1-N 2.82Å; D232-Y238 VanDerWaalsContact OD1-CE2 3.25Å; D232-Y238 WeakPolarHBondContact OD1-CE2 3.46Å; D232-Y238 PolarHBondContact OD1-OH 2.8Å; D232-Y238 WeakPolarHBondContact OD2-CE2 3.26Å
233	E	69.4	Low	72.7	Confident	130 Å²	130	45.4 Å²	45.4	61%	0.607	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-23.1	-177.8	-66.4	-145.7	101.8	0	0	114.1	T90 K168 A235	T90-E233 HydrophobicContact CG2-CG 4.36Å; K168-E233 IonicContact NZ-OE1 3.5Å; K168-E233 PolarHBondContact NZ-OE1 3.07Å; E233-A235 PolarHBondContact O-N 2.86Å
234	N	71.6	Confident	69.8	Low	77 Å²	77	48.9 Å²	48.9	41%	0.412	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	2.7	-179.3	-64.1	-58.3	0	0	0	112.4	D232 L236 Q237 Y238	D232-N234 VanDerWaalsContact C-N 3.31Å; D232-N234 PolarHBondContact O-N 2.75Å; D232-N234 WeakPolarHBondContact OD1-CA 3.18Å; D232-N234 WeakPolarHBondContact OD1-CB 3.29Å; D232-N234 PolarHBondContact OD1-N 3.47Å; D232-N234 VanDerWaalsContact OD1-N 3.09Å; N234-L236 PolarHBondContact O-N 3.36Å; N234-Q237 WeakPolarHBondContact O-CA 3.47Å; N234-Q237 VanDerWaalsContact O-CB 3.23Å; N234-Q237 WeakPolarHBondContact O-CB 3.45Å; N234-Q237 PolarHBondContact O-N 3.48Å; N234-Q237 PolarHBondContact OD1-NE2 2.86Å; N234-Y238 HydrophobicContact CB-CE1 4.15Å; N234-Y238 WeakPolarHBondContact CB-OH 3.11Å
235	A	69	Low	67.3	Low	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-53.3	-33.7	-174.6	0	0	0	0	0	114.9	F92 H230 D232 E233 Q237 Y238 M239	F92-A235 HydrophobicContact CB-CB 3.37Å; F92-A235 HydrophobicContact CD1-CB 3.52Å; F92-A235 HydrophobicContact CD2-CB 4.34Å; F92-A235 HydrophobicContact CE1-CB 4.34Å; F92-A235 VanDerWaalsContact CE1-O 3.29Å; F92-A235 WeakPolarHBondContact CE1-O 3.49Å; F92-A235 HydrophobicContact CG-CB 3.51Å; H230-A235 HydrophobicContact CB-CB 3.94Å; D232-A235 WeakPolarHBondContact O-CB 3.31Å; D232-A235 PolarHBondContact O-N 3.39Å; D232-A235 PolarHBondContact OD1-N 2.82Å; E233-A235 PolarHBondContact O-N 2.86Å; A235-Q237 VanDerWaalsContact C-N 3.3Å; A235-Q237 PolarHBondContact O-N 3.26Å; A235-Y238 VanDerWaalsContact CA-CD2 3.49Å; A235-Y238 HydrophobicContact CB-CD2 4.4Å; A235-Y238 HydrophobicContact CB-CE2 4.43Å; A235-Y238 PolarHBondContact O-N 3.02Å; A235-M239 PolarHBondContact O-N 2.9Å
236	L	70.2	Confident	64.9	Low	39 Å²	39	55.7 Å²	55.7	20%	0.204	29%	0.286	C	S	.	.	H	α-helix	trans	-65	-30.2	174.3	-176.4	61.1	0	0	0	113.1	Y175 N234 Y238 M239 C240	Y175-L236 HydrophobicContact CD1-CD1 3.7Å; Y175-L236 HydrophobicContact CD1-CD2 4.41Å; Y175-L236 HydrophobicContact CD2-CD1 3.77Å; Y175-L236 HydrophobicContact CE1-CD1 3.79Å; Y175-L236 HydrophobicContact CE1-CD2 3.71Å; Y175-L236 HydrophobicContact CE1-CG 4.43Å; Y175-L236 HydrophobicContact CE2-CD1 3.86Å; Y175-L236 HydrophobicContact CE2-CD2 4.38Å; Y175-L236 HydrophobicContact CG-CD1 3.69Å; N234-L236 PolarHBondContact O-N 3.36Å; L236-Y238 VanDerWaalsContact C-N 3.31Å; L236-Y238 PolarHBondContact O-N 3.27Å; L236-M239 HydrophobicContact CD1-SD 4.17Å; L236-M239 WeakPolarHBondContact O-CB 3.19Å; L236-M239 PolarHBondContact O-N 2.64Å; L236-C240 PolarHBondContact O-N 2.91Å
237	Q	67.5	Low	62.3	Low	115 Å²	115	56.4 Å²	56.4	54%	0.537	30%	0.295	S	S	.	.	H	α-helix	trans	-65.6	-36.3	175.5	-58.7	174.3	12	0	0	110.9	N234 A235 M239 C240 T241	N234-Q237 WeakPolarHBondContact O-CA 3.47Å; N234-Q237 VanDerWaalsContact O-CB 3.23Å; N234-Q237 WeakPolarHBondContact O-CB 3.45Å; N234-Q237 PolarHBondContact O-N 3.48Å; N234-Q237 PolarHBondContact OD1-NE2 2.86Å; A235-Q237 VanDerWaalsContact C-N 3.3Å; A235-Q237 PolarHBondContact O-N 3.26Å; Q237-M239 VanDerWaalsContact C-N 3.33Å; Q237-M239 PolarHBondContact O-N 2.92Å; Q237-C240 CarbonylContact O-C 3.57Å; Q237-C240 PolarHBondContact O-N 3.43Å; Q237-T241 PolarHBondContact O-N 3.1Å
238	Y	64.4	Low	59.4	Low	40 Å²	40	56.7 Å²	56.7	16%	0.157	30%	0.299	C	S	.	.	H	α-helix	trans	-73.8	-26.1	-178.5	-41	-38.1	0	0	0	113	H230 D232 N234 A235 L236 C240 T241 R254	H230-Y238 AromaticContact ND1-CD2 3.9Å; D232-Y238 VanDerWaalsContact OD1-CE2 3.25Å; D232-Y238 WeakPolarHBondContact OD1-CE2 3.46Å; D232-Y238 PolarHBondContact OD1-OH 2.8Å; D232-Y238 WeakPolarHBondContact OD2-CE2 3.26Å; N234-Y238 HydrophobicContact CB-CE1 4.15Å; N234-Y238 WeakPolarHBondContact CB-OH 3.11Å; A235-Y238 VanDerWaalsContact CA-CD2 3.49Å; A235-Y238 HydrophobicContact CB-CD2 4.4Å; A235-Y238 HydrophobicContact CB-CE2 4.43Å; A235-Y238 PolarHBondContact O-N 3.02Å; L236-Y238 VanDerWaalsContact C-N 3.31Å; L236-Y238 PolarHBondContact O-N 3.27Å; Y238-C240 PolarHBondContact O-N 3.44Å; Y238-T241 PolarHBondContact O-OG1 2.71Å; Y238-R254 VanDerWaalsContact CE1-CZ 3.43Å; Y238-R254 VanDerWaalsContact CE2-CZ 3.47Å
239	M	68.1	Low	56.6	Low	7 Å²	7	60.9 Å²	60.9	3%	0.034	33%	0.328	C	S	.	.	H	α-helix	trans	-60	-38.5	166.1	-169.7	-170.3	166	0	0	110.2	F92 H162 Y175 C178 A235 L236 Q237	F92-M239 HydrophobicContact CE1-CB 4.16Å; F92-M239 HydrophobicContact CZ-CB 3.94Å; F92-M239 HydrophobicContact CZ-CG 4.35Å; F92-M239 HydrophobicContact CZ-SD 4.12Å; H162-M239 PolarHBondContact CE1-O 3.37Å; H162-M239 WeakPolarHBondContact NE2-CG 3.34Å; H162-M239 PolarHBondContact NE2-O 3.38Å; H162-M239 WeakPolarHBondContact O-CE 3.33Å; Y175-M239 HydrophobicContact CG-SD 4.42Å; C178-M239 VanDerWaalsContact SG-CG 3.55Å; C178-M239 PolarHBondContact SG-O 2.8Å; C178-M239 VanDerWaalsContact SG-O 3.33Å; A235-M239 PolarHBondContact O-N 2.9Å; L236-M239 HydrophobicContact CD1-SD 4.17Å; L236-M239 WeakPolarHBondContact O-CB 3.19Å; L236-M239 PolarHBondContact O-N 2.64Å; Q237-M239 VanDerWaalsContact C-N 3.33Å; Q237-M239 PolarHBondContact O-N 2.92Å
240	C	62.8	Low	53.7	Low	29 Å²	29	62.6 Å²	62.6	20%	0.196	35%	0.346	C	S	.	.	H	α-helix	trans	-107.7	-0	-166.8	-57.1	0	0	0	0	116.2	C178 L236 Q237 Y238 K242	C178-C240 WeakPolarHBondContact CA-SG 3.28Å; C178-C240 HydrophobicContact CB-CB 3.48Å; C178-C240 VanDerWaalsContact CB-CB 3.48Å; C178-C240 WeakPolarHBondContact CB-SG 3.27Å; C178-C240 WeakPolarHBondContact SG-CA 3.28Å; C178-C240 WeakPolarHBondContact SG-CB 3.28Å; C178-C240 PolarHBondContact SG-N 2.98Å; C178-C240 VanDerWaalsContact SG-N 3.45Å; C178-C240 CovalentContact SG-SG 2.04Å; C178-C240 PolarHBondContact SG-SG 2.94Å; L236-C240 PolarHBondContact O-N 2.91Å; Q237-C240 CarbonylContact O-C 3.57Å; Q237-C240 PolarHBondContact O-N 3.43Å; Y238-C240 PolarHBondContact O-N 3.44Å; C240-K242 PolarHBondContact O-N 3.13Å
241	T	57	Low	51.4	Low	64 Å²	64	67.5 Å²	67.5	39%	0.393	37%	0.373	S	S	.	.			trans	-62.6	106.5	165.7	39	0	0	0	0	109.8	Q237 Y238	Q237-T241 PolarHBondContact O-N 3.1Å; Y238-T241 PolarHBondContact O-OG1 2.71Å
242	K	41.4	Very low	49.1	Very low	116 Å²	116	66.7 Å²	66.7	50%	0.504	37%	0.367	S	S	.	.			trans	-54.3	158	169.6	-70.2	174.4	-178.6	158.4	0	110.6	E180 C240 E244	E180-K242 WeakPolarHBondContact OE1-CE 3.1Å; E180-K242 IonicContact OE1-NZ 3.01Å; E180-K242 PolarHBondContact OE1-NZ 2.79Å; E180-K242 IonicContact OE2-NZ 2.71Å; E180-K242 PolarHBondContact OE2-NZ 3.05Å; C240-K242 PolarHBondContact O-N 3.13Å; K242-E244 PolarHBondContact O-N 2.98Å
243	S	37.1	Very low	47.3	Very low	64 Å²	64	70.8 Å²	70.8	45%	0.448	39%	0.389	S	S	.	.	S	Bend	trans	-67.5	-0.3	-179.6	47.8	0	0	0	0	115.2
244	E	27.6	Very low	45.7	Very low	165 Å²	165	67.4 Å²	67.4	77%	0.771	37%	0.371	S	S	*	.	S	Bend	trans	-100.8	115.1	168.9	-67.4	173.4	-160.3	0	0	108.2	K242	K242-E244 PolarHBondContact O-N 2.98Å
245	N	32.8	Very low	44	Very low	142 Å²	142	65.8 Å²	65.8	76%	0.759	36%	0.36	S	S	*	.			trans	72.7	47	-167.6	-46.5	-73.5	0	0	0	116.1	G247	N245-G247 PolarHBondContact O-N 3.34Å
246	Y	30.3	Very low	42.4	Very low	79 Å²	79	70.7 Å²	70.7	31%	0.31	38%	0.382	S	S	.	.			trans	-69.9	61.5	135.6	-134.5	-83.5	0	0	0	108.7	K511 Q633	Y246-K511 WeakPolarHBondContact O-CE 3.21Å; Y246-K511 PolarHBondContact O-NZ 2.81Å; Y246-Q633 WeakPolarHBondContact O-CB 3.39Å
247	G	27.8	Very low	40.7	Very low	38 Å²	38	71.2 Å²	71.2	39%	0.392	38%	0.381	S	S	.	.			trans	-100.2	117.6	176.1	0	0	0	0	0	107	N245 Q633	N245-G247 PolarHBondContact O-N 3.34Å; G247-Q633 WeakPolarHBondContact CA-O 2.95Å
248	G	27.9	Very low	39.1	Very low	8 Å²	8	67.3 Å²	67.3	8%	0.082	36%	0.364	C	S	.	.			trans	-55.8	152.1	-171.2	0	0	0	0	0	112.6	R630	G248-R630 WeakPolarHBondContact O-CD 3.42Å; G248-R630 PolarHBondContact O-NH1 2.83Å
249	S	29.8	Very low	37.7	Very low	100 Å²	100	70.8 Å²	70.8	70%	0.699	39%	0.392	S	S	*	.			trans	-119.2	140.3	141.9	-164.8	0	0	0	0	105.3	D251	S249-D251 VanDerWaalsContact C-N 3.33Å; S249-D251 PolarHBondContact O-N 3.47Å
250	G	28.8	Very low	36.2	Very low	37 Å²	37	76.9 Å²	76.9	38%	0.381	42%	0.42	S	S	.	.			trans	-77.4	66.9	-156.2	0	0	0	0	0	116
251	D	36.4	Very low	35	Very low	109 Å²	109	76.5 Å²	76.5	58%	0.583	42%	0.415	S	S	*	.			trans	-95.6	84.2	166.8	-81	-51.5	0	0	0	110.9	S249 D253 R254	S249-D251 VanDerWaalsContact C-N 3.33Å; S249-D251 PolarHBondContact O-N 3.47Å; D251-D253 PolarHBondContact O-N 3.43Å; D251-R254 HydrophobicContact CB-CB 4.04Å; D251-R254 VanDerWaalsContact O-CB 3.26Å; D251-R254 WeakPolarHBondContact O-CB 3.34Å; D251-R254 PolarHBondContact O-N 3.13Å
252	A	35.9	Very low	33.6	Very low	7 Å²	7	76 Å²	76	6%	0.058	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-69	-22.2	179.2	0	0	0	0	0	113.5	R254 D547 M548 Y621	A252-R254 PolarHBondContact O-N 2.98Å; A252-D547 HydrophobicContact CB-CB 3.32Å; A252-D547 VanDerWaalsContact CB-CG 3.46Å; A252-M548 WeakPolarHBondContact O-CE 3.28Å; A252-Y621 HydrophobicContact CB-CE1 4.4Å; A252-Y621 HydrophobicContact CB-CE2 4.29Å; A252-Y621 WeakPolarHBondContact CB-OH 3.47Å
253	D	37	Very low	33	Very low	120 Å²	120	76.6 Å²	76.6	64%	0.642	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-78.9	-1.7	177.8	-71.2	0.2	0	0	0	113.3	D251 F255 Y621	D251-D253 PolarHBondContact O-N 3.43Å; D253-F255 VanDerWaalsContact C-N 3.3Å; D253-F255 PolarHBondContact O-N 2.96Å; D253-Y621 PolarHBondContact N-OH 3.15Å; D253-Y621 WeakPolarHBondContact OD1-CE2 3.43Å; D253-Y621 PolarHBondContact OD1-OH 2.87Å
254	R	37.6	Very low	32.5	Very low	60 Å²	60	78.3 Å²	78.3	23%	0.226	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-77.5	-2.3	-165.5	-170.2	161	152.8	-133.3	-24	116.1	N40 Y238 D251 A252	N40-R254 WeakPolarHBondContact CB-O 3.45Å; N40-R254 PolarHBondContact ND2-O 2.92Å; N40-R254 VanDerWaalsContact ND2-O 3.08Å; Y238-R254 VanDerWaalsContact CE1-CZ 3.43Å; Y238-R254 VanDerWaalsContact CE2-CZ 3.47Å; D251-R254 HydrophobicContact CB-CB 4.04Å; D251-R254 VanDerWaalsContact O-CB 3.26Å; D251-R254 WeakPolarHBondContact O-CB 3.34Å; D251-R254 PolarHBondContact O-N 3.13Å; A252-R254 PolarHBondContact O-N 2.98Å
255	F	35.1	Very low	32.5	Very low	43 Å²	43	77.7 Å²	77.7	19%	0.189	44%	0.435	C	S	.	.	S	Bend	trans	-136.7	146.5	161.3	-62	-82.7	0	0	0	108.6	N40 H230 D253 Y257 M548	N40-F255 HydrophobicContact CB-CD1 4.13Å; H230-F255 AromaticContact CE1-CE1 3.97Å; D253-F255 VanDerWaalsContact C-N 3.3Å; D253-F255 PolarHBondContact O-N 2.96Å; F255-Y257 HydrophobicContact CB-CE2 4.21Å; F255-M548 HydrophobicContact CB-CE 3.59Å; F255-M548 HydrophobicContact CB-SD 4.21Å; F255-M548 HydrophobicContact CD2-CE 4.37Å; F255-M548 HydrophobicContact CD2-SD 4.05Å; F255-M548 WeakPolarHBondContact O-CE 3.44Å
256	K	35.6	Very low	32.3	Very low	103 Å²	103	77.1 Å²	77.1	45%	0.448	43%	0.431	S	S	.	.			trans	-111.8	83.3	-174.4	-162.1	167.8	-169.8	172	0	113.3	N40 W41 D258	N40-K256 PolarHBondContact O-N 2.82Å; W41-K256 WeakPolarHBondContact CH2-O 3.21Å; W41-K256 WeakPolarHBondContact CZ3-O 3.29Å; K256-D258 PolarHBondContact O-N 2.96Å
257	Y	34.2	Very low	32.2	Very low	49 Å²	49	78.7 Å²	78.7	19%	0.192	45%	0.449	C	S	.	.			trans	-73.3	128.3	179.4	-62	-61.1	0	0	0	113.3	Y45 F255 P259 M548 F549	Y45-Y257 HydrophobicContact CD1-CD1 4.31Å; Y45-Y257 AromaticContact CD1-CE1 3.6Å; Y45-Y257 HydrophobicContact CD1-CE1 3.6Å; Y45-Y257 HydrophobicContact CE1-CD1 4.12Å; Y45-Y257 AromaticContact CE1-CE1 3.74Å; Y45-Y257 HydrophobicContact CE1-CE1 3.74Å; F255-Y257 HydrophobicContact CB-CE2 4.21Å; Y257-P259 WeakPolarHBondContact O-CD 3.3Å; Y257-M548 HydrophobicContact CD2-CB 3.96Å; Y257-M548 HydrophobicContact CD2-CE 4.04Å; Y257-M548 HydrophobicContact CD2-SD 4.39Å; Y257-M548 HydrophobicContact CE2-CB 3.91Å; Y257-M548 HydrophobicContact CE2-CE 3.8Å; Y257-M548 HydrophobicContact CE2-CG 4.41Å; Y257-M548 HydrophobicContact CE2-SD 3.67Å; Y257-F549 HydrophobicContact CD1-CZ 4.26Å; Y257-F549 AromaticContact CD2-CE1 3.89Å; Y257-F549 HydrophobicContact CD2-CE1 3.89Å; Y257-F549 AromaticContact CD2-CE2 3.93Å; Y257-F549 HydrophobicContact CD2-CE2 3.93Å; Y257-F549 AromaticContact CD2-CZ 3.35Å; Y257-F549 HydrophobicContact CD2-CZ 3.35Å; Y257-F549 HydrophobicContact CE1-CZ 4.29Å; Y257-F549 HydrophobicContact CE2-CE1 4.35Å; Y257-F549 AromaticContact CE2-CE2 3.6Å; Y257-F549 HydrophobicContact CE2-CE2 3.6Å; Y257-F549 AromaticContact CE2-CZ 3.38Å; Y257-F549 HydrophobicContact CE2-CZ 3.38Å; Y257-F549 HydrophobicContact CG-CE1 4.13Å; Y257-F549 AromaticContact CG-CZ 3.83Å; Y257-F549 HydrophobicContact CG-CZ 3.83Å; Y257-F549 AromaticContact CZ-CZ 3.88Å
258	D	33.5	Very low	32.2	Very low	34 Å²	34	82.7 Å²	82.7	18%	0.182	47%	0.47	C	S	.	.			trans	-73.5	118	165.4	173.1	8.6	0	0	0	110.1	R79 K256 E260 F261	R79-D258 IonicContact CZ-OD2 3.83Å; R79-D258 IonicContact NE-OD2 2.66Å; R79-D258 PolarHBondContact NE-OD2 3.02Å; R79-D258 IonicContact NH1-OD2 3.28Å; R79-D258 IonicContact NH2-OD2 2.74Å; K256-D258 PolarHBondContact O-N 2.96Å; D258-E260 WeakPolarHBondContact OD1-CA 3.42Å; D258-E260 WeakPolarHBondContact OD1-CB 3.4Å; D258-E260 PolarHBondContact OD1-N 3.35Å; D258-F261 HydrophobicContact CB-CB 4.14Å; D258-F261 HydrophobicContact CB-CD2 4.25Å; D258-F261 WeakPolarHBondContact O-CB 3.34Å; D258-F261 PolarHBondContact OD1-N 2.71Å
259	P	34.9	Very low	32.3	Very low	113 Å²	113	86 Å²	86	73%	0.734	49%	0.493	S	S	*	.	S	Bend	trans	-74.7	-25	176.6	30.8	-34.2	0	0	0	113.2	Y257 F261	Y257-P259 WeakPolarHBondContact O-CD 3.3Å; P259-F261 PolarHBondContact O-N 3.42Å
260	E	37.8	Very low	32.1	Very low	134 Å²	134	88.8 Å²	88.8	63%	0.626	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-75.9	-14.2	179.1	-57.3	-166.7	152.2	0	0	112.7	D258 G262 N263	D258-E260 WeakPolarHBondContact OD1-CA 3.42Å; D258-E260 WeakPolarHBondContact OD1-CB 3.4Å; D258-E260 PolarHBondContact OD1-N 3.35Å; E260-G262 PolarHBondContact O-N 2.7Å; E260-N263 PolarHBondContact O-N 3Å
261	F	35.9	Very low	32.2	Very low	22 Å²	22	95.3 Å²	95.3	10%	0.096	52%	0.518	C	S	.	.	G	3₁₀ helix	trans	-57	-12.9	-179.5	-148.5	-84	0	0	0	114.2	L46 R50 V75 D258 P259	L46-F261 HydrophobicContact CD2-CE1 4.35Å; L46-F261 HydrophobicContact CD2-CE2 4.43Å; L46-F261 HydrophobicContact CD2-CZ 4.2Å; R50-F261 HydrophobicContact CB-CE1 4.26Å; V75-F261 HydrophobicContact CG1-CE2 4.33Å; V75-F261 HydrophobicContact CG1-CZ 3.76Å; D258-F261 HydrophobicContact CB-CB 4.14Å; D258-F261 HydrophobicContact CB-CD2 4.25Å; D258-F261 WeakPolarHBondContact O-CB 3.34Å; D258-F261 PolarHBondContact OD1-N 2.71Å; P259-F261 PolarHBondContact O-N 3.42Å
262	G	29	Very low	31.9	Very low	52 Å²	52	96.4 Å²	96.4	54%	0.536	52%	0.524	S	S	.	.	G	3₁₀ helix	trans	-82.9	-7	175.2	0	0	0	0	0	116.4	E260	E260-G262 PolarHBondContact O-N 2.7Å
263	N	28.9	Very low	31.8	Very low	129 Å²	129	103.4 Å²	103.4	69%	0.69	56%	0.561	S	S	*	*			trans	-102.7	-3.4	-166.1	-67.9	-14.9	0	0	0	115.9	E260 L265	E260-N263 PolarHBondContact O-N 3Å; N263-L265 PolarHBondContact O-N 3.42Å
264	I	26.5	Very low	31.8	Very low	101 Å²	101	107.4 Å²	107.4	52%	0.518	58%	0.576	S	S	.	*			trans	-96.2	94.2	-175.3	-56	-179.7	0	0	0	110.5
265	L	27.8	Very low	31.8	Very low	151 Å²	151	113.8 Å²	113.8	79%	0.791	61%	0.608	S	S	*	*			trans	-64.2	140	162.3	-71.7	168.8	0	0	0	109.8	N263 T267	N263-L265 PolarHBondContact O-N 3.42Å; L265-T267 PolarHBondContact O-N 3.5Å
266	I	28.6	Very low	31.9	Very low	130 Å²	130	114.3 Å²	114.3	67%	0.667	63%	0.626	S	S	*	*			trans	-79.5	88.4	175.1	-57.3	176.2	0	0	0	108.5
267	T	27.6	Very low	32.1	Very low	112 Å²	112	115.9 Å²	115.9	69%	0.687	65%	0.646	S	S	*	*			trans	-85.1	113.4	166.3	50.2	0	0	0	0	109.7	L265 S269	L265-T267 PolarHBondContact O-N 3.5Å; T267-S269 PolarHBondContact O-N 3.01Å
268	S	27.5	Very low	32.7	Very low	122 Å²	122	122.6 Å²	122.6	85%	0.853	68%	0.679	S	S	*	*			trans	-78.6	77.6	-176.3	57.2	0	0	0	0	112.8
269	S	29.3	Very low	32.9	Very low	79 Å²	79	123.6 Å²	123.6	55%	0.552	70%	0.698	S	S	*	*			trans	-161.2	113.8	165.5	52.4	0	0	0	0	110.5	T267 Q271	T267-S269 PolarHBondContact O-N 3.01Å; S269-Q271 PolarHBondContact O-N 2.87Å
270	I	27.4	Very low	33.5	Very low	157 Å²	157	124 Å²	124	81%	0.805	70%	0.701	S	S	*	*			trans	-78.2	106.8	154	-59.9	174.4	0	0	0	105
271	Q	30.7	Very low	33.6	Very low	174 Å²	174	123.6 Å²	123.6	81%	0.813	71%	0.709	S	S	*	*			trans	-119	126.2	153.4	-71	-169.5	-95.7	0	0	105.8	S269	S269-Q271 PolarHBondContact O-N 2.87Å
272	D	29.4	Very low	33.7	Very low	132 Å²	132	126 Å²	126	71%	0.706	74%	0.741	S	S	*	*			trans	-73.7	-167	173.2	-60.1	-77.8	0	0	0	110.7
273	D	34.5	Very low	34.6	Very low	155 Å²	155	130.3 Å²	130.3	83%	0.829	76%	0.757	S	S	*	*			trans	87.3	88	173.5	-52.8	-29.4	0	0	0	116.8	E275	D273-E275 PolarHBondContact O-N 3.15Å
274	E	35.8	Very low	34.7	Very low	204 Å²	204	130.2 Å²	130.2	95%	0.953	77%	0.765	S	S	*	*			trans	-67.6	101.7	147.3	-75.8	-169.8	126.9	0	0	108.5	G276	E274-G276 PolarHBondContact O-N 3.08Å
275	E	37.7	Very low	35.6	Very low	193 Å²	193	131.2 Å²	131.2	90%	0.902	78%	0.778	S	S	*	*			trans	-68.1	115.4	179.6	-166.7	166	-154.4	0	0	111.1	D273	D273-E275 PolarHBondContact O-N 3.15Å
276	G	36.6	Very low	36.1	Very low	54 Å²	54	128.7 Å²	128.7	56%	0.557	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-68	161.2	-178.6	0	0	0	0	0	113.6	E274	E274-G276 PolarHBondContact O-N 3.08Å
277	P	41.5	Very low	36.8	Very low	136 Å²	136	129.2 Å²	129.2	88%	0.883	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-62.2	140.7	-171.9	25.2	-34.8	0	0	0	113.5	G279	P277-G279 PolarHBondContact O-N 3.2Å
278	E	45.3	Very low	37.1	Very low	190 Å²	190	130.3 Å²	130.3	89%	0.888	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-52.2	126.1	-174.8	-169.5	179.1	-171.6	0	0	113.2
279	G	37.6	Very low	37.6	Very low	55 Å²	55	128.4 Å²	128.4	57%	0.567	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-72.3	148.4	176.3	0	0	0	0	0	112.5	P277	P277-G279 PolarHBondContact O-N 3.2Å
280	P	47.5	Very low	37.9	Very low	122 Å²	122	129.5 Å²	129.5	79%	0.792	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-64.3	144.2	-175	26	-34.7	0	0	0	112.5	G282	P280-G282 PolarHBondContact O-N 2.84Å
281	P	39.8	Very low	38.4	Very low	125 Å²	125	128.7 Å²	128.7	81%	0.812	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-61.5	118.8	-172.3	-25.9	35.1	0	0	0	114.4	T283	P281-T283 PolarHBondContact O-N 2.89Å
282	G	38.1	Very low	38.5	Very low	74 Å²	74	127.3 Å²	127.3	76%	0.763	80%	0.801	S	S	*	*			trans	-77.8	112	176.7	0	0	0	0	0	112.9	P280	P280-G282 PolarHBondContact O-N 2.84Å
283	T	47.8	Very low	38.8	Very low	141 Å²	141	126 Å²	126	87%	0.865	80%	0.802	S	S	*	*			trans	-73.7	125.9	175.4	25.1	0	0	0	0	112.1	P281 P285	P281-T283 PolarHBondContact O-N 2.89Å; T283-P285 WeakPolarHBondContact O-CD 3.33Å
284	C	32.8	Very low	39	Very low	128 Å²	128	125.1 Å²	125.1	87%	0.865	80%	0.802	S	S	*	*			trans	-82.2	124.5	177.8	-65.7	0	0	0	0	112.5
285	P	44.2	Very low	38.8	Very low	122 Å²	122	121 Å²	121	79%	0.792	79%	0.791	S	S	*	*			trans	-98.9	105.2	163.3	33.9	-24.5	0	0	0	110.2	T283	T283-P285 WeakPolarHBondContact O-CD 3.33Å
286	A	37.6	Very low	38.9	Very low	97 Å²	97	120.1 Å²	120.1	80%	0.802	79%	0.791	S	S	*	*			trans	-83.7	113	170.5	0	0	0	0	0	110.5
287	T	44.4	Very low	38.9	Very low	141 Å²	141	125.8 Å²	125.8	87%	0.865	80%	0.803	S	S	*	*			trans	-163.4	152.7	154.5	-1.6	0	0	0	0	112.8
288	C	34.5	Very low	39	Very low	136 Å²	136	122 Å²	122	92%	0.919	79%	0.788	S	S	*	*			trans	-78	151.4	-179.4	-52.3	0	0	0	0	111.8
289	G	37	Very low	39.2	Very low	82 Å²	82	119.4 Å²	119.4	85%	0.845	79%	0.788	S	S	*	*			trans	-169.8	100.8	173.7	0	0	0	0	0	113.4
290	S	36.6	Very low	39.6	Very low	101 Å²	101	126 Å²	126	71%	0.706	80%	0.801	S	S	*	*			trans	-80.9	159.5	-173.4	50.2	0	0	0	0	115.5
291	N	36.7	Very low	39.4	Very low	140 Å²	140	123 Å²	123	75%	0.749	79%	0.793	S	S	*	*			trans	103.8	130	144.3	-70.1	-19.3	0	0	0	122.4
292	L	33.4	Very low	40	Very low	146 Å²	146	124.6 Å²	124.6	76%	0.764	79%	0.794	S	S	*	*			trans	71.7	112.2	146.8	-93	64.8	0	0	0	121.2
293	S	34.8	Very low	41	Very low	104 Å²	104	126.5 Å²	126.5	73%	0.727	79%	0.793	S	S	*	*				38.9	135.8	122.4	-47.1	0	0	0	0	119.8
294	T	39	Very low	40.8	Very low	136 Å²	136	122.7 Å²	122.7	83%	0.834	78%	0.782	S	S	*	*			cis	-158.1	158.7	49.6	-52	0	0	0	0	113
295	V	32	Very low	41.9	Very low	117 Å²	117	122.4 Å²	122.4	71%	0.709	78%	0.778	S	S	*	*			trans	-65.7	133.1	-174.8	178.5	0	0	0	0	114.6	Q297	V295-Q297 HydrophobicContact CG1-CB 4.25Å
296	I	39.2	Very low	42.4	Very low	175 Å²	175	122.2 Å²	122.2	90%	0.897	78%	0.777	S	S	*	*			trans	-133.4	121.6	137.4	-59.8	179.8	0	0	0	106.6
297	Q	37.1	Very low	42.7	Very low	174 Å²	174	121.3 Å²	121.3	81%	0.813	78%	0.778	S	S	*	*			trans	-109.8	123	-177.3	-173	172.3	9.9	0	0	110.6	V295	V295-Q297 HydrophobicContact CG1-CB 4.25Å
298	G	43.8	Very low	43	Very low	56 Å²	56	124.5 Å²	124.5	58%	0.577	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-71.6	164.8	172.2	0	0	0	0	0	112.7
299	P	48.7	Very low	43.6	Very low	136 Å²	136	122 Å²	122	88%	0.883	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-60.6	143.8	-179.4	26	-34.4	0	0	0	111.9	G301	P299-G301 PolarHBondContact O-N 3.43Å
300	K	47.2	Very low	44.5	Very low	193 Å²	193	122.1 Å²	122.1	84%	0.839	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-67.1	122.5	175.4	-179.2	-175.5	174.4	-173.9	0	109.3
301	G	42.6	Very low	45.4	Very low	60 Å²	60	123.6 Å²	123.6	62%	0.619	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-64.5	153.2	171.8	0	0	0	0	0	112.4	P299	P299-G301 PolarHBondContact O-N 3.43Å
302	D	52.9	Low	46.3	Very low	158 Å²	158	123.5 Å²	123.5	85%	0.845	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-62.6	149.9	-175.7	-65.8	-63.5	0	0	0	112.8	G304	D302-G304 PolarHBondContact O-N 3.28Å
303	P	59.8	Low	47.2	Very low	113 Å²	113	123.7 Å²	123.7	73%	0.734	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-59.9	130.2	175.3	-21.4	33.4	0	0	0	111.5
304	G	42.5	Very low	48	Very low	61 Å²	61	123.3 Å²	123.3	63%	0.629	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-60.8	153.2	171.1	0	0	0	0	0	111.9	D302	D302-G304 PolarHBondContact O-N 3.28Å
305	P	56.4	Low	48.2	Very low	122 Å²	122	124.7 Å²	124.7	79%	0.792	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-60.7	146.1	-179.1	25.8	-34.5	0	0	0	111.5	G307	P305-G307 PolarHBondContact O-N 3.43Å
306	P	53.9	Low	48.7	Very low	118 Å²	118	128.2 Å²	128.2	77%	0.766	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-57.3	136.4	178.3	-25.3	34.8	0	0	0	112.6
307	G	44	Very low	48.7	Very low	79 Å²	79	125 Å²	125	81%	0.814	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-67.3	132.8	176.2	0	0	0	0	0	111.9	P305	P305-G307 PolarHBondContact O-N 3.43Å
308	F	52	Low	48.8	Very low	207 Å²	207	121 Å²	121	91%	0.908	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-75.5	129.1	174.7	-76.1	-96.8	0	0	0	110.7
309	C	47.2	Very low	48.7	Very low	83 Å²	83	126.3 Å²	126.3	56%	0.561	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-82.6	145.9	172.1	-171.9	0	0	0	0	110.3
310	T	55.1	Low	48.7	Very low	86 Å²	86	125.2 Å²	125.2	53%	0.528	74%	0.744	S	S	.	*	P	Polyproline II helix	trans	-81.6	146.4	-179.8	49	0	0	0	0	112	D312 Q313	T310-D312 PolarHBondContact O-N 2.67Å; T310-Q313 PolarHBondContact O-N 3.03Å; T310-Q313 VanDerWaalsContact O-N 3.09Å
311	I	55.3	Low	49	Very low	132 Å²	132	119 Å²	119	68%	0.677	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-60.4	-23.4	-170.4	-74.9	172.9	0	0	0	113.5	Q313	I311-Q313 VanDerWaalsContact C-N 3.35Å
312	D	54.8	Low	49.7	Very low	138 Å²	138	122.7 Å²	122.7	74%	0.738	75%	0.748	S	S	*	*	G	3₁₀ helix	trans	-83.6	-5.8	-178.4	-54.2	-58.4	0	0	0	114.1	T310	T310-D312 PolarHBondContact O-N 2.67Å
313	Q	54	Low	49.6	Very low	149 Å²	149	124.3 Å²	124.3	70%	0.696	75%	0.751	S	S	*	*	G	3₁₀ helix	trans	-100.1	6.9	178.8	-66.6	-170.8	-20.1	0	0	114.4	T310 I311	T310-Q313 PolarHBondContact O-N 3.03Å; T310-Q313 VanDerWaalsContact O-N 3.09Å; I311-Q313 VanDerWaalsContact C-N 3.35Å
314	C	51.7	Low	49.4	Very low	97 Å²	97	121.4 Å²	121.4	66%	0.655	74%	0.742	S	S	*	*	S	Bend	trans	-133.4	33	-173.1	-73.9	0	0	0	0	114.3
315	K	41.9	Very low	50.1	Low	164 Å²	164	124.4 Å²	124.4	71%	0.713	75%	0.75	S	S	*	*			trans	-113.5	19.9	-174.2	-88.7	-178.5	178.4	169.9	0	116.5
316	E	41.8	Very low	50.1	Low	191 Å²	191	124.7 Å²	124.7	89%	0.893	75%	0.752	S	S	*	*	S	Bend	trans	-108.8	149.2	165.8	-64.7	-168.7	154.3	0	0	110.8
317	A	40.9	Very low	49.9	Very low	108 Å²	108	122.5 Å²	122.5	89%	0.893	75%	0.751	S	S	*	*	S	Bend	trans	77.5	51.6	176.8	0	0	0	0	0	119.5
318	A	39	Very low	50.7	Low	90 Å²	90	128.3 Å²	128.3	74%	0.744	76%	0.757	S	S	*	*			trans	-152.4	122.1	143	0	0	0	0	0	111.4
319	I	41.5	Very low	50.6	Low	168 Å²	168	127.8 Å²	127.8	86%	0.862	75%	0.754	S	S	*	*			trans	-121.1	98.7	174.6	-56.1	176.5	0	0	0	109.1
320	P	48.2	Very low	50.6	Low	112 Å²	112	126.9 Å²	126.9	73%	0.727	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-62.2	143.5	163	-19.8	33.5	0	0	0	110.5
321	G	53	Low	50.6	Low	64 Å²	64	132.3 Å²	132.3	66%	0.66	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-63.8	156.2	178.1	0	0	0	0	0	112.9	Q323	G321-Q323 PolarHBondContact O-N 2.79Å
322	P	58.8	Low	50.2	Low	136 Å²	136	134.5 Å²	134.5	88%	0.883	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-61.1	134.6	-177.6	25.7	-34.5	0	0	0	111.6
323	Q	50.7	Low	49.5	Very low	192 Å²	192	130.8 Å²	130.8	90%	0.897	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-64.3	137.9	173	-169.6	172.3	11.9	0	0	109.9	G321	G321-Q323 PolarHBondContact O-N 2.79Å
324	G	54.3	Low	49.1	Very low	52 Å²	52	131.1 Å²	131.1	54%	0.536	78%	0.784	S	S	.	*	P	Polyproline II helix	trans	-60.7	153.6	175.4	0	0	0	0	0	112
325	P	58.7	Low	48.7	Very low	125 Å²	125	131.5 Å²	131.5	81%	0.812	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-58.2	134.8	-178	24.7	-34.1	0	0	0	110.9	G327	P325-G327 PolarHBondContact O-N 3.26Å
326	P	54.8	Low	48.7	Very low	127 Å²	127	127 Å²	127	83%	0.825	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-55.9	137.5	171.5	-25	34.7	0	0	0	111
327	G	50.2	Low	49	Very low	72 Å²	72	127 Å²	127	74%	0.742	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-63.5	152	172.3	0	0	0	0	0	111.5	P325 K329	P325-G327 PolarHBondContact O-N 3.26Å; G327-K329 PolarHBondContact O-N 2.89Å
328	E	61.9	Low	49.7	Very low	202 Å²	202	127.4 Å²	127.4	94%	0.944	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-58.4	127.9	-179.2	-65.7	-176.3	143.1	0	0	111	G330	E328-G330 PolarHBondContact O-N 3.33Å
329	K	48.4	Very low	50.6	Low	196 Å²	196	126.8 Å²	126.8	85%	0.852	76%	0.76	S	S	*	*			trans	-76.3	113.1	179.4	-176.4	-179.5	-179.2	179.8	0	108.6	G327	G327-K329 PolarHBondContact O-N 2.89Å
330	G	46.8	Very low	51.8	Low	63 Å²	63	124.6 Å²	124.6	65%	0.649	75%	0.749	S	S	*	*			trans	-52.8	146.7	175.8	0	0	0	0	0	112.6	E328 K332	E328-G330 PolarHBondContact O-N 3.33Å; G330-K332 PolarHBondContact O-N 3.27Å
331	E	56.9	Low	52.9	Low	201 Å²	201	124.5 Å²	124.5	94%	0.939	75%	0.747	S	S	*	*			trans	-57.9	132	-174.7	-62.8	-178.1	139.8	0	0	111.2	G333	E331-G333 PolarHBondContact O-N 3.07Å
332	K	45.9	Very low	53.9	Low	177 Å²	177	123.3 Å²	123.3	77%	0.77	73%	0.728	S	S	*	*			trans	-81.6	113.4	176.9	-176.3	-165.9	173	-168.6	0	108	G330	G330-K332 PolarHBondContact O-N 3.27Å
333	G	40.3	Very low	55	Low	60 Å²	60	123.7 Å²	123.7	62%	0.619	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-55.8	145.2	172.8	0	0	0	0	0	112.5	E331	E331-G333 PolarHBondContact O-N 3.07Å
334	D	45.1	Very low	56.2	Low	157 Å²	157	122.1 Å²	122.1	84%	0.84	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-62.3	139.6	-173.1	-63	-64.7	0	0	0	112.6	G336	D334-G336 PolarHBondContact O-N 2.89Å
335	P	43.6	Very low	57.1	Low	105 Å²	105	121 Å²	121	68%	0.682	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-62.3	131	170.8	-19.4	32.4	0	0	0	111	E337	P335-E337 PolarHBondContact O-N 2.9Å
336	G	42	Very low	58	Low	68 Å²	68	117.6 Å²	117.6	70%	0.701	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-64.1	133.3	176.9	0	0	0	0	0	112.4	D334 V338	D334-G336 PolarHBondContact O-N 2.89Å; G336-V338 PolarHBondContact O-N 2.52Å
337	E	49	Very low	59.1	Low	193 Å²	193	114.6 Å²	114.6	90%	0.902	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-71.9	117.4	177.5	-172.4	168.8	-154.8	0	0	110.5	P335	P335-E337 PolarHBondContact O-N 2.9Å
338	V	53.8	Low	60.5	Low	115 Å²	115	115.9 Å²	115.9	70%	0.697	65%	0.649	S	S	*	*			trans	-94	99.5	178.4	179.3	0	0	0	0	109.3	G336 L340	G336-V338 PolarHBondContact O-N 2.52Å; V338-L340 PolarHBondContact O-N 2.76Å; V338-L340 VanDerWaalsContact O-N 3.12Å
339	D	59.5	Low	61.3	Low	77 Å²	77	110 Å²	110	41%	0.412	62%	0.623	S	S	.	*			trans	-71	103.8	175	176.8	24.9	0	0	0	111.6	T341 S342 S345	D339-T341 PolarHBondContact O-N 3Å; D339-T341 WeakPolarHBondContact OD1-CA 3.5Å; D339-T341 WeakPolarHBondContact OD1-CB 3.41Å; D339-T341 PolarHBondContact OD1-N 2.81Å; D339-T341 PolarHBondContact OD1-OG1 3.36Å; D339-T341 PolarHBondContact OD2-OG1 2.82Å; D339-S342 PolarHBondContact O-OG 2.84Å; D339-S342 WeakPolarHBondContact OD2-CB 2.97Å; D339-S342 PolarHBondContact OD2-N 3.41Å; D339-S342 VanDerWaalsContact OD2-N 3.09Å; D339-S345 WeakPolarHBondContact O-CB 3.46Å; D339-S345 PolarHBondContact O-OG 3.49Å
340	L	66.9	Low	62.8	Low	122 Å²	122	107.4 Å²	107.4	64%	0.639	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	-13.9	173.7	-66	175	0	0	0	113.3	V338	V338-L340 PolarHBondContact O-N 2.76Å; V338-L340 VanDerWaalsContact O-N 3.12Å
341	T	69.7	Low	64.5	Low	111 Å²	111	109.4 Å²	109.4	68%	0.681	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-12.6	178.8	74.8	0	0	0	0	113.7	D339 I346	D339-T341 PolarHBondContact O-N 3Å; D339-T341 WeakPolarHBondContact OD1-CA 3.5Å; D339-T341 WeakPolarHBondContact OD1-CB 3.41Å; D339-T341 PolarHBondContact OD1-N 2.81Å; D339-T341 PolarHBondContact OD1-OG1 3.36Å; D339-T341 PolarHBondContact OD2-OG1 2.82Å; T341-I346 VanDerWaalsContact O-CD1 3.27Å; T341-I346 WeakPolarHBondContact O-CD1 3.26Å
342	S	75.2	Confident	65.6	Low	38 Å²	38	102.7 Å²	102.7	27%	0.266	58%	0.583	S	S	.	*	S	Bend	trans	-62.2	143.8	176.7	72.9	0	0	0	0	112.3	D339 Q344 S345 I346	D339-S342 PolarHBondContact O-OG 2.84Å; D339-S342 WeakPolarHBondContact OD2-CB 2.97Å; D339-S342 PolarHBondContact OD2-N 3.41Å; D339-S342 VanDerWaalsContact OD2-N 3.09Å; S342-Q344 PolarHBondContact O-N 2.88Å; S342-Q344 VanDerWaalsContact O-N 3.07Å; S342-S345 PolarHBondContact O-N 2.8Å; S342-S345 VanDerWaalsContact O-N 3.1Å; S342-S345 WeakPolarHBondContact OG-CB 3.31Å; S342-S345 PolarHBondContact OG-N 2.86Å; S342-S345 PolarHBondContact OG-OG 2.85Å; S342-S345 VanDerWaalsContact OG-OG 3.09Å; S342-I346 WeakPolarHBondContact O-CG1 3.41Å; S342-I346 PolarHBondContact O-N 3.3Å
343	D	80.4	Confident	67.1	Low	144 Å²	144	98.6 Å²	98.6	77%	0.77	57%	0.569	S	S	*	*	H	α-helix	trans	-53.3	-32	175.2	-77.3	-51	0	0	0	112.4	S347	D343-S347 VanDerWaalsContact O-CB 3.31Å; D343-S347 WeakPolarHBondContact O-CB 3.16Å; D343-S347 PolarHBondContact O-N 3.22Å
344	Q	77.3	Confident	69	Low	159 Å²	159	100.5 Å²	100.5	74%	0.743	56%	0.561	S	S	*	*	H	α-helix	trans	-69.7	-48.5	179.2	-157.5	167.1	16.1	0	0	111.2	S342 I346 S347 V348	S342-Q344 PolarHBondContact O-N 2.88Å; S342-Q344 VanDerWaalsContact O-N 3.07Å; Q344-I346 PolarHBondContact O-N 3.44Å; Q344-S347 PolarHBondContact O-N 2.8Å; Q344-S347 PolarHBondContact O-OG 2.82Å; Q344-V348 PolarHBondContact O-N 3.42Å
345	S	72.5	Confident	70.7	Confident	28 Å²	28	96.6 Å²	96.6	20%	0.196	54%	0.541	C	S	.	.	H	α-helix	trans	-57.7	-47	171.5	-66.2	0	0	0	0	111.7	D339 S342 S347 V348 I349	D339-S345 WeakPolarHBondContact O-CB 3.46Å; D339-S345 PolarHBondContact O-OG 3.49Å; S342-S345 PolarHBondContact O-N 2.8Å; S342-S345 VanDerWaalsContact O-N 3.1Å; S342-S345 WeakPolarHBondContact OG-CB 3.31Å; S342-S345 PolarHBondContact OG-N 2.86Å; S342-S345 PolarHBondContact OG-OG 2.85Å; S342-S345 VanDerWaalsContact OG-OG 3.09Å; S345-S347 VanDerWaalsContact C-N 3.3Å; S345-S347 PolarHBondContact O-N 2.84Å; S345-V348 PolarHBondContact O-N 3.47Å; S345-I349 WeakPolarHBondContact O-CG1 3.47Å; S345-I349 PolarHBondContact O-N 3.25Å
346	I	76.9	Confident	72.3	Confident	55 Å²	55	97 Å²	97	28%	0.282	53%	0.532	S	S	.	.	H	α-helix	trans	-61.9	-36.6	178.6	-67.6	171.7	0	0	0	111.5	T341 S342 Q344 K350	T341-I346 VanDerWaalsContact O-CD1 3.27Å; T341-I346 WeakPolarHBondContact O-CD1 3.26Å; S342-I346 WeakPolarHBondContact O-CG1 3.41Å; S342-I346 PolarHBondContact O-N 3.3Å; Q344-I346 PolarHBondContact O-N 3.44Å; I346-K350 HydrophobicContact CG2-CD 3.92Å; I346-K350 VanDerWaalsContact CG2-CE 3.49Å; I346-K350 HydrophobicContact CG2-CG 4.43Å; I346-K350 WeakPolarHBondContact O-CB 3.48Å; I346-K350 VanDerWaalsContact O-CG 3.3Å; I346-K350 WeakPolarHBondContact O-CG 3.34Å; I346-K350 PolarHBondContact O-N 3.01Å
347	S	79.9	Confident	73.9	Confident	64 Å²	64	97.6 Å²	97.6	45%	0.448	52%	0.518	S	S	.	.	H	α-helix	trans	-65.7	-42	177.3	75.7	0	0	0	0	112.6	D343 Q344 S345 K350 Q351	D343-S347 VanDerWaalsContact O-CB 3.31Å; D343-S347 WeakPolarHBondContact O-CB 3.16Å; D343-S347 PolarHBondContact O-N 3.22Å; Q344-S347 PolarHBondContact O-N 2.8Å; Q344-S347 PolarHBondContact O-OG 2.82Å; S345-S347 VanDerWaalsContact C-N 3.3Å; S345-S347 PolarHBondContact O-N 2.84Å; S347-K350 PolarHBondContact O-N 2.84Å; S347-Q351 WeakPolarHBondContact O-CB 3.43Å; S347-Q351 PolarHBondContact O-N 3.5Å
348	V	79.6	Confident	75.3	Confident	98 Å²	98	93.1 Å²	93.1	59%	0.594	50%	0.5	S	S	*	.	H	α-helix	trans	-67	-42.4	177.5	175.7	0	0	0	0	110.8	Q344 S345 Q351 A352	Q344-V348 PolarHBondContact O-N 3.42Å; S345-V348 PolarHBondContact O-N 3.47Å; V348-Q351 PolarHBondContact O-N 3.32Å; V348-A352 WeakPolarHBondContact O-CB 3.47Å; V348-A352 PolarHBondContact O-N 3.46Å
349	I	77.1	Confident	76.5	Confident	80 Å²	80	91.7 Å²	91.7	41%	0.41	49%	0.485	S	S	.	.	H	α-helix	trans	-62.7	-44.8	176.4	-67.3	165	0	0	0	110.8	S345 Q351 A352 I353	S345-I349 WeakPolarHBondContact O-CG1 3.47Å; S345-I349 PolarHBondContact O-N 3.25Å; I349-Q351 PolarHBondContact O-N 2.91Å; I349-A352 PolarHBondContact O-N 2.94Å; I349-I353 HydrophobicContact CG2-CD1 3.81Å; I349-I353 WeakPolarHBondContact O-CG1 3.5Å; I349-I353 PolarHBondContact O-N 3.41Å
350	K	80.8	Confident	77.1	Confident	140 Å²	140	91.7 Å²	91.7	61%	0.609	49%	0.49	S	S	*	.	H	α-helix	trans	-61.6	-41.5	176.1	-77.4	171.8	179.6	169.1	0	112.4	I346 S347 I353 H354	I346-K350 HydrophobicContact CG2-CD 3.92Å; I346-K350 VanDerWaalsContact CG2-CE 3.49Å; I346-K350 HydrophobicContact CG2-CG 4.43Å; I346-K350 WeakPolarHBondContact O-CB 3.48Å; I346-K350 VanDerWaalsContact O-CG 3.3Å; I346-K350 WeakPolarHBondContact O-CG 3.34Å; I346-K350 PolarHBondContact O-N 3.01Å; S347-K350 PolarHBondContact O-N 2.84Å; K350-I353 PolarHBondContact O-N 2.95Å; K350-H354 WeakPolarHBondContact O-CB 3.35Å; K350-H354 PolarHBondContact O-N 3.4Å
351	Q	82.6	Confident	77.4	Confident	105 Å²	105	91.1 Å²	91.1	49%	0.491	48%	0.484	S	S	.	.	H	α-helix	trans	-63.3	-46.6	176.6	-170.4	63.2	47	0	0	111.2	S347 V348 I349 I353 H354 D355	S347-Q351 WeakPolarHBondContact O-CB 3.43Å; S347-Q351 PolarHBondContact O-N 3.5Å; V348-Q351 PolarHBondContact O-N 3.32Å; I349-Q351 PolarHBondContact O-N 2.91Å; Q351-I353 PolarHBondContact O-N 2.85Å; Q351-H354 PolarHBondContact O-N 3.01Å; Q351-D355 VanDerWaalsContact NE2-CG 3.25Å; Q351-D355 PolarHBondContact NE2-OD1 3.01Å; Q351-D355 PolarHBondContact NE2-OD2 2.83Å; Q351-D355 WeakPolarHBondContact O-CB 3.45Å; Q351-D355 PolarHBondContact O-N 2.82Å
352	A	78.9	Confident	77.4	Confident	60 Å²	60	86.8 Å²	86.8	50%	0.496	46%	0.456	S	S	.	.	H	α-helix	trans	-61.2	-40.6	177.9	0	0	0	0	0	113	V348 I349 F356	V348-A352 WeakPolarHBondContact O-CB 3.47Å; V348-A352 PolarHBondContact O-N 3.46Å; I349-A352 PolarHBondContact O-N 2.94Å; A352-F356 WeakPolarHBondContact O-CB 3.34Å; A352-F356 PolarHBondContact O-N 2.83Å
353	I	78.7	Confident	77.2	Confident	92 Å²	92	89.6 Å²	89.6	47%	0.472	47%	0.465	S	S	.	.	H	α-helix	trans	-65.2	-44.1	175.5	-68.8	166	0	0	0	111.1	I349 K350 Q351 F356 I357	I349-I353 HydrophobicContact CG2-CD1 3.81Å; I349-I353 WeakPolarHBondContact O-CG1 3.5Å; I349-I353 PolarHBondContact O-N 3.41Å; K350-I353 PolarHBondContact O-N 2.95Å; Q351-I353 PolarHBondContact O-N 2.85Å; I353-F356 PolarHBondContact O-N 3.25Å; I353-I357 HydrophobicContact CG2-CD1 3.81Å; I353-I357 WeakPolarHBondContact O-CG1 3.33Å; I353-I357 PolarHBondContact O-N 3.05Å
354	H	80.2	Confident	76.7	Confident	99 Å²	99	89.7 Å²	89.7	46%	0.458	46%	0.459	S	S	.	.	H	α-helix	trans	-61.2	-46.9	177.8	174.9	-90.7	0	0	0	111.8	K350 Q351 F356 I357 L358	K350-H354 WeakPolarHBondContact O-CB 3.35Å; K350-H354 PolarHBondContact O-N 3.4Å; Q351-H354 PolarHBondContact O-N 3.01Å; H354-F356 VanDerWaalsContact C-N 3.3Å; H354-F356 PolarHBondContact O-N 3.32Å; H354-I357 PolarHBondContact O-N 3.37Å; H354-L358 WeakPolarHBondContact CE1-CD1 3.39Å; H354-L358 WeakPolarHBondContact O-CG 3.5Å; H354-L358 PolarHBondContact O-N 3.24Å; H354-L358 VanDerWaalsContact O-N 3.08Å
355	D	80.7	Confident	75.8	Confident	76 Å²	76	87.6 Å²	87.6	41%	0.406	45%	0.449	S	S	.	.	H	α-helix	trans	-72.5	-24.6	-177.6	-62.1	-15.5	0	0	0	112.2	Q351	Q351-D355 VanDerWaalsContact NE2-CG 3.25Å; Q351-D355 PolarHBondContact NE2-OD1 3.01Å; Q351-D355 PolarHBondContact NE2-OD2 2.83Å; Q351-D355 WeakPolarHBondContact O-CB 3.45Å; Q351-D355 PolarHBondContact O-N 2.82Å
356	F	75.9	Confident	75	Confident	113 Å²	113	93.6 Å²	93.6	50%	0.496	47%	0.472	S	S	.	.	H	α-helix	trans	-69.9	-47.1	167.5	-178.1	-104.6	0	0	0	112.3	A352 I353 H354 L358 Q359 I362	A352-F356 WeakPolarHBondContact O-CB 3.34Å; A352-F356 PolarHBondContact O-N 2.83Å; I353-F356 PolarHBondContact O-N 3.25Å; H354-F356 VanDerWaalsContact C-N 3.3Å; H354-F356 PolarHBondContact O-N 3.32Å; F356-L358 PolarHBondContact O-N 3.26Å; F356-Q359 WeakPolarHBondContact O-CB 3.32Å; F356-Q359 WeakPolarHBondContact O-CG 3Å; F356-Q359 PolarHBondContact O-N 2.88Å; F356-Q359 VanDerWaalsContact O-N 3.11Å; F356-I362 HydrophobicContact CE1-CD1 4.06Å; F356-I362 HydrophobicContact CE1-CG1 4.36Å; F356-I362 HydrophobicContact CE2-CD1 4.2Å; F356-I362 HydrophobicContact CE2-CG1 4.41Å; F356-I362 HydrophobicContact CZ-CD1 3.67Å; F356-I362 HydrophobicContact CZ-CG1 4.19Å
357	I	76.4	Confident	73.5	Confident	80 Å²	80	101.3 Å²	101.3	41%	0.41	50%	0.498	S	S	.	.	H	α-helix	trans	-62.9	-30	179.3	-69.8	167	0	0	0	111.9	I353 H354 Q359 Q363	I353-I357 HydrophobicContact CG2-CD1 3.81Å; I353-I357 WeakPolarHBondContact O-CG1 3.33Å; I353-I357 PolarHBondContact O-N 3.05Å; H354-I357 PolarHBondContact O-N 3.37Å; I357-Q359 VanDerWaalsContact C-N 3.29Å; I357-Q359 PolarHBondContact O-N 3.41Å; I357-Q363 PolarHBondContact O-NE2 3.22Å
358	L	79.3	Confident	71.8	Confident	99 Å²	99	100.9 Å²	100.9	52%	0.518	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-5.4	176.9	-72.5	-177.5	0	0	0	115	H354 F356	H354-L358 WeakPolarHBondContact CE1-CD1 3.39Å; H354-L358 WeakPolarHBondContact O-CG 3.5Å; H354-L358 PolarHBondContact O-N 3.24Å; H354-L358 VanDerWaalsContact O-N 3.08Å; F356-L358 PolarHBondContact O-N 3.26Å
359	Q	79	Confident	70.6	Confident	85 Å²	85	102.6 Å²	102.6	40%	0.397	52%	0.516	S	S	.	.	S	Bend	trans	-63.3	131.7	178.9	-66.4	-178.3	12.9	0	0	111	F356 I357 E361 I362 Q363	F356-Q359 WeakPolarHBondContact O-CB 3.32Å; F356-Q359 WeakPolarHBondContact O-CG 3Å; F356-Q359 PolarHBondContact O-N 2.88Å; F356-Q359 VanDerWaalsContact O-N 3.11Å; I357-Q359 VanDerWaalsContact C-N 3.29Å; I357-Q359 PolarHBondContact O-N 3.41Å; Q359-E361 PolarHBondContact O-N 3.38Å; Q359-I362 HydrophobicContact CB-CB 4.35Å; Q359-I362 HydrophobicContact CB-CG1 3.96Å; Q359-I362 PolarHBondContact O-N 2.87Å; Q359-Q363 PolarHBondContact O-N 3.33Å
360	P	70.6	Confident	69.3	Low	78 Å²	78	108.2 Å²	108.2	51%	0.506	54%	0.538	S	S	.	.	H	α-helix	trans	-56.8	-24.1	-177.3	-27.4	35	0	0	0	115	K364	P360-K364 VanDerWaalsContact O-CD 3.32Å; P360-K364 WeakPolarHBondContact O-CD 3.37Å; P360-K364 VanDerWaalsContact O-CG 3.25Å; P360-K364 WeakPolarHBondContact O-CG 3.18Å; P360-K364 PolarHBondContact O-N 3.14Å
361	E	73.6	Confident	67.3	Low	109 Å²	109	104.5 Å²	104.5	51%	0.509	54%	0.539	S	S	.	.	H	α-helix	trans	-72.8	-48.9	177.9	-68.2	54.1	-119.1	0	0	110.1	Q359 K364 Q365	Q359-E361 PolarHBondContact O-N 3.38Å; E361-K364 WeakPolarHBondContact O-CB 3.49Å; E361-K364 PolarHBondContact O-N 3.48Å; E361-K364 IonicContact OE1-NZ 3.26Å; E361-Q365 PolarHBondContact O-N 3.15Å
362	I	70.2	Confident	65.8	Low	21 Å²	21	107 Å²	107	11%	0.108	56%	0.555	C	S	.	*	H	α-helix	trans	-64.9	-42.7	177.1	-57.9	-60.3	0	0	0	110.6	F356 Q359 K364 Q365 F366	F356-I362 HydrophobicContact CE1-CD1 4.06Å; F356-I362 HydrophobicContact CE1-CG1 4.36Å; F356-I362 HydrophobicContact CE2-CD1 4.2Å; F356-I362 HydrophobicContact CE2-CG1 4.41Å; F356-I362 HydrophobicContact CZ-CD1 3.67Å; F356-I362 HydrophobicContact CZ-CG1 4.19Å; Q359-I362 HydrophobicContact CB-CB 4.35Å; Q359-I362 HydrophobicContact CB-CG1 3.96Å; Q359-I362 PolarHBondContact O-N 2.87Å; I362-K364 PolarHBondContact O-N 2.82Å; I362-Q365 PolarHBondContact O-N 3.43Å; I362-Q365 VanDerWaalsContact O-N 3.11Å; I362-F366 HydrophobicContact CG2-CD2 3.74Å; I362-F366 HydrophobicContact CG2-CE2 3.47Å; I362-F366 VanDerWaalsContact CG2-CE2 3.47Å; I362-F366 WeakPolarHBondContact O-CD2 3.23Å; I362-F366 PolarHBondContact O-N 3.37Å
363	Q	70.6	Confident	64.4	Low	96 Å²	96	109.8 Å²	109.8	45%	0.449	57%	0.569	S	S	.	*	H	α-helix	trans	-61.3	-24.7	174.8	-72.3	-68.6	-44.5	0	0	113.9	I357 Q359	I357-Q363 PolarHBondContact O-NE2 3.22Å; Q359-Q363 PolarHBondContact O-N 3.33Å
364	K	70	Confident	62.6	Low	147 Å²	147	108.7 Å²	108.7	64%	0.639	58%	0.58	S	S	*	*	H	α-helix	trans	-78.9	-35.6	173.6	-73.1	160.8	-169.3	158.3	0	112.2	P360 E361 I362	P360-K364 VanDerWaalsContact O-CD 3.32Å; P360-K364 WeakPolarHBondContact O-CD 3.37Å; P360-K364 VanDerWaalsContact O-CG 3.25Å; P360-K364 WeakPolarHBondContact O-CG 3.18Å; P360-K364 PolarHBondContact O-N 3.14Å; E361-K364 WeakPolarHBondContact O-CB 3.49Å; E361-K364 PolarHBondContact O-N 3.48Å; E361-K364 IonicContact OE1-NZ 3.26Å; I362-K364 PolarHBondContact O-N 2.82Å
365	Q	57.9	Low	61.1	Low	114 Å²	114	113.2 Å²	113.2	53%	0.533	60%	0.602	S	S	.	*	H	α-helix	trans	-68.3	-41.1	178.7	-75.1	-179.2	-62.8	0	0	112.5	E361 I362 R367	E361-Q365 PolarHBondContact O-N 3.15Å; I362-Q365 PolarHBondContact O-N 3.43Å; I362-Q365 VanDerWaalsContact O-N 3.11Å; Q365-R367 PolarHBondContact O-N 3.42Å
366	F	55.8	Low	59.1	Low	155 Å²	155	115.1 Å²	115.1	68%	0.68	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-3.1	-178.1	-71.4	-59.5	0	0	0	115.3	I362 G368	I362-F366 HydrophobicContact CG2-CD2 3.74Å; I362-F366 HydrophobicContact CG2-CE2 3.47Å; I362-F366 VanDerWaalsContact CG2-CE2 3.47Å; I362-F366 WeakPolarHBondContact O-CD2 3.23Å; I362-F366 PolarHBondContact O-N 3.37Å; F366-G368 PolarHBondContact O-N 2.67Å; F366-G368 VanDerWaalsContact O-N 3.11Å
367	R	46.2	Very low	57.7	Low	217 Å²	217	115 Å²	115	82%	0.819	63%	0.633	S	S	*	*			trans	-84.3	85.3	176.5	-171.8	177.3	-72.9	-158.5	-2.8	111	Q365	Q365-R367 PolarHBondContact O-N 3.42Å
368	G	43.7	Very low	56	Low	55 Å²	55	116.7 Å²	116.7	57%	0.567	65%	0.65	S	S	*	*			trans	-56.2	160.8	172.6	0	0	0	0	0	113.8	F366	F366-G368 PolarHBondContact O-N 2.67Å; F366-G368 VanDerWaalsContact O-N 3.11Å
369	P	53.8	Low	54.4	Low	134 Å²	134	120.5 Å²	120.5	87%	0.87	67%	0.67	S	S	*	*			trans	-60.3	142.2	-179	26.2	-34.6	0	0	0	111.4	G371	P369-G371 PolarHBondContact O-N 3.24Å
370	K	50.3	Low	52.8	Low	198 Å²	198	121 Å²	121	86%	0.861	68%	0.684	S	S	*	*			trans	-68.5	112.9	177.1	-176.4	-174	176.7	-171.5	0	109.1
371	G	38.2	Very low	51.5	Low	61 Å²	61	125 Å²	125	63%	0.629	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-62.5	154.4	174.8	0	0	0	0	0	113	P369	P369-G371 PolarHBondContact O-N 3.24Å
372	D	52.3	Low	50	Low	157 Å²	157	124.3 Å²	124.3	84%	0.84	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-65.2	150.6	-179.4	-66.8	-58.3	0	0	0	112.5	G374	D372-G374 PolarHBondContact O-N 3.35Å
373	P	49	Very low	48.7	Very low	120 Å²	120	127.8 Å²	127.8	78%	0.779	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-68.1	116.5	177.4	-15.9	30.8	0	0	0	111.4
374	G	41.6	Very low	47.4	Very low	69 Å²	69	129.6 Å²	129.6	71%	0.711	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-75.2	126	174	0	0	0	0	0	112.5	D372 C376	D372-G374 PolarHBondContact O-N 3.35Å; G374-C376 PolarHBondContact O-N 3.22Å
375	E	47	Very low	46.1	Very low	194 Å²	194	129.3 Å²	129.3	91%	0.907	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-68.9	125.1	170.4	-69.2	-169.7	120.3	0	0	111
376	C	39.3	Very low	45.3	Very low	115 Å²	115	128.7 Å²	128.7	78%	0.777	77%	0.769	S	S	*	*			trans	-102.6	87.5	177.5	-70.5	0	0	0	0	111.3	G374 C378	G374-C376 PolarHBondContact O-N 3.22Å; C376-C378 VanDerWaalsContact C-N 3.31Å; C376-C378 PolarHBondContact O-N 2.89Å
377	S	47.1	Very low	44.5	Very low	111 Å²	111	126.7 Å²	126.7	78%	0.776	78%	0.775	S	S	*	*			trans	-76.8	76.2	172.8	42.7	0	0	0	0	111.8	L379	S377-L379 PolarHBondContact O-N 2.92Å
378	C	40.7	Very low	44.3	Very low	116 Å²	116	121.5 Å²	121.5	78%	0.784	77%	0.769	S	S	*	*			trans	-71.8	97.8	178.9	-59	0	0	0	0	111.3	C376	C376-C378 VanDerWaalsContact C-N 3.31Å; C376-C378 PolarHBondContact O-N 2.89Å
379	L	45.9	Very low	44	Very low	178 Å²	178	128.2 Å²	128.2	93%	0.932	78%	0.783	S	S	*	*			trans	-78.6	118	168.2	-74.9	172.4	0	0	0	110.1	S377	S377-L379 PolarHBondContact O-N 2.92Å
380	S	45	Very low	43.3	Very low	97 Å²	97	129.3 Å²	129.3	68%	0.678	77%	0.774	S	S	*	*			trans	-91.1	127.4	-177.9	55.3	0	0	0	0	113
381	D	42.8	Very low	42.7	Very low	160 Å²	160	125.5 Å²	125.5	86%	0.856	76%	0.763	S	S	*	*			trans	71.6	156.9	147.7	-54	-37.3	0	0	0	121.6
382	A	42.9	Very low	42.9	Very low	95 Å²	95	127.3 Å²	127.3	79%	0.785	77%	0.766	S	S	*	*			trans	74.5	76.2	158.7	0	0	0	0	0	121
383	A	43.1	Very low	42.2	Very low	94 Å²	94	126.6 Å²	126.6	78%	0.777	76%	0.762	S	S	*	*				71.2	154.7	117.6	0	0	0	0	0	123.7
384	D	43.4	Very low	41.8	Very low	135 Å²	135	127.1 Å²	127.1	72%	0.722	76%	0.758	S	S	*	*			trans	67.7	93.3	156.2	-77.7	-54.8	0	0	0	123
385	N	42.9	Very low	41.7	Very low	141 Å²	141	131.5 Å²	131.5	75%	0.754	76%	0.76	S	S	*	*				73.5	156.2	117.1	-84.3	-53.4	0	0	0	120.4
386	P	40.6	Very low	41.2	Very low	101 Å²	101	128.2 Å²	128.2	66%	0.656	75%	0.748	S	S	*	*				-132.7	157.7	-121.6	43.2	-28.7	0	0	0	118.7
387	S	39	Very low	41.2	Very low	113 Å²	113	129.4 Å²	129.4	79%	0.79	75%	0.747	S	S	*	*			trans	70.7	176.5	152	-49.2	0	0	0	0	117.1
388	P	40.9	Very low	40.5	Very low	108 Å²	108	127.7 Å²	127.7	70%	0.701	74%	0.735	S	S	*	*				-135.1	163	-77.8	39.7	-25	0	0	0	114.3
389	K	38.5	Very low	40.2	Very low	195 Å²	195	132.6 Å²	132.6	85%	0.848	74%	0.743	S	S	*	*			trans	176.9	136.8	141.1	-99.7	149.9	-169.7	170.1	0	116.3
390	K	38.1	Very low	39.8	Very low	158 Å²	158	131.7 Å²	131.7	69%	0.687	73%	0.732	S	S	*	*			trans	68.6	119.7	133.6	-75.9	-172.2	147.5	-67.9	0	123.7
391	D	39	Very low	39.4	Very low	117 Å²	117	134.1 Å²	134.1	63%	0.626	74%	0.737	S	S	*	*				85.2	136.2	120.7	-58.7	-4.5	0	0	0	122.8
392	S	42	Very low	39	Very low	99 Å²	99	132 Å²	132	69%	0.692	73%	0.726	S	S	*	*			trans	95.5	99	143.4	67.1	0	0	0	0	121.3
393	N	38	Very low	38.7	Very low	142 Å²	142	136.8 Å²	136.8	76%	0.759	73%	0.732	S	S	*	*				54.9	119.7	119.4	-47.2	-11.3	0	0	0	120.3
394	N	39.4	Very low	38.1	Very low	132 Å²	132	137.9 Å²	137.9	71%	0.706	72%	0.724	S	S	*	*				-168.4	141	94.4	-94.3	-5.9	0	0	0	112.3
395	E	39.8	Very low	37.6	Very low	161 Å²	161	138.5 Å²	138.5	75%	0.752	73%	0.733	S	S	*	*				42.6	151.8	126.3	-49.9	-170.8	117.8	0	0	120.7
396	L	37.7	Very low	37	Very low	125 Å²	125	140.8 Å²	140.8	65%	0.654	74%	0.737	S	S	*	*			cis	-160.2	139.5	31.8	-175.2	59.2	0	0	0	114.1
397	N	38.2	Very low	36.4	Very low	139 Å²	139	141.1 Å²	141.1	74%	0.743	74%	0.741	S	S	*	*			trans	61	160	159.2	-72.2	-19.2	0	0	0	121.4
398	S	32.9	Very low	36.1	Very low	76 Å²	76	142.4 Å²	142.4	53%	0.531	74%	0.739	S	S	.	*			cis	158.6	114.9	-39.8	163	0	0	0	0	109.8
399	F	34.7	Very low	35.5	Very low	218 Å²	218	144.8 Å²	144.8	96%	0.956	75%	0.746	S	S	*	*			trans	-140.8	137.1	143.6	-105.2	-82.2	0	0	0	109.4
400	K	36.1	Very low	35.1	Very low	159 Å²	159	143 Å²	143	69%	0.691	75%	0.746	S	S	*	*			trans	-115.3	146.8	-174.5	-66.3	174.3	179.3	171.1	0	110
401	N	36.4	Very low	34.6	Very low	148 Å²	148	139 Å²	139	79%	0.791	75%	0.75	S	S	*	*				-173.2	102.4	113.2	-89.6	-24.5	0	0	0	112.8
402	N	35	Very low	34.1	Very low	116 Å²	116	140.7 Å²	140.7	62%	0.62	75%	0.754	S	S	*	*				35.6	116.6	115.8	-77.8	-19.3	0	0	0	119.6
403	H	36.6	Very low	33.5	Very low	196 Å²	196	143.7 Å²	143.7	91%	0.907	76%	0.761	S	S	*	*				-143	137.5	110.6	-116.9	-85.5	0	0	0	110.3
404	N	30.8	Very low	33.4	Very low	116 Å²	116	142.4 Å²	142.4	62%	0.62	75%	0.753	S	S	*	*			trans	-99.5	137.6	-178.3	-78.6	-86.1	0	0	0	111.4
405	T	32.8	Very low	33.1	Very low	149 Å²	149	139 Å²	139	91%	0.914	75%	0.75	S	S	*	*			trans	-135.4	140.5	141.1	33.1	0	0	0	0	108.5
406	K	30.5	Very low	33.4	Very low	189 Å²	189	137.5 Å²	137.5	82%	0.822	74%	0.738	S	S	*	*			trans	-124.2	149.2	-174.5	-97.3	-172.8	174.1	-176.8	0	110
407	S	28.8	Very low	34.3	Very low	107 Å²	107	134.4 Å²	134.4	75%	0.748	74%	0.736	S	S	*	*			trans	69.5	141.7	163.6	-124	0	0	0	0	114.7
408	N	31.5	Very low	35.9	Very low	141 Å²	141	129.9 Å²	129.9	75%	0.754	72%	0.718	S	S	*	*			cis	-133.1	158.1	24.9	-74.4	-47.9	0	0	0	113.7	N410	N408-N410 PolarHBondContact O-N 2.91Å
409	N	28.9	Very low	38.1	Very low	157 Å²	157	128.7 Å²	128.7	84%	0.84	71%	0.705	S	S	*	*			trans	-65.3	127.5	166.8	-61.2	-14.7	0	0	0	110.7
410	N	30.5	Very low	40.4	Very low	157 Å²	157	122 Å²	122	84%	0.84	68%	0.682	S	S	*	*			trans	-146.2	140.5	151.2	-89.7	-40.8	0	0	0	106.5	N408 E412	N408-N410 PolarHBondContact O-N 2.91Å; N410-E412 PolarHBondContact O-N 3.41Å
411	G	26.5	Very low	42.6	Very low	76 Å²	76	116.2 Å²	116.2	78%	0.784	66%	0.658	S	S	*	*			trans	-60.5	118.7	-161.8	0	0	0	0	0	114.5	I413	G411-I413 PolarHBondContact O-N 3Å
412	E	29	Very low	44.7	Very low	152 Å²	152	113.5 Å²	113.5	71%	0.71	64%	0.643	S	S	*	*			trans	-77.5	111.5	172.6	-169.4	171.6	-152.8	0	0	109.7	N410 L414	N410-E412 PolarHBondContact O-N 3.41Å; E412-L414 VanDerWaalsContact C-N 3.29Å; E412-L414 HydrophobicContact CG-CD1 4.44Å; E412-L414 HydrophobicContact CG-CG 4.23Å; E412-L414 PolarHBondContact O-N 3.24Å
413	I	29.6	Very low	47.3	Very low	162 Å²	162	109.8 Å²	109.8	83%	0.831	63%	0.625	S	S	*	*			trans	-81	78.8	-177.4	-53.5	178.5	0	0	0	109.2	G411 G415	G411-I413 PolarHBondContact O-N 3Å; I413-G415 PolarHBondContact O-N 3.02Å
414	L	35.1	Very low	49.9	Very low	114 Å²	114	104.6 Å²	104.6	60%	0.597	60%	0.601	S	S	*	*			trans	-73.8	35.7	167.5	-75.3	159.8	0	0	0	112	E412 Y416	E412-L414 VanDerWaalsContact C-N 3.29Å; E412-L414 HydrophobicContact CG-CD1 4.44Å; E412-L414 HydrophobicContact CG-CG 4.23Å; E412-L414 PolarHBondContact O-N 3.24Å; L414-Y416 WeakPolarHBondContact O-CD2 3.45Å; L414-Y416 PolarHBondContact O-N 3.41Å
415	G	32.8	Very low	52.6	Low	62 Å²	62	105 Å²	105	64%	0.639	60%	0.601	S	S	*	*			trans	-78.8	86	-177.3	0	0	0	0	0	111.7	I413	I413-G415 PolarHBondContact O-N 3.02Å
416	Y	46.6	Very low	55	Low	129 Å²	129	99.9 Å²	99.9	51%	0.506	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-60.8	140.4	159	-64	-89	0	0	0	109.2	L414 M419 P435	L414-Y416 WeakPolarHBondContact O-CD2 3.45Å; L414-Y416 PolarHBondContact O-N 3.41Å; Y416-M419 HydrophobicContact CD1-CE 4.45Å; Y416-P435 HydrophobicContact CD2-CG 4.34Å; Y416-P435 HydrophobicContact CE2-CG 3.88Å
417	G	56.5	Low	57.8	Low	60 Å²	60	91.4 Å²	91.4	62%	0.619	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-61.1	158.2	167.4	0	0	0	0	0	110.5	M419	G417-M419 PolarHBondContact O-N 3.48Å; G417-M419 VanDerWaalsContact O-N 3.08Å
418	A	73.1	Confident	60.5	Low	43 Å²	43	89.6 Å²	89.6	36%	0.355	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-62.5	116.3	176.7	0	0	0	0	0	110.1	M439 F448	A418-M439 WeakPolarHBondContact CA-O 3.47Å; A418-M439 HydrophobicContact CB-CB 4.06Å; A418-F448 HydrophobicContact CB-CD1 4.47Å; A418-F448 HydrophobicContact CB-CE1 3.81Å
419	M	78.3	Confident	63	Low	51 Å²	51	88.2 Å²	88.2	25%	0.251	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	145	177.6	-63.7	172.2	175.7	0	0	109.4	Y416 G417 F434 T438 M439 A440 Y441	Y416-M419 HydrophobicContact CD1-CE 4.45Å; G417-M419 PolarHBondContact O-N 3.48Å; G417-M419 VanDerWaalsContact O-N 3.08Å; M419-F434 HydrophobicContact CE-CD1 3.83Å; M419-F434 HydrophobicContact CE-CE1 3.65Å; M419-F434 HydrophobicContact CE-CZ 4.28Å; M419-F434 HydrophobicContact SD-CD1 3.88Å; M419-F434 HydrophobicContact SD-CD2 4.32Å; M419-F434 HydrophobicContact SD-CE1 3.43Å; M419-F434 WeakPolarHBondContact SD-CE1 3.31Å; M419-F434 HydrophobicContact SD-CE2 3.88Å; M419-F434 HydrophobicContact SD-CG 4.32Å; M419-F434 HydrophobicContact SD-CZ 3.41Å; M419-F434 WeakPolarHBondContact SD-CZ 3.34Å; M419-T438 HydrophobicContact CE-CG2 3.92Å; M419-T438 HydrophobicContact SD-CG2 3.69Å; M419-M439 PolarHBondContact N-O 2.81Å; M419-A440 HydrophobicContact CB-CB 4.4Å; M419-A440 CarbonylContact O-C 3.55Å; M419-A440 VanDerWaalsContact O-CA 3.29Å; M419-A440 WeakPolarHBondContact O-CA 3.41Å; M419-Y441 PolarHBondContact O-N 3.06Å
420	V	82.4	Confident	65.6	Low	79 Å²	79	83.4 Å²	83.4	48%	0.479	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	116.1	180	176.7	0	0	0	0	109.1	Y441 R443	V420-Y441 HydrophobicContact CG1-CD1 4.2Å; V420-Y441 HydrophobicContact CG2-CD1 4.36Å; V420-R443 HydrophobicContact CG1-CG 3.88Å; V420-R443 VanDerWaalsContact CG1-NE 3.31Å
421	L	82	Confident	68.2	Low	36 Å²	36	76.4 Å²	76.4	19%	0.188	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	155.5	179.2	-60.2	171.9	0	0	0	109.4	D426 L427 V430 Y441 I442 R443	L421-D426 HydrophobicContact CB-CB 4.42Å; L421-L427 HydrophobicContact CD1-CB 3.77Å; L421-L427 HydrophobicContact CD1-CD1 3.91Å; L421-L427 HydrophobicContact CD1-CG 4.43Å; L421-V430 HydrophobicContact CD1-CG2 4.39Å; L421-Y441 PolarHBondContact N-O 2.89Å; L421-I442 HydrophobicContact CB-CD1 3.86Å; L421-I442 HydrophobicContact CD1-CD1 4.26Å; L421-R443 PolarHBondContact O-N 3.07Å
422	N	82.1	Confident	70.9	Confident	91 Å²	91	78.6 Å²	78.6	49%	0.487	44%	0.435	S	S	.	.	S	Bend	trans	-78	-57.3	-178.8	-65.8	-42.6	0	0	0	110.6	I442 R443 E444	N422-I442 WeakPolarHBondContact O-CG2 3.49Å; N422-R443 PolarHBondContact O-N 2.84Å; N422-R443 WeakPolarHBondContact OD1-CD 3.2Å; N422-R443 PolarHBondContact OD1-NH1 3.39Å; N422-E444 VanDerWaalsContact O-CB 3.22Å; N422-E444 WeakPolarHBondContact O-CB 3.35Å; N422-E444 PolarHBondContact O-N 3.44Å
423	T	89.7	Confident	73.2	Confident	38 Å²	38	75.9 Å²	75.9	23%	0.233	43%	0.429	C	S	.	.			trans	-116.5	161	-174.1	72.4	0	0	0	0	112.6	M425 D426 L427 E444	T423-M425 PolarHBondContact O-N 2.64Å; T423-M425 PolarHBondContact OG1-N 2.89Å; T423-D426 WeakPolarHBondContact CB-OD2 2.95Å; T423-D426 PolarHBondContact N-OD2 3.03Å; T423-D426 WeakPolarHBondContact O-CB 3.3Å; T423-D426 PolarHBondContact O-N 3.21Å; T423-D426 PolarHBondContact OG1-N 2.58Å; T423-D426 VanDerWaalsContact OG1-N 3.08Å; T423-D426 PolarHBondContact OG1-OD2 2.99Å; T423-L427 PolarHBondContact O-N 3.04Å; T423-E444 WeakPolarHBondContact CA-OE2 3.29Å; T423-E444 WeakPolarHBondContact CB-OE2 3.48Å; T423-E444 VanDerWaalsContact CG2-OE2 3.31Å; T423-E444 WeakPolarHBondContact CG2-OE2 3.09Å
424	E	89.9	Confident	75.7	Confident	88 Å²	88	69.7 Å²	69.7	41%	0.411	40%	0.396	S	S	.	.	H	α-helix	trans	-66.1	-26.5	171.2	-60.8	-167.4	160	0	0	112	D426 L427 S428 I442 Y449	E424-D426 VanDerWaalsContact C-N 3.29Å; E424-D426 PolarHBondContact O-N 3.28Å; E424-L427 PolarHBondContact O-N 3.03Å; E424-S428 PolarHBondContact O-N 3.49Å; E424-I442 HydrophobicContact CG-CG1 4.38Å; E424-I442 HydrophobicContact CG-CG2 3.92Å; E424-Y449 VanDerWaalsContact CD-OH 3.24Å; E424-Y449 PolarHBondContact OE1-OH 3.2Å
425	M	87.2	Confident	77.8	Confident	124 Å²	124	66.8 Å²	66.8	61%	0.611	38%	0.384	S	S	*	.	H	α-helix	trans	-64.2	-36.2	173.6	-163.9	-161.9	-65.1	0	0	111.2	T423 S428 K429	T423-M425 PolarHBondContact O-N 2.64Å; T423-M425 PolarHBondContact OG1-N 2.89Å; M425-S428 PolarHBondContact O-N 2.83Å; M425-S428 PolarHBondContact O-OG 2.81Å; M425-K429 WeakPolarHBondContact O-CE 3.31Å; M425-K429 WeakPolarHBondContact O-CG 3.41Å; M425-K429 PolarHBondContact O-N 3.42Å
426	D	84.8	Confident	80.4	Confident	42 Å²	42	67.4 Å²	67.4	23%	0.225	38%	0.375	C	S	.	.	H	α-helix	trans	-66.3	-44.2	175.5	-57.8	-43.7	0	0	0	111.1	L421 T423 E424 S428 K429 V430	L421-D426 HydrophobicContact CB-CB 4.42Å; T423-D426 WeakPolarHBondContact CB-OD2 2.95Å; T423-D426 PolarHBondContact N-OD2 3.03Å; T423-D426 WeakPolarHBondContact O-CB 3.3Å; T423-D426 PolarHBondContact O-N 3.21Å; T423-D426 PolarHBondContact OG1-N 2.58Å; T423-D426 VanDerWaalsContact OG1-N 3.08Å; T423-D426 PolarHBondContact OG1-OD2 2.99Å; E424-D426 VanDerWaalsContact C-N 3.29Å; E424-D426 PolarHBondContact O-N 3.28Å; D426-S428 VanDerWaalsContact C-N 3.31Å; D426-S428 PolarHBondContact O-N 3.29Å; D426-K429 PolarHBondContact O-N 2.95Å; D426-K429 IonicContact OD1-NZ 3.12Å; D426-K429 PolarHBondContact OD1-NZ 3.37Å; D426-V430 WeakPolarHBondContact O-CG2 3.48Å; D426-V430 PolarHBondContact O-N 3.41Å
427	L	88.9	Confident	82.2	Confident	11 Å²	11	63.5 Å²	63.5	6%	0.058	37%	0.374	C	S	.	.	H	α-helix	trans	-58.2	-44.4	171.6	-179.8	59.5	0	0	0	111	L421 T423 E424 K429 V430 S431 F434 A440 I442 Y449 W459	L421-L427 HydrophobicContact CD1-CB 3.77Å; L421-L427 HydrophobicContact CD1-CD1 3.91Å; L421-L427 HydrophobicContact CD1-CG 4.43Å; T423-L427 PolarHBondContact O-N 3.04Å; E424-L427 PolarHBondContact O-N 3.03Å; L427-K429 VanDerWaalsContact C-N 3.3Å; L427-K429 PolarHBondContact O-N 3.24Å; L427-V430 PolarHBondContact O-N 3.04Å; L427-S431 VanDerWaalsContact O-CA 3.3Å; L427-S431 WeakPolarHBondContact O-CA 3.38Å; L427-S431 WeakPolarHBondContact O-CB 3.25Å; L427-S431 PolarHBondContact O-N 3.41Å; L427-S431 PolarHBondContact O-OG 3.48Å; L427-F434 HydrophobicContact CD1-CE2 4.28Å; L427-A440 HydrophobicContact CD1-CB 4.12Å; L427-I442 HydrophobicContact CB-CD1 3.84Å; L427-I442 HydrophobicContact CD2-CD1 4.09Å; L427-Y449 HydrophobicContact CD2-CD1 4.11Å; L427-Y449 HydrophobicContact CD2-CD2 4.26Å; L427-Y449 HydrophobicContact CD2-CG 3.85Å; L427-W459 HydrophobicContact CD1-CH2 3.82Å; L427-W459 HydrophobicContact CD1-CZ2 3.89Å; L427-W459 HydrophobicContact CD1-CZ3 4.15Å; L427-W459 HydrophobicContact CD2-CD2 4.45Å; L427-W459 HydrophobicContact CD2-CE3 4.39Å
428	S	85.9	Confident	83.5	Confident	69 Å²	69	60.8 Å²	60.8	48%	0.483	35%	0.346	S	S	.	.	H	α-helix	trans	-56.6	-42.6	-179.3	79.1	0	0	0	0	112.5	E424 M425 D426 S431	E424-S428 PolarHBondContact O-N 3.49Å; M425-S428 PolarHBondContact O-N 2.83Å; M425-S428 PolarHBondContact O-OG 2.81Å; D426-S428 VanDerWaalsContact C-N 3.31Å; D426-S428 PolarHBondContact O-N 3.29Å; S428-S431 PolarHBondContact O-OG 2.93Å
429	K	83.4	Confident	84.2	Confident	112 Å²	112	62.2 Å²	62.2	49%	0.487	35%	0.346	S	S	.	.	H	α-helix	trans	-58.3	-50.2	178.9	-64.1	160.4	-157.8	164.3	0	112.2	M425 D426 L427 H432	M425-K429 WeakPolarHBondContact O-CE 3.31Å; M425-K429 WeakPolarHBondContact O-CG 3.41Å; M425-K429 PolarHBondContact O-N 3.42Å; D426-K429 PolarHBondContact O-N 2.95Å; D426-K429 IonicContact OD1-NZ 3.12Å; D426-K429 PolarHBondContact OD1-NZ 3.37Å; L427-K429 VanDerWaalsContact C-N 3.3Å; L427-K429 PolarHBondContact O-N 3.24Å; K429-H432 PolarHBondContact O-CE1 3.22Å; K429-H432 PolarHBondContact O-ND1 2.03Å; K429-H432 VanDerWaalsContact O-ND1 3.13Å
430	V	83	Confident	84.6	Confident	56 Å²	56	59.8 Å²	59.8	34%	0.339	33%	0.334	S	S	.	.	H	α-helix	trans	-95.3	-14.6	-174.3	-66.9	0	0	0	0	114.6	L421 D426 L427 H432 T433 F434	L421-V430 HydrophobicContact CD1-CG2 4.39Å; D426-V430 WeakPolarHBondContact O-CG2 3.48Å; D426-V430 PolarHBondContact O-N 3.41Å; L427-V430 PolarHBondContact O-N 3.04Å; V430-H432 PolarHBondContact O-N 3.03Å; V430-T433 PolarHBondContact O-N 2.98Å; V430-T433 PolarHBondContact O-OG1 2.83Å; V430-F434 HydrophobicContact CB-CE2 4.01Å; V430-F434 HydrophobicContact CB-CZ 3.92Å; V430-F434 HydrophobicContact CG2-CD2 4.5Å; V430-F434 HydrophobicContact CG2-CE2 3.43Å; V430-F434 VanDerWaalsContact CG2-CE2 3.43Å; V430-F434 HydrophobicContact CG2-CZ 3.55Å
431	S	85.5	Confident	85	Confident	9 Å²	9	58.7 Å²	58.7	6%	0.063	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47	-36.6	-171.4	54.9	0	0	0	0	114.9	L427 S428 T433 K451 N457	L427-S431 VanDerWaalsContact O-CA 3.3Å; L427-S431 WeakPolarHBondContact O-CA 3.38Å; L427-S431 WeakPolarHBondContact O-CB 3.25Å; L427-S431 PolarHBondContact O-N 3.41Å; L427-S431 PolarHBondContact O-OG 3.48Å; S428-S431 PolarHBondContact O-OG 2.93Å; S431-T433 PolarHBondContact O-N 3.07Å; S431-K451 PolarHBondContact O-NZ 2.87Å; S431-N457 PolarHBondContact O-OD1 3.41Å; S431-N457 VanDerWaalsContact O-OD1 3.05Å; S431-N457 PolarHBondContact OG-ND2 3.38Å
432	H	82.6	Confident	85.2	Confident	122 Å²	122	57 Å²	57	57%	0.565	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-32	-177.2	66.3	-85.6	0	0	0	113.3	K429 V430 K451	K429-H432 PolarHBondContact O-CE1 3.22Å; K429-H432 PolarHBondContact O-ND1 2.03Å; K429-H432 VanDerWaalsContact O-ND1 3.13Å; V430-H432 PolarHBondContact O-N 3.03Å; H432-K451 PolarHBondContact O-NZ 3.01Å; H432-K451 VanDerWaalsContact O-NZ 3.13Å
433	T	78.7	Confident	85.4	Confident	95 Å²	95	60 Å²	60	58%	0.583	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-22.6	-175.9	68	0	0	0	0	113.9	V430 S431	V430-T433 PolarHBondContact O-N 2.98Å; V430-T433 PolarHBondContact O-OG1 2.83Å; S431-T433 PolarHBondContact O-N 3.07Å
434	F	80.6	Confident	85.2	Confident	33 Å²	33	65.1 Å²	65.1	15%	0.145	34%	0.338	C	S	.	.	S	Bend	trans	-75.3	143.5	-175.9	-61	-42.2	0	0	0	113.1	M419 L427 V430 T438 K451 W459	M419-F434 HydrophobicContact CE-CD1 3.83Å; M419-F434 HydrophobicContact CE-CE1 3.65Å; M419-F434 HydrophobicContact CE-CZ 4.28Å; M419-F434 HydrophobicContact SD-CD1 3.88Å; M419-F434 HydrophobicContact SD-CD2 4.32Å; M419-F434 HydrophobicContact SD-CE1 3.43Å; M419-F434 WeakPolarHBondContact SD-CE1 3.31Å; M419-F434 HydrophobicContact SD-CE2 3.88Å; M419-F434 HydrophobicContact SD-CG 4.32Å; M419-F434 HydrophobicContact SD-CZ 3.41Å; M419-F434 WeakPolarHBondContact SD-CZ 3.34Å; L427-F434 HydrophobicContact CD1-CE2 4.28Å; V430-F434 HydrophobicContact CB-CE2 4.01Å; V430-F434 HydrophobicContact CB-CZ 3.92Å; V430-F434 HydrophobicContact CG2-CD2 4.5Å; V430-F434 HydrophobicContact CG2-CE2 3.43Å; V430-F434 VanDerWaalsContact CG2-CE2 3.43Å; V430-F434 HydrophobicContact CG2-CZ 3.55Å; F434-T438 HydrophobicContact CB-CG2 3.97Å; F434-T438 HydrophobicContact CD2-CG2 4.35Å; F434-T438 HydrophobicContact CG-CG2 4.06Å; F434-K451 HydrophobicContact CB-CD 4.35Å; F434-K451 WeakPolarHBondContact O-CD 3.5Å; F434-K451 WeakPolarHBondContact O-CE 3.48Å; F434-K451 PolarHBondContact O-NZ 3.37Å; F434-W459 HydrophobicContact CB-CH2 4.24Å; F434-W459 HydrophobicContact CB-CZ2 4.23Å; F434-W459 AromaticContact CD2-CH2 3.66Å; F434-W459 HydrophobicContact CD2-CH2 3.66Å; F434-W459 AromaticContact CD2-CZ2 3.78Å; F434-W459 HydrophobicContact CD2-CZ2 3.78Å; F434-W459 HydrophobicContact CE2-CH2 4.49Å; F434-W459 HydrophobicContact CG-CH2 4.38Å
435	P	81.1	Confident	85	Confident	53 Å²	53	62.6 Å²	62.6	34%	0.344	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-74.6	161.6	175	30.1	-35.1	0	0	0	112.6	Y416 T438	Y416-P435 HydrophobicContact CD2-CG 4.34Å; Y416-P435 HydrophobicContact CE2-CG 3.88Å; P435-T438 WeakPolarHBondContact CD-OG1 3.43Å; P435-T438 WeakPolarHBondContact O-CB 3.45Å; P435-T438 PolarHBondContact O-N 3.07Å; P435-T438 PolarHBondContact O-OG1 2.82Å
436	V	86.8	Confident	84.9	Confident	75 Å²	75	61.5 Å²	61.5	46%	0.455	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	139.2	169.6	172.9	0	0	0	0	110.4	E454	V436-E454 HydrophobicContact CG2-CB 3.89Å
437	G	83.3	Confident	85	Confident	47 Å²	47	60.6 Å²	60.6	49%	0.485	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.9	-12.5	-172.4	0	0	0	0	0	114.1	M439 K451	G437-M439 PolarHBondContact O-N 2.98Å; G437-K451 PolarHBondContact N-O 3.32Å
438	T	84.4	Confident	85	Confident	2 Å²	2	62.8 Å²	62.8	1%	0.012	34%	0.335	C	S	.	.			trans	-63.2	128.2	175.2	-56.2	0	0	0	0	111	M419 F434 P435 L450 K451 W459	M419-T438 HydrophobicContact CE-CG2 3.92Å; M419-T438 HydrophobicContact SD-CG2 3.69Å; F434-T438 HydrophobicContact CB-CG2 3.97Å; F434-T438 HydrophobicContact CD2-CG2 4.35Å; F434-T438 HydrophobicContact CG-CG2 4.06Å; P435-T438 WeakPolarHBondContact CD-OG1 3.43Å; P435-T438 WeakPolarHBondContact O-CB 3.45Å; P435-T438 PolarHBondContact O-N 3.07Å; P435-T438 PolarHBondContact O-OG1 2.82Å; T438-L450 WeakPolarHBondContact O-CA 3.38Å; T438-K451 PolarHBondContact O-N 3.28Å; T438-W459 HydrophobicContact CG2-CH2 4.13Å; T438-W459 WeakPolarHBondContact O-CZ3 3.46Å
439	M	87.5	Confident	85.3	Confident	73 Å²	73	61 Å²	61	36%	0.36	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	137.5	170.6	-67.4	-179.9	-69.6	0	0	109.9	A418 M419 G437 Y449 L450	A418-M439 WeakPolarHBondContact CA-O 3.47Å; A418-M439 HydrophobicContact CB-CB 4.06Å; M419-M439 PolarHBondContact N-O 2.81Å; G437-M439 PolarHBondContact O-N 2.98Å; M439-Y449 CarbonylContact C-O 3.46Å; M439-Y449 WeakPolarHBondContact CA-O 3.24Å; M439-L450 HydrophobicContact CG-CD1 3.75Å
440	A	87.7	Confident	85.7	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	137.6	172.7	0	0	0	0	0	109.9	M419 L427 F448 Y449 W459	M419-A440 HydrophobicContact CB-CB 4.4Å; M419-A440 CarbonylContact O-C 3.55Å; M419-A440 VanDerWaalsContact O-CA 3.29Å; M419-A440 WeakPolarHBondContact O-CA 3.41Å; L427-A440 HydrophobicContact CD1-CB 4.12Å; A440-F448 CarbonylContact O-C 3.49Å; A440-F448 WeakPolarHBondContact O-CA 3.47Å; A440-Y449 PolarHBondContact N-O 2.66Å; A440-Y449 PolarHBondContact O-N 2.99Å; A440-W459 HydrophobicContact CB-CZ3 4.12Å
441	Y	89.3	Confident	86.1	Confident	57 Å²	57	55.3 Å²	55.3	22%	0.224	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	125.4	173.8	170.2	-103.4	0	0	0	109	M419 V420 L421 R443 D446 F448	M419-Y441 PolarHBondContact O-N 3.06Å; V420-Y441 HydrophobicContact CG1-CD1 4.2Å; V420-Y441 HydrophobicContact CG2-CD1 4.36Å; L421-Y441 PolarHBondContact N-O 2.89Å; Y441-R443 HydrophobicContact CD1-CG 4.35Å; Y441-R443 HydrophobicContact CE1-CG 3.93Å; Y441-D446 PolarHBondContact OH-OD1 2.82Å; Y441-D446 VanDerWaalsContact OH-OD1 3.11Å; Y441-F448 AromaticContact CD2-CD2 3.68Å; Y441-F448 HydrophobicContact CD2-CD2 3.68Å; Y441-F448 HydrophobicContact CD2-CE1 4.42Å; Y441-F448 AromaticContact CD2-CE2 3.5Å; Y441-F448 HydrophobicContact CD2-CE2 3.5Å; Y441-F448 HydrophobicContact CD2-CG 4.21Å; Y441-F448 AromaticContact CD2-CZ 3.91Å; Y441-F448 HydrophobicContact CD2-CZ 3.91Å; Y441-F448 HydrophobicContact CE2-CD2 4.41Å; Y441-F448 HydrophobicContact CE2-CE2 4.13Å; Y441-F448 HydrophobicContact CG-CE1 4.44Å; Y441-F448 HydrophobicContact CG-CE2 4.22Å; Y441-F448 HydrophobicContact CG-CZ 4.16Å
442	I	88.1	Confident	86.4	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	115.2	179.7	-50	-54.2	0	0	0	108.7	L421 N422 E424 L427 E444 A445 D446 T447 Y449	L421-I442 HydrophobicContact CB-CD1 3.86Å; L421-I442 HydrophobicContact CD1-CD1 4.26Å; N422-I442 WeakPolarHBondContact O-CG2 3.49Å; E424-I442 HydrophobicContact CG-CG1 4.38Å; E424-I442 HydrophobicContact CG-CG2 3.92Å; L427-I442 HydrophobicContact CB-CD1 3.84Å; L427-I442 HydrophobicContact CD2-CD1 4.09Å; I442-E444 HydrophobicContact CG2-CB 4.41Å; I442-E444 PolarHBondContact O-N 2.92Å; I442-A445 HydrophobicContact CB-CB 4.25Å; I442-A445 HydrophobicContact CG2-CB 4.16Å; I442-A445 PolarHBondContact O-N 3.14Å; I442-D446 PolarHBondContact O-N 3.32Å; I442-T447 PolarHBondContact N-O 2.88Å; I442-T447 PolarHBondContact O-N 2.75Å; I442-Y449 HydrophobicContact CG1-CD2 3.61Å; I442-Y449 HydrophobicContact CG1-CE2 3.74Å
443	R	84.4	Confident	86.6	Confident	155 Å²	155	55.5 Å²	55.5	59%	0.585	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-40.8	-176.4	-72	175.1	164.4	-178.5	-3.6	113.3	V420 L421 N422 Y441 A445	V420-R443 HydrophobicContact CG1-CG 3.88Å; V420-R443 VanDerWaalsContact CG1-NE 3.31Å; L421-R443 PolarHBondContact O-N 3.07Å; N422-R443 PolarHBondContact O-N 2.84Å; N422-R443 WeakPolarHBondContact OD1-CD 3.2Å; N422-R443 PolarHBondContact OD1-NH1 3.39Å; Y441-R443 HydrophobicContact CD1-CG 4.35Å; Y441-R443 HydrophobicContact CE1-CG 3.93Å; R443-A445 VanDerWaalsContact C-N 3.26Å; R443-A445 PolarHBondContact O-N 2.96Å
444	E	86.1	Confident	86.9	Confident	144 Å²	144	57.2 Å²	57.2	67%	0.673	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-31.6	179.5	-178.9	176.2	-148.1	0	0	112.7	N422 T423 I442	N422-E444 VanDerWaalsContact O-CB 3.22Å; N422-E444 WeakPolarHBondContact O-CB 3.35Å; N422-E444 PolarHBondContact O-N 3.44Å; T423-E444 WeakPolarHBondContact CA-OE2 3.29Å; T423-E444 WeakPolarHBondContact CB-OE2 3.48Å; T423-E444 VanDerWaalsContact CG2-OE2 3.31Å; T423-E444 WeakPolarHBondContact CG2-OE2 3.09Å; I442-E444 HydrophobicContact CG2-CB 4.41Å; I442-E444 PolarHBondContact O-N 2.92Å
445	A	85.2	Confident	87	Confident	36 Å²	36	64.8 Å²	64.8	30%	0.298	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-1.5	-174.4	0	0	0	0	0	114.4	I442 R443 T447	I442-A445 HydrophobicContact CB-CB 4.25Å; I442-A445 HydrophobicContact CG2-CB 4.16Å; I442-A445 PolarHBondContact O-N 3.14Å; R443-A445 VanDerWaalsContact C-N 3.26Å; R443-A445 PolarHBondContact O-N 2.96Å; A445-T447 WeakPolarHBondContact O-CB 3.26Å; A445-T447 PolarHBondContact O-N 3.47Å; A445-T447 VanDerWaalsContact O-N 3.1Å; A445-T447 PolarHBondContact O-OG1 3.02Å
446	D	85.9	Confident	87.4	Confident	100 Å²	100	66.3 Å²	66.3	54%	0.535	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.7	39.7	-171.1	-166.7	14.3	0	0	0	112.8	Y441 I442	Y441-D446 PolarHBondContact OH-OD1 2.82Å; Y441-D446 VanDerWaalsContact OH-OD1 3.11Å; I442-D446 PolarHBondContact O-N 3.32Å
447	T	86.3	Confident	87.4	Confident	24 Å²	24	65.4 Å²	65.4	15%	0.147	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	131.8	-164.5	-70.3	0	0	0	0	112	I442 A445 Y449 I461	I442-T447 PolarHBondContact N-O 2.88Å; I442-T447 PolarHBondContact O-N 2.75Å; A445-T447 WeakPolarHBondContact O-CB 3.26Å; A445-T447 PolarHBondContact O-N 3.47Å; A445-T447 VanDerWaalsContact O-N 3.1Å; A445-T447 PolarHBondContact O-OG1 3.02Å; T447-Y449 HydrophobicContact CG2-CD2 3.87Å; T447-Y449 HydrophobicContact CG2-CE2 3.56Å; T447-I461 HydrophobicContact CG2-CB 4.44Å; T447-I461 HydrophobicContact CG2-CG1 4.22Å; T447-I461 HydrophobicContact CG2-CG2 3.69Å
448	F	90.1	Very high	87.8	Confident	56 Å²	56	65.8 Å²	65.8	25%	0.246	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	138.5	169.5	-80.7	-93.4	0	0	0	111.3	A418 A440 Y441 I461 I462 L464	A418-F448 HydrophobicContact CB-CD1 4.47Å; A418-F448 HydrophobicContact CB-CE1 3.81Å; A440-F448 CarbonylContact O-C 3.49Å; A440-F448 WeakPolarHBondContact O-CA 3.47Å; Y441-F448 AromaticContact CD2-CD2 3.68Å; Y441-F448 HydrophobicContact CD2-CD2 3.68Å; Y441-F448 HydrophobicContact CD2-CE1 4.42Å; Y441-F448 AromaticContact CD2-CE2 3.5Å; Y441-F448 HydrophobicContact CD2-CE2 3.5Å; Y441-F448 HydrophobicContact CD2-CG 4.21Å; Y441-F448 AromaticContact CD2-CZ 3.91Å; Y441-F448 HydrophobicContact CD2-CZ 3.91Å; Y441-F448 HydrophobicContact CE2-CD2 4.41Å; Y441-F448 HydrophobicContact CE2-CE2 4.13Å; Y441-F448 HydrophobicContact CG-CE1 4.44Å; Y441-F448 HydrophobicContact CG-CE2 4.22Å; Y441-F448 HydrophobicContact CG-CZ 4.16Å; F448-I461 WeakPolarHBondContact O-CA 3.36Å; F448-I462 HydrophobicContact CB-CB 3.91Å; F448-I462 PolarHBondContact O-N 3.48Å; F448-L464 HydrophobicContact CD2-CD1 3.96Å; F448-L464 HydrophobicContact CD2-CD2 4.09Å; F448-L464 HydrophobicContact CD2-CG 4.12Å; F448-L464 HydrophobicContact CE2-CD1 4.08Å; F448-L464 HydrophobicContact CE2-CD2 4.4Å
449	Y	91.3	Very high	88.2	Confident	31 Å²	31	67.8 Å²	67.8	12%	0.122	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	132.6	177.4	-80.3	-94.4	0	0	0	109.2	E424 L427 M439 A440 I442 T447 W459 R460 I461	E424-Y449 VanDerWaalsContact CD-OH 3.24Å; E424-Y449 PolarHBondContact OE1-OH 3.2Å; L427-Y449 HydrophobicContact CD2-CD1 4.11Å; L427-Y449 HydrophobicContact CD2-CD2 4.26Å; L427-Y449 HydrophobicContact CD2-CG 3.85Å; M439-Y449 CarbonylContact C-O 3.46Å; M439-Y449 WeakPolarHBondContact CA-O 3.24Å; A440-Y449 PolarHBondContact N-O 2.66Å; A440-Y449 PolarHBondContact O-N 2.99Å; I442-Y449 HydrophobicContact CG1-CD2 3.61Å; I442-Y449 HydrophobicContact CG1-CE2 3.74Å; T447-Y449 HydrophobicContact CG2-CD2 3.87Å; T447-Y449 HydrophobicContact CG2-CE2 3.56Å; Y449-W459 HydrophobicContact CD1-CB 4.09Å; Y449-R460 WeakPolarHBondContact CA-O 3.31Å; Y449-I461 HydrophobicContact CD1-CG1 3.93Å; Y449-I461 HydrophobicContact CE1-CD1 3.99Å; Y449-I461 HydrophobicContact CE1-CG1 3.39Å; Y449-I461 HydrophobicContact CE2-CG1 4.34Å
450	L	91.9	Very high	88.4	Confident	48 Å²	48	72.1 Å²	72.1	25%	0.251	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	122.9	178	171.9	67.5	0	0	0	110.4	T438 M439 T452 W459 R460 I462	T438-L450 WeakPolarHBondContact O-CA 3.38Å; M439-L450 HydrophobicContact CG-CD1 3.75Å; L450-T452 HydrophobicContact CD2-CG2 4.19Å; L450-T452 HydrophobicContact CG-CG2 4.09Å; L450-T452 PolarHBondContact O-N 2.88Å; L450-W459 CarbonylContact O-C 3.16Å; L450-W459 VanDerWaalsContact O-CA 3.29Å; L450-W459 WeakPolarHBondContact O-CA 3.34Å; L450-R460 PolarHBondContact N-O 3.36Å; L450-R460 PolarHBondContact O-N 2.91Å; L450-I462 HydrophobicContact CB-CD1 3.93Å; L450-I462 HydrophobicContact CB-CG1 4.34Å; L450-I462 HydrophobicContact CD2-CD1 4.41Å
451	K	90.7	Very high	88.5	Confident	2 Å²	2	76.4 Å²	76.4	1%	0.009	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	118.8	174.9	-161.7	174	-175.8	172.2	0	109.8	S431 H432 F434 G437 T438 N457 W459	S431-K451 PolarHBondContact O-NZ 2.87Å; H432-K451 PolarHBondContact O-NZ 3.01Å; H432-K451 VanDerWaalsContact O-NZ 3.13Å; F434-K451 HydrophobicContact CB-CD 4.35Å; F434-K451 WeakPolarHBondContact O-CD 3.5Å; F434-K451 WeakPolarHBondContact O-CE 3.48Å; F434-K451 PolarHBondContact O-NZ 3.37Å; G437-K451 PolarHBondContact N-O 3.32Å; T438-K451 PolarHBondContact O-N 3.28Å; K451-N457 VanDerWaalsContact CE-OD1 3.25Å; K451-N457 WeakPolarHBondContact CE-OD1 3.5Å; K451-N457 PolarHBondContact NZ-OD1 3.05Å; K451-W459 HydrophobicContact CB-CD2 3.8Å; K451-W459 HydrophobicContact CB-CE3 3.83Å; K451-W459 HydrophobicContact CB-CH2 3.78Å; K451-W459 HydrophobicContact CB-CZ2 3.72Å; K451-W459 HydrophobicContact CB-CZ3 3.84Å; K451-W459 HydrophobicContact CD-CH2 4.42Å; K451-W459 HydrophobicContact CD-CZ2 3.69Å; K451-W459 HydrophobicContact CG-CD2 4.14Å; K451-W459 HydrophobicContact CG-CH2 4.48Å; K451-W459 HydrophobicContact CG-CZ2 3.92Å
452	T	91.8	Very high	88.3	Confident	35 Å²	35	77 Å²	77	22%	0.215	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	-23.2	-174.4	59.5	0	0	0	0	114.6	L450 T458 R460	L450-T452 HydrophobicContact CD2-CG2 4.19Å; L450-T452 HydrophobicContact CG-CG2 4.09Å; L450-T452 PolarHBondContact O-N 2.88Å; T452-T458 PolarHBondContact N-O 3.31Å; T452-T458 PolarHBondContact OG1-O 3.25Å; T452-R460 HydrophobicContact CG2-CB 4.18Å; T452-R460 HydrophobicContact CG2-CG 3.71Å
453	M	88	Confident	87.6	Confident	100 Å²	100	82.9 Å²	82.9	49%	0.493	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	132.1	176.1	-52.4	-176.3	78.1	0	0	110.1	T456 N457 T458	M453-T456 WeakPolarHBondContact CB-OG1 3.48Å; M453-N457 CarbonylContact O-C 3.6Å; M453-N457 WeakPolarHBondContact O-CA 3.48Å; M453-N457 PolarHBondContact O-N 3.48Å; M453-T458 PolarHBondContact N-O 3.09Å; M453-T458 PolarHBondContact O-N 3.01Å
454	E	84.9	Confident	86.8	Confident	131 Å²	131	79.8 Å²	79.8	61%	0.612	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-54.1	-176.1	-161.6	172.9	170	0	0	111.9	V436 T456 N457	V436-E454 HydrophobicContact CG2-CB 3.89Å; E454-T456 PolarHBondContact O-N 3Å; E454-T456 VanDerWaalsContact O-N 3.1Å; E454-N457 PolarHBondContact O-N 3.13Å
455	Q	81.8	Confident	85.7	Confident	191 Å²	191	79.4 Å²	79.4	89%	0.893	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-32.9	-175.3	-63.6	172.3	-7.3	0	0	113.8
456	T	89.3	Confident	84.2	Confident	86 Å²	86	83.8 Å²	83.8	53%	0.528	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	10.9	-178.1	52.7	0	0	0	0	112.4	M453 E454 T458	M453-T456 WeakPolarHBondContact CB-OG1 3.48Å; E454-T456 PolarHBondContact O-N 3Å; E454-T456 VanDerWaalsContact O-N 3.1Å; T456-T458 VanDerWaalsContact CB-OG1 3.29Å; T456-T458 WeakPolarHBondContact CB-OG1 3.45Å; T456-T458 PolarHBondContact O-N 2.91Å; T456-T458 VanDerWaalsContact O-N 3.08Å; T456-T458 PolarHBondContact O-OG1 3.48Å; T456-T458 PolarHBondContact OG1-OG1 3.3Å
457	N	88.2	Confident	82.7	Confident	56 Å²	56	88 Å²	88	30%	0.299	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	41.4	45.6	-176.2	-168.5	22.5	0	0	0	113.3	S431 K451 M453 E454 W459	S431-N457 PolarHBondContact O-OD1 3.41Å; S431-N457 VanDerWaalsContact O-OD1 3.05Å; S431-N457 PolarHBondContact OG-ND2 3.38Å; K451-N457 VanDerWaalsContact CE-OD1 3.25Å; K451-N457 WeakPolarHBondContact CE-OD1 3.5Å; K451-N457 PolarHBondContact NZ-OD1 3.05Å; M453-N457 CarbonylContact O-C 3.6Å; M453-N457 WeakPolarHBondContact O-CA 3.48Å; M453-N457 PolarHBondContact O-N 3.48Å; E454-N457 PolarHBondContact O-N 3.13Å; N457-W459 VanDerWaalsContact O-CD1 3.23Å; N457-W459 PolarHBondContact OD1-NE1 3Å
458	T	90.9	Very high	81.2	Confident	54 Å²	54	89.9 Å²	89.9	33%	0.331	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	111.9	-166.5	-53	0	0	0	0	111.6	T452 M453 T456	T452-T458 PolarHBondContact N-O 3.31Å; T452-T458 PolarHBondContact OG1-O 3.25Å; M453-T458 PolarHBondContact N-O 3.09Å; M453-T458 PolarHBondContact O-N 3.01Å; T456-T458 VanDerWaalsContact CB-OG1 3.29Å; T456-T458 WeakPolarHBondContact CB-OG1 3.45Å; T456-T458 PolarHBondContact O-N 2.91Å; T456-T458 VanDerWaalsContact O-N 3.08Å; T456-T458 PolarHBondContact O-OG1 3.48Å; T456-T458 PolarHBondContact OG1-OG1 3.3Å
459	W	92.4	Very high	79.5	Confident	44 Å²	44	94.5 Å²	94.5	17%	0.167	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	148.4	175.2	-61.8	74.9	0	0	0	110.9	L427 F434 T438 A440 Y449 L450 K451 N457	L427-W459 HydrophobicContact CD1-CH2 3.82Å; L427-W459 HydrophobicContact CD1-CZ2 3.89Å; L427-W459 HydrophobicContact CD1-CZ3 4.15Å; L427-W459 HydrophobicContact CD2-CD2 4.45Å; L427-W459 HydrophobicContact CD2-CE3 4.39Å; F434-W459 HydrophobicContact CB-CH2 4.24Å; F434-W459 HydrophobicContact CB-CZ2 4.23Å; F434-W459 AromaticContact CD2-CH2 3.66Å; F434-W459 HydrophobicContact CD2-CH2 3.66Å; F434-W459 AromaticContact CD2-CZ2 3.78Å; F434-W459 HydrophobicContact CD2-CZ2 3.78Å; F434-W459 HydrophobicContact CE2-CH2 4.49Å; F434-W459 HydrophobicContact CG-CH2 4.38Å; T438-W459 HydrophobicContact CG2-CH2 4.13Å; T438-W459 WeakPolarHBondContact O-CZ3 3.46Å; A440-W459 HydrophobicContact CB-CZ3 4.12Å; Y449-W459 HydrophobicContact CD1-CB 4.09Å; L450-W459 CarbonylContact O-C 3.16Å; L450-W459 VanDerWaalsContact O-CA 3.29Å; L450-W459 WeakPolarHBondContact O-CA 3.34Å; K451-W459 HydrophobicContact CB-CD2 3.8Å; K451-W459 HydrophobicContact CB-CE3 3.83Å; K451-W459 HydrophobicContact CB-CH2 3.78Å; K451-W459 HydrophobicContact CB-CZ2 3.72Å; K451-W459 HydrophobicContact CB-CZ3 3.84Å; K451-W459 HydrophobicContact CD-CH2 4.42Å; K451-W459 HydrophobicContact CD-CZ2 3.69Å; K451-W459 HydrophobicContact CG-CD2 4.14Å; K451-W459 HydrophobicContact CG-CH2 4.48Å; K451-W459 HydrophobicContact CG-CZ2 3.92Å; N457-W459 VanDerWaalsContact O-CD1 3.23Å; N457-W459 PolarHBondContact OD1-NE1 3Å
460	R	91.6	Very high	78	Confident	165 Å²	165	97.6 Å²	97.6	62%	0.623	52%	0.521	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.8	132.9	169	-66.7	-172.1	-169.1	179.4	-0.2	109.7	Y449 L450 T452 I462	Y449-R460 WeakPolarHBondContact CA-O 3.31Å; L450-R460 PolarHBondContact N-O 3.36Å; L450-R460 PolarHBondContact O-N 2.91Å; T452-R460 HydrophobicContact CG2-CB 4.18Å; T452-R460 HydrophobicContact CG2-CG 3.71Å; R460-I462 PolarHBondContact O-N 2.9Å
461	I	90.6	Very high	76.5	Confident	89 Å²	89	101.5 Å²	101.5	46%	0.456	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	125.2	168.6	-71.1	167.4	0	0	0	108.8	T447 F448 Y449 N463	T447-I461 HydrophobicContact CG2-CB 4.44Å; T447-I461 HydrophobicContact CG2-CG1 4.22Å; T447-I461 HydrophobicContact CG2-CG2 3.69Å; F448-I461 WeakPolarHBondContact O-CA 3.36Å; Y449-I461 HydrophobicContact CD1-CG1 3.93Å; Y449-I461 HydrophobicContact CE1-CD1 3.99Å; Y449-I461 HydrophobicContact CE1-CG1 3.39Å; Y449-I461 HydrophobicContact CE2-CG1 4.34Å; I461-N463 VanDerWaalsContact CG2-OD1 3.27Å; I461-N463 WeakPolarHBondContact CG2-OD1 3.23Å
462	I	85.9	Confident	75.3	Confident	69 Å²	69	109 Å²	109	35%	0.354	58%	0.581	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.7	92.6	166.1	-58.9	175.4	0	0	0	106	F448 L450 R460 L464	F448-I462 HydrophobicContact CB-CB 3.91Å; F448-I462 PolarHBondContact O-N 3.48Å; L450-I462 HydrophobicContact CB-CD1 3.93Å; L450-I462 HydrophobicContact CB-CG1 4.34Å; L450-I462 HydrophobicContact CD2-CD1 4.41Å; R460-I462 PolarHBondContact O-N 2.9Å; I462-L464 PolarHBondContact O-N 3.42Å; I462-L464 VanDerWaalsContact O-N 3.08Å
463	N	72.5	Confident	73.6	Confident	125 Å²	125	113.8 Å²	113.8	67%	0.668	60%	0.604	S	S	*	*			trans	-61.8	112.1	174.1	-84.2	-23.5	0	0	0	109.8	I461 L465	I461-N463 VanDerWaalsContact CG2-OD1 3.27Å; I461-N463 WeakPolarHBondContact CG2-OD1 3.23Å; N463-L465 PolarHBondContact O-N 2.97Å
464	L	68.1	Low	72.2	Confident	90 Å²	90	114.5 Å²	114.5	47%	0.471	62%	0.616	S	S	.	*			trans	-64.6	101	160.1	-62.4	179	0	0	0	107.1	F448 I462 S466	F448-L464 HydrophobicContact CD2-CD1 3.96Å; F448-L464 HydrophobicContact CD2-CD2 4.09Å; F448-L464 HydrophobicContact CD2-CG 4.12Å; F448-L464 HydrophobicContact CE2-CD1 4.08Å; F448-L464 HydrophobicContact CE2-CD2 4.4Å; I462-L464 PolarHBondContact O-N 3.42Å; I462-L464 VanDerWaalsContact O-N 3.08Å; L464-S466 PolarHBondContact O-N 2.83Å
465	L	62.5	Low	70.5	Confident	135 Å²	135	115.6 Å²	115.6	71%	0.707	63%	0.625	S	S	*	*			trans	-56.6	133.4	174.3	-70.2	172.1	0	0	0	108.4	N463 K467 A468	N463-L465 PolarHBondContact O-N 2.97Å; L465-K467 PolarHBondContact O-N 3.31Å; L465-A468 WeakPolarHBondContact O-CB 3.09Å; L465-A468 PolarHBondContact O-N 3.43Å
466	S	54.4	Low	68.7	Low	129 Å²	129	111.8 Å²	111.8	90%	0.902	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	21	-180	72.4	0	0	0	0	114.6	L464	L464-S466 PolarHBondContact O-N 2.83Å
467	K	53.2	Low	66.9	Low	187 Å²	187	116.7 Å²	116.7	81%	0.813	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129	7.7	172	-77.3	-169.5	171.7	-173.4	0	112.3	L465 D469	L465-K467 PolarHBondContact O-N 3.31Å; K467-D469 PolarHBondContact O-N 3.03Å
468	A	55.5	Low	64.7	Low	65 Å²	65	119.8 Å²	119.8	54%	0.537	65%	0.654	S	S	.	*	S	Bend	trans	-61.1	122	159.6	0	0	0	0	0	106.9	L465 A470	L465-A468 WeakPolarHBondContact O-CB 3.09Å; L465-A468 PolarHBondContact O-N 3.43Å; A468-A470 PolarHBondContact O-N 3.22Å
469	D	54.8	Low	62.6	Low	153 Å²	153	122.6 Å²	122.6	82%	0.818	67%	0.671	S	S	*	*			trans	-63.2	102.1	-174.6	-69.1	-64.6	0	0	0	110	K467 I471	K467-D469 PolarHBondContact O-N 3.03Å; D469-I471 PolarHBondContact O-N 2.87Å
470	A	59.6	Low	60.5	Low	96 Å²	96	126 Å²	126	79%	0.793	70%	0.698	S	S	*	*			trans	-71.3	81.5	177.2	0	0	0	0	0	109.4	A468 N472	A468-A470 PolarHBondContact O-N 3.22Å; A470-N472 PolarHBondContact O-N 2.96Å
471	I	60.6	Low	57.9	Low	130 Å²	130	122.1 Å²	122.1	67%	0.667	70%	0.702	S	S	*	*			trans	-64.6	109.8	176.8	-53.2	179.2	0	0	0	107.7	D469 L473	D469-I471 PolarHBondContact O-N 2.87Å; I471-L473 HydrophobicContact CG2-CD2 4.08Å; I471-L473 PolarHBondContact O-N 2.73Å
472	N	64.5	Low	55.5	Low	158 Å²	158	123 Å²	123	85%	0.845	71%	0.713	S	S	*	*			trans	-64.1	86.8	161.1	-79.5	-68.2	0	0	0	108	A470	A470-N472 PolarHBondContact O-N 2.96Å
473	L	55.4	Low	53.2	Low	137 Å²	137	126.1 Å²	126.1	72%	0.717	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-54.5	122.6	169.8	-66.8	176.3	0	0	0	106.8	I471 I475	I471-L473 HydrophobicContact CG2-CD2 4.08Å; I471-L473 PolarHBondContact O-N 2.73Å; L473-I475 PolarHBondContact O-N 3.36Å
474	P	59.1	Low	51.5	Low	114 Å²	114	126.6 Å²	126.6	74%	0.74	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-61.7	116.4	-178.3	24.8	-32.6	0	0	0	107.6	P476	P474-P476 VanDerWaalsContact O-CD 3.31Å; P474-P476 WeakPolarHBondContact O-CD 3.41Å
475	I	49.2	Very low	50.1	Low	154 Å²	154	130 Å²	130	79%	0.79	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-48.3	118.9	172.6	-60.1	173	0	0	0	105.8	L473 K477	L473-I475 PolarHBondContact O-N 3.36Å; I475-K477 PolarHBondContact O-N 3.14Å
476	P	43.8	Very low	48.9	Very low	111 Å²	111	128.3 Å²	128.3	72%	0.721	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-54.5	116.1	178.7	-25.6	34.5	0	0	0	107.2	P474	P474-P476 VanDerWaalsContact O-CD 3.31Å; P474-P476 WeakPolarHBondContact O-CD 3.41Å
477	K	51.3	Low	48.2	Very low	190 Å²	190	128.5 Å²	128.5	83%	0.826	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-48.9	121.9	173.2	-95.5	-172.3	174.2	-178.4	0	105.4	I475 T479	I475-K477 PolarHBondContact O-N 3.14Å; K477-T479 PolarHBondContact O-N 2.76Å
478	P	42.7	Very low	47.6	Very low	120 Å²	120	129.1 Å²	129.1	78%	0.779	73%	0.728	S	S	*	*			trans	-55.2	112.1	-169.6	19.9	-32.2	0	0	0	107.1
479	T	47.9	Very low	47.1	Very low	113 Å²	113	128 Å²	128	69%	0.693	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-53.1	119.4	-177.2	-57.9	0	0	0	0	105.6	K477 A481	K477-T479 PolarHBondContact O-N 2.76Å; T479-A481 PolarHBondContact O-N 2.79Å
480	P	47.1	Very low	46.4	Very low	115 Å²	115	123.2 Å²	123.2	75%	0.747	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-53.8	117.6	-176.6	21.6	-32.3	0	0	0	106.4
481	A	36.8	Very low	45.6	Very low	84 Å²	84	122.7 Å²	122.7	69%	0.694	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-47.8	121.3	-160.4	0	0	0	0	0	108.4	T479 V483	T479-A481 PolarHBondContact O-N 2.79Å; A481-V483 PolarHBondContact O-N 3.06Å
482	P	41.1	Very low	44.9	Very low	107 Å²	107	120.8 Å²	120.8	70%	0.695	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-53.2	116.8	-161.9	19.6	-32.5	0	0	0	107.9	F484	P482-F484 PolarHBondContact O-N 3.34Å
483	V	37.7	Very low	44.1	Very low	136 Å²	136	123.9 Å²	123.9	82%	0.824	67%	0.668	S	S	*	*			trans	-55.1	110.8	-174.2	176.4	0	0	0	0	105.7	A481 E485	A481-V483 PolarHBondContact O-N 3.06Å; V483-E485 PolarHBondContact O-N 3.08Å
484	F	37.4	Very low	44.6	Very low	135 Å²	135	120.2 Å²	120.2	59%	0.592	66%	0.664	S	S	*	*			trans	-76.3	80.3	-167.4	-161.5	-80.2	0	0	0	107.7	P482 P486	P482-F484 PolarHBondContact O-N 3.34Å; F484-P486 VanDerWaalsContact O-CD 3.29Å; F484-P486 WeakPolarHBondContact O-CD 3.31Å; F484-P486 VanDerWaalsContact O-N 3.08Å
485	E	38	Very low	45.7	Very low	161 Å²	161	120.7 Å²	120.7	75%	0.752	65%	0.654	S	S	*	*			trans	-51.9	115.8	161.4	-71.5	-165.6	148	0	0	106	V483 Q487	V483-E485 PolarHBondContact O-N 3.08Å; E485-Q487 PolarHBondContact O-N 3.27Å
486	P	36.1	Very low	47.7	Very low	100 Å²	100	114.7 Å²	114.7	65%	0.649	62%	0.622	S	S	*	*			trans	-68.2	99.8	-174.9	26.4	-32.8	0	0	0	107.7	F484 Y488	F484-P486 VanDerWaalsContact O-CD 3.29Å; F484-P486 WeakPolarHBondContact O-CD 3.31Å; F484-P486 VanDerWaalsContact O-N 3.08Å; P486-Y488 PolarHBondContact O-N 3.24Å
487	Q	41.3	Very low	50	Low	133 Å²	133	109.4 Å²	109.4	62%	0.621	59%	0.588	S	S	*	*			trans	-56.8	106.7	176.4	-75.6	-167.4	-32.7	0	0	108.2	E485 Y489	E485-Q487 PolarHBondContact O-N 3.27Å; Q487-Y489 VanDerWaalsContact C-N 3.27Å; Q487-Y489 HydrophobicContact CB-CE2 4.14Å; Q487-Y489 WeakPolarHBondContact O-CD2 3.49Å; Q487-Y489 VanDerWaalsContact O-CE2 3.26Å; Q487-Y489 WeakPolarHBondContact O-CE2 3.37Å; Q487-Y489 PolarHBondContact O-N 3.42Å
488	Y	39.6	Very low	52	Low	200 Å²	200	101.3 Å²	101.3	78%	0.784	55%	0.552	S	S	*	*			trans	-84.3	77	-170.5	-149.9	-78.1	0	0	0	108.9	P486 V491	P486-Y488 PolarHBondContact O-N 3.24Å; Y488-V491 HydrophobicContact CE1-CG2 3.99Å
489	Y	44.7	Very low	54.6	Low	40 Å²	40	95.6 Å²	95.6	16%	0.157	52%	0.515	C	S	.	.			trans	-50.9	140.6	178.1	-58.1	-85.3	0	0	0	110.6	Q487 V491 K534 L536 L568	Q487-Y489 VanDerWaalsContact C-N 3.27Å; Q487-Y489 HydrophobicContact CB-CE2 4.14Å; Q487-Y489 WeakPolarHBondContact O-CD2 3.49Å; Q487-Y489 VanDerWaalsContact O-CE2 3.26Å; Q487-Y489 WeakPolarHBondContact O-CE2 3.37Å; Q487-Y489 PolarHBondContact O-N 3.42Å; Y489-V491 PolarHBondContact O-N 3.12Å; Y489-V491 VanDerWaalsContact O-N 3.11Å; Y489-K534 WeakPolarHBondContact CE2-O 3.5Å; Y489-K534 PolarHBondContact OH-O 3.31Å; Y489-K534 VanDerWaalsContact OH-O 3.07Å; Y489-L536 HydrophobicContact CD2-CD2 4.17Å; Y489-L536 HydrophobicContact CE2-CD2 4.21Å; Y489-L536 HydrophobicContact CG-CD2 4.32Å; Y489-L568 HydrophobicContact CD1-CD1 4.48Å; Y489-L568 WeakPolarHBondContact CD1-O 3.48Å; Y489-L568 HydrophobicContact CE1-CD1 3.69Å; Y489-L568 HydrophobicContact CE1-CG 4.06Å
490	P	41.7	Very low	56.9	Low	54 Å²	54	90.2 Å²	90.2	35%	0.351	48%	0.482	S	S	.	.			trans	-63.7	119.5	-171.3	24	-33.6	0	0	0	111.9	H492 K496 H569	P490-H492 PolarHBondContact O-N 3.44Å; P490-K496 PolarHBondContact O-NZ 2.86Å; P490-H569 WeakPolarHBondContact CG-O 3.5Å
491	V	41.2	Very low	59.2	Low	84 Å²	84	84.8 Å²	84.8	51%	0.509	45%	0.447	S	S	.	.			trans	-74.3	79.1	173.2	-175	0	0	0	0	108.4	Y488 Y489	Y488-V491 HydrophobicContact CE1-CG2 3.99Å; Y489-V491 PolarHBondContact O-N 3.12Å; Y489-V491 VanDerWaalsContact O-N 3.11Å
492	H	46.1	Very low	61.9	Low	91 Å²	91	81.4 Å²	81.4	42%	0.421	42%	0.417	S	S	.	.			trans	-69.9	130.8	172.7	-62.1	-41.4	0	0	0	110	P490 G494 K496 G570	P490-H492 PolarHBondContact O-N 3.44Å; H492-G494 PolarHBondContact O-N 3.19Å; H492-K496 HydrophobicContact CB-CD 4.43Å; H492-G570 PolarHBondContact CD2-O 2.76Å; H492-G570 PolarHBondContact NE2-O 2.82Å
493	K	47.6	Very low	64.3	Low	223 Å²	223	78.5 Å²	78.5	97%	0.97	40%	0.395	S	S	*	.	S	Bend	trans	-69	103	178	-72.6	-174.5	175.6	-177.5	0	111.1
494	G	65.7	Low	66.6	Low	60 Å²	60	76.9 Å²	76.9	62%	0.619	38%	0.378	S	S	*	.	S	Bend	trans	150.2	160.6	173.3	0	0	0	0	0	111.8	H492 K496	H492-G494 PolarHBondContact O-N 3.19Å; G494-K496 PolarHBondContact O-N 2.69Å
495	K	83.3	Confident	69.1	Low	124 Å²	124	72.4 Å²	72.4	54%	0.539	36%	0.363	S	S	.	.			trans	-67.3	129.5	169.2	-69.5	-177.5	177.4	-179.3	0	108.4	Y559 V563 P564 P679	K495-Y559 HydrophobicContact CD-CE1 4.43Å; K495-V563 HydrophobicContact CB-CG1 4.15Å; K495-P564 WeakPolarHBondContact O-CD 3.39Å; K495-P679 HydrophobicContact CB-CB 4.25Å; K495-P679 HydrophobicContact CB-CG 3.97Å; K495-P679 HydrophobicContact CD-CG 4.34Å; K495-P679 HydrophobicContact CG-CB 4.32Å; K495-P679 HydrophobicContact CG-CG 4.18Å
496	K	90	Very high	71.6	Confident	27 Å²	27	66.3 Å²	66.3	12%	0.117	34%	0.335	C	S	.	.			trans	-141.8	153.9	176.1	57.9	177.6	178.6	161.8	0	108.9	P490 H492 G494 Y498 V566	P490-K496 PolarHBondContact O-NZ 2.86Å; H492-K496 HydrophobicContact CB-CD 4.43Å; G494-K496 PolarHBondContact O-N 2.69Å; K496-Y498 WeakPolarHBondContact CE-OH 3.4Å; K496-Y498 PolarHBondContact NZ-OH 3.33Å; K496-V566 HydrophobicContact CB-CG1 4.22Å; K496-V566 HydrophobicContact CB-CG2 4.34Å; K496-V566 HydrophobicContact CD-CG1 4.34Å; K496-V566 HydrophobicContact CD-CG2 4.01Å; K496-V566 HydrophobicContact CG-CG2 4.44Å
497	L	92.3	Very high	74.1	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	131.9	172.6	-60	178	0	0	0	109.1	V555 V563 P564 L565 V566 Q676 P679	L497-V555 HydrophobicContact CD1-CG1 3.87Å; L497-V555 HydrophobicContact CD1-CG2 4.23Å; L497-V563 HydrophobicContact CD1-CG1 4.43Å; L497-V563 HydrophobicContact CG-CG1 3.92Å; L497-P564 PolarHBondContact N-O 2.79Å; L497-L565 HydrophobicContact CB-CD2 3.81Å; L497-L565 HydrophobicContact CD1-CD2 4.09Å; L497-L565 HydrophobicContact CG-CD2 4.46Å; L497-L565 CarbonylContact O-C 3.55Å; L497-L565 VanDerWaalsContact O-CA 3.31Å; L497-L565 WeakPolarHBondContact O-CA 3.33Å; L497-V566 PolarHBondContact O-N 2.04Å; L497-Q676 WeakPolarHBondContact CD2-O 3.4Å; L497-P679 HydrophobicContact CD2-CB 4.43Å; L497-P679 HydrophobicContact CD2-CG 3.77Å
498	Y	94.7	Very high	76.2	Confident	21 Å²	21	60.4 Å²	60.4	8%	0.082	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	137.1	174.3	-69	-81.4	0	0	0	111.2	K496 I500 L536 F540 V566 N567 I675 Q676	K496-Y498 WeakPolarHBondContact CE-OH 3.4Å; K496-Y498 PolarHBondContact NZ-OH 3.33Å; Y498-I500 HydrophobicContact CD1-CD1 4.38Å; Y498-I500 HydrophobicContact CG-CD1 4.5Å; Y498-L536 HydrophobicContact CD2-CD2 4.47Å; Y498-L536 HydrophobicContact CE1-CD2 4.29Å; Y498-L536 HydrophobicContact CE2-CD2 4.21Å; Y498-F540 HydrophobicContact CD2-CZ 4.34Å; Y498-F540 HydrophobicContact CG-CZ 4.31Å; Y498-V566 CarbonylContact C-O 3.58Å; Y498-V566 WeakPolarHBondContact CA-O 3.44Å; Y498-V566 HydrophobicContact CD1-CG2 3.57Å; Y498-V566 HydrophobicContact CE1-CG2 3.78Å; Y498-V566 HydrophobicContact CG-CG2 4.1Å; Y498-N567 WeakPolarHBondContact CD1-O 3.37Å; Y498-I675 CarbonylContact O-C 3.54Å; Y498-I675 WeakPolarHBondContact O-CA 3.27Å; Y498-Q676 PolarHBondContact O-N 3.06Å
499	L	96.3	Very high	78.3	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	113.3	170.7	178.5	70.1	0	0	0	108.4	L543 L565 V566 L573 F574 L580 L673 C674 I675	L499-L543 HydrophobicContact CD1-CD2 3.8Å; L499-L565 HydrophobicContact CB-CB 4.42Å; L499-L565 HydrophobicContact CD2-CD1 4.05Å; L499-V566 PolarHBondContact N-O 3.11Å; L499-L573 HydrophobicContact CB-CD1 4.09Å; L499-L573 HydrophobicContact CD2-CD1 4.16Å; L499-L573 HydrophobicContact CG-CD1 4.38Å; L499-F574 HydrophobicContact CD2-CD2 4Å; L499-F574 HydrophobicContact CD2-CE2 3.76Å; L499-L580 HydrophobicContact CD2-CD2 3.63Å; L499-L673 HydrophobicContact CD1-CB 4.16Å; L499-L673 HydrophobicContact CD1-CD1 4.25Å; L499-L673 HydrophobicContact CD2-CD1 4.46Å; L499-C674 WeakPolarHBondContact CA-O 3.15Å; L499-I675 HydrophobicContact CD1-CB 3.87Å; L499-I675 HydrophobicContact CD1-CD1 4.31Å; L499-I675 HydrophobicContact CD1-CG1 4.14Å
500	I	96.5	Very high	80	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	139.3	-167.4	-55.8	172.7	0	0	0	109	Y498 L536 F540 L568 F594 C674	Y498-I500 HydrophobicContact CD1-CD1 4.38Å; Y498-I500 HydrophobicContact CG-CD1 4.5Å; I500-L536 HydrophobicContact CD1-CD1 3.35Å; I500-F540 HydrophobicContact CD1-CE1 4.32Å; I500-L568 HydrophobicContact CD1-CB 4.1Å; I500-L568 HydrophobicContact CD1-CD1 3.88Å; I500-L568 HydrophobicContact CG1-CB 4.38Å; I500-F594 HydrophobicContact CB-CD1 4.31Å; I500-F594 HydrophobicContact CB-CE1 4.01Å; I500-F594 HydrophobicContact CB-CE2 4.28Å; I500-F594 HydrophobicContact CB-CZ 4.01Å; I500-F594 HydrophobicContact CD1-CD1 4.14Å; I500-F594 HydrophobicContact CD1-CE1 3.92Å; I500-F594 HydrophobicContact CG2-CB 4.24Å; I500-F594 HydrophobicContact CG2-CD1 3.68Å; I500-F594 HydrophobicContact CG2-CD2 3.77Å; I500-F594 HydrophobicContact CG2-CE1 3.9Å; I500-F594 HydrophobicContact CG2-CE2 3.99Å; I500-F594 HydrophobicContact CG2-CG 3.62Å; I500-F594 HydrophobicContact CG2-CZ 4.06Å; I500-F594 VanDerWaalsContact CG2-N 3.35Å; I500-C674 PolarHBondContact N-O 3.16Å; I500-C674 WeakPolarHBondContact O-CA 3.23Å; I500-C674 WeakPolarHBondContact O-CB 3.44Å; I500-C674 PolarHBondContact O-N 3.42Å
501	A	96.2	Very high	81.2	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	153.1	178.3	0	0	0	0	0	113.1	L592 N593 F594 I599 L673	A501-L592 PolarHBondContact N-O 3.27Å; A501-N593 HydrophobicContact CB-CB 4.19Å; A501-N593 WeakPolarHBondContact O-CA 3.49Å; A501-N593 WeakPolarHBondContact O-CB 3.34Å; A501-F594 WeakPolarHBondContact O-CD2 3.35Å; A501-F594 PolarHBondContact O-N 3.49Å; A501-I599 HydrophobicContact CB-CD1 3.4Å; A501-I599 HydrophobicContact CB-CG1 4.04Å; A501-L673 HydrophobicContact CB-CD2 3.89Å
502	Q	91.9	Very high	82	Confident	14 Å²	14	48.1 Å²	48.1	7%	0.065	24%	0.235	C	C	.	.			trans	-62.8	145.8	169	-84.2	-60.6	-9.8	0	0	112.7	A526 R671 M672 C674	Q502-A526 PolarHBondContact NE2-O 3.14Å; Q502-R671 PolarHBondContact O-NH1 3.01Å; Q502-M672 HydrophobicContact CG-CB 4.25Å; Q502-M672 HydrophobicContact CG-CE 3.89Å; Q502-M672 PolarHBondContact N-O 3.07Å; Q502-C674 PolarHBondContact NE2-SG 3.45Å; Q502-C674 VanDerWaalsContact NE2-SG 3.4Å
503	N	91.1	Very high	82.3	Confident	45 Å²	45	48 Å²	48	24%	0.241	24%	0.237	C	C	.	.	S	Bend	trans	-73.4	-33.8	178.9	-72.7	-8.2	0	0	0	112.4	N593 F594 D595 R671	N503-N593 WeakPolarHBondContact OD1-CB 2.92Å; N503-N593 VanDerWaalsContact OD1-CG 3.29Å; N503-N593 PolarHBondContact OD1-ND2 2.84Å; N503-F594 WeakPolarHBondContact OD1-CA 3.24Å; N503-F594 WeakPolarHBondContact OD1-CB 3.05Å; N503-F594 PolarHBondContact OD1-N 3Å; N503-D595 PolarHBondContact ND2-OD1 2.85Å; N503-D595 PolarHBondContact ND2-OD2 2.8Å; N503-D595 PolarHBondContact OD1-N 3.49Å; N503-D595 VanDerWaalsContact OD1-N 3.07Å; N503-R671 PolarHBondContact O-NH1 3.18Å
504	E	86.8	Confident	82.2	Confident	102 Å²	102	44.4 Å²	44.4	48%	0.477	23%	0.229	S	C	.	.	S	Bend	trans	-90.6	136.1	-179.5	-70.3	168.7	-168.3	0	0	111.1	L506	E504-L506 HydrophobicContact CB-CD2 4.15Å
505	P	90.1	Very high	81.2	Confident	42 Å²	42	44.9 Å²	44.9	27%	0.273	21%	0.212	S	C	.	.			trans	-67.1	126.1	163.8	-20.2	34.1	0	0	0	110.7	V604 A605 F669	P505-V604 HydrophobicContact CB-CG1 4.41Å; P505-V604 HydrophobicContact CG-CG1 3.83Å; P505-A605 HydrophobicContact CB-CB 4.15Å; P505-F669 HydrophobicContact CB-CB 3.86Å; P505-F669 HydrophobicContact CB-CD1 4.01Å; P505-F669 HydrophobicContact CB-CG 4.2Å; P505-F669 WeakPolarHBondContact O-CD1 3.48Å
506	L	90	Very high	79.3	Confident	32 Å²	32	43.4 Å²	43.4	17%	0.168	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-113.8	143	-174	-55.5	178.5	0	0	0	111.7	E504 L510 W609 F669 C670 M672	E504-L506 HydrophobicContact CB-CD2 4.15Å; L506-L510 HydrophobicContact CB-CD2 3.59Å; L506-L510 HydrophobicContact CD1-CD2 3.84Å; L506-L510 HydrophobicContact CG-CD2 4.34Å; L506-W609 PolarHBondContact O-NE1 3.47Å; L506-W609 VanDerWaalsContact O-NE1 3.08Å; L506-F669 WeakPolarHBondContact O-CA 3.2Å; L506-C670 PolarHBondContact N-O 2.59Å; L506-C670 PolarHBondContact O-N 3.47Å; L506-C670 VanDerWaalsContact O-O 3.04Å; L506-M672 HydrophobicContact CD1-CB 4.08Å; L506-M672 HydrophobicContact CD1-CE 4.28Å
507	R	89.7	Confident	77.3	Confident	109 Å²	109	43.6 Å²	43.6	41%	0.411	21%	0.213	S	C	.	.			trans	-80	-173.9	170.9	-69.1	-170.3	179.5	180	-0.2	110.9	D509 L510 W609 T635 S667 K668 F669	R507-D509 PolarHBondContact O-N 3.49Å; R507-L510 WeakPolarHBondContact O-CD2 2.82Å; R507-W609 PolarHBondContact O-NE1 3.23Å; R507-T635 HydrophobicContact CB-CG2 3.64Å; R507-T635 HydrophobicContact CG-CG2 4.43Å; R507-S667 PolarHBondContact NE-O 2.7Å; R507-K668 WeakPolarHBondContact CA-O 3.42Å; R507-F669 HydrophobicContact CG-CD1 3.76Å; R507-F669 HydrophobicContact CG-CE1 3.64Å; R507-F669 HydrophobicContact CG-CG 4.41Å; R507-F669 HydrophobicContact CG-CZ 4.17Å
508	G	85.2	Confident	75.3	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.227	C	C	.	.	S	Bend	trans	-67.1	-11.1	174.8	0	0	0	0	0	115	C629 W632 S634 C666	G508-C629 VanDerWaalsContact CA-SG 3.57Å; G508-C629 VanDerWaalsContact O-CB 3.29Å; G508-C629 WeakPolarHBondContact O-CB 3.46Å; G508-W632 CarbonylContact O-C 3.52Å; G508-W632 WeakPolarHBondContact O-CA 3.38Å; G508-S634 CarbonylContact C-O 3.49Å; G508-S634 WeakPolarHBondContact CA-O 3.27Å; G508-C666 PolarHBondContact N-O 3.15Å
509	D	84.1	Confident	73.9	Confident	40 Å²	40	44 Å²	44	21%	0.214	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-93.2	116.6	166.6	-166.6	-9.4	0	0	0	109	R507 K511 W632 S634 T635	R507-D509 PolarHBondContact O-N 3.49Å; D509-K511 VanDerWaalsContact CG-NZ 3.34Å; D509-K511 WeakPolarHBondContact OD1-CD 3.41Å; D509-K511 VanDerWaalsContact OD1-CE 3.24Å; D509-K511 WeakPolarHBondContact OD1-CE 3.42Å; D509-K511 VanDerWaalsContact OD1-CG 3.25Å; D509-K511 WeakPolarHBondContact OD1-CG 3.44Å; D509-K511 PolarHBondContact OD1-N 3.44Å; D509-K511 IonicContact OD1-NZ 2.72Å; D509-K511 PolarHBondContact OD1-NZ 2.9Å; D509-K511 IonicContact OD2-NZ 3.8Å; D509-K511 PolarHBondContact OD2-NZ 2.89Å; D509-W632 CarbonylContact C-O 3.57Å; D509-W632 VanDerWaalsContact CA-O 3.3Å; D509-W632 WeakPolarHBondContact CA-O 3.45Å; D509-S634 PolarHBondContact N-O 2.93Å; D509-T635 HydrophobicContact CB-CG2 3.5Å
510	L	80.2	Confident	72.3	Confident	3 Å²	3	45.6 Å²	45.6	2%	0.016	23%	0.23	C	C	.	.			trans	-110.2	25.4	-173.9	-55	-179.7	0	0	0	112.7	L506 R507 A519 S523 L544 W632 M672	L506-L510 HydrophobicContact CB-CD2 3.59Å; L506-L510 HydrophobicContact CD1-CD2 3.84Å; L506-L510 HydrophobicContact CG-CD2 4.34Å; R507-L510 WeakPolarHBondContact O-CD2 2.82Å; L510-A519 HydrophobicContact CB-CB 4.35Å; L510-A519 VanDerWaalsContact O-O 3.11Å; L510-S523 WeakPolarHBondContact CB-OG 3.48Å; L510-S523 PolarHBondContact O-OG 2.83Å; L510-L544 HydrophobicContact CD1-CD1 3.5Å; L510-L544 VanDerWaalsContact CD1-CD1 3.5Å; L510-W632 HydrophobicContact CB-CB 4.03Å; L510-W632 HydrophobicContact CD1-CB 3.91Å; L510-W632 HydrophobicContact CD1-CD2 3.62Å; L510-W632 HydrophobicContact CD1-CE3 3.65Å; L510-W632 HydrophobicContact CD1-CG 3.76Å; L510-W632 HydrophobicContact CD1-CZ3 4.39Å; L510-W632 HydrophobicContact CG-CB 3.94Å; L510-W632 HydrophobicContact CG-CD2 4.38Å; L510-W632 HydrophobicContact CG-CE3 4.17Å; L510-W632 HydrophobicContact CG-CG 4.33Å; L510-W632 PolarHBondContact N-O 3.29Å; L510-M672 HydrophobicContact CD1-SD 4.45Å
511	K	67.1	Low	70.7	Confident	40 Å²	40	47.8 Å²	47.8	17%	0.174	25%	0.248	C	C	.	.			trans	-60.6	149.2	160.1	-66.5	160.1	-159.6	142.1	0	109.8	Y246 D509 A519	Y246-K511 WeakPolarHBondContact O-CE 3.21Å; Y246-K511 PolarHBondContact O-NZ 2.81Å; D509-K511 VanDerWaalsContact CG-NZ 3.34Å; D509-K511 WeakPolarHBondContact OD1-CD 3.41Å; D509-K511 VanDerWaalsContact OD1-CE 3.24Å; D509-K511 WeakPolarHBondContact OD1-CE 3.42Å; D509-K511 VanDerWaalsContact OD1-CG 3.25Å; D509-K511 WeakPolarHBondContact OD1-CG 3.44Å; D509-K511 PolarHBondContact OD1-N 3.44Å; D509-K511 IonicContact OD1-NZ 2.72Å; D509-K511 PolarHBondContact OD1-NZ 2.9Å; D509-K511 IonicContact OD2-NZ 3.8Å; D509-K511 PolarHBondContact OD2-NZ 2.89Å; K511-A519 HydrophobicContact CG-CB 4.45Å
512	Y	56.6	Low	69.3	Low	37 Å²	37	47.8 Å²	47.8	15%	0.145	25%	0.248	C	C	.	.	S	Bend	trans	-103	120.2	176.5	-173.4	-104.2	0	0	0	110.3	D514 R515 F525 A526 R529	Y512-D514 PolarHBondContact O-N 2.91Å; Y512-R515 VanDerWaalsContact O-CB 3.27Å; Y512-R515 WeakPolarHBondContact O-CB 3.4Å; Y512-R515 VanDerWaalsContact O-CG 3.28Å; Y512-R515 WeakPolarHBondContact O-CG 3.36Å; Y512-R515 PolarHBondContact O-N 2.85Å; Y512-R515 VanDerWaalsContact O-N 3.16Å; Y512-F525 AromaticContact CD1-CD1 3.5Å; Y512-F525 HydrophobicContact CD1-CD1 3.5Å; Y512-F525 AromaticContact CD1-CE1 3.67Å; Y512-F525 HydrophobicContact CD1-CE1 3.67Å; Y512-F525 AromaticContact CE1-CD1 3.97Å; Y512-F525 HydrophobicContact CE1-CD1 3.97Å; Y512-F525 AromaticContact CE1-CE1 3.74Å; Y512-F525 HydrophobicContact CE1-CE1 3.74Å; Y512-F525 HydrophobicContact CG-CD1 4.19Å; Y512-A526 HydrophobicContact CD2-CB 3.6Å; Y512-A526 HydrophobicContact CE2-CB 4.16Å; Y512-A526 HydrophobicContact CG-CB 4.15Å; Y512-R529 PolarHBondContact OH-NE 2.88Å
513	N	52.2	Low	68.6	Low	89 Å²	89	47.1 Å²	47.1	48%	0.476	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	46.5	177.5	-58.9	1	0	0	0	114.2	R515	N513-R515 PolarHBondContact O-N 2.85Å
514	D	47.2	Very low	67.7	Low	147 Å²	147	46.4 Å²	46.4	79%	0.786	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	21.1	-179.5	-54.7	-41	0	0	0	115.1	Y512	Y512-D514 PolarHBondContact O-N 2.91Å
515	R	44.5	Very low	66.9	Low	70 Å²	70	42.9 Å²	42.9	26%	0.264	22%	0.224	S	C	.	.			trans	-75.2	147.6	-179.1	-66.2	175.7	172.3	-168.3	-4.6	111.7	D59 Y512 N513 T517 F525	D59-R515 IonicContact OD1-CZ 2.59Å; D59-R515 VanDerWaalsContact OD1-CZ 3.26Å; D59-R515 IonicContact OD1-NH1 3.55Å; D59-R515 PolarHBondContact OD1-NH1 3.43Å; D59-R515 IonicContact OD1-NH2 3.26Å; D59-R515 PolarHBondContact OD1-NH2 3.47Å; D59-R515 IonicContact OD2-NH2 3.72Å; D59-R515 PolarHBondContact OD2-NH2 2.91Å; Y512-R515 VanDerWaalsContact O-CB 3.27Å; Y512-R515 WeakPolarHBondContact O-CB 3.4Å; Y512-R515 VanDerWaalsContact O-CG 3.28Å; Y512-R515 WeakPolarHBondContact O-CG 3.36Å; Y512-R515 PolarHBondContact O-N 2.85Å; Y512-R515 VanDerWaalsContact O-N 3.16Å; N513-R515 PolarHBondContact O-N 2.85Å; R515-T517 PolarHBondContact O-N 3.43Å; R515-F525 VanDerWaalsContact NH1-CE1 3.25Å
516	I	42.9	Very low	66.3	Low	93 Å²	93	41.3 Å²	41.3	48%	0.477	22%	0.215	S	C	.	.	S	Bend	trans	-65.9	-10.3	-172.3	-40	-168.7	0	0	0	113.4	G518	I516-G518 PolarHBondContact O-N 3.26Å
517	T	47.5	Very low	66.1	Low	32 Å²	32	39.8 Å²	39.8	20%	0.196	21%	0.207	C	C	.	.	S	Bend	trans	-67.3	124	175	49.9	0	0	0	0	110.9	F60 R515	F60-T517 HydrophobicContact CD1-CG2 4.35Å; F60-T517 HydrophobicContact CG-CG2 4.33Å; R515-T517 PolarHBondContact O-N 3.43Å
518	G	49.6	Very low	65.6	Low	29 Å²	29	35.4 Å²	35.4	30%	0.299	19%	0.191	S	C	.	.			trans	-51.7	147.5	176.8	0	0	0	0	0	112.6	I516 H520 A521 G522	I516-G518 PolarHBondContact O-N 3.26Å; G518-H520 VanDerWaalsContact C-N 3.26Å; G518-H520 PolarHBondContact O-N 3Å; G518-A521 WeakPolarHBondContact O-CA 3.24Å; G518-A521 WeakPolarHBondContact O-CB 3.25Å; G518-A521 PolarHBondContact O-N 2.71Å; G518-G522 PolarHBondContact O-N 3.19Å
519	A	65.4	Low	65.3	Low	0 Å²	0	39 Å²	39	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-54	-32.3	-160.2	0	0	0	0	0	116.2	L510 K511 G522 S523 W632 Q633	L510-A519 HydrophobicContact CB-CB 4.35Å; L510-A519 VanDerWaalsContact O-O 3.11Å; K511-A519 HydrophobicContact CG-CB 4.45Å; A519-G522 PolarHBondContact O-N 3.1Å; A519-S523 VanDerWaalsContact O-CB 3.26Å; A519-S523 WeakPolarHBondContact O-CB 3.13Å; A519-S523 PolarHBondContact O-N 3.01Å; A519-S523 PolarHBondContact O-OG 3.47Å; A519-W632 HydrophobicContact CB-CB 3.79Å; A519-W632 WeakPolarHBondContact CB-O 3.39Å; A519-Q633 HydrophobicContact CB-CG 3.97Å
520	H	64.6	Low	65.4	Low	33 Å²	33	37.7 Å²	37.7	15%	0.153	20%	0.199	C	C	.	.	H	α-helix	trans	-63.4	-43.7	172.9	-177.9	-126	0	0	0	112.6	G518 S523 I524 T546 F549	G518-H520 VanDerWaalsContact C-N 3.26Å; G518-H520 PolarHBondContact O-N 3Å; H520-S523 WeakPolarHBondContact O-CB 3.38Å; H520-S523 PolarHBondContact O-N 2.82Å; H520-I524 WeakPolarHBondContact O-CG1 3.29Å; H520-I524 PolarHBondContact O-N 2.87Å; H520-T546 HydrophobicContact CB-CG2 4.03Å; H520-F549 AromaticContact CE1-CD2 3.29Å; H520-F549 WeakPolarHBondContact CE1-CD2 2.86Å; H520-F549 AromaticContact CE1-CE2 3.59Å; H520-F549 AromaticContact ND1-CD2 3.6Å; H520-F549 AromaticContact ND1-CE2 3.65Å; H520-F549 AromaticContact NE2-CD2 3.99Å
521	A	62	Low	65.6	Low	46 Å²	46	37.5 Å²	37.5	38%	0.38	20%	0.199	S	C	.	.	H	α-helix	trans	-70	-36.7	175.5	0	0	0	0	0	111.8	G518 S523 I524 F525	G518-A521 WeakPolarHBondContact O-CA 3.24Å; G518-A521 WeakPolarHBondContact O-CB 3.25Å; G518-A521 PolarHBondContact O-N 2.71Å; A521-S523 VanDerWaalsContact C-N 3.33Å; A521-S523 PolarHBondContact O-N 2.87Å; A521-I524 PolarHBondContact O-N 2.92Å; A521-F525 WeakPolarHBondContact O-CB 3.34Å; A521-F525 PolarHBondContact O-N 3.19Å
522	G	66.6	Low	66.2	Low	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-58.4	-43.9	169.2	0	0	0	0	0	112.3	G518 A519 F525 A526	G518-G522 PolarHBondContact O-N 3.19Å; A519-G522 PolarHBondContact O-N 3.1Å; G522-F525 PolarHBondContact O-N 2.88Å; G522-A526 WeakPolarHBondContact O-CB 3.43Å; G522-A526 PolarHBondContact O-N 2.88Å
523	S	78.1	Confident	67.4	Low	1 Å²	1	41.4 Å²	41.4	1%	0.007	22%	0.223	C	C	.	.	H	α-helix	trans	-65.4	-41.4	177.2	-64.9	0	0	0	0	113.1	L510 A519 H520 A521 A526 C527	L510-S523 WeakPolarHBondContact CB-OG 3.48Å; L510-S523 PolarHBondContact O-OG 2.83Å; A519-S523 VanDerWaalsContact O-CB 3.26Å; A519-S523 WeakPolarHBondContact O-CB 3.13Å; A519-S523 PolarHBondContact O-N 3.01Å; A519-S523 PolarHBondContact O-OG 3.47Å; H520-S523 WeakPolarHBondContact O-CB 3.38Å; H520-S523 PolarHBondContact O-N 2.82Å; A521-S523 VanDerWaalsContact C-N 3.33Å; A521-S523 PolarHBondContact O-N 2.87Å; S523-A526 PolarHBondContact O-N 3.09Å; S523-C527 PolarHBondContact O-N 3.05Å; S523-C527 PolarHBondContact O-SG 2.71Å
524	I	71.9	Confident	68.9	Low	29 Å²	29	39.2 Å²	39.2	15%	0.149	21%	0.209	C	C	.	.	H	α-helix	trans	-60.6	-50.3	171.8	-67.3	162.2	0	0	0	110.3	H520 A521 A526 C527 Q528 Y541 P542	H520-I524 WeakPolarHBondContact O-CG1 3.29Å; H520-I524 PolarHBondContact O-N 2.87Å; A521-I524 PolarHBondContact O-N 2.92Å; I524-A526 VanDerWaalsContact C-N 3.33Å; I524-A526 PolarHBondContact O-N 2.88Å; I524-C527 PolarHBondContact O-N 2.83Å; I524-Q528 VanDerWaalsContact O-CB 3.27Å; I524-Q528 WeakPolarHBondContact O-CB 3.41Å; I524-Q528 PolarHBondContact O-N 2.83Å; I524-Y541 HydrophobicContact CD1-CD1 3.98Å; I524-Y541 HydrophobicContact CD1-CE1 3.59Å; I524-Y541 HydrophobicContact CG1-CD1 3.83Å; I524-Y541 HydrophobicContact CG1-CE1 3.9Å; I524-Y541 HydrophobicContact CG2-CE1 4.49Å; I524-P542 VanDerWaalsContact CG1-CD 3.45Å; I524-P542 HydrophobicContact CG1-CG 3.94Å
525	F	69.3	Low	70.6	Confident	29 Å²	29	34.8 Å²	34.8	13%	0.127	20%	0.198	C	C	.	.	H	α-helix	trans	-58.9	-43.8	178.7	-174.8	-96.5	0	0	0	111.7	D59 Y512 R515 A521 G522 Q528 R529	D59-F525 VanDerWaalsContact OD1-CZ 3.32Å; D59-F525 WeakPolarHBondContact OD1-CZ 3.39Å; Y512-F525 AromaticContact CD1-CD1 3.5Å; Y512-F525 HydrophobicContact CD1-CD1 3.5Å; Y512-F525 AromaticContact CD1-CE1 3.67Å; Y512-F525 HydrophobicContact CD1-CE1 3.67Å; Y512-F525 AromaticContact CE1-CD1 3.97Å; Y512-F525 HydrophobicContact CE1-CD1 3.97Å; Y512-F525 AromaticContact CE1-CE1 3.74Å; Y512-F525 HydrophobicContact CE1-CE1 3.74Å; Y512-F525 HydrophobicContact CG-CD1 4.19Å; R515-F525 VanDerWaalsContact NH1-CE1 3.25Å; A521-F525 WeakPolarHBondContact O-CB 3.34Å; A521-F525 PolarHBondContact O-N 3.19Å; G522-F525 PolarHBondContact O-N 2.88Å; F525-Q528 PolarHBondContact O-N 2.9Å; F525-R529 WeakPolarHBondContact O-CB 3.3Å; F525-R529 PolarHBondContact O-N 2.86Å
526	A	78.1	Confident	72.3	Confident	9 Å²	9	32.1 Å²	32.1	7%	0.074	19%	0.189	C	C	.	.	H	α-helix	trans	-60.4	-48.5	176.5	0	0	0	0	0	112.5	Q502 Y512 G522 S523 I524 A530 M672	Q502-A526 PolarHBondContact NE2-O 3.14Å; Y512-A526 HydrophobicContact CD2-CB 3.6Å; Y512-A526 HydrophobicContact CE2-CB 4.16Å; Y512-A526 HydrophobicContact CG-CB 4.15Å; G522-A526 WeakPolarHBondContact O-CB 3.43Å; G522-A526 PolarHBondContact O-N 2.88Å; S523-A526 PolarHBondContact O-N 3.09Å; I524-A526 VanDerWaalsContact C-N 3.33Å; I524-A526 PolarHBondContact O-N 2.88Å; A526-A530 WeakPolarHBondContact O-CB 3.42Å; A526-A530 PolarHBondContact O-N 3.07Å; A526-A530 VanDerWaalsContact O-N 3.1Å; A526-M672 HydrophobicContact CB-CE 4.3Å
527	C	85.6	Confident	73.5	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.6	-45.4	178.5	-77.3	0	0	0	0	112.3	S523 I524 A531 F540 C674	S523-C527 PolarHBondContact O-N 3.05Å; S523-C527 PolarHBondContact O-SG 2.71Å; I524-C527 PolarHBondContact O-N 2.83Å; C527-A531 WeakPolarHBondContact O-CB 3.44Å; C527-A531 PolarHBondContact O-N 2.81Å; C527-A531 VanDerWaalsContact O-N 3.07Å; C527-F540 HydrophobicContact CB-CB 4.44Å; C527-C674 WeakPolarHBondContact CA-SG 3.2Å; C527-C674 HydrophobicContact CB-CB 3.6Å; C527-C674 WeakPolarHBondContact CB-SG 3.38Å; C527-C674 VanDerWaalsContact SG-CA 3.55Å; C527-C674 WeakPolarHBondContact SG-CB 3.29Å; C527-C674 CovalentContact SG-SG 2.03Å; C527-C674 PolarHBondContact SG-SG 3.38Å
528	Q	78.6	Confident	74.3	Confident	17 Å²	17	32.8 Å²	32.8	8%	0.079	19%	0.19	C	C	.	.	H	α-helix	trans	-72.8	-36.6	-176.4	-177.9	57.7	84.5	0	0	112.5	A56 I524 F525 N532 G537	A56-Q528 HydrophobicContact CB-CG 3.4Å; A56-Q528 VanDerWaalsContact CB-CG 3.4Å; I524-Q528 VanDerWaalsContact O-CB 3.27Å; I524-Q528 WeakPolarHBondContact O-CB 3.41Å; I524-Q528 PolarHBondContact O-N 2.83Å; F525-Q528 PolarHBondContact O-N 2.9Å; Q528-N532 PolarHBondContact NE2-OD1 3.44Å; Q528-N532 VanDerWaalsContact NE2-OD1 3.14Å; Q528-N532 WeakPolarHBondContact O-CB 3.08Å; Q528-N532 PolarHBondContact O-N 3.23Å; Q528-G537 PolarHBondContact NE2-O 2.94Å
529	R	79.9	Confident	75.5	Confident	75 Å²	75	32.4 Å²	32.4	28%	0.283	18%	0.184	S	C	.	.	H	α-helix	trans	-63.3	-45.8	172.8	-177.9	176.4	177.5	113.7	-4.2	111.4	D59 Y512 F525 N532 L533	D59-R529 IonicContact OD1-NH1 2.67Å; D59-R529 PolarHBondContact OD1-NH1 2.79Å; D59-R529 IonicContact OD2-NH1 2.63Å; Y512-R529 PolarHBondContact OH-NE 2.88Å; F525-R529 WeakPolarHBondContact O-CB 3.3Å; F525-R529 PolarHBondContact O-N 2.86Å; R529-N532 PolarHBondContact O-N 2.6Å; R529-L533 HydrophobicContact CG-CD1 4.25Å; R529-L533 WeakPolarHBondContact O-CG 3.26Å; R529-L533 PolarHBondContact O-N 3.12Å
530	A	85.7	Confident	76.4	Confident	12 Å²	12	32.4 Å²	32.4	10%	0.099	18%	0.184	C	C	.	.	H	α-helix	trans	-63.3	-42	178.3	0	0	0	0	0	112.3	A526 L533 K534 F594	A526-A530 WeakPolarHBondContact O-CB 3.42Å; A526-A530 PolarHBondContact O-N 3.07Å; A526-A530 VanDerWaalsContact O-N 3.1Å; A530-L533 PolarHBondContact O-N 2.97Å; A530-K534 WeakPolarHBondContact O-CG 3.34Å; A530-K534 PolarHBondContact O-N 3.33Å; A530-F594 HydrophobicContact CB-CB 4.48Å; A530-F594 HydrophobicContact CB-CD1 4.14Å; A530-F594 HydrophobicContact CB-CD2 3.48Å; A530-F594 VanDerWaalsContact CB-CD2 3.48Å; A530-F594 HydrophobicContact CB-CE1 4.22Å; A530-F594 HydrophobicContact CB-CE2 3.57Å; A530-F594 HydrophobicContact CB-CG 3.78Å; A530-F594 HydrophobicContact CB-CZ 3.94Å
531	A	84.6	Confident	77.3	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-65.5	-38.8	175.4	0	0	0	0	0	113.6	C527 K534 G535 L536 F540 F594	C527-A531 WeakPolarHBondContact O-CB 3.44Å; C527-A531 PolarHBondContact O-N 2.81Å; C527-A531 VanDerWaalsContact O-N 3.07Å; A531-K534 CarbonylContact O-C 3.57Å; A531-K534 PolarHBondContact O-N 2.63Å; A531-G535 PolarHBondContact O-N 3Å; A531-L536 PolarHBondContact O-N 2.89Å; A531-L536 VanDerWaalsContact O-N 3.14Å; A531-F540 HydrophobicContact CB-CB 3.92Å; A531-F540 HydrophobicContact CB-CD1 3.8Å; A531-F540 HydrophobicContact CB-CD2 3.3Å; A531-F540 HydrophobicContact CB-CE1 4.05Å; A531-F540 HydrophobicContact CB-CE2 3.59Å; A531-F540 HydrophobicContact CB-CG 3.39Å; A531-F540 HydrophobicContact CB-CZ 3.94Å; A531-F594 HydrophobicContact CB-CE1 3.88Å; A531-F594 HydrophobicContact CB-CZ 4.33Å
532	N	79	Confident	78.6	Confident	45 Å²	45	31.8 Å²	31.8	24%	0.241	17%	0.171	C	C	.	.	H	α-helix	trans	-62.4	-45.2	174	-81.8	-10.4	0	0	0	111.7	A56 Q528 R529 K534 G535 G537	A56-N532 VanDerWaalsContact CB-ND2 3.34Å; A56-N532 WeakPolarHBondContact CB-ND2 3.41Å; Q528-N532 PolarHBondContact NE2-OD1 3.44Å; Q528-N532 VanDerWaalsContact NE2-OD1 3.14Å; Q528-N532 WeakPolarHBondContact O-CB 3.08Å; Q528-N532 PolarHBondContact O-N 3.23Å; R529-N532 PolarHBondContact O-N 2.6Å; N532-K534 PolarHBondContact O-N 2.64Å; N532-K534 VanDerWaalsContact O-N 3.13Å; N532-G535 PolarHBondContact O-N 2.79Å; N532-G537 PolarHBondContact OD1-O 3.09Å
533	L	81.2	Confident	79.8	Confident	114 Å²	114	31.8 Å²	31.8	60%	0.597	17%	0.171	S	C	*	.	H	α-helix	trans	-62.7	-17.5	177.3	-71.2	169.7	0	0	0	113.6	R529 A530	R529-L533 HydrophobicContact CG-CD1 4.25Å; R529-L533 WeakPolarHBondContact O-CG 3.26Å; R529-L533 PolarHBondContact O-N 3.12Å; A530-L533 PolarHBondContact O-N 2.97Å
534	K	85	Confident	80.3	Confident	43 Å²	43	31.8 Å²	31.8	19%	0.187	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	5.1	173.7	-58.6	-64	165.9	146.2	0	113.5	Y489 A530 A531 N532 L536 F594 D595	Y489-K534 WeakPolarHBondContact CE2-O 3.5Å; Y489-K534 PolarHBondContact OH-O 3.31Å; Y489-K534 VanDerWaalsContact OH-O 3.07Å; A530-K534 WeakPolarHBondContact O-CG 3.34Å; A530-K534 PolarHBondContact O-N 3.33Å; A531-K534 CarbonylContact O-C 3.57Å; A531-K534 PolarHBondContact O-N 2.63Å; N532-K534 PolarHBondContact O-N 2.64Å; N532-K534 VanDerWaalsContact O-N 3.13Å; K534-L536 HydrophobicContact CB-CD1 4.32Å; K534-L536 HydrophobicContact CB-CG 4.19Å; K534-L536 PolarHBondContact O-N 2.8Å; K534-F594 VanDerWaalsContact CD-O 3.23Å; K534-F594 WeakPolarHBondContact CD-O 3.27Å; K534-F594 WeakPolarHBondContact CE-O 3.26Å; K534-F594 HydrophobicContact CG-CB 4.08Å; K534-F594 HydrophobicContact CG-CD1 4.1Å; K534-F594 PolarHBondContact NZ-O 3.39Å; K534-D595 WeakPolarHBondContact CE-OD1 3.44Å; K534-D595 IonicContact NZ-OD1 2.69Å; K534-D595 PolarHBondContact NZ-OD1 2.76Å
535	G	82.3	Confident	81	Confident	53 Å²	53	30.5 Å²	30.5	55%	0.546	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	71	7.9	177	0	0	0	0	0	115.4	A531 N532 G537	A531-G535 PolarHBondContact O-N 3Å; N532-G535 PolarHBondContact O-N 2.79Å; G535-G537 VanDerWaalsContact C-N 3.26Å; G535-G537 PolarHBondContact O-N 3.27Å
536	L	81	Confident	81.3	Confident	14 Å²	14	29.2 Å²	29.2	7%	0.073	16%	0.159	C	C	.	.			trans	-70	-26.3	-178.9	-60	174.2	0	0	0	112.2	Y489 Y498 I500 A531 K534 F540 L568 F594	Y489-L536 HydrophobicContact CD2-CD2 4.17Å; Y489-L536 HydrophobicContact CE2-CD2 4.21Å; Y489-L536 HydrophobicContact CG-CD2 4.32Å; Y498-L536 HydrophobicContact CD2-CD2 4.47Å; Y498-L536 HydrophobicContact CE1-CD2 4.29Å; Y498-L536 HydrophobicContact CE2-CD2 4.21Å; I500-L536 HydrophobicContact CD1-CD1 3.35Å; A531-L536 PolarHBondContact O-N 2.89Å; A531-L536 VanDerWaalsContact O-N 3.14Å; K534-L536 HydrophobicContact CB-CD1 4.32Å; K534-L536 HydrophobicContact CB-CG 4.19Å; K534-L536 PolarHBondContact O-N 2.8Å; L536-F540 HydrophobicContact CB-CE2 3.87Å; L536-F540 HydrophobicContact CB-CZ 3.9Å; L536-F540 HydrophobicContact CD1-CE1 4.41Å; L536-F540 HydrophobicContact CD1-CZ 3.81Å; L536-L568 HydrophobicContact CD1-CD1 3.94Å; L536-L568 HydrophobicContact CD2-CD1 4.43Å; L536-F594 HydrophobicContact CD1-CD1 4.47Å; L536-F594 HydrophobicContact CD1-CE1 4.27Å
537	G	68.7	Low	80.7	Confident	25 Å²	25	29.2 Å²	29.2	26%	0.258	16%	0.158	S	C	.	.			trans	100.5	-155.3	173.3	0	0	0	0	0	114	Q528 N532 G535	Q528-G537 PolarHBondContact NE2-O 2.94Å; N532-G537 PolarHBondContact OD1-O 3.09Å; G535-G537 VanDerWaalsContact C-N 3.26Å; G535-G537 PolarHBondContact O-N 3.27Å
538	R	63.6	Low	79.5	Confident	114 Å²	114	31.2 Å²	31.2	43%	0.43	17%	0.168	S	C	.	.	S	Bend	trans	-83.7	174.9	-171.5	-67.7	-176.3	171.4	-158	-2.5	113	D52 Q676	D52-R538 IonicContact OD1-NH1 3.2Å; D52-R538 IonicContact OD2-CZ 3.89Å; D52-R538 IonicContact OD2-NH1 2.69Å; D52-R538 PolarHBondContact OD2-NH1 3Å; D52-R538 IonicContact OD2-NH2 2.7Å; R538-Q676 PolarHBondContact O-NE2 3.09Å
539	A	74.4	Confident	78.9	Confident	21 Å²	21	32.5 Å²	32.5	17%	0.174	17%	0.173	C	C	.	.			trans	67.8	43	175.3	0	0	0	0	0	114.6	Q676 I677 T678	A539-Q676 CarbonylContact O-C 3.55Å; A539-Q676 VanDerWaalsContact O-CA 3.29Å; A539-Q676 WeakPolarHBondContact O-CA 3.45Å; A539-I677 HydrophobicContact CB-CG1 3.79Å; A539-I677 WeakPolarHBondContact O-CG1 3.38Å; A539-I677 PolarHBondContact O-N 3Å; A539-T678 VanDerWaalsContact CB-OG1 3.26Å; A539-T678 WeakPolarHBondContact CB-OG1 3.38Å
540	F	83.7	Confident	78.6	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	126.6	168.7	-83.5	-105.4	0	0	0	111.8	Y498 I500 C527 A531 L536 F594 C674 I675 Q676	Y498-F540 HydrophobicContact CD2-CZ 4.34Å; Y498-F540 HydrophobicContact CG-CZ 4.31Å; I500-F540 HydrophobicContact CD1-CE1 4.32Å; C527-F540 HydrophobicContact CB-CB 4.44Å; A531-F540 HydrophobicContact CB-CB 3.92Å; A531-F540 HydrophobicContact CB-CD1 3.8Å; A531-F540 HydrophobicContact CB-CD2 3.3Å; A531-F540 HydrophobicContact CB-CE1 4.05Å; A531-F540 HydrophobicContact CB-CE2 3.59Å; A531-F540 HydrophobicContact CB-CG 3.39Å; A531-F540 HydrophobicContact CB-CZ 3.94Å; L536-F540 HydrophobicContact CB-CE2 3.87Å; L536-F540 HydrophobicContact CB-CZ 3.9Å; L536-F540 HydrophobicContact CD1-CE1 4.41Å; L536-F540 HydrophobicContact CD1-CZ 3.81Å; F540-F594 HydrophobicContact CD1-CE1 4.48Å; F540-F594 HydrophobicContact CD1-CZ 4.27Å; F540-F594 HydrophobicContact CE1-CE1 4.27Å; F540-F594 HydrophobicContact CE1-CZ 4.41Å; F540-C674 HydrophobicContact CD1-CB 4.42Å; F540-I675 CarbonylContact C-O 3.55Å; F540-I675 WeakPolarHBondContact CA-O 3.44Å; F540-Q676 HydrophobicContact CD1-CB 4.41Å; F540-Q676 HydrophobicContact CD2-CB 4.21Å; F540-Q676 HydrophobicContact CD2-CG 3.98Å; F540-Q676 HydrophobicContact CE1-CB 4.12Å; F540-Q676 HydrophobicContact CE2-CB 3.9Å; F540-Q676 HydrophobicContact CE2-CG 3.73Å; F540-Q676 HydrophobicContact CG-CB 4.47Å; F540-Q676 HydrophobicContact CZ-CB 3.87Å; F540-Q676 HydrophobicContact CZ-CG 4.2Å
541	Y	83.6	Confident	78.5	Confident	65 Å²	65	29.6 Å²	29.6	26%	0.255	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	156.2	-179.3	-90.5	-109.7	0	0	0	111.6	I524 C674 I675 I677	I524-Y541 HydrophobicContact CD1-CD1 3.98Å; I524-Y541 HydrophobicContact CD1-CE1 3.59Å; I524-Y541 HydrophobicContact CG1-CD1 3.83Å; I524-Y541 HydrophobicContact CG1-CE1 3.9Å; I524-Y541 HydrophobicContact CG2-CE1 4.49Å; Y541-C674 CarbonylContact O-C 3.58Å; Y541-C674 WeakPolarHBondContact O-CA 3.41Å; Y541-I675 PolarHBondContact N-O 2.94Å; Y541-I675 PolarHBondContact O-N 3.3Å; Y541-I677 HydrophobicContact CD2-CD1 3.74Å; Y541-I677 HydrophobicContact CD2-CG1 4.14Å; Y541-I677 HydrophobicContact CD2-CG2 4.1Å; Y541-I677 HydrophobicContact CE2-CD1 3.75Å; Y541-I677 HydrophobicContact CG-CG2 4.18Å
542	P	89.1	Confident	78.3	Confident	1 Å²	1	31 Å²	31	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	134.3	173.8	33.8	-34.8	0	0	0	110	I524 L544 M672	I524-P542 VanDerWaalsContact CG1-CD 3.45Å; I524-P542 HydrophobicContact CG1-CG 3.94Å; P542-L544 HydrophobicContact CB-CD1 4.09Å; P542-L544 HydrophobicContact CB-CG 4.16Å; P542-L544 PolarHBondContact O-N 2.67Å; P542-M672 HydrophobicContact CB-CE 4.29Å; P542-M672 HydrophobicContact CB-CG 4.25Å; P542-M672 HydrophobicContact CB-SD 3.52Å; P542-M672 VanDerWaalsContact CB-SD 3.52Å
543	L	92.7	Very high	78	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.186	C	C	.	.			trans	-86	69.3	177.3	-170.3	62.7	0	0	0	109.6	L499 M551 F577 L580 F656 L673 I675	L499-L543 HydrophobicContact CD1-CD2 3.8Å; L543-M551 HydrophobicContact CD1-CG 3.43Å; L543-M551 VanDerWaalsContact CD1-CG 3.43Å; L543-M551 HydrophobicContact CD1-SD 4.2Å; L543-M551 HydrophobicContact CG-CG 3.73Å; L543-M551 HydrophobicContact CG-SD 3.89Å; L543-F577 HydrophobicContact CD1-CE2 3.66Å; L543-F577 HydrophobicContact CD1-CZ 4.12Å; L543-L580 HydrophobicContact CD2-CD2 3.89Å; L543-F656 HydrophobicContact CD2-CE2 3.86Å; L543-F656 HydrophobicContact CD2-CZ 3.83Å; L543-F656 HydrophobicContact CG-CE2 4.32Å; L543-F656 HydrophobicContact CG-CZ 4.42Å; L543-L673 HydrophobicContact CB-CB 4Å; L543-L673 HydrophobicContact CD2-CB 4.34Å; L543-L673 HydrophobicContact CD2-CD1 4.22Å; L543-L673 PolarHBondContact N-O 3.21Å; L543-I675 HydrophobicContact CB-CG2 4.36Å; L543-I675 HydrophobicContact CD1-CG2 4.21Å
544	L	88.8	Confident	77.9	Confident	2 Å²	2	32 Å²	32	1%	0.01	17%	0.165	C	C	.	.			trans	-128.2	147.8	-176.6	-64.5	176.7	0	0	0	111.4	L510 P542 M551 W609 W632 M672	L510-L544 HydrophobicContact CD1-CD1 3.5Å; L510-L544 VanDerWaalsContact CD1-CD1 3.5Å; P542-L544 HydrophobicContact CB-CD1 4.09Å; P542-L544 HydrophobicContact CB-CG 4.16Å; P542-L544 PolarHBondContact O-N 2.67Å; L544-M551 PolarHBondContact O-N 3.48Å; L544-W609 HydrophobicContact CD2-CB 4Å; L544-W609 WeakPolarHBondContact CD2-O 3.43Å; L544-W632 HydrophobicContact CD2-CZ2 4.04Å; L544-M672 HydrophobicContact CD1-CG 4.31Å; L544-M672 HydrophobicContact CD1-SD 3.62Å; L544-M672 HydrophobicContact CD2-CG 4.47Å; L544-M672 HydrophobicContact CG-CG 4.33Å; L544-M672 HydrophobicContact CG-SD 4.22Å
545	S	85.8	Confident	77.7	Confident	2 Å²	2	30 Å²	30	1%	0.014	16%	0.156	C	C	.	.			trans	-87	132.8	156	-58	0	0	0	0	109	F549 M551 I610 W632	S545-F549 WeakPolarHBondContact CA-O 3.07Å; S545-M551 WeakPolarHBondContact OG-CB 3.36Å; S545-M551 PolarHBondContact OG-N 3.46Å; S545-I610 PolarHBondContact N-O 3.06Å; S545-W632 PolarHBondContact O-NE1 2.91Å
546	T	75.6	Confident	77.2	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.006	14%	0.143	C	C	.	.			trans	-110.1	-168.5	172.6	60	0	0	0	0	109	H520 M548 F549 K628 N631	H520-T546 HydrophobicContact CB-CG2 4.03Å; T546-M548 PolarHBondContact OG1-N 3.07Å; T546-M548 VanDerWaalsContact OG1-N 3.14Å; T546-F549 PolarHBondContact N-O 3.34Å; T546-F549 PolarHBondContact OG1-N 2.74Å; T546-F549 PolarHBondContact OG1-O 3.28Å; T546-F549 VanDerWaalsContact OG1-O 3.07Å; T546-K628 VanDerWaalsContact C-CD 3.46Å; T546-K628 VanDerWaalsContact C-NZ 3.34Å; T546-K628 VanDerWaalsContact O-CD 3.3Å; T546-K628 WeakPolarHBondContact O-CD 3.45Å; T546-K628 PolarHBondContact O-NZ 3.47Å; T546-N631 WeakPolarHBondContact CB-OD1 3.49Å
547	D	66	Low	76.8	Confident	10 Å²	10	32.7 Å²	32.7	5%	0.053	17%	0.165	C	C	.	.	S	Bend	trans	-63.4	-28.7	164.2	-80.6	10.3	0	0	0	113.7	A252 K628 N631	A252-D547 HydrophobicContact CB-CB 3.32Å; A252-D547 VanDerWaalsContact CB-CG 3.46Å; D547-K628 VanDerWaalsContact CA-NZ 3.28Å; D547-K628 IonicContact OD1-NZ 3.87Å; D547-K628 PolarHBondContact OD1-NZ 3.34Å; D547-N631 HydrophobicContact CB-CB 4.22Å; D547-N631 VanDerWaalsContact CG-CB 3.49Å; D547-N631 PolarHBondContact N-OD1 2.97Å; D547-N631 VanDerWaalsContact OD2-CB 3.29Å; D547-N631 WeakPolarHBondContact OD2-CB 3.43Å
548	M	60	Low	77.1	Confident	42 Å²	42	36.8 Å²	36.8	21%	0.207	19%	0.185	C	C	.	.	S	Bend	trans	-123.3	-19	-159.9	-39.6	-155.5	69.3	0	0	113.5	A252 F255 Y257 T546	A252-M548 WeakPolarHBondContact O-CE 3.28Å; F255-M548 HydrophobicContact CB-CE 3.59Å; F255-M548 HydrophobicContact CB-SD 4.21Å; F255-M548 HydrophobicContact CD2-CE 4.37Å; F255-M548 HydrophobicContact CD2-SD 4.05Å; F255-M548 WeakPolarHBondContact O-CE 3.44Å; Y257-M548 HydrophobicContact CD2-CB 3.96Å; Y257-M548 HydrophobicContact CD2-CE 4.04Å; Y257-M548 HydrophobicContact CD2-SD 4.39Å; Y257-M548 HydrophobicContact CE2-CB 3.91Å; Y257-M548 HydrophobicContact CE2-CE 3.8Å; Y257-M548 HydrophobicContact CE2-CG 4.41Å; Y257-M548 HydrophobicContact CE2-SD 3.67Å; T546-M548 PolarHBondContact OG1-N 3.07Å; T546-M548 VanDerWaalsContact OG1-N 3.14Å
549	F	65.8	Low	78.1	Confident	44 Å²	44	33.8 Å²	33.8	19%	0.193	17%	0.174	C	C	.	.			trans	-135.1	124.8	-178.5	-54.2	-77.8	0	0	0	108.5	Y45 Y257 H520 S545 T546	Y45-F549 HydrophobicContact CE1-CZ 4.01Å; Y257-F549 HydrophobicContact CD1-CZ 4.26Å; Y257-F549 AromaticContact CD2-CE1 3.89Å; Y257-F549 HydrophobicContact CD2-CE1 3.89Å; Y257-F549 AromaticContact CD2-CE2 3.93Å; Y257-F549 HydrophobicContact CD2-CE2 3.93Å; Y257-F549 AromaticContact CD2-CZ 3.35Å; Y257-F549 HydrophobicContact CD2-CZ 3.35Å; Y257-F549 HydrophobicContact CE1-CZ 4.29Å; Y257-F549 HydrophobicContact CE2-CE1 4.35Å; Y257-F549 AromaticContact CE2-CE2 3.6Å; Y257-F549 HydrophobicContact CE2-CE2 3.6Å; Y257-F549 AromaticContact CE2-CZ 3.38Å; Y257-F549 HydrophobicContact CE2-CZ 3.38Å; Y257-F549 HydrophobicContact CG-CE1 4.13Å; Y257-F549 AromaticContact CG-CZ 3.83Å; Y257-F549 HydrophobicContact CG-CZ 3.83Å; Y257-F549 AromaticContact CZ-CZ 3.88Å; H520-F549 AromaticContact CE1-CD2 3.29Å; H520-F549 WeakPolarHBondContact CE1-CD2 2.86Å; H520-F549 AromaticContact CE1-CE2 3.59Å; H520-F549 AromaticContact ND1-CD2 3.6Å; H520-F549 AromaticContact ND1-CE2 3.65Å; H520-F549 AromaticContact NE2-CD2 3.99Å; S545-F549 WeakPolarHBondContact CA-O 3.07Å; T546-F549 PolarHBondContact N-O 3.34Å; T546-F549 PolarHBondContact OG1-N 2.74Å; T546-F549 PolarHBondContact OG1-O 3.28Å; T546-F549 VanDerWaalsContact OG1-O 3.07Å
550	N	73.4	Confident	78.6	Confident	15 Å²	15	34.6 Å²	34.6	8%	0.08	17%	0.173	C	C	.	.			trans	-87.2	142	174	-58.1	-1.9	0	0	0	109.5	D552 Y553 K613 P614	N550-D552 PolarHBondContact O-N 3.2Å; N550-D552 VanDerWaalsContact O-N 3.12Å; N550-Y553 HydrophobicContact CB-CD2 3.88Å; N550-Y553 HydrophobicContact CB-CE2 4.2Å; N550-Y553 PolarHBondContact O-N 2.99Å; N550-K613 HydrophobicContact CB-CB 4.5Å; N550-P614 VanDerWaalsContact OD1-CD 3.25Å; N550-P614 WeakPolarHBondContact OD1-CD 3.25Å; N550-P614 WeakPolarHBondContact OD1-CG 3.32Å
551	M	84.9	Confident	78.8	Confident	11 Å²	11	41.2 Å²	41.2	5%	0.054	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-47.5	-41.8	175	-171.9	178.5	68	0	0	112.3	L543 L544 S545 Y553 V554 F577 I610 F656	L543-M551 HydrophobicContact CD1-CG 3.43Å; L543-M551 VanDerWaalsContact CD1-CG 3.43Å; L543-M551 HydrophobicContact CD1-SD 4.2Å; L543-M551 HydrophobicContact CG-CG 3.73Å; L543-M551 HydrophobicContact CG-SD 3.89Å; L544-M551 PolarHBondContact O-N 3.48Å; S545-M551 WeakPolarHBondContact OG-CB 3.36Å; S545-M551 PolarHBondContact OG-N 3.46Å; M551-Y553 PolarHBondContact O-N 2.85Å; M551-V554 WeakPolarHBondContact O-CB 3.44Å; M551-V554 WeakPolarHBondContact O-CG2 3.32Å; M551-V554 PolarHBondContact O-N 3.35Å; M551-V554 VanDerWaalsContact O-N 3.13Å; M551-F577 WeakPolarHBondContact O-CZ 3.28Å; M551-I610 HydrophobicContact SD-CB 4.3Å; M551-I610 HydrophobicContact SD-CG2 4.19Å; M551-F656 HydrophobicContact CE-CD2 3.51Å; M551-F656 HydrophobicContact CE-CE2 3.53Å; M551-F656 HydrophobicContact SD-CD2 4.13Å; M551-F656 HydrophobicContact SD-CE2 3.5Å; M551-F656 WeakPolarHBondContact SD-CE2 3.48Å; M551-F656 HydrophobicContact SD-CZ 4.12Å
552	D	79.1	Confident	78.9	Confident	30 Å²	30	41.3 Å²	41.3	16%	0.16	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-51.9	-21.6	177.2	-54.2	27.6	0	0	0	115.2	N550 V581 K613	N550-D552 PolarHBondContact O-N 3.2Å; N550-D552 VanDerWaalsContact O-N 3.12Å; D552-V581 HydrophobicContact CB-CG1 4.17Å; D552-K613 IonicContact OD1-NZ 2.64Å; D552-K613 IonicContact OD2-NZ 3.72Å; D552-K613 PolarHBondContact OD2-NZ 3.42Å
553	Y	73.3	Confident	79	Confident	154 Å²	154	41.8 Å²	41.8	60%	0.604	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-105.5	-6	-177.5	-62.1	-63	0	0	0	115	N550 M551 V555 R560	N550-Y553 HydrophobicContact CB-CD2 3.88Å; N550-Y553 HydrophobicContact CB-CE2 4.2Å; N550-Y553 PolarHBondContact O-N 2.99Å; M551-Y553 PolarHBondContact O-N 2.85Å; Y553-V555 VanDerWaalsContact C-N 3.33Å; Y553-V555 PolarHBondContact O-N 3.05Å; Y553-R560 PolarHBondContact O-NH2 2.71Å
554	V	79.8	Confident	79.1	Confident	25 Å²	25	43.4 Å²	43.4	15%	0.152	23%	0.233	C	C	.	.	S	Bend	trans	-57.4	-41.2	-173.3	171.6	0	0	0	0	112.7	M551 I675 I677	M551-V554 WeakPolarHBondContact O-CB 3.44Å; M551-V554 WeakPolarHBondContact O-CG2 3.32Å; M551-V554 PolarHBondContact O-N 3.35Å; M551-V554 VanDerWaalsContact O-N 3.13Å; V554-I675 HydrophobicContact CG1-CG2 3.7Å; V554-I677 HydrophobicContact CG1-CG2 3.79Å; V554-I677 VanDerWaalsContact O-CG2 3.31Å; V554-I677 WeakPolarHBondContact O-CG2 3.21Å
555	V	80.2	Confident	79.4	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.232	C	C	.	.	S	Bend	trans	-85.7	133.7	173	177.5	0	0	0	0	109.8	L497 Y553 R560 F577 I675	L497-V555 HydrophobicContact CD1-CG1 3.87Å; L497-V555 HydrophobicContact CD1-CG2 4.23Å; Y553-V555 VanDerWaalsContact C-N 3.33Å; Y553-V555 PolarHBondContact O-N 3.05Å; V555-R560 HydrophobicContact CB-CG 4.33Å; V555-R560 HydrophobicContact CG1-CG 4.19Å; V555-R560 VanDerWaalsContact O-CZ 3.23Å; V555-R560 PolarHBondContact O-NE 3.42Å; V555-R560 PolarHBondContact O-NH2 3.06Å; V555-F577 HydrophobicContact CB-CD1 3.93Å; V555-F577 HydrophobicContact CB-CD2 4.21Å; V555-F577 HydrophobicContact CB-CE1 3.97Å; V555-F577 HydrophobicContact CB-CE2 4.25Å; V555-F577 HydrophobicContact CB-CG 4.03Å; V555-F577 HydrophobicContact CB-CZ 4.12Å; V555-F577 HydrophobicContact CG2-CD1 4.18Å; V555-F577 HydrophobicContact CG2-CD2 3.52Å; V555-F577 HydrophobicContact CG2-CE1 4.18Å; V555-F577 HydrophobicContact CG2-CE2 3.54Å; V555-F577 HydrophobicContact CG2-CG 3.84Å; V555-F577 HydrophobicContact CG2-CZ 3.87Å; V555-I675 HydrophobicContact CG2-CD1 3.75Å; V555-I675 HydrophobicContact CG2-CG1 4.39Å
556	P	72	Confident	79.8	Confident	41 Å²	41	43.4 Å²	43.4	27%	0.266	23%	0.233	S	C	.	.			trans	-58.4	146	173.4	-24.9	33.6	0	0	0	112.7	T558 Y559 I677	P556-T558 PolarHBondContact O-N 2.99Å; P556-Y559 HydrophobicContact CB-CD2 4.22Å; P556-Y559 HydrophobicContact CG-CD2 4.32Å; P556-Y559 PolarHBondContact O-N 2.82Å; P556-I677 WeakPolarHBondContact CD-O 3.38Å
557	P	72.1	Confident	80.7	Confident	84 Å²	84	43.3 Å²	43.3	55%	0.545	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-49.2	-38.4	-176.9	-29.1	35.5	0	0	0	114.6	Y559 R560	P557-Y559 PolarHBondContact O-N 3.25Å; P557-R560 PolarHBondContact O-N 3.11Å
558	T	75.7	Confident	82	Confident	110 Å²	110	43.2 Å²	43.2	68%	0.675	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-54.4	-22	177.8	-38.3	0	0	0	0	114.9	P556	P556-T558 PolarHBondContact O-N 2.99Å
559	Y	84.3	Confident	83.5	Confident	51 Å²	51	45.5 Å²	45.5	20%	0.2	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-124.7	9.5	-176.5	-47.6	-63.5	0	0	0	113.4	K495 P556 P557 V563 T678 P679	K495-Y559 HydrophobicContact CD-CE1 4.43Å; P556-Y559 HydrophobicContact CB-CD2 4.22Å; P556-Y559 HydrophobicContact CG-CD2 4.32Å; P556-Y559 PolarHBondContact O-N 2.82Å; P557-Y559 PolarHBondContact O-N 3.25Å; Y559-V563 HydrophobicContact CD1-CG2 4.45Å; Y559-T678 HydrophobicContact CE2-CG2 4.01Å; Y559-P679 HydrophobicContact CD1-CG 3.98Å; Y559-P679 HydrophobicContact CE1-CG 4.03Å
560	R	84.6	Confident	84.7	Confident	39 Å²	39	43.6 Å²	43.6	15%	0.147	24%	0.235	C	C	.	.	S	Bend	trans	-74.8	-28.2	-179.4	-71.7	-171.7	-171.3	150.1	12	114.2	Y553 V555 P557 F577 M578	Y553-R560 PolarHBondContact O-NH2 2.71Å; V555-R560 HydrophobicContact CB-CG 4.33Å; V555-R560 HydrophobicContact CG1-CG 4.19Å; V555-R560 VanDerWaalsContact O-CZ 3.23Å; V555-R560 PolarHBondContact O-NE 3.42Å; V555-R560 PolarHBondContact O-NH2 3.06Å; P557-R560 PolarHBondContact O-N 3.11Å; R560-F577 HydrophobicContact CB-CD1 4.36Å; R560-F577 HydrophobicContact CG-CD1 3.92Å; R560-F577 HydrophobicContact CG-CE1 4.47Å; R560-F577 PolarHBondContact O-N 2.72Å; R560-M578 HydrophobicContact CB-CG 3.96Å; R560-M578 HydrophobicContact CB-SD 4.37Å; R560-M578 PolarHBondContact O-N 2.84Å
561	Y	88.5	Confident	85.8	Confident	139 Å²	139	47.2 Å²	47.2	55%	0.545	25%	0.251	S	S	.	.	S	Bend	trans	-124.2	140.6	-174	-61.4	-77.3	0	0	0	110.6	V563 D576 M578	Y561-V563 PolarHBondContact O-N 2.97Å; Y561-D576 WeakPolarHBondContact CA-OD2 3.35Å; Y561-M578 HydrophobicContact CD1-CB 4.09Å; Y561-M578 HydrophobicContact CD1-CG 3.97Å; Y561-M578 HydrophobicContact CE1-CB 3.65Å; Y561-M578 HydrophobicContact CE1-CG 3.48Å; Y561-M578 VanDerWaalsContact CE1-CG 3.48Å; Y561-M578 HydrophobicContact CE2-CG 4.24Å
562	G	86.2	Confident	86.2	Confident	67 Å²	67	50.3 Å²	50.3	69%	0.691	27%	0.267	S	S	*	.	S	Bend	trans	64.5	18.8	175.9	0	0	0	0	0	115.7	D576	G562-D576 PolarHBondContact N-OD2 3.11Å
563	V	90.1	Very high	87	Confident	10 Å²	10	48.9 Å²	48.9	6%	0.061	26%	0.259	C	S	.	.			trans	-122.7	108.8	173	-177.2	0	0	0	0	107.9	K495 L497 Y559 Y561 D576	K495-V563 HydrophobicContact CB-CG1 4.15Å; L497-V563 HydrophobicContact CD1-CG1 4.43Å; L497-V563 HydrophobicContact CG-CG1 3.92Å; Y559-V563 HydrophobicContact CD1-CG2 4.45Å; Y561-V563 PolarHBondContact O-N 2.97Å; V563-D576 WeakPolarHBondContact O-CA 3.29Å
564	P	94.4	Very high	88.1	Confident	35 Å²	35	41.6 Å²	41.6	23%	0.227	23%	0.231	C	C	.	.			trans	-66.8	142.7	-174	25.7	-35.2	0	0	0	112.6	K495 L497 I572 F574 D575	K495-P564 WeakPolarHBondContact O-CD 3.39Å; L497-P564 PolarHBondContact N-O 2.79Å; P564-I572 HydrophobicContact CB-CD1 4.46Å; P564-I572 HydrophobicContact CB-CG1 4.41Å; P564-I572 HydrophobicContact CB-CG2 4.28Å; P564-F574 WeakPolarHBondContact CA-O 3.43Å; P564-D575 WeakPolarHBondContact CA-O 3.41Å
565	L	95.2	Very high	88.7	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	131.6	168	-53.9	-167.8	0	0	0	109	L497 L499 L573 F574 F577 L580 I675	L497-L565 HydrophobicContact CB-CD2 3.81Å; L497-L565 HydrophobicContact CD1-CD2 4.09Å; L497-L565 HydrophobicContact CG-CD2 4.46Å; L497-L565 CarbonylContact O-C 3.55Å; L497-L565 VanDerWaalsContact O-CA 3.31Å; L497-L565 WeakPolarHBondContact O-CA 3.33Å; L499-L565 HydrophobicContact CB-CB 4.42Å; L499-L565 HydrophobicContact CD2-CD1 4.05Å; L565-L573 PolarHBondContact O-N 3.04Å; L565-F574 HydrophobicContact CB-CB 4.17Å; L565-F574 HydrophobicContact CB-CD2 4.23Å; L565-F574 HydrophobicContact CD1-CB 4.33Å; L565-F574 HydrophobicContact CD1-CD2 4.05Å; L565-F574 HydrophobicContact CG-CB 4.31Å; L565-F574 PolarHBondContact N-O 3.06Å; L565-F574 PolarHBondContact O-N 3.24Å; L565-F577 HydrophobicContact CD1-CD2 4.41Å; L565-F577 HydrophobicContact CD2-CB 4.36Å; L565-L580 HydrophobicContact CD1-CB 4.3Å; L565-L580 HydrophobicContact CD1-CD2 3.73Å; L565-I675 HydrophobicContact CD1-CD1 4.12Å; L565-I675 HydrophobicContact CD2-CD1 4.02Å
566	V	94.9	Very high	89.3	Confident	3 Å²	3	45.8 Å²	45.8	2%	0.018	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	153.6	-178.7	-61.5	0	0	0	0	112.4	K496 L497 Y498 L499 G570 E571 I572	K496-V566 HydrophobicContact CB-CG1 4.22Å; K496-V566 HydrophobicContact CB-CG2 4.34Å; K496-V566 HydrophobicContact CD-CG1 4.34Å; K496-V566 HydrophobicContact CD-CG2 4.01Å; K496-V566 HydrophobicContact CG-CG2 4.44Å; L497-V566 PolarHBondContact O-N 2.04Å; Y498-V566 CarbonylContact C-O 3.58Å; Y498-V566 WeakPolarHBondContact CA-O 3.44Å; Y498-V566 HydrophobicContact CD1-CG2 3.57Å; Y498-V566 HydrophobicContact CE1-CG2 3.78Å; Y498-V566 HydrophobicContact CG-CG2 4.1Å; L499-V566 PolarHBondContact N-O 3.11Å; V566-G570 WeakPolarHBondContact CG1-O 3.23Å; V566-E571 CarbonylContact C-O 3.58Å; V566-E571 WeakPolarHBondContact CA-O 3.47Å; V566-E571 WeakPolarHBondContact CB-O 3.32Å; V566-I572 HydrophobicContact CG1-CG1 4.27Å
567	N	94.9	Very high	90.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.239	C	C	.	.			trans	-78.8	-178.8	170.6	74.5	10.2	0	0	0	112	Y498 H569 G570 E571 L573 K590 L592	Y498-N567 WeakPolarHBondContact CD1-O 3.37Å; N567-H569 PolarHBondContact O-N 3.37Å; N567-H569 VanDerWaalsContact O-N 3.15Å; N567-H569 WeakPolarHBondContact OD1-CA 3.44Å; N567-H569 WeakPolarHBondContact OD1-CB 3.42Å; N567-H569 PolarHBondContact OD1-N 2.94Å; N567-G570 PolarHBondContact O-N 2.82Å; N567-G570 PolarHBondContact OD1-N 3.48Å; N567-E571 PolarHBondContact N-O 3.42Å; N567-E571 PolarHBondContact ND2-OE2 3.22Å; N567-E571 PolarHBondContact OD1-N 2.8Å; N567-E571 VanDerWaalsContact OD1-N 3.12Å; N567-L573 HydrophobicContact CB-CD1 3.91Å; N567-L573 HydrophobicContact CB-CD2 4.21Å; N567-L573 HydrophobicContact CB-CG 4.03Å; N567-K590 PolarHBondContact ND2-O 3.32Å; N567-L592 HydrophobicContact CB-CD1 4.08Å; N567-L592 HydrophobicContact CB-CG 4.09Å; N567-L592 WeakPolarHBondContact ND2-CD1 3.47Å
568	L	92.8	Very high	91.3	Very high	7 Å²	7	40.9 Å²	40.9	4%	0.037	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-31.9	179.2	-179.5	66.3	0	0	0	113.7	Y489 I500 L536 G570 L592 F594	Y489-L568 HydrophobicContact CD1-CD1 4.48Å; Y489-L568 WeakPolarHBondContact CD1-O 3.48Å; Y489-L568 HydrophobicContact CE1-CD1 3.69Å; Y489-L568 HydrophobicContact CE1-CG 4.06Å; I500-L568 HydrophobicContact CD1-CB 4.1Å; I500-L568 HydrophobicContact CD1-CD1 3.88Å; I500-L568 HydrophobicContact CG1-CB 4.38Å; L536-L568 HydrophobicContact CD1-CD1 3.94Å; L536-L568 HydrophobicContact CD2-CD1 4.43Å; L568-G570 VanDerWaalsContact C-N 3.32Å; L568-L592 HydrophobicContact CB-CB 4.44Å; L568-L592 HydrophobicContact CB-CD1 4.16Å; L568-F594 WeakPolarHBondContact CD2-O 3.25Å
569	H	92.3	Very high	92.1	Very high	91 Å²	91	36 Å²	36	42%	0.421	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-6.6	179	-57.9	154.3	0	0	0	113.6	P490 N567 E571 L592	P490-H569 WeakPolarHBondContact CG-O 3.5Å; N567-H569 PolarHBondContact O-N 3.37Å; N567-H569 VanDerWaalsContact O-N 3.15Å; N567-H569 WeakPolarHBondContact OD1-CA 3.44Å; N567-H569 WeakPolarHBondContact OD1-CB 3.42Å; N567-H569 PolarHBondContact OD1-N 2.94Å; H569-E571 HydrophobicContact CB-CG 4.18Å; H569-E571 IonicContact ND1-OE2 2.68Å; H569-L592 VanDerWaalsContact CE1-CD1 3.4Å; H569-L592 WeakPolarHBondContact CE1-CD1 3.32Å; H569-L592 WeakPolarHBondContact ND1-CD1 3.45Å
570	G	90.7	Very high	92.6	Very high	4 Å²	4	33.6 Å²	33.6	4%	0.041	18%	0.18	C	C	.	.	S	Bend	trans	88.6	2.7	-175.2	0	0	0	0	0	114.6	H492 V566 N567 L568	H492-G570 PolarHBondContact CD2-O 2.76Å; H492-G570 PolarHBondContact NE2-O 2.82Å; V566-G570 WeakPolarHBondContact CG1-O 3.23Å; N567-G570 PolarHBondContact O-N 2.82Å; N567-G570 PolarHBondContact OD1-N 3.48Å; L568-G570 VanDerWaalsContact C-N 3.32Å
571	E	94.8	Very high	92.9	Very high	90 Å²	90	32.3 Å²	32.3	42%	0.421	18%	0.176	S	C	.	.			trans	-69.7	136.5	175.7	-53.3	171.8	106.2	0	0	109.9	V566 N567 H569 L573 A589	V566-E571 CarbonylContact C-O 3.58Å; V566-E571 WeakPolarHBondContact CA-O 3.47Å; V566-E571 WeakPolarHBondContact CB-O 3.32Å; N567-E571 PolarHBondContact N-O 3.42Å; N567-E571 PolarHBondContact ND2-OE2 3.22Å; N567-E571 PolarHBondContact OD1-N 2.8Å; N567-E571 VanDerWaalsContact OD1-N 3.12Å; H569-E571 HydrophobicContact CB-CG 4.18Å; H569-E571 IonicContact ND1-OE2 2.68Å; E571-L573 PolarHBondContact O-N 3.06Å; E571-A589 HydrophobicContact CB-CB 3.59Å
572	I	94.8	Very high	93	Very high	77 Å²	77	30.2 Å²	30.2	40%	0.395	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	128.4	-179.4	-60.3	175.7	0	0	0	109.6	P564 V566 Q588 A589	P564-I572 HydrophobicContact CB-CD1 4.46Å; P564-I572 HydrophobicContact CB-CG1 4.41Å; P564-I572 HydrophobicContact CB-CG2 4.28Å; V566-I572 HydrophobicContact CG1-CG1 4.27Å; I572-Q588 WeakPolarHBondContact O-CB 3.28Å; I572-A589 VanDerWaalsContact O-CB 3.24Å; I572-A589 WeakPolarHBondContact O-CB 3.2Å; I572-A589 PolarHBondContact O-N 2.96Å
573	L	96.1	Very high	93.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-48	169.2	-68.5	170.7	0	0	0	110.4	L499 L565 N567 E571 P587 Q588 A589 L591	L499-L573 HydrophobicContact CB-CD1 4.09Å; L499-L573 HydrophobicContact CD2-CD1 4.16Å; L499-L573 HydrophobicContact CG-CD1 4.38Å; L565-L573 PolarHBondContact O-N 3.04Å; N567-L573 HydrophobicContact CB-CD1 3.91Å; N567-L573 HydrophobicContact CB-CD2 4.21Å; N567-L573 HydrophobicContact CB-CG 4.03Å; E571-L573 PolarHBondContact O-N 3.06Å; L573-P587 HydrophobicContact CD2-CB 4.02Å; L573-P587 CarbonylContact O-C 3.34Å; L573-P587 VanDerWaalsContact O-CA 3.3Å; L573-P587 WeakPolarHBondContact O-CA 3.26Å; L573-Q588 PolarHBondContact O-N 3.38Å; L573-A589 HydrophobicContact CD2-CB 4.22Å; L573-A589 WeakPolarHBondContact CD2-O 3.36Å; L573-L591 HydrophobicContact CD1-CD1 4.07Å
574	F	96	Very high	93.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	142.9	-172.7	-55.1	-76.7	0	0	0	110.8	L499 P564 L565 D576 L580 S585 P587 L655	L499-F574 HydrophobicContact CD2-CD2 4Å; L499-F574 HydrophobicContact CD2-CE2 3.76Å; P564-F574 WeakPolarHBondContact CA-O 3.43Å; L565-F574 HydrophobicContact CB-CB 4.17Å; L565-F574 HydrophobicContact CB-CD2 4.23Å; L565-F574 HydrophobicContact CD1-CB 4.33Å; L565-F574 HydrophobicContact CD1-CD2 4.05Å; L565-F574 HydrophobicContact CG-CB 4.31Å; L565-F574 PolarHBondContact N-O 3.06Å; L565-F574 PolarHBondContact O-N 3.24Å; F574-D576 VanDerWaalsContact C-N 3.31Å; F574-D576 PolarHBondContact O-N 3.43Å; F574-L580 HydrophobicContact CB-CB 4.43Å; F574-L580 HydrophobicContact CD1-CB 4.21Å; F574-L580 HydrophobicContact CD2-CB 4.1Å; F574-L580 HydrophobicContact CD2-CD1 4.43Å; F574-L580 HydrophobicContact CD2-CD2 4.02Å; F574-L580 HydrophobicContact CD2-CG 4.41Å; F574-L580 HydrophobicContact CE1-CD1 4.07Å; F574-L580 HydrophobicContact CE2-CB 4.45Å; F574-L580 HydrophobicContact CE2-CD1 3.92Å; F574-L580 HydrophobicContact CE2-CD2 3.96Å; F574-L580 HydrophobicContact CE2-CG 4.33Å; F574-L580 HydrophobicContact CG-CB 3.99Å; F574-L580 HydrophobicContact CZ-CD1 3.73Å; F574-S585 WeakPolarHBondContact CD1-OG 3.4Å; F574-S585 WeakPolarHBondContact CE1-O 3.41Å; F574-P587 HydrophobicContact CE1-CB 4.08Å; F574-P587 HydrophobicContact CE2-CB 4.37Å; F574-P587 HydrophobicContact CZ-CB 3.73Å; F574-P587 HydrophobicContact CZ-CG 4.39Å; F574-L655 HydrophobicContact CE1-CB 4.31Å; F574-L655 HydrophobicContact CE2-CD2 4.47Å; F574-L655 HydrophobicContact CZ-CB 4.06Å; F574-L655 HydrophobicContact CZ-CD2 3.86Å
575	D	92.8	Very high	93	Very high	91 Å²	91	31.8 Å²	31.8	49%	0.487	16%	0.155	S	C	.	.	S	Bend	trans	-63.8	-36	-174.7	-52.5	-60.3	0	0	0	112.8	P564 Q588	P564-D575 WeakPolarHBondContact CA-O 3.41Å; D575-Q588 PolarHBondContact OD1-NE2 2.9Å; D575-Q588 PolarHBondContact OD2-NE2 2.84Å
576	D	93.2	Very high	92.9	Very high	22 Å²	22	35.8 Å²	35.8	12%	0.118	17%	0.172	C	C	.	.	S	Bend	trans	-154.4	172.3	165.7	67.4	26.8	0	0	0	112.5	Y561 G562 V563 F574 M578 S579 R584	Y561-D576 WeakPolarHBondContact CA-OD2 3.35Å; G562-D576 PolarHBondContact N-OD2 3.11Å; V563-D576 WeakPolarHBondContact O-CA 3.29Å; F574-D576 VanDerWaalsContact C-N 3.31Å; F574-D576 PolarHBondContact O-N 3.43Å; D576-M578 VanDerWaalsContact C-N 3.29Å; D576-M578 PolarHBondContact O-N 3.34Å; D576-M578 PolarHBondContact OD1-N 2.8Å; D576-M578 VanDerWaalsContact OD1-N 3.14Å; D576-S579 PolarHBondContact N-OG 3.35Å; D576-S579 WeakPolarHBondContact O-CB 3.27Å; D576-S579 PolarHBondContact O-N 2.82Å; D576-S579 PolarHBondContact O-OG 3.26Å; D576-S579 PolarHBondContact OD1-N 2.71Å; D576-R584 IonicContact OD1-NH2 3.39Å
577	F	93.2	Very high	92.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-57.7	-39.1	179.8	178.3	-109.9	0	0	0	113.1	L543 M551 V555 R560 L565 L580 V581 I675	L543-F577 HydrophobicContact CD1-CE2 3.66Å; L543-F577 HydrophobicContact CD1-CZ 4.12Å; M551-F577 WeakPolarHBondContact O-CZ 3.28Å; V555-F577 HydrophobicContact CB-CD1 3.93Å; V555-F577 HydrophobicContact CB-CD2 4.21Å; V555-F577 HydrophobicContact CB-CE1 3.97Å; V555-F577 HydrophobicContact CB-CE2 4.25Å; V555-F577 HydrophobicContact CB-CG 4.03Å; V555-F577 HydrophobicContact CB-CZ 4.12Å; V555-F577 HydrophobicContact CG2-CD1 4.18Å; V555-F577 HydrophobicContact CG2-CD2 3.52Å; V555-F577 HydrophobicContact CG2-CE1 4.18Å; V555-F577 HydrophobicContact CG2-CE2 3.54Å; V555-F577 HydrophobicContact CG2-CG 3.84Å; V555-F577 HydrophobicContact CG2-CZ 3.87Å; R560-F577 HydrophobicContact CB-CD1 4.36Å; R560-F577 HydrophobicContact CG-CD1 3.92Å; R560-F577 HydrophobicContact CG-CE1 4.47Å; R560-F577 PolarHBondContact O-N 2.72Å; L565-F577 HydrophobicContact CD1-CD2 4.41Å; L565-F577 HydrophobicContact CD2-CB 4.36Å; F577-L580 PolarHBondContact O-N 2.87Å; F577-V581 HydrophobicContact CD1-CG2 4.17Å; F577-V581 HydrophobicContact CD2-CG2 4.21Å; F577-V581 HydrophobicContact CE1-CG2 3.76Å; F577-V581 HydrophobicContact CE2-CG2 3.8Å; F577-V581 HydrophobicContact CG-CG2 4.4Å; F577-V581 HydrophobicContact CZ-CG2 3.57Å; F577-V581 WeakPolarHBondContact O-CG2 3.25Å; F577-V581 PolarHBondContact O-N 3.03Å; F577-I675 HydrophobicContact CD2-CD1 3.48Å; F577-I675 VanDerWaalsContact CD2-CD1 3.48Å; F577-I675 HydrophobicContact CE2-CD1 3.62Å
578	M	92.3	Very high	92.8	Very high	23 Å²	23	42.2 Å²	42.2	11%	0.113	20%	0.204	C	C	.	.	H	α-helix	trans	-74.5	-27.1	-178.2	-63.4	-59.5	-61	0	0	112.5	R560 Y561 D576 L580 V581 E582	R560-M578 HydrophobicContact CB-CG 3.96Å; R560-M578 HydrophobicContact CB-SD 4.37Å; R560-M578 PolarHBondContact O-N 2.84Å; Y561-M578 HydrophobicContact CD1-CB 4.09Å; Y561-M578 HydrophobicContact CD1-CG 3.97Å; Y561-M578 HydrophobicContact CE1-CB 3.65Å; Y561-M578 HydrophobicContact CE1-CG 3.48Å; Y561-M578 VanDerWaalsContact CE1-CG 3.48Å; Y561-M578 HydrophobicContact CE2-CG 4.24Å; D576-M578 VanDerWaalsContact C-N 3.29Å; D576-M578 PolarHBondContact O-N 3.34Å; D576-M578 PolarHBondContact OD1-N 2.8Å; D576-M578 VanDerWaalsContact OD1-N 3.14Å; M578-L580 VanDerWaalsContact C-N 3.29Å; M578-L580 PolarHBondContact O-N 2.9Å; M578-V581 PolarHBondContact O-N 2.92Å; M578-E582 HydrophobicContact CE-CG 4.14Å; M578-E582 VanDerWaalsContact O-CB 3.23Å; M578-E582 WeakPolarHBondContact O-CB 3.34Å; M578-E582 WeakPolarHBondContact O-CG 3.44Å; M578-E582 PolarHBondContact O-N 2.88Å
579	S	93	Very high	92.9	Very high	7 Å²	7	43 Å²	43	5%	0.049	21%	0.211	C	C	.	.	H	α-helix	trans	-59.9	-39.4	171	79	0	0	0	0	112.3	D576 R584 S585	D576-S579 PolarHBondContact N-OG 3.35Å; D576-S579 WeakPolarHBondContact O-CB 3.27Å; D576-S579 PolarHBondContact O-N 2.82Å; D576-S579 PolarHBondContact O-OG 3.26Å; D576-S579 PolarHBondContact OD1-N 2.71Å; S579-R584 PolarHBondContact O-N 2.84Å; S579-S585 WeakPolarHBondContact CB-OG 3.31Å; S579-S585 PolarHBondContact O-N 3.22Å; S579-S585 PolarHBondContact O-OG 2.88Å; S579-S585 PolarHBondContact OG-OG 3.19Å; S579-S585 VanDerWaalsContact OG-OG 3.14Å
580	L	94.8	Very high	93.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-69.6	-56.5	171.2	170	57.8	0	0	0	111.5	L499 L543 L565 F574 F577 M578 E582 G583 L655 F656	L499-L580 HydrophobicContact CD2-CD2 3.63Å; L543-L580 HydrophobicContact CD2-CD2 3.89Å; L565-L580 HydrophobicContact CD1-CB 4.3Å; L565-L580 HydrophobicContact CD1-CD2 3.73Å; F574-L580 HydrophobicContact CB-CB 4.43Å; F574-L580 HydrophobicContact CD1-CB 4.21Å; F574-L580 HydrophobicContact CD2-CB 4.1Å; F574-L580 HydrophobicContact CD2-CD1 4.43Å; F574-L580 HydrophobicContact CD2-CD2 4.02Å; F574-L580 HydrophobicContact CD2-CG 4.41Å; F574-L580 HydrophobicContact CE1-CD1 4.07Å; F574-L580 HydrophobicContact CE2-CB 4.45Å; F574-L580 HydrophobicContact CE2-CD1 3.92Å; F574-L580 HydrophobicContact CE2-CD2 3.96Å; F574-L580 HydrophobicContact CE2-CG 4.33Å; F574-L580 HydrophobicContact CG-CB 3.99Å; F574-L580 HydrophobicContact CZ-CD1 3.73Å; F577-L580 PolarHBondContact O-N 2.87Å; M578-L580 VanDerWaalsContact C-N 3.29Å; M578-L580 PolarHBondContact O-N 2.9Å; L580-E582 VanDerWaalsContact C-N 3.34Å; L580-E582 PolarHBondContact O-N 2.84Å; L580-G583 WeakPolarHBondContact O-CA 3.34Å; L580-G583 PolarHBondContact O-N 3.33Å; L580-L655 HydrophobicContact CD1-CB 4.1Å; L580-L655 HydrophobicContact CD1-CD2 4.04Å; L580-L655 HydrophobicContact CD1-CG 4.38Å; L580-F656 HydrophobicContact CD1-CB 4.5Å; L580-F656 HydrophobicContact CD1-CD1 3.96Å; L580-F656 HydrophobicContact CD1-CD2 3.61Å; L580-F656 HydrophobicContact CD1-CE1 4.06Å; L580-F656 HydrophobicContact CD1-CE2 3.73Å; L580-F656 HydrophobicContact CD1-CG 3.74Å; L580-F656 HydrophobicContact CD1-CZ 3.96Å; L580-F656 HydrophobicContact CD2-CE2 4.12Å; L580-F656 HydrophobicContact CD2-CZ 4.41Å; L580-F656 HydrophobicContact CG-CD2 3.83Å; L580-F656 HydrophobicContact CG-CE2 3.77Å; L580-F656 HydrophobicContact CG-CG 4.45Å; L580-F656 HydrophobicContact CG-CZ 4.34Å; L580-F656 WeakPolarHBondContact O-CB 3.41Å
581	V	90.4	Very high	93.3	Very high	13 Å²	13	44.1 Å²	44.1	8%	0.079	21%	0.214	C	C	.	.	H	α-helix	trans	-64.6	-34.4	-171.9	171.6	0	0	0	0	113.3	D552 F577 M578 G583	D552-V581 HydrophobicContact CB-CG1 4.17Å; F577-V581 HydrophobicContact CD1-CG2 4.17Å; F577-V581 HydrophobicContact CD2-CG2 4.21Å; F577-V581 HydrophobicContact CE1-CG2 3.76Å; F577-V581 HydrophobicContact CE2-CG2 3.8Å; F577-V581 HydrophobicContact CG-CG2 4.4Å; F577-V581 HydrophobicContact CZ-CG2 3.57Å; F577-V581 WeakPolarHBondContact O-CG2 3.25Å; F577-V581 PolarHBondContact O-N 3.03Å; M578-V581 PolarHBondContact O-N 2.92Å; V581-G583 PolarHBondContact O-N 2.92Å
582	E	89.7	Confident	93.4	Very high	94 Å²	94	40 Å²	40	44%	0.439	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-1.5	173.8	-64.1	176.8	-141.3	0	0	113	M578 L580 R584	M578-E582 HydrophobicContact CE-CG 4.14Å; M578-E582 VanDerWaalsContact O-CB 3.23Å; M578-E582 WeakPolarHBondContact O-CB 3.34Å; M578-E582 WeakPolarHBondContact O-CG 3.44Å; M578-E582 PolarHBondContact O-N 2.88Å; L580-E582 VanDerWaalsContact C-N 3.34Å; L580-E582 PolarHBondContact O-N 2.84Å; E582-R584 VanDerWaalsContact C-N 3.32Å; E582-R584 HydrophobicContact CB-CG 3.71Å; E582-R584 PolarHBondContact O-N 3.36Å; E582-R584 IonicContact OE1-CZ 3.64Å; E582-R584 IonicContact OE1-NH1 2.71Å; E582-R584 PolarHBondContact OE1-NH1 3.38Å; E582-R584 WeakPolarHBondContact OE2-CD 3.45Å; E582-R584 IonicContact OE2-CZ 3.8Å; E582-R584 VanDerWaalsContact OE2-CZ 3.28Å; E582-R584 IonicContact OE2-NE 3.88Å; E582-R584 PolarHBondContact OE2-NE 3.08Å; E582-R584 IonicContact OE2-NH1 2.83Å; E582-R584 PolarHBondContact OE2-NH1 3.21Å
583	G	91.2	Very high	93.4	Very high	4 Å²	4	36.7 Å²	36.7	4%	0.041	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	25.9	177.7	0	0	0	0	0	114.3	L580 V581 G654 F656	L580-G583 WeakPolarHBondContact O-CA 3.34Å; L580-G583 PolarHBondContact O-N 3.33Å; V581-G583 PolarHBondContact O-N 2.92Å; G583-G654 PolarHBondContact O-N 3.45Å; G583-F656 WeakPolarHBondContact CA-O 3.28Å
584	R	89.7	Confident	93.3	Very high	124 Å²	124	36.7 Å²	36.7	47%	0.468	18%	0.178	S	C	.	.			trans	-87.6	-20.4	-170.2	-59.8	-177.2	-56.1	-161.2	8.2	114.2	D576 S579 E582 P653	D576-R584 IonicContact OD1-NH2 3.39Å; S579-R584 PolarHBondContact O-N 2.84Å; E582-R584 VanDerWaalsContact C-N 3.32Å; E582-R584 HydrophobicContact CB-CG 3.71Å; E582-R584 PolarHBondContact O-N 3.36Å; E582-R584 IonicContact OE1-CZ 3.64Å; E582-R584 IonicContact OE1-NH1 2.71Å; E582-R584 PolarHBondContact OE1-NH1 3.38Å; E582-R584 WeakPolarHBondContact OE2-CD 3.45Å; E582-R584 IonicContact OE2-CZ 3.8Å; E582-R584 VanDerWaalsContact OE2-CZ 3.28Å; E582-R584 IonicContact OE2-NE 3.88Å; E582-R584 PolarHBondContact OE2-NE 3.08Å; E582-R584 IonicContact OE2-NH1 2.83Å; E582-R584 PolarHBondContact OE2-NH1 3.21Å; R584-P653 CarbonylContact C-O 2.99Å
585	S	90.1	Very high	93.1	Very high	17 Å²	17	41.2 Å²	41.2	12%	0.119	20%	0.202	C	C	.	.			trans	-132.1	141.1	-173.3	46	0	0	0	0	112.6	F574 S579 G654 L655	F574-S585 WeakPolarHBondContact CD1-OG 3.4Å; F574-S585 WeakPolarHBondContact CE1-O 3.41Å; S579-S585 WeakPolarHBondContact CB-OG 3.31Å; S579-S585 PolarHBondContact O-N 3.22Å; S579-S585 PolarHBondContact O-OG 2.88Å; S579-S585 PolarHBondContact OG-OG 3.19Å; S579-S585 VanDerWaalsContact OG-OG 3.14Å; S585-G654 CarbonylContact O-C 3.56Å; S585-G654 WeakPolarHBondContact O-CA 3.39Å; S585-L655 PolarHBondContact O-N 3.12Å
586	K	93	Very high	93.1	Very high	84 Å²	84	38 Å²	38	37%	0.365	19%	0.191	S	C	.	.			trans	-79.1	152.9	163.9	-68.8	-169.2	-177.1	-172.8	0	109.1	Q588 I648 D650 A652	K586-Q588 PolarHBondContact O-N 3Å; K586-I648 HydrophobicContact CD-CG2 4.46Å; K586-D650 PolarHBondContact NZ-O 3.46Å; K586-A652 WeakPolarHBondContact CE-O 2.93Å
587	P	94.1	Very high	93.2	Very high	27 Å²	27	40.9 Å²	40.9	18%	0.175	21%	0.209	C	C	.	.			trans	-61.6	129.4	175.1	27	-34.1	0	0	0	110.3	L573 F574 A589 I648	L573-P587 HydrophobicContact CD2-CB 4.02Å; L573-P587 CarbonylContact O-C 3.34Å; L573-P587 VanDerWaalsContact O-CA 3.3Å; L573-P587 WeakPolarHBondContact O-CA 3.26Å; F574-P587 HydrophobicContact CE1-CB 4.08Å; F574-P587 HydrophobicContact CE2-CB 4.37Å; F574-P587 HydrophobicContact CZ-CB 3.73Å; F574-P587 HydrophobicContact CZ-CG 4.39Å; P587-A589 VanDerWaalsContact C-N 3.33Å; P587-I648 VanDerWaalsContact CD-CD1 3.44Å; P587-I648 HydrophobicContact CG-CD1 3.73Å
588	Q	94.6	Very high	93.2	Very high	111 Å²	111	43.5 Å²	43.5	52%	0.519	22%	0.223	S	C	.	.	S	Bend	trans	-77.4	-19.5	-179.5	-61.8	174.4	11.1	0	0	112.7	I572 L573 D575 K586	I572-Q588 WeakPolarHBondContact O-CB 3.28Å; L573-Q588 PolarHBondContact O-N 3.38Å; D575-Q588 PolarHBondContact OD1-NE2 2.9Å; D575-Q588 PolarHBondContact OD2-NE2 2.84Å; K586-Q588 PolarHBondContact O-N 3Å
589	A	95.2	Very high	93.3	Very high	23 Å²	23	42.5 Å²	42.5	19%	0.19	22%	0.218	C	C	.	.	S	Bend	trans	-130.4	176.4	176.4	0	0	0	0	0	111.4	E571 I572 L573 P587	E571-A589 HydrophobicContact CB-CB 3.59Å; I572-A589 VanDerWaalsContact O-CB 3.24Å; I572-A589 WeakPolarHBondContact O-CB 3.2Å; I572-A589 PolarHBondContact O-N 2.96Å; L573-A589 HydrophobicContact CD2-CB 4.22Å; L573-A589 WeakPolarHBondContact CD2-O 3.36Å; P587-A589 VanDerWaalsContact C-N 3.33Å
590	K	95.7	Very high	93.2	Very high	118 Å²	118	44 Å²	44	51%	0.513	23%	0.228	S	C	.	.			trans	-64.9	135.5	177.3	-71.9	173.4	169.8	-69.1	0	111.3	N567 L592 D598	N567-K590 PolarHBondContact ND2-O 3.32Å; K590-L592 HydrophobicContact CB-CD2 3.89Å; K590-L592 PolarHBondContact O-N 3.22Å; K590-D598 HydrophobicContact CD-CB 4.32Å; K590-D598 WeakPolarHBondContact CD-OD2 3.29Å; K590-D598 WeakPolarHBondContact CG-OD2 3.33Å; K590-D598 IonicContact NZ-OD2 2.71Å; K590-D598 PolarHBondContact NZ-OD2 3.44Å
591	L	94.7	Very high	93	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.01	26%	0.257	C	S	.	.			trans	-82	114.2	174.7	-173.7	63.5	0	0	0	109.1	L573 I599 T600 L608 L655 L673	L573-L591 HydrophobicContact CD1-CD1 4.07Å; L591-I599 HydrophobicContact CB-CG1 4.22Å; L591-I599 HydrophobicContact CD2-CD1 3.76Å; L591-I599 HydrophobicContact CD2-CG1 4.1Å; L591-I599 HydrophobicContact CG-CD1 3.95Å; L591-I599 HydrophobicContact CG-CG1 3.88Å; L591-I599 VanDerWaalsContact O-CG1 3.22Å; L591-I599 WeakPolarHBondContact O-CG1 3.42Å; L591-I599 PolarHBondContact O-N 2.82Å; L591-T600 PolarHBondContact N-OG1 3.37Å; L591-L608 HydrophobicContact CD2-CD1 4.1Å; L591-L655 HydrophobicContact CD2-CD2 4.49Å; L591-L673 HydrophobicContact CD1-CD2 4.04Å; L591-L673 HydrophobicContact CD2-CD2 4.28Å; L591-L673 HydrophobicContact CG-CD2 4.44Å
592	L	96.2	Very high	92.8	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.021	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-106.9	150.3	-171.5	-52.8	-179.5	0	0	0	112.2	A501 N567 L568 H569 K590 V597 D598	A501-L592 PolarHBondContact N-O 3.27Å; N567-L592 HydrophobicContact CB-CD1 4.08Å; N567-L592 HydrophobicContact CB-CG 4.09Å; N567-L592 WeakPolarHBondContact ND2-CD1 3.47Å; L568-L592 HydrophobicContact CB-CB 4.44Å; L568-L592 HydrophobicContact CB-CD1 4.16Å; H569-L592 VanDerWaalsContact CE1-CD1 3.4Å; H569-L592 WeakPolarHBondContact CE1-CD1 3.32Å; H569-L592 WeakPolarHBondContact ND1-CD1 3.45Å; K590-L592 HydrophobicContact CB-CD2 3.89Å; K590-L592 PolarHBondContact O-N 3.22Å; L592-V597 CarbonylContact C-O 3.53Å; L592-V597 WeakPolarHBondContact CA-O 3.15Å; L592-D598 HydrophobicContact CD2-CB 4.18Å
593	N	95.2	Very high	92.6	Very high	7 Å²	7	52.9 Å²	52.9	4%	0.037	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-83.6	176.6	161.5	75.8	2.7	0	0	0	112	A501 N503 D595 G596 V597 I599	A501-N593 HydrophobicContact CB-CB 4.19Å; A501-N593 WeakPolarHBondContact O-CA 3.49Å; A501-N593 WeakPolarHBondContact O-CB 3.34Å; N503-N593 WeakPolarHBondContact OD1-CB 2.92Å; N503-N593 VanDerWaalsContact OD1-CG 3.29Å; N503-N593 PolarHBondContact OD1-ND2 2.84Å; N593-D595 PolarHBondContact O-N 3.44Å; N593-D595 WeakPolarHBondContact OD1-CA 3.28Å; N593-D595 PolarHBondContact OD1-N 3.07Å; N593-G596 PolarHBondContact O-N 2.86Å; N593-G596 PolarHBondContact OD1-N 2.98Å; N593-G596 VanDerWaalsContact OD1-N 3.14Å; N593-V597 PolarHBondContact N-O 2.79Å; N593-V597 WeakPolarHBondContact OD1-CB 3.28Å; N593-V597 PolarHBondContact OD1-N 2.79Å; N593-I599 HydrophobicContact CB-CG2 4.05Å
594	F	93.5	Very high	92.4	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-18.9	178.3	-72.1	-82.3	0	0	0	113.4	I500 A501 N503 A530 A531 K534 L536 F540 L568 G596 C674	I500-F594 HydrophobicContact CB-CD1 4.31Å; I500-F594 HydrophobicContact CB-CE1 4.01Å; I500-F594 HydrophobicContact CB-CE2 4.28Å; I500-F594 HydrophobicContact CB-CZ 4.01Å; I500-F594 HydrophobicContact CD1-CD1 4.14Å; I500-F594 HydrophobicContact CD1-CE1 3.92Å; I500-F594 HydrophobicContact CG2-CB 4.24Å; I500-F594 HydrophobicContact CG2-CD1 3.68Å; I500-F594 HydrophobicContact CG2-CD2 3.77Å; I500-F594 HydrophobicContact CG2-CE1 3.9Å; I500-F594 HydrophobicContact CG2-CE2 3.99Å; I500-F594 HydrophobicContact CG2-CG 3.62Å; I500-F594 HydrophobicContact CG2-CZ 4.06Å; I500-F594 VanDerWaalsContact CG2-N 3.35Å; A501-F594 WeakPolarHBondContact O-CD2 3.35Å; A501-F594 PolarHBondContact O-N 3.49Å; N503-F594 WeakPolarHBondContact OD1-CA 3.24Å; N503-F594 WeakPolarHBondContact OD1-CB 3.05Å; N503-F594 PolarHBondContact OD1-N 3Å; A530-F594 HydrophobicContact CB-CB 4.48Å; A530-F594 HydrophobicContact CB-CD1 4.14Å; A530-F594 HydrophobicContact CB-CD2 3.48Å; A530-F594 VanDerWaalsContact CB-CD2 3.48Å; A530-F594 HydrophobicContact CB-CE1 4.22Å; A530-F594 HydrophobicContact CB-CE2 3.57Å; A530-F594 HydrophobicContact CB-CG 3.78Å; A530-F594 HydrophobicContact CB-CZ 3.94Å; A531-F594 HydrophobicContact CB-CE1 3.88Å; A531-F594 HydrophobicContact CB-CZ 4.33Å; K534-F594 VanDerWaalsContact CD-O 3.23Å; K534-F594 WeakPolarHBondContact CD-O 3.27Å; K534-F594 WeakPolarHBondContact CE-O 3.26Å; K534-F594 HydrophobicContact CG-CB 4.08Å; K534-F594 HydrophobicContact CG-CD1 4.1Å; K534-F594 PolarHBondContact NZ-O 3.39Å; L536-F594 HydrophobicContact CD1-CD1 4.47Å; L536-F594 HydrophobicContact CD1-CE1 4.27Å; F540-F594 HydrophobicContact CD1-CE1 4.48Å; F540-F594 HydrophobicContact CD1-CZ 4.27Å; F540-F594 HydrophobicContact CE1-CE1 4.27Å; F540-F594 HydrophobicContact CE1-CZ 4.41Å; L568-F594 WeakPolarHBondContact CD2-O 3.25Å; F594-G596 VanDerWaalsContact C-N 3.31Å; F594-C674 HydrophobicContact CE2-CB 3.9Å; F594-C674 HydrophobicContact CZ-CB 3.8Å
595	D	92.7	Very high	92.4	Very high	94 Å²	94	51.4 Å²	51.4	50%	0.503	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	4.8	171.6	-64.9	-20	0	0	0	114	N503 K534 N593 V597	N503-D595 PolarHBondContact ND2-OD1 2.85Å; N503-D595 PolarHBondContact ND2-OD2 2.8Å; N503-D595 PolarHBondContact OD1-N 3.49Å; N503-D595 VanDerWaalsContact OD1-N 3.07Å; K534-D595 WeakPolarHBondContact CE-OD1 3.44Å; K534-D595 IonicContact NZ-OD1 2.69Å; K534-D595 PolarHBondContact NZ-OD1 2.76Å; N593-D595 PolarHBondContact O-N 3.44Å; N593-D595 WeakPolarHBondContact OD1-CA 3.28Å; N593-D595 PolarHBondContact OD1-N 3.07Å; D595-V597 HydrophobicContact CB-CG2 4.28Å; D595-V597 PolarHBondContact O-N 3.05Å
596	G	93.5	Very high	92.5	Very high	25 Å²	25	53.7 Å²	53.7	26%	0.258	29%	0.294	S	S	.	.	S	Bend	trans	75.7	8.8	179.3	0	0	0	0	0	114	N593 F594	N593-G596 PolarHBondContact O-N 2.86Å; N593-G596 PolarHBondContact OD1-N 2.98Å; N593-G596 VanDerWaalsContact OD1-N 3.14Å; F594-G596 VanDerWaalsContact C-N 3.31Å
597	V	93.7	Very high	92.6	Very high	82 Å²	82	49.9 Å²	49.9	50%	0.497	28%	0.278	S	S	.	.			trans	-78.4	132.8	176.1	-172.8	0	0	0	0	109.1	L592 N593 D595 I599	L592-V597 CarbonylContact C-O 3.53Å; L592-V597 WeakPolarHBondContact CA-O 3.15Å; N593-V597 PolarHBondContact N-O 2.79Å; N593-V597 WeakPolarHBondContact OD1-CB 3.28Å; N593-V597 PolarHBondContact OD1-N 2.79Å; D595-V597 HydrophobicContact CB-CG2 4.28Å; D595-V597 PolarHBondContact O-N 3.05Å; V597-I599 PolarHBondContact O-N 3.05Å
598	D	94.9	Very high	92.7	Very high	55 Å²	55	48.6 Å²	48.6	29%	0.294	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-70.4	122.5	173	-177.1	5.9	0	0	0	110.6	K590 L592 T600	K590-D598 HydrophobicContact CD-CB 4.32Å; K590-D598 WeakPolarHBondContact CD-OD2 3.29Å; K590-D598 WeakPolarHBondContact CG-OD2 3.33Å; K590-D598 IonicContact NZ-OD2 2.71Å; K590-D598 PolarHBondContact NZ-OD2 3.44Å; L592-D598 HydrophobicContact CD2-CB 4.18Å; D598-T600 WeakPolarHBondContact OD1-CB 3.41Å; D598-T600 PolarHBondContact OD1-N 2.89Å; D598-T600 PolarHBondContact OD1-OG1 3.41Å
599	I	94	Very high	92.7	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	25%	0.245	C	C	.	.			trans	-105.5	6.4	-179.6	65.6	140.2	0	0	0	112.7	A501 L591 N593 V597 D601 D602 L608 L646	A501-I599 HydrophobicContact CB-CD1 3.4Å; A501-I599 HydrophobicContact CB-CG1 4.04Å; L591-I599 HydrophobicContact CB-CG1 4.22Å; L591-I599 HydrophobicContact CD2-CD1 3.76Å; L591-I599 HydrophobicContact CD2-CG1 4.1Å; L591-I599 HydrophobicContact CG-CD1 3.95Å; L591-I599 HydrophobicContact CG-CG1 3.88Å; L591-I599 VanDerWaalsContact O-CG1 3.22Å; L591-I599 WeakPolarHBondContact O-CG1 3.42Å; L591-I599 PolarHBondContact O-N 2.82Å; N593-I599 HydrophobicContact CB-CG2 4.05Å; V597-I599 PolarHBondContact O-N 3.05Å; I599-D601 PolarHBondContact O-N 2.99Å; I599-D601 VanDerWaalsContact O-N 3.12Å; I599-D602 HydrophobicContact CB-CB 4.41Å; I599-D602 PolarHBondContact O-N 3.06Å; I599-L608 HydrophobicContact CD1-CD2 3.85Å; I599-L646 HydrophobicContact CD1-CD1 4.24Å; I599-L646 WeakPolarHBondContact O-CD1 3.15Å
600	T	91.2	Very high	92.7	Very high	40 Å²	40	42.4 Å²	42.4	25%	0.245	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-23.1	-172.2	-49.2	0	0	0	0	113.1	L591 D598 P647	L591-T600 PolarHBondContact N-OG1 3.37Å; D598-T600 WeakPolarHBondContact OD1-CB 3.41Å; D598-T600 PolarHBondContact OD1-N 2.89Å; D598-T600 PolarHBondContact OD1-OG1 3.41Å; T600-P647 WeakPolarHBondContact O-CA 3.16Å
601	D	89	Confident	92.4	Very high	115 Å²	115	37 Å²	37	62%	0.615	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-135.8	60.4	174.9	-170.4	28.2	0	0	0	110.2	I599 I603 P647	I599-D601 PolarHBondContact O-N 2.99Å; I599-D601 VanDerWaalsContact O-N 3.12Å; D601-I603 PolarHBondContact O-N 3.24Å; D601-P647 WeakPolarHBondContact OD1-CD 3.25Å
602	D	86.3	Confident	91.9	Very high	19 Å²	19	38.7 Å²	38.7	10%	0.102	22%	0.222	C	C	.	.			trans	-81.8	111.1	-175.2	-167.8	-39.3	0	0	0	112.7	I599 V604 A605 P606 R671	I599-D602 HydrophobicContact CB-CB 4.41Å; I599-D602 PolarHBondContact O-N 3.06Å; D602-V604 VanDerWaalsContact C-N 3.32Å; D602-V604 PolarHBondContact O-N 3.17Å; D602-V604 WeakPolarHBondContact OD1-CA 3.41Å; D602-V604 WeakPolarHBondContact OD1-CB 3.43Å; D602-V604 PolarHBondContact OD1-N 3.19Å; D602-A605 CarbonylContact O-C 3.58Å; D602-A605 PolarHBondContact OD1-N 3.09Å; D602-P606 WeakPolarHBondContact O-CA 3.18Å; D602-P606 WeakPolarHBondContact O-CB 3.5Å; D602-P606 VanDerWaalsContact O-N 3.09Å; D602-R671 IonicContact OD2-CZ 3.22Å; D602-R671 IonicContact OD2-NE 2.6Å; D602-R671 PolarHBondContact OD2-NE 3.46Å; D602-R671 IonicContact OD2-NH2 2.7Å; D602-R671 PolarHBondContact OD2-NH2 3.29Å
603	I	86.2	Confident	90.9	Very high	158 Å²	158	42.3 Å²	42.3	81%	0.81	24%	0.238	S	C	*	.	S	Bend	trans	-67.6	-28.5	-179.8	-58.3	171.4	0	0	0	112.6	D601	D601-I603 PolarHBondContact O-N 3.24Å
604	V	86.3	Confident	89.2	Confident	98 Å²	98	42.4 Å²	42.4	59%	0.594	24%	0.239	S	C	*	.	S	Bend	trans	-85.3	-35.5	-177.9	-174	0	0	0	0	110.9	P505 D602	P505-V604 HydrophobicContact CB-CG1 4.41Å; P505-V604 HydrophobicContact CG-CG1 3.83Å; D602-V604 VanDerWaalsContact C-N 3.32Å; D602-V604 PolarHBondContact O-N 3.17Å; D602-V604 WeakPolarHBondContact OD1-CA 3.41Å; D602-V604 WeakPolarHBondContact OD1-CB 3.43Å; D602-V604 PolarHBondContact OD1-N 3.19Å
605	A	90.3	Very high	87.5	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.253	C	S	.	.			trans	-135	71	-177.9	0	0	0	0	0	111.3	P505 D602 C607 R671	P505-A605 HydrophobicContact CB-CB 4.15Å; D602-A605 CarbonylContact O-C 3.58Å; D602-A605 PolarHBondContact OD1-N 3.09Å; A605-C607 PolarHBondContact O-N 3.35Å; A605-R671 HydrophobicContact CB-CG 3.85Å
606	P	93.2	Very high	85.3	Confident	64 Å²	64	48.5 Å²	48.5	42%	0.416	26%	0.26	S	S	.	.			trans	-74.8	35.2	-173.5	32.6	-38.4	0	0	0	113.4	D602 L646	D602-P606 WeakPolarHBondContact O-CA 3.18Å; D602-P606 WeakPolarHBondContact O-CB 3.5Å; D602-P606 VanDerWaalsContact O-N 3.09Å; P606-L646 PolarHBondContact O-N 3.32Å
607	C	95	Very high	83	Confident	4 Å²	4	55 Å²	55	3%	0.027	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	157.1	-176.4	43.7	0	0	0	0	112.7	A605 A643 V644 I664 F669 C670 R671	A605-C607 PolarHBondContact O-N 3.35Å; C607-A643 HydrophobicContact CB-CB 4.18Å; C607-V644 CarbonylContact C-O 3.36Å; C607-V644 WeakPolarHBondContact CA-O 3.38Å; C607-V644 WeakPolarHBondContact CB-O 3.46Å; C607-I664 HydrophobicContact CB-CD1 3.55Å; C607-F669 PolarHBondContact SG-O 2.93Å; C607-F669 VanDerWaalsContact SG-O 3.36Å; C607-C670 HydrophobicContact CB-CB 3.82Å; C607-C670 WeakPolarHBondContact CB-SG 3.24Å; C607-C670 CarbonylContact O-C 3.29Å; C607-C670 WeakPolarHBondContact O-CA 3.29Å; C607-C670 VanDerWaalsContact O-CB 3.28Å; C607-C670 WeakPolarHBondContact O-CB 3.34Å; C607-C670 WeakPolarHBondContact SG-CA 3.32Å; C607-C670 WeakPolarHBondContact SG-CB 3.12Å; C607-C670 CovalentContact SG-SG 2.03Å; C607-C670 PolarHBondContact SG-SG 2.82Å; C607-R671 PolarHBondContact O-N 3.37Å
608	L	95.8	Very high	80.7	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	124.9	169	-55.3	172.9	0	0	0	109.2	L591 I599 A643 V644 L646 L655 R671 L673	L591-L608 HydrophobicContact CD2-CD1 4.1Å; I599-L608 HydrophobicContact CD1-CD2 3.85Å; L608-A643 CarbonylContact O-C 3.45Å; L608-A643 WeakPolarHBondContact O-CA 3.02Å; L608-A643 VanDerWaalsContact O-CB 3.28Å; L608-A643 WeakPolarHBondContact O-CB 3.13Å; L608-V644 HydrophobicContact CB-CB 4.2Å; L608-V644 PolarHBondContact N-O 3.33Å; L608-V644 PolarHBondContact O-N 2.92Å; L608-L646 HydrophobicContact CD1-CD1 4.41Å; L608-L646 HydrophobicContact CD1-CD2 4.36Å; L608-L646 HydrophobicContact CD2-CD1 3.85Å; L608-L646 HydrophobicContact CG-CD1 3.84Å; L608-L646 HydrophobicContact CG-CD2 4.47Å; L608-L646 HydrophobicContact CG-CG 4.22Å; L608-L655 HydrophobicContact CD1-CD1 4.38Å; L608-L655 HydrophobicContact CD1-CD2 4.28Å; L608-R671 CarbonylContact C-O 3.52Å; L608-R671 VanDerWaalsContact CA-O 3.28Å; L608-R671 WeakPolarHBondContact CA-O 3.29Å; L608-R671 HydrophobicContact CD2-CB 3.96Å; L608-L673 HydrophobicContact CD1-CD1 3.85Å; L608-L673 HydrophobicContact CD1-CG 4.1Å; L608-L673 HydrophobicContact CD2-CD2 4.36Å; L608-L673 HydrophobicContact CD2-CG 4.28Å
609	W	95.2	Very high	78.1	Confident	1 Å²	1	57.2 Å²	57.2	0%	0.004	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	135.8	168.2	-69.4	129.9	0	0	0	109.9	L506 R507 L544 W632 A643 I664 C670 R671	L506-W609 PolarHBondContact O-NE1 3.47Å; L506-W609 VanDerWaalsContact O-NE1 3.08Å; R507-W609 PolarHBondContact O-NE1 3.23Å; L544-W609 HydrophobicContact CD2-CB 4Å; L544-W609 WeakPolarHBondContact CD2-O 3.43Å; W609-W632 HydrophobicContact CB-CH2 3.8Å; W609-W632 HydrophobicContact CB-CZ3 3.88Å; W609-W632 HydrophobicContact CD2-CH2 4.24Å; W609-W632 AromaticContact CD2-CZ3 3.69Å; W609-W632 HydrophobicContact CD2-CZ3 3.69Å; W609-W632 AromaticContact CE3-CH2 3.98Å; W609-W632 HydrophobicContact CE3-CH2 3.98Å; W609-W632 AromaticContact CE3-CZ3 3.66Å; W609-W632 HydrophobicContact CE3-CZ3 3.66Å; W609-W632 HydrophobicContact CG-CH2 4.21Å; W609-W632 AromaticContact CG-CZ3 3.81Å; W609-W632 HydrophobicContact CG-CZ3 3.81Å; W609-W632 HydrophobicContact CZ3-CZ3 4.44Å; W609-A643 HydrophobicContact CE3-CB 3.85Å; W609-A643 HydrophobicContact CZ3-CB 4.07Å; W609-I664 HydrophobicContact CH2-CB 4.14Å; W609-I664 HydrophobicContact CH2-CG2 4.05Å; W609-I664 HydrophobicContact CZ3-CB 4.05Å; W609-I664 HydrophobicContact CZ3-CG2 4.44Å; W609-C670 HydrophobicContact CD2-CB 3.85Å; W609-C670 HydrophobicContact CG-CB 3.89Å; W609-C670 HydrophobicContact CZ2-CB 4.28Å; W609-R671 PolarHBondContact N-O 3.41Å
610	I	93.4	Very high	76.4	Confident	4 Å²	4	60.2 Å²	60.2	2%	0.021	33%	0.328	C	S	.	.			trans	-138.3	-33.4	175.7	53.2	159.5	0	0	0	113.9	S545 M551 L642 V644 F656 F661	S545-I610 PolarHBondContact N-O 3.06Å; M551-I610 HydrophobicContact SD-CB 4.3Å; M551-I610 HydrophobicContact SD-CG2 4.19Å; I610-L642 HydrophobicContact CD1-CD2 3.81Å; I610-L642 HydrophobicContact CD1-CG 4.15Å; I610-L642 HydrophobicContact CG1-CD2 4.25Å; I610-L642 HydrophobicContact CG1-CG 4.24Å; I610-L642 WeakPolarHBondContact CG1-O 3.41Å; I610-L642 PolarHBondContact N-O 3.03Å; I610-V644 HydrophobicContact CD1-CG2 3.68Å; I610-V644 HydrophobicContact CG1-CG2 4.01Å; I610-V644 HydrophobicContact CG2-CG2 3.75Å; I610-F656 HydrophobicContact CG2-CE1 3.95Å; I610-F656 HydrophobicContact CG2-CZ 3.95Å; I610-F661 HydrophobicContact CD1-CD1 3.62Å; I610-F661 HydrophobicContact CD1-CE1 3.31Å; I610-F661 HydrophobicContact CD1-CG 4.45Å; I610-F661 HydrophobicContact CD1-CZ 3.93Å
611	G	90	Very high	75	Confident	4 Å²	4	61.6 Å²	61.6	4%	0.041	33%	0.329	C	S	.	.			trans	75.5	141.8	-177.3	0	0	0	0	0	113.9	W632 L642	G611-W632 VanDerWaalsContact CA-CZ2 3.45Å; G611-L642 PolarHBondContact N-O 2.8Å
612	Q	85.3	Confident	73.7	Confident	37 Å²	37	62.4 Å²	62.4	17%	0.173	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-74.8	132	174.7	177.1	58.6	47.2	0	0	110.1	F623 A624 S627 K628 L642	Q612-F623 HydrophobicContact CG-CD1 4.01Å; Q612-F623 HydrophobicContact CG-CE1 3.94Å; Q612-A624 HydrophobicContact CB-CB 4.42Å; Q612-A624 HydrophobicContact CG-CB 3.9Å; Q612-S627 PolarHBondContact N-O 2.95Å; Q612-K628 WeakPolarHBondContact O-CE 3.41Å; Q612-L642 HydrophobicContact CB-CB 4.28Å; Q612-L642 HydrophobicContact CB-CD2 4.08Å
613	K	74.9	Confident	72.8	Confident	80 Å²	80	66.1 Å²	66.1	35%	0.348	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-76	136.9	174.4	65.7	-174.2	179.5	-166.8	0	111.8	N550 D552	N550-K613 HydrophobicContact CB-CB 4.5Å; D552-K613 IonicContact OD1-NZ 2.64Å; D552-K613 IonicContact OD2-NZ 3.72Å; D552-K613 PolarHBondContact OD2-NZ 3.42Å
614	P	60	Low	72	Confident	9 Å²	9	58.6 Å²	58.6	6%	0.058	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-63.7	138.7	172.2	26.6	-34.6	0	0	0	111.4	N550 Y616 A624	N550-P614 VanDerWaalsContact OD1-CD 3.25Å; N550-P614 WeakPolarHBondContact OD1-CD 3.25Å; N550-P614 WeakPolarHBondContact OD1-CG 3.32Å; P614-Y616 HydrophobicContact CB-CE1 4.35Å; P614-Y616 HydrophobicContact CB-CE2 4.41Å; P614-Y616 HydrophobicContact CG-CE1 4.47Å; P614-Y616 HydrophobicContact CG-CE2 4.03Å; P614-A624 HydrophobicContact CB-CB 4.24Å
615	I	55.9	Low	71.1	Confident	61 Å²	61	54.6 Å²	54.6	31%	0.313	28%	0.283	S	S	.	.			trans	-111.2	87	177.9	-54.1	175.7	0	0	0	108.3	L617 N618 D620	I615-L617 PolarHBondContact O-N 2.81Å; I615-N618 HydrophobicContact CG2-CB 4.02Å; I615-N618 PolarHBondContact O-N 3.09Å; I615-D620 HydrophobicContact CB-CB 4.16Å; I615-D620 HydrophobicContact CD1-CB 4.28Å; I615-D620 HydrophobicContact CG1-CB 4.46Å
616	Y	47.3	Very low	70.5	Confident	161 Å²	161	60 Å²	60	63%	0.631	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-11.4	-175.4	-59.6	-74.7	0	0	0	115.5	P614	P614-Y616 HydrophobicContact CB-CE1 4.35Å; P614-Y616 HydrophobicContact CB-CE2 4.41Å; P614-Y616 HydrophobicContact CG-CE1 4.47Å; P614-Y616 HydrophobicContact CG-CE2 4.03Å
617	L	44.4	Very low	70.2	Confident	162 Å²	162	57.1 Å²	57.1	85%	0.848	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-21.1	-176.7	-71.6	165.4	0	0	0	114.4	I615	I615-L617 PolarHBondContact O-N 2.81Å
618	N	46	Very low	69.9	Low	122 Å²	122	57.1 Å²	57.1	65%	0.652	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122	-13.1	-164.3	-69.8	3.4	0	0	0	114.8	I615 D620	I615-N618 HydrophobicContact CG2-CB 4.02Å; I615-N618 PolarHBondContact O-N 3.09Å; N618-D620 VanDerWaalsContact CB-OD2 3.27Å; N618-D620 WeakPolarHBondContact CB-OD2 3.48Å
619	G	41	Very low	69.5	Low	62 Å²	62	57.1 Å²	57.1	64%	0.639	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	93	-0.3	-175.9	0	0	0	0	0	115.3	Y621	G619-Y621 PolarHBondContact O-N 2.81Å
620	D	57.5	Low	68.8	Low	64 Å²	64	62 Å²	62	34%	0.342	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	18.4	179.1	-50	-64.6	0	0	0	114.5	I615 N618 A624	I615-D620 HydrophobicContact CB-CB 4.16Å; I615-D620 HydrophobicContact CD1-CB 4.28Å; I615-D620 HydrophobicContact CG1-CB 4.46Å; N618-D620 VanDerWaalsContact CB-OD2 3.27Å; N618-D620 WeakPolarHBondContact CB-OD2 3.48Å; D620-A624 WeakPolarHBondContact O-CB 3.17Å; D620-A624 PolarHBondContact O-N 2.83Å
621	Y	61.8	Low	68.1	Low	69 Å²	69	63 Å²	63	27%	0.271	31%	0.313	S	S	.	.	H	α-helix	trans	-63.5	-44.4	-179	-179.4	-79.6	0	0	0	111.8	A252 D253 G619 A624 A625	A252-Y621 HydrophobicContact CB-CE1 4.4Å; A252-Y621 HydrophobicContact CB-CE2 4.29Å; A252-Y621 WeakPolarHBondContact CB-OH 3.47Å; D253-Y621 PolarHBondContact N-OH 3.15Å; D253-Y621 WeakPolarHBondContact OD1-CE2 3.43Å; D253-Y621 PolarHBondContact OD1-OH 2.87Å; G619-Y621 PolarHBondContact O-N 2.81Å; Y621-A624 WeakPolarHBondContact O-CB 3.44Å; Y621-A624 PolarHBondContact O-N 2.89Å; Y621-A625 PolarHBondContact O-N 2.92Å
622	E	62	Low	67.9	Low	132 Å²	132	62.9 Å²	62.9	62%	0.617	31%	0.311	S	S	*	.	H	α-helix	trans	-60.8	-48.7	178.2	-171.8	-170.5	163.7	0	0	111	A624 A625 Q626	E622-A624 VanDerWaalsContact C-N 3.28Å; E622-A624 PolarHBondContact O-N 2.81Å; E622-A625 PolarHBondContact O-N 3.43Å; E622-Q626 WeakPolarHBondContact O-CB 3.46Å; E622-Q626 WeakPolarHBondContact O-CG 3.42Å; E622-Q626 PolarHBondContact O-N 2.81Å; E622-Q626 PolarHBondContact OE1-NE2 2.9Å
623	F	67.9	Low	67.6	Low	96 Å²	96	62.2 Å²	62.2	42%	0.421	31%	0.308	S	S	.	.	H	α-helix	trans	-60	-38.4	175.7	178.2	-102	0	0	0	111.9	Q612 S627 L663	Q612-F623 HydrophobicContact CG-CD1 4.01Å; Q612-F623 HydrophobicContact CG-CE1 3.94Å; F623-S627 WeakPolarHBondContact O-CB 3.35Å; F623-S627 PolarHBondContact O-N 3.05Å; F623-S627 PolarHBondContact O-OG 3.27Å; F623-L663 HydrophobicContact CE2-CD1 4.28Å; F623-L663 HydrophobicContact CZ-CD1 4.46Å
624	A	68.8	Low	67.8	Low	0 Å²	0	59 Å²	59	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-64	-50.5	175.2	0	0	0	0	0	112	Q612 P614 D620 Y621 E622 Q626 S627 K628	Q612-A624 HydrophobicContact CB-CB 4.42Å; Q612-A624 HydrophobicContact CG-CB 3.9Å; P614-A624 HydrophobicContact CB-CB 4.24Å; D620-A624 WeakPolarHBondContact O-CB 3.17Å; D620-A624 PolarHBondContact O-N 2.83Å; Y621-A624 WeakPolarHBondContact O-CB 3.44Å; Y621-A624 PolarHBondContact O-N 2.89Å; E622-A624 VanDerWaalsContact C-N 3.28Å; E622-A624 PolarHBondContact O-N 2.81Å; A624-Q626 PolarHBondContact O-N 2.86Å; A624-S627 PolarHBondContact O-N 3.39Å; A624-S627 VanDerWaalsContact O-N 3.1Å; A624-K628 VanDerWaalsContact C-CE 3.42Å; A624-K628 WeakPolarHBondContact O-CE 3.29Å
625	A	67.5	Low	69	Low	15 Å²	15	61.3 Å²	61.3	12%	0.124	31%	0.31	C	S	.	.	H	α-helix	trans	-59.4	-43.9	178.4	0	0	0	0	0	112.5	Y621 E622 S627	Y621-A625 PolarHBondContact O-N 2.92Å; E622-A625 PolarHBondContact O-N 3.43Å; A625-S627 PolarHBondContact O-N 2.6Å
626	Q	78	Confident	70.4	Confident	114 Å²	114	65 Å²	65	53%	0.533	32%	0.321	S	S	.	.	H	α-helix	trans	-64.2	-22.5	175.7	-72.1	176	5.4	0	0	113.5	E622 A624	E622-Q626 WeakPolarHBondContact O-CB 3.46Å; E622-Q626 WeakPolarHBondContact O-CG 3.42Å; E622-Q626 PolarHBondContact O-N 2.81Å; E622-Q626 PolarHBondContact OE1-NE2 2.9Å; A624-Q626 PolarHBondContact O-N 2.86Å
627	S	87.3	Confident	72.2	Confident	3 Å²	3	60.6 Å²	60.6	2%	0.021	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	31.4	-175.8	-59.3	0	0	0	0	113.4	Q612 F623 A624 A625 L642 L663	Q612-S627 PolarHBondContact N-O 2.95Å; F623-S627 WeakPolarHBondContact O-CB 3.35Å; F623-S627 PolarHBondContact O-N 3.05Å; F623-S627 PolarHBondContact O-OG 3.27Å; A624-S627 PolarHBondContact O-N 3.39Å; A624-S627 VanDerWaalsContact O-N 3.1Å; A625-S627 PolarHBondContact O-N 2.6Å; S627-L642 PolarHBondContact O-N 3.02Å; S627-L663 WeakPolarHBondContact OG-CD2 3.45Å
628	K	87	Confident	74.1	Confident	3 Å²	3	55.5 Å²	55.5	1%	0.013	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-141.1	21.6	-175.2	-84.5	178.8	-77.2	159.7	0	114.2	T546 D547 Q612 A624 R630 N631 W632 N640	T546-K628 VanDerWaalsContact C-CD 3.46Å; T546-K628 VanDerWaalsContact C-NZ 3.34Å; T546-K628 VanDerWaalsContact O-CD 3.3Å; T546-K628 WeakPolarHBondContact O-CD 3.45Å; T546-K628 PolarHBondContact O-NZ 3.47Å; D547-K628 VanDerWaalsContact CA-NZ 3.28Å; D547-K628 IonicContact OD1-NZ 3.87Å; D547-K628 PolarHBondContact OD1-NZ 3.34Å; Q612-K628 WeakPolarHBondContact O-CE 3.41Å; A624-K628 VanDerWaalsContact C-CE 3.42Å; A624-K628 WeakPolarHBondContact O-CE 3.29Å; K628-R630 VanDerWaalsContact C-N 3.26Å; K628-R630 PolarHBondContact O-N 3.17Å; K628-N631 PolarHBondContact O-N 2.74Å; K628-N631 VanDerWaalsContact O-N 3.07Å; K628-W632 HydrophobicContact CG-CZ2 4.38Å; K628-W632 PolarHBondContact O-N 2.87Å; K628-N640 PolarHBondContact N-O 3.5Å
629	C	88.4	Confident	76	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	50.9	44.5	-177.7	-64.7	0	0	0	0	113.7	G508 W632 Q633 S634 N640 G641 C666	G508-C629 VanDerWaalsContact CA-SG 3.57Å; G508-C629 VanDerWaalsContact O-CB 3.29Å; G508-C629 WeakPolarHBondContact O-CB 3.46Å; C629-W632 HydrophobicContact CB-CE3 4.1Å; C629-W632 HydrophobicContact CB-CZ3 4.45Å; C629-W632 PolarHBondContact O-N 2.83Å; C629-Q633 PolarHBondContact O-N 3.19Å; C629-S634 PolarHBondContact O-N 2.89Å; C629-N640 PolarHBondContact N-O 3.07Å; C629-G641 PolarHBondContact SG-N 2.96Å; C629-G641 VanDerWaalsContact SG-N 3.37Å; C629-C666 WeakPolarHBondContact CA-SG 3.4Å; C629-C666 HydrophobicContact CB-CB 3.86Å; C629-C666 WeakPolarHBondContact CB-SG 3.03Å; C629-C666 VanDerWaalsContact SG-CA 3.58Å; C629-C666 WeakPolarHBondContact SG-CB 3.26Å; C629-C666 CovalentContact SG-SG 2.03Å; C629-C666 PolarHBondContact SG-SG 2.9Å
630	R	80.8	Confident	78.5	Confident	105 Å²	105	51 Å²	51	40%	0.396	26%	0.259	S	S	.	.	H	α-helix	trans	48.4	59.7	-171	-51.6	-167.8	-165.4	-173.4	4.2	112.5	G248 K628 W632 E639	G248-R630 WeakPolarHBondContact O-CD 3.42Å; G248-R630 PolarHBondContact O-NH1 2.83Å; K628-R630 VanDerWaalsContact C-N 3.26Å; K628-R630 PolarHBondContact O-N 3.17Å; R630-W632 PolarHBondContact O-N 2.86Å; R630-E639 WeakPolarHBondContact CG-OE2 3.32Å; R630-E639 IonicContact CZ-OE1 3.43Å; R630-E639 IonicContact CZ-OE2 3.62Å; R630-E639 IonicContact NE-OE1 3.71Å; R630-E639 PolarHBondContact NE-OE1 2.83Å; R630-E639 IonicContact NE-OE2 3.43Å; R630-E639 PolarHBondContact NE-OE2 3.41Å; R630-E639 IonicContact NH2-OE1 3.98Å; R630-E639 PolarHBondContact NH2-OE1 3.25Å
631	N	77.5	Confident	80.1	Confident	25 Å²	25	47.9 Å²	47.9	13%	0.134	24%	0.242	C	C	.	.	H	α-helix	trans	57.5	46.1	-176	-159.2	20.5	0	0	0	113.8	T546 D547 K628 Q633	T546-N631 WeakPolarHBondContact CB-OD1 3.49Å; D547-N631 HydrophobicContact CB-CB 4.22Å; D547-N631 VanDerWaalsContact CG-CB 3.49Å; D547-N631 PolarHBondContact N-OD1 2.97Å; D547-N631 VanDerWaalsContact OD2-CB 3.29Å; D547-N631 WeakPolarHBondContact OD2-CB 3.43Å; K628-N631 PolarHBondContact O-N 2.74Å; K628-N631 VanDerWaalsContact O-N 3.07Å; N631-Q633 VanDerWaalsContact C-N 3.34Å; N631-Q633 WeakPolarHBondContact O-CG 3.27Å; N631-Q633 PolarHBondContact O-N 3.43Å; N631-Q633 PolarHBondContact O-NE2 2.83Å
632	W	86.7	Confident	81.7	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	61.1	32.6	176.6	-52.1	112.2	0	0	0	115.3	G508 D509 L510 A519 L544 S545 W609 G611 K628 C629 R630	G508-W632 CarbonylContact O-C 3.52Å; G508-W632 WeakPolarHBondContact O-CA 3.38Å; D509-W632 CarbonylContact C-O 3.57Å; D509-W632 VanDerWaalsContact CA-O 3.3Å; D509-W632 WeakPolarHBondContact CA-O 3.45Å; L510-W632 HydrophobicContact CB-CB 4.03Å; L510-W632 HydrophobicContact CD1-CB 3.91Å; L510-W632 HydrophobicContact CD1-CD2 3.62Å; L510-W632 HydrophobicContact CD1-CE3 3.65Å; L510-W632 HydrophobicContact CD1-CG 3.76Å; L510-W632 HydrophobicContact CD1-CZ3 4.39Å; L510-W632 HydrophobicContact CG-CB 3.94Å; L510-W632 HydrophobicContact CG-CD2 4.38Å; L510-W632 HydrophobicContact CG-CE3 4.17Å; L510-W632 HydrophobicContact CG-CG 4.33Å; L510-W632 PolarHBondContact N-O 3.29Å; A519-W632 HydrophobicContact CB-CB 3.79Å; A519-W632 WeakPolarHBondContact CB-O 3.39Å; L544-W632 HydrophobicContact CD2-CZ2 4.04Å; S545-W632 PolarHBondContact O-NE1 2.91Å; W609-W632 HydrophobicContact CB-CH2 3.8Å; W609-W632 HydrophobicContact CB-CZ3 3.88Å; W609-W632 HydrophobicContact CD2-CH2 4.24Å; W609-W632 AromaticContact CD2-CZ3 3.69Å; W609-W632 HydrophobicContact CD2-CZ3 3.69Å; W609-W632 AromaticContact CE3-CH2 3.98Å; W609-W632 HydrophobicContact CE3-CH2 3.98Å; W609-W632 AromaticContact CE3-CZ3 3.66Å; W609-W632 HydrophobicContact CE3-CZ3 3.66Å; W609-W632 HydrophobicContact CG-CH2 4.21Å; W609-W632 AromaticContact CG-CZ3 3.81Å; W609-W632 HydrophobicContact CG-CZ3 3.81Å; W609-W632 HydrophobicContact CZ3-CZ3 4.44Å; G611-W632 VanDerWaalsContact CA-CZ2 3.45Å; K628-W632 HydrophobicContact CG-CZ2 4.38Å; K628-W632 PolarHBondContact O-N 2.87Å; C629-W632 HydrophobicContact CB-CE3 4.1Å; C629-W632 HydrophobicContact CB-CZ3 4.45Å; C629-W632 PolarHBondContact O-N 2.83Å; R630-W632 PolarHBondContact O-N 2.86Å
633	Q	79.1	Confident	83.3	Confident	23 Å²	23	38.9 Å²	38.9	11%	0.107	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-120.1	6.6	-172.3	-74.9	161.8	59.9	0	0	113.7	Y246 G247 A519 C629 N631	Y246-Q633 WeakPolarHBondContact O-CB 3.39Å; G247-Q633 WeakPolarHBondContact CA-O 2.95Å; A519-Q633 HydrophobicContact CB-CG 3.97Å; C629-Q633 PolarHBondContact O-N 3.19Å; N631-Q633 VanDerWaalsContact C-N 3.34Å; N631-Q633 WeakPolarHBondContact O-CG 3.27Å; N631-Q633 PolarHBondContact O-N 3.43Å; N631-Q633 PolarHBondContact O-NE2 2.83Å
634	S	78.9	Confident	84.6	Confident	14 Å²	14	34.3 Å²	34.3	10%	0.098	18%	0.183	C	C	.	.			trans	-130.7	136.6	-173.8	178.9	0	0	0	0	111.4	G508 D509 C629 Y636 E639 C666	G508-S634 CarbonylContact C-O 3.49Å; G508-S634 WeakPolarHBondContact CA-O 3.27Å; D509-S634 PolarHBondContact N-O 2.93Å; C629-S634 PolarHBondContact O-N 2.89Å; S634-Y636 WeakPolarHBondContact OG-CB 3.47Å; S634-Y636 PolarHBondContact OG-N 3.26Å; S634-Y636 VanDerWaalsContact OG-N 3.08Å; S634-E639 WeakPolarHBondContact CB-OE2 3.39Å; S634-E639 PolarHBondContact OG-OE2 2.83Å; S634-C666 WeakPolarHBondContact O-CB 3.48Å
635	T	85.8	Confident	85.8	Confident	56 Å²	56	34.8 Å²	34.8	34%	0.344	19%	0.186	S	C	.	.			trans	-104.7	12.7	165.2	69.8	0	0	0	0	112.7	R507 D509 C666 S667	R507-T635 HydrophobicContact CB-CG2 3.64Å; R507-T635 HydrophobicContact CG-CG2 4.43Å; D509-T635 HydrophobicContact CB-CG2 3.5Å; T635-C666 WeakPolarHBondContact CA-O 3.37Å; T635-S667 WeakPolarHBondContact O-CA 3.28Å; T635-S667 PolarHBondContact O-N 2.76Å
636	Y	84	Confident	87	Confident	138 Å²	138	34.6 Å²	34.6	54%	0.541	18%	0.183	S	C	.	.			trans	-64.5	130	-171.4	-178.3	-117.2	0	0	0	111.7	S634 G638 E639	S634-Y636 WeakPolarHBondContact OG-CB 3.47Å; S634-Y636 PolarHBondContact OG-N 3.26Å; S634-Y636 VanDerWaalsContact OG-N 3.08Å; Y636-G638 VanDerWaalsContact C-N 3.26Å; Y636-G638 PolarHBondContact O-N 2.84Å; Y636-E639 HydrophobicContact CD1-CB 4.43Å; Y636-E639 HydrophobicContact CD1-CG 4.03Å; Y636-E639 WeakPolarHBondContact CD1-OE1 3.32Å; Y636-E639 PolarHBondContact O-N 3.1Å; Y636-E639 VanDerWaalsContact O-N 3.15Å
637	P	85.6	Confident	87.6	Confident	69 Å²	69	32.5 Å²	32.5	45%	0.448	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-31.1	-176.4	-27.1	34.9	0	0	0	115.1	E639 S665	P637-E639 VanDerWaalsContact C-N 3.28Å; P637-E639 PolarHBondContact O-N 2.98Å; P637-S665 WeakPolarHBondContact CA-OG 3.48Å; P637-S665 PolarHBondContact O-OG 3.25Å
638	G	83.7	Confident	87.8	Confident	55 Å²	55	33.8 Å²	33.8	57%	0.567	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-3.1	-180	0	0	0	0	0	115.2	Y636	Y636-G638 VanDerWaalsContact C-N 3.26Å; Y636-G638 PolarHBondContact O-N 2.84Å
639	E	87.7	Confident	87.9	Confident	30 Å²	30	36.3 Å²	36.3	14%	0.14	20%	0.201	C	C	.	.			trans	-107.8	157.6	176.6	-79.1	150.5	-149.5	0	0	111.4	R630 S634 Y636 P637 S665 C666	R630-E639 WeakPolarHBondContact CG-OE2 3.32Å; R630-E639 IonicContact CZ-OE1 3.43Å; R630-E639 IonicContact CZ-OE2 3.62Å; R630-E639 IonicContact NE-OE1 3.71Å; R630-E639 PolarHBondContact NE-OE1 2.83Å; R630-E639 IonicContact NE-OE2 3.43Å; R630-E639 PolarHBondContact NE-OE2 3.41Å; R630-E639 IonicContact NH2-OE1 3.98Å; R630-E639 PolarHBondContact NH2-OE1 3.25Å; S634-E639 WeakPolarHBondContact CB-OE2 3.39Å; S634-E639 PolarHBondContact OG-OE2 2.83Å; Y636-E639 HydrophobicContact CD1-CB 4.43Å; Y636-E639 HydrophobicContact CD1-CG 4.03Å; Y636-E639 WeakPolarHBondContact CD1-OE1 3.32Å; Y636-E639 PolarHBondContact O-N 3.1Å; Y636-E639 VanDerWaalsContact O-N 3.15Å; P637-E639 VanDerWaalsContact C-N 3.28Å; P637-E639 PolarHBondContact O-N 2.98Å; E639-S665 CarbonylContact O-C 3.56Å; E639-S665 VanDerWaalsContact O-CA 3.28Å; E639-S665 WeakPolarHBondContact O-CA 3.38Å; E639-C666 PolarHBondContact O-N 2.77Å; E639-C666 PolarHBondContact O-SG 2.87Å
640	N	91.8	Very high	87.9	Confident	59 Å²	59	43 Å²	43	32%	0.316	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	151.4	-176.1	-62.1	-78.6	0	0	0	112.7	K628 C629 L663 I664 S665 C666	K628-N640 PolarHBondContact N-O 3.5Å; C629-N640 PolarHBondContact N-O 3.07Å; N640-L663 HydrophobicContact CB-CB 4.12Å; N640-L663 HydrophobicContact CB-CD2 4.47Å; N640-I664 CarbonylContact C-O 3.56Å; N640-I664 VanDerWaalsContact CA-O 3.31Å; N640-I664 WeakPolarHBondContact CA-O 3.42Å; N640-S665 WeakPolarHBondContact OD1-CA 3.31Å; N640-S665 PolarHBondContact OD1-N 3.38Å; N640-C666 VanDerWaalsContact CA-SG 3.53Å; N640-C666 PolarHBondContact N-SG 3.34Å; N640-C666 VanDerWaalsContact N-SG 3.42Å
641	G	91.8	Very high	88.3	Confident	0 Å²	0	45 Å²	45	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	147.7	164.4	0	0	0	0	0	109.6	C629 A643 I664	C629-G641 PolarHBondContact SG-N 2.96Å; C629-G641 VanDerWaalsContact SG-N 3.37Å; G641-A643 PolarHBondContact O-N 2.85Å; G641-I664 PolarHBondContact N-O 2.87Å; G641-I664 PolarHBondContact O-N 3.08Å
642	L	94.5	Very high	88.9	Confident	12 Å²	12	44 Å²	44	6%	0.063	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	127.4	166.3	-167.4	75.6	0	0	0	109.1	I610 G611 Q612 S627 F661 L663	I610-L642 HydrophobicContact CD1-CD2 3.81Å; I610-L642 HydrophobicContact CD1-CG 4.15Å; I610-L642 HydrophobicContact CG1-CD2 4.25Å; I610-L642 HydrophobicContact CG1-CG 4.24Å; I610-L642 WeakPolarHBondContact CG1-O 3.41Å; I610-L642 PolarHBondContact N-O 3.03Å; G611-L642 PolarHBondContact N-O 2.8Å; Q612-L642 HydrophobicContact CB-CB 4.28Å; Q612-L642 HydrophobicContact CB-CD2 4.08Å; S627-L642 PolarHBondContact O-N 3.02Å; L642-F661 HydrophobicContact CD1-CB 4.28Å; L642-L663 HydrophobicContact CB-CD2 4.35Å; L642-L663 HydrophobicContact CD1-CD2 4Å
643	A	95.7	Very high	89.2	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	157.4	178.4	0	0	0	0	0	111.2	C607 L608 W609 G641 F661 K662 I664	C607-A643 HydrophobicContact CB-CB 4.18Å; L608-A643 CarbonylContact O-C 3.45Å; L608-A643 WeakPolarHBondContact O-CA 3.02Å; L608-A643 VanDerWaalsContact O-CB 3.28Å; L608-A643 WeakPolarHBondContact O-CB 3.13Å; W609-A643 HydrophobicContact CE3-CB 3.85Å; W609-A643 HydrophobicContact CZ3-CB 4.07Å; G641-A643 PolarHBondContact O-N 2.85Å; A643-F661 CarbonylContact O-C 3.55Å; A643-F661 WeakPolarHBondContact O-CA 3.39Å; A643-K662 PolarHBondContact N-O 3.01Å; A643-K662 PolarHBondContact O-N 3.42Å; A643-I664 HydrophobicContact CB-CB 4.32Å; A643-I664 HydrophobicContact CB-CD1 3.67Å; A643-I664 HydrophobicContact CB-CG1 3.99Å
644	V	95.3	Very high	89.9	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	126	167.4	-171.9	0	0	0	0	107.3	C607 L608 I610 L655 F656 N660 F661	C607-V644 CarbonylContact C-O 3.36Å; C607-V644 WeakPolarHBondContact CA-O 3.38Å; C607-V644 WeakPolarHBondContact CB-O 3.46Å; L608-V644 HydrophobicContact CB-CB 4.2Å; L608-V644 PolarHBondContact N-O 3.33Å; L608-V644 PolarHBondContact O-N 2.92Å; I610-V644 HydrophobicContact CD1-CG2 3.68Å; I610-V644 HydrophobicContact CG1-CG2 4.01Å; I610-V644 HydrophobicContact CG2-CG2 3.75Å; V644-L655 HydrophobicContact CG1-CD1 3.79Å; V644-L655 HydrophobicContact CG1-CG 4.37Å; V644-L655 VanDerWaalsContact CG1-O 3.3Å; V644-L655 WeakPolarHBondContact CG1-O 3.25Å; V644-F656 HydrophobicContact CG2-CD1 3.58Å; V644-F656 HydrophobicContact CG2-CE1 3.78Å; V644-N660 HydrophobicContact CG1-CB 3.65Å; V644-F661 HydrophobicContact CG2-CD1 4.14Å; V644-F661 HydrophobicContact CG2-CE1 4.09Å
645	S	94	Very high	90.6	Very high	10 Å²	10	45.7 Å²	45.7	7%	0.07	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	142.3	173	60.7	0	0	0	0	112.3	N660 K662	S645-N660 PolarHBondContact N-O 3.42Å; S645-N660 PolarHBondContact OG-O 3.05Å; S645-K662 VanDerWaalsContact CB-NZ 3.3Å; S645-K662 PolarHBondContact OG-NZ 3.21Å
646	L	92.6	Very high	91	Very high	10 Å²	10	43.3 Å²	43.3	5%	0.052	25%	0.248	C	C	.	.	S	Bend	trans	-111.9	143	167.1	-60.8	175.9	0	0	0	108.9	I599 P606 L608 L655	I599-L646 HydrophobicContact CD1-CD1 4.24Å; I599-L646 WeakPolarHBondContact O-CD1 3.15Å; P606-L646 PolarHBondContact O-N 3.32Å; L608-L646 HydrophobicContact CD1-CD1 4.41Å; L608-L646 HydrophobicContact CD1-CD2 4.36Å; L608-L646 HydrophobicContact CD2-CD1 3.85Å; L608-L646 HydrophobicContact CG-CD1 3.84Å; L608-L646 HydrophobicContact CG-CD2 4.47Å; L608-L646 HydrophobicContact CG-CG 4.22Å; L646-L655 HydrophobicContact CD2-CD1 4.21Å
647	P	92.1	Very high	91.4	Very high	71 Å²	71	37 Å²	37	46%	0.461	23%	0.225	S	C	.	.	S	Bend	cis	-66.7	165.4	-7.9	29.6	-35.3	0	0	0	112.8	T600 D601	T600-P647 WeakPolarHBondContact O-CA 3.16Å; D601-P647 WeakPolarHBondContact OD1-CD 3.25Å
648	I	90.1	Very high	91.6	Very high	29 Å²	29	42.5 Å²	42.5	15%	0.149	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-63	135.6	177.4	-66.8	160.2	0	0	0	109.9	K586 P587 D650 A652 L655	K586-I648 HydrophobicContact CD-CG2 4.46Å; P587-I648 VanDerWaalsContact CD-CD1 3.44Å; P587-I648 HydrophobicContact CG-CD1 3.73Å; I648-D650 PolarHBondContact O-N 3.22Å; I648-A652 HydrophobicContact CG2-CB 4.05Å; I648-L655 HydrophobicContact CD1-CB 4.5Å; I648-L655 HydrophobicContact CD1-CD1 3.89Å; I648-L655 HydrophobicContact CG1-CD1 3.71Å
649	V	90.8	Very high	92	Very high	56 Å²	56	44.7 Å²	44.7	34%	0.339	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-64.3	132.1	175.9	178.6	0	0	0	0	110.2	N651 A652 N660	V649-N651 VanDerWaalsContact C-N 3.25Å; V649-N651 PolarHBondContact O-N 2.87Å; V649-N651 VanDerWaalsContact O-N 3.11Å; V649-A652 HydrophobicContact CB-CB 4.32Å; V649-A652 WeakPolarHBondContact O-CB 3.35Å; V649-A652 PolarHBondContact O-N 3.1Å; V649-N660 WeakPolarHBondContact CB-OD1 3.27Å; V649-N660 WeakPolarHBondContact CG2-OD1 3.47Å; V649-N660 PolarHBondContact N-OD1 2.87Å
650	D	87.4	Confident	92.2	Very high	140 Å²	140	43.2 Å²	43.2	75%	0.749	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-42.4	-173.8	-65.8	-57.2	0	0	0	113.7	K586 I648 A652	K586-D650 PolarHBondContact NZ-O 3.46Å; I648-D650 PolarHBondContact O-N 3.22Å; D650-A652 VanDerWaalsContact C-N 3.34Å; D650-A652 PolarHBondContact O-N 3.48Å
651	N	89.4	Confident	92.3	Very high	148 Å²	148	43.5 Å²	43.5	79%	0.791	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.5	8.2	-178.7	-64	-36.3	0	0	0	114.3	V649	V649-N651 VanDerWaalsContact C-N 3.25Å; V649-N651 PolarHBondContact O-N 2.87Å; V649-N651 VanDerWaalsContact O-N 3.11Å
652	A	91	Very high	92.4	Very high	4 Å²	4	48.2 Å²	48.2	3%	0.033	25%	0.249	C	C	.	.			trans	-74.4	134.2	172.8	0	0	0	0	0	110.9	K586 I648 V649 D650 G654 S657 Q659	K586-A652 WeakPolarHBondContact CE-O 2.93Å; I648-A652 HydrophobicContact CG2-CB 4.05Å; V649-A652 HydrophobicContact CB-CB 4.32Å; V649-A652 WeakPolarHBondContact O-CB 3.35Å; V649-A652 PolarHBondContact O-N 3.1Å; D650-A652 VanDerWaalsContact C-N 3.34Å; D650-A652 PolarHBondContact O-N 3.48Å; A652-G654 VanDerWaalsContact C-N 3.27Å; A652-G654 PolarHBondContact O-N 2.89Å; A652-S657 WeakPolarHBondContact CB-OG 3.44Å; A652-Q659 HydrophobicContact CB-CB 4.15Å
653	P	92.7	Very high	92.3	Very high	72 Å²	72	51.5 Å²	51.5	47%	0.468	27%	0.266	S	S	.	.	S	Bend	trans	-68	-24.3	173.7	26.5	-34.7	0	0	0	113.3	R584 S657	R584-P653 CarbonylContact C-O 2.99Å; P653-S657 WeakPolarHBondContact CD-OG 3.3Å
654	G	92.9	Very high	92.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.273	C	S	.	.	S	Bend	trans	-165.3	177	179.8	0	0	0	0	0	114.5	G583 S585 A652 S657 N660	G583-G654 PolarHBondContact O-N 3.45Å; S585-G654 CarbonylContact O-C 3.56Å; S585-G654 WeakPolarHBondContact O-CA 3.39Å; A652-G654 VanDerWaalsContact C-N 3.27Å; A652-G654 PolarHBondContact O-N 2.89Å; G654-S657 WeakPolarHBondContact O-CB 3.46Å; G654-S657 PolarHBondContact O-N 2.66Å; G654-S657 PolarHBondContact O-OG 3.09Å; G654-N660 PolarHBondContact O-ND2 2.78Å
655	L	94.4	Very high	92.1	Very high	1 Å²	1	54 Å²	54	1%	0.005	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-52.7	-175.3	178.1	60.3	0	0	0	111.5	F574 L580 S585 L591 L608 V644 L646 I648 S657 N660	F574-L655 HydrophobicContact CE1-CB 4.31Å; F574-L655 HydrophobicContact CE2-CD2 4.47Å; F574-L655 HydrophobicContact CZ-CB 4.06Å; F574-L655 HydrophobicContact CZ-CD2 3.86Å; L580-L655 HydrophobicContact CD1-CB 4.1Å; L580-L655 HydrophobicContact CD1-CD2 4.04Å; L580-L655 HydrophobicContact CD1-CG 4.38Å; S585-L655 PolarHBondContact O-N 3.12Å; L591-L655 HydrophobicContact CD2-CD2 4.49Å; L608-L655 HydrophobicContact CD1-CD1 4.38Å; L608-L655 HydrophobicContact CD1-CD2 4.28Å; V644-L655 HydrophobicContact CG1-CD1 3.79Å; V644-L655 HydrophobicContact CG1-CG 4.37Å; V644-L655 VanDerWaalsContact CG1-O 3.3Å; V644-L655 WeakPolarHBondContact CG1-O 3.25Å; L646-L655 HydrophobicContact CD2-CD1 4.21Å; I648-L655 HydrophobicContact CD1-CB 4.5Å; I648-L655 HydrophobicContact CD1-CD1 3.89Å; I648-L655 HydrophobicContact CG1-CD1 3.71Å; L655-S657 VanDerWaalsContact C-N 3.25Å; L655-S657 PolarHBondContact O-N 2.74Å; L655-N660 PolarHBondContact O-ND2 3.42Å
656	F	93.6	Very high	91.9	Very high	6 Å²	6	53.6 Å²	53.6	3%	0.026	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	37.4	177.8	-61.2	-11.5	0	0	0	113.1	L543 M551 L580 G583 I610 V644 F661 L673	L543-F656 HydrophobicContact CD2-CE2 3.86Å; L543-F656 HydrophobicContact CD2-CZ 3.83Å; L543-F656 HydrophobicContact CG-CE2 4.32Å; L543-F656 HydrophobicContact CG-CZ 4.42Å; M551-F656 HydrophobicContact CE-CD2 3.51Å; M551-F656 HydrophobicContact CE-CE2 3.53Å; M551-F656 HydrophobicContact SD-CD2 4.13Å; M551-F656 HydrophobicContact SD-CE2 3.5Å; M551-F656 WeakPolarHBondContact SD-CE2 3.48Å; M551-F656 HydrophobicContact SD-CZ 4.12Å; L580-F656 HydrophobicContact CD1-CB 4.5Å; L580-F656 HydrophobicContact CD1-CD1 3.96Å; L580-F656 HydrophobicContact CD1-CD2 3.61Å; L580-F656 HydrophobicContact CD1-CE1 4.06Å; L580-F656 HydrophobicContact CD1-CE2 3.73Å; L580-F656 HydrophobicContact CD1-CG 3.74Å; L580-F656 HydrophobicContact CD1-CZ 3.96Å; L580-F656 HydrophobicContact CD2-CE2 4.12Å; L580-F656 HydrophobicContact CD2-CZ 4.41Å; L580-F656 HydrophobicContact CG-CD2 3.83Å; L580-F656 HydrophobicContact CG-CE2 3.77Å; L580-F656 HydrophobicContact CG-CG 4.45Å; L580-F656 HydrophobicContact CG-CZ 4.34Å; L580-F656 WeakPolarHBondContact O-CB 3.41Å; G583-F656 WeakPolarHBondContact CA-O 3.28Å; I610-F656 HydrophobicContact CG2-CE1 3.95Å; I610-F656 HydrophobicContact CG2-CZ 3.95Å; V644-F656 HydrophobicContact CG2-CD1 3.58Å; V644-F656 HydrophobicContact CG2-CE1 3.78Å; F656-F661 HydrophobicContact CB-CE1 3.88Å; F656-F661 HydrophobicContact CB-CZ 3.98Å; F656-F661 WeakPolarHBondContact O-CZ 3.41Å; F656-L673 HydrophobicContact CE1-CD1 4.38Å; F656-L673 HydrophobicContact CZ-CD1 4.11Å
657	S	93	Very high	91.8	Very high	6 Å²	6	54.6 Å²	54.6	4%	0.042	29%	0.286	C	S	.	.	S	Bend	trans	-83.9	155.7	172.2	91.7	0	0	0	0	111.9	A652 P653 G654 L655 Q659 N660 F661	A652-S657 WeakPolarHBondContact CB-OG 3.44Å; P653-S657 WeakPolarHBondContact CD-OG 3.3Å; G654-S657 WeakPolarHBondContact O-CB 3.46Å; G654-S657 PolarHBondContact O-N 2.66Å; G654-S657 PolarHBondContact O-OG 3.09Å; L655-S657 VanDerWaalsContact C-N 3.25Å; L655-S657 PolarHBondContact O-N 2.74Å; S657-Q659 VanDerWaalsContact CB-OE1 3.32Å; S657-Q659 PolarHBondContact O-N 3.44Å; S657-Q659 PolarHBondContact OG-OE1 2.91Å; S657-N660 PolarHBondContact O-N 3.13Å; S657-F661 PolarHBondContact O-N 3.16Å
658	K	89.8	Confident	91.8	Very high	183 Å²	183	57.2 Å²	57.2	80%	0.796	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-23.7	-179.3	-65	-173.3	177.9	-174.6	0	114.4
659	Q	90.9	Very high	91.9	Very high	101 Å²	101	60 Å²	60	47%	0.472	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-28.2	179.1	-66.2	79.2	3.5	0	0	113.2	A652 S657	A652-Q659 HydrophobicContact CB-CB 4.15Å; S657-Q659 VanDerWaalsContact CB-OE1 3.32Å; S657-Q659 PolarHBondContact O-N 3.44Å; S657-Q659 PolarHBondContact OG-OE1 2.91Å
660	N	93.4	Very high	92.1	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-18.3	179	-56.6	-35.3	0	0	0	112.3	V644 S645 V649 G654 L655 S657 K662	V644-N660 HydrophobicContact CG1-CB 3.65Å; S645-N660 PolarHBondContact N-O 3.42Å; S645-N660 PolarHBondContact OG-O 3.05Å; V649-N660 WeakPolarHBondContact CB-OD1 3.27Å; V649-N660 WeakPolarHBondContact CG2-OD1 3.47Å; V649-N660 PolarHBondContact N-OD1 2.87Å; G654-N660 PolarHBondContact O-ND2 2.78Å; L655-N660 PolarHBondContact O-ND2 3.42Å; S657-N660 PolarHBondContact O-N 3.13Å; N660-K662 PolarHBondContact O-N 3.19Å
661	F	93.2	Very high	92.4	Very high	64 Å²	64	51.6 Å²	51.6	28%	0.281	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	126.6	179.7	-68.3	-12.1	0	0	0	111.8	I610 L642 A643 V644 F656 S657	I610-F661 HydrophobicContact CD1-CD1 3.62Å; I610-F661 HydrophobicContact CD1-CE1 3.31Å; I610-F661 HydrophobicContact CD1-CG 4.45Å; I610-F661 HydrophobicContact CD1-CZ 3.93Å; L642-F661 HydrophobicContact CD1-CB 4.28Å; A643-F661 CarbonylContact O-C 3.55Å; A643-F661 WeakPolarHBondContact O-CA 3.39Å; V644-F661 HydrophobicContact CG2-CD1 4.14Å; V644-F661 HydrophobicContact CG2-CE1 4.09Å; F656-F661 HydrophobicContact CB-CE1 3.88Å; F656-F661 HydrophobicContact CB-CZ 3.98Å; F656-F661 WeakPolarHBondContact O-CZ 3.41Å; S657-F661 PolarHBondContact O-N 3.16Å
662	K	93	Very high	92.6	Very high	99 Å²	99	44.6 Å²	44.6	43%	0.43	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	145.2	176.6	-64	177.4	-173.3	150.1	0	109.5	A643 S645 N660 I664	A643-K662 PolarHBondContact N-O 3.01Å; A643-K662 PolarHBondContact O-N 3.42Å; S645-K662 VanDerWaalsContact CB-NZ 3.3Å; S645-K662 PolarHBondContact OG-NZ 3.21Å; N660-K662 PolarHBondContact O-N 3.19Å; K662-I664 HydrophobicContact CB-CG1 4.22Å
663	L	93.2	Very high	92.8	Very high	81 Å²	81	44.5 Å²	44.5	42%	0.424	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	125.4	162.4	-67.8	176.5	0	0	0	107.9	F623 S627 N640 L642	F623-L663 HydrophobicContact CE2-CD1 4.28Å; F623-L663 HydrophobicContact CZ-CD1 4.46Å; S627-L663 WeakPolarHBondContact OG-CD2 3.45Å; N640-L663 HydrophobicContact CB-CB 4.12Å; N640-L663 HydrophobicContact CB-CD2 4.47Å; L642-L663 HydrophobicContact CB-CD2 4.35Å; L642-L663 HydrophobicContact CD1-CD2 4Å
664	I	93.7	Very high	92.9	Very high	30 Å²	30	41 Å²	41	15%	0.154	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	134.8	-178.7	-61.3	-171.5	0	0	0	108.4	C607 W609 N640 G641 A643 K662 C666 K668	C607-I664 HydrophobicContact CB-CD1 3.55Å; W609-I664 HydrophobicContact CH2-CB 4.14Å; W609-I664 HydrophobicContact CH2-CG2 4.05Å; W609-I664 HydrophobicContact CZ3-CB 4.05Å; W609-I664 HydrophobicContact CZ3-CG2 4.44Å; N640-I664 CarbonylContact C-O 3.56Å; N640-I664 VanDerWaalsContact CA-O 3.31Å; N640-I664 WeakPolarHBondContact CA-O 3.42Å; G641-I664 PolarHBondContact N-O 2.87Å; G641-I664 PolarHBondContact O-N 3.08Å; A643-I664 HydrophobicContact CB-CB 4.32Å; A643-I664 HydrophobicContact CB-CD1 3.67Å; A643-I664 HydrophobicContact CB-CG1 3.99Å; K662-I664 HydrophobicContact CB-CG1 4.22Å; I664-C666 PolarHBondContact O-N 2.82Å; I664-K668 HydrophobicContact CG2-CB 3.68Å; I664-K668 HydrophobicContact CG2-CG 3.79Å
665	S	93.7	Very high	93	Very high	24 Å²	24	41 Å²	41	17%	0.168	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	133.7	177.8	171.8	0	0	0	0	111.2	P637 E639 N640 S667 K668	P637-S665 WeakPolarHBondContact CA-OG 3.48Å; P637-S665 PolarHBondContact O-OG 3.25Å; E639-S665 CarbonylContact O-C 3.56Å; E639-S665 VanDerWaalsContact O-CA 3.28Å; E639-S665 WeakPolarHBondContact O-CA 3.38Å; N640-S665 WeakPolarHBondContact OD1-CA 3.31Å; N640-S665 PolarHBondContact OD1-N 3.38Å; S665-S667 PolarHBondContact O-N 2.8Å; S665-S667 PolarHBondContact OG-N 2.71Å; S665-S667 PolarHBondContact OG-OG 2.91Å; S665-K668 VanDerWaalsContact O-CB 3.32Å; S665-K668 WeakPolarHBondContact O-CB 3.39Å; S665-K668 WeakPolarHBondContact O-CG 3.44Å; S665-K668 PolarHBondContact O-N 3.21Å
666	C	89.7	Confident	92.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-11.6	-177.5	-58.9	0	0	0	0	114.2	G508 C629 S634 T635 E639 N640 I664 K668	G508-C666 PolarHBondContact N-O 3.15Å; C629-C666 WeakPolarHBondContact CA-SG 3.4Å; C629-C666 HydrophobicContact CB-CB 3.86Å; C629-C666 WeakPolarHBondContact CB-SG 3.03Å; C629-C666 VanDerWaalsContact SG-CA 3.58Å; C629-C666 WeakPolarHBondContact SG-CB 3.26Å; C629-C666 CovalentContact SG-SG 2.03Å; C629-C666 PolarHBondContact SG-SG 2.9Å; S634-C666 WeakPolarHBondContact O-CB 3.48Å; T635-C666 WeakPolarHBondContact CA-O 3.37Å; E639-C666 PolarHBondContact O-N 2.77Å; E639-C666 PolarHBondContact O-SG 2.87Å; N640-C666 VanDerWaalsContact CA-SG 3.53Å; N640-C666 PolarHBondContact N-SG 3.34Å; N640-C666 VanDerWaalsContact N-SG 3.42Å; I664-C666 PolarHBondContact O-N 2.82Å; C666-K668 VanDerWaalsContact C-N 3.32Å
667	S	89.8	Confident	92.3	Very high	32 Å²	32	42.1 Å²	42.1	22%	0.224	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-19.2	170.4	65.4	0	0	0	0	114.2	R507 T635 S665	R507-S667 PolarHBondContact NE-O 2.7Å; T635-S667 WeakPolarHBondContact O-CA 3.28Å; T635-S667 PolarHBondContact O-N 2.76Å; S665-S667 PolarHBondContact O-N 2.8Å; S665-S667 PolarHBondContact OG-N 2.71Å; S665-S667 PolarHBondContact OG-OG 2.91Å
668	K	92.7	Very high	91.6	Very high	125 Å²	125	44.3 Å²	44.3	54%	0.543	21%	0.211	S	C	.	.	S	Bend	trans	-80.1	154	-177.9	-63.6	-64.3	-176	-178.4	0	111.9	R507 I664 S665 C666	R507-K668 WeakPolarHBondContact CA-O 3.42Å; I664-K668 HydrophobicContact CG2-CB 3.68Å; I664-K668 HydrophobicContact CG2-CG 3.79Å; S665-K668 VanDerWaalsContact O-CB 3.32Å; S665-K668 WeakPolarHBondContact O-CB 3.39Å; S665-K668 WeakPolarHBondContact O-CG 3.44Å; S665-K668 PolarHBondContact O-N 3.21Å; C666-K668 VanDerWaalsContact C-N 3.32Å
669	F	92.8	Very high	91.1	Very high	88 Å²	88	36.2 Å²	36.2	39%	0.386	18%	0.177	S	C	.	.			trans	-90.1	126.9	172.1	-65	-78.7	0	0	0	110.6	P505 L506 R507 C607	P505-F669 HydrophobicContact CB-CB 3.86Å; P505-F669 HydrophobicContact CB-CD1 4.01Å; P505-F669 HydrophobicContact CB-CG 4.2Å; P505-F669 WeakPolarHBondContact O-CD1 3.48Å; L506-F669 WeakPolarHBondContact O-CA 3.2Å; R507-F669 HydrophobicContact CG-CD1 3.76Å; R507-F669 HydrophobicContact CG-CE1 3.64Å; R507-F669 HydrophobicContact CG-CG 4.41Å; R507-F669 HydrophobicContact CG-CZ 4.17Å; C607-F669 PolarHBondContact SG-O 2.93Å; C607-F669 VanDerWaalsContact SG-O 3.36Å
670	C	94.3	Very high	90	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-131.1	166.7	168.6	-59	0	0	0	0	108.4	L506 C607 W609	L506-C670 PolarHBondContact N-O 2.59Å; L506-C670 PolarHBondContact O-N 3.47Å; L506-C670 VanDerWaalsContact O-O 3.04Å; C607-C670 HydrophobicContact CB-CB 3.82Å; C607-C670 WeakPolarHBondContact CB-SG 3.24Å; C607-C670 CarbonylContact O-C 3.29Å; C607-C670 WeakPolarHBondContact O-CA 3.29Å; C607-C670 VanDerWaalsContact O-CB 3.28Å; C607-C670 WeakPolarHBondContact O-CB 3.34Å; C607-C670 WeakPolarHBondContact SG-CA 3.32Å; C607-C670 WeakPolarHBondContact SG-CB 3.12Å; C607-C670 CovalentContact SG-SG 2.03Å; C607-C670 PolarHBondContact SG-SG 2.82Å; W609-C670 HydrophobicContact CD2-CB 3.85Å; W609-C670 HydrophobicContact CG-CB 3.89Å; W609-C670 HydrophobicContact CZ2-CB 4.28Å
671	R	93.7	Very high	88.2	Confident	19 Å²	19	41.6 Å²	41.6	7%	0.072	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-90.9	161.2	169.6	-69.5	-179.6	-173.4	-72.3	-7.2	111.4	Q502 N503 D602 A605 C607 L608 W609	Q502-R671 PolarHBondContact O-NH1 3.01Å; N503-R671 PolarHBondContact O-NH1 3.18Å; D602-R671 IonicContact OD2-CZ 3.22Å; D602-R671 IonicContact OD2-NE 2.6Å; D602-R671 PolarHBondContact OD2-NE 3.46Å; D602-R671 IonicContact OD2-NH2 2.7Å; D602-R671 PolarHBondContact OD2-NH2 3.29Å; A605-R671 HydrophobicContact CB-CG 3.85Å; C607-R671 PolarHBondContact O-N 3.37Å; L608-R671 CarbonylContact C-O 3.52Å; L608-R671 VanDerWaalsContact CA-O 3.28Å; L608-R671 WeakPolarHBondContact CA-O 3.29Å; L608-R671 HydrophobicContact CD2-CB 3.96Å; W609-R671 PolarHBondContact N-O 3.41Å
672	M	92.6	Very high	85.9	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	25%	0.248	C	C	.	.			trans	-107	140.6	166.6	175.1	170.3	70.2	0	0	108.9	Q502 L506 L510 A526 P542 L544	Q502-M672 HydrophobicContact CG-CB 4.25Å; Q502-M672 HydrophobicContact CG-CE 3.89Å; Q502-M672 PolarHBondContact N-O 3.07Å; L506-M672 HydrophobicContact CD1-CB 4.08Å; L506-M672 HydrophobicContact CD1-CE 4.28Å; L510-M672 HydrophobicContact CD1-SD 4.45Å; A526-M672 HydrophobicContact CB-CE 4.3Å; P542-M672 HydrophobicContact CB-CE 4.29Å; P542-M672 HydrophobicContact CB-CG 4.25Å; P542-M672 HydrophobicContact CB-SD 3.52Å; P542-M672 VanDerWaalsContact CB-SD 3.52Å; L544-M672 HydrophobicContact CD1-CG 4.31Å; L544-M672 HydrophobicContact CD1-SD 3.62Å; L544-M672 HydrophobicContact CD2-CG 4.47Å; L544-M672 HydrophobicContact CG-CG 4.33Å; L544-M672 HydrophobicContact CG-SD 4.22Å
673	L	95.5	Very high	85.5	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	140.7	169	-72.7	-177.9	0	0	0	110.7	L499 A501 L543 L591 L608 F656	L499-L673 HydrophobicContact CD1-CB 4.16Å; L499-L673 HydrophobicContact CD1-CD1 4.25Å; L499-L673 HydrophobicContact CD2-CD1 4.46Å; A501-L673 HydrophobicContact CB-CD2 3.89Å; L543-L673 HydrophobicContact CB-CB 4Å; L543-L673 HydrophobicContact CD2-CB 4.34Å; L543-L673 HydrophobicContact CD2-CD1 4.22Å; L543-L673 PolarHBondContact N-O 3.21Å; L591-L673 HydrophobicContact CD1-CD2 4.04Å; L591-L673 HydrophobicContact CD2-CD2 4.28Å; L591-L673 HydrophobicContact CG-CD2 4.44Å; L608-L673 HydrophobicContact CD1-CD1 3.85Å; L608-L673 HydrophobicContact CD1-CG 4.1Å; L608-L673 HydrophobicContact CD2-CD2 4.36Å; L608-L673 HydrophobicContact CD2-CG 4.28Å; F656-L673 HydrophobicContact CE1-CD1 4.38Å; F656-L673 HydrophobicContact CZ-CD1 4.11Å
674	C	94.5	Very high	85.1	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	126.7	174.9	-62.1	0	0	0	0	109	L499 I500 Q502 C527 F540 Y541 F594	L499-C674 WeakPolarHBondContact CA-O 3.15Å; I500-C674 PolarHBondContact N-O 3.16Å; I500-C674 WeakPolarHBondContact O-CA 3.23Å; I500-C674 WeakPolarHBondContact O-CB 3.44Å; I500-C674 PolarHBondContact O-N 3.42Å; Q502-C674 PolarHBondContact NE2-SG 3.45Å; Q502-C674 VanDerWaalsContact NE2-SG 3.4Å; C527-C674 WeakPolarHBondContact CA-SG 3.2Å; C527-C674 HydrophobicContact CB-CB 3.6Å; C527-C674 WeakPolarHBondContact CB-SG 3.38Å; C527-C674 VanDerWaalsContact SG-CA 3.55Å; C527-C674 WeakPolarHBondContact SG-CB 3.29Å; C527-C674 CovalentContact SG-SG 2.03Å; C527-C674 PolarHBondContact SG-SG 3.38Å; F540-C674 HydrophobicContact CD1-CB 4.42Å; Y541-C674 CarbonylContact O-C 3.58Å; Y541-C674 WeakPolarHBondContact O-CA 3.41Å; F594-C674 HydrophobicContact CE2-CB 3.9Å; F594-C674 HydrophobicContact CZ-CB 3.8Å
675	I	94.5	Very high	84.6	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	137.5	-178	-167.4	168.6	0	0	0	110.7	Y498 L499 F540 Y541 L543 V554 V555 L565 F577 I677	Y498-I675 CarbonylContact O-C 3.54Å; Y498-I675 WeakPolarHBondContact O-CA 3.27Å; L499-I675 HydrophobicContact CD1-CB 3.87Å; L499-I675 HydrophobicContact CD1-CD1 4.31Å; L499-I675 HydrophobicContact CD1-CG1 4.14Å; F540-I675 CarbonylContact C-O 3.55Å; F540-I675 WeakPolarHBondContact CA-O 3.44Å; Y541-I675 PolarHBondContact N-O 2.94Å; Y541-I675 PolarHBondContact O-N 3.3Å; L543-I675 HydrophobicContact CB-CG2 4.36Å; L543-I675 HydrophobicContact CD1-CG2 4.21Å; V554-I675 HydrophobicContact CG1-CG2 3.7Å; V555-I675 HydrophobicContact CG2-CD1 3.75Å; V555-I675 HydrophobicContact CG2-CG1 4.39Å; L565-I675 HydrophobicContact CD1-CD1 4.12Å; L565-I675 HydrophobicContact CD2-CD1 4.02Å; F577-I675 HydrophobicContact CD2-CD1 3.48Å; F577-I675 VanDerWaalsContact CD2-CD1 3.48Å; F577-I675 HydrophobicContact CE2-CD1 3.62Å; I675-I677 HydrophobicContact CG2-CG2 4.36Å
676	Q	91.1	Very high	84.1	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.009	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	128.8	167.6	-160.5	-176.2	23.8	0	0	109.3	L497 Y498 R538 A539 F540 T678 S680	L497-Q676 WeakPolarHBondContact CD2-O 3.4Å; Y498-Q676 PolarHBondContact O-N 3.06Å; R538-Q676 PolarHBondContact O-NE2 3.09Å; A539-Q676 CarbonylContact O-C 3.55Å; A539-Q676 VanDerWaalsContact O-CA 3.29Å; A539-Q676 WeakPolarHBondContact O-CA 3.45Å; F540-Q676 HydrophobicContact CD1-CB 4.41Å; F540-Q676 HydrophobicContact CD2-CB 4.21Å; F540-Q676 HydrophobicContact CD2-CG 3.98Å; F540-Q676 HydrophobicContact CE1-CB 4.12Å; F540-Q676 HydrophobicContact CE2-CB 3.9Å; F540-Q676 HydrophobicContact CE2-CG 3.73Å; F540-Q676 HydrophobicContact CG-CB 4.47Å; F540-Q676 HydrophobicContact CZ-CB 3.87Å; F540-Q676 HydrophobicContact CZ-CG 4.2Å; Q676-T678 VanDerWaalsContact CG-O 3.3Å; Q676-T678 WeakPolarHBondContact CG-O 3.38Å; Q676-T678 PolarHBondContact NE2-O 3.46Å; Q676-S680 PolarHBondContact NE2-OG 3.11Å
677	I	82.7	Confident	83.8	Confident	28 Å²	28	50.4 Å²	50.4	14%	0.144	25%	0.252	C	S	.	.	S	Bend	trans	-94.9	-14.4	-175.3	66.9	162.8	0	0	0	113.8	A539 Y541 V554 P556 I675	A539-I677 HydrophobicContact CB-CG1 3.79Å; A539-I677 WeakPolarHBondContact O-CG1 3.38Å; A539-I677 PolarHBondContact O-N 3Å; Y541-I677 HydrophobicContact CD2-CD1 3.74Å; Y541-I677 HydrophobicContact CD2-CG1 4.14Å; Y541-I677 HydrophobicContact CD2-CG2 4.1Å; Y541-I677 HydrophobicContact CE2-CD1 3.75Å; Y541-I677 HydrophobicContact CG-CG2 4.18Å; V554-I677 HydrophobicContact CG1-CG2 3.79Å; V554-I677 VanDerWaalsContact O-CG2 3.31Å; V554-I677 WeakPolarHBondContact O-CG2 3.21Å; P556-I677 WeakPolarHBondContact CD-O 3.38Å; I675-I677 HydrophobicContact CG2-CG2 4.36Å
678	T	78.1	Confident	83.3	Confident	52 Å²	52	51.7 Å²	51.7	32%	0.319	25%	0.254	S	S	.	.	S	Bend	trans	-136.7	134.2	174.8	54.8	0	0	0	0	109.5	A539 Y559 Q676	A539-T678 VanDerWaalsContact CB-OG1 3.26Å; A539-T678 WeakPolarHBondContact CB-OG1 3.38Å; Y559-T678 HydrophobicContact CE2-CG2 4.01Å; Q676-T678 VanDerWaalsContact CG-O 3.3Å; Q676-T678 WeakPolarHBondContact CG-O 3.38Å; Q676-T678 PolarHBondContact NE2-O 3.46Å
679	P	81	Confident	82.7	Confident	12 Å²	12	46.4 Å²	46.4	8%	0.078	23%	0.233	C	C	.	.			trans	-60.1	143.5	175	-20.3	32.8	0	0	0	111.2	K495 L497 Y559	K495-P679 HydrophobicContact CB-CB 4.25Å; K495-P679 HydrophobicContact CB-CG 3.97Å; K495-P679 HydrophobicContact CD-CG 4.34Å; K495-P679 HydrophobicContact CG-CB 4.32Å; K495-P679 HydrophobicContact CG-CG 4.18Å; L497-P679 HydrophobicContact CD2-CB 4.43Å; L497-P679 HydrophobicContact CD2-CG 3.77Å; Y559-P679 HydrophobicContact CD1-CG 3.98Å; Y559-P679 HydrophobicContact CE1-CG 4.03Å
680	S	67.8	Low	81.9	Confident	55 Å²	55	43.2 Å²	43.2	39%	0.385	22%	0.222	S	C	.	.			trans	-74.1	124.6	171.9	-59.1	0	0	0	0	110.7	Q676 K682	Q676-S680 PolarHBondContact NE2-OG 3.11Å; S680-K682 PolarHBondContact O-N 3.35Å
681	D	53.9	Low	80.9	Confident	160 Å²	160	46.8 Å²	46.8	86%	0.856	24%	0.24	S	C	*	.			trans	-77.2	64	176.5	-64.3	-54	0	0	0	112.2
682	K	45	Very low	79.7	Confident	231 Å²	231	49.4 Å²	49.4	100%	1.004	26%	0.255	S	S	*	.			trans	-133.6	0	178.9	-75.2	-171.7	175.4	-178.4	0	112.6	S680	S680-K682 PolarHBondContact O-N 3.35Å

Retrieved 682 of 682 residues in 1555 ms (Link to these results)

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