A0A3Q0KKM2_SCHMA Loading...

Putative neurexin

AlphaFold DB , UniProt , Accession A0A3Q0KKM2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 921 aa.

						>A0A3Q0KKM2_SCHMA|A0A3Q0KKM2
MIIIVFISQYLLCIETSENMFQSFKVDLPNYKTQINSHDDMNQSNESQLNFKRIHMISSNTTDQYHPREGHKLHNNKSVESHGDYYHSSLSSTSITTPLNKVIKTINFITFKISDCYLHNPSMHLYERFRLKFTFRTSQEHGLILFNSDKYGVDFLAFELIKGYLHFVFDMGSGSQRFALTTHSVTDSNWHNVELFREDLENNILQLYIDRNQSIEQSLKIPVFNGDIARNFNLNDPLYIGGISQLVFLKWREKLSSYHGFQGCLGNFSINGLPPFDLLNMAKLKYAKNWTLPVCRDQIVDNCHHRPKGVLNCNQIQRIQNHSTNTKTNKNVDGDNDKDKLFQPYCLNDGICLQTWLGVKCACELTTFDGHRCMKAGTTFVYGINDDSIINYNNNNNLSNEFNHTISNHDNIGYLRLIYKDYEKHTRQDEFILGIQTFYINFPHKKQQKKQHRNYSQTYNNDNYISTLLFVTSLTQIGDFIHLFLESGIVRLNYNMGGGVVHISGPNFPINDGFYHRIRGYRVDRQIILEVDDSRHTYELNSVYGKQFNNQKVIWLGHAPRLNKTDFFHGYMTGVYYNGLLLNDIAAGLSYLVHIHVTRFGNVKHITKFQPKLLKSDYYKDGVNYVNRDEPVSEETTNRILFNSLPLFFYSNSSPSSLTTNYKYFNNNISNESIQSDIIHSPSNYLQYNKWKVYKTMSRLHEQVNIWLLISLASAGLIMIISLTFLAYRFHRNKRVNSHCSKLTKTEQISHLHQFSPTSVTYRTASVGSLLSMDDIRYTMISKRLKQNQEQLSSVSDDQSHSICDQASISRYKINYSNTTVTPFILVTDSINLPSKSSTGIDQYNLIKTSLPKIDSMHLNVPIKTFEECIPDKCFKDNKYKVVLSVPNNDYLKTQFIHGFIDTLHSGQFSTGSSIETPQIM
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	51.9	Low	70.1	Confident	196 Å²	196	119.3 Å²	119.3	97%	0.966	59%	0.593	S	S	*	*				0	-52.8	0	-118.4	-158.4	163.2	0	0	113.1	I3 I4 V5	M1-I3 VanDerWaalsContact C-N 3.33Å; M1-I3 PolarHBondContact O-N 3.43Å; M1-I4 PolarHBondContact O-N 3.09Å; M1-V5 PolarHBondContact O-N 3.21Å; M1-V5 VanDerWaalsContact O-N 3.16Å
2	I	63.5	Low	69.8	Low	127 Å²	127	118.3 Å²	118.3	65%	0.651	59%	0.591	S	S	*	*	H	α-helix	trans	-56.2	-42.2	-179.4	-64.2	170.6	0	0	0	112.9	I4 V5 F6	I2-I4 VanDerWaalsContact C-N 3.3Å; I2-I4 PolarHBondContact O-N 3.14Å; I2-V5 PolarHBondContact O-N 2.73Å; I2-F6 HydrophobicContact CG2-CD2 3.75Å; I2-F6 HydrophobicContact CG2-CE2 3.85Å; I2-F6 WeakPolarHBondContact O-CD2 3.2Å; I2-F6 PolarHBondContact O-N 3.36Å
3	I	70.9	Confident	68.6	Low	127 Å²	127	115.8 Å²	115.8	65%	0.651	59%	0.59	S	S	*	*	H	α-helix	trans	-62.8	-35.7	177.6	-63.2	172.7	0	0	0	112.1	M1 F6 I7	M1-I3 VanDerWaalsContact C-N 3.33Å; M1-I3 PolarHBondContact O-N 3.43Å; I3-F6 PolarHBondContact O-N 2.94Å; I3-I7 HydrophobicContact CG2-CD1 3.74Å; I3-I7 HydrophobicContact CG2-CG1 4.39Å; I3-I7 WeakPolarHBondContact O-CB 3.33Å; I3-I7 VanDerWaalsContact O-CG1 3.24Å; I3-I7 WeakPolarHBondContact O-CG1 3.38Å; I3-I7 PolarHBondContact O-N 2.92Å
4	I	76.8	Confident	68	Low	123 Å²	123	112.1 Å²	112.1	63%	0.631	57%	0.571	S	S	*	*	H	α-helix	trans	-70.1	-37.6	178.3	-62.7	173.5	0	0	0	110.3	M1 I2 I7 S8	M1-I4 PolarHBondContact O-N 3.09Å; I2-I4 VanDerWaalsContact C-N 3.3Å; I2-I4 PolarHBondContact O-N 3.14Å; I4-I7 PolarHBondContact O-N 3.06Å; I4-S8 WeakPolarHBondContact O-CB 3.48Å; I4-S8 PolarHBondContact O-N 2.91Å
5	V	78.1	Confident	66.7	Low	71 Å²	71	112.9 Å²	112.9	43%	0.43	57%	0.572	S	S	.	*	H	α-helix	trans	-65.8	-42.5	174.8	177.2	0	0	0	0	111.1	M1 I2 S8 Q9	M1-V5 PolarHBondContact O-N 3.21Å; M1-V5 VanDerWaalsContact O-N 3.16Å; I2-V5 PolarHBondContact O-N 2.73Å; V5-S8 PolarHBondContact O-N 2.66Å; V5-S8 PolarHBondContact O-OG 2.98Å; V5-Q9 WeakPolarHBondContact O-CB 3.35Å; V5-Q9 PolarHBondContact O-N 3.33Å
6	F	72.3	Confident	65.4	Low	139 Å²	139	110.3 Å²	110.3	61%	0.61	56%	0.563	S	S	*	*	H	α-helix	trans	-66.1	-39.9	175.9	-91.4	-78.9	0	0	0	112.6	I2 I3 Y10	I2-F6 HydrophobicContact CG2-CD2 3.75Å; I2-F6 HydrophobicContact CG2-CE2 3.85Å; I2-F6 WeakPolarHBondContact O-CD2 3.2Å; I2-F6 PolarHBondContact O-N 3.36Å; I3-F6 PolarHBondContact O-N 2.94Å; F6-Y10 VanDerWaalsContact O-CB 3.24Å; F6-Y10 WeakPolarHBondContact O-CB 3.28Å; F6-Y10 PolarHBondContact O-N 2.71Å
7	I	76	Confident	63.9	Low	94 Å²	94	107 Å²	107	48%	0.482	55%	0.552	S	S	.	*	H	α-helix	trans	-67.2	-39.4	175.9	-69.2	169.2	0	0	0	110.7	I3 I4 Y10 L11	I3-I7 HydrophobicContact CG2-CD1 3.74Å; I3-I7 HydrophobicContact CG2-CG1 4.39Å; I3-I7 WeakPolarHBondContact O-CB 3.33Å; I3-I7 VanDerWaalsContact O-CG1 3.24Å; I3-I7 WeakPolarHBondContact O-CG1 3.38Å; I3-I7 PolarHBondContact O-N 2.92Å; I4-I7 PolarHBondContact O-N 3.06Å; I7-Y10 PolarHBondContact O-N 2.77Å; I7-L11 HydrophobicContact CG2-CD1 3.78Å; I7-L11 WeakPolarHBondContact O-CB 3.46Å; I7-L11 WeakPolarHBondContact O-CG 3.14Å; I7-L11 PolarHBondContact O-N 3.39Å
8	S	69.9	Low	62.8	Low	58 Å²	58	108.2 Å²	108.2	41%	0.406	56%	0.555	S	S	.	*	H	α-helix	trans	-69.1	-38.9	177.2	99	0	0	0	0	112	I4 V5 L12	I4-S8 WeakPolarHBondContact O-CB 3.48Å; I4-S8 PolarHBondContact O-N 2.91Å; V5-S8 PolarHBondContact O-N 2.66Å; V5-S8 PolarHBondContact O-OG 2.98Å; S8-L12 WeakPolarHBondContact O-CB 3.3Å; S8-L12 WeakPolarHBondContact O-CD1 3.37Å; S8-L12 PolarHBondContact O-N 2.79Å
9	Q	70.4	Confident	61.6	Low	113 Å²	113	107.8 Å²	107.8	53%	0.528	55%	0.554	S	S	.	*	H	α-helix	trans	-67.4	-37.2	174.1	-81.4	173.1	-33.6	0	0	112.2	V5 L12 C13	V5-Q9 WeakPolarHBondContact O-CB 3.35Å; V5-Q9 PolarHBondContact O-N 3.33Å; Q9-L12 PolarHBondContact O-N 3.27Å; Q9-C13 WeakPolarHBondContact O-CB 3.28Å; Q9-C13 PolarHBondContact O-N 2.79Å
10	Y	69.4	Low	60.3	Low	162 Å²	162	108.2 Å²	108.2	64%	0.635	56%	0.555	S	S	*	*	H	α-helix	trans	-68.7	-41	176.2	-166.4	-99.2	0	0	0	112	F6 I7 C13 I14	F6-Y10 VanDerWaalsContact O-CB 3.24Å; F6-Y10 WeakPolarHBondContact O-CB 3.28Å; F6-Y10 PolarHBondContact O-N 2.71Å; I7-Y10 PolarHBondContact O-N 2.77Å; Y10-C13 PolarHBondContact O-N 3.39Å; Y10-I14 HydrophobicContact CD1-CD1 3.72Å; Y10-I14 HydrophobicContact CE1-CD1 3.4Å; Y10-I14 VanDerWaalsContact CE1-CD1 3.4Å; Y10-I14 HydrophobicContact CE1-CG1 4.32Å; Y10-I14 WeakPolarHBondContact O-CG1 3.48Å; Y10-I14 PolarHBondContact O-N 3.45Å
11	L	71.4	Confident	59.1	Low	102 Å²	102	111.3 Å²	111.3	53%	0.534	57%	0.565	S	S	.	*	H	α-helix	trans	-64.7	-41.2	173.4	-80.1	160.1	0	0	0	111.9	I7 C13 I14 E15	I7-L11 HydrophobicContact CG2-CD1 3.78Å; I7-L11 WeakPolarHBondContact O-CB 3.46Å; I7-L11 WeakPolarHBondContact O-CG 3.14Å; I7-L11 PolarHBondContact O-N 3.39Å; L11-C13 VanDerWaalsContact C-N 3.33Å; L11-C13 PolarHBondContact O-N 2.72Å; L11-I14 PolarHBondContact O-N 3.07Å; L11-E15 PolarHBondContact O-N 2.84Å
12	L	67.4	Low	58.4	Low	108 Å²	108	109.5 Å²	109.5	57%	0.565	55%	0.554	S	S	*	*	H	α-helix	trans	-62.5	-36.9	172.8	-104.6	119.2	0	0	0	112.5	S8 Q9 T16	S8-L12 WeakPolarHBondContact O-CB 3.3Å; S8-L12 WeakPolarHBondContact O-CD1 3.37Å; S8-L12 PolarHBondContact O-N 2.79Å; Q9-L12 PolarHBondContact O-N 3.27Å; L12-T16 WeakPolarHBondContact O-CB 3.35Å; L12-T16 VanDerWaalsContact O-CG2 3.25Å; L12-T16 WeakPolarHBondContact O-CG2 3.29Å; L12-T16 PolarHBondContact O-N 3.09Å; L12-T16 PolarHBondContact O-OG1 3.35Å
13	C	54.3	Low	57	Low	85 Å²	85	107 Å²	107	57%	0.574	55%	0.548	S	S	*	.	H	α-helix	trans	-67.3	-35.3	174.7	-103.5	0	0	0	0	112.8	Q9 Y10 L11 T16 S17	Q9-C13 WeakPolarHBondContact O-CB 3.28Å; Q9-C13 PolarHBondContact O-N 2.79Å; Y10-C13 PolarHBondContact O-N 3.39Å; L11-C13 VanDerWaalsContact C-N 3.33Å; L11-C13 PolarHBondContact O-N 2.72Å; C13-T16 WeakPolarHBondContact CA-OG1 3.22Å; C13-T16 PolarHBondContact O-OG1 2.77Å; C13-T16 VanDerWaalsContact O-OG1 3.06Å; C13-S17 WeakPolarHBondContact O-CB 3.24Å; C13-S17 PolarHBondContact O-N 3.02Å; C13-S17 VanDerWaalsContact O-N 3.09Å
14	I	60.2	Low	55.1	Low	65 Å²	65	109 Å²	109	33%	0.333	55%	0.552	S	S	.	*	H	α-helix	trans	-72.3	-46.8	176.9	-68.4	172.3	0	0	0	110.5	Y10 L11 T16 S17 E18	Y10-I14 HydrophobicContact CD1-CD1 3.72Å; Y10-I14 HydrophobicContact CE1-CD1 3.4Å; Y10-I14 VanDerWaalsContact CE1-CD1 3.4Å; Y10-I14 HydrophobicContact CE1-CG1 4.32Å; Y10-I14 WeakPolarHBondContact O-CG1 3.48Å; Y10-I14 PolarHBondContact O-N 3.45Å; L11-I14 PolarHBondContact O-N 3.07Å; I14-T16 VanDerWaalsContact C-N 3.3Å; I14-T16 PolarHBondContact O-N 2.82Å; I14-S17 PolarHBondContact O-N 3.11Å; I14-S17 VanDerWaalsContact O-N 3.1Å; I14-S17 PolarHBondContact O-OG 3.13Å; I14-E18 PolarHBondContact O-N 2.97Å
15	E	48.3	Very low	52.8	Low	124 Å²	124	111.8 Å²	111.8	58%	0.579	56%	0.56	S	S	*	*	H	α-helix	trans	-61.8	-37.1	177.4	-111.3	175.7	170	0	0	112.1	L11 N19	L11-E15 PolarHBondContact O-N 2.84Å; E15-N19 WeakPolarHBondContact O-CB 3.47Å; E15-N19 PolarHBondContact O-N 2.86Å; E15-N19 PolarHBondContact O-ND2 3.2Å
16	T	45.6	Very low	50.5	Low	71 Å²	71	113.9 Å²	113.9	44%	0.436	57%	0.573	S	S	.	*	H	α-helix	trans	-71.6	-32	174.7	49.4	0	0	0	0	112.6	L12 C13 I14 M20	L12-T16 WeakPolarHBondContact O-CB 3.35Å; L12-T16 VanDerWaalsContact O-CG2 3.25Å; L12-T16 WeakPolarHBondContact O-CG2 3.29Å; L12-T16 PolarHBondContact O-N 3.09Å; L12-T16 PolarHBondContact O-OG1 3.35Å; C13-T16 WeakPolarHBondContact CA-OG1 3.22Å; C13-T16 PolarHBondContact O-OG1 2.77Å; C13-T16 VanDerWaalsContact O-OG1 3.06Å; I14-T16 VanDerWaalsContact C-N 3.3Å; I14-T16 PolarHBondContact O-N 2.82Å; T16-M20 VanDerWaalsContact O-CB 3.29Å; T16-M20 WeakPolarHBondContact O-CB 3.47Å; T16-M20 PolarHBondContact O-N 3.39Å
17	S	39.6	Very low	48.4	Very low	54 Å²	54	114.3 Å²	114.3	38%	0.378	58%	0.581	S	S	.	*	H	α-helix	trans	-72.2	-39.8	174.9	79.2	0	0	0	0	113	C13 I14 M20 F21	C13-S17 WeakPolarHBondContact O-CB 3.24Å; C13-S17 PolarHBondContact O-N 3.02Å; C13-S17 VanDerWaalsContact O-N 3.09Å; I14-S17 PolarHBondContact O-N 3.11Å; I14-S17 VanDerWaalsContact O-N 3.1Å; I14-S17 PolarHBondContact O-OG 3.13Å; S17-M20 PolarHBondContact O-N 3.48Å; S17-F21 WeakPolarHBondContact O-CB 2.73Å; S17-F21 PolarHBondContact O-N 2.87Å
18	E	43.6	Very low	46.2	Very low	128 Å²	128	117.3 Å²	117.3	60%	0.598	60%	0.597	S	S	*	*	H	α-helix	trans	-73.2	-36.6	177.2	-73.6	-170.6	159.9	0	0	111.6	I14 F21 Q22	I14-E18 PolarHBondContact O-N 2.97Å; E18-F21 PolarHBondContact O-N 3.1Å; E18-Q22 PolarHBondContact O-N 3.35Å
19	N	40	Very low	44.3	Very low	101 Å²	101	119.8 Å²	119.8	54%	0.54	61%	0.612	S	S	.	*	H	α-helix	trans	-71.1	-33.3	172.8	-72.6	-31.7	0	0	0	112.4	E15 S23	E15-N19 WeakPolarHBondContact O-CB 3.47Å; E15-N19 PolarHBondContact O-N 2.86Å; E15-N19 PolarHBondContact O-ND2 3.2Å; N19-S23 WeakPolarHBondContact O-CB 3.29Å; N19-S23 PolarHBondContact O-N 3.41Å; N19-S23 PolarHBondContact O-OG 3.2Å
20	M	35.6	Very low	42.3	Very low	116 Å²	116	121.9 Å²	121.9	57%	0.571	63%	0.627	S	S	*	*	H	α-helix	trans	-64.9	-41.8	168.6	-93.1	-159.5	-77	0	0	111.6	T16 S17 Q22 S23 F24	T16-M20 VanDerWaalsContact O-CB 3.29Å; T16-M20 WeakPolarHBondContact O-CB 3.47Å; T16-M20 PolarHBondContact O-N 3.39Å; S17-M20 PolarHBondContact O-N 3.48Å; M20-Q22 PolarHBondContact O-N 3.17Å; M20-S23 WeakPolarHBondContact CA-OG 3.32Å; M20-S23 PolarHBondContact O-N 3.43Å; M20-S23 PolarHBondContact O-OG 3.29Å; M20-F24 PolarHBondContact O-N 2.86Å
21	F	36.1	Very low	40.3	Very low	174 Å²	174	124.2 Å²	124.2	76%	0.763	64%	0.636	S	S	*	*	H	α-helix	trans	-68.3	-31	177.9	-107.8	-88.1	0	0	0	113.6	S17 E18	S17-F21 WeakPolarHBondContact O-CB 2.73Å; S17-F21 PolarHBondContact O-N 2.87Å; E18-F21 PolarHBondContact O-N 3.1Å
22	Q	36.2	Very low	38.2	Very low	157 Å²	157	128.8 Å²	128.8	73%	0.734	65%	0.652	S	S	*	*	H	α-helix	trans	-78.5	-30.3	172.8	-74	-160.6	2.2	0	0	113.3	E18 M20 F24	E18-Q22 PolarHBondContact O-N 3.35Å; M20-Q22 PolarHBondContact O-N 3.17Å; Q22-F24 VanDerWaalsContact C-N 3.28Å; Q22-F24 PolarHBondContact O-N 2.85Å
23	S	34.5	Very low	36.5	Very low	76 Å²	76	126.4 Å²	126.4	53%	0.531	64%	0.642	S	S	.	*	H	α-helix	trans	-73.4	-14.8	174.6	69.6	0	0	0	0	114.5	N19 M20	N19-S23 WeakPolarHBondContact O-CB 3.29Å; N19-S23 PolarHBondContact O-N 3.41Å; N19-S23 PolarHBondContact O-OG 3.2Å; M20-S23 WeakPolarHBondContact CA-OG 3.32Å; M20-S23 PolarHBondContact O-N 3.43Å; M20-S23 PolarHBondContact O-OG 3.29Å
24	F	31.4	Very low	35.2	Very low	169 Å²	169	130.2 Å²	130.2	74%	0.741	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	4.7	179.3	-101.1	-82	0	0	0	115.1	M20 Q22 V26	M20-F24 PolarHBondContact O-N 2.86Å; Q22-F24 VanDerWaalsContact C-N 3.28Å; Q22-F24 PolarHBondContact O-N 2.85Å; F24-V26 PolarHBondContact O-N 2.92Å; F24-V26 VanDerWaalsContact O-N 3.14Å
25	K	28.3	Very low	33.9	Very low	181 Å²	181	134 Å²	134	79%	0.787	67%	0.67	S	S	*	*			trans	-82.2	72.8	159.6	-91.6	-176.8	174	178.2	0	109.5
26	V	29.9	Very low	33	Very low	115 Å²	115	135.2 Å²	135.2	70%	0.697	68%	0.681	S	S	*	*			trans	-90	105.6	161.8	179.6	0	0	0	0	106.5	F24 L28	F24-V26 PolarHBondContact O-N 2.92Å; F24-V26 VanDerWaalsContact O-N 3.14Å; V26-L28 PolarHBondContact O-N 2.81Å
27	D	28	Very low	32.2	Very low	148 Å²	148	136.6 Å²	136.6	79%	0.791	69%	0.693	S	S	*	*			trans	-58.2	107.1	170.4	-71.9	-42.2	0	0	0	108.8	P29	D27-P29 WeakPolarHBondContact O-CD 3.46Å
28	L	30.1	Very low	32	Very low	156 Å²	156	141.6 Å²	141.6	82%	0.817	71%	0.71	S	S	*	*			trans	-62.4	122.9	167.8	-88.3	126.2	0	0	0	108.2	V26 N30	V26-L28 PolarHBondContact O-N 2.81Å; L28-N30 PolarHBondContact O-N 2.63Å; L28-N30 VanDerWaalsContact O-N 3.08Å
29	P	29.4	Very low	31.4	Very low	111 Å²	111	141.3 Å²	141.3	72%	0.721	71%	0.713	S	S	*	*			trans	-66.2	114.7	174.1	25.4	-29.8	0	0	0	109	D27 Y31	D27-P29 WeakPolarHBondContact O-CD 3.46Å; P29-Y31 PolarHBondContact O-N 3.32Å
30	N	28.3	Very low	31.1	Very low	157 Å²	157	144.4 Å²	144.4	84%	0.84	73%	0.73	S	S	*	*			trans	-65.2	98.9	171.4	-100.7	-25.5	0	0	0	109.6	L28 K32	L28-N30 PolarHBondContact O-N 2.63Å; L28-N30 VanDerWaalsContact O-N 3.08Å; N30-K32 VanDerWaalsContact C-N 3.32Å; N30-K32 PolarHBondContact O-N 2.82Å
31	Y	28.8	Very low	30.8	Very low	210 Å²	210	146.7 Å²	146.7	82%	0.824	74%	0.741	S	S	*	*			trans	-76.9	81.9	169.9	-118.5	-86.5	0	0	0	110.1	P29 T33	P29-Y31 PolarHBondContact O-N 3.32Å; Y31-T33 HydrophobicContact CD1-CG2 4.12Å; Y31-T33 HydrophobicContact CE1-CG2 4.34Å; Y31-T33 PolarHBondContact O-N 2.9Å
32	K	27.6	Very low	30.5	Very low	198 Å²	198	144.6 Å²	144.6	86%	0.861	74%	0.737	S	S	*	*			trans	-80.5	93.5	160.8	-89.2	-173	175.8	-177.4	0	108.5	N30 Q34	N30-K32 VanDerWaalsContact C-N 3.32Å; N30-K32 PolarHBondContact O-N 2.82Å; K32-Q34 PolarHBondContact O-N 3.08Å
33	T	31	Very low	30.3	Very low	58 Å²	58	145.7 Å²	145.7	36%	0.356	74%	0.743	S	S	.	*			trans	-81.6	100.8	163.6	21.2	0	0	0	0	108.8	Y31 K288	Y31-T33 HydrophobicContact CD1-CG2 4.12Å; Y31-T33 HydrophobicContact CE1-CG2 4.34Å; Y31-T33 PolarHBondContact O-N 2.9Å; T33-K288 PolarHBondContact O-NZ 3.03Å; T33-K288 PolarHBondContact OG1-NZ 2.96Å
34	Q	27.2	Very low	30.1	Very low	166 Å²	166	146.4 Å²	146.4	78%	0.776	75%	0.748	S	S	*	*			trans	-72.8	123.3	154.7	-84.1	-179.3	-28.7	0	0	107	K32	K32-Q34 PolarHBondContact O-N 3.08Å
35	I	32	Very low	30	Very low	144 Å²	144	145.6 Å²	145.6	74%	0.738	75%	0.751	S	S	*	*			trans	-120.6	102.6	165.5	-63.9	175.8	0	0	0	104.3
36	N	30.1	Very low	29.9	Very low	150 Å²	150	145.4 Å²	145.4	80%	0.802	75%	0.753	S	S	*	*			trans	-76	129	163.8	-82.7	-14	0	0	0	108.1
37	S	28.6	Very low	29.9	Very low	99 Å²	99	145.4 Å²	145.4	69%	0.692	76%	0.758	S	S	*	*			trans	-67.5	125.3	168.1	47.6	0	0	0	0	111.3
38	H	34.4	Very low	29.9	Very low	159 Å²	159	147.8 Å²	147.8	74%	0.736	76%	0.764	S	S	*	*				174.8	125.6	129.7	-99.5	-65.1	0	0	0	111
39	D	32	Very low	29.9	Very low	123 Å²	123	148 Å²	148	66%	0.658	77%	0.765	S	S	*	*			trans	41.4	113.8	138.6	-51.3	-22.8	0	0	0	119.9
40	D	33.5	Very low	29.7	Very low	166 Å²	166	148.8 Å²	148.8	89%	0.888	76%	0.764	S	S	*	*				170.5	144.1	93	-98.6	-32.8	0	0	0	113.1
41	M	29.2	Very low	29.7	Very low	164 Å²	164	151.5 Å²	151.5	81%	0.808	77%	0.768	S	S	*	*			trans	-77.6	136.1	176.8	-71.6	-155.6	-66.6	0	0	112.6
42	N	30.3	Very low	29.7	Very low	129 Å²	129	149.6 Å²	149.6	69%	0.69	76%	0.764	S	S	*	*				158.9	136.9	115.2	-89.5	-32.8	0	0	0	113.8
43	Q	31.2	Very low	29.6	Very low	180 Å²	180	150.5 Å²	150.5	84%	0.841	76%	0.763	S	S	*	*			trans	56.8	137.7	149.9	-70.5	173.8	-19	0	0	119
44	S	29.9	Very low	29.5	Very low	91 Å²	91	155.1 Å²	155.1	64%	0.636	78%	0.783	S	S	*	*			cis	-179.3	142	-3.9	43.6	0	0	0	0	107.1
45	N	29.3	Very low	29.4	Very low	153 Å²	153	154 Å²	154	82%	0.818	78%	0.778	S	S	*	*			trans	60	129.1	152.6	-62.1	-5.5	0	0	0	117.9
46	E	27.9	Very low	29.3	Very low	177 Å²	177	153.8 Å²	153.8	83%	0.827	78%	0.775	S	S	*	*			cis	-168.1	163.9	40.5	-120.5	163.5	-164.2	0	0	109.3
47	S	29	Very low	29.2	Very low	115 Å²	115	153.4 Å²	153.4	80%	0.804	77%	0.772	S	S	*	*			trans	104.2	56.2	168.7	77.6	0	0	0	0	120.6
48	Q	29	Very low	29	Very low	197 Å²	197	154.3 Å²	154.3	92%	0.921	78%	0.778	S	S	*	*			trans	-147.4	103.4	153.9	-71.3	-164.9	-7.7	0	0	112.3
49	L	28.8	Very low	28.8	Very low	160 Å²	160	150.9 Å²	150.9	84%	0.838	77%	0.772	S	S	*	*			trans	-102.8	135.8	157.9	-95.7	85.8	0	0	0	106.1
50	N	26.7	Very low	28.5	Very low	128 Å²	128	152.4 Å²	152.4	68%	0.684	78%	0.78	S	S	*	*			cis	-152.8	112.1	25.1	-93.7	-38.8	0	0	0	109.5
51	F	28.1	Very low	28.3	Very low	214 Å²	214	150.8 Å²	150.8	94%	0.939	78%	0.777	S	S	*	*			trans	-140	97.9	150.9	-108	-86.1	0	0	0	105.6	R53	F51-R53 PolarHBondContact O-N 3.46Å
52	K	27.5	Very low	28.2	Very low	170 Å²	170	148.9 Å²	148.9	74%	0.739	78%	0.775	S	S	*	*			trans	-63.7	103.6	-179.9	-98.2	-178.2	175.3	177	0	109.6	I54	K52-I54 PolarHBondContact O-N 2.85Å
53	R	25.6	Very low	28.3	Very low	218 Å²	218	149.6 Å²	149.6	82%	0.823	78%	0.778	S	S	*	*			trans	-56.1	119.2	153.6	-100.9	173.8	178.7	174.2	2.1	108.5	F51	F51-R53 PolarHBondContact O-N 3.46Å
54	I	28.4	Very low	28.1	Very low	155 Å²	155	150 Å²	150	80%	0.795	78%	0.78	S	S	*	*			trans	-90.6	95.6	152.7	-63.2	175.8	0	0	0	105.7	K52	K52-I54 PolarHBondContact O-N 2.85Å
55	H	27	Very low	28.1	Very low	141 Å²	141	156.4 Å²	156.4	65%	0.653	79%	0.792	S	S	*	*			trans	-73.8	116.4	155.4	-104.9	-90.4	0	0	0	106.5	I57	H55-I57 PolarHBondContact O-N 3.01Å
56	M	29.1	Very low	28.2	Very low	140 Å²	140	157.4 Å²	157.4	69%	0.69	79%	0.791	S	S	*	*			trans	-67.3	112.5	160.3	-85.2	-171.5	-78.1	0	0	107.8	S58 L357	M56-S58 PolarHBondContact O-N 2.96Å; M56-L357 HydrophobicContact CE-CD1 3.13Å; M56-L357 HydrophobicContact SD-CD1 4.09Å
57	I	28.2	Very low	28.3	Very low	142 Å²	142	154.9 Å²	154.9	73%	0.728	79%	0.79	S	S	*	*			trans	-71.4	107.4	167.1	-65.2	170.1	0	0	0	106.6	H55 S59	H55-I57 PolarHBondContact O-N 3.01Å; I57-S59 VanDerWaalsContact CG2-OG 3.22Å; I57-S59 WeakPolarHBondContact CG2-OG 3.3Å; I57-S59 PolarHBondContact O-N 3.05Å
58	S	25.1	Very low	28.6	Very low	118 Å²	118	160.8 Å²	160.8	83%	0.825	80%	0.795	S	S	*	*			trans	-78.3	104.1	153.4	59.8	0	0	0	0	107.3	M56	M56-S58 PolarHBondContact O-N 2.96Å
59	S	28.4	Very low	28.8	Very low	88 Å²	88	160.7 Å²	160.7	62%	0.615	80%	0.795	S	S	*	*			trans	-143	97.8	165.6	62.3	0	0	0	0	110.2	I57	I57-S59 VanDerWaalsContact CG2-OG 3.22Å; I57-S59 WeakPolarHBondContact CG2-OG 3.3Å; I57-S59 PolarHBondContact O-N 3.05Å
60	N	26.2	Very low	28.8	Very low	154 Å²	154	156 Å²	156	82%	0.824	79%	0.785	S	S	*	*			trans	30.9	99	145	-65.8	-9.5	0	0	0	117.9
61	T	30.1	Very low	29.3	Very low	132 Å²	132	158.2 Å²	158.2	81%	0.81	79%	0.791	S	S	*	*			trans	-96.1	91.9	144.8	45.9	0	0	0	0	108.5	D63	T61-D63 PolarHBondContact O-N 3.29Å
62	T	26.4	Very low	29.6	Very low	125 Å²	125	156.6 Å²	156.6	77%	0.767	78%	0.783	S	S	*	*			trans	-76.7	94.5	155.8	41.3	0	0	0	0	107.3
63	D	32.1	Very low	29.6	Very low	144 Å²	144	155.5 Å²	155.5	77%	0.77	79%	0.785	S	S	*	*			trans	-118.6	111.7	163	-83.7	-37.6	0	0	0	109.5	T61 Y65	T61-D63 PolarHBondContact O-N 3.29Å; D63-Y65 PolarHBondContact O-N 2.97Å
64	Q	27.1	Very low	30.1	Very low	187 Å²	187	153.3 Å²	153.3	87%	0.874	78%	0.783	S	S	*	*			trans	-57	122.6	173.4	-69.3	169	-35.1	0	0	109.9
65	Y	30.9	Very low	30.2	Very low	227 Å²	227	152.7 Å²	152.7	89%	0.89	78%	0.782	S	S	*	*			trans	-130.2	116.8	157	-108.7	-91.2	0	0	0	110.2	D63	D63-Y65 PolarHBondContact O-N 2.97Å
66	H	31.5	Very low	30.6	Very low	173 Å²	173	153.8 Å²	153.8	80%	0.801	79%	0.792	S	S	*	*			trans	-50.5	141.3	-177.8	-79	-80.7	0	0	0	115.2
67	P	30.4	Very low	30.7	Very low	125 Å²	125	156.6 Å²	156.6	81%	0.812	80%	0.801	S	S	*	*			trans	-95.4	121.1	151.9	32.5	-21.6	0	0	0	109.6
68	R	34.2	Very low	31.1	Very low	238 Å²	238	155.3 Å²	155.3	90%	0.898	81%	0.805	S	S	*	*			trans	-101	112.3	162.5	-92.4	-172.5	-177.7	178.3	1.8	109.7
69	E	33	Very low	31.6	Very low	195 Å²	195	155 Å²	155	91%	0.911	80%	0.798	S	S	*	*			trans	12.7	138.4	147.7	-63.5	-179.4	152.2	0	0	121.2
70	G	28.9	Very low	31.9	Very low	61 Å²	61	158.8 Å²	158.8	63%	0.629	81%	0.805	S	S	*	*			trans	116.5	99.1	130.4	0	0	0	0	0	115.5
71	H	36.4	Very low	32.3	Very low	175 Å²	175	157.2 Å²	157.2	81%	0.81	81%	0.807	S	S	*	*				171.1	111.4	108.3	-88.6	-69.9	0	0	0	113.2
72	K	34.8	Very low	32.5	Very low	180 Å²	180	158.9 Å²	158.9	78%	0.783	81%	0.805	S	S	*	*			trans	46.6	117.7	132.8	-67.9	-176.9	177.2	179.4	0	122
73	L	28.3	Very low	33.3	Very low	148 Å²	148	156.7 Å²	156.7	78%	0.775	81%	0.807	S	S	*	*				38.9	124.6	127.7	-89.3	96.3	0	0	0	120.1
74	H	36.5	Very low	33.3	Very low	171 Å²	171	156 Å²	156	79%	0.792	80%	0.803	S	S	*	*				-172.9	136	96.1	-120.4	-78.1	0	0	0	113.5
75	N	30.4	Very low	33.8	Very low	143 Å²	143	156.3 Å²	156.3	77%	0.765	80%	0.798	S	S	*	*			trans	-65.5	150.3	163.3	-83.4	-29.9	0	0	0	111.6
76	N	35.2	Very low	34	Very low	163 Å²	163	154.4 Å²	154.4	87%	0.872	79%	0.79	S	S	*	*				-166.6	141.3	126.8	-94.3	-17.1	0	0	0	114.1
77	K	31.7	Very low	34.2	Very low	200 Å²	200	154.9 Å²	154.9	87%	0.87	79%	0.793	S	S	*	*			trans	-77.9	175.1	177.1	-77.7	175.6	169.9	177.3	0	112.8
78	S	35	Very low	34.5	Very low	115 Å²	115	154.6 Å²	154.6	80%	0.804	79%	0.793	S	S	*	*			trans	111.7	142.9	153	75.5	0	0	0	0	114.3
79	V	37.1	Very low	34.5	Very low	112 Å²	112	148.1 Å²	148.1	68%	0.679	79%	0.785	S	S	*	*			cis	-171	148.1	-0.6	127.2	0	0	0	0	107.9
80	E	33.2	Very low	34.7	Very low	166 Å²	166	146.9 Å²	146.9	78%	0.776	78%	0.784	S	S	*	*			trans	33.8	141.7	148.4	-58.5	164.9	174.4	0	0	124.7
81	S	34.9	Very low	34.9	Very low	122 Å²	122	149.4 Å²	149.4	85%	0.853	79%	0.792	S	S	*	*				-168.8	143.3	101.5	91.3	0	0	0	0	113.8
82	H	35.3	Very low	34.9	Very low	167 Å²	167	146.4 Å²	146.4	77%	0.773	79%	0.79	S	S	*	*			trans	-72.6	166.7	-172	-91.1	-91.3	0	0	0	118.1	D84	H82-D84 IonicContact ND1-OD2 3.96Å
83	G	42.3	Very low	34.7	Very low	79 Å²	79	144.9 Å²	144.9	81%	0.814	80%	0.796	S	S	*	*			trans	-172.5	88	152.2	0	0	0	0	0	113.1
84	D	32.8	Very low	35.1	Very low	129 Å²	129	142.4 Å²	142.4	69%	0.69	79%	0.791	S	S	*	*			trans	-94.3	152.4	168.2	-72	-50.7	0	0	0	110.7	H82	H82-D84 IonicContact ND1-OD2 3.96Å
85	Y	36.2	Very low	35	Very low	194 Å²	194	142.4 Å²	142.4	76%	0.761	80%	0.795	S	S	*	*			trans	-177.2	131	131.3	-99.1	-53.9	0	0	0	116.7
86	Y	37	Very low	35.5	Very low	187 Å²	187	141.1 Å²	141.1	73%	0.733	79%	0.793	S	S	*	*			trans	84.4	111.1	144.4	-68.5	-60.5	0	0	0	125.4
87	H	35.1	Very low	35.7	Very low	183 Å²	183	139.1 Å²	139.1	85%	0.847	79%	0.787	S	S	*	*			trans	-26.7	146.2	152.1	-82.7	-98.2	0	0	0	119.8
88	S	37.1	Very low	36.1	Very low	118 Å²	118	135.2 Å²	135.2	83%	0.825	78%	0.782	S	S	*	*				-176	149.5	101	59.7	0	0	0	0	112.9
89	S	33.9	Very low	36.4	Very low	103 Å²	103	138 Å²	138	72%	0.72	79%	0.786	S	S	*	*			trans	-73	146.1	-173.5	48.5	0	0	0	0	115.3
90	L	37.7	Very low	36.5	Very low	169 Å²	169	139.7 Å²	139.7	89%	0.885	79%	0.792	S	S	*	*				-162	135.8	121.5	-129.8	78.9	0	0	0	111.8
91	S	32.1	Very low	36.6	Very low	114 Å²	114	141 Å²	141	80%	0.797	80%	0.795	S	S	*	*			trans	-72.8	134.1	179.3	49.6	0	0	0	0	113.5
92	S	36.5	Very low	36.9	Very low	112 Å²	112	141.2 Å²	141.2	78%	0.783	79%	0.791	S	S	*	*			trans	-158.2	114.1	138	60	0	0	0	0	109.9	S94	S92-S94 PolarHBondContact O-N 2.88Å
93	T	30.9	Very low	37.2	Very low	147 Å²	147	139.6 Å²	139.6	90%	0.902	79%	0.786	S	S	*	*			trans	-50.2	120.5	169.9	34.1	0	0	0	0	112.8
94	S	37.3	Very low	37.6	Very low	96 Å²	96	143.6 Å²	143.6	67%	0.671	78%	0.782	S	S	*	*			trans	-140.6	120.9	147.9	59.1	0	0	0	0	109	S92 T96	S92-S94 PolarHBondContact O-N 2.88Å; S94-T96 PolarHBondContact O-N 3.13Å; S94-T96 VanDerWaalsContact O-N 3.09Å
95	I	33.3	Very low	38.6	Very low	172 Å²	172	142 Å²	142	88%	0.882	78%	0.777	S	S	*	*			trans	-70.7	100.4	176.1	-63.6	164.5	0	0	0	106.3
96	T	41	Very low	40	Very low	116 Å²	116	136.8 Å²	136.8	71%	0.712	76%	0.761	S	S	*	*			trans	-116.1	111.7	165.4	51.3	0	0	0	0	108.3	S94	S94-T96 PolarHBondContact O-N 3.13Å; S94-T96 VanDerWaalsContact O-N 3.09Å
97	T	40.2	Very low	42.3	Very low	121 Å²	121	129.9 Å²	129.9	74%	0.742	74%	0.737	S	S	*	*			trans	-43.4	141.6	169.3	35.8	0	0	0	0	111.4	L99	T97-L99 PolarHBondContact O-N 3.21Å
98	P	39.8	Very low	45.2	Very low	118 Å²	118	123.4 Å²	123.4	77%	0.766	71%	0.706	S	S	*	*			trans	-66.7	115.6	179.3	27.9	-30.6	0	0	0	108.2	N100	P98-N100 PolarHBondContact O-N 3.48Å
99	L	39.8	Very low	48	Very low	172 Å²	172	117.9 Å²	117.9	90%	0.901	67%	0.668	S	S	*	*			trans	-59.2	110.9	168.2	-147.9	96.5	0	0	0	106.5	T97 K101	T97-L99 PolarHBondContact O-N 3.21Å; L99-K101 PolarHBondContact O-N 2.83Å
100	N	39.6	Very low	50.9	Low	148 Å²	148	113 Å²	113	79%	0.791	63%	0.633	S	S	*	*			trans	-48.8	111.2	175.2	-99.8	-19	0	0	0	108.7	P98 V102	P98-N100 PolarHBondContact O-N 3.48Å; N100-V102 VanDerWaalsContact C-N 3.33Å; N100-V102 PolarHBondContact O-N 3.49Å
101	K	36.5	Very low	53.6	Low	194 Å²	194	105 Å²	105	84%	0.843	59%	0.591	S	S	*	*			trans	-58.9	100.3	169.1	-165.5	176.6	-172.3	178.3	0	105.7	L99 I103	L99-K101 PolarHBondContact O-N 2.83Å; K101-I103 PolarHBondContact O-N 3Å
102	V	41.2	Very low	56.6	Low	127 Å²	127	101.6 Å²	101.6	77%	0.77	56%	0.562	S	S	*	*			trans	-61.1	94.7	172.5	178.4	0	0	0	0	105.8	N100 K104	N100-V102 VanDerWaalsContact C-N 3.33Å; N100-V102 PolarHBondContact O-N 3.49Å; V102-K104 PolarHBondContact O-N 2.88Å
103	I	40.8	Very low	59.2	Low	132 Å²	132	98.1 Å²	98.1	68%	0.677	53%	0.534	S	S	*	.			trans	-61	108.1	166.7	-62.2	174.1	0	0	0	103.7	K101 T105	K101-I103 PolarHBondContact O-N 3Å; I103-T105 HydrophobicContact CG2-CG2 4.16Å; I103-T105 PolarHBondContact O-N 3.3Å
104	K	49.9	Very low	62.1	Low	164 Å²	164	91.2 Å²	91.2	71%	0.713	49%	0.492	S	S	*	.			trans	-61.5	87.6	167.6	-95.8	-178.2	172.9	177.9	0	106.5	V102 I106	V102-K104 PolarHBondContact O-N 2.88Å; K104-I106 PolarHBondContact O-N 3.26Å
105	T	55.6	Low	64.6	Low	96 Å²	96	89.9 Å²	89.9	59%	0.589	48%	0.477	S	S	*	.			trans	-66.4	107	171.6	46	0	0	0	0	106.5	I103 N107	I103-T105 HydrophobicContact CG2-CG2 4.16Å; I103-T105 PolarHBondContact O-N 3.3Å; T105-N107 PolarHBondContact O-N 3.42Å; T105-N107 PolarHBondContact O-OD1 2.76Å
106	I	65.6	Low	67.5	Low	84 Å²	84	81.7 Å²	81.7	43%	0.431	44%	0.435	S	S	.	.			trans	-71.4	114.5	172.5	-62.4	170.8	0	0	0	106.6	K104 F108 N267	K104-I106 PolarHBondContact O-N 3.26Å; I106-F108 HydrophobicContact CB-CD2 4.34Å; I106-F108 HydrophobicContact CB-CE2 3.81Å; I106-F108 HydrophobicContact CB-CZ 4.4Å; I106-F108 HydrophobicContact CG2-CD2 3.77Å; I106-F108 HydrophobicContact CG2-CE1 4.12Å; I106-F108 HydrophobicContact CG2-CE2 3.2Å; I106-F108 HydrophobicContact CG2-CG 4.44Å; I106-F108 HydrophobicContact CG2-CZ 3.4Å; I106-F108 VanDerWaalsContact CG2-CZ 3.4Å; I106-F108 PolarHBondContact O-N 3.24Å; I106-N267 WeakPolarHBondContact CG2-OD1 3.39Å
107	N	85.4	Confident	70.1	Confident	42 Å²	42	77.4 Å²	77.4	23%	0.225	41%	0.406	C	S	.	.			trans	-86.1	103.5	-176	-60	-34.9	0	0	0	109.4	T105 G266 D277	T105-N107 PolarHBondContact O-N 3.42Å; T105-N107 PolarHBondContact O-OD1 2.76Å; N107-G266 WeakPolarHBondContact O-CA 3.47Å; N107-D277 HydrophobicContact CB-CB 4.33Å; N107-D277 WeakPolarHBondContact ND2-CA 3.35Å; N107-D277 WeakPolarHBondContact ND2-CB 3.5Å
108	F	94.4	Very high	72.8	Confident	46 Å²	46	71.6 Å²	71.6	20%	0.202	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	148.4	168.3	-63.3	-79.4	0	0	0	109.2	I106 W190 L265 N302 C303	I106-F108 HydrophobicContact CB-CD2 4.34Å; I106-F108 HydrophobicContact CB-CE2 3.81Å; I106-F108 HydrophobicContact CB-CZ 4.4Å; I106-F108 HydrophobicContact CG2-CD2 3.77Å; I106-F108 HydrophobicContact CG2-CE1 4.12Å; I106-F108 HydrophobicContact CG2-CE2 3.2Å; I106-F108 HydrophobicContact CG2-CG 4.44Å; I106-F108 HydrophobicContact CG2-CZ 3.4Å; I106-F108 VanDerWaalsContact CG2-CZ 3.4Å; I106-F108 PolarHBondContact O-N 3.24Å; F108-W190 AromaticContact CD1-CH2 3.24Å; F108-W190 HydrophobicContact CD1-CH2 3.24Å; F108-W190 AromaticContact CD1-CZ2 3.9Å; F108-W190 HydrophobicContact CD1-CZ2 3.9Å; F108-W190 AromaticContact CD1-CZ3 3.77Å; F108-W190 HydrophobicContact CD1-CZ3 3.77Å; F108-W190 HydrophobicContact CE1-CE3 4.34Å; F108-W190 AromaticContact CE1-CH2 3.47Å; F108-W190 HydrophobicContact CE1-CH2 3.47Å; F108-W190 VanDerWaalsContact CE1-CH2 3.47Å; F108-W190 AromaticContact CE1-CZ2 3.89Å; F108-W190 HydrophobicContact CE1-CZ2 3.89Å; F108-W190 AromaticContact CE1-CZ3 3.73Å; F108-W190 HydrophobicContact CE1-CZ3 3.73Å; F108-W190 HydrophobicContact CG-CH2 4.1Å; F108-W190 HydrophobicContact CZ-CH2 4.45Å; F108-W190 HydrophobicContact CZ-CZ2 4.48Å; F108-L265 CarbonylContact C-O 3.23Å; F108-L265 WeakPolarHBondContact CA-O 3.45Å; F108-N302 VanDerWaalsContact O-CA 3.28Å; F108-N302 WeakPolarHBondContact O-CA 3.31Å; F108-N302 PolarHBondContact O-N 3.03Å; F108-C303 HydrophobicContact CB-CB 4.24Å
109	I	95.7	Very high	75.4	Confident	3 Å²	3	67.3 Å²	67.3	2%	0.015	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	146.4	175.4	56.9	173.1	0	0	0	109.1	F111 L118 I240 C264 L265 L278 L279 V300 N302	I109-F111 HydrophobicContact CD1-CD2 4.46Å; I109-F111 HydrophobicContact CD1-CE2 3.43Å; I109-F111 VanDerWaalsContact CD1-CE2 3.43Å; I109-F111 HydrophobicContact CD1-CZ 3.77Å; I109-F111 HydrophobicContact CG1-CE2 3.95Å; I109-L118 HydrophobicContact CD1-CD1 3.49Å; I109-L118 VanDerWaalsContact CD1-CD1 3.49Å; I109-I240 HydrophobicContact CD1-CG2 4.36Å; I109-C264 CarbonylContact O-C 3.57Å; I109-C264 VanDerWaalsContact O-CA 3.27Å; I109-C264 WeakPolarHBondContact O-CA 3.2Å; I109-L265 HydrophobicContact CD1-CD2 4.34Å; I109-L265 HydrophobicContact CG1-CB 4.17Å; I109-L265 HydrophobicContact CG1-CD2 4.45Å; I109-L265 WeakPolarHBondContact CG1-O 3.41Å; I109-L265 PolarHBondContact N-O 2.78Å; I109-L265 PolarHBondContact O-N 2.91Å; I109-L278 HydrophobicContact CD1-CB 4.28Å; I109-L278 HydrophobicContact CD1-CD1 4.32Å; I109-L279 HydrophobicContact CG2-CB 3.94Å; I109-V300 CarbonylContact C-O 3.3Å; I109-V300 WeakPolarHBondContact CA-O 3.48Å; I109-N302 CarbonylContact C-O 3.52Å
110	T	95.5	Very high	78.1	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	124.6	174.7	-58.1	0	0	0	0	110.5	K112 G263 I299 V300 N302 C303 H304 W356	T110-K112 HydrophobicContact CG2-CG 4.43Å; T110-G263 CarbonylContact C-O 3.5Å; T110-G263 WeakPolarHBondContact CA-O 3.14Å; T110-I299 WeakPolarHBondContact O-CA 3.22Å; T110-V300 HydrophobicContact CG2-CG2 4.47Å; T110-V300 PolarHBondContact N-O 3.27Å; T110-V300 PolarHBondContact O-N 3.12Å; T110-V300 VanDerWaalsContact O-N 3.12Å; T110-N302 PolarHBondContact N-O 3.01Å; T110-N302 PolarHBondContact OG1-O 3.41Å; T110-C303 WeakPolarHBondContact OG1-CA 3.44Å; T110-H304 HydrophobicContact CG2-CB 4.44Å; T110-H304 PolarHBondContact OG1-N 3.13Å; T110-W356 HydrophobicContact CG2-CE3 4.21Å; T110-W356 HydrophobicContact CG2-CH2 3.93Å; T110-W356 HydrophobicContact CG2-CZ3 3.51Å
111	F	95.7	Very high	80.7	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	110.1	165.7	-67	-93.7	0	0	0	109	I109 C116 L118 I240 F261 Q262 G263 I299	I109-F111 HydrophobicContact CD1-CD2 4.46Å; I109-F111 HydrophobicContact CD1-CE2 3.43Å; I109-F111 VanDerWaalsContact CD1-CE2 3.43Å; I109-F111 HydrophobicContact CD1-CZ 3.77Å; I109-F111 HydrophobicContact CG1-CE2 3.95Å; F111-C116 HydrophobicContact CD1-CB 4.35Å; F111-L118 HydrophobicContact CE1-CG 4.1Å; F111-L118 HydrophobicContact CZ-CD1 4Å; F111-L118 HydrophobicContact CZ-CG 3.9Å; F111-I240 WeakPolarHBondContact CE1-O 3.23Å; F111-I240 HydrophobicContact CE2-CG2 3.95Å; F111-I240 HydrophobicContact CZ-CB 4.28Å; F111-I240 HydrophobicContact CZ-CG2 3.8Å; F111-I240 WeakPolarHBondContact CZ-O 3.38Å; F111-F261 HydrophobicContact CB-CD1 4.43Å; F111-F261 WeakPolarHBondContact CB-O 3.29Å; F111-F261 HydrophobicContact CD2-CD1 4.05Å; F111-F261 HydrophobicContact CD2-CE1 4.37Å; F111-F261 HydrophobicContact CG-CD1 4.49Å; F111-Q262 WeakPolarHBondContact O-CG 3.04Å; F111-Q262 PolarHBondContact O-NE2 3.15Å; F111-Q262 VanDerWaalsContact O-NE2 3.14Å; F111-G263 PolarHBondContact N-O 3.47Å; F111-G263 PolarHBondContact O-N 3.03Å; F111-G263 VanDerWaalsContact O-N 3.08Å; F111-I299 HydrophobicContact CD1-CD1 4.18Å; F111-I299 HydrophobicContact CD1-CG1 3.97Å; F111-I299 HydrophobicContact CE1-CD1 3.85Å; F111-I299 HydrophobicContact CE1-CG1 4.08Å; F111-I299 HydrophobicContact CE1-CG2 4.27Å
112	K	93.2	Very high	83.5	Confident	44 Å²	44	45.4 Å²	45.4	19%	0.191	24%	0.237	C	C	.	.			trans	-75.8	-28	-178.1	-72	-172.1	-167.1	157.6	0	113.4	T110 D297 Q298 W356	T110-K112 HydrophobicContact CG2-CG 4.43Å; K112-D297 PolarHBondContact NZ-O 3.01Å; K112-Q298 HydrophobicContact CB-CB 4.27Å; K112-Q298 VanDerWaalsContact CB-O 3.24Å; K112-Q298 WeakPolarHBondContact CB-O 3.31Å; K112-Q298 WeakPolarHBondContact CG-O 3.32Å; K112-Q298 PolarHBondContact N-O 3.43Å; K112-W356 HydrophobicContact CB-CB 3.84Å; K112-W356 HydrophobicContact CB-CD2 4.43Å; K112-W356 HydrophobicContact CB-CE3 4.38Å; K112-W356 HydrophobicContact CB-CG 4.23Å; K112-W356 HydrophobicContact CD-CB 4.31Å; K112-W356 HydrophobicContact CD-CD2 4.27Å; K112-W356 HydrophobicContact CD-CG 4.01Å; K112-W356 HydrophobicContact CG-CB 4.11Å; K112-W356 HydrophobicContact CG-CD2 3.86Å; K112-W356 HydrophobicContact CG-CE3 3.95Å; K112-W356 HydrophobicContact CG-CG 3.94Å; K112-W356 PolarHBondContact O-N 3Å
113	I	91.4	Very high	86	Confident	39 Å²	39	39.6 Å²	39.6	20%	0.2	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-138	149.1	180	65.2	177.1	0	0	0	110.5	D115 C116 Q298	I113-D115 PolarHBondContact O-N 2.71Å; I113-C116 WeakPolarHBondContact CD1-SG 3.48Å; I113-C116 HydrophobicContact CG1-CB 4.18Å; I113-C116 WeakPolarHBondContact CG1-SG 3.18Å; I113-C116 PolarHBondContact O-N 3.03Å; I113-Q298 HydrophobicContact CD1-CB 4.32Å; I113-Q298 HydrophobicContact CD1-CG 4.03Å; I113-Q298 HydrophobicContact CG1-CB 4.15Å; I113-Q298 HydrophobicContact CG1-CG 4.36Å
114	S	92.1	Very high	88.5	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.007	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-13.4	-175.8	63.6	0	0	0	0	115	C116 G260 K360	S114-C116 VanDerWaalsContact C-N 3.32Å; S114-G260 VanDerWaalsContact CB-O 3.29Å; S114-G260 WeakPolarHBondContact CB-O 3.08Å; S114-G260 CarbonylContact O-C 3.58Å; S114-G260 WeakPolarHBondContact O-CA 3.49Å; S114-G260 PolarHBondContact O-N 2.77Å; S114-K360 VanDerWaalsContact OG-CE 3.24Å; S114-K360 WeakPolarHBondContact OG-CE 3.34Å; S114-K360 PolarHBondContact OG-NZ 3.25Å
115	D	90.1	Very high	90.6	Very high	69 Å²	69	30.8 Å²	30.8	37%	0.369	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-5	-177.8	-50.6	-29.4	0	0	0	112	I113 H259 K360	I113-D115 PolarHBondContact O-N 2.71Å; D115-H259 IonicContact OD1-ND1 2.64Å; D115-H259 PolarHBondContact OD1-ND1 2.99Å; D115-K360 IonicContact OD1-NZ 3.52Å; D115-K360 PolarHBondContact OD1-NZ 2.84Å; D115-K360 IonicContact OD2-NZ 3.77Å; D115-K360 PolarHBondContact OD2-NZ 3.14Å
116	C	94.7	Very high	92.3	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.151	C	C	.	.			trans	-90.6	145.9	-179.6	-66.6	0	0	0	0	112.5	F111 I113 S114 G241 C295 I299	F111-C116 HydrophobicContact CD1-CB 4.35Å; I113-C116 WeakPolarHBondContact CD1-SG 3.48Å; I113-C116 HydrophobicContact CG1-CB 4.18Å; I113-C116 WeakPolarHBondContact CG1-SG 3.18Å; I113-C116 PolarHBondContact O-N 3.03Å; S114-C116 VanDerWaalsContact C-N 3.32Å; C116-G241 CarbonylContact O-C 3.58Å; C116-C295 WeakPolarHBondContact CA-SG 3.29Å; C116-C295 HydrophobicContact CB-CB 3.7Å; C116-C295 WeakPolarHBondContact CB-SG 3.46Å; C116-C295 VanDerWaalsContact SG-CA 3.52Å; C116-C295 WeakPolarHBondContact SG-CB 3.48Å; C116-C295 CovalentContact SG-SG 2.03Å; C116-C295 PolarHBondContact SG-SG 3.1Å; C116-I299 HydrophobicContact CB-CD1 4.03Å; C116-I299 HydrophobicContact CB-CG1 3.93Å
117	Y	96	Very high	93.3	Very high	25 Å²	25	32.5 Å²	32.5	10%	0.098	16%	0.156	C	C	.	.			trans	-146	156.7	177.9	60.5	-95.5	0	0	0	111.3	Y239 I240 G242 T291 L292 I299	Y117-Y239 AromaticContact CD2-CD1 3.86Å; Y117-Y239 HydrophobicContact CD2-CD1 3.86Å; Y117-Y239 HydrophobicContact CD2-CE1 4.18Å; Y117-Y239 HydrophobicContact CE2-CD1 4.26Å; Y117-Y239 HydrophobicContact CE2-CE1 4.11Å; Y117-I240 CarbonylContact C-O 3.54Å; Y117-I240 WeakPolarHBondContact CA-O 3.31Å; Y117-G242 WeakPolarHBondContact CB-O 3.43Å; Y117-T291 WeakPolarHBondContact O-CB 2.98Å; Y117-T291 PolarHBondContact O-OG1 2.04Å; Y117-L292 HydrophobicContact CD1-CG 4.47Å; Y117-L292 HydrophobicContact CE1-CD1 3.87Å; Y117-L292 HydrophobicContact CE1-CD2 4.06Å; Y117-L292 HydrophobicContact CE1-CG 3.6Å; Y117-L292 WeakPolarHBondContact OH-CD2 3.33Å; Y117-I299 WeakPolarHBondContact O-CD1 3.47Å
118	L	96.3	Very high	93.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	137.3	168.4	-66	177.3	0	0	0	110.5	I109 F111 Y239 I240 L278 L279 A282 W290 I299	I109-L118 HydrophobicContact CD1-CD1 3.49Å; I109-L118 VanDerWaalsContact CD1-CD1 3.49Å; F111-L118 HydrophobicContact CE1-CG 4.1Å; F111-L118 HydrophobicContact CZ-CD1 4Å; F111-L118 HydrophobicContact CZ-CG 3.9Å; L118-Y239 WeakPolarHBondContact O-CA 3.28Å; L118-I240 HydrophobicContact CB-CB 4.21Å; L118-I240 PolarHBondContact N-O 2.9Å; L118-I240 PolarHBondContact O-N 2.82Å; L118-L278 HydrophobicContact CD1-CB 4.41Å; L118-L279 HydrophobicContact CD1-CD1 4.31Å; L118-L279 HydrophobicContact CD2-CD1 3.71Å; L118-A282 HydrophobicContact CB-CB 4.46Å; L118-A282 HydrophobicContact CD2-CB 4.36Å; L118-W290 WeakPolarHBondContact CA-O 3.36Å; L118-W290 HydrophobicContact CD2-CE3 3.46Å; L118-W290 VanDerWaalsContact CD2-CE3 3.46Å; L118-W290 HydrophobicContact CD2-CZ3 3.52Å; L118-I299 HydrophobicContact CD1-CG2 4.27Å; L118-I299 HydrophobicContact CD2-CD1 3.6Å; L118-I299 HydrophobicContact CD2-CG2 4.02Å; L118-I299 HydrophobicContact CG-CD1 4Å; L118-I299 HydrophobicContact CG-CG2 4.22Å
119	H	94.4	Very high	93.7	Very high	27 Å²	27	36.8 Å²	36.8	13%	0.125	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	111.6	173.9	-168.5	-141.7	0	0	0	109.5	P237 Y239 A282 Y286 W290	H119-P237 WeakPolarHBondContact CD2-CB 3.46Å; H119-P237 WeakPolarHBondContact NE2-CB 3.18Å; H119-P237 WeakPolarHBondContact NE2-CG 3.39Å; H119-Y239 AromaticContact CD2-CE1 3.77Å; H119-Y239 AromaticContact CD2-CZ 3.88Å; H119-A282 WeakPolarHBondContact O-CA 3.2Å; H119-A282 VanDerWaalsContact O-CB 3.22Å; H119-A282 WeakPolarHBondContact O-CB 3.03Å; H119-Y286 HydrophobicContact CB-CD2 4.29Å; H119-Y286 AromaticContact CE1-CD1 3.59Å; H119-Y286 AromaticContact CE1-CE1 3.34Å; H119-Y286 WeakPolarHBondContact CE1-CE1 3.37Å; H119-Y286 AromaticContact CE1-CZ 3.68Å; H119-Y286 AromaticContact ND1-CD1 3.3Å; H119-Y286 VanDerWaalsContact ND1-CD1 3.3Å; H119-Y286 WeakPolarHBondContact ND1-CD1 3.12Å; H119-Y286 AromaticContact ND1-CD2 3.61Å; H119-Y286 AromaticContact ND1-CE1 3.45Å; H119-Y286 WeakPolarHBondContact ND1-CE1 3.27Å; H119-Y286 AromaticContact ND1-CE2 3.75Å; H119-Y286 AromaticContact ND1-CG 3.37Å; H119-Y286 AromaticContact ND1-CZ 3.68Å; H119-Y286 WeakPolarHBondContact O-CD2 3.38Å; H119-Y286 WeakPolarHBondContact O-CE2 3.47Å; H119-W290 WeakPolarHBondContact CB-O 3.4Å; H119-W290 PolarHBondContact N-O 3.28Å
120	N	95.8	Very high	93.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	160.9	-173.7	-87.9	-63.3	0	0	0	112.1	L238 L278 A282	N120-L238 WeakPolarHBondContact CA-O 3.45Å; N120-L238 HydrophobicContact CB-CB 3.95Å; N120-L238 HydrophobicContact CB-CD2 4.1Å; N120-L238 HydrophobicContact CB-CG 4.12Å; N120-L238 WeakPolarHBondContact CB-O 3.38Å; N120-L238 PolarHBondContact N-O 2.94Å; N120-L238 PolarHBondContact O-N 3.45Å; N120-L278 PolarHBondContact ND2-O 2.87Å; N120-L278 PolarHBondContact OD1-O 3.35Å; N120-L278 VanDerWaalsContact OD1-O 3.08Å; N120-A282 PolarHBondContact OD1-N 3.16Å
121	P	94.7	Very high	93.9	Very high	33 Å²	33	40.2 Å²	40.2	21%	0.214	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-51.9	143.6	169.3	-17.2	23.6	0	0	0	112.3	L238 M281 K285	P121-L238 WeakPolarHBondContact O-CB 3.27Å; P121-M281 HydrophobicContact CG-CG 3.7Å; P121-M281 HydrophobicContact CG-SD 3.63Å; P121-K285 HydrophobicContact CB-CD 4.04Å; P121-K285 HydrophobicContact CG-CD 3.56Å
122	S	95	Very high	93.9	Very high	22 Å²	22	43.4 Å²	43.4	15%	0.154	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-58.3	150.2	174.9	-163.7	0	0	0	0	112.1	N147 L234 D236	S122-N147 PolarHBondContact OG-ND2 3.01Å; S122-N147 PolarHBondContact OG-OD1 2.91Å; S122-L234 WeakPolarHBondContact CB-O 3.44Å; S122-L234 PolarHBondContact OG-O 3.45Å; S122-D236 WeakPolarHBondContact CB-O 3.42Å; S122-D236 PolarHBondContact OG-O 3Å
123	M	94.7	Very high	94.2	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.02	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-82.4	151	174.6	-60	-173.6	-68.6	0	0	111.6	L125 L131 L145 N147 L156 L234 L238 F268 I270	M123-L125 HydrophobicContact CB-CG 4.24Å; M123-L125 HydrophobicContact CE-CD1 4.33Å; M123-L131 HydrophobicContact SD-CD1 4Å; M123-L131 HydrophobicContact SD-CD2 4.41Å; M123-L145 HydrophobicContact CE-CD2 3.9Å; M123-N147 WeakPolarHBondContact CB-OD1 3.39Å; M123-N147 HydrophobicContact CE-CB 3.68Å; M123-N147 PolarHBondContact N-OD1 2.88Å; M123-L156 HydrophobicContact CE-CD1 3.85Å; M123-L156 HydrophobicContact CE-CD2 3.97Å; M123-L156 HydrophobicContact CE-CG 4.14Å; M123-L234 HydrophobicContact CB-CD1 4.26Å; M123-L234 HydrophobicContact CE-CD1 3.93Å; M123-L238 HydrophobicContact CE-CD1 3.96Å; M123-L238 HydrophobicContact CG-CD1 4.2Å; M123-L238 HydrophobicContact CG-CD2 3.83Å; M123-L238 HydrophobicContact CG-CG 4.45Å; M123-L238 HydrophobicContact SD-CD1 4.1Å; M123-L238 HydrophobicContact SD-CD2 4.26Å; M123-F268 HydrophobicContact CG-CZ 4.33Å; M123-F268 HydrophobicContact SD-CE2 4.32Å; M123-F268 HydrophobicContact SD-CZ 3.66Å; M123-I270 HydrophobicContact CB-CD1 3.87Å; M123-I270 HydrophobicContact CG-CD1 3.67Å; M123-I270 HydrophobicContact SD-CD1 3.99Å
124	H	92.7	Very high	94.4	Very high	112 Å²	112	40.1 Å²	40.1	52%	0.519	18%	0.18	S	C	.	.			trans	-116.6	95.7	175.2	-64.6	-49.4	0	0	0	109.7	Y126	H124-Y126 HydrophobicContact CB-CD2 4.19Å; H124-Y126 HydrophobicContact CB-CE2 3.83Å
125	L	94	Very high	94.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-114.9	82.8	-176.8	-54.3	-179	0	0	0	110.3	M123 F129 L156 F232 L234 I270	M123-L125 HydrophobicContact CB-CG 4.24Å; M123-L125 HydrophobicContact CE-CD1 4.33Å; L125-F129 HydrophobicContact CB-CB 4.23Å; L125-F129 HydrophobicContact CB-CD1 4.09Å; L125-F129 HydrophobicContact CB-CD2 4.26Å; L125-F129 HydrophobicContact CB-CG 3.93Å; L125-F129 HydrophobicContact CD1-CD2 4.23Å; L125-F129 HydrophobicContact CD1-CE2 4.24Å; L125-F129 HydrophobicContact CD2-CB 4.04Å; L125-F129 HydrophobicContact CD2-CD2 3.89Å; L125-F129 HydrophobicContact CD2-CG 4.1Å; L125-F129 HydrophobicContact CG-CD2 4.35Å; L125-F129 HydrophobicContact CG-CG 4.45Å; L125-L156 HydrophobicContact CD1-CD2 3.58Å; L125-F232 HydrophobicContact CB-CB 4.17Å; L125-F232 HydrophobicContact CB-CD2 4.11Å; L125-F232 HydrophobicContact CD1-CD2 4.25Å; L125-F232 PolarHBondContact O-N 2.95Å; L125-L234 HydrophobicContact CD1-CD1 4.4Å; L125-I270 HydrophobicContact CD2-CD1 4.48Å; L125-I270 HydrophobicContact CD2-CG2 3.75Å
126	Y	90.3	Very high	95	Very high	101 Å²	101	39.4 Å²	39.4	40%	0.396	17%	0.171	S	C	.	.			trans	-106.8	144.2	-179.6	-61.3	-75.2	0	0	0	111.1	H124 R128 N231	H124-Y126 HydrophobicContact CB-CD2 4.19Å; H124-Y126 HydrophobicContact CB-CE2 3.83Å; Y126-R128 CarbonylContact O-C 3.57Å; Y126-R128 VanDerWaalsContact O-C 3.3Å; Y126-R128 PolarHBondContact O-N 2.91Å; Y126-R128 VanDerWaalsContact O-O 3.08Å; Y126-N231 HydrophobicContact CD1-CB 3.99Å
127	E	87.4	Confident	94.9	Very high	115 Å²	115	39.6 Å²	39.6	54%	0.537	17%	0.173	S	C	.	.	S	Bend	trans	43.5	-108.3	173.8	-50.1	-165.5	163.5	0	0	111.1	F129 R197 L200 N231	E127-F129 PolarHBondContact O-N 3.21Å; E127-R197 VanDerWaalsContact N-NH2 3.17Å; E127-R197 PolarHBondContact O-NE 2.97Å; E127-R197 PolarHBondContact O-NH2 3.18Å; E127-L200 HydrophobicContact CB-CD1 3.77Å; E127-L200 HydrophobicContact CB-CG 4.31Å; E127-L200 HydrophobicContact CG-CD1 3.77Å; E127-N231 PolarHBondContact N-OD1 3.03Å
128	R	93.3	Very high	94.6	Very high	173 Å²	173	39.4 Å²	39.4	65%	0.653	18%	0.175	S	C	*	.	S	Bend	trans	-83.1	120.8	172.8	-63	177.5	169.7	147.6	0.6	110.4	Y126 R197 E198	Y126-R128 CarbonylContact O-C 3.57Å; Y126-R128 VanDerWaalsContact O-C 3.3Å; Y126-R128 PolarHBondContact O-N 2.91Å; Y126-R128 VanDerWaalsContact O-O 3.08Å; R128-R197 WeakPolarHBondContact CA-O 3.25Å; R128-E198 VanDerWaalsContact CD-O 3.24Å; R128-E198 WeakPolarHBondContact CD-O 3.48Å; R128-E198 WeakPolarHBondContact CG-O 3.49Å; R128-E198 PolarHBondContact NE-O 2.85Å
129	F	95.5	Very high	94.3	Very high	5 Å²	5	39.6 Å²	39.6	2%	0.022	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	158.9	174.7	72.6	-92.9	0	0	0	111.6	L125 E127 L195 F196 R197 L205 F232 N271	L125-F129 HydrophobicContact CB-CB 4.23Å; L125-F129 HydrophobicContact CB-CD1 4.09Å; L125-F129 HydrophobicContact CB-CD2 4.26Å; L125-F129 HydrophobicContact CB-CG 3.93Å; L125-F129 HydrophobicContact CD1-CD2 4.23Å; L125-F129 HydrophobicContact CD1-CE2 4.24Å; L125-F129 HydrophobicContact CD2-CB 4.04Å; L125-F129 HydrophobicContact CD2-CD2 3.89Å; L125-F129 HydrophobicContact CD2-CG 4.1Å; L125-F129 HydrophobicContact CG-CD2 4.35Å; L125-F129 HydrophobicContact CG-CG 4.45Å; E127-F129 PolarHBondContact O-N 3.21Å; F129-L195 HydrophobicContact CE2-CD2 3.99Å; F129-L195 HydrophobicContact CE2-CG 3.98Å; F129-L195 HydrophobicContact CZ-CD2 4.28Å; F129-L195 HydrophobicContact CZ-CG 4.36Å; F129-F196 WeakPolarHBondContact O-CA 3.49Å; F129-F196 VanDerWaalsContact O-CB 3.23Å; F129-F196 WeakPolarHBondContact O-CB 3.29Å; F129-R197 HydrophobicContact CD1-CB 4.13Å; F129-R197 HydrophobicContact CE1-CB 3.86Å; F129-R197 HydrophobicContact CZ-CB 4.44Å; F129-R197 PolarHBondContact O-N 2.91Å; F129-L205 HydrophobicContact CE1-CD2 3.96Å; F129-L205 HydrophobicContact CZ-CD2 3.86Å; F129-F232 HydrophobicContact CE1-CD2 4.03Å; F129-F232 AromaticContact CE1-CE2 3.9Å; F129-F232 HydrophobicContact CE1-CE2 3.9Å; F129-F232 HydrophobicContact CZ-CD2 4.14Å; F129-F232 AromaticContact CZ-CE2 3.71Å; F129-F232 HydrophobicContact CZ-CE2 3.71Å; F129-N271 WeakPolarHBondContact CA-OD1 3.43Å; F129-N271 WeakPolarHBondContact CB-OD1 3.5Å
130	R	96.7	Very high	94.1	Very high	74 Å²	74	41.8 Å²	41.8	28%	0.279	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	106	172.4	-176.1	173.6	-66.3	-113.5	1.2	109.6	K132 E194 F196 I270 N271	R130-K132 HydrophobicContact CG-CG 4.34Å; R130-E194 VanDerWaalsContact CD-OE1 3.29Å; R130-E194 WeakPolarHBondContact CD-OE1 3.36Å; R130-E194 HydrophobicContact CG-CG 4.37Å; R130-E194 IonicContact CZ-OE1 3.67Å; R130-E194 IonicContact NE-OE1 3.27Å; R130-E194 VanDerWaalsContact NH1-CD 3.32Å; R130-E194 IonicContact NH1-OE1 3.71Å; R130-E194 PolarHBondContact NH1-OE1 2.78Å; R130-E194 IonicContact NH1-OE2 3.8Å; R130-F196 HydrophobicContact CB-CB 4.08Å; R130-F196 HydrophobicContact CG-CB 4.1Å; R130-I270 CarbonylContact O-C 3.56Å; R130-I270 WeakPolarHBondContact O-CA 3.28Å; R130-N271 PolarHBondContact N-OD1 2.98Å; R130-N271 PolarHBondContact O-N 3.39Å
131	L	97.4	Very high	93.8	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	130.6	174.3	174.8	64.8	0	0	0	109.1	M123 F158 E194 L195 F268 I270	M123-L131 HydrophobicContact SD-CD1 4Å; M123-L131 HydrophobicContact SD-CD2 4.41Å; L131-F158 HydrophobicContact CD2-CE2 3.93Å; L131-E194 WeakPolarHBondContact O-CA 3.43Å; L131-L195 HydrophobicContact CB-CB 4.42Å; L131-L195 PolarHBondContact N-O 2.85Å; L131-L195 PolarHBondContact O-N 2.87Å; L131-F268 HydrophobicContact CD1-CD2 4.46Å; L131-F268 HydrophobicContact CD1-CE2 3.62Å; L131-F268 HydrophobicContact CD1-CZ 3.76Å; L131-I270 HydrophobicContact CD1-CG1 3.93Å
132	K	97.2	Very high	93.8	Very high	67 Å²	67	42 Å²	42	29%	0.291	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	142.8	177.5	-69	177.8	171.6	-179	0	110.8	R130 V193 E194 F268 S269	R130-K132 HydrophobicContact CG-CG 4.34Å; K132-V193 WeakPolarHBondContact CA-O 3.18Å; K132-E194 WeakPolarHBondContact CE-OE1 3.42Å; K132-E194 HydrophobicContact CG-CB 4.42Å; K132-E194 HydrophobicContact CG-CG 4.08Å; K132-E194 IonicContact NZ-OE1 3.77Å; K132-E194 PolarHBondContact NZ-OE1 3.19Å; K132-F268 CarbonylContact O-C 3.57Å; K132-F268 VanDerWaalsContact O-CA 3.26Å; K132-F268 WeakPolarHBondContact O-CA 3.35Å; K132-S269 WeakPolarHBondContact CB-OG 3.34Å; K132-S269 PolarHBondContact N-O 3.04Å; K132-S269 PolarHBondContact O-N 3.43Å
133	F	97.5	Very high	93.9	Very high	1 Å²	1	41 Å²	41	0%	0.004	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	158.2	165.7	62.6	-86.4	0	0	0	109.9	F135 I144 F158 V193 F268	F133-F135 HydrophobicContact CD2-CD1 4.33Å; F133-F135 AromaticContact CE2-CD1 3.89Å; F133-F135 HydrophobicContact CE2-CD1 3.89Å; F133-I144 HydrophobicContact CE2-CG2 4.05Å; F133-F158 HydrophobicContact CE1-CD1 4.43Å; F133-F158 AromaticContact CE1-CD2 3.96Å; F133-F158 HydrophobicContact CE1-CD2 3.96Å; F133-F158 HydrophobicContact CE1-CE1 4.43Å; F133-F158 AromaticContact CE1-CE2 3.97Å; F133-F158 HydrophobicContact CE1-CE2 3.97Å; F133-F158 HydrophobicContact CE1-CG 4.19Å; F133-F158 HydrophobicContact CE1-CZ 4.2Å; F133-F158 HydrophobicContact CZ-CB 4.28Å; F133-F158 HydrophobicContact CZ-CD1 4.08Å; F133-F158 HydrophobicContact CZ-CD2 4.12Å; F133-F158 HydrophobicContact CZ-CE1 4.44Å; F133-F158 HydrophobicContact CZ-CE2 4.48Å; F133-F158 AromaticContact CZ-CG 3.89Å; F133-F158 HydrophobicContact CZ-CG 3.89Å; F133-V193 HydrophobicContact CD1-CB 4.18Å; F133-V193 HydrophobicContact CD1-CG1 4.47Å; F133-V193 HydrophobicContact CD2-CB 4.23Å; F133-V193 HydrophobicContact CD2-CG2 4.29Å; F133-V193 HydrophobicContact CE1-CB 3.77Å; F133-V193 HydrophobicContact CE1-CG1 3.68Å; F133-V193 HydrophobicContact CE1-CG2 4.44Å; F133-V193 HydrophobicContact CE2-CB 3.83Å; F133-V193 HydrophobicContact CE2-CG1 4.37Å; F133-V193 HydrophobicContact CE2-CG2 3.66Å; F133-V193 HydrophobicContact CG-CB 4.4Å; F133-V193 HydrophobicContact CZ-CB 3.59Å; F133-V193 HydrophobicContact CZ-CG1 3.63Å; F133-V193 HydrophobicContact CZ-CG2 3.75Å; F133-V193 PolarHBondContact N-O 3.5Å; F133-V193 VanDerWaalsContact N-O 3.08Å; F133-V193 PolarHBondContact O-N 2.96Å; F133-F268 HydrophobicContact CB-CB 4.37Å; F133-F268 HydrophobicContact CB-CD2 3.97Å
134	T	97.2	Very high	94	Very high	13 Å²	13	40.8 Å²	40.8	8%	0.08	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	142.3	173.1	56.1	0	0	0	0	109.8	H191 N192 L265 G266 N267	T134-H191 CarbonylContact C-O 3.53Å; T134-H191 WeakPolarHBondContact CA-O 3.17Å; T134-N192 HydrophobicContact CG2-CB 3.92Å; T134-L265 CarbonylContact O-C 3.54Å; T134-L265 WeakPolarHBondContact O-CA 3.25Å; T134-G266 PolarHBondContact N-O 2.81Å; T134-G266 PolarHBondContact O-N 3.49Å; T134-G266 PolarHBondContact OG1-O 2.9Å; T134-N267 HydrophobicContact CG2-CB 3.97Å; T134-N267 WeakPolarHBondContact OG1-CB 3.4Å; T134-N267 PolarHBondContact OG1-ND2 2.79Å; T134-N267 VanDerWaalsContact OG1-ND2 3.13Å
135	F	97.6	Very high	94.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	162.7	175.4	74	-85.3	0	0	0	111.8	F133 T137 I144 L160 L165 V185 W190 H191 V193 F261 C264	F133-F135 HydrophobicContact CD2-CD1 4.33Å; F133-F135 AromaticContact CE2-CD1 3.89Å; F133-F135 HydrophobicContact CE2-CD1 3.89Å; F135-T137 HydrophobicContact CD2-CG2 4.07Å; F135-T137 HydrophobicContact CE2-CG2 4.07Å; F135-I144 HydrophobicContact CD1-CD1 4.36Å; F135-I144 HydrophobicContact CD2-CD1 4.39Å; F135-I144 HydrophobicContact CE1-CD1 4.42Å; F135-I144 HydrophobicContact CE2-CD1 4.46Å; F135-I144 HydrophobicContact CG-CD1 4.33Å; F135-I144 HydrophobicContact CZ-CD1 4.47Å; F135-L160 HydrophobicContact CE2-CD1 4.45Å; F135-L160 HydrophobicContact CE2-CD2 4.32Å; F135-L160 HydrophobicContact CZ-CD2 4.35Å; F135-L165 HydrophobicContact CE1-CD1 4.45Å; F135-V185 HydrophobicContact CE2-CB 4.26Å; F135-V185 HydrophobicContact CE2-CG2 4.16Å; F135-V185 WeakPolarHBondContact CE2-O 3.38Å; F135-V185 HydrophobicContact CZ-CB 3.79Å; F135-V185 HydrophobicContact CZ-CG2 3.68Å; F135-W190 WeakPolarHBondContact O-CA 3.4Å; F135-H191 HydrophobicContact CD1-CB 4.43Å; F135-H191 HydrophobicContact CE1-CB 3.94Å; F135-H191 HydrophobicContact CZ-CB 4.03Å; F135-H191 PolarHBondContact N-O 2.73Å; F135-H191 PolarHBondContact O-N 2.66Å; F135-V193 HydrophobicContact CD1-CG2 3.83Å; F135-V193 HydrophobicContact CE1-CG2 3.51Å; F135-F261 HydrophobicContact CB-CE2 4.33Å; F135-F261 HydrophobicContact CB-CZ 4.11Å; F135-F261 AromaticContact CD2-CE2 3.95Å; F135-F261 HydrophobicContact CD2-CE2 3.95Å; F135-F261 HydrophobicContact CD2-CZ 4.41Å; F135-F261 HydrophobicContact CG-CE2 4.5Å; F135-C264 CarbonylContact C-O 3.58Å; F135-C264 WeakPolarHBondContact CA-O 3.33Å
136	R	95.6	Very high	94.4	Very high	54 Å²	54	35.5 Å²	35.5	20%	0.204	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	124.7	176.8	173.5	-178.2	-177.6	-163.5	6.4	109.6	S188 N189 W190 G263 C264 H305	R136-S188 WeakPolarHBondContact CG-O 3.41Å; R136-S188 PolarHBondContact NE-O 3.43Å; R136-S188 PolarHBondContact NH2-O 2.67Å; R136-N189 WeakPolarHBondContact CA-O 3.27Å; R136-N189 WeakPolarHBondContact CB-O 3.41Å; R136-N189 WeakPolarHBondContact CG-O 3.28Å; R136-W190 HydrophobicContact CB-CD2 3.84Å; R136-W190 HydrophobicContact CB-CE3 3.66Å; R136-W190 HydrophobicContact CB-CG 4.44Å; R136-W190 HydrophobicContact CB-CH2 4.31Å; R136-W190 HydrophobicContact CB-CZ2 4.47Å; R136-W190 HydrophobicContact CB-CZ3 3.91Å; R136-G263 WeakPolarHBondContact O-CA 2.98Å; R136-C264 HydrophobicContact CB-CB 4.31Å; R136-C264 PolarHBondContact N-O 3.37Å; R136-C264 PolarHBondContact O-N 3.42Å; R136-H305 PolarHBondContact NH1-CD2 3.26Å; R136-H305 PolarHBondContact NH1-CE1 3.36Å; R136-H305 PolarHBondContact NH1-NE2 3.49Å; R136-H305 PolarHBondContact NH2-CD2 3.33Å; R136-H305 PolarHBondContact NH2-NE2 3.23Å
137	T	94	Very high	94.7	Very high	5 Å²	5	30.7 Å²	30.7	3%	0.031	13%	0.133	C	C	.	.			trans	-157.1	163	-179	-174.1	0	0	0	0	112.7	F135 Q139 L160 T186 S188 F261 Q262	F135-T137 HydrophobicContact CD2-CG2 4.07Å; F135-T137 HydrophobicContact CE2-CG2 4.07Å; T137-Q139 WeakPolarHBondContact OG1-CB 3.35Å; T137-Q139 PolarHBondContact OG1-N 3.14Å; T137-L160 HydrophobicContact CG2-CD1 3.62Å; T137-T186 HydrophobicContact CG2-CG2 4.01Å; T137-T186 CarbonylContact O-C 3.59Å; T137-T186 VanDerWaalsContact O-C 3.23Å; T137-T186 WeakPolarHBondContact O-CA 3.35Å; T137-S188 WeakPolarHBondContact O-CA 3.06Å; T137-S188 PolarHBondContact O-N 2.81Å; T137-F261 HydrophobicContact CG2-CD2 4.39Å; T137-F261 HydrophobicContact CG2-CE2 3.65Å; T137-F261 HydrophobicContact CG2-CZ 4.48Å; T137-Q262 WeakPolarHBondContact CB-O 3.07Å; T137-Q262 PolarHBondContact OG1-O 3.4Å
138	S	90.2	Very high	95.1	Very high	20 Å²	20	25.3 Å²	25.3	14%	0.14	11%	0.108	C	C	.	.			trans	-113.8	5.3	165.1	71.8	0	0	0	0	112.6	S188	S138-S188 WeakPolarHBondContact CB-OG 3.03Å
139	Q	89.8	Confident	95	Very high	4 Å²	4	17.5 Å²	17.5	2%	0.019	8%	0.079	C	C	.	.			trans	-90.3	119.1	-176.1	-169.5	178.9	-92.6	0	0	109.8	T137 H141 T186 G260 Q262 Q354	T137-Q139 WeakPolarHBondContact OG1-CB 3.35Å; T137-Q139 PolarHBondContact OG1-N 3.14Å; Q139-H141 VanDerWaalsContact C-N 3.29Å; Q139-H141 VanDerWaalsContact CD-O 3.3Å; Q139-H141 VanDerWaalsContact CG-O 3.29Å; Q139-H141 WeakPolarHBondContact CG-O 3.38Å; Q139-H141 PolarHBondContact NE2-O 3.04Å; Q139-H141 PolarHBondContact O-N 2.84Å; Q139-T186 VanDerWaalsContact O-CG2 3.3Å; Q139-T186 WeakPolarHBondContact O-CG2 3.36Å; Q139-G260 PolarHBondContact NE2-O 3.46Å; Q139-Q262 VanDerWaalsContact OE1-CB 3.25Å; Q139-Q354 HydrophobicContact CB-CB 4.27Å; Q139-Q354 HydrophobicContact CG-CB 4.34Å
140	E	89.4	Confident	94.4	Very high	74 Å²	74	24 Å²	24	35%	0.346	11%	0.107	S	C	.	.	S	Bend	trans	-72.6	-20.1	-174.2	-64.8	-172.6	171.5	0	0	114.4	L160 I161 K162 G163 N314	E140-L160 CarbonylContact O-C 3.56Å; E140-I161 CarbonylContact O-C 3.36Å; E140-K162 PolarHBondContact O-N 3.07Å; E140-G163 PolarHBondContact O-N 3.11Å; E140-N314 PolarHBondContact OE1-ND2 2.81Å; E140-N314 PolarHBondContact OE1-OD1 2.83Å
141	H	90.5	Very high	93.7	Very high	37 Å²	37	29.5 Å²	29.5	17%	0.171	13%	0.13	C	C	.	.	S	Bend	trans	-130.8	132.8	-177.2	-65.9	-86.2	0	0	0	111	Q139 L160 K162	Q139-H141 VanDerWaalsContact C-N 3.29Å; Q139-H141 VanDerWaalsContact CD-O 3.3Å; Q139-H141 VanDerWaalsContact CG-O 3.29Å; Q139-H141 WeakPolarHBondContact CG-O 3.38Å; Q139-H141 PolarHBondContact NE2-O 3.04Å; Q139-H141 PolarHBondContact O-N 2.84Å; H141-L160 CarbonylContact C-O 3.51Å; H141-L160 VanDerWaalsContact CA-O 3.27Å; H141-L160 WeakPolarHBondContact CA-O 3.24Å; H141-K162 PolarHBondContact CE1-N 3.49Å; H141-K162 VanDerWaalsContact CE1-N 3.27Å
142	G	93.6	Very high	92.9	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.01	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165	144.6	172.1	0	0	0	0	0	115.1	I144 L160 H259 G260	G142-I144 PolarHBondContact O-N 2.74Å; G142-L160 PolarHBondContact N-O 2.89Å; G142-L160 PolarHBondContact O-N 2.87Å; G142-H259 WeakPolarHBondContact CA-O 3.16Å; G142-G260 WeakPolarHBondContact CA-O 3.1Å
143	L	96.7	Very high	92.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	117.9	173.5	-177.2	66.6	0	0	0	110.7	F146 A157 E159 G241 I243 H259 F261	L143-F146 HydrophobicContact CD1-CB 4.26Å; L143-F146 HydrophobicContact CD2-CB 3.98Å; L143-F146 HydrophobicContact CG-CB 4.42Å; L143-A157 HydrophobicContact CD1-CB 4.23Å; L143-E159 HydrophobicContact CD1-CG 3.6Å; L143-G241 CarbonylContact O-C 3.56Å; L143-G241 VanDerWaalsContact O-C 3.26Å; L143-I243 HydrophobicContact CD2-CB 4.24Å; L143-I243 HydrophobicContact CD2-CD1 3.8Å; L143-I243 HydrophobicContact CD2-CG1 3.74Å; L143-I243 HydrophobicContact CD2-CG2 3.71Å; L143-H259 PolarHBondContact N-O 2.81Å; L143-F261 WeakPolarHBondContact O-CB 3.39Å; L143-F261 PolarHBondContact O-N 2.88Å
144	I	97.8	Very high	92	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	-48.8	179.5	-60.6	-179.9	0	0	0	110.7	F133 F135 G142 F158 L160 L165 G241 F261 L265	F133-I144 HydrophobicContact CE2-CG2 4.05Å; F135-I144 HydrophobicContact CD1-CD1 4.36Å; F135-I144 HydrophobicContact CD2-CD1 4.39Å; F135-I144 HydrophobicContact CE1-CD1 4.42Å; F135-I144 HydrophobicContact CE2-CD1 4.46Å; F135-I144 HydrophobicContact CG-CD1 4.33Å; F135-I144 HydrophobicContact CZ-CD1 4.47Å; G142-I144 PolarHBondContact O-N 2.74Å; I144-F158 HydrophobicContact CB-CB 4.28Å; I144-F158 WeakPolarHBondContact CB-O 3.34Å; I144-F158 PolarHBondContact N-O 3.46Å; I144-L160 HydrophobicContact CD1-CD1 4.07Å; I144-L160 HydrophobicContact CD1-CD2 4.24Å; I144-L160 HydrophobicContact CD1-CG 3.82Å; I144-L160 HydrophobicContact CG1-CD1 4.36Å; I144-L160 HydrophobicContact CG1-CG 4.22Å; I144-L165 HydrophobicContact CD1-CD1 3.83Å; I144-G241 PolarHBondContact O-N 2.97Å; I144-F261 HydrophobicContact CD1-CD2 4.36Å; I144-F261 HydrophobicContact CG1-CB 4.24Å; I144-F261 HydrophobicContact CG1-CD2 3.79Å; I144-F261 HydrophobicContact CG1-CE2 4.46Å; I144-F261 HydrophobicContact CG1-CG 4.25Å; I144-L265 HydrophobicContact CG2-CD1 3.62Å
145	L	97.2	Very high	91.9	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	140	-173.8	-174.4	150.8	0	0	0	109.8	M123 L156 A157 F158 L238 Y239 I240 F268	M123-L145 HydrophobicContact CE-CD2 3.9Å; L145-L156 HydrophobicContact CD2-CD1 3.63Å; L145-A157 CarbonylContact O-C 3.59Å; L145-A157 VanDerWaalsContact O-CA 3.23Å; L145-A157 WeakPolarHBondContact O-CA 3.44Å; L145-F158 HydrophobicContact CB-CB 4.5Å; L145-F158 PolarHBondContact N-O 3.37Å; L145-F158 PolarHBondContact O-N 3.29Å; L145-L238 HydrophobicContact CD1-CD1 3.86Å; L145-L238 HydrophobicContact CD2-CD1 3.63Å; L145-L238 HydrophobicContact CG-CD1 3.61Å; L145-Y239 CarbonylContact C-O 3.59Å; L145-Y239 WeakPolarHBondContact CA-O 3.19Å; L145-I240 HydrophobicContact CB-CD1 4.41Å; L145-I240 HydrophobicContact CD1-CD1 3.46Å; L145-I240 VanDerWaalsContact CD1-CD1 3.46Å; L145-I240 HydrophobicContact CG-CD1 3.78Å; L145-F268 HydrophobicContact CD1-CD2 4.13Å; L145-F268 HydrophobicContact CD1-CE2 3.39Å; L145-F268 HydrophobicContact CD1-CZ 4.22Å
146	F	97.6	Very high	91.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	130.9	174.7	173.4	-109.9	0	0	0	111	L143 F155 A157 Y239 I243 V247 W251 L255	L143-F146 HydrophobicContact CD1-CB 4.26Å; L143-F146 HydrophobicContact CD2-CB 3.98Å; L143-F146 HydrophobicContact CG-CB 4.42Å; F146-F155 HydrophobicContact CD2-CD2 4.45Å; F146-F155 HydrophobicContact CE2-CB 4.14Å; F146-F155 AromaticContact CE2-CD2 3.91Å; F146-F155 HydrophobicContact CE2-CD2 3.91Å; F146-F155 HydrophobicContact CE2-CG 4.37Å; F146-A157 HydrophobicContact CD2-CB 4.1Å; F146-Y239 AromaticContact CD1-CD2 3.86Å; F146-Y239 HydrophobicContact CD1-CD2 3.86Å; F146-Y239 HydrophobicContact CE1-CD2 4.45Å; F146-Y239 PolarHBondContact N-O 2.93Å; F146-Y239 PolarHBondContact O-N 2.85Å; F146-I243 HydrophobicContact CB-CG2 4.15Å; F146-I243 HydrophobicContact CD1-CG2 3.74Å; F146-I243 HydrophobicContact CG-CG2 4.28Å; F146-V247 HydrophobicContact CD1-CG1 4.24Å; F146-V247 HydrophobicContact CE1-CG1 3.77Å; F146-W251 AromaticContact CE1-CD1 3.91Å; F146-W251 HydrophobicContact CE1-CG 4.27Å; F146-W251 AromaticContact CE1-NE1 3.98Å; F146-W251 HydrophobicContact CE2-CD2 4.21Å; F146-W251 HydrophobicContact CE2-CE3 4.34Å; F146-W251 HydrophobicContact CE2-CG 4.34Å; F146-W251 HydrophobicContact CZ-CB 4.26Å; F146-W251 AromaticContact CZ-CD1 3.61Å; F146-W251 AromaticContact CZ-CD2 3.55Å; F146-W251 HydrophobicContact CZ-CD2 3.55Å; F146-W251 AromaticContact CZ-CE2 3.66Å; F146-W251 HydrophobicContact CZ-CE3 4.1Å; F146-W251 AromaticContact CZ-CG 3.57Å; F146-W251 HydrophobicContact CZ-CG 3.57Å; F146-W251 HydrophobicContact CZ-CZ2 4.31Å; F146-W251 AromaticContact CZ-NE1 3.63Å; F146-L255 HydrophobicContact CD2-CD1 3.97Å; F146-L255 HydrophobicContact CD2-CD2 3.87Å; F146-L255 HydrophobicContact CD2-CG 4.47Å; F146-L255 HydrophobicContact CE2-CD1 3.96Å; F146-L255 HydrophobicContact CE2-CD2 4.05Å; F146-L255 HydrophobicContact CE2-CG 4.36Å; F146-L255 HydrophobicContact CG-CD1 4.34Å; F146-L255 HydrophobicContact CZ-CD1 4.33Å
147	N	97	Very high	92	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	143.1	172.4	-167.3	-164.1	0	0	0	109.1	S122 M123 F155 L156 L234 D236 P237 L238	S122-N147 PolarHBondContact OG-ND2 3.01Å; S122-N147 PolarHBondContact OG-OD1 2.91Å; M123-N147 WeakPolarHBondContact CB-OD1 3.39Å; M123-N147 HydrophobicContact CE-CB 3.68Å; M123-N147 PolarHBondContact N-OD1 2.88Å; N147-F155 CarbonylContact O-C 3.59Å; N147-F155 VanDerWaalsContact O-CA 3.32Å; N147-F155 WeakPolarHBondContact O-CA 3.36Å; N147-F155 WeakPolarHBondContact O-CB 3.09Å; N147-L156 PolarHBondContact N-O 2.82Å; N147-L156 PolarHBondContact O-N 2.86Å; N147-L234 HydrophobicContact CB-CD1 4.13Å; N147-L234 WeakPolarHBondContact OD1-CB 3.22Å; N147-L234 WeakPolarHBondContact OD1-CD1 3.03Å; N147-D236 PolarHBondContact ND2-O 2.97Å; N147-P237 VanDerWaalsContact ND2-C 3.32Å; N147-P237 PolarHBondContact ND2-O 2.79Å; N147-L238 HydrophobicContact CB-CD1 3.79Å
148	S	95.3	Very high	92.2	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.007	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	174.3	-168.9	55.5	0	0	0	0	112.4	D154 L234 N235 D236 W251	S148-D154 CarbonylContact C-O 3.58Å; S148-D154 WeakPolarHBondContact CA-O 3.4Å; S148-L234 CarbonylContact O-C 3.56Å; S148-L234 WeakPolarHBondContact O-CA 3.07Å; S148-N235 PolarHBondContact O-N 2.77Å; S148-D236 WeakPolarHBondContact O-CB 3.37Å; S148-D236 PolarHBondContact O-N 3.19Å; S148-W251 WeakPolarHBondContact OG-CZ2 3.27Å
149	D	90.5	Very high	92.5	Very high	10 Å²	10	26.5 Å²	26.5	5%	0.053	13%	0.127	C	C	.	.			trans	-90.3	165	166	79.9	-19.6	0	0	0	111.9	Y151 G152 V153 D154 N233	D149-Y151 VanDerWaalsContact C-N 3.25Å; D149-Y151 PolarHBondContact O-N 3.44Å; D149-Y151 PolarHBondContact OD1-N 3.05Å; D149-G152 WeakPolarHBondContact OD1-CA 3.47Å; D149-G152 PolarHBondContact OD1-N 3.05Å; D149-V153 PolarHBondContact OD1-N 3.41Å; D149-V153 PolarHBondContact OD2-N 2.85Å; D149-D154 HydrophobicContact CB-CB 4.18Å; D149-D154 VanDerWaalsContact CG-N 3.34Å; D149-D154 PolarHBondContact N-O 3.08Å; D149-D154 PolarHBondContact OD1-N 3.47Å; D149-D154 PolarHBondContact OD2-N 3.17Å; D149-N233 VanDerWaalsContact CB-O 3.26Å; D149-N233 WeakPolarHBondContact CB-O 3.24Å
150	K	83	Confident	92.7	Very high	140 Å²	140	26.3 Å²	26.3	61%	0.609	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-34.6	176.8	-173.2	174.6	179.1	179.9	0	111.8	D236 K250	K150-D236 WeakPolarHBondContact CA-OD1 3.39Å; K150-K250 PolarHBondContact O-NZ 3.32Å
151	Y	82	Confident	92.8	Very high	190 Å²	190	22.9 Å²	22.9	75%	0.745	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-6.4	-168.9	-58.6	-72.4	0	0	0	114.7	D149	D149-Y151 VanDerWaalsContact C-N 3.25Å; D149-Y151 PolarHBondContact O-N 3.44Å; D149-Y151 PolarHBondContact OD1-N 3.05Å
152	G	80.3	Confident	92.7	Very high	25 Å²	25	24.6 Å²	24.6	26%	0.258	12%	0.117	S	C	.	.	S	Bend	trans	85.8	10.8	178.5	0	0	0	0	0	114.4	D149 W251 K254	D149-G152 WeakPolarHBondContact OD1-CA 3.47Å; D149-G152 PolarHBondContact OD1-N 3.05Å; G152-W251 VanDerWaalsContact C-CH2 3.46Å; G152-K254 PolarHBondContact O-NZ 3.5Å
153	V	84.3	Confident	92.6	Very high	66 Å²	66	24.6 Å²	24.6	40%	0.4	12%	0.117	S	C	.	.	S	Bend	trans	-97.3	-76.2	-176.1	-174	0	0	0	0	109.2	D149 D170 K254	D149-V153 PolarHBondContact OD1-N 3.41Å; D149-V153 PolarHBondContact OD2-N 2.85Å; V153-D170 WeakPolarHBondContact O-CB 3.48Å; V153-K254 PolarHBondContact O-NZ 2.89Å
154	D	92.1	Very high	92.6	Very high	8 Å²	8	28.4 Å²	28.4	4%	0.043	13%	0.132	C	C	.	.	S	Bend	trans	-76.8	130.8	-175.3	-72.2	7.4	0	0	0	110.8	S148 D149 D170 M171 G172 N233	S148-D154 CarbonylContact C-O 3.58Å; S148-D154 WeakPolarHBondContact CA-O 3.4Å; D149-D154 HydrophobicContact CB-CB 4.18Å; D149-D154 VanDerWaalsContact CG-N 3.34Å; D149-D154 PolarHBondContact N-O 3.08Å; D149-D154 PolarHBondContact OD1-N 3.47Å; D149-D154 PolarHBondContact OD2-N 3.17Å; D154-D170 VanDerWaalsContact CA-O 3.28Å; D154-D170 WeakPolarHBondContact CA-O 3.32Å; D154-M171 VanDerWaalsContact OD1-C 3.23Å; D154-G172 PolarHBondContact OD1-N 2.95Å; D154-G172 VanDerWaalsContact OD1-N 3.09Å; D154-N233 VanDerWaalsContact OD2-CB 3.24Å; D154-N233 WeakPolarHBondContact OD2-CB 3.37Å; D154-N233 PolarHBondContact OD2-N 2.91Å; D154-N233 PolarHBondContact OD2-ND2 3.01Å
155	F	95.4	Very high	92.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	166.3	172.7	78.6	-75.8	0	0	0	111.5	F146 N147 A157 V168 F169 D170 S175 W251 K254 L255	F146-F155 HydrophobicContact CD2-CD2 4.45Å; F146-F155 HydrophobicContact CE2-CB 4.14Å; F146-F155 AromaticContact CE2-CD2 3.91Å; F146-F155 HydrophobicContact CE2-CD2 3.91Å; F146-F155 HydrophobicContact CE2-CG 4.37Å; N147-F155 CarbonylContact O-C 3.59Å; N147-F155 VanDerWaalsContact O-CA 3.32Å; N147-F155 WeakPolarHBondContact O-CA 3.36Å; N147-F155 WeakPolarHBondContact O-CB 3.09Å; F155-A157 HydrophobicContact CE2-CB 4.48Å; F155-V168 HydrophobicContact CE2-CB 4.26Å; F155-V168 HydrophobicContact CE2-CG1 3.9Å; F155-V168 HydrophobicContact CZ-CG1 3.8Å; F155-F169 CarbonylContact O-C 3.41Å; F155-F169 VanDerWaalsContact O-CA 3.23Å; F155-F169 WeakPolarHBondContact O-CA 3.47Å; F155-F169 WeakPolarHBondContact O-CB 3.22Å; F155-D170 HydrophobicContact CD1-CB 3.59Å; F155-D170 HydrophobicContact CE1-CB 3.48Å; F155-D170 VanDerWaalsContact CE1-CB 3.48Å; F155-D170 PolarHBondContact N-O 2.75Å; F155-D170 PolarHBondContact O-N 3.37Å; F155-S175 WeakPolarHBondContact CZ-OG 3.27Å; F155-W251 HydrophobicContact CB-CE3 4.4Å; F155-W251 HydrophobicContact CB-CH2 3.88Å; F155-W251 HydrophobicContact CB-CZ3 3.65Å; F155-W251 HydrophobicContact CD1-CE3 4.38Å; F155-W251 AromaticContact CD1-CZ3 3.69Å; F155-W251 HydrophobicContact CD1-CZ3 3.69Å; F155-W251 HydrophobicContact CG-CE3 4.26Å; F155-W251 HydrophobicContact CG-CH2 4.44Å; F155-W251 AromaticContact CG-CZ3 3.72Å; F155-W251 HydrophobicContact CG-CZ3 3.72Å; F155-K254 HydrophobicContact CD1-CD 3.77Å; F155-K254 HydrophobicContact CE1-CB 3.94Å; F155-K254 HydrophobicContact CE1-CD 3.37Å; F155-K254 HydrophobicContact CE1-CG 3.78Å; F155-K254 HydrophobicContact CE2-CB 4.1Å; F155-K254 HydrophobicContact CZ-CB 3.58Å; F155-K254 HydrophobicContact CZ-CD 3.97Å; F155-K254 HydrophobicContact CZ-CG 3.9Å; F155-L255 HydrophobicContact CE2-CD2 4.36Å
156	L	97.1	Very high	92.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	151.6	161.8	72.1	82	0	0	0	110.9	M123 L125 L145 N147 F158 F167 V168 F169 F232 L234	M123-L156 HydrophobicContact CE-CD1 3.85Å; M123-L156 HydrophobicContact CE-CD2 3.97Å; M123-L156 HydrophobicContact CE-CG 4.14Å; L125-L156 HydrophobicContact CD1-CD2 3.58Å; L145-L156 HydrophobicContact CD2-CD1 3.63Å; N147-L156 PolarHBondContact N-O 2.82Å; N147-L156 PolarHBondContact O-N 2.86Å; L156-F158 HydrophobicContact CD1-CD2 4.43Å; L156-F158 HydrophobicContact CD1-CE2 4.33Å; L156-F167 HydrophobicContact CB-CE2 4.05Å; L156-F167 HydrophobicContact CB-CZ 4.44Å; L156-F167 HydrophobicContact CD1-CE2 4.49Å; L156-V168 CarbonylContact C-O 3.53Å; L156-V168 VanDerWaalsContact CA-O 3.31Å; L156-V168 WeakPolarHBondContact CA-O 3.15Å; L156-F169 HydrophobicContact CB-CB 4.01Å; L156-F232 HydrophobicContact CB-CD1 4.44Å; L156-F232 HydrophobicContact CB-CE1 4.14Å; L156-F232 HydrophobicContact CD2-CD1 4.16Å; L156-F232 HydrophobicContact CD2-CD2 4.44Å; L156-F232 HydrophobicContact CD2-CE1 4.3Å; L156-F232 HydrophobicContact CD2-CG 4.24Å; L156-F232 HydrophobicContact CD2-CZ 4.48Å; L156-L234 HydrophobicContact CD2-CD1 3.79Å; L156-L234 HydrophobicContact CG-CD1 4.21Å
157	A	97.6	Very high	92.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	144.4	179.9	0	0	0	0	0	111.3	L143 L145 F146 F155 F167 V168 L255	L143-A157 HydrophobicContact CD1-CB 4.23Å; L145-A157 CarbonylContact O-C 3.59Å; L145-A157 VanDerWaalsContact O-CA 3.23Å; L145-A157 WeakPolarHBondContact O-CA 3.44Å; F146-A157 HydrophobicContact CD2-CB 4.1Å; F155-A157 HydrophobicContact CE2-CB 4.48Å; A157-F167 WeakPolarHBondContact O-CD2 3.21Å; A157-V168 HydrophobicContact CB-CB 4.44Å; A157-V168 PolarHBondContact N-O 2.67Å; A157-V168 PolarHBondContact O-N 2.92Å; A157-L255 HydrophobicContact CB-CD2 3.59Å
158	F	98.1	Very high	92.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	122.1	164.4	-73.9	-86.2	0	0	0	109.1	L131 F133 I144 L145 L156 L165 H166 F167 V193 L195 L207	L131-F158 HydrophobicContact CD2-CE2 3.93Å; F133-F158 HydrophobicContact CE1-CD1 4.43Å; F133-F158 AromaticContact CE1-CD2 3.96Å; F133-F158 HydrophobicContact CE1-CD2 3.96Å; F133-F158 HydrophobicContact CE1-CE1 4.43Å; F133-F158 AromaticContact CE1-CE2 3.97Å; F133-F158 HydrophobicContact CE1-CE2 3.97Å; F133-F158 HydrophobicContact CE1-CG 4.19Å; F133-F158 HydrophobicContact CE1-CZ 4.2Å; F133-F158 HydrophobicContact CZ-CB 4.28Å; F133-F158 HydrophobicContact CZ-CD1 4.08Å; F133-F158 HydrophobicContact CZ-CD2 4.12Å; F133-F158 HydrophobicContact CZ-CE1 4.44Å; F133-F158 HydrophobicContact CZ-CE2 4.48Å; F133-F158 AromaticContact CZ-CG 3.89Å; F133-F158 HydrophobicContact CZ-CG 3.89Å; I144-F158 HydrophobicContact CB-CB 4.28Å; I144-F158 WeakPolarHBondContact CB-O 3.34Å; I144-F158 PolarHBondContact N-O 3.46Å; L145-F158 HydrophobicContact CB-CB 4.5Å; L145-F158 PolarHBondContact N-O 3.37Å; L145-F158 PolarHBondContact O-N 3.29Å; L156-F158 HydrophobicContact CD1-CD2 4.43Å; L156-F158 HydrophobicContact CD1-CE2 4.33Å; F158-L165 HydrophobicContact CB-CD1 4.47Å; F158-L165 HydrophobicContact CD1-CD1 4.22Å; F158-L165 HydrophobicContact CD1-CD2 4.11Å; F158-L165 HydrophobicContact CD1-CG 4.25Å; F158-L165 HydrophobicContact CE1-CD2 4.41Å; F158-H166 WeakPolarHBondContact CA-O 3.23Å; F158-F167 HydrophobicContact CD1-CB 4.31Å; F158-F167 HydrophobicContact CD1-CD2 4.07Å; F158-F167 HydrophobicContact CD2-CD2 4.25Å; F158-F167 HydrophobicContact CE1-CB 4.02Å; F158-F167 AromaticContact CE1-CD2 3.6Å; F158-F167 HydrophobicContact CE1-CD2 3.6Å; F158-F167 HydrophobicContact CE1-CE2 4.43Å; F158-F167 HydrophobicContact CE1-CG 4.08Å; F158-F167 AromaticContact CE2-CD2 3.8Å; F158-F167 HydrophobicContact CE2-CD2 3.8Å; F158-F167 AromaticContact CE2-CE2 3.93Å; F158-F167 HydrophobicContact CE2-CE2 3.93Å; F158-F167 HydrophobicContact CG-CD2 4.38Å; F158-F167 AromaticContact CZ-CD2 3.45Å; F158-F167 HydrophobicContact CZ-CD2 3.45Å; F158-F167 VanDerWaalsContact CZ-CD2 3.45Å; F158-F167 AromaticContact CZ-CE2 3.84Å; F158-F167 HydrophobicContact CZ-CE2 3.84Å; F158-F167 HydrophobicContact CZ-CG 4.25Å; F158-V193 HydrophobicContact CE1-CG1 3.98Å; F158-V193 HydrophobicContact CZ-CG1 4.42Å; F158-L195 HydrophobicContact CE2-CD2 4.44Å; F158-L195 HydrophobicContact CZ-CB 4.1Å; F158-L195 HydrophobicContact CZ-CD2 4.05Å; F158-L207 HydrophobicContact CE1-CD1 3.81Å; F158-L207 HydrophobicContact CZ-CD1 4.25Å
159	E	96.8	Very high	92.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	143.5	-176.1	-64.2	-179.2	133.6	0	0	109.9	L143 I161 H166 R177 S256 S257	L143-E159 HydrophobicContact CD1-CG 3.6Å; E159-I161 HydrophobicContact CB-CG1 4.41Å; E159-H166 HydrophobicContact CB-CB 4.3Å; E159-H166 PolarHBondContact N-O 3.14Å; E159-H166 PolarHBondContact O-N 3.08Å; E159-R177 IonicContact OE2-CZ 3.73Å; E159-R177 IonicContact OE2-NH2 3.79Å; E159-R177 PolarHBondContact OE2-NH2 2.71Å; E159-S256 PolarHBondContact OE1-N 2.92Å; E159-S257 PolarHBondContact OE1-N 2.58Å
160	L	95.4	Very high	92.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	129.2	164	-67.7	170.4	0	0	0	108.9	F135 T137 E140 H141 G142 I144 Y164 L165 V185 T186 F261	F135-L160 HydrophobicContact CE2-CD1 4.45Å; F135-L160 HydrophobicContact CE2-CD2 4.32Å; F135-L160 HydrophobicContact CZ-CD2 4.35Å; T137-L160 HydrophobicContact CG2-CD1 3.62Å; E140-L160 CarbonylContact O-C 3.56Å; H141-L160 CarbonylContact C-O 3.51Å; H141-L160 VanDerWaalsContact CA-O 3.27Å; H141-L160 WeakPolarHBondContact CA-O 3.24Å; G142-L160 PolarHBondContact N-O 2.89Å; G142-L160 PolarHBondContact O-N 2.87Å; I144-L160 HydrophobicContact CD1-CD1 4.07Å; I144-L160 HydrophobicContact CD1-CD2 4.24Å; I144-L160 HydrophobicContact CD1-CG 3.82Å; I144-L160 HydrophobicContact CG1-CD1 4.36Å; I144-L160 HydrophobicContact CG1-CG 4.22Å; L160-Y164 WeakPolarHBondContact CA-O 3.49Å; L160-L165 HydrophobicContact CD2-CD1 4.2Å; L160-V185 HydrophobicContact CD2-CG2 3.59Å; L160-T186 HydrophobicContact CD1-CG2 4.23Å; L160-T186 HydrophobicContact CD2-CG2 4.38Å; L160-F261 HydrophobicContact CD1-CD2 4.06Å; L160-F261 HydrophobicContact CD1-CE2 4.32Å
161	I	91.3	Very high	92.9	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	118.5	174.7	-51.8	176.3	0	0	0	108.3	E140 E159 G163 Y164 H166 F648 Y650	E140-I161 CarbonylContact O-C 3.36Å; E159-I161 HydrophobicContact CB-CG1 4.41Å; I161-G163 PolarHBondContact O-N 2.8Å; I161-Y164 PolarHBondContact N-O 3.49Å; I161-Y164 PolarHBondContact O-N 3.28Å; I161-H166 HydrophobicContact CD1-CB 4.32Å; I161-F648 HydrophobicContact CG2-CD2 3.69Å; I161-F648 HydrophobicContact CG2-CE2 3.87Å; I161-Y650 WeakPolarHBondContact CD1-OH 3.24Å; I161-Y650 VanDerWaalsContact CG2-OH 3.29Å; I161-Y650 WeakPolarHBondContact CG2-OH 3.41Å
162	K	88.1	Confident	93.1	Very high	74 Å²	74	15.3 Å²	15.3	32%	0.322	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	36.7	-177.5	-59.6	-176	177.8	-176.3	0	112.6	E140 H141 Y164	E140-K162 PolarHBondContact O-N 3.07Å; H141-K162 PolarHBondContact CE1-N 3.49Å; H141-K162 VanDerWaalsContact CE1-N 3.27Å; K162-Y164 VanDerWaalsContact C-N 3.31Å; K162-Y164 HydrophobicContact CB-CD2 4.43Å; K162-Y164 WeakPolarHBondContact O-CD2 3.43Å; K162-Y164 WeakPolarHBondContact O-CE2 3.4Å; K162-Y164 PolarHBondContact O-N 3.46Å
163	G	92	Very high	93.2	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	4.3	178.9	0	0	0	0	0	115.9	E140 I161 S184 V185	E140-G163 PolarHBondContact O-N 3.11Å; I161-G163 PolarHBondContact O-N 2.8Å; G163-S184 CarbonylContact O-C 3.29Å; G163-S184 VanDerWaalsContact O-CA 3.29Å; G163-S184 WeakPolarHBondContact O-CA 3.46Å; G163-S184 PolarHBondContact O-OG 3.36Å; G163-S184 VanDerWaalsContact O-OG 3.05Å; G163-V185 WeakPolarHBondContact O-CG2 3.4Å; G163-V185 PolarHBondContact O-N 2.85Å
164	Y	95.5	Very high	93.2	Very high	81 Å²	81	13.8 Å²	13.8	32%	0.318	8%	0.084	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	149.1	175.9	-59.6	-70	0	0	0	111.4	L160 I161 K162 H166 L180 T181	L160-Y164 WeakPolarHBondContact CA-O 3.49Å; I161-Y164 PolarHBondContact N-O 3.49Å; I161-Y164 PolarHBondContact O-N 3.28Å; K162-Y164 VanDerWaalsContact C-N 3.31Å; K162-Y164 HydrophobicContact CB-CD2 4.43Å; K162-Y164 WeakPolarHBondContact O-CD2 3.43Å; K162-Y164 WeakPolarHBondContact O-CE2 3.4Å; K162-Y164 PolarHBondContact O-N 3.46Å; Y164-H166 PolarHBondContact O-CD2 3.14Å; Y164-L180 WeakPolarHBondContact CD1-O 3.44Å; Y164-T181 VanDerWaalsContact CD1-CA 3.5Å; Y164-T181 VanDerWaalsContact CE1-O 3.24Å; Y164-T181 WeakPolarHBondContact CE1-O 3.31Å; Y164-T181 HydrophobicContact CG-CG2 4.41Å
165	L	96.9	Very high	93	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	122.2	175.7	-170.8	70.7	0	0	0	110.2	F135 I144 F158 L160 L180 V185 V193 I209	F135-L165 HydrophobicContact CE1-CD1 4.45Å; I144-L165 HydrophobicContact CD1-CD1 3.83Å; F158-L165 HydrophobicContact CB-CD1 4.47Å; F158-L165 HydrophobicContact CD1-CD1 4.22Å; F158-L165 HydrophobicContact CD1-CD2 4.11Å; F158-L165 HydrophobicContact CD1-CG 4.25Å; F158-L165 HydrophobicContact CE1-CD2 4.41Å; L160-L165 HydrophobicContact CD2-CD1 4.2Å; L165-L180 PolarHBondContact O-N 3.39Å; L165-V185 HydrophobicContact CB-CG2 4.28Å; L165-V193 HydrophobicContact CD2-CB 4.49Å; L165-V193 HydrophobicContact CD2-CG1 3.85Å; L165-V193 HydrophobicContact CD2-CG2 3.74Å; L165-I209 HydrophobicContact CB-CD1 3.68Å; L165-I209 HydrophobicContact CD2-CD1 3.51Å; L165-I209 HydrophobicContact CD2-CG1 3.9Å; L165-I209 HydrophobicContact CG-CD1 4.23Å
166	H	96.7	Very high	92.8	Very high	4 Å²	4	16.5 Å²	16.5	2%	0.019	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	135.8	173.2	-72.5	-108.9	0	0	0	110.1	F158 E159 I161 Y164 F178 A179 Y650	F158-H166 WeakPolarHBondContact CA-O 3.23Å; E159-H166 HydrophobicContact CB-CB 4.3Å; E159-H166 PolarHBondContact N-O 3.14Å; E159-H166 PolarHBondContact O-N 3.08Å; I161-H166 HydrophobicContact CD1-CB 4.32Å; Y164-H166 PolarHBondContact O-CD2 3.14Å; H166-F178 CarbonylContact C-O 3.5Å; H166-F178 VanDerWaalsContact CA-O 3.31Å; H166-F178 WeakPolarHBondContact CA-O 3.39Å; H166-A179 WeakPolarHBondContact CE1-CB 3.2Å; H166-Y650 AromaticContact CE1-CE1 3.29Å; H166-Y650 WeakPolarHBondContact CE1-CE1 3.43Å; H166-Y650 AromaticContact CE1-CZ 3.26Å; H166-Y650 PolarHBondContact CE1-OH 2.83Å; H166-Y650 AromaticContact ND1-CE1 3.77Å; H166-Y650 AromaticContact NE2-CZ 3.98Å; H166-Y650 PolarHBondContact NE2-OH 3.2Å
167	F	97.5	Very high	92.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	122.8	169.9	177.1	-120.2	0	0	0	108.8	L156 A157 F158 F169 F178 L195 L205 L207 I221 F232	L156-F167 HydrophobicContact CB-CE2 4.05Å; L156-F167 HydrophobicContact CB-CZ 4.44Å; L156-F167 HydrophobicContact CD1-CE2 4.49Å; A157-F167 WeakPolarHBondContact O-CD2 3.21Å; F158-F167 HydrophobicContact CD1-CB 4.31Å; F158-F167 HydrophobicContact CD1-CD2 4.07Å; F158-F167 HydrophobicContact CD2-CD2 4.25Å; F158-F167 HydrophobicContact CE1-CB 4.02Å; F158-F167 AromaticContact CE1-CD2 3.6Å; F158-F167 HydrophobicContact CE1-CD2 3.6Å; F158-F167 HydrophobicContact CE1-CE2 4.43Å; F158-F167 HydrophobicContact CE1-CG 4.08Å; F158-F167 AromaticContact CE2-CD2 3.8Å; F158-F167 HydrophobicContact CE2-CD2 3.8Å; F158-F167 AromaticContact CE2-CE2 3.93Å; F158-F167 HydrophobicContact CE2-CE2 3.93Å; F158-F167 HydrophobicContact CG-CD2 4.38Å; F158-F167 AromaticContact CZ-CD2 3.45Å; F158-F167 HydrophobicContact CZ-CD2 3.45Å; F158-F167 VanDerWaalsContact CZ-CD2 3.45Å; F158-F167 AromaticContact CZ-CE2 3.84Å; F158-F167 HydrophobicContact CZ-CE2 3.84Å; F158-F167 HydrophobicContact CZ-CG 4.25Å; F167-F169 AromaticContact CD1-CD1 3.74Å; F167-F169 HydrophobicContact CD1-CD1 3.74Å; F167-F169 HydrophobicContact CD1-CE1 4.21Å; F167-F169 HydrophobicContact CE1-CB 4.15Å; F167-F169 AromaticContact CE1-CD1 3.22Å; F167-F169 HydrophobicContact CE1-CD1 3.22Å; F167-F169 AromaticContact CE1-CE1 3.74Å; F167-F169 HydrophobicContact CE1-CE1 3.74Å; F167-F169 AromaticContact CE1-CG 3.82Å; F167-F169 HydrophobicContact CE1-CG 3.82Å; F167-F169 HydrophobicContact CE2-CB 4.3Å; F167-F169 HydrophobicContact CZ-CB 3.79Å; F167-F169 AromaticContact CZ-CD1 3.78Å; F167-F169 HydrophobicContact CZ-CD1 3.78Å; F167-F169 AromaticContact CZ-CG 3.91Å; F167-F169 HydrophobicContact CZ-CG 3.91Å; F167-F178 PolarHBondContact N-O 3.09Å; F167-F178 PolarHBondContact O-N 2.56Å; F167-L195 HydrophobicContact CD1-CD1 4.4Å; F167-L195 HydrophobicContact CD2-CD2 4.45Å; F167-L195 HydrophobicContact CE1-CD1 3.99Å; F167-L195 HydrophobicContact CE1-CD2 4.12Å; F167-L195 HydrophobicContact CE2-CD2 3.63Å; F167-L195 HydrophobicContact CZ-CD1 4.17Å; F167-L195 HydrophobicContact CZ-CD2 3.44Å; F167-L195 VanDerWaalsContact CZ-CD2 3.44Å; F167-L195 HydrophobicContact CZ-CG 4.46Å; F167-L205 HydrophobicContact CE1-CD1 4.08Å; F167-L205 HydrophobicContact CZ-CD1 4.48Å; F167-L207 HydrophobicContact CB-CD2 3.91Å; F167-I221 HydrophobicContact CD1-CD1 3.74Å; F167-I221 HydrophobicContact CE1-CD1 4.3Å; F167-F232 HydrophobicContact CZ-CZ 4.33Å
168	V	95.2	Very high	92.4	Very high	2 Å²	2	21 Å²	21	1%	0.012	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	133.1	-178	-165.9	0	0	0	0	108.5	F155 L156 A157 Q176 R177	F155-V168 HydrophobicContact CE2-CB 4.26Å; F155-V168 HydrophobicContact CE2-CG1 3.9Å; F155-V168 HydrophobicContact CZ-CG1 3.8Å; L156-V168 CarbonylContact C-O 3.53Å; L156-V168 VanDerWaalsContact CA-O 3.31Å; L156-V168 WeakPolarHBondContact CA-O 3.15Å; A157-V168 HydrophobicContact CB-CB 4.44Å; A157-V168 PolarHBondContact N-O 2.67Å; A157-V168 PolarHBondContact O-N 2.92Å; V168-Q176 WeakPolarHBondContact CA-O 3.3Å; V168-R177 HydrophobicContact CG1-CB 4.2Å; V168-R177 HydrophobicContact CG2-CB 4.2Å; V168-R177 HydrophobicContact CG2-CG 3.97Å; V168-R177 VanDerWaalsContact CG2-NE 3.26Å
169	F	95.2	Very high	92.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	163.8	-176.8	76.4	-83.4	0	0	0	112.9	F155 L156 F167 M171 S175 Q176 F178 L205 I221 V223 F232	F155-F169 CarbonylContact O-C 3.41Å; F155-F169 VanDerWaalsContact O-CA 3.23Å; F155-F169 WeakPolarHBondContact O-CA 3.47Å; F155-F169 WeakPolarHBondContact O-CB 3.22Å; L156-F169 HydrophobicContact CB-CB 4.01Å; F167-F169 AromaticContact CD1-CD1 3.74Å; F167-F169 HydrophobicContact CD1-CD1 3.74Å; F167-F169 HydrophobicContact CD1-CE1 4.21Å; F167-F169 HydrophobicContact CE1-CB 4.15Å; F167-F169 AromaticContact CE1-CD1 3.22Å; F167-F169 HydrophobicContact CE1-CD1 3.22Å; F167-F169 AromaticContact CE1-CE1 3.74Å; F167-F169 HydrophobicContact CE1-CE1 3.74Å; F167-F169 AromaticContact CE1-CG 3.82Å; F167-F169 HydrophobicContact CE1-CG 3.82Å; F167-F169 HydrophobicContact CE2-CB 4.3Å; F167-F169 HydrophobicContact CZ-CB 3.79Å; F167-F169 AromaticContact CZ-CD1 3.78Å; F167-F169 HydrophobicContact CZ-CD1 3.78Å; F167-F169 AromaticContact CZ-CG 3.91Å; F167-F169 HydrophobicContact CZ-CG 3.91Å; F169-M171 HydrophobicContact CD2-CG 3.91Å; F169-M171 HydrophobicContact CD2-SD 4.19Å; F169-M171 HydrophobicContact CE2-CG 4.13Å; F169-M171 HydrophobicContact CE2-SD 3.95Å; F169-S175 CarbonylContact O-C 3.56Å; F169-S175 VanDerWaalsContact O-CA 3.28Å; F169-S175 WeakPolarHBondContact O-CA 3.4Å; F169-Q176 HydrophobicContact CD1-CB 4.36Å; F169-Q176 HydrophobicContact CE1-CB 3.85Å; F169-Q176 HydrophobicContact CZ-CB 4.04Å; F169-Q176 HydrophobicContact CZ-CG 4.45Å; F169-Q176 PolarHBondContact N-O 2.91Å; F169-Q176 PolarHBondContact O-N 3.1Å; F169-F178 HydrophobicContact CE1-CD2 4.02Å; F169-F178 AromaticContact CE1-CE2 3.86Å; F169-F178 HydrophobicContact CE1-CE2 3.86Å; F169-F178 HydrophobicContact CZ-CE2 4.48Å; F169-L205 HydrophobicContact CE1-CD1 4.34Å; F169-L205 HydrophobicContact CE2-CD1 4.09Å; F169-L205 HydrophobicContact CZ-CD1 3.99Å; F169-I221 HydrophobicContact CE1-CG2 3.74Å; F169-I221 HydrophobicContact CZ-CG2 3.91Å; F169-V223 HydrophobicContact CE2-CG2 4.37Å; F169-V223 HydrophobicContact CZ-CG2 4.37Å; F169-F232 HydrophobicContact CB-CE1 3.83Å; F169-F232 HydrophobicContact CB-CZ 4.2Å; F169-F232 AromaticContact CD2-CE1 3.72Å; F169-F232 HydrophobicContact CD2-CE1 3.72Å; F169-F232 AromaticContact CD2-CZ 3.77Å; F169-F232 HydrophobicContact CD2-CZ 3.77Å; F169-F232 HydrophobicContact CE2-CZ 4.46Å; F169-F232 HydrophobicContact CG-CE1 4.11Å; F169-F232 HydrophobicContact CG-CZ 4.15Å
170	D	92.4	Very high	91.9	Very high	10 Å²	10	23 Å²	23	5%	0.053	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	131.3	167.6	-167.4	-13.2	0	0	0	107.9	V153 D154 F155 G172 S173 G174 S175 K254	V153-D170 WeakPolarHBondContact O-CB 3.48Å; D154-D170 VanDerWaalsContact CA-O 3.28Å; D154-D170 WeakPolarHBondContact CA-O 3.32Å; F155-D170 HydrophobicContact CD1-CB 3.59Å; F155-D170 HydrophobicContact CE1-CB 3.48Å; F155-D170 VanDerWaalsContact CE1-CB 3.48Å; F155-D170 PolarHBondContact N-O 2.75Å; F155-D170 PolarHBondContact O-N 3.37Å; D170-G172 PolarHBondContact OD1-N 2.97Å; D170-S173 PolarHBondContact OD1-N 2.82Å; D170-G174 WeakPolarHBondContact OD1-CA 3.26Å; D170-G174 PolarHBondContact OD1-N 3.01Å; D170-G174 WeakPolarHBondContact OD2-CA 3.28Å; D170-S175 PolarHBondContact OD2-N 3.32Å; D170-K254 IonicContact OD2-NZ 3.65Å; D170-K254 PolarHBondContact OD2-NZ 2.82Å
171	M	90.9	Very high	91.6	Very high	5 Å²	5	27 Å²	27	3%	0.025	16%	0.16	C	C	.	.	S	Bend	trans	-113.9	18.9	177.8	-69.6	173.9	76.5	0	0	111.3	D154 F169 L205 V223 A229 R230 F232	D154-M171 VanDerWaalsContact OD1-C 3.23Å; F169-M171 HydrophobicContact CD2-CG 3.91Å; F169-M171 HydrophobicContact CD2-SD 4.19Å; F169-M171 HydrophobicContact CE2-CG 4.13Å; F169-M171 HydrophobicContact CE2-SD 3.95Å; M171-L205 HydrophobicContact SD-CD1 4.44Å; M171-V223 HydrophobicContact SD-CG1 4.02Å; M171-V223 HydrophobicContact SD-CG2 4.17Å; M171-A229 HydrophobicContact CB-CB 3.86Å; M171-A229 WeakPolarHBondContact CE-O 3.39Å; M171-A229 VanDerWaalsContact O-CA 3.27Å; M171-A229 WeakPolarHBondContact O-CA 3.45Å; M171-A229 WeakPolarHBondContact O-CB 3.46Å; M171-R230 VanDerWaalsContact CE-C 3.48Å; M171-R230 WeakPolarHBondContact CE-O 3.41Å; M171-F232 HydrophobicContact CE-CD2 4.23Å; M171-F232 HydrophobicContact CE-CE2 4.18Å; M171-F232 HydrophobicContact CE-CZ 4.47Å; M171-F232 HydrophobicContact CG-CD1 3.55Å; M171-F232 HydrophobicContact CG-CD2 4.42Å; M171-F232 HydrophobicContact CG-CE1 3.25Å; M171-F232 HydrophobicContact CG-CE2 4.19Å; M171-F232 HydrophobicContact CG-CG 4.13Å; M171-F232 HydrophobicContact CG-CZ 3.62Å; M171-F232 HydrophobicContact SD-CD1 4.41Å; M171-F232 HydrophobicContact SD-CD2 4.32Å; M171-F232 HydrophobicContact SD-CE1 3.87Å; M171-F232 HydrophobicContact SD-CE2 3.78Å; M171-F232 HydrophobicContact SD-CZ 3.53Å; M171-F232 VanDerWaalsContact SD-CZ 3.53Å
172	G	85.7	Confident	91.5	Very high	45 Å²	45	31.4 Å²	31.4	46%	0.464	19%	0.188	S	C	.	.	S	Bend	trans	104.6	-5	179.9	0	0	0	0	0	114.3	D154 D170	D154-G172 PolarHBondContact OD1-N 2.95Å; D154-G172 VanDerWaalsContact OD1-N 3.09Å; D170-G172 PolarHBondContact OD1-N 2.97Å
173	S	83.9	Confident	91.7	Very high	32 Å²	32	32.3 Å²	32.3	22%	0.224	19%	0.193	C	C	.	.	S	Bend	trans	-97.1	-4.5	179.3	57.9	0	0	0	0	114.1	D170 F224	D170-S173 PolarHBondContact OD1-N 2.82Å; S173-F224 WeakPolarHBondContact CB-O 3.39Å; S173-F224 PolarHBondContact OG-O 3.49Å
174	G	83.7	Confident	91.7	Very high	28 Å²	28	34.7 Å²	34.7	29%	0.289	21%	0.21	S	C	.	.			trans	106.3	150.2	-169.5	0	0	0	0	0	112.1	D170	D170-G174 WeakPolarHBondContact OD1-CA 3.26Å; D170-G174 PolarHBondContact OD1-N 3.01Å; D170-G174 WeakPolarHBondContact OD2-CA 3.28Å
175	S	87.8	Confident	91.7	Very high	58 Å²	58	30.9 Å²	30.9	41%	0.406	20%	0.195	S	C	.	.			trans	-65.9	137	-173.8	-172.5	0	0	0	0	113.2	F155 F169 D170	F155-S175 WeakPolarHBondContact CZ-OG 3.27Å; F169-S175 CarbonylContact O-C 3.56Å; F169-S175 VanDerWaalsContact O-CA 3.28Å; F169-S175 WeakPolarHBondContact O-CA 3.4Å; D170-S175 PolarHBondContact OD2-N 3.32Å
176	Q	90.8	Very high	91.5	Very high	7 Å²	7	31.4 Å²	31.4	3%	0.033	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	139.7	175.2	-59.8	174.4	66.5	0	0	109.5	V168 F169 F178 P222 F224	V168-Q176 WeakPolarHBondContact CA-O 3.3Å; F169-Q176 HydrophobicContact CD1-CB 4.36Å; F169-Q176 HydrophobicContact CE1-CB 3.85Å; F169-Q176 HydrophobicContact CZ-CB 4.04Å; F169-Q176 HydrophobicContact CZ-CG 4.45Å; F169-Q176 PolarHBondContact N-O 2.91Å; F169-Q176 PolarHBondContact O-N 3.1Å; Q176-F178 HydrophobicContact CB-CD2 4.44Å; Q176-F178 HydrophobicContact CB-CE2 3.7Å; Q176-F178 HydrophobicContact CB-CZ 4.49Å; Q176-P222 PolarHBondContact OE1-O 2.91Å; Q176-F224 VanDerWaalsContact CD-CD2 3.41Å; Q176-F224 HydrophobicContact CG-CD2 3.57Å; Q176-F224 HydrophobicContact CG-CE2 3.77Å; Q176-F224 HydrophobicContact CG-CG 4.35Å
177	R	92.5	Very high	91.3	Very high	65 Å²	65	34.6 Å²	34.6	25%	0.245	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	132.3	179.6	169.3	172.1	-78.5	175.1	-7.9	109.9	E159 V168 S256	E159-R177 IonicContact OE2-CZ 3.73Å; E159-R177 IonicContact OE2-NH2 3.79Å; E159-R177 PolarHBondContact OE2-NH2 2.71Å; V168-R177 HydrophobicContact CG1-CB 4.2Å; V168-R177 HydrophobicContact CG2-CB 4.2Å; V168-R177 HydrophobicContact CG2-CG 3.97Å; V168-R177 VanDerWaalsContact CG2-NE 3.26Å; R177-S256 VanDerWaalsContact CZ-OG 3.25Å; R177-S256 PolarHBondContact NH1-OG 2.68Å; R177-S256 PolarHBondContact NH2-OG 3.47Å
178	F	94.9	Very high	91	Very high	29 Å²	29	36.7 Å²	36.7	13%	0.127	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	149.8	178.2	-66.1	-84.1	0	0	0	110.4	H166 F167 F169 Q176 L219 I221	H166-F178 CarbonylContact C-O 3.5Å; H166-F178 VanDerWaalsContact CA-O 3.31Å; H166-F178 WeakPolarHBondContact CA-O 3.39Å; F167-F178 PolarHBondContact N-O 3.09Å; F167-F178 PolarHBondContact O-N 2.56Å; F169-F178 HydrophobicContact CE1-CD2 4.02Å; F169-F178 AromaticContact CE1-CE2 3.86Å; F169-F178 HydrophobicContact CE1-CE2 3.86Å; F169-F178 HydrophobicContact CZ-CE2 4.48Å; Q176-F178 HydrophobicContact CB-CD2 4.44Å; Q176-F178 HydrophobicContact CB-CE2 3.7Å; Q176-F178 HydrophobicContact CB-CZ 4.49Å; F178-L219 HydrophobicContact CB-CD2 3.53Å; F178-L219 HydrophobicContact CD1-CD2 3.85Å; F178-L219 HydrophobicContact CG-CD2 3.97Å; F178-I221 HydrophobicContact CB-CD1 4.06Å; F178-I221 HydrophobicContact CB-CG1 4.38Å; F178-I221 HydrophobicContact CD1-CG1 4.19Å; F178-I221 HydrophobicContact CD2-CB 4.41Å; F178-I221 HydrophobicContact CD2-CD1 3.97Å; F178-I221 HydrophobicContact CD2-CG1 4.03Å; F178-I221 HydrophobicContact CD2-CG2 3.61Å; F178-I221 HydrophobicContact CE1-CG2 4.34Å; F178-I221 HydrophobicContact CE2-CB 4.31Å; F178-I221 HydrophobicContact CE2-CG1 4.38Å; F178-I221 HydrophobicContact CE2-CG2 3.23Å; F178-I221 HydrophobicContact CG-CD1 4Å; F178-I221 HydrophobicContact CG-CG1 3.93Å; F178-I221 HydrophobicContact CG-CG2 4.32Å; F178-I221 HydrophobicContact CZ-CB 4.48Å; F178-I221 HydrophobicContact CZ-CG2 3.64Å
179	A	92.4	Very high	91	Very high	31 Å²	31	41.1 Å²	41.1	26%	0.256	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	137.2	-177.6	0	0	0	0	0	110	H166 T181	H166-A179 WeakPolarHBondContact CE1-CB 3.2Å; A179-T181 HydrophobicContact CB-CG2 3.75Å
180	L	91.7	Very high	91	Very high	10 Å²	10	45.7 Å²	45.7	5%	0.052	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	104.7	169.3	-75.6	171.3	0	0	0	108.7	Y164 L165 L207 I209 Q217 L219	Y164-L180 WeakPolarHBondContact CD1-O 3.44Å; L165-L180 PolarHBondContact O-N 3.39Å; L180-L207 HydrophobicContact CD1-CD2 3.61Å; L180-L207 HydrophobicContact CD1-CG 3.78Å; L180-L207 HydrophobicContact CG-CD2 4.16Å; L180-I209 HydrophobicContact CB-CD1 4.01Å; L180-I209 HydrophobicContact CD1-CB 4.39Å; L180-I209 HydrophobicContact CD1-CD1 3.38Å; L180-I209 HydrophobicContact CD1-CG1 3.53Å; L180-I209 HydrophobicContact CG-CD1 4.34Å; L180-Q217 HydrophobicContact CD1-CB 4.47Å; L180-Q217 HydrophobicContact CD2-CB 3.99Å; L180-L219 HydrophobicContact CD2-CB 3.78Å
181	T	87.5	Confident	91.2	Very high	85 Å²	85	45.4 Å²	45.4	52%	0.521	27%	0.269	S	S	.	.			trans	-111.9	5.6	-163.6	53.1	0	0	0	0	114.6	Y164 A179	Y164-T181 VanDerWaalsContact CD1-CA 3.5Å; Y164-T181 VanDerWaalsContact CE1-O 3.24Å; Y164-T181 WeakPolarHBondContact CE1-O 3.31Å; Y164-T181 HydrophobicContact CG-CG2 4.41Å; A179-T181 HydrophobicContact CB-CG2 3.75Å
182	T	90.3	Very high	91.5	Very high	94 Å²	94	47.4 Å²	47.4	58%	0.577	28%	0.28	S	S	*	.	S	Bend	trans	-76.4	-41.2	-174.4	66.8	0	0	0	0	112.3	Q217	T182-Q217 VanDerWaalsContact N-OE1 3.11Å; T182-Q217 WeakPolarHBondContact OG1-CG 3.35Å; T182-Q217 PolarHBondContact OG1-OE1 2.73Å
183	H	91.5	Very high	92.1	Very high	92 Å²	92	45.2 Å²	45.2	43%	0.426	26%	0.258	S	S	.	.	S	Bend	trans	-134	140.1	176.3	-54.9	84.9	0	0	0	109.4	Q217	H183-Q217 PolarHBondContact O-NE2 2.98Å
184	S	93.3	Very high	92.7	Very high	51 Å²	51	44 Å²	44	36%	0.357	25%	0.248	S	C	.	.			trans	-67.2	141.7	169.6	174.8	0	0	0	0	110	G163 T186	G163-S184 CarbonylContact O-C 3.29Å; G163-S184 VanDerWaalsContact O-CA 3.29Å; G163-S184 WeakPolarHBondContact O-CA 3.46Å; G163-S184 PolarHBondContact O-OG 3.36Å; G163-S184 VanDerWaalsContact O-OG 3.05Å; S184-T186 PolarHBondContact OG-N 3.08Å; S184-T186 PolarHBondContact OG-OG1 3.21Å
185	V	94.9	Very high	93.4	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.006	24%	0.235	C	C	.	.	S	Bend	trans	-108.6	22.7	-178.3	-65.2	0	0	0	0	112.4	F135 L160 G163 L165 H191 I209	F135-V185 HydrophobicContact CE2-CB 4.26Å; F135-V185 HydrophobicContact CE2-CG2 4.16Å; F135-V185 WeakPolarHBondContact CE2-O 3.38Å; F135-V185 HydrophobicContact CZ-CB 3.79Å; F135-V185 HydrophobicContact CZ-CG2 3.68Å; L160-V185 HydrophobicContact CD2-CG2 3.59Å; G163-V185 WeakPolarHBondContact O-CG2 3.4Å; G163-V185 PolarHBondContact O-N 2.85Å; L165-V185 HydrophobicContact CB-CG2 4.28Å; V185-H191 WeakPolarHBondContact CA-NE2 3.39Å; V185-H191 PolarHBondContact O-CD2 3.32Å; V185-H191 VanDerWaalsContact O-CD2 3.29Å; V185-I209 HydrophobicContact CG1-CD1 4.09Å; V185-I209 HydrophobicContact CG1-CG2 4.18Å
186	T	93.2	Very high	93.8	Very high	11 Å²	11	40 Å²	40	7%	0.067	22%	0.216	C	C	.	.			trans	-117.7	33.2	-177.4	60	0	0	0	0	111.7	T137 Q139 L160 S184 S188	T137-T186 HydrophobicContact CG2-CG2 4.01Å; T137-T186 CarbonylContact O-C 3.59Å; T137-T186 VanDerWaalsContact O-C 3.23Å; T137-T186 WeakPolarHBondContact O-CA 3.35Å; Q139-T186 VanDerWaalsContact O-CG2 3.3Å; Q139-T186 WeakPolarHBondContact O-CG2 3.36Å; L160-T186 HydrophobicContact CD1-CG2 4.23Å; L160-T186 HydrophobicContact CD2-CG2 4.38Å; S184-T186 PolarHBondContact OG-N 3.08Å; S184-T186 PolarHBondContact OG-OG1 3.21Å; T186-S188 VanDerWaalsContact C-N 3.28Å; T186-S188 PolarHBondContact O-N 2.92Å
187	D	92.1	Very high	93.9	Very high	71 Å²	71	39.9 Å²	39.9	38%	0.38	22%	0.215	S	C	.	.	S	Bend	trans	-86.5	6	-178.6	68.1	-4.6	0	0	0	113.1	N189 H191	D187-N189 PolarHBondContact O-N 3.49Å; D187-N189 WeakPolarHBondContact OD1-CA 3.21Å; D187-N189 VanDerWaalsContact OD1-CB 3.28Å; D187-N189 WeakPolarHBondContact OD1-CB 3.41Å; D187-N189 PolarHBondContact OD1-N 3.33Å; D187-N189 PolarHBondContact OD2-ND2 3.17Å; D187-H191 IonicContact OD1-CD2 2.71Å; D187-H191 IonicContact OD1-CE1 2.91Å; D187-H191 IonicContact OD1-NE2 3.68Å; D187-H191 PolarHBondContact OD1-NE2 2.79Å; D187-H191 IonicContact OD2-CE1 2.76Å; D187-H191 IonicContact OD2-NE2 3.13Å
188	S	91.3	Very high	93.8	Very high	44 Å²	44	41.3 Å²	41.3	31%	0.308	23%	0.225	S	C	.	.	S	Bend	trans	63.1	20.4	-172.7	-48.9	0	0	0	0	115.1	R136 T137 S138 T186	R136-S188 WeakPolarHBondContact CG-O 3.41Å; R136-S188 PolarHBondContact NE-O 3.43Å; R136-S188 PolarHBondContact NH2-O 2.67Å; T137-S188 WeakPolarHBondContact O-CA 3.06Å; T137-S188 PolarHBondContact O-N 2.81Å; S138-S188 WeakPolarHBondContact CB-OG 3.03Å; T186-S188 VanDerWaalsContact C-N 3.28Å; T186-S188 PolarHBondContact O-N 2.92Å
189	N	94.6	Very high	93.5	Very high	95 Å²	95	41.4 Å²	41.4	51%	0.508	23%	0.226	S	C	.	.	S	Bend	trans	-98.1	170	167.6	-62.1	-47	0	0	0	111.1	R136 D187	R136-N189 WeakPolarHBondContact CA-O 3.27Å; R136-N189 WeakPolarHBondContact CB-O 3.41Å; R136-N189 WeakPolarHBondContact CG-O 3.28Å; D187-N189 PolarHBondContact O-N 3.49Å; D187-N189 WeakPolarHBondContact OD1-CA 3.21Å; D187-N189 VanDerWaalsContact OD1-CB 3.28Å; D187-N189 WeakPolarHBondContact OD1-CB 3.41Å; D187-N189 PolarHBondContact OD1-N 3.33Å; D187-N189 PolarHBondContact OD2-ND2 3.17Å
190	W	95.1	Very high	93.2	Very high	95 Å²	95	42.2 Å²	42.2	36%	0.36	23%	0.226	S	C	.	.			trans	-81.6	124.4	175.1	-74.8	109	0	0	0	109.9	F108 F135 R136 C264 C303	F108-W190 AromaticContact CD1-CH2 3.24Å; F108-W190 HydrophobicContact CD1-CH2 3.24Å; F108-W190 AromaticContact CD1-CZ2 3.9Å; F108-W190 HydrophobicContact CD1-CZ2 3.9Å; F108-W190 AromaticContact CD1-CZ3 3.77Å; F108-W190 HydrophobicContact CD1-CZ3 3.77Å; F108-W190 HydrophobicContact CE1-CE3 4.34Å; F108-W190 AromaticContact CE1-CH2 3.47Å; F108-W190 HydrophobicContact CE1-CH2 3.47Å; F108-W190 VanDerWaalsContact CE1-CH2 3.47Å; F108-W190 AromaticContact CE1-CZ2 3.89Å; F108-W190 HydrophobicContact CE1-CZ2 3.89Å; F108-W190 AromaticContact CE1-CZ3 3.73Å; F108-W190 HydrophobicContact CE1-CZ3 3.73Å; F108-W190 HydrophobicContact CG-CH2 4.1Å; F108-W190 HydrophobicContact CZ-CH2 4.45Å; F108-W190 HydrophobicContact CZ-CZ2 4.48Å; F135-W190 WeakPolarHBondContact O-CA 3.4Å; R136-W190 HydrophobicContact CB-CD2 3.84Å; R136-W190 HydrophobicContact CB-CE3 3.66Å; R136-W190 HydrophobicContact CB-CG 4.44Å; R136-W190 HydrophobicContact CB-CH2 4.31Å; R136-W190 HydrophobicContact CB-CZ2 4.47Å; R136-W190 HydrophobicContact CB-CZ3 3.91Å; W190-C264 HydrophobicContact CH2-CB 3.48Å; W190-C264 VanDerWaalsContact CH2-CB 3.48Å; W190-C264 HydrophobicContact CZ2-CB 4.23Å; W190-C264 HydrophobicContact CZ3-CB 4.02Å; W190-C303 HydrophobicContact CH2-CB 3.81Å; W190-C303 HydrophobicContact CZ2-CB 3.59Å; W190-C303 WeakPolarHBondContact CZ2-SG 3.42Å
191	H	97.3	Very high	92.9	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.019	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	134.7	171.5	-63.1	-70.7	0	0	0	110.4	T134 F135 V185 D187 I209 D210	T134-H191 CarbonylContact C-O 3.53Å; T134-H191 WeakPolarHBondContact CA-O 3.17Å; F135-H191 HydrophobicContact CD1-CB 4.43Å; F135-H191 HydrophobicContact CE1-CB 3.94Å; F135-H191 HydrophobicContact CZ-CB 4.03Å; F135-H191 PolarHBondContact N-O 2.73Å; F135-H191 PolarHBondContact O-N 2.66Å; V185-H191 WeakPolarHBondContact CA-NE2 3.39Å; V185-H191 PolarHBondContact O-CD2 3.32Å; V185-H191 VanDerWaalsContact O-CD2 3.29Å; D187-H191 IonicContact OD1-CD2 2.71Å; D187-H191 IonicContact OD1-CE1 2.91Å; D187-H191 IonicContact OD1-NE2 3.68Å; D187-H191 PolarHBondContact OD1-NE2 2.79Å; D187-H191 IonicContact OD2-CE1 2.76Å; D187-H191 IonicContact OD2-NE2 3.13Å; H191-I209 HydrophobicContact CB-CG2 4.33Å; H191-D210 WeakPolarHBondContact CA-OD1 3.35Å; H191-D210 IonicContact CE1-OD2 3.12Å; H191-D210 IonicContact CG-OD2 3.43Å; H191-D210 IonicContact ND1-OD1 2.84Å; H191-D210 IonicContact ND1-OD2 2.78Å; H191-D210 PolarHBondContact ND1-OD2 2.81Å
192	N	97	Very high	92.7	Very high	47 Å²	47	51 Å²	51	25%	0.251	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	117.7	177.6	-179.6	40.7	0	0	0	110.8	T134 I209 D210	T134-N192 HydrophobicContact CG2-CB 3.92Å; N192-I209 CarbonylContact O-C 3.47Å; N192-I209 VanDerWaalsContact O-CA 3.3Å; N192-I209 WeakPolarHBondContact O-CA 3.48Å; N192-D210 PolarHBondContact N-OD1 2.88Å; N192-D210 PolarHBondContact O-N 3.48Å
193	V	97.9	Very high	92.6	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	129.6	179.2	-173.8	0	0	0	0	109.5	K132 F133 F135 F158 L165 L207 Y208 I209	K132-V193 WeakPolarHBondContact CA-O 3.18Å; F133-V193 HydrophobicContact CD1-CB 4.18Å; F133-V193 HydrophobicContact CD1-CG1 4.47Å; F133-V193 HydrophobicContact CD2-CB 4.23Å; F133-V193 HydrophobicContact CD2-CG2 4.29Å; F133-V193 HydrophobicContact CE1-CB 3.77Å; F133-V193 HydrophobicContact CE1-CG1 3.68Å; F133-V193 HydrophobicContact CE1-CG2 4.44Å; F133-V193 HydrophobicContact CE2-CB 3.83Å; F133-V193 HydrophobicContact CE2-CG1 4.37Å; F133-V193 HydrophobicContact CE2-CG2 3.66Å; F133-V193 HydrophobicContact CG-CB 4.4Å; F133-V193 HydrophobicContact CZ-CB 3.59Å; F133-V193 HydrophobicContact CZ-CG1 3.63Å; F133-V193 HydrophobicContact CZ-CG2 3.75Å; F133-V193 PolarHBondContact N-O 3.5Å; F133-V193 VanDerWaalsContact N-O 3.08Å; F133-V193 PolarHBondContact O-N 2.96Å; F135-V193 HydrophobicContact CD1-CG2 3.83Å; F135-V193 HydrophobicContact CE1-CG2 3.51Å; F158-V193 HydrophobicContact CE1-CG1 3.98Å; F158-V193 HydrophobicContact CZ-CG1 4.42Å; L165-V193 HydrophobicContact CD2-CB 4.49Å; L165-V193 HydrophobicContact CD2-CG1 3.85Å; L165-V193 HydrophobicContact CD2-CG2 3.74Å; V193-L207 HydrophobicContact CG1-CD1 3.9Å; V193-Y208 WeakPolarHBondContact CA-O 3.27Å; V193-I209 HydrophobicContact CG2-CG1 4.46Å
194	E	97.6	Very high	92.7	Very high	6 Å²	6	46.3 Å²	46.3	3%	0.028	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	117.6	175.7	-176.5	176.4	-131.9	0	0	110.1	R130 L131 K132 F196 L207 Y208 R211	R130-E194 VanDerWaalsContact CD-OE1 3.29Å; R130-E194 WeakPolarHBondContact CD-OE1 3.36Å; R130-E194 HydrophobicContact CG-CG 4.37Å; R130-E194 IonicContact CZ-OE1 3.67Å; R130-E194 IonicContact NE-OE1 3.27Å; R130-E194 VanDerWaalsContact NH1-CD 3.32Å; R130-E194 IonicContact NH1-OE1 3.71Å; R130-E194 PolarHBondContact NH1-OE1 2.78Å; R130-E194 IonicContact NH1-OE2 3.8Å; L131-E194 WeakPolarHBondContact O-CA 3.43Å; K132-E194 WeakPolarHBondContact CE-OE1 3.42Å; K132-E194 HydrophobicContact CG-CB 4.42Å; K132-E194 HydrophobicContact CG-CG 4.08Å; K132-E194 IonicContact NZ-OE1 3.77Å; K132-E194 PolarHBondContact NZ-OE1 3.19Å; E194-F196 HydrophobicContact CG-CD1 3.87Å; E194-F196 HydrophobicContact CG-CE1 4.37Å; E194-L207 CarbonylContact O-C 3.59Å; E194-L207 WeakPolarHBondContact O-CA 3.48Å; E194-Y208 PolarHBondContact N-O 3.13Å; E194-Y208 PolarHBondContact O-N 3.43Å; E194-R211 VanDerWaalsContact OE2-CD 3.3Å; E194-R211 WeakPolarHBondContact OE2-CD 3.39Å; E194-R211 IonicContact OE2-CZ 3.83Å; E194-R211 IonicContact OE2-NH1 3.88Å; E194-R211 PolarHBondContact OE2-NH1 3.42Å
195	L	97.7	Very high	92.8	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	126.8	171.2	177.1	74.7	0	0	0	108.9	F129 L131 F158 F167 L205 Q206 L207	F129-L195 HydrophobicContact CE2-CD2 3.99Å; F129-L195 HydrophobicContact CE2-CG 3.98Å; F129-L195 HydrophobicContact CZ-CD2 4.28Å; F129-L195 HydrophobicContact CZ-CG 4.36Å; L131-L195 HydrophobicContact CB-CB 4.42Å; L131-L195 PolarHBondContact N-O 2.85Å; L131-L195 PolarHBondContact O-N 2.87Å; F158-L195 HydrophobicContact CE2-CD2 4.44Å; F158-L195 HydrophobicContact CZ-CB 4.1Å; F158-L195 HydrophobicContact CZ-CD2 4.05Å; F167-L195 HydrophobicContact CD1-CD1 4.4Å; F167-L195 HydrophobicContact CD2-CD2 4.45Å; F167-L195 HydrophobicContact CE1-CD1 3.99Å; F167-L195 HydrophobicContact CE1-CD2 4.12Å; F167-L195 HydrophobicContact CE2-CD2 3.63Å; F167-L195 HydrophobicContact CZ-CD1 4.17Å; F167-L195 HydrophobicContact CZ-CD2 3.44Å; F167-L195 VanDerWaalsContact CZ-CD2 3.44Å; F167-L195 HydrophobicContact CZ-CG 4.46Å; L195-L205 HydrophobicContact CD1-CB 4.23Å; L195-Q206 WeakPolarHBondContact CA-O 3.37Å; L195-L207 HydrophobicContact CB-CD1 4.16Å; L195-L207 HydrophobicContact CD1-CB 4.17Å; L195-L207 HydrophobicContact CD1-CD1 4.27Å
196	F	96.1	Very high	92.8	Very high	2 Å²	2	45 Å²	45	1%	0.009	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	164	178.9	66.2	-86.3	0	0	0	113.6	F129 R130 E194 E198 Q206 Y208	F129-F196 WeakPolarHBondContact O-CA 3.49Å; F129-F196 VanDerWaalsContact O-CB 3.23Å; F129-F196 WeakPolarHBondContact O-CB 3.29Å; R130-F196 HydrophobicContact CB-CB 4.08Å; R130-F196 HydrophobicContact CG-CB 4.1Å; E194-F196 HydrophobicContact CG-CD1 3.87Å; E194-F196 HydrophobicContact CG-CE1 4.37Å; F196-E198 HydrophobicContact CD2-CG 3.88Å; F196-E198 HydrophobicContact CE2-CG 3.66Å; F196-E198 WeakPolarHBondContact CE2-OE1 3.29Å; F196-Q206 HydrophobicContact CD1-CB 4.15Å; F196-Q206 HydrophobicContact CD2-CB 4.24Å; F196-Q206 HydrophobicContact CE1-CB 3.79Å; F196-Q206 HydrophobicContact CE2-CB 3.81Å; F196-Q206 HydrophobicContact CE2-CG 4.04Å; F196-Q206 HydrophobicContact CG-CB 4.42Å; F196-Q206 HydrophobicContact CZ-CB 3.62Å; F196-Q206 HydrophobicContact CZ-CG 4.15Å; F196-Q206 PolarHBondContact N-O 3.31Å; F196-Q206 PolarHBondContact O-N 2.72Å; F196-Y208 HydrophobicContact CD1-CD2 4.46Å; F196-Y208 AromaticContact CE1-CD2 3.52Å; F196-Y208 HydrophobicContact CE1-CD2 3.52Å; F196-Y208 AromaticContact CE1-CE2 3.47Å; F196-Y208 HydrophobicContact CE1-CE2 3.47Å; F196-Y208 VanDerWaalsContact CE1-CE2 3.47Å; F196-Y208 HydrophobicContact CZ-CD2 4.2Å; F196-Y208 AromaticContact CZ-CE2 3.66Å; F196-Y208 HydrophobicContact CZ-CE2 3.66Å
197	R	94.4	Very high	93.1	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.015	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	118	168.9	-177.5	165.8	56.2	177.5	2.3	109.3	E127 R128 F129 D199 L200 L205 R230 N231	E127-R197 VanDerWaalsContact N-NH2 3.17Å; E127-R197 PolarHBondContact O-NE 2.97Å; E127-R197 PolarHBondContact O-NH2 3.18Å; R128-R197 WeakPolarHBondContact CA-O 3.25Å; F129-R197 HydrophobicContact CD1-CB 4.13Å; F129-R197 HydrophobicContact CE1-CB 3.86Å; F129-R197 HydrophobicContact CZ-CB 4.44Å; F129-R197 PolarHBondContact O-N 2.91Å; R197-D199 WeakPolarHBondContact CD-O 3.31Å; R197-D199 WeakPolarHBondContact CG-O 3.5Å; R197-L200 VanDerWaalsContact CZ-CD2 3.45Å; R197-L200 VanDerWaalsContact NH1-CD2 3.3Å; R197-L205 HydrophobicContact CB-CD2 3.88Å; R197-L205 HydrophobicContact CG-CD2 4.31Å; R197-R230 PolarHBondContact NH1-O 3.34Å; R197-R230 PolarHBondContact NH2-O 2.95Å; R197-N231 PolarHBondContact NH2-OD1 2.78Å
198	E	90.4	Very high	93.3	Very high	95 Å²	95	42.7 Å²	42.7	44%	0.444	21%	0.211	S	C	.	.	S	Bend	trans	-76.8	-39.1	-179.9	-89.8	167.9	-179.3	0	0	112.5	R128 F196 Q206	R128-E198 VanDerWaalsContact CD-O 3.24Å; R128-E198 WeakPolarHBondContact CD-O 3.48Å; R128-E198 WeakPolarHBondContact CG-O 3.49Å; R128-E198 PolarHBondContact NE-O 2.85Å; F196-E198 HydrophobicContact CD2-CG 3.88Å; F196-E198 HydrophobicContact CE2-CG 3.66Å; F196-E198 WeakPolarHBondContact CE2-OE1 3.29Å; E198-Q206 PolarHBondContact OE2-NE2 3.32Å
199	D	88.5	Confident	93.6	Very high	31 Å²	31	40.6 Å²	40.6	17%	0.166	20%	0.197	C	C	.	.			trans	-149.7	162	178.2	65.4	72.6	0	0	0	110.9	R197 E201 N202	R197-D199 WeakPolarHBondContact CD-O 3.31Å; R197-D199 WeakPolarHBondContact CG-O 3.5Å; D199-E201 PolarHBondContact OD1-N 3.34Å; D199-N202 VanDerWaalsContact CG-ND2 3.34Å; D199-N202 WeakPolarHBondContact OD1-CB 3.47Å; D199-N202 PolarHBondContact OD1-N 2.93Å; D199-N202 PolarHBondContact OD1-ND2 3.03Å; D199-N202 VanDerWaalsContact OD1-ND2 3.1Å; D199-N202 PolarHBondContact OD2-ND2 2.81Å
200	L	85.4	Confident	93.7	Very high	47 Å²	47	36.1 Å²	36.1	25%	0.246	17%	0.173	C	C	.	.	S	Bend	trans	-84.8	-21.6	175.6	-80.6	165	0	0	0	112.5	E127 R197 N202 N203 R230	E127-L200 HydrophobicContact CB-CD1 3.77Å; E127-L200 HydrophobicContact CB-CG 4.31Å; E127-L200 HydrophobicContact CG-CD1 3.77Å; R197-L200 VanDerWaalsContact CZ-CD2 3.45Å; R197-L200 VanDerWaalsContact NH1-CD2 3.3Å; L200-N202 PolarHBondContact O-N 3.27Å; L200-N203 PolarHBondContact O-N 3.46Å; L200-N203 PolarHBondContact O-OD1 2.74Å; L200-N203 VanDerWaalsContact O-OD1 3.08Å; L200-R230 HydrophobicContact CD2-CB 4.44Å
201	E	84.4	Confident	93.6	Very high	178 Å²	178	35.2 Å²	35.2	83%	0.832	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-38	-170.4	-64.7	177.9	-174	0	0	111.7	D199	D199-E201 PolarHBondContact OD1-N 3.34Å
202	N	84.8	Confident	93.4	Very high	103 Å²	103	41.9 Å²	41.9	55%	0.551	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-14.3	-178.8	-69.1	-49.7	0	0	0	113.3	D199 L200 I204	D199-N202 VanDerWaalsContact CG-ND2 3.34Å; D199-N202 WeakPolarHBondContact OD1-CB 3.47Å; D199-N202 PolarHBondContact OD1-N 2.93Å; D199-N202 PolarHBondContact OD1-ND2 3.03Å; D199-N202 VanDerWaalsContact OD1-ND2 3.1Å; D199-N202 PolarHBondContact OD2-ND2 2.81Å; L200-N202 PolarHBondContact O-N 3.27Å; N202-I204 HydrophobicContact CB-CD1 4.28Å; N202-I204 HydrophobicContact CB-CG1 4.5Å; N202-I204 WeakPolarHBondContact O-CG1 3.4Å; N202-I204 PolarHBondContact O-N 3Å; N202-I204 VanDerWaalsContact O-N 3.14Å
203	N	87.2	Confident	93.2	Very high	29 Å²	29	44.2 Å²	44.2	16%	0.155	22%	0.215	C	C	.	.			trans	49.1	36.4	-174.7	-71.9	-40.7	0	0	0	113.3	L200 V223 G226 D227	L200-N203 PolarHBondContact O-N 3.46Å; L200-N203 PolarHBondContact O-OD1 2.74Å; L200-N203 VanDerWaalsContact O-OD1 3.08Å; N203-V223 WeakPolarHBondContact O-CB 3.29Å; N203-V223 PolarHBondContact O-N 2.79Å; N203-G226 PolarHBondContact OD1-O 2.88Å; N203-D227 PolarHBondContact ND2-OD1 3.12Å
204	I	93	Very high	92.8	Very high	57 Å²	57	50.2 Å²	50.2	29%	0.292	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	129.9	-179.7	-70.8	164.9	0	0	0	109.9	N202 Q206 K220 I221	N202-I204 HydrophobicContact CB-CD1 4.28Å; N202-I204 HydrophobicContact CB-CG1 4.5Å; N202-I204 WeakPolarHBondContact O-CG1 3.4Å; N202-I204 PolarHBondContact O-N 3Å; N202-I204 VanDerWaalsContact O-N 3.14Å; I204-Q206 HydrophobicContact CG2-CG 4.26Å; I204-K220 HydrophobicContact CG2-CB 4.1Å; I204-I221 WeakPolarHBondContact CA-O 3.45Å
205	L	95.4	Very high	92.4	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	140.2	162.5	-54.3	178.8	0	0	0	108.9	F129 F167 F169 M171 L195 R197 I221 V223 F232	F129-L205 HydrophobicContact CE1-CD2 3.96Å; F129-L205 HydrophobicContact CZ-CD2 3.86Å; F167-L205 HydrophobicContact CE1-CD1 4.08Å; F167-L205 HydrophobicContact CZ-CD1 4.48Å; F169-L205 HydrophobicContact CE1-CD1 4.34Å; F169-L205 HydrophobicContact CE2-CD1 4.09Å; F169-L205 HydrophobicContact CZ-CD1 3.99Å; M171-L205 HydrophobicContact SD-CD1 4.44Å; L195-L205 HydrophobicContact CD1-CB 4.23Å; R197-L205 HydrophobicContact CB-CD2 3.88Å; R197-L205 HydrophobicContact CG-CD2 4.31Å; L205-I221 HydrophobicContact CB-CB 4.15Å; L205-I221 HydrophobicContact CB-CG2 4.48Å; L205-I221 PolarHBondContact N-O 2.88Å; L205-I221 PolarHBondContact O-N 2.98Å; L205-V223 HydrophobicContact CD1-CG2 4.13Å; L205-V223 HydrophobicContact CD2-CG2 4.45Å; L205-V223 HydrophobicContact CG-CG2 3.8Å; L205-F232 HydrophobicContact CD1-CE2 4.19Å; L205-F232 HydrophobicContact CD1-CZ 3.97Å
206	Q	96.5	Very high	92.2	Very high	26 Å²	26	56 Å²	56	12%	0.121	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	123.2	174	-60.2	-172.1	24.9	0	0	109.2	L195 F196 E198 I204 Y208	L195-Q206 WeakPolarHBondContact CA-O 3.37Å; F196-Q206 HydrophobicContact CD1-CB 4.15Å; F196-Q206 HydrophobicContact CD2-CB 4.24Å; F196-Q206 HydrophobicContact CE1-CB 3.79Å; F196-Q206 HydrophobicContact CE2-CB 3.81Å; F196-Q206 HydrophobicContact CE2-CG 4.04Å; F196-Q206 HydrophobicContact CG-CB 4.42Å; F196-Q206 HydrophobicContact CZ-CB 3.62Å; F196-Q206 HydrophobicContact CZ-CG 4.15Å; F196-Q206 PolarHBondContact N-O 3.31Å; F196-Q206 PolarHBondContact O-N 2.72Å; E198-Q206 PolarHBondContact OE2-NE2 3.32Å; I204-Q206 HydrophobicContact CG2-CG 4.26Å; Q206-Y208 HydrophobicContact CB-CD2 4.45Å; Q206-Y208 HydrophobicContact CB-CE2 3.95Å; Q206-Y208 PolarHBondContact OE1-OH 3.08Å
207	L	97.9	Very high	92.2	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	127.6	175.3	178.5	65.2	0	0	0	109.1	F158 F167 L180 V193 E194 L195 S218 L219 I221	F158-L207 HydrophobicContact CE1-CD1 3.81Å; F158-L207 HydrophobicContact CZ-CD1 4.25Å; F167-L207 HydrophobicContact CB-CD2 3.91Å; L180-L207 HydrophobicContact CD1-CD2 3.61Å; L180-L207 HydrophobicContact CD1-CG 3.78Å; L180-L207 HydrophobicContact CG-CD2 4.16Å; V193-L207 HydrophobicContact CG1-CD1 3.9Å; E194-L207 CarbonylContact O-C 3.59Å; E194-L207 WeakPolarHBondContact O-CA 3.48Å; L195-L207 HydrophobicContact CB-CD1 4.16Å; L195-L207 HydrophobicContact CD1-CB 4.17Å; L195-L207 HydrophobicContact CD1-CD1 4.27Å; L207-S218 CarbonylContact O-C 3.56Å; L207-S218 VanDerWaalsContact O-CA 3.29Å; L207-S218 WeakPolarHBondContact O-CA 3.06Å; L207-L219 PolarHBondContact N-O 3.1Å; L207-L219 PolarHBondContact O-N 3.2Å; L207-I221 HydrophobicContact CB-CD1 4.18Å
208	Y	97	Very high	92.2	Very high	31 Å²	31	59.4 Å²	59.4	12%	0.122	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	145.5	173.8	-71.4	-102.1	0	0	0	110.8	V193 E194 F196 Q206 R211 E216 Q217 S218	V193-Y208 WeakPolarHBondContact CA-O 3.27Å; E194-Y208 PolarHBondContact N-O 3.13Å; E194-Y208 PolarHBondContact O-N 3.43Å; F196-Y208 HydrophobicContact CD1-CD2 4.46Å; F196-Y208 AromaticContact CE1-CD2 3.52Å; F196-Y208 HydrophobicContact CE1-CD2 3.52Å; F196-Y208 AromaticContact CE1-CE2 3.47Å; F196-Y208 HydrophobicContact CE1-CE2 3.47Å; F196-Y208 VanDerWaalsContact CE1-CE2 3.47Å; F196-Y208 HydrophobicContact CZ-CD2 4.2Å; F196-Y208 AromaticContact CZ-CE2 3.66Å; F196-Y208 HydrophobicContact CZ-CE2 3.66Å; Q206-Y208 HydrophobicContact CB-CD2 4.45Å; Q206-Y208 HydrophobicContact CB-CE2 3.95Å; Q206-Y208 PolarHBondContact OE1-OH 3.08Å; Y208-R211 HydrophobicContact CD1-CB 4.19Å; Y208-R211 HydrophobicContact CD1-CG 3.91Å; Y208-R211 HydrophobicContact CE1-CG 4.38Å; Y208-R211 HydrophobicContact CG-CB 4.4Å; Y208-R211 HydrophobicContact CG-CG 4.36Å; Y208-E216 HydrophobicContact CD1-CG 4.3Å; Y208-E216 WeakPolarHBondContact CE1-OE1 3.49Å; Y208-Q217 CarbonylContact C-O 3.52Å; Y208-Q217 WeakPolarHBondContact CA-O 3.44Å; Y208-S218 VanDerWaalsContact CE1-CB 3.49Å
209	I	97.3	Very high	92.4	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	132.5	161.7	-65	175.6	0	0	0	107.1	L165 L180 V185 H191 N192 V193 R211 E216 Q217	L165-I209 HydrophobicContact CB-CD1 3.68Å; L165-I209 HydrophobicContact CD2-CD1 3.51Å; L165-I209 HydrophobicContact CD2-CG1 3.9Å; L165-I209 HydrophobicContact CG-CD1 4.23Å; L180-I209 HydrophobicContact CB-CD1 4.01Å; L180-I209 HydrophobicContact CD1-CB 4.39Å; L180-I209 HydrophobicContact CD1-CD1 3.38Å; L180-I209 HydrophobicContact CD1-CG1 3.53Å; L180-I209 HydrophobicContact CG-CD1 4.34Å; V185-I209 HydrophobicContact CG1-CD1 4.09Å; V185-I209 HydrophobicContact CG1-CG2 4.18Å; H191-I209 HydrophobicContact CB-CG2 4.33Å; N192-I209 CarbonylContact O-C 3.47Å; N192-I209 VanDerWaalsContact O-CA 3.3Å; N192-I209 WeakPolarHBondContact O-CA 3.48Å; V193-I209 HydrophobicContact CG2-CG1 4.46Å; I209-R211 VanDerWaalsContact C-N 3.28Å; I209-R211 PolarHBondContact O-N 2.86Å; I209-E216 WeakPolarHBondContact O-CA 3.16Å; I209-Q217 HydrophobicContact CB-CB 4.36Å; I209-Q217 PolarHBondContact N-O 3.12Å; I209-Q217 PolarHBondContact O-N 3.22Å
210	D	96.4	Very high	92.8	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.005	32%	0.322	C	S	.	.	S	Bend	trans	55.2	42.6	174	-60.3	-31.4	0	0	0	113.7	H191 N192 N212 Q213 I215	H191-D210 WeakPolarHBondContact CA-OD1 3.35Å; H191-D210 IonicContact CE1-OD2 3.12Å; H191-D210 IonicContact CG-OD2 3.43Å; H191-D210 IonicContact ND1-OD1 2.84Å; H191-D210 IonicContact ND1-OD2 2.78Å; H191-D210 PolarHBondContact ND1-OD2 2.81Å; N192-D210 PolarHBondContact N-OD1 2.88Å; N192-D210 PolarHBondContact O-N 3.48Å; D210-N212 PolarHBondContact O-N 2.05Å; D210-Q213 HydrophobicContact CB-CB 4.07Å; D210-Q213 HydrophobicContact CB-CG 4.19Å; D210-Q213 WeakPolarHBondContact O-CB 3.44Å; D210-Q213 WeakPolarHBondContact O-CG 3.04Å; D210-Q213 PolarHBondContact O-N 3.12Å; D210-I215 HydrophobicContact CB-CD1 4.48Å; D210-I215 HydrophobicContact CB-CG1 4.04Å; D210-I215 WeakPolarHBondContact OD2-CD1 3.29Å
211	R	93.9	Very high	93.2	Very high	76 Å²	76	60.5 Å²	60.5	29%	0.287	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	133.2	177.3	-168.2	177.5	179.3	168.5	7.8	111.5	E194 Y208 I209 Q213 E216	E194-R211 VanDerWaalsContact OE2-CD 3.3Å; E194-R211 WeakPolarHBondContact OE2-CD 3.39Å; E194-R211 IonicContact OE2-CZ 3.83Å; E194-R211 IonicContact OE2-NH1 3.88Å; E194-R211 PolarHBondContact OE2-NH1 3.42Å; Y208-R211 HydrophobicContact CD1-CB 4.19Å; Y208-R211 HydrophobicContact CD1-CG 3.91Å; Y208-R211 HydrophobicContact CE1-CG 4.38Å; Y208-R211 HydrophobicContact CG-CB 4.4Å; Y208-R211 HydrophobicContact CG-CG 4.36Å; I209-R211 VanDerWaalsContact C-N 3.28Å; I209-R211 PolarHBondContact O-N 2.86Å; R211-Q213 VanDerWaalsContact C-N 3.29Å; R211-E216 VanDerWaalsContact CA-OE2 3.28Å; R211-E216 WeakPolarHBondContact CA-OE2 3.32Å
212	N	92.9	Very high	93.6	Very high	145 Å²	145	55.1 Å²	55.1	78%	0.775	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	23.3	-174	-49	-36.9	0	0	0	114.6	D210 E216	D210-N212 PolarHBondContact O-N 2.05Å; N212-E216 PolarHBondContact N-OE2 3.4Å
213	Q	91.7	Very high	93.8	Very high	96 Å²	96	50.8 Å²	50.8	45%	0.449	27%	0.268	S	S	.	.	S	Bend	trans	-117.2	164.3	172.7	-50.6	-177.5	13.1	0	0	110.8	D210 R211 I215 E216	D210-Q213 HydrophobicContact CB-CB 4.07Å; D210-Q213 HydrophobicContact CB-CG 4.19Å; D210-Q213 WeakPolarHBondContact O-CB 3.44Å; D210-Q213 WeakPolarHBondContact O-CG 3.04Å; D210-Q213 PolarHBondContact O-N 3.12Å; R211-Q213 VanDerWaalsContact C-N 3.29Å; Q213-I215 PolarHBondContact O-N 3.02Å; Q213-E216 WeakPolarHBondContact O-CB 3.26Å; Q213-E216 PolarHBondContact O-N 3.03Å; Q213-E216 VanDerWaalsContact O-N 3.14Å
214	S	89.4	Confident	93.8	Very high	126 Å²	126	54 Å²	54	88%	0.881	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-22.2	-177.8	53.9	0	0	0	0	114.3
215	I	89.6	Confident	93.3	Very high	54 Å²	54	56.5 Å²	56.5	28%	0.277	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	19.3	178.9	58	169.8	0	0	0	112.3	D210 Q213 Q217	D210-I215 HydrophobicContact CB-CD1 4.48Å; D210-I215 HydrophobicContact CB-CG1 4.04Å; D210-I215 WeakPolarHBondContact OD2-CD1 3.29Å; Q213-I215 PolarHBondContact O-N 3.02Å; I215-Q217 WeakPolarHBondContact O-CG 3.3Å; I215-Q217 PolarHBondContact O-N 3.08Å
216	E	94.5	Very high	92.2	Very high	75 Å²	75	56.7 Å²	56.7	35%	0.35	30%	0.296	S	S	.	.			trans	-53.5	131.7	179.5	-179.7	178.4	130	0	0	111	Y208 I209 R211 N212 Q213	Y208-E216 HydrophobicContact CD1-CG 4.3Å; Y208-E216 WeakPolarHBondContact CE1-OE1 3.49Å; I209-E216 WeakPolarHBondContact O-CA 3.16Å; R211-E216 VanDerWaalsContact CA-OE2 3.28Å; R211-E216 WeakPolarHBondContact CA-OE2 3.32Å; N212-E216 PolarHBondContact N-OE2 3.4Å; Q213-E216 WeakPolarHBondContact O-CB 3.26Å; Q213-E216 PolarHBondContact O-N 3.03Å; Q213-E216 VanDerWaalsContact O-N 3.14Å
217	Q	94.8	Very high	91.2	Very high	8 Å²	8	61.2 Å²	61.2	4%	0.037	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	138.8	169.1	-41.4	-171.8	44.9	0	0	108.5	L180 T182 H183 Y208 I209 I215	L180-Q217 HydrophobicContact CD1-CB 4.47Å; L180-Q217 HydrophobicContact CD2-CB 3.99Å; T182-Q217 VanDerWaalsContact N-OE1 3.11Å; T182-Q217 WeakPolarHBondContact OG1-CG 3.35Å; T182-Q217 PolarHBondContact OG1-OE1 2.73Å; H183-Q217 PolarHBondContact O-NE2 2.98Å; Y208-Q217 CarbonylContact C-O 3.52Å; Y208-Q217 WeakPolarHBondContact CA-O 3.44Å; I209-Q217 HydrophobicContact CB-CB 4.36Å; I209-Q217 PolarHBondContact N-O 3.12Å; I209-Q217 PolarHBondContact O-N 3.22Å; I215-Q217 WeakPolarHBondContact O-CG 3.3Å; I215-Q217 PolarHBondContact O-N 3.08Å
218	S	95.3	Very high	90.4	Very high	69 Å²	69	68.1 Å²	68.1	48%	0.483	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	150	177.2	66.3	0	0	0	0	111.9	L207 Y208	L207-S218 CarbonylContact O-C 3.56Å; L207-S218 VanDerWaalsContact O-CA 3.29Å; L207-S218 WeakPolarHBondContact O-CA 3.06Å; Y208-S218 VanDerWaalsContact CE1-CB 3.49Å
219	L	95.3	Very high	89.5	Confident	49 Å²	49	66.8 Å²	66.8	26%	0.257	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	128.9	175.6	-172.7	65.6	0	0	0	110.5	F178 L180 L207 I221	F178-L219 HydrophobicContact CB-CD2 3.53Å; F178-L219 HydrophobicContact CD1-CD2 3.85Å; F178-L219 HydrophobicContact CG-CD2 3.97Å; L180-L219 HydrophobicContact CD2-CB 3.78Å; L207-L219 PolarHBondContact N-O 3.1Å; L207-L219 PolarHBondContact O-N 3.2Å; L219-I221 HydrophobicContact CB-CG1 4.46Å; L219-I221 HydrophobicContact CD2-CD1 4.07Å; L219-I221 HydrophobicContact CD2-CG1 3.77Å; L219-I221 HydrophobicContact CG-CD1 4.46Å; L219-I221 HydrophobicContact CG-CG1 3.8Å
220	K	95.3	Very high	88.9	Confident	147 Å²	147	73.7 Å²	73.7	64%	0.639	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	115.1	169	-67.5	-176	178.8	-177.8	0	108.6	I204	I204-K220 HydrophobicContact CG2-CB 4.1Å
221	I	94.8	Very high	88.5	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	109.6	-171.9	-65.3	173.1	0	0	0	108.7	F167 F169 F178 I204 L205 L207 L219	F167-I221 HydrophobicContact CD1-CD1 3.74Å; F167-I221 HydrophobicContact CE1-CD1 4.3Å; F169-I221 HydrophobicContact CE1-CG2 3.74Å; F169-I221 HydrophobicContact CZ-CG2 3.91Å; F178-I221 HydrophobicContact CB-CD1 4.06Å; F178-I221 HydrophobicContact CB-CG1 4.38Å; F178-I221 HydrophobicContact CD1-CG1 4.19Å; F178-I221 HydrophobicContact CD2-CB 4.41Å; F178-I221 HydrophobicContact CD2-CD1 3.97Å; F178-I221 HydrophobicContact CD2-CG1 4.03Å; F178-I221 HydrophobicContact CD2-CG2 3.61Å; F178-I221 HydrophobicContact CE1-CG2 4.34Å; F178-I221 HydrophobicContact CE2-CB 4.31Å; F178-I221 HydrophobicContact CE2-CG1 4.38Å; F178-I221 HydrophobicContact CE2-CG2 3.23Å; F178-I221 HydrophobicContact CG-CD1 4Å; F178-I221 HydrophobicContact CG-CG1 3.93Å; F178-I221 HydrophobicContact CG-CG2 4.32Å; F178-I221 HydrophobicContact CZ-CB 4.48Å; F178-I221 HydrophobicContact CZ-CG2 3.64Å; I204-I221 WeakPolarHBondContact CA-O 3.45Å; L205-I221 HydrophobicContact CB-CB 4.15Å; L205-I221 HydrophobicContact CB-CG2 4.48Å; L205-I221 PolarHBondContact N-O 2.88Å; L205-I221 PolarHBondContact O-N 2.98Å; L207-I221 HydrophobicContact CB-CD1 4.18Å; L219-I221 HydrophobicContact CB-CG1 4.46Å; L219-I221 HydrophobicContact CD2-CD1 4.07Å; L219-I221 HydrophobicContact CD2-CG1 3.77Å; L219-I221 HydrophobicContact CG-CD1 4.46Å; L219-I221 HydrophobicContact CG-CG1 3.8Å
222	P	92.3	Very high	88.4	Confident	65 Å²	65	71.6 Å²	71.6	42%	0.422	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	128.8	173.7	29.7	-32.4	0	0	0	109.9	Q176 F224	Q176-P222 PolarHBondContact OE1-O 2.91Å; P222-F224 HydrophobicContact CG-CE1 4.37Å; P222-F224 PolarHBondContact O-N 3Å
223	V	90.1	Very high	88.4	Confident	11 Å²	11	68.1 Å²	68.1	7%	0.067	35%	0.354	C	S	.	.			trans	-83.5	110.4	173.4	-178	0	0	0	0	108.9	F169 M171 N203 L205 N225 G226 A229	F169-V223 HydrophobicContact CE2-CG2 4.37Å; F169-V223 HydrophobicContact CZ-CG2 4.37Å; M171-V223 HydrophobicContact SD-CG1 4.02Å; M171-V223 HydrophobicContact SD-CG2 4.17Å; N203-V223 WeakPolarHBondContact O-CB 3.29Å; N203-V223 PolarHBondContact O-N 2.79Å; L205-V223 HydrophobicContact CD1-CG2 4.13Å; L205-V223 HydrophobicContact CD2-CG2 4.45Å; L205-V223 HydrophobicContact CG-CG2 3.8Å; V223-N225 PolarHBondContact O-N 3.27Å; V223-G226 PolarHBondContact O-N 2.75Å; V223-A229 HydrophobicContact CG1-CB 4.29Å
224	F	85.9	Confident	88.5	Confident	97 Å²	97	63.6 Å²	63.6	43%	0.425	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	136.4	174.2	-57.5	-25.5	0	0	0	111.2	S173 Q176 P222 G226	S173-F224 WeakPolarHBondContact CB-O 3.39Å; S173-F224 PolarHBondContact OG-O 3.49Å; Q176-F224 VanDerWaalsContact CD-CD2 3.41Å; Q176-F224 HydrophobicContact CG-CD2 3.57Å; Q176-F224 HydrophobicContact CG-CE2 3.77Å; Q176-F224 HydrophobicContact CG-CG 4.35Å; P222-F224 HydrophobicContact CG-CE1 4.37Å; P222-F224 PolarHBondContact O-N 3Å; F224-G226 PolarHBondContact O-N 2.91Å; F224-G226 VanDerWaalsContact O-N 3.12Å
225	N	82.6	Confident	88.6	Confident	110 Å²	110	62.5 Å²	62.5	59%	0.588	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	35.1	-177.3	-54	-25.9	0	0	0	114	V223 D227 I228 A229	V223-N225 PolarHBondContact O-N 3.27Å; N225-D227 PolarHBondContact O-N 3.01Å; N225-I228 PolarHBondContact O-N 3.28Å; N225-A229 PolarHBondContact O-N 3.46Å
226	G	73.8	Confident	88.8	Confident	3 Å²	3	61.7 Å²	61.7	3%	0.031	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-19.5	-177.6	0	0	0	0	0	115	N203 V223 F224 I228 R230	N203-G226 PolarHBondContact OD1-O 2.88Å; V223-G226 PolarHBondContact O-N 2.75Å; F224-G226 PolarHBondContact O-N 2.91Å; F224-G226 VanDerWaalsContact O-N 3.12Å; G226-I228 PolarHBondContact O-N 3.23Å; G226-R230 WeakPolarHBondContact O-CG 3.06Å
227	D	75.4	Confident	88.8	Confident	122 Å²	122	59.4 Å²	59.4	65%	0.652	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-34.1	172.2	-60.5	-23.7	0	0	0	112.5	N203 N225 R230	N203-D227 PolarHBondContact ND2-OD1 3.12Å; N225-D227 PolarHBondContact O-N 3.01Å; D227-R230 PolarHBondContact O-NE 3.47Å
228	I	79.6	Confident	88.9	Confident	146 Å²	146	59.1 Å²	59.1	75%	0.749	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-44.6	177.3	-52.1	172.6	0	0	0	110	N225 G226 R230	N225-I228 PolarHBondContact O-N 3.28Å; G226-I228 PolarHBondContact O-N 3.23Å; I228-R230 VanDerWaalsContact C-N 3.34Å; I228-R230 PolarHBondContact O-N 3.24Å
229	A	79.4	Confident	88.9	Confident	3 Å²	3	57.2 Å²	57.2	3%	0.025	29%	0.287	C	S	.	.			trans	-84.7	67.7	-174.6	0	0	0	0	0	112.4	M171 V223 N225	M171-A229 HydrophobicContact CB-CB 3.86Å; M171-A229 WeakPolarHBondContact CE-O 3.39Å; M171-A229 VanDerWaalsContact O-CA 3.27Å; M171-A229 WeakPolarHBondContact O-CA 3.45Å; M171-A229 WeakPolarHBondContact O-CB 3.46Å; V223-A229 HydrophobicContact CG1-CB 4.29Å; N225-A229 PolarHBondContact O-N 3.46Å
230	R	83.9	Confident	89.1	Confident	144 Å²	144	54.9 Å²	54.9	54%	0.543	27%	0.274	S	S	.	.			trans	-87.3	-29.9	-168.6	-66.9	-173.6	-178.1	-163.4	-4.2	115.5	M171 R197 L200 G226 D227 I228	M171-R230 VanDerWaalsContact CE-C 3.48Å; M171-R230 WeakPolarHBondContact CE-O 3.41Å; R197-R230 PolarHBondContact NH1-O 3.34Å; R197-R230 PolarHBondContact NH2-O 2.95Å; L200-R230 HydrophobicContact CD2-CB 4.44Å; G226-R230 WeakPolarHBondContact O-CG 3.06Å; D227-R230 PolarHBondContact O-NE 3.47Å; I228-R230 VanDerWaalsContact C-N 3.34Å; I228-R230 PolarHBondContact O-N 3.24Å
231	N	88.8	Confident	89.1	Confident	34 Å²	34	47.9 Å²	47.9	18%	0.182	24%	0.244	C	C	.	.	S	Bend	trans	-138.5	158.2	-172.6	-67.2	-43.3	0	0	0	111.2	Y126 E127 R197 N233	Y126-N231 HydrophobicContact CD1-CB 3.99Å; E127-N231 PolarHBondContact N-OD1 3.03Å; R197-N231 PolarHBondContact NH2-OD1 2.78Å; N231-N233 PolarHBondContact O-N 3.01Å
232	F	91.9	Very high	89.2	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-86.5	101.9	168.1	-72.2	-72.3	0	0	0	109.2	L125 F129 L156 F167 F169 M171 L205 L234	L125-F232 HydrophobicContact CB-CB 4.17Å; L125-F232 HydrophobicContact CB-CD2 4.11Å; L125-F232 HydrophobicContact CD1-CD2 4.25Å; L125-F232 PolarHBondContact O-N 2.95Å; F129-F232 HydrophobicContact CE1-CD2 4.03Å; F129-F232 AromaticContact CE1-CE2 3.9Å; F129-F232 HydrophobicContact CE1-CE2 3.9Å; F129-F232 HydrophobicContact CZ-CD2 4.14Å; F129-F232 AromaticContact CZ-CE2 3.71Å; F129-F232 HydrophobicContact CZ-CE2 3.71Å; L156-F232 HydrophobicContact CB-CD1 4.44Å; L156-F232 HydrophobicContact CB-CE1 4.14Å; L156-F232 HydrophobicContact CD2-CD1 4.16Å; L156-F232 HydrophobicContact CD2-CD2 4.44Å; L156-F232 HydrophobicContact CD2-CE1 4.3Å; L156-F232 HydrophobicContact CD2-CG 4.24Å; L156-F232 HydrophobicContact CD2-CZ 4.48Å; F167-F232 HydrophobicContact CZ-CZ 4.33Å; F169-F232 HydrophobicContact CB-CE1 3.83Å; F169-F232 HydrophobicContact CB-CZ 4.2Å; F169-F232 AromaticContact CD2-CE1 3.72Å; F169-F232 HydrophobicContact CD2-CE1 3.72Å; F169-F232 AromaticContact CD2-CZ 3.77Å; F169-F232 HydrophobicContact CD2-CZ 3.77Å; F169-F232 HydrophobicContact CE2-CZ 4.46Å; F169-F232 HydrophobicContact CG-CE1 4.11Å; F169-F232 HydrophobicContact CG-CZ 4.15Å; M171-F232 HydrophobicContact CE-CD2 4.23Å; M171-F232 HydrophobicContact CE-CE2 4.18Å; M171-F232 HydrophobicContact CE-CZ 4.47Å; M171-F232 HydrophobicContact CG-CD1 3.55Å; M171-F232 HydrophobicContact CG-CD2 4.42Å; M171-F232 HydrophobicContact CG-CE1 3.25Å; M171-F232 HydrophobicContact CG-CE2 4.19Å; M171-F232 HydrophobicContact CG-CG 4.13Å; M171-F232 HydrophobicContact CG-CZ 3.62Å; M171-F232 HydrophobicContact SD-CD1 4.41Å; M171-F232 HydrophobicContact SD-CD2 4.32Å; M171-F232 HydrophobicContact SD-CE1 3.87Å; M171-F232 HydrophobicContact SD-CE2 3.78Å; M171-F232 HydrophobicContact SD-CZ 3.53Å; M171-F232 VanDerWaalsContact SD-CZ 3.53Å; L205-F232 HydrophobicContact CD1-CE2 4.19Å; L205-F232 HydrophobicContact CD1-CZ 3.97Å; F232-L234 VanDerWaalsContact C-N 3.25Å; F232-L234 HydrophobicContact CB-CD1 4.01Å; F232-L234 HydrophobicContact CB-CD2 4.22Å; F232-L234 HydrophobicContact CB-CG 3.86Å; F232-L234 PolarHBondContact O-N 3Å
233	N	92.1	Very high	89.3	Confident	71 Å²	71	45.7 Å²	45.7	38%	0.38	23%	0.229	S	C	.	.			trans	-85	64.6	-179.7	-55	-60.5	0	0	0	111.8	D149 D154 N231 N235	D149-N233 VanDerWaalsContact CB-O 3.26Å; D149-N233 WeakPolarHBondContact CB-O 3.24Å; D154-N233 VanDerWaalsContact OD2-CB 3.24Å; D154-N233 WeakPolarHBondContact OD2-CB 3.37Å; D154-N233 PolarHBondContact OD2-N 2.91Å; D154-N233 PolarHBondContact OD2-ND2 3.01Å; N231-N233 PolarHBondContact O-N 3.01Å; N233-N235 PolarHBondContact O-N 2.99Å
234	L	94.2	Very high	89.3	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.005	23%	0.234	C	C	.	.			trans	-82.9	108.1	-174.3	-47.9	172.6	0	0	0	110.3	S122 M123 L125 N147 S148 L156 F232	S122-L234 WeakPolarHBondContact CB-O 3.44Å; S122-L234 PolarHBondContact OG-O 3.45Å; M123-L234 HydrophobicContact CB-CD1 4.26Å; M123-L234 HydrophobicContact CE-CD1 3.93Å; L125-L234 HydrophobicContact CD1-CD1 4.4Å; N147-L234 HydrophobicContact CB-CD1 4.13Å; N147-L234 WeakPolarHBondContact OD1-CB 3.22Å; N147-L234 WeakPolarHBondContact OD1-CD1 3.03Å; S148-L234 CarbonylContact O-C 3.56Å; S148-L234 WeakPolarHBondContact O-CA 3.07Å; L156-L234 HydrophobicContact CD2-CD1 3.79Å; L156-L234 HydrophobicContact CG-CD1 4.21Å; F232-L234 VanDerWaalsContact C-N 3.25Å; F232-L234 HydrophobicContact CB-CD1 4.01Å; F232-L234 HydrophobicContact CB-CD2 4.22Å; F232-L234 HydrophobicContact CB-CG 3.86Å; F232-L234 PolarHBondContact O-N 3Å
235	N	91.3	Very high	89.3	Confident	103 Å²	103	45.4 Å²	45.4	55%	0.551	23%	0.231	S	C	*	.			trans	-114.6	-21.6	-177.8	-69.4	-40.8	0	0	0	113.4	S148 N233	S148-N235 PolarHBondContact O-N 2.77Å; N233-N235 PolarHBondContact O-N 2.99Å
236	D	93.3	Very high	89.5	Confident	38 Å²	38	45.4 Å²	45.4	20%	0.203	23%	0.23	C	C	.	.	S	Bend	trans	-76.4	163	172.4	-84.4	-1.1	0	0	0	109.8	S122 N147 S148 K150 K250	S122-D236 WeakPolarHBondContact CB-O 3.42Å; S122-D236 PolarHBondContact OG-O 3Å; N147-D236 PolarHBondContact ND2-O 2.97Å; S148-D236 WeakPolarHBondContact O-CB 3.37Å; S148-D236 PolarHBondContact O-N 3.19Å; K150-D236 WeakPolarHBondContact CA-OD1 3.39Å; D236-K250 IonicContact OD2-NZ 3.23Å; D236-K250 PolarHBondContact OD2-NZ 3.24Å
237	P	94	Very high	90.3	Very high	26 Å²	26	46.3 Å²	46.3	17%	0.169	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-61.9	153.3	-178.9	-29.1	42.2	0	0	0	113.7	H119 N147 Y239	H119-P237 WeakPolarHBondContact CD2-CB 3.46Å; H119-P237 WeakPolarHBondContact NE2-CB 3.18Å; H119-P237 WeakPolarHBondContact NE2-CG 3.39Å; N147-P237 VanDerWaalsContact ND2-C 3.32Å; N147-P237 PolarHBondContact ND2-O 2.79Å; P237-Y239 HydrophobicContact CB-CE2 4.48Å; P237-Y239 WeakPolarHBondContact O-CD2 3.44Å
238	L	96.8	Very high	91	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.016	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	120.6	172.8	170.9	62.7	0	0	0	109	N120 P121 M123 L145 N147 I240 F268	N120-L238 WeakPolarHBondContact CA-O 3.45Å; N120-L238 HydrophobicContact CB-CB 3.95Å; N120-L238 HydrophobicContact CB-CD2 4.1Å; N120-L238 HydrophobicContact CB-CG 4.12Å; N120-L238 WeakPolarHBondContact CB-O 3.38Å; N120-L238 PolarHBondContact N-O 2.94Å; N120-L238 PolarHBondContact O-N 3.45Å; P121-L238 WeakPolarHBondContact O-CB 3.27Å; M123-L238 HydrophobicContact CE-CD1 3.96Å; M123-L238 HydrophobicContact CG-CD1 4.2Å; M123-L238 HydrophobicContact CG-CD2 3.83Å; M123-L238 HydrophobicContact CG-CG 4.45Å; M123-L238 HydrophobicContact SD-CD1 4.1Å; M123-L238 HydrophobicContact SD-CD2 4.26Å; L145-L238 HydrophobicContact CD1-CD1 3.86Å; L145-L238 HydrophobicContact CD2-CD1 3.63Å; L145-L238 HydrophobicContact CG-CD1 3.61Å; N147-L238 HydrophobicContact CB-CD1 3.79Å; L238-I240 HydrophobicContact CD1-CD1 3.92Å; L238-I240 HydrophobicContact CD2-CD1 3.94Å; L238-I240 HydrophobicContact CD2-CG1 4.47Å; L238-I240 HydrophobicContact CG-CD1 3.8Å; L238-I240 HydrophobicContact CG-CG1 4.21Å; L238-F268 HydrophobicContact CD2-CE1 4.1Å; L238-F268 HydrophobicContact CD2-CZ 3.77Å
239	Y	97.1	Very high	91.4	Very high	29 Å²	29	35.4 Å²	35.4	11%	0.114	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	129.1	173.4	-67.1	-87	0	0	0	110.3	Y117 L118 H119 L145 F146 P237 G242 I243 V247	Y117-Y239 AromaticContact CD2-CD1 3.86Å; Y117-Y239 HydrophobicContact CD2-CD1 3.86Å; Y117-Y239 HydrophobicContact CD2-CE1 4.18Å; Y117-Y239 HydrophobicContact CE2-CD1 4.26Å; Y117-Y239 HydrophobicContact CE2-CE1 4.11Å; L118-Y239 WeakPolarHBondContact O-CA 3.28Å; H119-Y239 AromaticContact CD2-CE1 3.77Å; H119-Y239 AromaticContact CD2-CZ 3.88Å; L145-Y239 CarbonylContact C-O 3.59Å; L145-Y239 WeakPolarHBondContact CA-O 3.19Å; F146-Y239 AromaticContact CD1-CD2 3.86Å; F146-Y239 HydrophobicContact CD1-CD2 3.86Å; F146-Y239 HydrophobicContact CE1-CD2 4.45Å; F146-Y239 PolarHBondContact N-O 2.93Å; F146-Y239 PolarHBondContact O-N 2.85Å; P237-Y239 HydrophobicContact CB-CE2 4.48Å; P237-Y239 WeakPolarHBondContact O-CD2 3.44Å; Y239-G242 WeakPolarHBondContact CB-O 3.44Å; Y239-I243 HydrophobicContact CD1-CG2 4.11Å; Y239-I243 HydrophobicContact CD2-CG2 4.14Å; Y239-I243 HydrophobicContact CG-CG2 3.72Å; Y239-V247 HydrophobicContact CE2-CG1 4.37Å; Y239-V247 HydrophobicContact CE2-CG2 4.4Å
240	I	97.6	Very high	91.7	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	134.3	176.1	-51.2	-68.3	0	0	0	108.8	I109 F111 Y117 L118 L145 L238 G242 L265 L278	I109-I240 HydrophobicContact CD1-CG2 4.36Å; F111-I240 WeakPolarHBondContact CE1-O 3.23Å; F111-I240 HydrophobicContact CE2-CG2 3.95Å; F111-I240 HydrophobicContact CZ-CB 4.28Å; F111-I240 HydrophobicContact CZ-CG2 3.8Å; F111-I240 WeakPolarHBondContact CZ-O 3.38Å; Y117-I240 CarbonylContact C-O 3.54Å; Y117-I240 WeakPolarHBondContact CA-O 3.31Å; L118-I240 HydrophobicContact CB-CB 4.21Å; L118-I240 PolarHBondContact N-O 2.9Å; L118-I240 PolarHBondContact O-N 2.82Å; L145-I240 HydrophobicContact CB-CD1 4.41Å; L145-I240 HydrophobicContact CD1-CD1 3.46Å; L145-I240 VanDerWaalsContact CD1-CD1 3.46Å; L145-I240 HydrophobicContact CG-CD1 3.78Å; L238-I240 HydrophobicContact CD1-CD1 3.92Å; L238-I240 HydrophobicContact CD2-CD1 3.94Å; L238-I240 HydrophobicContact CD2-CG1 4.47Å; L238-I240 HydrophobicContact CG-CD1 3.8Å; L238-I240 HydrophobicContact CG-CG1 4.21Å; I240-G242 VanDerWaalsContact C-N 3.27Å; I240-G242 PolarHBondContact O-N 3.41Å; I240-L265 HydrophobicContact CG2-CD1 3.85Å; I240-L265 HydrophobicContact CG2-CD2 4.07Å; I240-L278 HydrophobicContact CD1-CD1 4.33Å; I240-L278 HydrophobicContact CG1-CD1 4.18Å; I240-L278 HydrophobicContact CG1-CD2 4.44Å; I240-L278 HydrophobicContact CG2-CD1 4.31Å
241	G	96.6	Very high	92	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	83.6	-13.7	174.8	0	0	0	0	0	115.3	C116 L143 I144 G260 F261	C116-G241 CarbonylContact O-C 3.58Å; L143-G241 CarbonylContact O-C 3.56Å; L143-G241 VanDerWaalsContact O-C 3.26Å; I144-G241 PolarHBondContact O-N 2.97Å; G241-G260 CarbonylContact O-C 3.59Å; G241-G260 VanDerWaalsContact O-C 3.29Å; G241-G260 WeakPolarHBondContact O-CA 3.16Å; G241-F261 PolarHBondContact O-N 3.24Å
242	G	95.9	Very high	91.8	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.01	16%	0.162	C	C	.	.			trans	163.9	-170.5	-179.4	0	0	0	0	0	111.2	Y117 Y239 I240	Y117-G242 WeakPolarHBondContact CB-O 3.43Å; Y239-G242 WeakPolarHBondContact CB-O 3.44Å; I240-G242 VanDerWaalsContact C-N 3.27Å; I240-G242 PolarHBondContact O-N 3.41Å
243	I	94.8	Very high	91.3	Very high	18 Å²	18	34.8 Å²	34.8	9%	0.092	18%	0.177	C	C	.	.			trans	-144	165.4	176.4	52.8	179.4	0	0	0	110.4	L143 F146 Y239 V247 F248 L255	L143-I243 HydrophobicContact CD2-CB 4.24Å; L143-I243 HydrophobicContact CD2-CD1 3.8Å; L143-I243 HydrophobicContact CD2-CG1 3.74Å; L143-I243 HydrophobicContact CD2-CG2 3.71Å; F146-I243 HydrophobicContact CB-CG2 4.15Å; F146-I243 HydrophobicContact CD1-CG2 3.74Å; F146-I243 HydrophobicContact CG-CG2 4.28Å; Y239-I243 HydrophobicContact CD1-CG2 4.11Å; Y239-I243 HydrophobicContact CD2-CG2 4.14Å; Y239-I243 HydrophobicContact CG-CG2 3.72Å; I243-V247 HydrophobicContact CB-CB 4.2Å; I243-V247 HydrophobicContact CB-CG1 4.08Å; I243-V247 HydrophobicContact CD1-CG1 4.18Å; I243-V247 HydrophobicContact CG2-CG1 4.06Å; I243-F248 HydrophobicContact CD1-CB 3.79Å; I243-F248 HydrophobicContact CD1-CD2 4.27Å; I243-F248 HydrophobicContact CG1-CB 4.24Å; I243-L255 HydrophobicContact CD1-CD1 3.58Å
244	S	91.1	Very high	91	Very high	25 Å²	25	33.2 Å²	33.2	18%	0.175	17%	0.167	C	C	.	.			trans	-74.8	157	171.7	75.2	0	0	0	0	111.5	L246 V247 F248	S244-L246 PolarHBondContact O-N 3.01Å; S244-V247 PolarHBondContact O-N 3.13Å; S244-V247 VanDerWaalsContact O-N 3.07Å; S244-V247 WeakPolarHBondContact OG-CG2 3.47Å; S244-V247 PolarHBondContact OG-N 2.95Å; S244-F248 PolarHBondContact O-N 2.8Å
245	Q	85.9	Confident	90.8	Very high	77 Å²	77	33.2 Å²	33.2	36%	0.36	17%	0.167	S	C	.	.	H	α-helix	trans	-56.1	-38.8	176.3	-171.8	-178.7	6.3	0	0	112.3	V247 F248 L249	Q245-V247 PolarHBondContact O-N 3.49Å; Q245-F248 PolarHBondContact O-N 2.88Å; Q245-L249 HydrophobicContact CG-CD1 4.31Å; Q245-L249 VanDerWaalsContact O-CG 3.29Å; Q245-L249 WeakPolarHBondContact O-CG 3.23Å; Q245-L249 PolarHBondContact O-N 2.81Å
246	L	86.4	Confident	90.5	Very high	110 Å²	110	28.8 Å²	28.8	58%	0.576	14%	0.144	S	C	*	.	H	α-helix	trans	-63.6	-40.3	177.5	-67.9	173.8	0	0	0	112.2	S244 K250 L592	S244-L246 PolarHBondContact O-N 3.01Å; L246-K250 PolarHBondContact O-N 2.89Å; L246-K250 VanDerWaalsContact O-N 3.16Å; L246-L592 HydrophobicContact CD2-CD2 4.23Å
247	V	90.5	Very high	90.2	Very high	21 Å²	21	27.5 Å²	27.5	13%	0.127	14%	0.138	C	C	.	.	H	α-helix	trans	-69.2	-42.9	176	176.2	0	0	0	0	110	F146 Y239 I243 S244 Q245 L249 K250 W251	F146-V247 HydrophobicContact CD1-CG1 4.24Å; F146-V247 HydrophobicContact CE1-CG1 3.77Å; Y239-V247 HydrophobicContact CE2-CG1 4.37Å; Y239-V247 HydrophobicContact CE2-CG2 4.4Å; I243-V247 HydrophobicContact CB-CB 4.2Å; I243-V247 HydrophobicContact CB-CG1 4.08Å; I243-V247 HydrophobicContact CD1-CG1 4.18Å; I243-V247 HydrophobicContact CG2-CG1 4.06Å; S244-V247 PolarHBondContact O-N 3.13Å; S244-V247 VanDerWaalsContact O-N 3.07Å; S244-V247 WeakPolarHBondContact OG-CG2 3.47Å; S244-V247 PolarHBondContact OG-N 2.95Å; Q245-V247 PolarHBondContact O-N 3.49Å; V247-L249 VanDerWaalsContact C-N 3.34Å; V247-L249 PolarHBondContact O-N 2.75Å; V247-K250 WeakPolarHBondContact O-CB 3.15Å; V247-K250 PolarHBondContact O-N 3.38Å; V247-W251 VanDerWaalsContact O-CD1 3.3Å; V247-W251 PolarHBondContact O-N 2.83Å
248	F	89.8	Confident	89.6	Confident	4 Å²	4	29.4 Å²	29.4	2%	0.018	14%	0.142	C	C	.	.	H	α-helix	trans	-57.8	-45.9	175.4	175.8	-100	0	0	0	111.8	I243 S244 Q245 K250 W251 R252 Y258	I243-F248 HydrophobicContact CD1-CB 3.79Å; I243-F248 HydrophobicContact CD1-CD2 4.27Å; I243-F248 HydrophobicContact CG1-CB 4.24Å; S244-F248 PolarHBondContact O-N 2.8Å; Q245-F248 PolarHBondContact O-N 2.88Å; F248-K250 VanDerWaalsContact C-N 3.32Å; F248-K250 PolarHBondContact O-N 2.95Å; F248-W251 CarbonylContact O-C 3.59Å; F248-W251 PolarHBondContact O-N 3.01Å; F248-W251 VanDerWaalsContact O-N 3.08Å; F248-R252 VanDerWaalsContact CE1-CD 3.4Å; F248-R252 HydrophobicContact CE1-CG 4.49Å; F248-R252 HydrophobicContact CZ-CG 4.46Å; F248-R252 VanDerWaalsContact O-CA 3.29Å; F248-R252 WeakPolarHBondContact O-CA 3.47Å; F248-R252 WeakPolarHBondContact O-CB 3.16Å; F248-R252 PolarHBondContact O-N 2.77Å; F248-Y258 AromaticContact CD1-CD2 3.37Å; F248-Y258 HydrophobicContact CD1-CD2 3.37Å; F248-Y258 AromaticContact CD1-CE2 3.62Å; F248-Y258 HydrophobicContact CD1-CE2 3.62Å; F248-Y258 AromaticContact CD2-CD2 4Å; F248-Y258 HydrophobicContact CD2-CD2 4Å; F248-Y258 AromaticContact CE1-CD2 3.25Å; F248-Y258 HydrophobicContact CE1-CD2 3.25Å; F248-Y258 AromaticContact CE1-CE2 3.78Å; F248-Y258 HydrophobicContact CE1-CE2 3.78Å; F248-Y258 HydrophobicContact CE1-CG 4.23Å; F248-Y258 AromaticContact CE2-CD2 3.91Å; F248-Y258 HydrophobicContact CE2-CD2 3.91Å; F248-Y258 HydrophobicContact CE2-CG 4.5Å; F248-Y258 AromaticContact CG-CD2 3.73Å; F248-Y258 HydrophobicContact CG-CD2 3.73Å; F248-Y258 HydrophobicContact CG-CE2 4.17Å; F248-Y258 AromaticContact CZ-CD2 3.52Å; F248-Y258 HydrophobicContact CZ-CD2 3.52Å; F248-Y258 HydrophobicContact CZ-CE2 4.47Å; F248-Y258 HydrophobicContact CZ-CG 4.14Å
249	L	87.3	Confident	89.3	Confident	35 Å²	35	30.5 Å²	30.5	18%	0.183	15%	0.147	C	C	.	.	H	α-helix	trans	-63.2	-36.1	178	-70.3	174.1	0	0	0	112.8	Q245 V247 W251 G579 L580 L592	Q245-L249 HydrophobicContact CG-CD1 4.31Å; Q245-L249 VanDerWaalsContact O-CG 3.29Å; Q245-L249 WeakPolarHBondContact O-CG 3.23Å; Q245-L249 PolarHBondContact O-N 2.81Å; V247-L249 VanDerWaalsContact C-N 3.34Å; V247-L249 PolarHBondContact O-N 2.75Å; L249-W251 VanDerWaalsContact C-N 3.29Å; L249-W251 PolarHBondContact O-N 3.02Å; L249-G579 WeakPolarHBondContact CD2-O 3.18Å; L249-L580 HydrophobicContact CD1-CD2 3.92Å; L249-L580 HydrophobicContact CD2-CD2 3.65Å; L249-L580 HydrophobicContact CD2-CG 4.24Å; L249-L580 HydrophobicContact CG-CD2 4.42Å; L249-L592 HydrophobicContact CD1-CD1 3.8Å; L249-L592 HydrophobicContact CD1-CD2 4.07Å
250	K	86.7	Confident	89.2	Confident	80 Å²	80	29.2 Å²	29.2	35%	0.348	14%	0.143	S	C	.	.	H	α-helix	trans	-63.6	-35.8	172.9	179.4	-176.6	173.5	-172.1	0	111.7	K150 D236 L246 V247 F248	K150-K250 PolarHBondContact O-NZ 3.32Å; D236-K250 IonicContact OD2-NZ 3.23Å; D236-K250 PolarHBondContact OD2-NZ 3.24Å; L246-K250 PolarHBondContact O-N 2.89Å; L246-K250 VanDerWaalsContact O-N 3.16Å; V247-K250 WeakPolarHBondContact O-CB 3.15Å; V247-K250 PolarHBondContact O-N 3.38Å; F248-K250 VanDerWaalsContact C-N 3.32Å; F248-K250 PolarHBondContact O-N 2.95Å
251	W	89	Confident	89.1	Confident	6 Å²	6	29.2 Å²	29.2	2%	0.023	14%	0.143	C	C	.	.	H	α-helix	trans	-112.1	11.5	-170.8	-68.7	98.8	0	0	0	114.5	F146 S148 G152 F155 V247 F248 L249 E253 K254 L255	F146-W251 AromaticContact CE1-CD1 3.91Å; F146-W251 HydrophobicContact CE1-CG 4.27Å; F146-W251 AromaticContact CE1-NE1 3.98Å; F146-W251 HydrophobicContact CE2-CD2 4.21Å; F146-W251 HydrophobicContact CE2-CE3 4.34Å; F146-W251 HydrophobicContact CE2-CG 4.34Å; F146-W251 HydrophobicContact CZ-CB 4.26Å; F146-W251 AromaticContact CZ-CD1 3.61Å; F146-W251 AromaticContact CZ-CD2 3.55Å; F146-W251 HydrophobicContact CZ-CD2 3.55Å; F146-W251 AromaticContact CZ-CE2 3.66Å; F146-W251 HydrophobicContact CZ-CE3 4.1Å; F146-W251 AromaticContact CZ-CG 3.57Å; F146-W251 HydrophobicContact CZ-CG 3.57Å; F146-W251 HydrophobicContact CZ-CZ2 4.31Å; F146-W251 AromaticContact CZ-NE1 3.63Å; S148-W251 WeakPolarHBondContact OG-CZ2 3.27Å; G152-W251 VanDerWaalsContact C-CH2 3.46Å; F155-W251 HydrophobicContact CB-CE3 4.4Å; F155-W251 HydrophobicContact CB-CH2 3.88Å; F155-W251 HydrophobicContact CB-CZ3 3.65Å; F155-W251 HydrophobicContact CD1-CE3 4.38Å; F155-W251 AromaticContact CD1-CZ3 3.69Å; F155-W251 HydrophobicContact CD1-CZ3 3.69Å; F155-W251 HydrophobicContact CG-CE3 4.26Å; F155-W251 HydrophobicContact CG-CH2 4.44Å; F155-W251 AromaticContact CG-CZ3 3.72Å; F155-W251 HydrophobicContact CG-CZ3 3.72Å; V247-W251 VanDerWaalsContact O-CD1 3.3Å; V247-W251 PolarHBondContact O-N 2.83Å; F248-W251 CarbonylContact O-C 3.59Å; F248-W251 PolarHBondContact O-N 3.01Å; F248-W251 VanDerWaalsContact O-N 3.08Å; L249-W251 VanDerWaalsContact C-N 3.29Å; L249-W251 PolarHBondContact O-N 3.02Å; W251-E253 PolarHBondContact O-N 3.22Å; W251-E253 VanDerWaalsContact O-N 3.09Å; W251-K254 HydrophobicContact CE3-CB 4.24Å; W251-K254 HydrophobicContact CE3-CD 3.54Å; W251-K254 HydrophobicContact CE3-CG 4.47Å; W251-K254 HydrophobicContact CZ3-CD 3.53Å; W251-K254 PolarHBondContact O-N 2.76Å; W251-L255 HydrophobicContact CB-CD1 3.77Å; W251-L255 HydrophobicContact CB-CG 4.09Å; W251-L255 PolarHBondContact O-N 3.02Å
252	R	86.4	Confident	88.9	Confident	13 Å²	13	29.7 Å²	29.7	5%	0.049	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-37.2	-172.6	172.3	68	-171	79.9	-2.4	112.8	F248 K254 L255 E430 Y576 N578	F248-R252 VanDerWaalsContact CE1-CD 3.4Å; F248-R252 HydrophobicContact CE1-CG 4.49Å; F248-R252 HydrophobicContact CZ-CG 4.46Å; F248-R252 VanDerWaalsContact O-CA 3.29Å; F248-R252 WeakPolarHBondContact O-CA 3.47Å; F248-R252 WeakPolarHBondContact O-CB 3.16Å; F248-R252 PolarHBondContact O-N 2.77Å; R252-K254 PolarHBondContact O-N 3.06Å; R252-L255 PolarHBondContact NH1-O 2.99Å; R252-E430 IonicContact CZ-OE2 3.79Å; R252-E430 IonicContact NH2-OE2 2.74Å; R252-E430 PolarHBondContact NH2-OE2 2.85Å; R252-Y576 PolarHBondContact NE-OH 2.94Å; R252-N578 HydrophobicContact CG-CB 4.29Å; R252-N578 WeakPolarHBondContact CG-O 3.34Å
253	E	80.7	Confident	88.9	Confident	69 Å²	69	30 Å²	30	32%	0.322	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-23.5	-178.2	-60.9	177.4	-167.5	0	0	113.2	W251 T426	W251-E253 PolarHBondContact O-N 3.22Å; W251-E253 VanDerWaalsContact O-N 3.09Å; E253-T426 VanDerWaalsContact CD-CA 3.46Å; E253-T426 VanDerWaalsContact CD-CG2 3.42Å; E253-T426 HydrophobicContact CG-CG2 3.7Å; E253-T426 WeakPolarHBondContact OE1-CG2 3.29Å; E253-T426 WeakPolarHBondContact OE2-CA 3.36Å
254	K	86.3	Confident	89	Confident	39 Å²	39	29.3 Å²	29.3	17%	0.17	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-24.9	-173.3	-75.3	174.6	161.5	-167.5	0	112.3	G152 V153 F155 D170 W251 R252	G152-K254 PolarHBondContact O-NZ 3.5Å; V153-K254 PolarHBondContact O-NZ 2.89Å; F155-K254 HydrophobicContact CD1-CD 3.77Å; F155-K254 HydrophobicContact CE1-CB 3.94Å; F155-K254 HydrophobicContact CE1-CD 3.37Å; F155-K254 HydrophobicContact CE1-CG 3.78Å; F155-K254 HydrophobicContact CE2-CB 4.1Å; F155-K254 HydrophobicContact CZ-CB 3.58Å; F155-K254 HydrophobicContact CZ-CD 3.97Å; F155-K254 HydrophobicContact CZ-CG 3.9Å; D170-K254 IonicContact OD2-NZ 3.65Å; D170-K254 PolarHBondContact OD2-NZ 2.82Å; W251-K254 HydrophobicContact CE3-CB 4.24Å; W251-K254 HydrophobicContact CE3-CD 3.54Å; W251-K254 HydrophobicContact CE3-CG 4.47Å; W251-K254 HydrophobicContact CZ3-CD 3.53Å; W251-K254 PolarHBondContact O-N 2.76Å; R252-K254 PolarHBondContact O-N 3.06Å
255	L	90.1	Very high	89.3	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.137	C	C	.	.			trans	-107.8	142.9	-179.6	-59.1	179.4	0	0	0	111.3	F146 F155 A157 I243 W251 R252	F146-L255 HydrophobicContact CD2-CD1 3.97Å; F146-L255 HydrophobicContact CD2-CD2 3.87Å; F146-L255 HydrophobicContact CD2-CG 4.47Å; F146-L255 HydrophobicContact CE2-CD1 3.96Å; F146-L255 HydrophobicContact CE2-CD2 4.05Å; F146-L255 HydrophobicContact CE2-CG 4.36Å; F146-L255 HydrophobicContact CG-CD1 4.34Å; F146-L255 HydrophobicContact CZ-CD1 4.33Å; F155-L255 HydrophobicContact CE2-CD2 4.36Å; A157-L255 HydrophobicContact CB-CD2 3.59Å; I243-L255 HydrophobicContact CD1-CD1 3.58Å; W251-L255 HydrophobicContact CB-CD1 3.77Å; W251-L255 HydrophobicContact CB-CG 4.09Å; W251-L255 PolarHBondContact O-N 3.02Å; R252-L255 PolarHBondContact NH1-O 2.99Å
256	S	84.2	Confident	89.7	Confident	11 Å²	11	24.6 Å²	24.6	8%	0.077	12%	0.12	C	C	.	.			trans	-107.4	-27.6	177.4	-74.3	0	0	0	0	113.7	E159 R177 Y258 F648	E159-S256 PolarHBondContact OE1-N 2.92Å; R177-S256 VanDerWaalsContact CZ-OG 3.25Å; R177-S256 PolarHBondContact NH1-OG 2.68Å; R177-S256 PolarHBondContact NH2-OG 3.47Å; S256-Y258 PolarHBondContact O-N 2.9Å; S256-F648 VanDerWaalsContact CB-CE1 3.47Å
257	S	86.8	Confident	90.1	Very high	10 Å²	10	21.3 Å²	21.3	7%	0.07	10%	0.103	C	C	.	.			trans	-85.3	111.6	178.9	-63.3	0	0	0	0	110.7	E159	E159-S257 PolarHBondContact OE1-N 2.58Å
258	Y	82	Confident	90.4	Very high	67 Å²	67	20.4 Å²	20.4	26%	0.263	10%	0.098	S	C	.	.	S	Bend	trans	-70.5	-42.4	171.8	179.9	-122.8	0	0	0	112.1	F248 S256 E364	F248-Y258 AromaticContact CD1-CD2 3.37Å; F248-Y258 HydrophobicContact CD1-CD2 3.37Å; F248-Y258 AromaticContact CD1-CE2 3.62Å; F248-Y258 HydrophobicContact CD1-CE2 3.62Å; F248-Y258 AromaticContact CD2-CD2 4Å; F248-Y258 HydrophobicContact CD2-CD2 4Å; F248-Y258 AromaticContact CE1-CD2 3.25Å; F248-Y258 HydrophobicContact CE1-CD2 3.25Å; F248-Y258 AromaticContact CE1-CE2 3.78Å; F248-Y258 HydrophobicContact CE1-CE2 3.78Å; F248-Y258 HydrophobicContact CE1-CG 4.23Å; F248-Y258 AromaticContact CE2-CD2 3.91Å; F248-Y258 HydrophobicContact CE2-CD2 3.91Å; F248-Y258 HydrophobicContact CE2-CG 4.5Å; F248-Y258 AromaticContact CG-CD2 3.73Å; F248-Y258 HydrophobicContact CG-CD2 3.73Å; F248-Y258 HydrophobicContact CG-CE2 4.17Å; F248-Y258 AromaticContact CZ-CD2 3.52Å; F248-Y258 HydrophobicContact CZ-CD2 3.52Å; F248-Y258 HydrophobicContact CZ-CE2 4.47Å; F248-Y258 HydrophobicContact CZ-CG 4.14Å; S256-Y258 PolarHBondContact O-N 2.9Å; Y258-E364 HydrophobicContact CE1-CG 4.03Å; Y258-E364 WeakPolarHBondContact CE1-OE1 3.35Å
259	H	90.7	Very high	90.7	Very high	25 Å²	25	20.7 Å²	20.7	12%	0.116	10%	0.101	C	C	.	.	S	Bend	trans	-93.3	152.3	177.2	-59.8	-78.9	0	0	0	111.5	D115 G142 L143 L353 A362 E364	D115-H259 IonicContact OD1-ND1 2.64Å; D115-H259 PolarHBondContact OD1-ND1 2.99Å; G142-H259 WeakPolarHBondContact CA-O 3.16Å; L143-H259 PolarHBondContact N-O 2.81Å; H259-L353 HydrophobicContact CB-CD1 4.06Å; H259-L353 HydrophobicContact CB-CD2 4.4Å; H259-L353 VanDerWaalsContact CD2-CD1 3.47Å; H259-L353 WeakPolarHBondContact CD2-CD1 3.44Å; H259-L353 VanDerWaalsContact CG-CD1 3.49Å; H259-A362 WeakPolarHBondContact NE2-CB 3.04Å; H259-E364 IonicContact CE1-OE1 2.88Å; H259-E364 IonicContact NE2-OE1 3.87Å; H259-E364 IonicContact NE2-OE2 2.93Å
260	G	94	Very high	91.1	Very high	3 Å²	3	19.8 Å²	19.8	3%	0.031	10%	0.096	C	C	.	.	B	Isolated β-bridge	trans	-79.1	-178.4	175.8	0	0	0	0	0	114.3	S114 Q139 G142 G241	S114-G260 VanDerWaalsContact CB-O 3.29Å; S114-G260 WeakPolarHBondContact CB-O 3.08Å; S114-G260 CarbonylContact O-C 3.58Å; S114-G260 WeakPolarHBondContact O-CA 3.49Å; S114-G260 PolarHBondContact O-N 2.77Å; Q139-G260 PolarHBondContact NE2-O 3.46Å; G142-G260 WeakPolarHBondContact CA-O 3.1Å; G241-G260 CarbonylContact O-C 3.59Å; G241-G260 VanDerWaalsContact O-C 3.29Å; G241-G260 WeakPolarHBondContact O-CA 3.16Å
261	F	95	Very high	91.4	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.101	C	C	.	.			trans	-77	133.8	176.6	170.8	-95.4	0	0	0	112.1	F111 F135 T137 L143 I144 L160 G241 C264 L265	F111-F261 HydrophobicContact CB-CD1 4.43Å; F111-F261 WeakPolarHBondContact CB-O 3.29Å; F111-F261 HydrophobicContact CD2-CD1 4.05Å; F111-F261 HydrophobicContact CD2-CE1 4.37Å; F111-F261 HydrophobicContact CG-CD1 4.49Å; F135-F261 HydrophobicContact CB-CE2 4.33Å; F135-F261 HydrophobicContact CB-CZ 4.11Å; F135-F261 AromaticContact CD2-CE2 3.95Å; F135-F261 HydrophobicContact CD2-CE2 3.95Å; F135-F261 HydrophobicContact CD2-CZ 4.41Å; F135-F261 HydrophobicContact CG-CE2 4.5Å; T137-F261 HydrophobicContact CG2-CD2 4.39Å; T137-F261 HydrophobicContact CG2-CE2 3.65Å; T137-F261 HydrophobicContact CG2-CZ 4.48Å; L143-F261 WeakPolarHBondContact O-CB 3.39Å; L143-F261 PolarHBondContact O-N 2.88Å; I144-F261 HydrophobicContact CD1-CD2 4.36Å; I144-F261 HydrophobicContact CG1-CB 4.24Å; I144-F261 HydrophobicContact CG1-CD2 3.79Å; I144-F261 HydrophobicContact CG1-CE2 4.46Å; I144-F261 HydrophobicContact CG1-CG 4.25Å; L160-F261 HydrophobicContact CD1-CD2 4.06Å; L160-F261 HydrophobicContact CD1-CE2 4.32Å; G241-F261 PolarHBondContact O-N 3.24Å; F261-C264 WeakPolarHBondContact CZ-O 3.46Å; F261-L265 HydrophobicContact CE1-CB 4.42Å
262	Q	94	Very high	91.3	Very high	10 Å²	10	22.7 Å²	22.7	5%	0.047	13%	0.13	C	C	.	.			trans	-109.5	128.2	163.8	-171.3	-74.4	-56.2	0	0	108.1	F111 T137 Q139 Q354	F111-Q262 WeakPolarHBondContact O-CG 3.04Å; F111-Q262 PolarHBondContact O-NE2 3.15Å; F111-Q262 VanDerWaalsContact O-NE2 3.14Å; T137-Q262 WeakPolarHBondContact CB-O 3.07Å; T137-Q262 PolarHBondContact OG1-O 3.4Å; Q139-Q262 VanDerWaalsContact OE1-CB 3.25Å; Q262-Q354 HydrophobicContact CG-CB 4.42Å
263	G	94.8	Very high	91.6	Very high	6 Å²	6	26.5 Å²	26.5	6%	0.062	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	148.4	-161	-179.9	0	0	0	0	0	112.3	T110 F111 R136	T110-G263 CarbonylContact C-O 3.5Å; T110-G263 WeakPolarHBondContact CA-O 3.14Å; F111-G263 PolarHBondContact N-O 3.47Å; F111-G263 PolarHBondContact O-N 3.03Å; F111-G263 VanDerWaalsContact O-N 3.08Å; R136-G263 WeakPolarHBondContact O-CA 2.98Å
264	C	96.6	Very high	92.1	Very high	5 Å²	5	27 Å²	27	3%	0.034	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	141.4	175.3	-55.7	0	0	0	0	111.5	I109 F135 R136 W190 F261 C303	I109-C264 CarbonylContact O-C 3.57Å; I109-C264 VanDerWaalsContact O-CA 3.27Å; I109-C264 WeakPolarHBondContact O-CA 3.2Å; F135-C264 CarbonylContact C-O 3.58Å; F135-C264 WeakPolarHBondContact CA-O 3.33Å; R136-C264 HydrophobicContact CB-CB 4.31Å; R136-C264 PolarHBondContact N-O 3.37Å; R136-C264 PolarHBondContact O-N 3.42Å; W190-C264 HydrophobicContact CH2-CB 3.48Å; W190-C264 VanDerWaalsContact CH2-CB 3.48Å; W190-C264 HydrophobicContact CZ2-CB 4.23Å; W190-C264 HydrophobicContact CZ3-CB 4.02Å; F261-C264 WeakPolarHBondContact CZ-O 3.46Å; C264-C303 HydrophobicContact CB-CB 3.61Å; C264-C303 WeakPolarHBondContact CB-SG 3.49Å; C264-C303 WeakPolarHBondContact SG-CA 3.48Å; C264-C303 WeakPolarHBondContact SG-CB 3.22Å; C264-C303 CovalentContact SG-SG 2.04Å; C264-C303 PolarHBondContact SG-SG 2.82Å
265	L	97.3	Very high	92.5	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	144.1	172.9	-174	146.4	0	0	0	109.2	F108 I109 T134 I144 I240 F261 L278	F108-L265 CarbonylContact C-O 3.23Å; F108-L265 WeakPolarHBondContact CA-O 3.45Å; I109-L265 HydrophobicContact CD1-CD2 4.34Å; I109-L265 HydrophobicContact CG1-CB 4.17Å; I109-L265 HydrophobicContact CG1-CD2 4.45Å; I109-L265 WeakPolarHBondContact CG1-O 3.41Å; I109-L265 PolarHBondContact N-O 2.78Å; I109-L265 PolarHBondContact O-N 2.91Å; T134-L265 CarbonylContact O-C 3.54Å; T134-L265 WeakPolarHBondContact O-CA 3.25Å; I144-L265 HydrophobicContact CG2-CD1 3.62Å; I240-L265 HydrophobicContact CG2-CD1 3.85Å; I240-L265 HydrophobicContact CG2-CD2 4.07Å; F261-L265 HydrophobicContact CE1-CB 4.42Å; L265-L278 HydrophobicContact CD2-CD1 3.49Å; L265-L278 VanDerWaalsContact CD2-CD1 3.49Å
266	G	95.5	Very high	92.6	Very high	1 Å²	1	30 Å²	30	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.9	-169.9	176.3	0	0	0	0	0	112.3	N107 T134 F268	N107-G266 WeakPolarHBondContact O-CA 3.47Å; T134-G266 PolarHBondContact N-O 2.81Å; T134-G266 PolarHBondContact O-N 3.49Å; T134-G266 PolarHBondContact OG1-O 2.9Å; G266-F268 PolarHBondContact O-N 3.34Å
267	N	94.6	Very high	93.1	Very high	41 Å²	41	31.7 Å²	31.7	22%	0.219	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	52.8	23.8	-178.1	-70.2	-43.8	0	0	0	114.7	I106 T134 S269	I106-N267 WeakPolarHBondContact CG2-OD1 3.39Å; T134-N267 HydrophobicContact CG2-CB 3.97Å; T134-N267 WeakPolarHBondContact OG1-CB 3.4Å; T134-N267 PolarHBondContact OG1-ND2 2.79Å; T134-N267 VanDerWaalsContact OG1-ND2 3.13Å; N267-S269 PolarHBondContact O-N 3.4Å; N267-S269 PolarHBondContact O-OG 3.4Å
268	F	96.6	Very high	93.5	Very high	3 Å²	3	31.4 Å²	31.4	1%	0.013	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	115.9	-178.2	-177.1	-88.3	0	0	0	109.9	M123 L131 K132 F133 L145 L238 G266 I270 P275 F276 L278	M123-F268 HydrophobicContact CG-CZ 4.33Å; M123-F268 HydrophobicContact SD-CE2 4.32Å; M123-F268 HydrophobicContact SD-CZ 3.66Å; L131-F268 HydrophobicContact CD1-CD2 4.46Å; L131-F268 HydrophobicContact CD1-CE2 3.62Å; L131-F268 HydrophobicContact CD1-CZ 3.76Å; K132-F268 CarbonylContact O-C 3.57Å; K132-F268 VanDerWaalsContact O-CA 3.26Å; K132-F268 WeakPolarHBondContact O-CA 3.35Å; F133-F268 HydrophobicContact CB-CB 4.37Å; F133-F268 HydrophobicContact CB-CD2 3.97Å; L145-F268 HydrophobicContact CD1-CD2 4.13Å; L145-F268 HydrophobicContact CD1-CE2 3.39Å; L145-F268 HydrophobicContact CD1-CZ 4.22Å; L238-F268 HydrophobicContact CD2-CE1 4.1Å; L238-F268 HydrophobicContact CD2-CZ 3.77Å; G266-F268 PolarHBondContact O-N 3.34Å; F268-I270 HydrophobicContact CE1-CD1 4.14Å; F268-I270 HydrophobicContact CE1-CG1 4.24Å; F268-I270 HydrophobicContact CZ-CD1 4.22Å; F268-I270 HydrophobicContact CZ-CG1 4.36Å; F268-P275 CarbonylContact O-C 3.54Å; F268-P275 VanDerWaalsContact O-CA 3.31Å; F268-P275 WeakPolarHBondContact O-CA 3.35Å; F268-F276 HydrophobicContact CD1-CB 4.42Å; F268-F276 AromaticContact CD1-CD2 3.75Å; F268-F276 HydrophobicContact CD1-CD2 3.75Å; F268-F276 AromaticContact CE1-CD2 3.87Å; F268-F276 HydrophobicContact CE1-CD2 3.87Å; F268-F276 HydrophobicContact CE1-CE2 4.41Å; F268-F276 PolarHBondContact O-N 3.32Å; F268-L278 HydrophobicContact CB-CD1 3.65Å; F268-L278 HydrophobicContact CB-CD2 4.43Å; F268-L278 HydrophobicContact CB-CG 4.1Å; F268-L278 HydrophobicContact CD1-CD1 4.36Å; F268-L278 HydrophobicContact CD1-CD2 3.71Å; F268-L278 HydrophobicContact CD1-CG 4.28Å; F268-L278 HydrophobicContact CD2-CD1 4.44Å; F268-L278 HydrophobicContact CE1-CD2 4.2Å; F268-L278 HydrophobicContact CG-CD1 3.9Å; F268-L278 HydrophobicContact CG-CD2 4.1Å; F268-L278 HydrophobicContact CG-CG 4.29Å
269	S	95.6	Very high	94.1	Very high	10 Å²	10	28.3 Å²	28.3	7%	0.07	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	151.9	-177.9	53	0	0	0	0	111.9	K132 N267 L273	K132-S269 WeakPolarHBondContact CB-OG 3.34Å; K132-S269 PolarHBondContact N-O 3.04Å; K132-S269 PolarHBondContact O-N 3.43Å; N267-S269 PolarHBondContact O-N 3.4Å; N267-S269 PolarHBondContact O-OG 3.4Å; S269-L273 WeakPolarHBondContact CB-O 3.29Å
270	I	95.5	Very high	94.2	Very high	16 Å²	16	30.8 Å²	30.8	8%	0.082	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	132.5	178.6	-59.5	174.2	0	0	0	108	M123 L125 R130 L131 F268 G272 L273 F276	M123-I270 HydrophobicContact CB-CD1 3.87Å; M123-I270 HydrophobicContact CG-CD1 3.67Å; M123-I270 HydrophobicContact SD-CD1 3.99Å; L125-I270 HydrophobicContact CD2-CD1 4.48Å; L125-I270 HydrophobicContact CD2-CG2 3.75Å; R130-I270 CarbonylContact O-C 3.56Å; R130-I270 WeakPolarHBondContact O-CA 3.28Å; L131-I270 HydrophobicContact CD1-CG1 3.93Å; F268-I270 HydrophobicContact CE1-CD1 4.14Å; F268-I270 HydrophobicContact CE1-CG1 4.24Å; F268-I270 HydrophobicContact CZ-CD1 4.22Å; F268-I270 HydrophobicContact CZ-CG1 4.36Å; I270-G272 VanDerWaalsContact C-N 3.26Å; I270-G272 PolarHBondContact O-N 2.75Å; I270-L273 VanDerWaalsContact O-CB 3.27Å; I270-L273 WeakPolarHBondContact O-CB 2.98Å; I270-L273 VanDerWaalsContact O-CG 3.28Å; I270-L273 WeakPolarHBondContact O-CG 3.26Å; I270-L273 PolarHBondContact O-N 2.97Å; I270-L273 VanDerWaalsContact O-N 3.08Å; I270-F276 HydrophobicContact CB-CE2 4.31Å; I270-F276 HydrophobicContact CD1-CE2 4.25Å; I270-F276 HydrophobicContact CG1-CE2 4.2Å
271	N	93.7	Very high	94.2	Very high	84 Å²	84	33.4 Å²	33.4	45%	0.449	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	34.4	173.5	-59.5	-14.2	0	0	0	114.5	F129 R130 L273	F129-N271 WeakPolarHBondContact CA-OD1 3.43Å; F129-N271 WeakPolarHBondContact CB-OD1 3.5Å; R130-N271 PolarHBondContact N-OD1 2.98Å; R130-N271 PolarHBondContact O-N 3.39Å; N271-L273 PolarHBondContact O-N 3.08Å
272	G	86.8	Confident	94.2	Very high	62 Å²	62	33.4 Å²	33.4	64%	0.639	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.8	5.1	178.8	0	0	0	0	0	114.6	I270	I270-G272 VanDerWaalsContact C-N 3.26Å; I270-G272 PolarHBondContact O-N 2.75Å
273	L	92.4	Very high	94.2	Very high	93 Å²	93	37 Å²	37	49%	0.487	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-58.9	151.6	169.2	-66	173.2	0	0	0	110.3	S269 I270 N271 F276	S269-L273 WeakPolarHBondContact CB-O 3.29Å; I270-L273 VanDerWaalsContact O-CB 3.27Å; I270-L273 WeakPolarHBondContact O-CB 2.98Å; I270-L273 VanDerWaalsContact O-CG 3.28Å; I270-L273 WeakPolarHBondContact O-CG 3.26Å; I270-L273 PolarHBondContact O-N 2.97Å; I270-L273 VanDerWaalsContact O-N 3.08Å; N271-L273 PolarHBondContact O-N 3.08Å; L273-F276 HydrophobicContact CB-CE1 4.33Å; L273-F276 HydrophobicContact CB-CZ 4.2Å; L273-F276 HydrophobicContact CD1-CE1 4.24Å; L273-F276 HydrophobicContact CD1-CZ 3.74Å
274	P	92.2	Very high	94.1	Very high	80 Å²	80	43 Å²	43	52%	0.519	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-52.7	145.9	172.2	-24.4	34.1	0	0	0	111.3	F276	P274-F276 PolarHBondContact O-N 2.89Å
275	P	93.6	Very high	93.9	Very high	46 Å²	46	48.2 Å²	48.2	30%	0.299	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-50	129.3	176.1	-30.5	37	0	0	0	112.9	F268	F268-P275 CarbonylContact O-C 3.54Å; F268-P275 VanDerWaalsContact O-CA 3.31Å; F268-P275 WeakPolarHBondContact O-CA 3.35Å
276	F	93	Very high	93.6	Very high	55 Å²	55	50.4 Å²	50.4	24%	0.241	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-75.3	139.6	179.5	-61.5	-46.3	0	0	0	111.1	F268 I270 L273 P274 L278 M281	F268-F276 HydrophobicContact CD1-CB 4.42Å; F268-F276 AromaticContact CD1-CD2 3.75Å; F268-F276 HydrophobicContact CD1-CD2 3.75Å; F268-F276 AromaticContact CE1-CD2 3.87Å; F268-F276 HydrophobicContact CE1-CD2 3.87Å; F268-F276 HydrophobicContact CE1-CE2 4.41Å; F268-F276 PolarHBondContact O-N 3.32Å; I270-F276 HydrophobicContact CB-CE2 4.31Å; I270-F276 HydrophobicContact CD1-CE2 4.25Å; I270-F276 HydrophobicContact CG1-CE2 4.2Å; L273-F276 HydrophobicContact CB-CE1 4.33Å; L273-F276 HydrophobicContact CB-CZ 4.2Å; L273-F276 HydrophobicContact CD1-CE1 4.24Å; L273-F276 HydrophobicContact CD1-CZ 3.74Å; P274-F276 PolarHBondContact O-N 2.89Å; F276-L278 VanDerWaalsContact C-N 3.35Å; F276-L278 PolarHBondContact O-N 2.02Å; F276-L278 VanDerWaalsContact O-N 3.07Å; F276-M281 HydrophobicContact CB-CE 3.8Å; F276-M281 HydrophobicContact CD1-CE 3.85Å; F276-M281 HydrophobicContact CD2-CE 4.44Å; F276-M281 HydrophobicContact CG-CE 3.79Å
277	D	94.1	Very high	93	Very high	47 Å²	47	54.1 Å²	54.1	25%	0.251	31%	0.305	S	S	.	.			trans	-74.9	87.3	164.2	-168.1	-23.9	0	0	0	109.7	N107 L279 N280 M281	N107-D277 HydrophobicContact CB-CB 4.33Å; N107-D277 WeakPolarHBondContact ND2-CA 3.35Å; N107-D277 WeakPolarHBondContact ND2-CB 3.5Å; D277-L279 VanDerWaalsContact C-N 3.27Å; D277-L279 PolarHBondContact O-N 2.76Å; D277-L279 PolarHBondContact OD1-N 3.28Å; D277-N280 HydrophobicContact CB-CB 3.99Å; D277-N280 PolarHBondContact O-N 3.5Å; D277-N280 WeakPolarHBondContact OD1-CB 3.38Å; D277-N280 PolarHBondContact OD1-N 2.03Å; D277-N280 WeakPolarHBondContact OD2-CB 2.98Å; D277-M281 WeakPolarHBondContact O-CB 3.48Å; D277-M281 PolarHBondContact O-N 2.6Å
278	L	94.8	Very high	92.6	Very high	5 Å²	5	57 Å²	57	3%	0.026	32%	0.315	C	S	.	.	H	α-helix	trans	-61.2	-32.8	-176.5	-70.9	174.5	0	0	0	113.3	I109 L118 N120 I240 L265 F268 F276 A282	I109-L278 HydrophobicContact CD1-CB 4.28Å; I109-L278 HydrophobicContact CD1-CD1 4.32Å; L118-L278 HydrophobicContact CD1-CB 4.41Å; N120-L278 PolarHBondContact ND2-O 2.87Å; N120-L278 PolarHBondContact OD1-O 3.35Å; N120-L278 VanDerWaalsContact OD1-O 3.08Å; I240-L278 HydrophobicContact CD1-CD1 4.33Å; I240-L278 HydrophobicContact CG1-CD1 4.18Å; I240-L278 HydrophobicContact CG1-CD2 4.44Å; I240-L278 HydrophobicContact CG2-CD1 4.31Å; L265-L278 HydrophobicContact CD2-CD1 3.49Å; L265-L278 VanDerWaalsContact CD2-CD1 3.49Å; F268-L278 HydrophobicContact CB-CD1 3.65Å; F268-L278 HydrophobicContact CB-CD2 4.43Å; F268-L278 HydrophobicContact CB-CG 4.1Å; F268-L278 HydrophobicContact CD1-CD1 4.36Å; F268-L278 HydrophobicContact CD1-CD2 3.71Å; F268-L278 HydrophobicContact CD1-CG 4.28Å; F268-L278 HydrophobicContact CD2-CD1 4.44Å; F268-L278 HydrophobicContact CE1-CD2 4.2Å; F268-L278 HydrophobicContact CG-CD1 3.9Å; F268-L278 HydrophobicContact CG-CD2 4.1Å; F268-L278 HydrophobicContact CG-CG 4.29Å; F276-L278 VanDerWaalsContact C-N 3.35Å; F276-L278 PolarHBondContact O-N 2.02Å; F276-L278 VanDerWaalsContact O-N 3.07Å; L278-A282 VanDerWaalsContact O-CB 3.26Å; L278-A282 WeakPolarHBondContact O-CB 3.28Å; L278-A282 PolarHBondContact O-N 2.64Å; L278-A282 VanDerWaalsContact O-N 3.13Å
279	L	94.8	Very high	92.3	Very high	2 Å²	2	62.6 Å²	62.6	1%	0.01	35%	0.345	C	S	.	.	H	α-helix	trans	-75.1	-48.1	-178.9	-175.9	61.2	0	0	0	110.7	I109 L118 D277 A282 K283 W290 I299 D301	I109-L279 HydrophobicContact CG2-CB 3.94Å; L118-L279 HydrophobicContact CD1-CD1 4.31Å; L118-L279 HydrophobicContact CD2-CD1 3.71Å; D277-L279 VanDerWaalsContact C-N 3.27Å; D277-L279 PolarHBondContact O-N 2.76Å; D277-L279 PolarHBondContact OD1-N 3.28Å; L279-A282 PolarHBondContact O-N 2.87Å; L279-K283 HydrophobicContact CD1-CD 4.46Å; L279-K283 HydrophobicContact CG-CD 4.23Å; L279-K283 WeakPolarHBondContact O-CG 3.47Å; L279-K283 PolarHBondContact O-N 3.41Å; L279-W290 HydrophobicContact CD1-CE3 4.15Å; L279-W290 HydrophobicContact CD1-CH2 4.17Å; L279-W290 HydrophobicContact CD1-CZ3 3.59Å; L279-I299 HydrophobicContact CD1-CG2 4.13Å; L279-D301 WeakPolarHBondContact CD2-OD1 3.24Å
280	N	93.5	Very high	92.2	Very high	76 Å²	76	63 Å²	63	41%	0.406	35%	0.345	S	S	.	.	H	α-helix	trans	-65.5	-42	178.4	-170.8	30.6	0	0	0	111.2	D277 A282 K283 L284	D277-N280 HydrophobicContact CB-CB 3.99Å; D277-N280 PolarHBondContact O-N 3.5Å; D277-N280 WeakPolarHBondContact OD1-CB 3.38Å; D277-N280 PolarHBondContact OD1-N 2.03Å; D277-N280 WeakPolarHBondContact OD2-CB 2.98Å; N280-A282 VanDerWaalsContact C-N 3.34Å; N280-A282 PolarHBondContact O-N 3.25Å; N280-K283 PolarHBondContact O-N 3.29Å; N280-L284 WeakPolarHBondContact O-CB 3.24Å; N280-L284 VanDerWaalsContact O-CG 3.27Å; N280-L284 WeakPolarHBondContact O-CG 2.93Å; N280-L284 PolarHBondContact O-N 3.49Å
281	M	93.4	Very high	92.2	Very high	59 Å²	59	62.5 Å²	62.5	29%	0.291	34%	0.343	S	S	.	.	H	α-helix	trans	-58.1	-44.5	175.9	-176.4	179.9	-71.1	0	0	112	P121 F276 D277 K285	P121-M281 HydrophobicContact CG-CG 3.7Å; P121-M281 HydrophobicContact CG-SD 3.63Å; F276-M281 HydrophobicContact CB-CE 3.8Å; F276-M281 HydrophobicContact CD1-CE 3.85Å; F276-M281 HydrophobicContact CD2-CE 4.44Å; F276-M281 HydrophobicContact CG-CE 3.79Å; D277-M281 WeakPolarHBondContact O-CB 3.48Å; D277-M281 PolarHBondContact O-N 2.6Å; M281-K285 WeakPolarHBondContact O-CB 3.48Å; M281-K285 PolarHBondContact O-N 3.02Å; M281-K285 VanDerWaalsContact O-N 3.08Å
282	A	95.2	Very high	92.2	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-62.6	-48.1	175.9	0	0	0	0	0	111.9	L118 H119 N120 L278 L279 N280 K285 Y286 W290	L118-A282 HydrophobicContact CB-CB 4.46Å; L118-A282 HydrophobicContact CD2-CB 4.36Å; H119-A282 WeakPolarHBondContact O-CA 3.2Å; H119-A282 VanDerWaalsContact O-CB 3.22Å; H119-A282 WeakPolarHBondContact O-CB 3.03Å; N120-A282 PolarHBondContact OD1-N 3.16Å; L278-A282 VanDerWaalsContact O-CB 3.26Å; L278-A282 WeakPolarHBondContact O-CB 3.28Å; L278-A282 PolarHBondContact O-N 2.64Å; L278-A282 VanDerWaalsContact O-N 3.13Å; L279-A282 PolarHBondContact O-N 2.87Å; N280-A282 VanDerWaalsContact C-N 3.34Å; N280-A282 PolarHBondContact O-N 3.25Å; A282-K285 PolarHBondContact O-N 2.86Å; A282-Y286 WeakPolarHBondContact O-CB 3.45Å; A282-Y286 PolarHBondContact O-N 3.12Å; A282-W290 HydrophobicContact CB-CB 4.08Å; A282-W290 WeakPolarHBondContact O-CB 3.26Å
283	K	94.2	Very high	92.5	Very high	85 Å²	85	62.9 Å²	62.9	37%	0.37	34%	0.335	S	S	.	.	H	α-helix	trans	-61.9	-43.8	179.6	-74.6	173.8	178	171.8	0	112.5	L279 N280 A287 W290	L279-K283 HydrophobicContact CD1-CD 4.46Å; L279-K283 HydrophobicContact CG-CD 4.23Å; L279-K283 WeakPolarHBondContact O-CG 3.47Å; L279-K283 PolarHBondContact O-N 3.41Å; N280-K283 PolarHBondContact O-N 3.29Å; K283-A287 WeakPolarHBondContact O-CA 3.45Å; K283-A287 PolarHBondContact O-N 3.41Å; K283-W290 HydrophobicContact CG-CD2 4Å; K283-W290 HydrophobicContact CG-CE3 4.43Å; K283-W290 HydrophobicContact CG-CG 4.22Å; K283-W290 HydrophobicContact CG-CZ2 4.42Å
284	L	93.1	Very high	92.5	Very high	131 Å²	131	63.9 Å²	63.9	69%	0.686	35%	0.345	S	S	*	.	H	α-helix	trans	-66.4	-44	179.9	-72.4	172	0	0	0	111.9	N280	N280-L284 WeakPolarHBondContact O-CB 3.24Å; N280-L284 VanDerWaalsContact O-CG 3.27Å; N280-L284 WeakPolarHBondContact O-CG 2.93Å; N280-L284 PolarHBondContact O-N 3.49Å
285	K	92.1	Very high	92.6	Very high	115 Å²	115	60.1 Å²	60.1	50%	0.5	32%	0.321	S	S	.	.	H	α-helix	trans	-78.5	-35.3	-177.9	-174.1	168.1	179.9	179.6	0	113.3	P121 M281 A282	P121-K285 HydrophobicContact CB-CD 4.04Å; P121-K285 HydrophobicContact CG-CD 3.56Å; M281-K285 WeakPolarHBondContact O-CB 3.48Å; M281-K285 PolarHBondContact O-N 3.02Å; M281-K285 VanDerWaalsContact O-N 3.08Å; A282-K285 PolarHBondContact O-N 2.86Å
286	Y	91	Very high	92.6	Very high	48 Å²	48	63.2 Å²	63.2	19%	0.188	33%	0.326	C	S	.	.			trans	-126.6	60	-171.9	-56.9	-78	0	0	0	111.8	H119 A282 K288 N289 W290	H119-Y286 HydrophobicContact CB-CD2 4.29Å; H119-Y286 AromaticContact CE1-CD1 3.59Å; H119-Y286 AromaticContact CE1-CE1 3.34Å; H119-Y286 WeakPolarHBondContact CE1-CE1 3.37Å; H119-Y286 AromaticContact CE1-CZ 3.68Å; H119-Y286 AromaticContact ND1-CD1 3.3Å; H119-Y286 VanDerWaalsContact ND1-CD1 3.3Å; H119-Y286 WeakPolarHBondContact ND1-CD1 3.12Å; H119-Y286 AromaticContact ND1-CD2 3.61Å; H119-Y286 AromaticContact ND1-CE1 3.45Å; H119-Y286 WeakPolarHBondContact ND1-CE1 3.27Å; H119-Y286 AromaticContact ND1-CE2 3.75Å; H119-Y286 AromaticContact ND1-CG 3.37Å; H119-Y286 AromaticContact ND1-CZ 3.68Å; H119-Y286 WeakPolarHBondContact O-CD2 3.38Å; H119-Y286 WeakPolarHBondContact O-CE2 3.47Å; A282-Y286 WeakPolarHBondContact O-CB 3.45Å; A282-Y286 PolarHBondContact O-N 3.12Å; Y286-K288 PolarHBondContact O-N 2.76Å; Y286-N289 PolarHBondContact O-N 3.37Å; Y286-N289 VanDerWaalsContact O-N 3.1Å; Y286-W290 WeakPolarHBondContact O-CB 3.5Å; Y286-W290 PolarHBondContact O-N 3.2Å
287	A	83.2	Confident	92.6	Very high	79 Å²	79	66.5 Å²	66.5	65%	0.653	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-39.8	-41.4	-171.5	0	0	0	0	0	116.2	K283	K283-A287 WeakPolarHBondContact O-CA 3.45Å; K283-A287 PolarHBondContact O-N 3.41Å
288	K	85.9	Confident	92.5	Very high	100 Å²	100	67.1 Å²	67.1	44%	0.435	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-29.6	-178.4	-68.9	178.5	178	168.8	0	115.2	T33 Y286 R296	T33-K288 PolarHBondContact O-NZ 3.03Å; T33-K288 PolarHBondContact OG1-NZ 2.96Å; Y286-K288 PolarHBondContact O-N 2.76Å; K288-R296 PolarHBondContact O-NH2 3.48Å
289	N	90.7	Very high	92.5	Very high	122 Å²	122	67 Å²	67	65%	0.652	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.9	26.1	-168.7	-64.1	-9.5	0	0	0	112.5	Y286 T291	Y286-N289 PolarHBondContact O-N 3.37Å; Y286-N289 VanDerWaalsContact O-N 3.1Å; N289-T291 PolarHBondContact O-N 3.11Å
290	W	93.8	Very high	92.5	Very high	17 Å²	17	68.3 Å²	68.3	6%	0.064	36%	0.356	C	S	.	.	S	Bend	trans	-67	-21.1	175.4	63	-92	0	0	0	112.7	L118 H119 L279 A282 K283 Y286 R296 I299	L118-W290 WeakPolarHBondContact CA-O 3.36Å; L118-W290 HydrophobicContact CD2-CE3 3.46Å; L118-W290 VanDerWaalsContact CD2-CE3 3.46Å; L118-W290 HydrophobicContact CD2-CZ3 3.52Å; H119-W290 WeakPolarHBondContact CB-O 3.4Å; H119-W290 PolarHBondContact N-O 3.28Å; L279-W290 HydrophobicContact CD1-CE3 4.15Å; L279-W290 HydrophobicContact CD1-CH2 4.17Å; L279-W290 HydrophobicContact CD1-CZ3 3.59Å; A282-W290 HydrophobicContact CB-CB 4.08Å; A282-W290 WeakPolarHBondContact O-CB 3.26Å; K283-W290 HydrophobicContact CG-CD2 4Å; K283-W290 HydrophobicContact CG-CE3 4.43Å; K283-W290 HydrophobicContact CG-CG 4.22Å; K283-W290 HydrophobicContact CG-CZ2 4.42Å; Y286-W290 WeakPolarHBondContact O-CB 3.5Å; Y286-W290 PolarHBondContact O-N 3.2Å; W290-R296 HydrophobicContact CH2-CB 4.3Å; W290-R296 HydrophobicContact CH2-CG 4.28Å; W290-R296 HydrophobicContact CZ2-CB 4Å; W290-R296 HydrophobicContact CZ2-CG 3.68Å; W290-I299 HydrophobicContact CZ3-CD1 4.24Å
291	T	95.6	Very high	92.5	Very high	6 Å²	6	68.4 Å²	68.4	4%	0.037	36%	0.356	C	S	.	.	S	Bend	trans	-159.9	179.8	173.2	-167.5	0	0	0	0	110.3	Y117 N289 C295 R296 I299	Y117-T291 WeakPolarHBondContact O-CB 2.98Å; Y117-T291 PolarHBondContact O-OG1 2.04Å; N289-T291 PolarHBondContact O-N 3.11Å; T291-C295 HydrophobicContact CG2-CB 4.08Å; T291-C295 WeakPolarHBondContact OG1-CB 3.45Å; T291-R296 HydrophobicContact CG2-CG 4.01Å; T291-I299 HydrophobicContact CG2-CD1 4.42Å; T291-I299 WeakPolarHBondContact OG1-CD1 3.28Å
292	L	93.2	Very high	92.4	Very high	59 Å²	59	70.5 Å²	70.5	31%	0.309	37%	0.369	S	S	.	.			trans	-67	142.9	170.2	-64.8	173.7	0	0	0	111	Y117 V294 C295	Y117-L292 HydrophobicContact CD1-CG 4.47Å; Y117-L292 HydrophobicContact CE1-CD1 3.87Å; Y117-L292 HydrophobicContact CE1-CD2 4.06Å; Y117-L292 HydrophobicContact CE1-CG 3.6Å; Y117-L292 WeakPolarHBondContact OH-CD2 3.33Å; L292-V294 VanDerWaalsContact C-N 3.26Å; L292-V294 HydrophobicContact CB-CG2 4.13Å; L292-V294 PolarHBondContact O-N 3.46Å; L292-V294 VanDerWaalsContact O-N 3.14Å; L292-C295 HydrophobicContact CB-CB 4.14Å; L292-C295 WeakPolarHBondContact O-CA 3.38Å; L292-C295 WeakPolarHBondContact O-CB 3.44Å; L292-C295 PolarHBondContact O-N 3.02Å
293	P	93	Very high	92.3	Very high	95 Å²	95	72 Å²	72	62%	0.617	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-51.5	-41.3	179.2	-29.4	35.9	0	0	0	114.4	C295 R296	P293-C295 PolarHBondContact O-N 3.21Å; P293-R296 WeakPolarHBondContact O-CG 3.43Å; P293-R296 PolarHBondContact O-N 3.27Å
294	V	91.4	Very high	92.1	Very high	115 Å²	115	72.1 Å²	72.1	70%	0.697	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-67.7	-15.1	177.3	-65.7	0	0	0	0	114.2	L292 Q298	L292-V294 VanDerWaalsContact C-N 3.26Å; L292-V294 HydrophobicContact CB-CG2 4.13Å; L292-V294 PolarHBondContact O-N 3.46Å; L292-V294 VanDerWaalsContact O-N 3.14Å; V294-Q298 WeakPolarHBondContact O-CG 3.49Å
295	C	94.2	Very high	91.7	Very high	1 Å²	1	71.9 Å²	71.9	1%	0.007	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-95.5	-7	-176.5	-76.7	0	0	0	0	114.3	C116 T291 L292 P293 D297 Q298 I299	C116-C295 WeakPolarHBondContact CA-SG 3.29Å; C116-C295 HydrophobicContact CB-CB 3.7Å; C116-C295 WeakPolarHBondContact CB-SG 3.46Å; C116-C295 VanDerWaalsContact SG-CA 3.52Å; C116-C295 WeakPolarHBondContact SG-CB 3.48Å; C116-C295 CovalentContact SG-SG 2.03Å; C116-C295 PolarHBondContact SG-SG 3.1Å; T291-C295 HydrophobicContact CG2-CB 4.08Å; T291-C295 WeakPolarHBondContact OG1-CB 3.45Å; L292-C295 HydrophobicContact CB-CB 4.14Å; L292-C295 WeakPolarHBondContact O-CA 3.38Å; L292-C295 WeakPolarHBondContact O-CB 3.44Å; L292-C295 PolarHBondContact O-N 3.02Å; P293-C295 PolarHBondContact O-N 3.21Å; C295-D297 PolarHBondContact O-N 3.3Å; C295-Q298 PolarHBondContact O-N 3.5Å; C295-I299 HydrophobicContact CB-CD1 4.45Å; C295-I299 PolarHBondContact O-N 2.92Å; C295-I299 VanDerWaalsContact O-N 3.11Å
296	R	93.9	Very high	91.2	Very high	110 Å²	110	68.8 Å²	68.8	42%	0.415	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-35	-174.7	-66.7	-177.2	-179.7	167.1	1.5	113.2	K288 W290 T291 P293	K288-R296 PolarHBondContact O-NH2 3.48Å; W290-R296 HydrophobicContact CH2-CB 4.3Å; W290-R296 HydrophobicContact CH2-CG 4.28Å; W290-R296 HydrophobicContact CZ2-CB 4Å; W290-R296 HydrophobicContact CZ2-CG 3.68Å; T291-R296 HydrophobicContact CG2-CG 4.01Å; P293-R296 WeakPolarHBondContact O-CG 3.43Å; P293-R296 PolarHBondContact O-N 3.27Å
297	D	92.4	Very high	90.8	Very high	125 Å²	125	69 Å²	69	67%	0.668	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-1.9	177.5	-53.5	-39.1	0	0	0	113.4	K112 C295	K112-D297 PolarHBondContact NZ-O 3.01Å; C295-D297 PolarHBondContact O-N 3.3Å
298	Q	93.6	Very high	90.6	Very high	59 Å²	59	75.6 Å²	75.6	28%	0.276	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-10.7	179.8	-55.4	-58.5	-35.4	0	0	112.6	K112 I113 V294 C295	K112-Q298 HydrophobicContact CB-CB 4.27Å; K112-Q298 VanDerWaalsContact CB-O 3.24Å; K112-Q298 WeakPolarHBondContact CB-O 3.31Å; K112-Q298 WeakPolarHBondContact CG-O 3.32Å; K112-Q298 PolarHBondContact N-O 3.43Å; I113-Q298 HydrophobicContact CD1-CB 4.32Å; I113-Q298 HydrophobicContact CD1-CG 4.03Å; I113-Q298 HydrophobicContact CG1-CB 4.15Å; I113-Q298 HydrophobicContact CG1-CG 4.36Å; V294-Q298 WeakPolarHBondContact O-CG 3.49Å; C295-Q298 PolarHBondContact O-N 3.5Å
299	I	94.9	Very high	90.1	Very high	3 Å²	3	74.5 Å²	74.5	2%	0.015	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	111.1	170.6	-51.3	172.2	0	0	0	107.5	T110 F111 C116 Y117 L118 L279 W290 T291 C295	T110-I299 WeakPolarHBondContact O-CA 3.22Å; F111-I299 HydrophobicContact CD1-CD1 4.18Å; F111-I299 HydrophobicContact CD1-CG1 3.97Å; F111-I299 HydrophobicContact CE1-CD1 3.85Å; F111-I299 HydrophobicContact CE1-CG1 4.08Å; F111-I299 HydrophobicContact CE1-CG2 4.27Å; C116-I299 HydrophobicContact CB-CD1 4.03Å; C116-I299 HydrophobicContact CB-CG1 3.93Å; Y117-I299 WeakPolarHBondContact O-CD1 3.47Å; L118-I299 HydrophobicContact CD1-CG2 4.27Å; L118-I299 HydrophobicContact CD2-CD1 3.6Å; L118-I299 HydrophobicContact CD2-CG2 4.02Å; L118-I299 HydrophobicContact CG-CD1 4Å; L118-I299 HydrophobicContact CG-CG2 4.22Å; L279-I299 HydrophobicContact CD1-CG2 4.13Å; W290-I299 HydrophobicContact CZ3-CD1 4.24Å; T291-I299 HydrophobicContact CG2-CD1 4.42Å; T291-I299 WeakPolarHBondContact OG1-CD1 3.28Å; C295-I299 HydrophobicContact CB-CD1 4.45Å; C295-I299 PolarHBondContact O-N 2.92Å; C295-I299 VanDerWaalsContact O-N 3.11Å
300	V	94.2	Very high	89.7	Confident	30 Å²	30	70.2 Å²	70.2	18%	0.182	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	150.2	-173.8	-63.4	0	0	0	0	111.2	I109 T110 H304	I109-V300 CarbonylContact C-O 3.3Å; I109-V300 WeakPolarHBondContact CA-O 3.48Å; T110-V300 HydrophobicContact CG2-CG2 4.47Å; T110-V300 PolarHBondContact N-O 3.27Å; T110-V300 PolarHBondContact O-N 3.12Å; T110-V300 VanDerWaalsContact O-N 3.12Å; V300-H304 VanDerWaalsContact CG2-CD2 3.42Å; V300-H304 WeakPolarHBondContact CG2-CD2 3.37Å
301	D	92.6	Very high	89.1	Confident	77 Å²	77	72.9 Å²	72.9	41%	0.412	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	157	173.2	-65.9	-53.3	0	0	0	111.5	L279 H304	L279-D301 WeakPolarHBondContact CD2-OD1 3.24Å; D301-H304 PolarHBondContact O-CD2 2.82Å; D301-H304 PolarHBondContact O-NE2 2.78Å; D301-H304 VanDerWaalsContact O-NE2 3.09Å
302	N	92.5	Very high	88.4	Confident	104 Å²	104	74 Å²	74	56%	0.556	40%	0.398	S	S	*	.	S	Bend	trans	64.3	165.8	-172.9	-56.9	-62.8	0	0	0	114	F108 I109 T110	F108-N302 VanDerWaalsContact O-CA 3.28Å; F108-N302 WeakPolarHBondContact O-CA 3.31Å; F108-N302 PolarHBondContact O-N 3.03Å; I109-N302 CarbonylContact C-O 3.52Å; T110-N302 PolarHBondContact N-O 3.01Å; T110-N302 PolarHBondContact OG1-O 3.41Å
303	C	93.1	Very high	88	Confident	30 Å²	30	72 Å²	72	20%	0.203	39%	0.388	C	S	.	.			trans	-89	107.4	170.6	-179.9	0	0	0	0	109.7	F108 T110 W190 C264	F108-C303 HydrophobicContact CB-CB 4.24Å; T110-C303 WeakPolarHBondContact OG1-CA 3.44Å; W190-C303 HydrophobicContact CH2-CB 3.81Å; W190-C303 HydrophobicContact CZ2-CB 3.59Å; W190-C303 WeakPolarHBondContact CZ2-SG 3.42Å; C264-C303 HydrophobicContact CB-CB 3.61Å; C264-C303 WeakPolarHBondContact CB-SG 3.49Å; C264-C303 WeakPolarHBondContact SG-CA 3.48Å; C264-C303 WeakPolarHBondContact SG-CB 3.22Å; C264-C303 CovalentContact SG-SG 2.04Å; C264-C303 PolarHBondContact SG-SG 2.82Å
304	H	90.1	Very high	87.3	Confident	89 Å²	89	69.5 Å²	69.5	41%	0.412	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-84.4	153.1	171.7	-68.3	-90.5	0	0	0	110	T110 V300 D301 W356	T110-H304 HydrophobicContact CG2-CB 4.44Å; T110-H304 PolarHBondContact OG1-N 3.13Å; V300-H304 VanDerWaalsContact CG2-CD2 3.42Å; V300-H304 WeakPolarHBondContact CG2-CD2 3.37Å; D301-H304 PolarHBondContact O-CD2 2.82Å; D301-H304 PolarHBondContact O-NE2 2.78Å; D301-H304 VanDerWaalsContact O-NE2 3.09Å; H304-W356 VanDerWaalsContact C-CH2 3.48Å; H304-W356 HydrophobicContact CB-CH2 3.34Å; H304-W356 HydrophobicContact CB-CZ2 3.5Å; H304-W356 HydrophobicContact CB-CZ3 4.47Å; H304-W356 WeakPolarHBondContact O-CH2 3.32Å
305	H	83.7	Confident	86.5	Confident	126 Å²	126	67.8 Å²	67.8	58%	0.583	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-92.7	139.6	167.3	-67.2	79.7	0	0	0	109.6	R136 W356	R136-H305 PolarHBondContact NH1-CD2 3.26Å; R136-H305 PolarHBondContact NH1-CE1 3.36Å; R136-H305 PolarHBondContact NH1-NE2 3.49Å; R136-H305 PolarHBondContact NH2-CD2 3.33Å; R136-H305 PolarHBondContact NH2-NE2 3.23Å; H305-W356 WeakPolarHBondContact O-CH2 3.37Å; H305-W356 WeakPolarHBondContact O-CZ2 3.45Å
306	R	82.4	Confident	85.7	Confident	49 Å²	49	68.5 Å²	68.5	19%	0.185	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-52.1	137.1	165.4	-175.6	-168.2	-175.2	84.7	-8.3	109.1	K308 V310 L311 T355 G358	R306-K308 PolarHBondContact O-N 2.79Å; R306-V310 HydrophobicContact CG-CB 4.3Å; R306-V310 VanDerWaalsContact CZ-CG1 3.47Å; R306-V310 PolarHBondContact NE-O 2.87Å; R306-L311 PolarHBondContact NH2-O 2.81Å; R306-T355 PolarHBondContact NH1-O 2.94Å; R306-G358 PolarHBondContact NH1-O 3.29Å; R306-G358 VanDerWaalsContact NH2-C 3.27Å; R306-G358 PolarHBondContact NH2-O 2.87Å
307	P	82.5	Confident	84.5	Confident	54 Å²	54	67.8 Å²	67.8	35%	0.351	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-55.2	138.3	178.6	-22.6	32.2	0	0	0	111.5	G309 V310 L357	P307-G309 PolarHBondContact O-N 3.09Å; P307-V310 HydrophobicContact CB-CG2 3.87Å; P307-V310 HydrophobicContact CG-CG2 4.36Å; P307-V310 WeakPolarHBondContact O-CG2 3.5Å; P307-V310 PolarHBondContact O-N 2.77Å; P307-L357 HydrophobicContact CG-CD2 3.95Å
308	K	78.6	Confident	83.2	Confident	217 Å²	217	69.7 Å²	69.7	94%	0.943	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	138.6	179.2	-66.8	-176.3	179.7	-179.5	0	109.5	R306	R306-K308 PolarHBondContact O-N 2.79Å
309	G	76.2	Confident	81.8	Confident	76 Å²	76	71 Å²	71	78%	0.784	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.1	-15	179.7	0	0	0	0	0	115.1	P307 L311	P307-G309 PolarHBondContact O-N 3.09Å; G309-L311 PolarHBondContact O-N 2.86Å
310	V	82.6	Confident	80.1	Confident	33 Å²	33	73.2 Å²	73.2	20%	0.2	38%	0.375	C	S	.	.			trans	-75	115.5	176.6	-173.8	0	0	0	0	109.7	R306 P307 N312 L357	R306-V310 HydrophobicContact CG-CB 4.3Å; R306-V310 VanDerWaalsContact CZ-CG1 3.47Å; R306-V310 PolarHBondContact NE-O 2.87Å; P307-V310 HydrophobicContact CB-CG2 3.87Å; P307-V310 HydrophobicContact CG-CG2 4.36Å; P307-V310 WeakPolarHBondContact O-CG2 3.5Å; P307-V310 PolarHBondContact O-N 2.77Å; V310-N312 PolarHBondContact O-N 2.87Å; V310-L357 VanDerWaalsContact CG1-O 3.29Å; V310-L357 WeakPolarHBondContact CG1-O 3.49Å
311	L	80.2	Confident	78.2	Confident	72 Å²	72	75.4 Å²	75.4	38%	0.377	39%	0.386	S	S	.	.			trans	-59.2	128.5	-175.8	-57	-178.8	0	0	0	112.1	R306 G309 Q315 I316 I319	R306-L311 PolarHBondContact NH2-O 2.81Å; G309-L311 PolarHBondContact O-N 2.86Å; L311-Q315 HydrophobicContact CD2-CB 4.38Å; L311-I316 HydrophobicContact CB-CD1 4.05Å; L311-I316 HydrophobicContact CB-CG1 3.49Å; L311-I316 VanDerWaalsContact CB-CG1 3.49Å; L311-I316 HydrophobicContact CD1-CG1 3.97Å; L311-I316 HydrophobicContact CG-CG1 4.35Å; L311-I319 HydrophobicContact CD1-CD1 3.9Å; L311-I319 HydrophobicContact CD2-CD1 3.19Å; L311-I319 HydrophobicContact CG-CD1 4.17Å
312	N	81.1	Confident	76.2	Confident	30 Å²	30	77.8 Å²	77.8	16%	0.16	39%	0.394	C	S	.	.			trans	-90.8	166.8	168.5	70.8	31.7	0	0	0	111.6	V310 N314 Q315 I316 Q354	V310-N312 PolarHBondContact O-N 2.87Å; N312-N314 PolarHBondContact O-N 3.02Å; N312-N314 VanDerWaalsContact O-N 3.14Å; N312-N314 PolarHBondContact OD1-N 3.27Å; N312-N314 VanDerWaalsContact OD1-N 3.1Å; N312-Q315 PolarHBondContact O-N 3.03Å; N312-Q315 WeakPolarHBondContact OD1-CB 3.26Å; N312-Q315 VanDerWaalsContact OD1-CG 3.25Å; N312-Q315 WeakPolarHBondContact OD1-CG 3.3Å; N312-Q315 PolarHBondContact OD1-N 3.39Å; N312-I316 WeakPolarHBondContact O-CG1 3.31Å; N312-I316 PolarHBondContact O-N 3.39Å; N312-Q354 VanDerWaalsContact CA-OE1 3.27Å
313	C	84.3	Confident	74.3	Confident	16 Å²	16	76.5 Å²	76.5	11%	0.108	39%	0.394	C	S	.	.	H	α-helix	trans	-50	-42.2	-180	-69.4	0	0	0	0	113.3	I316 Q317 C352	C313-I316 PolarHBondContact O-N 3.5Å; C313-Q317 WeakPolarHBondContact O-CG 3.22Å; C313-Q317 PolarHBondContact O-N 2.93Å; C313-C352 VanDerWaalsContact CA-SG 3.52Å; C313-C352 HydrophobicContact CB-CB 3.79Å; C313-C352 WeakPolarHBondContact CB-SG 3.35Å; C313-C352 WeakPolarHBondContact SG-CB 3.21Å; C313-C352 PolarHBondContact SG-O 3.1Å; C313-C352 VanDerWaalsContact SG-O 3.4Å; C313-C352 CovalentContact SG-SG 2.05Å; C313-C352 PolarHBondContact SG-SG 2.95Å
314	N	78.1	Confident	72	Confident	43 Å²	43	77.3 Å²	77.3	23%	0.23	40%	0.397	C	S	.	.	H	α-helix	trans	-71.9	-34.3	-179.1	-63.8	-4.2	0	0	0	112.4	E140 N312 R318	E140-N314 PolarHBondContact OE1-ND2 2.81Å; E140-N314 PolarHBondContact OE1-OD1 2.83Å; N312-N314 PolarHBondContact O-N 3.02Å; N312-N314 VanDerWaalsContact O-N 3.14Å; N312-N314 PolarHBondContact OD1-N 3.27Å; N312-N314 VanDerWaalsContact OD1-N 3.1Å; N314-R318 WeakPolarHBondContact O-CG 3.49Å; N314-R318 PolarHBondContact O-N 2.91Å; N314-R318 VanDerWaalsContact O-N 3.12Å
315	Q	76.1	Confident	69.8	Low	79 Å²	79	78.5 Å²	78.5	37%	0.369	41%	0.407	S	S	.	.	H	α-helix	trans	-72.9	-38.4	176.8	-76.4	170.7	-26.7	0	0	111.5	L311 N312 Q317 R318 I319	L311-Q315 HydrophobicContact CD2-CB 4.38Å; N312-Q315 PolarHBondContact O-N 3.03Å; N312-Q315 WeakPolarHBondContact OD1-CB 3.26Å; N312-Q315 VanDerWaalsContact OD1-CG 3.25Å; N312-Q315 WeakPolarHBondContact OD1-CG 3.3Å; N312-Q315 PolarHBondContact OD1-N 3.39Å; Q315-Q317 VanDerWaalsContact C-N 3.29Å; Q315-Q317 PolarHBondContact O-N 2.86Å; Q315-R318 PolarHBondContact O-N 3.36Å; Q315-R318 VanDerWaalsContact O-N 3.13Å; Q315-I319 WeakPolarHBondContact O-CG1 3.08Å; Q315-I319 PolarHBondContact O-N 3.05Å
316	I	76.4	Confident	68	Low	16 Å²	16	78.2 Å²	78.2	8%	0.082	41%	0.414	C	S	.	.	H	α-helix	trans	-62	-44	177.1	-62.2	171.2	0	0	0	109.7	L311 N312 C313 R318 I319 Q320 Y345 V359	L311-I316 HydrophobicContact CB-CD1 4.05Å; L311-I316 HydrophobicContact CB-CG1 3.49Å; L311-I316 VanDerWaalsContact CB-CG1 3.49Å; L311-I316 HydrophobicContact CD1-CG1 3.97Å; L311-I316 HydrophobicContact CG-CG1 4.35Å; N312-I316 WeakPolarHBondContact O-CG1 3.31Å; N312-I316 PolarHBondContact O-N 3.39Å; C313-I316 PolarHBondContact O-N 3.5Å; I316-R318 VanDerWaalsContact C-N 3.32Å; I316-R318 PolarHBondContact O-N 2.81Å; I316-I319 PolarHBondContact O-N 3.37Å; I316-Q320 WeakPolarHBondContact O-CB 3.16Å; I316-Q320 WeakPolarHBondContact O-CG 3.48Å; I316-Q320 PolarHBondContact O-N 2.62Å; I316-Q320 VanDerWaalsContact O-N 3.1Å; I316-Q320 PolarHBondContact O-OE1 2.92Å; I316-Y345 HydrophobicContact CD1-CD2 4.42Å; I316-Y345 HydrophobicContact CD1-CG 4.37Å; I316-Y345 HydrophobicContact CG2-CD2 4.13Å; I316-Y345 HydrophobicContact CG2-CG 4.16Å; I316-V359 HydrophobicContact CD1-CB 3.99Å; I316-V359 HydrophobicContact CD1-CG1 3.57Å; I316-V359 HydrophobicContact CD1-CG2 3.21Å
317	Q	69.5	Low	66.2	Low	96 Å²	96	84.8 Å²	84.8	45%	0.449	44%	0.444	S	S	.	.	H	α-helix	trans	-59.5	-41.4	173.4	-69	173.5	-2.9	0	0	111.9	C313 Q315 N321	C313-Q317 WeakPolarHBondContact O-CG 3.22Å; C313-Q317 PolarHBondContact O-N 2.93Å; Q315-Q317 VanDerWaalsContact C-N 3.29Å; Q315-Q317 PolarHBondContact O-N 2.86Å; Q317-N321 PolarHBondContact O-N 2.79Å; Q317-N321 VanDerWaalsContact O-N 3.11Å; Q317-N321 PolarHBondContact O-ND2 2.99Å; Q317-N321 PolarHBondContact O-OD1 3.07Å
318	R	65.2	Low	64.2	Low	165 Å²	165	87.5 Å²	87.5	62%	0.623	46%	0.46	S	S	*	.	H	α-helix	trans	-71.3	-39.1	178.5	-73.2	178.7	-171	177.3	3.3	114.4	N314 Q315 I316 Q320 N321 H322	N314-R318 WeakPolarHBondContact O-CG 3.49Å; N314-R318 PolarHBondContact O-N 2.91Å; N314-R318 VanDerWaalsContact O-N 3.12Å; Q315-R318 PolarHBondContact O-N 3.36Å; Q315-R318 VanDerWaalsContact O-N 3.13Å; I316-R318 VanDerWaalsContact C-N 3.32Å; I316-R318 PolarHBondContact O-N 2.81Å; R318-Q320 VanDerWaalsContact C-N 3.27Å; R318-Q320 PolarHBondContact O-N 2.85Å; R318-N321 CarbonylContact O-C 3.5Å; R318-N321 WeakPolarHBondContact O-CA 3.42Å; R318-N321 WeakPolarHBondContact O-CB 3.41Å; R318-N321 PolarHBondContact O-N 2.64Å; R318-H322 PolarHBondContact O-CD2 3.14Å; R318-H322 PolarHBondContact O-N 2.73Å
319	I	64	Low	62.3	Low	85 Å²	85	84.8 Å²	84.8	44%	0.436	46%	0.456	S	S	.	.	H	α-helix	trans	-65.5	-38.9	177.8	-71.5	173.6	0	0	0	109.8	L311 Q315 I316 N321 H322 S323	L311-I319 HydrophobicContact CD1-CD1 3.9Å; L311-I319 HydrophobicContact CD2-CD1 3.19Å; L311-I319 HydrophobicContact CG-CD1 4.17Å; Q315-I319 WeakPolarHBondContact O-CG1 3.08Å; Q315-I319 PolarHBondContact O-N 3.05Å; I316-I319 PolarHBondContact O-N 3.37Å; I319-N321 PolarHBondContact O-N 3.45Å; I319-H322 PolarHBondContact O-N 3.3Å; I319-S323 PolarHBondContact O-N 2.78Å
320	Q	58.5	Low	60.8	Low	51 Å²	51	90.7 Å²	90.7	24%	0.238	46%	0.46	C	S	.	.	H	α-helix	trans	-58.9	-39.2	171.1	-70.1	170.4	-29.1	0	0	110.5	I316 R318 F342 Q343	I316-Q320 WeakPolarHBondContact O-CB 3.16Å; I316-Q320 WeakPolarHBondContact O-CG 3.48Å; I316-Q320 PolarHBondContact O-N 2.62Å; I316-Q320 VanDerWaalsContact O-N 3.1Å; I316-Q320 PolarHBondContact O-OE1 2.92Å; R318-Q320 VanDerWaalsContact C-N 3.27Å; R318-Q320 PolarHBondContact O-N 2.85Å; Q320-F342 WeakPolarHBondContact O-CD1 3.42Å; Q320-F342 WeakPolarHBondContact O-CE1 3.04Å; Q320-Q343 PolarHBondContact NE2-O 3.05Å; Q320-Q343 VanDerWaalsContact NE2-O 3.08Å; Q320-Q343 PolarHBondContact OE1-O 2.89Å
321	N	54.1	Low	58.8	Low	76 Å²	76	97.2 Å²	97.2	41%	0.406	49%	0.493	S	S	.	.	H	α-helix	trans	-68.9	-31.8	174.9	-64.1	-11.5	0	0	0	115.1	Q317 R318 I319 T324 F342	Q317-N321 PolarHBondContact O-N 2.79Å; Q317-N321 VanDerWaalsContact O-N 3.11Å; Q317-N321 PolarHBondContact O-ND2 2.99Å; Q317-N321 PolarHBondContact O-OD1 3.07Å; R318-N321 CarbonylContact O-C 3.5Å; R318-N321 WeakPolarHBondContact O-CA 3.42Å; R318-N321 WeakPolarHBondContact O-CB 3.41Å; R318-N321 PolarHBondContact O-N 2.64Å; I319-N321 PolarHBondContact O-N 3.45Å; N321-T324 PolarHBondContact O-OG1 3.12Å; N321-F342 HydrophobicContact CB-CE1 4.39Å
322	H	51.8	Low	57.1	Low	127 Å²	127	100.2 Å²	100.2	59%	0.588	51%	0.514	S	S	*	.	H	α-helix	trans	-90.2	-29.4	-175.4	-83.3	-66.2	0	0	0	114.7	R318 I319 T324 N325	R318-H322 PolarHBondContact O-CD2 3.14Å; R318-H322 PolarHBondContact O-N 2.73Å; I319-H322 PolarHBondContact O-N 3.3Å; H322-T324 PolarHBondContact O-N 2.99Å; H322-T324 VanDerWaalsContact O-N 3.13Å; H322-N325 PolarHBondContact O-N 3.44Å; H322-N325 VanDerWaalsContact O-N 3.11Å
323	S	51	Low	55.2	Low	77 Å²	77	106.6 Å²	106.6	54%	0.538	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-16.7	-178.6	-158.4	0	0	0	0	113.2	I319	I319-S323 PolarHBondContact O-N 2.78Å
324	T	45.2	Very low	53	Low	46 Å²	46	109.6 Å²	109.6	28%	0.282	58%	0.582	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.2	-21.7	176.1	54.5	0	0	0	0	113.7	N321 H322 F342	N321-T324 PolarHBondContact O-OG1 3.12Å; H322-T324 PolarHBondContact O-N 2.99Å; H322-T324 VanDerWaalsContact O-N 3.13Å; T324-F342 HydrophobicContact CG2-CD1 4.26Å; T324-F342 HydrophobicContact CG2-CE1 3.55Å; T324-F342 HydrophobicContact CG2-CZ 4.2Å; T324-F342 WeakPolarHBondContact OG1-CE1 3.13Å; T324-F342 VanDerWaalsContact OG1-CZ 3.28Å; T324-F342 WeakPolarHBondContact OG1-CZ 3.15Å
325	N	44.7	Very low	51.4	Low	115 Å²	115	114.8 Å²	114.8	62%	0.615	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	-10.9	-176.4	-78	-17.2	0	0	0	114.3	H322	H322-N325 PolarHBondContact O-N 3.44Å; H322-N325 VanDerWaalsContact O-N 3.11Å
326	T	46.1	Very low	49.6	Very low	120 Å²	120	117.9 Å²	117.9	74%	0.736	63%	0.629	S	S	*	*	S	Bend	trans	-106.4	6	-176.3	45.7	0	0	0	0	114.9
327	K	43.8	Very low	48.3	Very low	186 Å²	186	122 Å²	122	81%	0.809	65%	0.651	S	S	*	*	S	Bend	trans	-105.7	4.8	174.7	-78.6	-173.8	176.7	179.4	0	115.2	N329	K327-N329 PolarHBondContact O-N 2.88Å
328	T	41.3	Very low	47	Very low	111 Å²	111	126.1 Å²	126.1	68%	0.681	67%	0.668	S	S	*	*			trans	-100.9	68.6	175.1	47.6	0	0	0	0	111.1
329	N	39.1	Very low	46.1	Very low	161 Å²	161	124.5 Å²	124.5	86%	0.861	67%	0.672	S	S	*	*			trans	-158.8	49.7	165.4	-101.8	-12.9	0	0	0	111.7	K327	K327-N329 PolarHBondContact O-N 2.88Å
330	K	44.5	Very low	45.2	Very low	200 Å²	200	125.5 Å²	125.5	87%	0.87	67%	0.673	S	S	*	*	S	Bend	trans	-139.8	114	159.1	-76.3	-168.4	177.7	177.3	0	109.1	V332	K330-V332 PolarHBondContact O-N 2.78Å; K330-V332 VanDerWaalsContact O-N 3.17Å
331	N	39.4	Very low	44.9	Very low	169 Å²	169	126.4 Å²	126.4	90%	0.904	68%	0.679	S	S	*	*			trans	-54.7	109.1	172.5	-62.3	-29.3	0	0	0	110.2
332	V	44.7	Very low	45.1	Very low	135 Å²	135	126.9 Å²	126.9	82%	0.818	68%	0.677	S	S	*	*			trans	-145.4	128.4	155	-177.3	0	0	0	0	106.5	K330	K330-V332 PolarHBondContact O-N 2.78Å; K330-V332 VanDerWaalsContact O-N 3.17Å
333	D	42.1	Very low	45.7	Very low	165 Å²	165	122.1 Å²	122.1	88%	0.882	66%	0.655	S	S	*	*			trans	-57.2	137.5	-174	-62.8	-57.8	0	0	0	113.7
334	G	38.5	Very low	46.9	Very low	79 Å²	79	120.9 Å²	120.9	81%	0.814	65%	0.646	S	S	*	*			trans	76.9	66.1	146.6	0	0	0	0	0	118.7
335	D	43	Very low	48.8	Very low	152 Å²	152	121.1 Å²	121.1	81%	0.813	64%	0.642	S	S	*	*			trans	-157.3	134.4	139.3	-152.3	-4.5	0	0	0	111.3	D337	D335-D337 VanDerWaalsContact C-N 3.28Å; D335-D337 PolarHBondContact O-N 3.44Å
336	N	39.1	Very low	51	Low	144 Å²	144	115.9 Å²	115.9	77%	0.77	61%	0.614	S	S	*	*			trans	-79.5	70.6	-177.8	-77.7	-48.4	0	0	0	110.4	K338	N336-K338 PolarHBondContact O-N 2.84Å
337	D	48.4	Very low	53.1	Low	102 Å²	102	111 Å²	111	55%	0.545	58%	0.583	S	S	.	*			trans	-82.6	49.1	178.2	-156.6	15.5	0	0	0	111.7	D335 D339 K340	D335-D337 VanDerWaalsContact C-N 3.28Å; D335-D337 PolarHBondContact O-N 3.44Å; D337-D339 VanDerWaalsContact C-N 3.34Å; D337-K340 WeakPolarHBondContact OD2-CE 2.98Å; D337-K340 IonicContact OD2-NZ 3.92Å; D337-K340 PolarHBondContact OD2-NZ 3.34Å
338	K	43.1	Very low	55.3	Low	183 Å²	183	103.2 Å²	103.2	80%	0.796	55%	0.551	S	S	*	*			trans	-82.3	-2.5	-178.6	-83.8	-174.4	177.8	174.8	0	114.6	N336	N336-K338 PolarHBondContact O-N 2.84Å
339	D	45	Very low	57.4	Low	131 Å²	131	99.1 Å²	99.1	70%	0.701	53%	0.525	S	S	*	.			trans	-113.6	40.4	-175.2	-73.3	-30.9	0	0	0	113.3	D337 L341	D337-D339 VanDerWaalsContact C-N 3.34Å; D339-L341 PolarHBondContact O-N 2.76Å
340	K	45.3	Very low	59.8	Low	106 Å²	106	92.1 Å²	92.1	46%	0.461	49%	0.49	S	S	.	.			trans	-74.8	68.2	170.6	-78.2	-147.8	152.5	111.5	0	112.3	D337 F342	D337-K340 WeakPolarHBondContact OD2-CE 2.98Å; D337-K340 IonicContact OD2-NZ 3.92Å; D337-K340 PolarHBondContact OD2-NZ 3.34Å; K340-F342 PolarHBondContact O-N 2.95Å
341	L	53.7	Low	61.9	Low	70 Å²	70	85 Å²	85	37%	0.366	46%	0.461	S	S	.	.			trans	-56.9	127.2	-178.4	-156.1	63.1	0	0	0	112.2	D339 Y619 R639 L641	D339-L341 PolarHBondContact O-N 2.76Å; L341-Y619 HydrophobicContact CD2-CE1 4.39Å; L341-Y619 WeakPolarHBondContact CD2-OH 3.18Å; L341-R639 WeakPolarHBondContact O-CD 3.24Å; L341-R639 PolarHBondContact O-NE 2.81Å; L341-L641 HydrophobicContact CD1-CD1 3.64Å; L341-L641 HydrophobicContact CD1-CD2 4.31Å; L341-L641 HydrophobicContact CD1-CG 4.42Å; L341-L641 HydrophobicContact CD2-CB 3.35Å; L341-L641 HydrophobicContact CD2-CD1 3.89Å; L341-L641 HydrophobicContact CD2-CD2 4.04Å; L341-L641 HydrophobicContact CD2-CG 3.93Å; L341-L641 HydrophobicContact CG-CB 3.86Å; L341-L641 HydrophobicContact CG-CD1 3.46Å; L341-L641 VanDerWaalsContact CG-CD1 3.46Å; L341-L641 HydrophobicContact CG-CD2 4.4Å; L341-L641 HydrophobicContact CG-CG 4.09Å
342	F	57.3	Low	64.2	Low	85 Å²	85	78.3 Å²	78.3	37%	0.373	43%	0.427	S	S	.	.			trans	-68.5	136.9	-178	-60.5	-76.1	0	0	0	111.7	Q320 N321 T324 K340	Q320-F342 WeakPolarHBondContact O-CD1 3.42Å; Q320-F342 WeakPolarHBondContact O-CE1 3.04Å; N321-F342 HydrophobicContact CB-CE1 4.39Å; T324-F342 HydrophobicContact CG2-CD1 4.26Å; T324-F342 HydrophobicContact CG2-CE1 3.55Å; T324-F342 HydrophobicContact CG2-CZ 4.2Å; T324-F342 WeakPolarHBondContact OG1-CE1 3.13Å; T324-F342 VanDerWaalsContact OG1-CZ 3.28Å; T324-F342 WeakPolarHBondContact OG1-CZ 3.15Å; K340-F342 PolarHBondContact O-N 2.95Å
343	Q	63.6	Low	66.3	Low	27 Å²	27	72 Å²	72	13%	0.126	39%	0.389	C	S	.	.			trans	-105.2	131	171.1	-85.7	-171.1	-50.9	0	0	111.4	Q320 N638 R639	Q320-Q343 PolarHBondContact NE2-O 3.05Å; Q320-Q343 VanDerWaalsContact NE2-O 3.08Å; Q320-Q343 PolarHBondContact OE1-O 2.89Å; Q343-N638 PolarHBondContact NE2-O 3.04Å; Q343-N638 PolarHBondContact OE1-O 3.27Å; Q343-R639 HydrophobicContact CG-CB 4.41Å; Q343-R639 HydrophobicContact CG-CG 4.35Å
344	P	76.8	Confident	68.4	Low	52 Å²	52	64.1 Å²	64.1	34%	0.338	35%	0.347	S	S	.	.			trans	-61.9	153.1	169	27.6	-33.4	0	0	0	111.1	C346	P344-C346 WeakPolarHBondContact CB-O 3.39Å; P344-C346 VanDerWaalsContact CG-O 3.32Å; P344-C346 WeakPolarHBondContact CG-O 3.33Å; P344-C346 PolarHBondContact O-N 3.37Å
345	Y	85.9	Confident	70.6	Confident	50 Å²	50	61.6 Å²	61.6	20%	0.196	32%	0.316	C	S	.	.	S	Bend	trans	-57	-50	174.9	178.2	-101.6	0	0	0	111.8	I316 V359 C361 H371 R372	I316-Y345 HydrophobicContact CD1-CD2 4.42Å; I316-Y345 HydrophobicContact CD1-CG 4.37Å; I316-Y345 HydrophobicContact CG2-CD2 4.13Å; I316-Y345 HydrophobicContact CG2-CG 4.16Å; Y345-V359 HydrophobicContact CD1-CG2 3.66Å; Y345-V359 HydrophobicContact CD2-CG2 4.44Å; Y345-V359 HydrophobicContact CE1-CB 4.28Å; Y345-V359 HydrophobicContact CE1-CG2 3.28Å; Y345-V359 HydrophobicContact CE2-CG2 4.11Å; Y345-V359 HydrophobicContact CG-CG2 4.24Å; Y345-C361 VanDerWaalsContact CD1-SG 3.53Å; Y345-C361 VanDerWaalsContact CE1-SG 3.54Å; Y345-H371 PolarHBondContact OH-CE1 2.84Å; Y345-H371 PolarHBondContact OH-ND1 2.93Å; Y345-R372 HydrophobicContact CE1-CG 4.34Å; Y345-R372 HydrophobicContact CE2-CG 4.34Å; Y345-R372 PolarHBondContact O-NE 3.17Å; Y345-R372 PolarHBondContact O-NH2 2.86Å; Y345-R372 VanDerWaalsContact O-NH2 3.12Å
346	C	90.2	Very high	72.4	Confident	5 Å²	5	56.2 Å²	56.2	3%	0.034	28%	0.284	C	S	.	.	S	Bend	trans	-85.3	121.4	171.5	-57.2	0	0	0	0	109.3	P344 G350 C352 C361	P344-C346 WeakPolarHBondContact CB-O 3.39Å; P344-C346 VanDerWaalsContact CG-O 3.32Å; P344-C346 WeakPolarHBondContact CG-O 3.33Å; P344-C346 PolarHBondContact O-N 3.37Å; C346-G350 WeakPolarHBondContact CB-O 3.42Å; C346-C352 VanDerWaalsContact SG-CA 3.52Å; C346-C361 WeakPolarHBondContact CA-SG 3.37Å; C346-C361 HydrophobicContact CB-CB 3.7Å; C346-C361 WeakPolarHBondContact CB-SG 3.23Å; C346-C361 WeakPolarHBondContact SG-CA 3.47Å; C346-C361 WeakPolarHBondContact SG-CB 3.03Å; C346-C361 CovalentContact SG-SG 2.02Å; C346-C361 PolarHBondContact SG-SG 2.87Å
347	L	90.4	Very high	74.6	Confident	18 Å²	18	53.9 Å²	53.9	9%	0.094	27%	0.271	C	S	.	.			trans	-84.1	169.7	179.6	-55.4	178.3	0	0	0	110.4	D349 G350 R372 C373 M374	L347-D349 PolarHBondContact O-N 3.42Å; L347-D349 VanDerWaalsContact O-N 3.15Å; L347-G350 PolarHBondContact O-N 2.97Å; L347-R372 WeakPolarHBondContact CB-O 3.41Å; L347-R372 PolarHBondContact N-O 3.48Å; L347-C373 WeakPolarHBondContact O-CB 3.44Å; L347-M374 HydrophobicContact CD1-CB 4.01Å
348	N	89.9	Confident	76.5	Confident	22 Å²	22	49.9 Å²	49.9	12%	0.118	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	35.1	172.5	-58.8	-44.1	0	0	0	114.7	G350 T366 F368 C373 R517	N348-G350 VanDerWaalsContact C-N 3.3Å; N348-G350 PolarHBondContact O-N 2.75Å; N348-T366 WeakPolarHBondContact O-CB 3.45Å; N348-T366 WeakPolarHBondContact O-CG2 3.34Å; N348-F368 HydrophobicContact CB-CB 4.39Å; N348-F368 HydrophobicContact CB-CD2 3.54Å; N348-F368 HydrophobicContact CB-CE2 4Å; N348-F368 HydrophobicContact CB-CG 4.06Å; N348-F368 VanDerWaalsContact CG-CD2 3.45Å; N348-F368 VanDerWaalsContact ND2-CD1 3.34Å; N348-F368 WeakPolarHBondContact ND2-CD1 3.3Å; N348-F368 WeakPolarHBondContact ND2-CD2 3.5Å; N348-F368 WeakPolarHBondContact ND2-CG 3.1Å; N348-C373 PolarHBondContact ND2-O 2.72Å; N348-R517 PolarHBondContact O-NH1 3.38Å
349	D	86.3	Confident	78.6	Confident	26 Å²	26	41.9 Å²	41.9	14%	0.139	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	24.4	-174.7	-43.8	-56	0	0	0	115.1	L347 R517 R519	L347-D349 PolarHBondContact O-N 3.42Å; L347-D349 VanDerWaalsContact O-N 3.15Å; D349-R517 IonicContact OD2-CZ 3.91Å; D349-R517 IonicContact OD2-NH1 2.73Å; D349-R517 PolarHBondContact OD2-NH1 2.91Å; D349-R517 IonicContact OD2-NH2 3.74Å; D349-R517 PolarHBondContact OD2-NH2 2.95Å; D349-R519 IonicContact OD2-CZ 3.32Å; D349-R519 IonicContact OD2-NH1 2.63Å; D349-R519 PolarHBondContact OD2-NH1 2.81Å; D349-R519 VanDerWaalsContact OD2-NH1 3.12Å; D349-R519 IonicContact OD2-NH2 2.96Å; D349-R519 PolarHBondContact OD2-NH2 3.21Å
350	G	89	Confident	80.8	Confident	13 Å²	13	37.7 Å²	37.7	13%	0.134	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-60.9	141.6	172.6	0	0	0	0	0	112.2	C346 L347 N348 A362	C346-G350 WeakPolarHBondContact CB-O 3.42Å; L347-G350 PolarHBondContact O-N 2.97Å; N348-G350 VanDerWaalsContact C-N 3.3Å; N348-G350 PolarHBondContact O-N 2.75Å; G350-A362 CarbonylContact C-O 3.6Å; G350-A362 VanDerWaalsContact CA-O 3.26Å; G350-A362 WeakPolarHBondContact CA-O 3.44Å
351	I	87.7	Confident	83	Confident	50 Å²	50	33.5 Å²	33.5	26%	0.256	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	123.9	-179.8	-56	172.6	0	0	0	108.9	L353 C361 A362	I351-L353 HydrophobicContact CG2-CD2 4.17Å; I351-L353 PolarHBondContact O-N 3.37Å; I351-C361 CarbonylContact O-C 3.5Å; I351-C361 WeakPolarHBondContact O-CA 3.21Å; I351-A362 HydrophobicContact CB-CB 4.13Å; I351-A362 PolarHBondContact N-O 2.04Å; I351-A362 PolarHBondContact O-N 3.39Å
352	C	89.3	Confident	84.8	Confident	29 Å²	29	30.5 Å²	30.5	20%	0.196	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	122.3	173.4	-175.3	0	0	0	0	110.3	C313 C346	C313-C352 VanDerWaalsContact CA-SG 3.52Å; C313-C352 HydrophobicContact CB-CB 3.79Å; C313-C352 WeakPolarHBondContact CB-SG 3.35Å; C313-C352 WeakPolarHBondContact SG-CB 3.21Å; C313-C352 PolarHBondContact SG-O 3.1Å; C313-C352 VanDerWaalsContact SG-O 3.4Å; C313-C352 CovalentContact SG-SG 2.05Å; C313-C352 PolarHBondContact SG-SG 2.95Å; C346-C352 VanDerWaalsContact SG-CA 3.52Å
353	L	88.6	Confident	86.5	Confident	2 Å²	2	26.9 Å²	26.9	1%	0.01	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	141.8	176.3	-59.8	174.3	0	0	0	109.9	H259 I351 V359 K360 A362	H259-L353 HydrophobicContact CB-CD1 4.06Å; H259-L353 HydrophobicContact CB-CD2 4.4Å; H259-L353 VanDerWaalsContact CD2-CD1 3.47Å; H259-L353 WeakPolarHBondContact CD2-CD1 3.44Å; H259-L353 VanDerWaalsContact CG-CD1 3.49Å; I351-L353 HydrophobicContact CG2-CD2 4.17Å; I351-L353 PolarHBondContact O-N 3.37Å; L353-V359 CarbonylContact O-C 3.57Å; L353-V359 VanDerWaalsContact O-CA 3.3Å; L353-V359 WeakPolarHBondContact O-CA 3.37Å; L353-K360 HydrophobicContact CB-CG 3.8Å; L353-K360 HydrophobicContact CD1-CG 4.36Å; L353-K360 PolarHBondContact N-O 3.3Å; L353-K360 PolarHBondContact O-N 2.95Å; L353-A362 HydrophobicContact CD1-CB 3.93Å; L353-A362 HydrophobicContact CG-CB 4.41Å
354	Q	85.1	Confident	87.7	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	135.4	-179.8	-165.7	74.5	-15	0	0	109.7	Q139 Q262 N312	Q139-Q354 HydrophobicContact CB-CB 4.27Å; Q139-Q354 HydrophobicContact CG-CB 4.34Å; Q262-Q354 HydrophobicContact CG-CB 4.42Å; N312-Q354 VanDerWaalsContact CA-OE1 3.27Å
355	T	85.1	Confident	88.1	Confident	26 Å²	26	27.1 Å²	27.1	16%	0.16	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	154	169.5	71.1	0	0	0	0	109.1	R306 L357 G358 K360	R306-T355 PolarHBondContact NH1-O 2.94Å; T355-L357 PolarHBondContact O-N 3.1Å; T355-G358 PolarHBondContact N-O 2.93Å; T355-G358 PolarHBondContact O-N 2.87Å; T355-G358 VanDerWaalsContact O-N 3.1Å; T355-G358 PolarHBondContact OG1-N 3.36Å; T355-G358 PolarHBondContact OG1-O 2.97Å; T355-G358 VanDerWaalsContact OG1-O 3.12Å; T355-K360 HydrophobicContact CG2-CB 3.96Å; T355-K360 HydrophobicContact CG2-CD 3.88Å; T355-K360 HydrophobicContact CG2-CG 3.68Å
356	W	81.8	Confident	88.4	Confident	39 Å²	39	24.8 Å²	24.8	15%	0.148	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-37.6	-174	-165.4	-109	0	0	0	116.1	T110 K112 H304 H305	T110-W356 HydrophobicContact CG2-CE3 4.21Å; T110-W356 HydrophobicContact CG2-CH2 3.93Å; T110-W356 HydrophobicContact CG2-CZ3 3.51Å; K112-W356 HydrophobicContact CB-CB 3.84Å; K112-W356 HydrophobicContact CB-CD2 4.43Å; K112-W356 HydrophobicContact CB-CE3 4.38Å; K112-W356 HydrophobicContact CB-CG 4.23Å; K112-W356 HydrophobicContact CD-CB 4.31Å; K112-W356 HydrophobicContact CD-CD2 4.27Å; K112-W356 HydrophobicContact CD-CG 4.01Å; K112-W356 HydrophobicContact CG-CB 4.11Å; K112-W356 HydrophobicContact CG-CD2 3.86Å; K112-W356 HydrophobicContact CG-CE3 3.95Å; K112-W356 HydrophobicContact CG-CG 3.94Å; K112-W356 PolarHBondContact O-N 3Å; H304-W356 VanDerWaalsContact C-CH2 3.48Å; H304-W356 HydrophobicContact CB-CH2 3.34Å; H304-W356 HydrophobicContact CB-CZ2 3.5Å; H304-W356 HydrophobicContact CB-CZ3 4.47Å; H304-W356 WeakPolarHBondContact O-CH2 3.32Å; H305-W356 WeakPolarHBondContact O-CH2 3.37Å; H305-W356 WeakPolarHBondContact O-CZ2 3.45Å
357	L	84.7	Confident	88.7	Confident	95 Å²	95	24.7 Å²	24.7	50%	0.497	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	10.8	-175.9	-60.7	176.4	0	0	0	113.9	M56 P307 V310 T355	M56-L357 HydrophobicContact CE-CD1 3.13Å; M56-L357 HydrophobicContact SD-CD1 4.09Å; P307-L357 HydrophobicContact CG-CD2 3.95Å; V310-L357 VanDerWaalsContact CG1-O 3.29Å; V310-L357 WeakPolarHBondContact CG1-O 3.49Å; T355-L357 PolarHBondContact O-N 3.1Å
358	G	87.4	Confident	88.9	Confident	17 Å²	17	24.5 Å²	24.5	18%	0.175	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.9	-143.7	179.6	0	0	0	0	0	112.7	R306 T355	R306-G358 PolarHBondContact NH1-O 3.29Å; R306-G358 VanDerWaalsContact NH2-C 3.27Å; R306-G358 PolarHBondContact NH2-O 2.87Å; T355-G358 PolarHBondContact N-O 2.93Å; T355-G358 PolarHBondContact O-N 2.87Å; T355-G358 VanDerWaalsContact O-N 3.1Å; T355-G358 PolarHBondContact OG1-N 3.36Å; T355-G358 PolarHBondContact OG1-O 2.97Å; T355-G358 VanDerWaalsContact OG1-O 3.12Å
359	V	88.5	Confident	89	Confident	15 Å²	15	27.1 Å²	27.1	9%	0.091	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	159.5	176.7	-66.6	0	0	0	0	109.2	I316 Y345 L353	I316-V359 HydrophobicContact CD1-CB 3.99Å; I316-V359 HydrophobicContact CD1-CG1 3.57Å; I316-V359 HydrophobicContact CD1-CG2 3.21Å; Y345-V359 HydrophobicContact CD1-CG2 3.66Å; Y345-V359 HydrophobicContact CD2-CG2 4.44Å; Y345-V359 HydrophobicContact CE1-CB 4.28Å; Y345-V359 HydrophobicContact CE1-CG2 3.28Å; Y345-V359 HydrophobicContact CE2-CG2 4.11Å; Y345-V359 HydrophobicContact CG-CG2 4.24Å; L353-V359 CarbonylContact O-C 3.57Å; L353-V359 VanDerWaalsContact O-CA 3.3Å; L353-V359 WeakPolarHBondContact O-CA 3.37Å
360	K	90.8	Very high	89.3	Confident	43 Å²	43	26.9 Å²	26.9	19%	0.187	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	163.4	169.7	69	175.6	-176.9	150.6	0	109.4	S114 D115 L353 T355	S114-K360 VanDerWaalsContact OG-CE 3.24Å; S114-K360 WeakPolarHBondContact OG-CE 3.34Å; S114-K360 PolarHBondContact OG-NZ 3.25Å; D115-K360 IonicContact OD1-NZ 3.52Å; D115-K360 PolarHBondContact OD1-NZ 2.84Å; D115-K360 IonicContact OD2-NZ 3.77Å; D115-K360 PolarHBondContact OD2-NZ 3.14Å; L353-K360 HydrophobicContact CB-CG 3.8Å; L353-K360 HydrophobicContact CD1-CG 4.36Å; L353-K360 PolarHBondContact N-O 3.3Å; L353-K360 PolarHBondContact O-N 2.95Å; T355-K360 HydrophobicContact CG2-CB 3.96Å; T355-K360 HydrophobicContact CG2-CD 3.88Å; T355-K360 HydrophobicContact CG2-CG 3.68Å
361	C	91.6	Very high	89.4	Confident	18 Å²	18	32 Å²	32	12%	0.122	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	134.7	175.8	-59.3	0	0	0	0	110.7	Y345 C346 I351 H371 C373	Y345-C361 VanDerWaalsContact CD1-SG 3.53Å; Y345-C361 VanDerWaalsContact CE1-SG 3.54Å; C346-C361 WeakPolarHBondContact CA-SG 3.37Å; C346-C361 HydrophobicContact CB-CB 3.7Å; C346-C361 WeakPolarHBondContact CB-SG 3.23Å; C346-C361 WeakPolarHBondContact SG-CA 3.47Å; C346-C361 WeakPolarHBondContact SG-CB 3.03Å; C346-C361 CovalentContact SG-SG 2.02Å; C346-C361 PolarHBondContact SG-SG 2.87Å; I351-C361 CarbonylContact O-C 3.5Å; I351-C361 WeakPolarHBondContact O-CA 3.21Å; C361-H371 VanDerWaalsContact CB-O 3.29Å; C361-H371 WeakPolarHBondContact CB-O 3.39Å; C361-H371 PolarHBondContact SG-O 2.56Å; C361-H371 VanDerWaalsContact SG-O 3.41Å; C361-C373 VanDerWaalsContact CB-SG 3.55Å
362	A	91.5	Very high	89.6	Confident	7 Å²	7	31.6 Å²	31.6	6%	0.058	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	121	164.9	0	0	0	0	0	108.6	H259 G350 I351 L353 E364	H259-A362 WeakPolarHBondContact NE2-CB 3.04Å; G350-A362 CarbonylContact C-O 3.6Å; G350-A362 VanDerWaalsContact CA-O 3.26Å; G350-A362 WeakPolarHBondContact CA-O 3.44Å; I351-A362 HydrophobicContact CB-CB 4.13Å; I351-A362 PolarHBondContact N-O 2.04Å; I351-A362 PolarHBondContact O-N 3.39Å; L353-A362 HydrophobicContact CD1-CB 3.93Å; L353-A362 HydrophobicContact CG-CB 4.41Å; A362-E364 VanDerWaalsContact C-OE2 3.31Å; A362-E364 WeakPolarHBondContact CA-OE2 3.26Å; A362-E364 WeakPolarHBondContact CB-OE2 3.47Å
363	C	92.9	Very high	89.8	Confident	9 Å²	9	30.2 Å²	30.2	6%	0.061	16%	0.16	C	C	.	.			trans	-113.7	-3.4	-170.2	-53.2	0	0	0	0	113.4	L365 T366 F368 G370 C373	C363-L365 PolarHBondContact O-N 3.46Å; C363-T366 WeakPolarHBondContact O-CB 3.42Å; C363-T366 PolarHBondContact O-N 3.45Å; C363-T366 PolarHBondContact O-OG1 3.27Å; C363-F368 VanDerWaalsContact CB-O 3.31Å; C363-F368 WeakPolarHBondContact CB-O 3.28Å; C363-F368 VanDerWaalsContact O-O 3.13Å; C363-G370 PolarHBondContact SG-O 3.31Å; C363-C373 WeakPolarHBondContact CA-SG 3.27Å; C363-C373 HydrophobicContact CB-CB 3.7Å; C363-C373 WeakPolarHBondContact CB-SG 3.25Å; C363-C373 WeakPolarHBondContact SG-CA 3.46Å; C363-C373 WeakPolarHBondContact SG-CB 3.26Å; C363-C373 PolarHBondContact SG-N 3.4Å; C363-C373 VanDerWaalsContact SG-N 3.37Å; C363-C373 CovalentContact SG-SG 2.04Å; C363-C373 PolarHBondContact SG-SG 2.79Å
364	E	87.6	Confident	89.9	Confident	48 Å²	48	32.7 Å²	32.7	22%	0.224	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-28.7	-172.2	-60.7	82.8	173.5	0	0	112.7	Y258 H259 A362 L581	Y258-E364 HydrophobicContact CE1-CG 4.03Å; Y258-E364 WeakPolarHBondContact CE1-OE1 3.35Å; H259-E364 IonicContact CE1-OE1 2.88Å; H259-E364 IonicContact NE2-OE1 3.87Å; H259-E364 IonicContact NE2-OE2 2.93Å; A362-E364 VanDerWaalsContact C-OE2 3.31Å; A362-E364 WeakPolarHBondContact CA-OE2 3.26Å; A362-E364 WeakPolarHBondContact CB-OE2 3.47Å; E364-L581 HydrophobicContact CB-CD2 4.36Å; E364-L581 HydrophobicContact CG-CD1 4.33Å
365	L	86.8	Confident	90.3	Very high	37 Å²	37	35.1 Å²	35.1	19%	0.194	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	16.3	-179.3	-54.1	-178.6	0	0	0	113.9	C363 E430 I432 R519 Y576	C363-L365 PolarHBondContact O-N 3.46Å; L365-E430 WeakPolarHBondContact CD1-OE1 3.29Å; L365-E430 WeakPolarHBondContact CD2-OE1 3.34Å; L365-I432 HydrophobicContact CB-CD1 3.61Å; L365-I432 HydrophobicContact CD2-CD1 3.64Å; L365-I432 HydrophobicContact CG-CD1 4.19Å; L365-I432 WeakPolarHBondContact O-CD1 3.3Å; L365-R519 PolarHBondContact O-NH2 2.93Å; L365-Y576 HydrophobicContact CD2-CD1 3.98Å; L365-Y576 HydrophobicContact CD2-CD2 4.18Å; L365-Y576 HydrophobicContact CD2-CE1 3.65Å; L365-Y576 HydrophobicContact CD2-CE2 3.83Å; L365-Y576 HydrophobicContact CD2-CG 4.23Å
366	T	91.8	Very high	90.7	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.006	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107	-20.4	-173.2	70.1	0	0	0	0	114.2	N348 C363 F368 C373 R517	N348-T366 WeakPolarHBondContact O-CB 3.45Å; N348-T366 WeakPolarHBondContact O-CG2 3.34Å; C363-T366 WeakPolarHBondContact O-CB 3.42Å; C363-T366 PolarHBondContact O-N 3.45Å; C363-T366 PolarHBondContact O-OG1 3.27Å; T366-F368 VanDerWaalsContact O-CD2 3.3Å; T366-F368 WeakPolarHBondContact O-CD2 3.31Å; T366-F368 PolarHBondContact O-N 3.2Å; T366-F368 WeakPolarHBondContact OG1-CA 3.33Å; T366-F368 WeakPolarHBondContact OG1-CB 3.33Å; T366-F368 PolarHBondContact OG1-N 3.43Å; T366-F368 PolarHBondContact OG1-O 2.98Å; T366-F368 VanDerWaalsContact OG1-O 3.1Å; T366-C373 HydrophobicContact CG2-CB 4.29Å; T366-R517 WeakPolarHBondContact O-CD 3.33Å
367	T	96	Very high	91.3	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.018	18%	0.176	C	C	.	.	S	Bend	trans	69.2	-2.6	-158.8	73.1	0	0	0	0	115.3	G377 I432 Y515 R517 T573	T367-G377 PolarHBondContact O-N 3.28Å; T367-I432 HydrophobicContact CG2-CG2 3.42Å; T367-I432 VanDerWaalsContact CG2-CG2 3.42Å; T367-Y515 VanDerWaalsContact CB-OH 3.24Å; T367-Y515 WeakPolarHBondContact CB-OH 3.37Å; T367-Y515 PolarHBondContact OG1-OH 2.97Å; T367-R517 HydrophobicContact CG2-CG 3.92Å; T367-T573 WeakPolarHBondContact O-CG2 2.79Å
368	F	95.2	Very high	91.9	Very high	13 Å²	13	28.5 Å²	28.5	6%	0.057	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	172.9	176.5	-65	-98.9	0	0	0	110.8	N348 C363 T366 C373 K375 Y515 P611	N348-F368 HydrophobicContact CB-CB 4.39Å; N348-F368 HydrophobicContact CB-CD2 3.54Å; N348-F368 HydrophobicContact CB-CE2 4Å; N348-F368 HydrophobicContact CB-CG 4.06Å; N348-F368 VanDerWaalsContact CG-CD2 3.45Å; N348-F368 VanDerWaalsContact ND2-CD1 3.34Å; N348-F368 WeakPolarHBondContact ND2-CD1 3.3Å; N348-F368 WeakPolarHBondContact ND2-CD2 3.5Å; N348-F368 WeakPolarHBondContact ND2-CG 3.1Å; C363-F368 VanDerWaalsContact CB-O 3.31Å; C363-F368 WeakPolarHBondContact CB-O 3.28Å; C363-F368 VanDerWaalsContact O-O 3.13Å; T366-F368 VanDerWaalsContact O-CD2 3.3Å; T366-F368 WeakPolarHBondContact O-CD2 3.31Å; T366-F368 PolarHBondContact O-N 3.2Å; T366-F368 WeakPolarHBondContact OG1-CA 3.33Å; T366-F368 WeakPolarHBondContact OG1-CB 3.33Å; T366-F368 PolarHBondContact OG1-N 3.43Å; T366-F368 PolarHBondContact OG1-O 2.98Å; T366-F368 VanDerWaalsContact OG1-O 3.1Å; F368-C373 HydrophobicContact CB-CB 4.35Å; F368-C373 WeakPolarHBondContact CB-O 2.86Å; F368-K375 CarbonylContact C-O 3.51Å; F368-K375 WeakPolarHBondContact CA-O 3.05Å; F368-K375 VanDerWaalsContact CB-O 3.25Å; F368-K375 WeakPolarHBondContact CB-O 3.32Å; F368-K375 WeakPolarHBondContact CD1-O 3.46Å; F368-Y515 AromaticContact CE2-CE1 3.98Å; F368-Y515 HydrophobicContact CE2-CE1 3.98Å; F368-Y515 HydrophobicContact CZ-CD1 4.44Å; F368-Y515 AromaticContact CZ-CE1 3.84Å; F368-Y515 HydrophobicContact CZ-CE1 3.84Å; F368-P611 HydrophobicContact CE1-CG 4.31Å
369	D	92.3	Very high	92.4	Very high	78 Å²	78	27.8 Å²	27.8	42%	0.417	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	-177.6	-175.4	-172.9	18.7	0	0	0	109.8	C373 M374 K375	D369-C373 CarbonylContact O-C 3.53Å; D369-C373 VanDerWaalsContact O-C 3.29Å; D369-C373 VanDerWaalsContact O-CA 3.26Å; D369-C373 WeakPolarHBondContact O-CA 3.49Å; D369-M374 PolarHBondContact O-N 2.8Å; D369-K375 PolarHBondContact N-O 3.46Å; D369-K375 PolarHBondContact O-N 3.34Å
370	G	91	Very high	92.7	Very high	21 Å²	21	27 Å²	27	22%	0.216	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	169.7	-176.3	0	0	0	0	0	112.4	C363 R372 C373	C363-G370 PolarHBondContact SG-O 3.31Å; G370-R372 PolarHBondContact O-N 2.81Å; G370-C373 PolarHBondContact O-N 3.38Å
371	H	91.5	Very high	92.9	Very high	120 Å²	120	25 Å²	25	56%	0.556	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-32.9	-169.2	-168.9	-26.9	0	0	0	114	Y345 C361	Y345-H371 PolarHBondContact OH-CE1 2.84Å; Y345-H371 PolarHBondContact OH-ND1 2.93Å; C361-H371 VanDerWaalsContact CB-O 3.29Å; C361-H371 WeakPolarHBondContact CB-O 3.39Å; C361-H371 PolarHBondContact SG-O 2.56Å; C361-H371 VanDerWaalsContact SG-O 3.41Å
372	R	92.4	Very high	93	Very high	41 Å²	41	24.2 Å²	24.2	16%	0.155	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.6	19.2	179.4	-58.9	178.5	59.2	-164.1	-5.9	113.3	Y345 L347 G370 M374	Y345-R372 HydrophobicContact CE1-CG 4.34Å; Y345-R372 HydrophobicContact CE2-CG 4.34Å; Y345-R372 PolarHBondContact O-NE 3.17Å; Y345-R372 PolarHBondContact O-NH2 2.86Å; Y345-R372 VanDerWaalsContact O-NH2 3.12Å; L347-R372 WeakPolarHBondContact CB-O 3.41Å; L347-R372 PolarHBondContact N-O 3.48Å; G370-R372 PolarHBondContact O-N 2.81Å; R372-M374 VanDerWaalsContact C-N 3.26Å; R372-M374 HydrophobicContact CB-CE 3.7Å; R372-M374 HydrophobicContact CG-CE 4.03Å; R372-M374 PolarHBondContact O-N 2.68Å
373	C	94	Very high	92.4	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	39	-174.3	-41.9	0	0	0	0	112.7	L347 N348 C361 C363 T366 F368 D369 G370	L347-C373 WeakPolarHBondContact O-CB 3.44Å; N348-C373 PolarHBondContact ND2-O 2.72Å; C361-C373 VanDerWaalsContact CB-SG 3.55Å; C363-C373 WeakPolarHBondContact CA-SG 3.27Å; C363-C373 HydrophobicContact CB-CB 3.7Å; C363-C373 WeakPolarHBondContact CB-SG 3.25Å; C363-C373 WeakPolarHBondContact SG-CA 3.46Å; C363-C373 WeakPolarHBondContact SG-CB 3.26Å; C363-C373 PolarHBondContact SG-N 3.4Å; C363-C373 VanDerWaalsContact SG-N 3.37Å; C363-C373 CovalentContact SG-SG 2.04Å; C363-C373 PolarHBondContact SG-SG 2.79Å; T366-C373 HydrophobicContact CG2-CB 4.29Å; F368-C373 HydrophobicContact CB-CB 4.35Å; F368-C373 WeakPolarHBondContact CB-O 2.86Å; D369-C373 CarbonylContact O-C 3.53Å; D369-C373 VanDerWaalsContact O-C 3.29Å; D369-C373 VanDerWaalsContact O-CA 3.26Å; D369-C373 WeakPolarHBondContact O-CA 3.49Å; G370-C373 PolarHBondContact O-N 3.38Å
374	M	91.1	Very high	91.4	Very high	54 Å²	54	24 Å²	24	27%	0.266	13%	0.125	S	C	.	.			trans	-95	-30.5	-175.8	71.8	178.3	67.3	0	0	112.3	L347 D369 R372 Y625	L347-M374 HydrophobicContact CD1-CB 4.01Å; D369-M374 PolarHBondContact O-N 2.8Å; R372-M374 VanDerWaalsContact C-N 3.26Å; R372-M374 HydrophobicContact CB-CE 3.7Å; R372-M374 HydrophobicContact CG-CE 4.03Å; R372-M374 PolarHBondContact O-N 2.68Å; M374-Y625 HydrophobicContact CB-CD1 4.36Å; M374-Y625 HydrophobicContact CB-CE1 4Å; M374-Y625 WeakPolarHBondContact O-CD1 3.36Å; M374-Y625 WeakPolarHBondContact O-CE1 3.45Å
375	K	91.6	Very high	90.1	Very high	53 Å²	53	24.4 Å²	24.4	23%	0.23	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	144.3	-174.7	-60	-168.5	178.4	-165.8	0	108.9	F368 D369 G377 N627	F368-K375 CarbonylContact C-O 3.51Å; F368-K375 WeakPolarHBondContact CA-O 3.05Å; F368-K375 VanDerWaalsContact CB-O 3.25Å; F368-K375 WeakPolarHBondContact CB-O 3.32Å; F368-K375 WeakPolarHBondContact CD1-O 3.46Å; D369-K375 PolarHBondContact N-O 3.46Å; D369-K375 PolarHBondContact O-N 3.34Å; K375-G377 PolarHBondContact O-N 3.47Å; K375-N627 PolarHBondContact NZ-O 3.35Å; K375-N627 VanDerWaalsContact NZ-O 3.13Å
376	A	93.4	Very high	88.6	Confident	12 Å²	12	27.2 Å²	27.2	10%	0.099	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	140.5	170.7	0	0	0	0	0	110.2	T573 F609 P611	A376-T573 HydrophobicContact CB-CG2 4.1Å; A376-F609 HydrophobicContact CB-CD1 3.87Å; A376-P611 HydrophobicContact CB-CG 4.4Å
377	G	95.1	Very high	86.6	Confident	6 Å²	6	33.7 Å²	33.7	6%	0.062	18%	0.178	C	C	.	.			trans	-64.5	-178.8	176.1	0	0	0	0	0	112.6	T367 K375 T379	T367-G377 PolarHBondContact O-N 3.28Å; K375-G377 PolarHBondContact O-N 3.47Å; G377-T379 PolarHBondContact O-N 2.94Å; G377-T379 PolarHBondContact O-OG1 2.74Å
378	T	96.9	Very high	84.5	Confident	3 Å²	3	35 Å²	35	2%	0.018	19%	0.188	C	C	.	.	S	Bend	trans	-55.9	125.3	174.2	-58.7	0	0	0	0	110.4	G574 N583 D584 A587 L589 H605	T378-G574 PolarHBondContact O-N 3.48Å; T378-N583 HydrophobicContact CG2-CB 3.96Å; T378-N583 WeakPolarHBondContact CG2-O 3.32Å; T378-N583 WeakPolarHBondContact O-CB 3.29Å; T378-N583 PolarHBondContact O-ND2 3.26Å; T378-D584 WeakPolarHBondContact CB-OD1 3.43Å; T378-D584 PolarHBondContact OG1-OD1 2.89Å; T378-A587 HydrophobicContact CG2-CB 3.69Å; T378-L589 HydrophobicContact CG2-CD1 3.93Å; T378-L589 WeakPolarHBondContact OG1-CD1 3.16Å; T378-H605 WeakPolarHBondContact CG2-NE2 3.47Å
379	T	97.6	Very high	82.4	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	134.7	-167.6	-61.9	0	0	0	0	111	G377 Y571 M572 T573 H605 I606 F609	G377-T379 PolarHBondContact O-N 2.94Å; G377-T379 PolarHBondContact O-OG1 2.74Å; T379-Y571 HydrophobicContact CG2-CD1 4.05Å; T379-Y571 HydrophobicContact CG2-CG 4.47Å; T379-M572 WeakPolarHBondContact CA-O 3.45Å; T379-T573 VanDerWaalsContact CG2-OG1 3.3Å; T379-T573 WeakPolarHBondContact CG2-OG1 3.34Å; T379-T573 WeakPolarHBondContact OG1-CB 3.41Å; T379-T573 VanDerWaalsContact OG1-CG2 3.28Å; T379-T573 WeakPolarHBondContact OG1-CG2 3.38Å; T379-T573 PolarHBondContact OG1-OG1 3.38Å; T379-H605 PolarHBondContact O-CD2 2.8Å; T379-H605 VanDerWaalsContact O-CD2 3.31Å; T379-I606 PolarHBondContact O-N 2.9Å; T379-F609 HydrophobicContact CG2-CB 3.95Å; T379-F609 HydrophobicContact CG2-CD1 3.81Å; T379-F609 HydrophobicContact CG2-CD2 4.16Å; T379-F609 HydrophobicContact CG2-CE1 4.35Å; T379-F609 HydrophobicContact CG2-CG 3.7Å; T379-F609 WeakPolarHBondContact OG1-CD1 3.14Å
380	F	96.5	Very high	80	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	139.4	169.4	-83.3	-94.1	0	0	0	110.2	Y382 L415 Y571 M572 N583 A586 A587 V603 K604 H605	F380-Y382 HydrophobicContact CB-CD2 4.3Å; F380-Y382 HydrophobicContact CB-CE2 3.52Å; F380-L415 HydrophobicContact CD1-CD1 4.45Å; F380-L415 HydrophobicContact CD2-CD1 4.48Å; F380-L415 HydrophobicContact CG-CD1 4.37Å; F380-Y571 CarbonylContact O-C 3.12Å; F380-Y571 WeakPolarHBondContact O-CA 3.39Å; F380-M572 PolarHBondContact N-O 2.88Å; F380-M572 PolarHBondContact O-N 3.3Å; F380-N583 HydrophobicContact CD2-CB 4.23Å; F380-N583 HydrophobicContact CE2-CB 4.42Å; F380-N583 WeakPolarHBondContact CE2-O 3.48Å; F380-A586 HydrophobicContact CE2-CB 3.86Å; F380-A586 HydrophobicContact CZ-CB 3.88Å; F380-A587 HydrophobicContact CE2-CB 3.94Å; F380-A587 HydrophobicContact CZ-CB 4.04Å; F380-V603 HydrophobicContact CB-CG1 4.2Å; F380-V603 HydrophobicContact CD1-CG1 3.44Å; F380-V603 VanDerWaalsContact CD1-CG1 3.44Å; F380-V603 HydrophobicContact CE1-CG1 4.15Å; F380-V603 HydrophobicContact CG-CG1 4.17Å; F380-K604 CarbonylContact C-O 3.48Å; F380-K604 VanDerWaalsContact CA-O 3.27Å; F380-K604 WeakPolarHBondContact CA-O 3.44Å; F380-K604 VanDerWaalsContact CD1-C 3.4Å; F380-K604 WeakPolarHBondContact CD1-O 3.45Å; F380-H605 HydrophobicContact CD1-CB 4.17Å; F380-H605 HydrophobicContact CE1-CB 3.69Å; F380-H605 HydrophobicContact CE2-CB 4.22Å; F380-H605 HydrophobicContact CZ-CB 3.72Å
381	V	94.6	Very high	77.4	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	138.4	168	68.1	0	0	0	0	109.2	I384 F438 Y571 V603 K604 I606	V381-I384 HydrophobicContact CG2-CB 4.22Å; V381-I384 HydrophobicContact CG2-CD1 4.49Å; V381-F438 HydrophobicContact CG2-CE1 4.2Å; V381-F438 HydrophobicContact CG2-CZ 3.61Å; V381-Y571 HydrophobicContact CB-CD1 3.84Å; V381-Y571 HydrophobicContact CB-CE1 3.76Å; V381-Y571 HydrophobicContact CG2-CD1 3.93Å; V381-Y571 HydrophobicContact CG2-CE1 3.59Å; V381-V603 WeakPolarHBondContact O-CA 3.26Å; V381-K604 HydrophobicContact CG1-CB 3.81Å; V381-K604 PolarHBondContact N-O 3.31Å; V381-K604 PolarHBondContact O-N 3.48Å; V381-K604 VanDerWaalsContact O-N 3.11Å; V381-I606 HydrophobicContact CB-CD1 4.48Å; V381-I606 HydrophobicContact CB-CG1 3.99Å; V381-I606 HydrophobicContact CG1-CD1 3.82Å; V381-I606 HydrophobicContact CG1-CG1 3.82Å
382	Y	92.9	Very high	75.2	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	124.1	-178.6	-63.6	-107.9	0	0	0	109.1	F380 L415 F438 F568 H569 G570 M572 V603	F380-Y382 HydrophobicContact CB-CD2 4.3Å; F380-Y382 HydrophobicContact CB-CE2 3.52Å; Y382-L415 HydrophobicContact CE1-CG 4.25Å; Y382-L415 VanDerWaalsContact OH-CD1 3.31Å; Y382-L415 WeakPolarHBondContact OH-CD1 3.47Å; Y382-F438 VanDerWaalsContact O-CE2 3.24Å; Y382-F438 WeakPolarHBondContact O-CE2 3.4Å; Y382-F568 VanDerWaalsContact CB-O 3.26Å; Y382-F568 WeakPolarHBondContact CB-O 3.38Å; Y382-F568 HydrophobicContact CD2-CD1 4.05Å; Y382-F568 HydrophobicContact CD2-CE1 4.27Å; Y382-F568 AromaticContact CG-CD1 3.99Å; Y382-F568 HydrophobicContact CG-CD1 3.99Å; Y382-H569 WeakPolarHBondContact O-CA 3.35Å; Y382-G570 PolarHBondContact N-O 3.36Å; Y382-G570 PolarHBondContact O-N 2.89Å; Y382-M572 HydrophobicContact CD2-CB 4.47Å; Y382-M572 HydrophobicContact CD2-CG 4.09Å; Y382-M572 HydrophobicContact CE2-CB 3.74Å; Y382-M572 HydrophobicContact CE2-CG 3.64Å; Y382-M572 HydrophobicContact CE2-SD 3.99Å; Y382-V603 HydrophobicContact CD1-CG1 4.25Å; Y382-V603 HydrophobicContact CD1-CG2 3.7Å; Y382-V603 HydrophobicContact CE1-CG1 4Å; Y382-V603 HydrophobicContact CE1-CG2 4.01Å; Y382-V603 HydrophobicContact CG-CG2 4.4Å
383	G	79.7	Confident	72.8	Confident	4 Å²	4	43.6 Å²	43.6	4%	0.041	23%	0.228	C	C	.	.	S	Bend	trans	79.4	35.4	169.3	0	0	0	0	0	117	N411 N602	G383-N411 WeakPolarHBondContact CA-O 3.4Å; G383-N602 PolarHBondContact N-O 3.39Å; G383-N602 VanDerWaalsContact N-O 3.09Å
384	I	70.9	Confident	70.3	Confident	9 Å²	9	49.4 Å²	49.4	5%	0.046	26%	0.259	C	S	.	.			trans	-131.1	123.4	175.8	-91.7	-176.6	0	0	0	111.9	V381 S388 I389 F438 N602	V381-I384 HydrophobicContact CG2-CB 4.22Å; V381-I384 HydrophobicContact CG2-CD1 4.49Å; I384-S388 WeakPolarHBondContact CG2-OG 3.33Å; I384-I389 HydrophobicContact CG2-CD1 3.88Å; I384-I389 HydrophobicContact CG2-CG1 3.25Å; I384-F438 HydrophobicContact CB-CE2 4.31Å; I384-F438 HydrophobicContact CB-CZ 4.24Å; I384-F438 HydrophobicContact CD1-CD1 3.78Å; I384-F438 HydrophobicContact CD1-CD2 3.84Å; I384-F438 HydrophobicContact CD1-CE1 3.27Å; I384-F438 HydrophobicContact CD1-CE2 3.36Å; I384-F438 HydrophobicContact CD1-CG 4.07Å; I384-F438 HydrophobicContact CD1-CZ 3.07Å; I384-F438 HydrophobicContact CG1-CD2 3.99Å; I384-F438 HydrophobicContact CG1-CE1 4.21Å; I384-F438 HydrophobicContact CG1-CE2 3.36Å; I384-F438 HydrophobicContact CG1-CZ 3.51Å; I384-N602 VanDerWaalsContact O-CG 3.27Å; I384-N602 PolarHBondContact O-ND2 2.99Å; I384-N602 PolarHBondContact O-OD1 2.83Å
385	N	60.4	Low	67.6	Low	56 Å²	56	50.5 Å²	50.5	30%	0.299	27%	0.266	S	S	.	.			trans	-73.3	150.6	170.9	-67.9	-9.9	0	0	0	110.7	D387 S388 D410 N602	N385-D387 PolarHBondContact O-N 2.81Å; N385-S388 PolarHBondContact O-N 2.94Å; N385-S388 PolarHBondContact O-OG 3.09Å; N385-D410 WeakPolarHBondContact ND2-CB 3.45Å; N385-D410 PolarHBondContact OD1-O 3.41Å; N385-N602 PolarHBondContact N-ND2 2.82Å; N385-N602 PolarHBondContact OD1-ND2 2.85Å
386	D	55	Low	65.1	Low	95 Å²	95	55.3 Å²	55.3	51%	0.508	29%	0.294	S	S	.	.	H	α-helix	trans	-54.6	-31.8	-174.4	-70.9	-46	0	0	0	113.2	S388 I389 K604	D386-S388 VanDerWaalsContact C-N 3.28Å; D386-S388 PolarHBondContact O-N 3.39Å; D386-I389 PolarHBondContact O-N 3.43Å; D386-K604 IonicContact OD1-NZ 3.79Å; D386-K604 PolarHBondContact OD1-NZ 2.81Å; D386-K604 IonicContact OD2-NZ 2.78Å; D386-K604 PolarHBondContact OD2-NZ 2.81Å
387	D	50.2	Low	62.2	Low	137 Å²	137	61.8 Å²	61.8	73%	0.733	33%	0.327	S	S	*	.	H	α-helix	trans	-64.5	-28.3	179	-59.5	-25.6	0	0	0	113.4	N385	N385-D387 PolarHBondContact O-N 2.81Å
388	S	52.1	Low	59.2	Low	32 Å²	32	66.1 Å²	66.1	22%	0.224	35%	0.348	C	S	.	.	H	α-helix	trans	-87.3	-18.8	-178.8	60.2	0	0	0	0	114	I384 N385 D386 I390 N391 Y392	I384-S388 WeakPolarHBondContact CG2-OG 3.33Å; N385-S388 PolarHBondContact O-N 2.94Å; N385-S388 PolarHBondContact O-OG 3.09Å; D386-S388 VanDerWaalsContact C-N 3.28Å; D386-S388 PolarHBondContact O-N 3.39Å; S388-I390 VanDerWaalsContact C-N 3.33Å; S388-I390 PolarHBondContact O-N 2.79Å; S388-N391 PolarHBondContact O-N 2.94Å; S388-Y392 PolarHBondContact O-N 2.74Å
389	I	50.3	Low	56.1	Low	40 Å²	40	69.9 Å²	69.9	21%	0.205	38%	0.375	C	S	.	.	H	α-helix	trans	-64.5	-40.2	174.7	-60.1	177	0	0	0	110.7	I384 D386 N393	I384-I389 HydrophobicContact CG2-CD1 3.88Å; I384-I389 HydrophobicContact CG2-CG1 3.25Å; D386-I389 PolarHBondContact O-N 3.43Å; I389-N393 PolarHBondContact O-N 3.48Å
390	I	42.2	Very low	52.9	Low	115 Å²	115	76.8 Å²	76.8	59%	0.59	41%	0.411	S	S	*	.	H	α-helix	trans	-67.5	-39.1	-179.1	-59.8	175.3	0	0	0	110.6	S388 N394	S388-I390 VanDerWaalsContact C-N 3.33Å; S388-I390 PolarHBondContact O-N 2.79Å; I390-N394 PolarHBondContact O-N 3.08Å
391	N	36.5	Very low	49.7	Very low	78 Å²	78	84.6 Å²	84.6	42%	0.417	45%	0.448	S	S	.	.	H	α-helix	trans	-75.9	-33.3	-179.6	-107.6	-5.1	0	0	0	113.4	S388 N394 N395	S388-N391 PolarHBondContact O-N 2.94Å; N391-N394 PolarHBondContact O-N 3.05Å; N391-N395 PolarHBondContact O-N 3.45Å
392	Y	45.3	Very low	46.8	Very low	101 Å²	101	91.4 Å²	91.4	40%	0.396	48%	0.478	S	S	.	.	H	α-helix	trans	-69.4	-34.8	179.4	-137.7	-92.8	0	0	0	112.5	S388 Y439	S388-Y392 PolarHBondContact O-N 2.74Å; Y392-Y439 WeakPolarHBondContact OH-CB 3.43Å; Y392-Y439 PolarHBondContact OH-N 3.13Å
393	N	42.7	Very low	43.7	Very low	118 Å²	118	99.6 Å²	99.6	63%	0.631	52%	0.521	S	S	*	.	H	α-helix	trans	-78.3	-22.3	179.5	-75.5	-19.1	0	0	0	113.6	I389	I389-N393 PolarHBondContact O-N 3.48Å
394	N	40.5	Very low	41.6	Very low	122 Å²	122	106.6 Å²	106.6	65%	0.652	55%	0.553	S	S	*	*	H	α-helix	trans	-97.8	-16.9	-177.1	-80.1	-16.7	0	0	0	114.7	I390 N391	I390-N394 PolarHBondContact O-N 3.08Å; N391-N394 PolarHBondContact O-N 3.05Å
395	N	34.3	Very low	39.7	Very low	77 Å²	77	112.8 Å²	112.8	41%	0.412	59%	0.591	S	S	.	*			trans	-126.2	78.8	-171.4	-71.3	-28.9	0	0	0	113.5	N391 N397	N391-N395 PolarHBondContact O-N 3.45Å; N395-N397 PolarHBondContact O-N 2.74Å
396	N	40.4	Very low	38.6	Very low	154 Å²	154	114.1 Å²	114.1	82%	0.824	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	6.3	165.4	-83.8	-32.4	0	0	0	113.8
397	N	32.1	Very low	37.9	Very low	149 Å²	149	112.9 Å²	112.9	80%	0.797	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.1	14.7	-172.2	-83.3	-18.7	0	0	0	116.1	N395	N395-N397 PolarHBondContact O-N 2.74Å
398	L	31.9	Very low	37.8	Very low	97 Å²	97	112.6 Å²	112.6	51%	0.508	60%	0.595	S	S	.	*			trans	-108.8	71.6	173.1	-104.5	86.9	0	0	0	112.1	E401	L398-E401 HydrophobicContact CD2-CB 4.34Å
399	S	31.4	Very low	37.7	Very low	82 Å²	82	118.5 Å²	118.5	57%	0.573	62%	0.618	S	S	*	*			trans	-67.8	120.3	142.4	55.1	0	0	0	0	106.7
400	N	30.7	Very low	37.9	Very low	145 Å²	145	120.3 Å²	120.3	78%	0.775	63%	0.628	S	S	*	*	S	Bend	trans	98.7	67.8	179.5	-47.1	-26.4	0	0	0	114.9
401	E	29.2	Very low	39.1	Very low	165 Å²	165	116.4 Å²	116.4	77%	0.771	61%	0.609	S	S	*	*			trans	172.8	74.4	143.2	-98.9	172.7	-173.3	0	0	110	L398	L398-E401 HydrophobicContact CD2-CB 4.34Å
402	F	34.1	Very low	41	Very low	144 Å²	144	114.6 Å²	114.6	63%	0.632	60%	0.599	S	S	*	*			trans	-133.4	66.6	162.9	-104.2	-83.4	0	0	0	108.6	H404	F402-H404 VanDerWaalsContact C-N 3.28Å
403	N	28.3	Very low	43.1	Very low	171 Å²	171	109.8 Å²	109.8	91%	0.914	58%	0.58	S	S	*	*			trans	-95.7	47	164.7	-82.2	-12.4	0	0	0	110
404	H	35.5	Very low	45.6	Very low	152 Å²	152	105.9 Å²	105.9	70%	0.704	56%	0.557	S	S	*	*			trans	-85.8	116.6	164.5	-108.5	-71.2	0	0	0	108.1	F402 I406	F402-H404 VanDerWaalsContact C-N 3.28Å; H404-I406 PolarHBondContact O-N 2.81Å
405	T	30.5	Very low	48.3	Very low	138 Å²	138	100 Å²	100	85%	0.847	53%	0.525	S	S	*	.			trans	-60.8	88.5	162.3	44.3	0	0	0	0	108	S407	T405-S407 PolarHBondContact O-N 2.81Å
406	I	38.6	Very low	51.3	Low	84 Å²	84	99.5 Å²	99.5	43%	0.431	52%	0.518	S	S	.	.			trans	-72.8	119.1	175.2	-60.7	161.9	0	0	0	106.9	H404 N408 N411	H404-I406 PolarHBondContact O-N 2.81Å; I406-N408 PolarHBondContact O-N 3.12Å; I406-N408 VanDerWaalsContact O-N 3.12Å; I406-N411 VanDerWaalsContact CG2-ND2 3.28Å; I406-N411 WeakPolarHBondContact CG2-ND2 3.39Å
407	S	39	Very low	54	Low	70 Å²	70	92.3 Å²	92.3	49%	0.49	48%	0.479	S	S	.	.			trans	-53.1	117.3	164.8	20.4	0	0	0	0	108.2	T405 H409 D410	T405-S407 PolarHBondContact O-N 2.81Å; S407-H409 PolarHBondContact O-N 2.81Å; S407-D410 PolarHBondContact O-N 2.87Å; S407-D410 VanDerWaalsContact O-N 3.12Å; S407-D410 PolarHBondContact OG-OD2 2.97Å
408	N	48.5	Very low	57.1	Low	131 Å²	131	86 Å²	86	70%	0.701	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-6	-175.9	-91.4	-5.2	0	0	0	115.6	I406 I412	I406-N408 PolarHBondContact O-N 3.12Å; I406-N408 VanDerWaalsContact O-N 3.12Å; N408-I412 WeakPolarHBondContact O-CD1 3.41Å
409	H	50.7	Low	60.1	Low	155 Å²	155	82.1 Å²	82.1	72%	0.718	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-21.8	179.4	-75.2	-13.5	0	0	0	114.8	S407 N411	S407-H409 PolarHBondContact O-N 2.81Å; H409-N411 VanDerWaalsContact C-N 3.34Å; H409-N411 PolarHBondContact O-N 2.9Å
410	D	54.3	Low	63	Low	78 Å²	78	84.1 Å²	84.1	42%	0.417	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-16.7	-172.4	-57.4	-36.9	0	0	0	113	N385 S407 N602	N385-D410 WeakPolarHBondContact ND2-CB 3.45Å; N385-D410 PolarHBondContact OD1-O 3.41Å; S407-D410 PolarHBondContact O-N 2.87Å; S407-D410 VanDerWaalsContact O-N 3.12Å; S407-D410 PolarHBondContact OG-OD2 2.97Å; D410-N602 PolarHBondContact O-ND2 2.86Å
411	N	66.1	Low	65.7	Low	34 Å²	34	80.1 Å²	80.1	18%	0.182	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	5	179.1	-66.6	-3.5	0	0	0	113.7	G383 I406 H409 G413	G383-N411 WeakPolarHBondContact CA-O 3.4Å; I406-N411 VanDerWaalsContact CG2-ND2 3.28Å; I406-N411 WeakPolarHBondContact CG2-ND2 3.39Å; H409-N411 VanDerWaalsContact C-N 3.34Å; H409-N411 PolarHBondContact O-N 2.9Å; N411-G413 PolarHBondContact O-N 3.32Å
412	I	78.2	Confident	68.5	Low	39 Å²	39	77.3 Å²	77.3	20%	0.2	38%	0.384	C	S	.	.			trans	-82.1	122.4	-177.1	-66.9	176.6	0	0	0	109.1	N408 Y414 F567 G601 N602	N408-I412 WeakPolarHBondContact O-CD1 3.41Å; I412-Y414 HydrophobicContact CG2-CD1 4.27Å; I412-Y414 HydrophobicContact CG2-CE1 4.08Å; I412-F567 HydrophobicContact CB-CD1 4.43Å; I412-F567 HydrophobicContact CB-CE1 4.29Å; I412-F567 HydrophobicContact CB-CE2 4.39Å; I412-F567 HydrophobicContact CB-CZ 4.26Å; I412-F567 HydrophobicContact CD1-CE2 3.81Å; I412-F567 HydrophobicContact CD1-CZ 3.97Å; I412-F567 HydrophobicContact CG1-CD2 3.91Å; I412-F567 HydrophobicContact CG1-CE1 4.42Å; I412-F567 HydrophobicContact CG1-CE2 3.65Å; I412-F567 HydrophobicContact CG1-CG 4.39Å; I412-F567 HydrophobicContact CG1-CZ 3.94Å; I412-F567 HydrophobicContact CG2-CD1 3.69Å; I412-F567 HydrophobicContact CG2-CD2 4.45Å; I412-F567 HydrophobicContact CG2-CE1 3.25Å; I412-F567 HydrophobicContact CG2-CE2 4.06Å; I412-F567 HydrophobicContact CG2-CG 4.29Å; I412-F567 HydrophobicContact CG2-CZ 3.46Å; I412-F567 VanDerWaalsContact CG2-CZ 3.46Å; I412-G601 CarbonylContact O-C 3.41Å; I412-G601 WeakPolarHBondContact O-CA 3.47Å; I412-N602 PolarHBondContact O-N 3.48Å
413	G	88.9	Confident	71.1	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	131.8	176	0	0	0	0	0	113.3	N411 F600	N411-G413 PolarHBondContact O-N 3.32Å; G413-F600 WeakPolarHBondContact CA-O 3.33Å
414	Y	94.9	Very high	74	Confident	36 Å²	36	66.8 Å²	66.8	14%	0.141	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	164.8	172.1	56.9	-81.3	0	0	0	113.5	I412 W555 L556 H558 P560 F567 F600	I412-Y414 HydrophobicContact CG2-CD1 4.27Å; I412-Y414 HydrophobicContact CG2-CE1 4.08Å; Y414-W555 AromaticContact CD2-CE3 3.95Å; Y414-W555 HydrophobicContact CD2-CE3 3.95Å; Y414-W555 AromaticContact CD2-CZ3 3.84Å; Y414-W555 HydrophobicContact CD2-CZ3 3.84Å; Y414-W555 HydrophobicContact CE2-CE3 4.19Å; Y414-W555 AromaticContact CE2-CZ3 3.61Å; Y414-W555 HydrophobicContact CE2-CZ3 3.61Å; Y414-L556 WeakPolarHBondContact CA-O 3.47Å; Y414-L556 VanDerWaalsContact CB-O 3.26Å; Y414-L556 WeakPolarHBondContact CB-O 3.21Å; Y414-H558 HydrophobicContact CD1-CB 4.02Å; Y414-H558 HydrophobicContact CG-CB 3.91Å; Y414-P560 HydrophobicContact CE2-CG 3.74Å; Y414-F567 AromaticContact CD1-CD1 3.99Å; Y414-F567 HydrophobicContact CD1-CD1 3.99Å; Y414-F567 AromaticContact CD1-CE1 3.66Å; Y414-F567 HydrophobicContact CD1-CE1 3.66Å; Y414-F567 AromaticContact CE1-CE1 3.79Å; Y414-F567 HydrophobicContact CE1-CE1 3.79Å; Y414-F600 HydrophobicContact CD1-CB 3.91Å; Y414-F600 HydrophobicContact CD2-CB 3.88Å; Y414-F600 AromaticContact CD2-CD2 3.6Å; Y414-F600 HydrophobicContact CD2-CD2 3.6Å; Y414-F600 HydrophobicContact CD2-CE2 4.41Å; Y414-F600 AromaticContact CD2-CG 3.97Å; Y414-F600 HydrophobicContact CD2-CG 3.97Å; Y414-F600 HydrophobicContact CE1-CB 3.58Å; Y414-F600 HydrophobicContact CE1-CG 4.24Å; Y414-F600 HydrophobicContact CE2-CB 3.54Å; Y414-F600 HydrophobicContact CE2-CD1 4.09Å; Y414-F600 AromaticContact CE2-CD2 3.26Å; Y414-F600 HydrophobicContact CE2-CD2 3.26Å; Y414-F600 AromaticContact CE2-CE2 3.91Å; Y414-F600 HydrophobicContact CE2-CE2 3.91Å; Y414-F600 AromaticContact CE2-CG 3.36Å; Y414-F600 HydrophobicContact CE2-CG 3.36Å; Y414-F600 HydrophobicContact CG-CB 4.04Å; Y414-F600 AromaticContact CZ-CD2 3.95Å; Y414-F600 AromaticContact CZ-CG 3.52Å; Y414-F600 PolarHBondContact N-O 2.89Å; Y414-F600 PolarHBondContact O-N 3.33Å
415	L	96.7	Very high	76.6	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	148.2	177.1	-58.8	178	0	0	0	111.4	F380 Y382 W555 L556 A586 R599 V603	F380-L415 HydrophobicContact CD1-CD1 4.45Å; F380-L415 HydrophobicContact CD2-CD1 4.48Å; F380-L415 HydrophobicContact CG-CD1 4.37Å; Y382-L415 HydrophobicContact CE1-CG 4.25Å; Y382-L415 VanDerWaalsContact OH-CD1 3.31Å; Y382-L415 WeakPolarHBondContact OH-CD1 3.47Å; L415-W555 WeakPolarHBondContact O-CA 3.46Å; L415-L556 HydrophobicContact CB-CB 4.21Å; L415-L556 HydrophobicContact CD1-CD1 4.33Å; L415-L556 PolarHBondContact N-O 3.04Å; L415-L556 PolarHBondContact O-N 3.32Å; L415-A586 HydrophobicContact CD1-CB 3.86Å; L415-R599 HydrophobicContact CD2-CB 3.77Å; L415-R599 HydrophobicContact CD2-CG 3.52Å; L415-V603 HydrophobicContact CD1-CG1 4.29Å; L415-V603 HydrophobicContact CD2-CB 4.26Å; L415-V603 HydrophobicContact CD2-CG1 3.68Å; L415-V603 HydrophobicContact CG-CG1 3.9Å
416	R	97.1	Very high	79.5	Confident	65 Å²	65	56.7 Å²	56.7	25%	0.245	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	130.2	170.3	-173.8	-177.8	63.4	-172.2	-1.7	110.3	I418 V553 I554 W555 V597 T598 F600	R416-I418 HydrophobicContact CG-CD1 4.42Å; R416-I418 HydrophobicContact CG-CG1 4.07Å; R416-V553 HydrophobicContact CG-CG1 3.7Å; R416-I554 CarbonylContact C-O 3.56Å; R416-I554 WeakPolarHBondContact CA-O 3.37Å; R416-W555 HydrophobicContact CB-CD2 4.36Å; R416-W555 HydrophobicContact CB-CE3 3.65Å; R416-W555 HydrophobicContact CB-CH2 4.18Å; R416-W555 HydrophobicContact CB-CZ3 3.52Å; R416-W555 HydrophobicContact CG-CD2 4.11Å; R416-W555 HydrophobicContact CG-CE3 3.85Å; R416-W555 HydrophobicContact CG-CH2 3.89Å; R416-W555 HydrophobicContact CG-CZ2 4.08Å; R416-W555 HydrophobicContact CG-CZ3 3.71Å; R416-V597 CarbonylContact O-C 3.56Å; R416-V597 WeakPolarHBondContact O-CA 3.45Å; R416-T598 PolarHBondContact N-O 3.48Å; R416-T598 PolarHBondContact NE-OG1 3.07Å; R416-T598 PolarHBondContact NH2-OG1 3.25Å; R416-T598 PolarHBondContact O-N 3.33Å; R416-F600 HydrophobicContact CB-CE2 3.76Å
417	L	97.6	Very high	81.9	Confident	3 Å²	3	58 Å²	58	2%	0.016	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	134.9	169.6	-56.1	94	0	0	0	109.2	V553 I554 L556 L582 I585 I595 H596 V597	L417-V553 WeakPolarHBondContact O-CA 3.32Å; L417-I554 HydrophobicContact CB-CB 4.35Å; L417-I554 PolarHBondContact N-O 2.92Å; L417-I554 PolarHBondContact O-N 2.93Å; L417-L556 HydrophobicContact CD1-CD1 4.15Å; L417-L556 HydrophobicContact CD1-CG 4.46Å; L417-L582 HydrophobicContact CD1-CB 4.44Å; L417-L582 HydrophobicContact CD2-CB 4.22Å; L417-L582 HydrophobicContact CD2-CD2 3.87Å; L417-I585 HydrophobicContact CD2-CG2 4.36Å; L417-I595 HydrophobicContact CB-CG2 4.23Å; L417-I595 HydrophobicContact CD2-CG2 4.1Å; L417-H596 CarbonylContact C-O 3.57Å; L417-H596 WeakPolarHBondContact CA-O 3.45Å; L417-V597 HydrophobicContact CD2-CG2 3.89Å; L417-V597 HydrophobicContact CG-CG2 4.14Å
418	I	97.2	Very high	84.3	Confident	17 Å²	17	56.6 Å²	56.6	9%	0.087	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	127.6	-179	-62	178.2	0	0	0	109.5	R416 K420 K552 V553 I595 H596	R416-I418 HydrophobicContact CG-CD1 4.42Å; R416-I418 HydrophobicContact CG-CG1 4.07Å; I418-K420 HydrophobicContact CG2-CD 4.45Å; I418-K420 PolarHBondContact O-N 3.07Å; I418-K552 WeakPolarHBondContact CA-O 3.35Å; I418-V553 HydrophobicContact CG1-CG1 4.25Å; I418-V553 HydrophobicContact CG1-CG2 4.27Å; I418-I595 WeakPolarHBondContact O-CA 3.41Å; I418-H596 HydrophobicContact CB-CB 4.49Å; I418-H596 PolarHBondContact N-O 2.96Å; I418-H596 PolarHBondContact O-N 3Å
419	Y	94.5	Very high	86.4	Confident	16 Å²	16	50.4 Å²	50.4	6%	0.063	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	123.1	166.3	-64.6	-79	0	0	0	109.8	K424 K552 I554 L580 H594 I595	Y419-K424 VanDerWaalsContact CD1-CE 3.46Å; Y419-K424 HydrophobicContact CD1-CG 4.36Å; Y419-K424 HydrophobicContact CD2-CG 4.28Å; Y419-K424 HydrophobicContact CE1-CG 4.18Å; Y419-K424 HydrophobicContact CE2-CG 4.12Å; Y419-K424 HydrophobicContact CG-CG 4.4Å; Y419-K552 PolarHBondContact N-O 3.01Å; Y419-K552 WeakPolarHBondContact O-CD 3.45Å; Y419-K552 WeakPolarHBondContact O-CE 3.36Å; Y419-K552 PolarHBondContact O-NZ 2.87Å; Y419-I554 HydrophobicContact CE2-CD1 3.93Å; Y419-I554 HydrophobicContact CE2-CG1 4.35Å; Y419-L580 HydrophobicContact CE1-CD1 3.7Å; Y419-L580 VanDerWaalsContact OH-CD1 3.23Å; Y419-L580 WeakPolarHBondContact OH-CD1 3.49Å; Y419-H594 CarbonylContact C-O 3.55Å; Y419-I595 HydrophobicContact CD1-CD1 3.3Å; Y419-I595 HydrophobicContact CE1-CD1 3.55Å; Y419-I595 HydrophobicContact CG-CD1 4.13Å
420	K	93.4	Very high	88.5	Confident	123 Å²	123	43.5 Å²	43.5	54%	0.535	20%	0.195	S	C	.	.	S	Bend	trans	-97.5	-17.8	-178.7	-70.4	-69	-174.1	174.1	0	113.5	I418 H594 H596	I418-K420 HydrophobicContact CG2-CD 4.45Å; I418-K420 PolarHBondContact O-N 3.07Å; K420-H594 PolarHBondContact N-O 2.72Å; K420-H596 HydrophobicContact CD-CB 4.22Å; K420-H596 HydrophobicContact CG-CB 3.9Å
421	D	87.3	Confident	90.4	Very high	62 Å²	62	40.1 Å²	40.1	33%	0.332	18%	0.176	S	C	.	.	S	Bend	trans	-78.1	-75.3	179.7	56.2	-16.8	0	0	0	112.1	K424 H594	D421-K424 IonicContact OD1-NZ 2.64Å; D421-K424 PolarHBondContact OD1-NZ 2.67Å; D421-K424 IonicContact OD2-NZ 3.5Å; D421-K424 PolarHBondContact OD2-NZ 3.26Å; D421-H594 HydrophobicContact CB-CB 3.91Å
422	Y	86.3	Confident	91.9	Very high	105 Å²	105	38.5 Å²	38.5	41%	0.412	17%	0.168	S	C	.	.			trans	-149.1	162.1	-176.5	60.9	-87.5	0	0	0	110.3	K424	Y422-K424 HydrophobicContact CD2-CD 4.06Å; Y422-K424 HydrophobicContact CE2-CD 3.62Å; Y422-K424 PolarHBondContact OH-NZ 3.49Å
423	E	90.2	Very high	92.8	Very high	71 Å²	71	36.6 Å²	36.6	33%	0.332	16%	0.158	S	C	.	.			trans	-75.5	137.6	176.7	-60.8	-177.8	164.3	0	0	110.4	H425 N550 Q551 K552	E423-H425 PolarHBondContact O-CD2 3.22Å; E423-H425 VanDerWaalsContact O-CD2 3.32Å; E423-N550 WeakPolarHBondContact OE2-CB 3.42Å; E423-Q551 WeakPolarHBondContact CA-O 3.15Å; E423-K552 HydrophobicContact CG-CB 4.41Å; E423-K552 HydrophobicContact CG-CD 4.02Å; E423-K552 HydrophobicContact CG-CG 4.45Å
424	K	89.7	Confident	93.2	Very high	23 Å²	23	36.6 Å²	36.6	10%	0.1	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	147.9	-178.8	-44.7	-59.3	178.4	-170.8	0	110.9	Y419 D421 Y422 N550 Q551	Y419-K424 VanDerWaalsContact CD1-CE 3.46Å; Y419-K424 HydrophobicContact CD1-CG 4.36Å; Y419-K424 HydrophobicContact CD2-CG 4.28Å; Y419-K424 HydrophobicContact CE1-CG 4.18Å; Y419-K424 HydrophobicContact CE2-CG 4.12Å; Y419-K424 HydrophobicContact CG-CG 4.4Å; D421-K424 IonicContact OD1-NZ 2.64Å; D421-K424 PolarHBondContact OD1-NZ 2.67Å; D421-K424 IonicContact OD2-NZ 3.5Å; D421-K424 PolarHBondContact OD2-NZ 3.26Å; Y422-K424 HydrophobicContact CD2-CD 4.06Å; Y422-K424 HydrophobicContact CE2-CD 3.62Å; Y422-K424 PolarHBondContact OH-NZ 3.49Å; K424-N550 PolarHBondContact O-N 2.85Å; K424-Q551 HydrophobicContact CB-CB 4.03Å; K424-Q551 PolarHBondContact N-O 3.31Å; K424-Q551 WeakPolarHBondContact O-CB 3.41Å; K424-Q551 PolarHBondContact O-N 3.35Å
425	H	89.9	Confident	93.3	Very high	77 Å²	77	34.9 Å²	34.9	36%	0.356	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	83.9	-175	-64.3	-95.6	0	0	0	110.5	E423 F548 N550	E423-H425 PolarHBondContact O-CD2 3.22Å; E423-H425 VanDerWaalsContact O-CD2 3.32Å; H425-F548 CarbonylContact C-O 3.54Å; H425-F548 WeakPolarHBondContact CA-O 3.35Å; H425-N550 PolarHBondContact CE1-OD1 3.11Å; H425-N550 PolarHBondContact ND1-N 3.31Å
426	T	90.1	Very high	93.2	Very high	1 Å²	1	36 Å²	36	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	144.2	-166.7	71.6	0	0	0	0	112.5	E253 Q428 D429 R522 Q547 F548 Q551	E253-T426 VanDerWaalsContact CD-CA 3.46Å; E253-T426 VanDerWaalsContact CD-CG2 3.42Å; E253-T426 HydrophobicContact CG-CG2 3.7Å; E253-T426 WeakPolarHBondContact OE1-CG2 3.29Å; E253-T426 WeakPolarHBondContact OE2-CA 3.36Å; T426-Q428 WeakPolarHBondContact CB-O 3.35Å; T426-D429 VanDerWaalsContact CB-OD1 3.26Å; T426-D429 WeakPolarHBondContact CB-OD1 3.34Å; T426-D429 WeakPolarHBondContact CG2-OD1 3.46Å; T426-D429 PolarHBondContact OG1-OD1 3.18Å; T426-D429 PolarHBondContact OG1-OD2 2.7Å; T426-R522 PolarHBondContact O-NH2 3.48Å; T426-R522 PolarHBondContact OG1-NH2 2.75Å; T426-Q547 CarbonylContact O-C 3.58Å; T426-Q547 WeakPolarHBondContact O-CA 3.22Å; T426-F548 PolarHBondContact N-O 3.08Å; T426-F548 PolarHBondContact O-N 3.03Å; T426-Q551 PolarHBondContact OG1-NE2 2.91Å
427	R	89.1	Confident	92.9	Very high	112 Å²	112	33.4 Å²	33.4	42%	0.423	15%	0.148	S	C	.	.	S	Bend	trans	-103.9	-7.8	161.1	-72.3	-177.3	64.2	-176.8	-6.9	112.9	R522 D524 Q547	R427-R522 PolarHBondContact O-NH1 2.76Å; R427-D524 IonicContact CZ-OD1 3.45Å; R427-D524 IonicContact CZ-OD2 3.12Å; R427-D524 IonicContact NE-OD1 2.72Å; R427-D524 PolarHBondContact NE-OD1 2.96Å; R427-D524 IonicContact NH2-OD1 3.75Å; R427-D524 PolarHBondContact NH2-OD1 3.49Å; R427-D524 IonicContact NH2-OD2 2.68Å; R427-D524 PolarHBondContact NH2-OD2 3.27Å; R427-D524 PolarHBondContact O-N 3.02Å; R427-Q547 HydrophobicContact CG-CB 4.11Å; R427-Q547 HydrophobicContact CG-CG 4.24Å
428	Q	89.9	Confident	92.4	Very high	40 Å²	40	34.3 Å²	34.3	19%	0.187	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	132.3	175	169.9	173.9	-16	0	0	108.9	T426 R522 V523	T426-Q428 WeakPolarHBondContact CB-O 3.35Å; Q428-R522 CarbonylContact C-O 3.55Å; Q428-R522 WeakPolarHBondContact CA-O 3.35Å; Q428-V523 HydrophobicContact CB-CG2 4.18Å; Q428-V523 HydrophobicContact CG-CG2 3.85Å
429	D	92.8	Very high	90.9	Very high	2 Å²	2	40 Å²	40	1%	0.011	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	148.7	174	-60	-63.9	0	0	0	111.1	T426 I481 Y521 R522 Y577 N578	T426-D429 VanDerWaalsContact CB-OD1 3.26Å; T426-D429 WeakPolarHBondContact CB-OD1 3.34Å; T426-D429 WeakPolarHBondContact CG2-OD1 3.46Å; T426-D429 PolarHBondContact OG1-OD1 3.18Å; T426-D429 PolarHBondContact OG1-OD2 2.7Å; D429-I481 HydrophobicContact CB-CD1 4.32Å; D429-Y521 CarbonylContact O-C 3.55Å; D429-Y521 WeakPolarHBondContact O-CA 3.47Å; D429-R522 HydrophobicContact CB-CB 4.27Å; D429-R522 PolarHBondContact N-O 2.81Å; D429-R522 PolarHBondContact O-N 2.88Å; D429-R522 IonicContact OD2-CZ 2.76Å; D429-R522 IonicContact OD2-NE 3.91Å; D429-R522 PolarHBondContact OD2-NE 2.84Å; D429-R522 IonicContact OD2-NH2 2.82Å; D429-R522 PolarHBondContact OD2-NH2 2.85Å; D429-Y577 PolarHBondContact OD1-OH 3.16Å; D429-N578 VanDerWaalsContact CA-OD1 3.26Å; D429-N578 WeakPolarHBondContact CA-OD1 3.35Å; D429-N578 PolarHBondContact OD1-ND2 3.05Å
430	E	93.5	Very high	89.1	Confident	9 Å²	9	43.9 Å²	43.9	4%	0.042	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	130.7	173.7	-179.4	179.8	-159.5	0	0	109.7	R252 L365 G520 Y521 Y576 Y577 N578	R252-E430 IonicContact CZ-OE2 3.79Å; R252-E430 IonicContact NH2-OE2 2.74Å; R252-E430 PolarHBondContact NH2-OE2 2.85Å; L365-E430 WeakPolarHBondContact CD1-OE1 3.29Å; L365-E430 WeakPolarHBondContact CD2-OE1 3.34Å; E430-G520 WeakPolarHBondContact CA-O 3.29Å; E430-Y521 HydrophobicContact CB-CD1 4.41Å; E430-Y521 HydrophobicContact CG-CD1 3.85Å; E430-Y521 HydrophobicContact CG-CE1 3.74Å; E430-Y521 WeakPolarHBondContact OE1-CE1 3.39Å; E430-Y576 HydrophobicContact CB-CE1 4.36Å; E430-Y576 HydrophobicContact CG-CD1 4.48Å; E430-Y576 HydrophobicContact CG-CE1 4.05Å; E430-Y577 WeakPolarHBondContact O-CA 3.21Å; E430-N578 PolarHBondContact N-OD1 2.97Å; E430-N578 PolarHBondContact O-N 3.31Å; E430-N578 PolarHBondContact O-OD1 3.44Å
431	F	96	Very high	86.4	Confident	7 Å²	7	42.5 Å²	42.5	3%	0.031	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	143.7	174.6	62.1	-101.1	0	0	0	111.5	L433 L469 I481 L483 L492 R519 G520 L529 Y576 Y577	F431-L433 HydrophobicContact CD2-CD1 3.84Å; F431-L469 HydrophobicContact CB-CD2 3.73Å; F431-L469 HydrophobicContact CD1-CD2 4.4Å; F431-L469 HydrophobicContact CD2-CD2 4.25Å; F431-L469 HydrophobicContact CG-CD2 3.9Å; F431-I481 HydrophobicContact CE1-CG2 4.27Å; F431-L483 HydrophobicContact CD2-CD2 4.2Å; F431-L483 HydrophobicContact CE2-CD1 4.01Å; F431-L483 HydrophobicContact CE2-CD2 3.81Å; F431-L483 HydrophobicContact CE2-CG 4.39Å; F431-L483 HydrophobicContact CZ-CD1 4.26Å; F431-L492 HydrophobicContact CE1-CD1 4.34Å; F431-L492 HydrophobicContact CZ-CD1 3.98Å; F431-L492 HydrophobicContact CZ-CD2 4.21Å; F431-R519 CarbonylContact O-C 3.53Å; F431-R519 WeakPolarHBondContact O-CA 3.32Å; F431-G520 PolarHBondContact N-O 3.25Å; F431-G520 PolarHBondContact O-N 3.39Å; F431-L529 HydrophobicContact CE2-CD1 4.29Å; F431-L529 HydrophobicContact CZ-CD1 4.29Å; F431-Y576 VanDerWaalsContact CA-O 3.29Å; F431-Y576 WeakPolarHBondContact CA-O 3.46Å; F431-Y577 HydrophobicContact CB-CD2 3.91Å
432	I	96.4	Very high	83.8	Confident	0 Å²	0	46 Å²	46	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	133.5	-178	-56.6	173.9	0	0	0	108.8	L365 T367 I518 R519 V575 Y576	L365-I432 HydrophobicContact CB-CD1 3.61Å; L365-I432 HydrophobicContact CD2-CD1 3.64Å; L365-I432 HydrophobicContact CG-CD1 4.19Å; L365-I432 WeakPolarHBondContact O-CD1 3.3Å; T367-I432 HydrophobicContact CG2-CG2 3.42Å; T367-I432 VanDerWaalsContact CG2-CG2 3.42Å; I432-I518 CarbonylContact C-O 3.54Å; I432-I518 WeakPolarHBondContact CA-O 3.4Å; I432-R519 HydrophobicContact CB-CG 4.49Å; I432-R519 HydrophobicContact CD1-CG 4.5Å; I432-R519 HydrophobicContact CG1-CB 4.27Å; I432-R519 HydrophobicContact CG1-CG 4.02Å; I432-R519 HydrophobicContact CG2-CG 4.01Å; I432-V575 CarbonylContact O-C 3.58Å; I432-V575 WeakPolarHBondContact O-CA 3.24Å; I432-Y576 PolarHBondContact N-O 3.43Å; I432-Y576 PolarHBondContact O-N 2.84Å
433	L	97.2	Very high	81	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	130.3	-179.5	-58.5	91.8	0	0	0	110	F431 I435 L468 L469 L483 I518 M572 V575	F431-L433 HydrophobicContact CD2-CD1 3.84Å; L433-I435 HydrophobicContact CB-CG2 4.29Å; L433-L468 HydrophobicContact CD2-CB 4.42Å; L433-L469 HydrophobicContact CD1-CD2 4.44Å; L433-L469 HydrophobicContact CD2-CB 4.28Å; L433-L483 HydrophobicContact CD1-CD2 3.62Å; L433-I518 PolarHBondContact N-O 3.4Å; L433-I518 PolarHBondContact O-N 2.9Å; L433-M572 HydrophobicContact CD2-SD 4.49Å; L433-V575 HydrophobicContact CD2-CG1 4.12Å; L433-V575 HydrophobicContact CD2-CG2 4.27Å; L433-V575 HydrophobicContact CG-CG1 4.1Å; L433-V575 HydrophobicContact CG-CG2 4.35Å
434	G	97.3	Very high	78.3	Confident	0 Å²	0	52 Å²	52	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	130.6	161.6	0	0	0	0	0	108.5	Y515 H516 M572 T573	G434-Y515 WeakPolarHBondContact CA-OH 3.42Å; G434-H516 CarbonylContact C-O 3.57Å; G434-H516 WeakPolarHBondContact CA-O 3.48Å; G434-M572 CarbonylContact O-C 3.6Å; G434-M572 VanDerWaalsContact O-CA 3.31Å; G434-M572 WeakPolarHBondContact O-CA 3.47Å; G434-T573 WeakPolarHBondContact CA-O 3.44Å; G434-T573 PolarHBondContact N-O 2.89Å; G434-T573 PolarHBondContact O-N 3.39Å
435	I	96.5	Very high	75.4	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	149.6	177.8	72.1	165.3	0	0	0	111.5	L433 L468 L485 I510 Y515 H516 I518 F568 Y571 M572	L433-I435 HydrophobicContact CB-CG2 4.29Å; I435-L468 HydrophobicContact CD1-CD1 4.16Å; I435-L468 HydrophobicContact CD1-CD2 4.48Å; I435-L485 HydrophobicContact CD1-CD1 4.15Å; I435-L485 HydrophobicContact CD1-CD2 4.37Å; I435-I510 HydrophobicContact CD1-CD1 3.59Å; I435-I510 HydrophobicContact CD1-CG1 4.27Å; I435-I510 HydrophobicContact CG1-CD1 4.21Å; I435-Y515 CarbonylContact O-C 3.58Å; I435-Y515 WeakPolarHBondContact O-CA 3.28Å; I435-H516 HydrophobicContact CG1-CB 4.37Å; I435-H516 PolarHBondContact N-O 3.35Å; I435-H516 PolarHBondContact O-N 3.49Å; I435-I518 HydrophobicContact CD1-CD1 3.92Å; I435-I518 HydrophobicContact CG1-CD1 4.28Å; I435-F568 HydrophobicContact CB-CZ 4.21Å; I435-F568 HydrophobicContact CD1-CE2 4.47Å; I435-F568 HydrophobicContact CG2-CZ 4.48Å; I435-Y571 VanDerWaalsContact CA-O 3.29Å; I435-Y571 WeakPolarHBondContact CA-O 3.25Å; I435-M572 HydrophobicContact CG2-CG 4.36Å
436	Q	95	Very high	72.7	Confident	22 Å²	22	65.3 Å²	65.3	10%	0.103	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	111.4	167.4	-179.1	179.7	-51.8	0	0	107.9	G513 Y515 G570 Y571 F609	Q436-G513 VanDerWaalsContact CG-O 3.31Å; Q436-G513 WeakPolarHBondContact CG-O 2.99Å; Q436-Y515 HydrophobicContact CB-CD2 4.35Å; Q436-G570 CarbonylContact O-C 3.41Å; Q436-G570 VanDerWaalsContact O-CA 3.23Å; Q436-G570 WeakPolarHBondContact O-CA 3.2Å; Q436-Y571 HydrophobicContact CB-CD2 4.27Å; Q436-Y571 HydrophobicContact CG-CD2 4.46Å; Q436-Y571 PolarHBondContact N-O 3.36Å; Q436-Y571 PolarHBondContact O-N 2.89Å; Q436-F609 HydrophobicContact CB-CZ 4.3Å
437	T	91.5	Very high	69.9	Low	12 Å²	12	74.3 Å²	74.3	7%	0.074	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	158.7	-178.3	61.9	0	0	0	0	111.1	L485 N511 G513 F568	T437-L485 HydrophobicContact CG2-CD1 4.18Å; T437-N511 HydrophobicContact CG2-CB 4.15Å; T437-N511 VanDerWaalsContact OG1-C 3.26Å; T437-N511 VanDerWaalsContact OG1-CA 3.22Å; T437-N511 WeakPolarHBondContact OG1-CA 3.28Å; T437-N511 PolarHBondContact OG1-O 2.9Å; T437-G513 WeakPolarHBondContact O-CA 3.49Å; T437-F568 HydrophobicContact CG2-CE2 4.03Å
438	F	85.9	Confident	67.2	Low	22 Å²	22	78.4 Å²	78.4	10%	0.096	37%	0.369	C	S	.	.			trans	-73.6	143.4	163.1	-50.6	-43.6	0	0	0	109.6	V381 Y382 I384 I440 H569 Y571	V381-F438 HydrophobicContact CG2-CE1 4.2Å; V381-F438 HydrophobicContact CG2-CZ 3.61Å; Y382-F438 VanDerWaalsContact O-CE2 3.24Å; Y382-F438 WeakPolarHBondContact O-CE2 3.4Å; I384-F438 HydrophobicContact CB-CE2 4.31Å; I384-F438 HydrophobicContact CB-CZ 4.24Å; I384-F438 HydrophobicContact CD1-CD1 3.78Å; I384-F438 HydrophobicContact CD1-CD2 3.84Å; I384-F438 HydrophobicContact CD1-CE1 3.27Å; I384-F438 HydrophobicContact CD1-CE2 3.36Å; I384-F438 HydrophobicContact CD1-CG 4.07Å; I384-F438 HydrophobicContact CD1-CZ 3.07Å; I384-F438 HydrophobicContact CG1-CD2 3.99Å; I384-F438 HydrophobicContact CG1-CE1 4.21Å; I384-F438 HydrophobicContact CG1-CE2 3.36Å; I384-F438 HydrophobicContact CG1-CZ 3.51Å; F438-I440 PolarHBondContact O-N 3.2Å; F438-H569 HydrophobicContact CD2-CB 3.84Å; F438-H569 HydrophobicContact CE2-CB 4.1Å; F438-H569 PolarHBondContact N-O 2.91Å; F438-Y571 HydrophobicContact CD1-CE2 4.16Å; F438-Y571 AromaticContact CE1-CD2 3.97Å; F438-Y571 HydrophobicContact CE1-CD2 3.97Å; F438-Y571 AromaticContact CE1-CE2 3.52Å; F438-Y571 HydrophobicContact CE1-CE2 3.52Å; F438-Y571 AromaticContact CE1-CZ 3.91Å
439	Y	66.2	Low	64.4	Low	137 Å²	137	85.9 Å²	85.9	54%	0.537	40%	0.401	S	S	.	.			trans	-71.5	103.5	173.3	-170	-103.5	0	0	0	108.9	Y392 N441	Y392-Y439 WeakPolarHBondContact OH-CB 3.43Å; Y392-Y439 PolarHBondContact OH-N 3.13Å; Y439-N441 HydrophobicContact CE1-CB 4.49Å; Y439-N441 WeakPolarHBondContact CE1-OD1 3.46Å; Y439-N441 PolarHBondContact O-N 2.95Å
440	I	55.9	Low	61.7	Low	97 Å²	97	95.1 Å²	95.1	50%	0.497	44%	0.441	S	S	.	.			trans	-89.8	104.2	172.1	-55.4	174	0	0	0	106.4	F438 F442	F438-I440 PolarHBondContact O-N 3.2Å; I440-F442 HydrophobicContact CB-CD2 4.32Å; I440-F442 HydrophobicContact CB-CE2 4.17Å; I440-F442 HydrophobicContact CG2-CD2 3.91Å; I440-F442 HydrophobicContact CG2-CE2 3.77Å; I440-F442 HydrophobicContact CG2-CG 4.47Å; I440-F442 HydrophobicContact CG2-CZ 4.22Å; I440-F442 PolarHBondContact O-N 3.43Å
441	N	37	Very low	58.8	Low	93 Å²	93	103 Å²	103	50%	0.497	48%	0.478	S	S	.	.			trans	-63.7	86.5	166.1	-98.1	-34.5	0	0	0	108.3	Y439 P443	Y439-N441 HydrophobicContact CE1-CB 4.49Å; Y439-N441 WeakPolarHBondContact CE1-OD1 3.46Å; Y439-N441 PolarHBondContact O-N 2.95Å; N441-P443 VanDerWaalsContact O-CD 3.31Å; N441-P443 WeakPolarHBondContact O-CD 3.42Å
442	F	33.2	Very low	56	Low	137 Å²	137	110.9 Å²	110.9	60%	0.601	52%	0.515	S	S	*	.			trans	-64.4	120	163.3	-82.7	-80.6	0	0	0	106.6	I440 H444	I440-F442 HydrophobicContact CB-CD2 4.32Å; I440-F442 HydrophobicContact CB-CE2 4.17Å; I440-F442 HydrophobicContact CG2-CD2 3.91Å; I440-F442 HydrophobicContact CG2-CE2 3.77Å; I440-F442 HydrophobicContact CG2-CG 4.47Å; I440-F442 HydrophobicContact CG2-CZ 4.22Å; I440-F442 PolarHBondContact O-N 3.43Å; F442-H444 PolarHBondContact O-N 3.05Å
443	P	27.3	Very low	52.8	Low	120 Å²	120	122.2 Å²	122.2	78%	0.779	56%	0.557	S	S	*	*			trans	-62.3	102.6	179.1	23.4	-30.3	0	0	0	107.8	N441 K445	N441-P443 VanDerWaalsContact O-CD 3.31Å; N441-P443 WeakPolarHBondContact O-CD 3.42Å; P443-K445 PolarHBondContact O-N 3.22Å
444	H	32.9	Very low	49.8	Very low	180 Å²	180	129.8 Å²	129.8	83%	0.833	60%	0.598	S	S	*	*			trans	-54.1	127.1	173.4	-100	-76.2	0	0	0	108.4	F442 K446	F442-H444 PolarHBondContact O-N 3.05Å; H444-K446 VanDerWaalsContact C-N 3.26Å; H444-K446 PolarHBondContact O-N 2.75Å
445	K	30.7	Very low	46.5	Very low	184 Å²	184	138.6 Å²	138.6	80%	0.8	63%	0.633	S	S	*	*	S	Bend	trans	-44.9	71	177.4	-69.5	174.5	169.9	175.2	0	114.8	P443	P443-K445 PolarHBondContact O-N 3.22Å
446	K	31.7	Very low	43.2	Very low	196 Å²	196	143.9 Å²	143.9	85%	0.852	67%	0.67	S	S	*	*			trans	-129.1	5.8	176	-83.1	-168.3	177.2	179.5	0	116.3	H444	H444-K446 VanDerWaalsContact C-N 3.26Å; H444-K446 PolarHBondContact O-N 2.75Å
447	Q	32.4	Very low	40	Very low	190 Å²	190	149 Å²	149	89%	0.888	69%	0.693	S	S	*	*	S	Bend	trans	-131.3	8.7	175.7	-72.8	-172	1.9	0	0	117	K449	Q447-K449 VanDerWaalsContact C-N 3.33Å; Q447-K449 PolarHBondContact O-N 2.76Å
448	Q	31.5	Very low	36.9	Very low	198 Å²	198	153.8 Å²	153.8	93%	0.925	72%	0.723	S	S	*	*			trans	-92.3	64.6	170.4	-69	-174.7	14.2	0	0	111.6
449	K	32.4	Very low	34.3	Very low	197 Å²	197	162.2 Å²	162.2	86%	0.857	76%	0.755	S	S	*	*	S	Bend	trans	-145.3	66	162.6	-91	-169.6	178.8	177.6	0	108.7	Q447	Q447-K449 VanDerWaalsContact C-N 3.33Å; Q447-K449 PolarHBondContact O-N 2.76Å
450	K	34.5	Very low	32.7	Very low	197 Å²	197	160.4 Å²	160.4	86%	0.857	76%	0.755	S	S	*	*	S	Bend	trans	164.5	130.8	148	-92.1	159	-176	-174.8	0	108.5
451	Q	32.9	Very low	32	Very low	175 Å²	175	161.8 Å²	161.8	82%	0.818	76%	0.763	S	S	*	*	S	Bend	trans	87.7	126.3	168.9	-59.5	177.4	-6.4	0	0	117.2
452	H	37	Very low	32.6	Very low	172 Å²	172	162.8 Å²	162.8	80%	0.796	77%	0.769	S	S	*	*			trans	78.4	80.9	168.3	-60	-66.2	0	0	0	119
453	R	30.5	Very low	34.1	Very low	237 Å²	237	160.8 Å²	160.8	89%	0.894	77%	0.765	S	S	*	*			trans	-47.5	138.7	140.5	-74.8	172.8	167.2	163.9	-5.3	109.6
454	N	32.4	Very low	36.3	Very low	160 Å²	160	159.7 Å²	159.7	86%	0.856	75%	0.745	S	S	*	*	S	Bend	trans	97.3	46.1	173	-52.2	-8.4	0	0	0	117.4
455	Y	29.2	Very low	39	Very low	185 Å²	185	152.8 Å²	152.8	73%	0.725	71%	0.714	S	S	*	*			trans	-164.6	80.1	141.7	-152.7	-100.2	0	0	0	109.2	Q457	Y455-Q457 HydrophobicContact CD1-CB 4.46Å; Y455-Q457 HydrophobicContact CD1-CG 4.27Å; Y455-Q457 HydrophobicContact CE1-CB 4.3Å; Y455-Q457 HydrophobicContact CE1-CG 3.71Å; Y455-Q457 PolarHBondContact O-N 2.78Å; Y455-Q457 PolarHBondContact OH-NE2 3.02Å
456	S	26.1	Very low	41.8	Very low	111 Å²	111	144.3 Å²	144.3	78%	0.776	68%	0.678	S	S	*	*			trans	-89.6	78.5	173.4	56	0	0	0	0	109.6	T458	S456-T458 VanDerWaalsContact C-N 3.3Å; S456-T458 PolarHBondContact O-N 2.9Å
457	Q	28.6	Very low	44.8	Very low	129 Å²	129	135 Å²	135	60%	0.603	64%	0.638	S	S	*	*			trans	-79	92.7	149.7	-83.9	-175.6	-2.4	0	0	106.7	Y455 Y459	Y455-Q457 HydrophobicContact CD1-CB 4.46Å; Y455-Q457 HydrophobicContact CD1-CG 4.27Å; Y455-Q457 HydrophobicContact CE1-CB 4.3Å; Y455-Q457 HydrophobicContact CE1-CG 3.71Å; Y455-Q457 PolarHBondContact O-N 2.78Å; Y455-Q457 PolarHBondContact OH-NE2 3.02Å; Q457-Y459 VanDerWaalsContact C-N 3.3Å; Q457-Y459 PolarHBondContact O-N 2.8Å
458	T	27	Very low	47.9	Very low	113 Å²	113	125.9 Å²	125.9	69%	0.693	60%	0.595	S	S	*	*			trans	-60.4	94	162.9	28.7	0	0	0	0	108.3	S456 N460	S456-T458 VanDerWaalsContact C-N 3.3Å; S456-T458 PolarHBondContact O-N 2.9Å; T458-N460 PolarHBondContact O-N 3.07Å
459	Y	31.6	Very low	51	Low	198 Å²	198	116.5 Å²	116.5	78%	0.776	55%	0.551	S	S	*	*			trans	-64.3	88.9	147.8	-89.6	-89.4	0	0	0	105.7	Q457 N461	Q457-Y459 VanDerWaalsContact C-N 3.3Å; Q457-Y459 PolarHBondContact O-N 2.8Å; Y459-N461 PolarHBondContact O-N 3.04Å
460	N	32.4	Very low	54.1	Low	100 Å²	100	107.4 Å²	107.4	54%	0.535	51%	0.512	S	S	.	.			trans	-59.3	128.5	166.2	-88.3	5.2	0	0	0	107	T458 D462	T458-N460 PolarHBondContact O-N 3.07Å; N460-D462 HydrophobicContact CB-CB 4.13Å; N460-D462 VanDerWaalsContact CB-OD2 3.26Å; N460-D462 WeakPolarHBondContact CB-OD2 3.47Å; N460-D462 PolarHBondContact ND2-OD2 2.87Å; N460-D462 PolarHBondContact O-N 2.99Å
461	N	41.8	Very low	57.1	Low	125 Å²	125	98 Å²	98	67%	0.668	47%	0.471	S	S	*	.			trans	-67.3	34.8	169.2	-80	-2.4	0	0	0	111.6	Y459 N463	Y459-N461 PolarHBondContact O-N 3.04Å; N461-N463 PolarHBondContact O-N 2.93Å
462	D	49.1	Very low	60.2	Low	115 Å²	115	89.7 Å²	89.7	62%	0.615	43%	0.432	S	S	*	.			trans	-84.9	107.1	-176.5	-68.3	-18.4	0	0	0	108.9	N460 Y464	N460-D462 HydrophobicContact CB-CB 4.13Å; N460-D462 VanDerWaalsContact CB-OD2 3.26Å; N460-D462 WeakPolarHBondContact CB-OD2 3.47Å; N460-D462 PolarHBondContact ND2-OD2 2.87Å; N460-D462 PolarHBondContact O-N 2.99Å; D462-Y464 PolarHBondContact O-N 2.72Å
463	N	63.6	Low	62.9	Low	95 Å²	95	81.9 Å²	81.9	51%	0.508	40%	0.397	S	S	.	.			trans	27	77.5	167.3	-62.9	9.7	0	0	0	116.5	N461 I465 E486	N461-N463 PolarHBondContact O-N 2.93Å; N463-I465 PolarHBondContact O-N 3.39Å; N463-E486 HydrophobicContact CB-CG 4.31Å; N463-E486 PolarHBondContact ND2-OE1 2.95Å
464	Y	74.6	Confident	65.9	Low	96 Å²	96	75.2 Å²	75.2	38%	0.376	38%	0.379	S	S	.	.			trans	-62.7	118.8	166.7	-173	-88.6	0	0	0	109.5	D462 S487 D566 F567	D462-Y464 PolarHBondContact O-N 2.72Å; Y464-S487 PolarHBondContact O-N 2.79Å; Y464-D566 HydrophobicContact CD2-CB 4.26Å; Y464-D566 HydrophobicContact CE1-CB 3.98Å; Y464-D566 HydrophobicContact CE2-CB 3.53Å; Y464-D566 WeakPolarHBondContact CE2-OD2 3.28Å; Y464-D566 VanDerWaalsContact CZ-CG 3.44Å; Y464-D566 VanDerWaalsContact OH-CB 3.3Å; Y464-D566 WeakPolarHBondContact OH-CB 3.3Å; Y464-D566 PolarHBondContact OH-OD1 2.98Å; Y464-D566 PolarHBondContact OH-OD2 3.44Å; Y464-F567 PolarHBondContact OH-O 3.41Å
465	I	88.6	Confident	68.8	Low	35 Å²	35	71.7 Å²	71.7	18%	0.179	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	121	178.1	-68.5	170.1	0	0	0	108.8	N463 F484 L485 E486 T565 D566	N463-I465 PolarHBondContact O-N 3.39Å; I465-F484 HydrophobicContact CB-CD2 4.42Å; I465-F484 HydrophobicContact CD1-CE2 4.41Å; I465-F484 HydrophobicContact CG1-CD2 4.27Å; I465-F484 HydrophobicContact CG1-CE2 4.34Å; I465-F484 HydrophobicContact CG2-CB 3.97Å; I465-F484 HydrophobicContact CG2-CD2 3.51Å; I465-F484 HydrophobicContact CG2-CE2 4.2Å; I465-F484 HydrophobicContact CG2-CG 3.92Å; I465-L485 CarbonylContact C-O 3.45Å; I465-L485 VanDerWaalsContact CA-O 3.26Å; I465-L485 WeakPolarHBondContact CA-O 3.33Å; I465-E486 HydrophobicContact CG1-CB 4.42Å; I465-E486 HydrophobicContact CG1-CG 4.19Å; I465-T565 HydrophobicContact CG2-CG2 3.88Å; I465-T565 CarbonylContact O-C 3.6Å; I465-T565 WeakPolarHBondContact O-CA 3.38Å; I465-D566 PolarHBondContact O-N 2.83Å
466	S	90.9	Very high	71.7	Confident	6 Å²	6	64.7 Å²	64.7	4%	0.042	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	119.1	175.3	-170.8	0	0	0	0	110.8	L468 F484 L485 F567 F568	S466-L468 PolarHBondContact O-N 2.8Å; S466-F484 CarbonylContact O-C 3.57Å; S466-F484 WeakPolarHBondContact O-CA 3.41Å; S466-F484 WeakPolarHBondContact O-CB 3.45Å; S466-L485 PolarHBondContact N-O 2.85Å; S466-L485 PolarHBondContact O-N 2.78Å; S466-F567 PolarHBondContact OG-O 2.98Å; S466-F568 WeakPolarHBondContact OG-CA 3.44Å; S466-F568 PolarHBondContact OG-N 3.46Å
467	T	94.2	Very high	74.6	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	124.3	-179.6	-66.4	0	0	0	0	110.6	F470 H482 G557 T565	T467-F470 HydrophobicContact CG2-CB 4.01Å; T467-H482 PolarHBondContact OG1-NE2 2.83Å; T467-G557 CarbonylContact O-C 3.54Å; T467-G557 WeakPolarHBondContact O-CA 3.44Å; T467-G557 VanDerWaalsContact O-O 3.1Å; T467-T565 VanDerWaalsContact OG1-CB 3.28Å; T467-T565 WeakPolarHBondContact OG1-CB 3.46Å; T467-T565 WeakPolarHBondContact OG1-CG2 3.41Å; T467-T565 PolarHBondContact OG1-OG1 2.58Å
468	L	96.9	Very high	77.6	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-56.2	173.5	-60.1	-178.2	0	0	0	110.8	L433 I435 S466 L483 L485 I518 L556 G557 F568 M572	L433-L468 HydrophobicContact CD2-CB 4.42Å; I435-L468 HydrophobicContact CD1-CD1 4.16Å; I435-L468 HydrophobicContact CD1-CD2 4.48Å; S466-L468 PolarHBondContact O-N 2.8Å; L468-L483 HydrophobicContact CB-CD2 4.18Å; L468-L483 HydrophobicContact CB-CG 4.34Å; L468-L483 HydrophobicContact CD1-CD2 4.24Å; L468-L483 HydrophobicContact CD1-CG 4.34Å; L468-L483 PolarHBondContact N-O 2.92Å; L468-L485 HydrophobicContact CD1-CD2 3.97Å; L468-L485 HydrophobicContact CD1-CG 3.97Å; L468-L485 HydrophobicContact CD2-CD1 4.27Å; L468-L485 HydrophobicContact CD2-CG 4.17Å; L468-L485 HydrophobicContact CG-CG 4.18Å; L468-I518 HydrophobicContact CD1-CD1 3.58Å; L468-L556 WeakPolarHBondContact O-CA 3.45Å; L468-G557 PolarHBondContact O-N 3Å; L468-G557 VanDerWaalsContact O-N 3.13Å; L468-F568 HydrophobicContact CD2-CD2 3.32Å; L468-F568 HydrophobicContact CD2-CE2 3.57Å; L468-F568 HydrophobicContact CD2-CG 4.06Å; L468-F568 HydrophobicContact CD2-CZ 4.47Å; L468-M572 HydrophobicContact CB-CE 4.39Å; L468-M572 HydrophobicContact CD2-CE 3.87Å
469	L	97.7	Very high	80.8	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.005	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	131.1	-179.2	172.6	72.3	0	0	0	109.1	F431 L433 V471 L483 I554 W555 L556 Y577 L582	F431-L469 HydrophobicContact CB-CD2 3.73Å; F431-L469 HydrophobicContact CD1-CD2 4.4Å; F431-L469 HydrophobicContact CD2-CD2 4.25Å; F431-L469 HydrophobicContact CG-CD2 3.9Å; L433-L469 HydrophobicContact CD1-CD2 4.44Å; L433-L469 HydrophobicContact CD2-CB 4.28Å; L469-V471 HydrophobicContact CD1-CG2 3.98Å; L469-V471 HydrophobicContact CD2-CG2 4.4Å; L469-V471 HydrophobicContact CG-CG2 4.1Å; L469-L483 HydrophobicContact CB-CB 4.12Å; L469-L483 HydrophobicContact CB-CD2 4.41Å; L469-L483 PolarHBondContact N-O 3.21Å; L469-L483 VanDerWaalsContact N-O 3.15Å; L469-L483 PolarHBondContact O-N 2.85Å; L469-I554 HydrophobicContact CD1-CG2 3.52Å; L469-W555 WeakPolarHBondContact CA-O 3.19Å; L469-L556 HydrophobicContact CB-CD2 4.34Å; L469-L556 HydrophobicContact CD1-CD2 3.53Å; L469-Y577 HydrophobicContact CD2-CD2 4.17Å; L469-L582 HydrophobicContact CD1-CD1 4.47Å
470	F	97.1	Very high	83.9	Confident	5 Å²	5	49.2 Å²	49.2	2%	0.022	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	117.1	171.9	178.5	-122.9	0	0	0	111.1	T467 T472 F480 I481 H482 I554 W555 A559 L562	T467-F470 HydrophobicContact CG2-CB 4.01Å; F470-T472 HydrophobicContact CD1-CG2 3.95Å; F470-T472 HydrophobicContact CE1-CG2 3.38Å; F470-T472 HydrophobicContact CZ-CG2 3.73Å; F470-F480 HydrophobicContact CE2-CB 3.7Å; F470-F480 AromaticContact CE2-CD2 3.85Å; F470-F480 HydrophobicContact CE2-CD2 3.85Å; F470-F480 AromaticContact CE2-CG 3.96Å; F470-F480 HydrophobicContact CE2-CG 3.96Å; F470-F480 HydrophobicContact CZ-CB 4.25Å; F470-I481 CarbonylContact C-O 3.57Å; F470-I481 WeakPolarHBondContact CA-O 3.26Å; F470-I481 WeakPolarHBondContact CD2-O 2.94Å; F470-H482 HydrophobicContact CD2-CB 3.74Å; F470-H482 HydrophobicContact CE2-CB 4.22Å; F470-I554 CarbonylContact O-C 3.55Å; F470-I554 WeakPolarHBondContact O-CA 3.43Å; F470-W555 HydrophobicContact CB-CB 4.2Å; F470-W555 AromaticContact CD1-CD1 3.63Å; F470-W555 HydrophobicContact CD1-CG 4.4Å; F470-W555 PolarHBondContact N-O 2.84Å; F470-W555 PolarHBondContact O-N 2.73Å; F470-A559 HydrophobicContact CB-CB 4.18Å; F470-A559 HydrophobicContact CD1-CB 3.53Å; F470-A559 HydrophobicContact CE1-CB 4.28Å; F470-A559 HydrophobicContact CG-CB 4.17Å; F470-L562 HydrophobicContact CB-CD1 4.36Å; F470-L562 HydrophobicContact CD1-CD1 3.92Å; F470-L562 HydrophobicContact CD1-CG 4.25Å; F470-L562 HydrophobicContact CD2-CD1 3.88Å; F470-L562 HydrophobicContact CE1-CD1 4.1Å; F470-L562 HydrophobicContact CE1-CD2 4.1Å; F470-L562 HydrophobicContact CE1-CG 4.01Å; F470-L562 HydrophobicContact CE2-CD1 4.06Å; F470-L562 HydrophobicContact CE2-CD2 4.1Å; F470-L562 HydrophobicContact CE2-CG 4.49Å; F470-L562 HydrophobicContact CG-CD1 3.81Å; F470-L562 HydrophobicContact CZ-CD1 4.18Å; F470-L562 HydrophobicContact CZ-CD2 3.76Å; F470-L562 HydrophobicContact CZ-CG 4.15Å
471	V	97.5	Very high	86.9	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	132.5	179.2	-171	0	0	0	0	109	L469 F480 I481 F548 Q551 V553 I554 Y577	L469-V471 HydrophobicContact CD1-CG2 3.98Å; L469-V471 HydrophobicContact CD2-CG2 4.4Å; L469-V471 HydrophobicContact CG-CG2 4.1Å; V471-F480 VanDerWaalsContact O-CA 3.29Å; V471-F480 WeakPolarHBondContact O-CA 3.4Å; V471-F480 WeakPolarHBondContact O-CB 3.35Å; V471-I481 PolarHBondContact N-O 3.35Å; V471-I481 PolarHBondContact O-N 2.87Å; V471-F548 HydrophobicContact CB-CE1 4.11Å; V471-F548 HydrophobicContact CB-CZ 4.16Å; V471-F548 HydrophobicContact CG1-CE1 3.94Å; V471-F548 HydrophobicContact CG1-CZ 3.96Å; V471-F548 WeakPolarHBondContact O-CZ 3.46Å; V471-Q551 HydrophobicContact CG1-CB 4.45Å; V471-Q551 HydrophobicContact CG1-CG 4.22Å; V471-V553 WeakPolarHBondContact CA-O 3.44Å; V471-I554 HydrophobicContact CG1-CG1 4.13Å; V471-I554 HydrophobicContact CG2-CG1 4.14Å; V471-I554 HydrophobicContact CG2-CG2 4.2Å; V471-Y577 HydrophobicContact CG1-CE1 4.16Å; V471-Y577 HydrophobicContact CG2-CD2 4.13Å; V471-Y577 HydrophobicContact CG2-CE1 4.34Å; V471-Y577 HydrophobicContact CG2-CE2 3.69Å
472	T	96.7	Very high	89.5	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	174.5	-173.8	-175.9	0	0	0	0	112.2	F470 Q476 K552 V553	F470-T472 HydrophobicContact CD1-CG2 3.95Å; F470-T472 HydrophobicContact CE1-CG2 3.38Å; F470-T472 HydrophobicContact CZ-CG2 3.73Å; T472-Q476 HydrophobicContact CG2-CB 4.15Å; T472-Q476 HydrophobicContact CG2-CG 3.78Å; T472-Q476 WeakPolarHBondContact OG1-CA 3.31Å; T472-K552 PolarHBondContact O-N 3.4Å; T472-V553 PolarHBondContact N-O 3.23Å; T472-V553 VanDerWaalsContact N-O 3.07Å; T472-V553 PolarHBondContact O-N 3.19Å
473	S	95.5	Very high	91.8	Very high	7 Å²	7	33.9 Å²	33.9	5%	0.049	18%	0.183	C	C	.	.			trans	-63.8	163.8	164.9	68.8	0	0	0	0	113.8	T475 Q476 I477 N550	S473-T475 VanDerWaalsContact C-N 3.28Å; S473-T475 PolarHBondContact O-N 2.85Å; S473-T475 PolarHBondContact OG-OG1 3.16Å; S473-Q476 WeakPolarHBondContact O-CA 3.5Å; S473-Q476 PolarHBondContact O-N 2.93Å; S473-Q476 PolarHBondContact OG-N 3.46Å; S473-I477 PolarHBondContact OG-N 3Å; S473-I477 VanDerWaalsContact OG-N 3.12Å; S473-I477 PolarHBondContact OG-O 2.87Å; S473-N550 WeakPolarHBondContact CA-O 3.33Å; S473-N550 WeakPolarHBondContact CB-O 3.22Å
474	L	93.4	Very high	93.3	Very high	98 Å²	98	29.7 Å²	29.7	51%	0.513	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-36.7	179.7	-172.6	62.9	0	0	0	112.8	Q476 K552 V553	L474-Q476 PolarHBondContact O-N 3.09Å; L474-K552 HydrophobicContact CB-CB 4.26Å; L474-K552 HydrophobicContact CB-CG 3.96Å; L474-K552 HydrophobicContact CD1-CG 4.43Å; L474-V553 HydrophobicContact CD1-CG2 3.78Å
475	T	91.8	Very high	94.2	Very high	86 Å²	86	25.5 Å²	25.5	53%	0.528	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-16	175.9	54.5	0	0	0	0	112.2	S473 I477 R561	S473-T475 VanDerWaalsContact C-N 3.28Å; S473-T475 PolarHBondContact O-N 2.85Å; S473-T475 PolarHBondContact OG-OG1 3.16Å; T475-I477 VanDerWaalsContact C-N 3.32Å; T475-R561 PolarHBondContact O-NH1 3.31Å
476	Q	90	Very high	94.3	Very high	37 Å²	37	25.8 Å²	25.8	17%	0.173	14%	0.144	C	C	.	.			trans	63.5	37.2	-173.7	-46.7	-169.6	23.2	0	0	112.9	T472 S473 L474	T472-Q476 HydrophobicContact CG2-CB 4.15Å; T472-Q476 HydrophobicContact CG2-CG 3.78Å; T472-Q476 WeakPolarHBondContact OG1-CA 3.31Å; S473-Q476 WeakPolarHBondContact O-CA 3.5Å; S473-Q476 PolarHBondContact O-N 2.93Å; S473-Q476 PolarHBondContact OG-N 3.46Å; L474-Q476 PolarHBondContact O-N 3.09Å
477	I	87.8	Confident	94.1	Very high	126 Å²	126	28.6 Å²	28.6	65%	0.646	16%	0.164	S	C	*	.			trans	-125	145.5	180	-59.5	172.1	0	0	0	108.6	S473 T475	S473-I477 PolarHBondContact OG-N 3Å; S473-I477 VanDerWaalsContact OG-N 3.12Å; S473-I477 PolarHBondContact OG-O 2.87Å; T475-I477 VanDerWaalsContact C-N 3.32Å
478	G	91.1	Very high	93.8	Very high	40 Å²	40	28.9 Å²	28.9	41%	0.412	17%	0.167	S	C	.	.	S	Bend	trans	92.7	-123.6	175.2	0	0	0	0	0	111.3	N495	G478-N495 PolarHBondContact O-ND2 3.43Å
479	D	95.2	Very high	93.6	Very high	20 Å²	20	30.1 Å²	30.1	11%	0.107	17%	0.173	C	C	.	.			trans	-76	142.2	-175.4	-59.5	-16.9	0	0	0	111	N495 M496 G497 F548 N549	D479-N495 CarbonylContact C-O 3.6Å; D479-N495 WeakPolarHBondContact CA-O 3.29Å; D479-N495 VanDerWaalsContact CB-O 3.25Å; D479-N495 WeakPolarHBondContact CB-O 3.45Å; D479-M496 HydrophobicContact CB-SD 4.37Å; D479-M496 WeakPolarHBondContact OD1-CA 3.31Å; D479-G497 PolarHBondContact OD1-N 3.4Å; D479-F548 VanDerWaalsContact C-CE2 3.43Å; D479-F548 HydrophobicContact CB-CD2 3.4Å; D479-F548 HydrophobicContact CB-CE2 3.68Å; D479-F548 WeakPolarHBondContact O-CE2 3.23Å; D479-N549 WeakPolarHBondContact OD2-CB 3.37Å; D479-N549 PolarHBondContact OD2-N 3.23Å; D479-N549 PolarHBondContact OD2-ND2 3Å
480	F	95.7	Very high	93.5	Very high	41 Å²	41	30.2 Å²	30.2	18%	0.18	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	160.7	177.3	69.2	-93.3	0	0	0	112.2	F470 V471 H482 N493 Y494 N495 V500	F470-F480 HydrophobicContact CE2-CB 3.7Å; F470-F480 AromaticContact CE2-CD2 3.85Å; F470-F480 HydrophobicContact CE2-CD2 3.85Å; F470-F480 AromaticContact CE2-CG 3.96Å; F470-F480 HydrophobicContact CE2-CG 3.96Å; F470-F480 HydrophobicContact CZ-CB 4.25Å; V471-F480 VanDerWaalsContact O-CA 3.29Å; V471-F480 WeakPolarHBondContact O-CA 3.4Å; V471-F480 WeakPolarHBondContact O-CB 3.35Å; F480-H482 HydrophobicContact CD2-CB 3.97Å; F480-H482 HydrophobicContact CE2-CB 4.03Å; F480-N493 HydrophobicContact CE2-CB 4.09Å; F480-Y494 CarbonylContact O-C 3.58Å; F480-Y494 WeakPolarHBondContact O-CA 3.45Å; F480-Y494 WeakPolarHBondContact O-CB 3.45Å; F480-N495 HydrophobicContact CD1-CB 3.76Å; F480-N495 HydrophobicContact CE1-CB 3.53Å; F480-N495 HydrophobicContact CZ-CB 4.19Å; F480-N495 PolarHBondContact N-O 3.26Å; F480-N495 PolarHBondContact O-N 3Å; F480-V500 HydrophobicContact CE1-CG2 4.12Å; F480-V500 HydrophobicContact CZ-CG1 3.96Å; F480-V500 HydrophobicContact CZ-CG2 4Å
481	I	96.1	Very high	93.4	Very high	5 Å²	5	32.3 Å²	32.3	3%	0.026	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	126.5	163	-68.7	177.4	0	0	0	107.8	D429 F431 F470 V471 L492 M496 F548	D429-I481 HydrophobicContact CB-CD1 4.32Å; F431-I481 HydrophobicContact CE1-CG2 4.27Å; F470-I481 CarbonylContact C-O 3.57Å; F470-I481 WeakPolarHBondContact CA-O 3.26Å; F470-I481 WeakPolarHBondContact CD2-O 2.94Å; V471-I481 PolarHBondContact N-O 3.35Å; V471-I481 PolarHBondContact O-N 2.87Å; I481-L492 HydrophobicContact CG2-CD1 3.65Å; I481-M496 HydrophobicContact CD1-CE 3.77Å; I481-M496 HydrophobicContact CG1-CE 3.51Å; I481-F548 HydrophobicContact CB-CE1 4.11Å; I481-F548 HydrophobicContact CD1-CD1 3.75Å; I481-F548 HydrophobicContact CD1-CE1 3.7Å; I481-F548 HydrophobicContact CG1-CD1 3.97Å; I481-F548 HydrophobicContact CG1-CE1 3.61Å; I481-F548 HydrophobicContact CG1-CZ 4.37Å
482	H	96	Very high	93.3	Very high	13 Å²	13	32.4 Å²	32.4	6%	0.06	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	105.4	179.5	-178.3	-149	0	0	0	110.2	T467 F470 F480 F484 L492 N493	T467-H482 PolarHBondContact OG1-NE2 2.83Å; F470-H482 HydrophobicContact CD2-CB 3.74Å; F470-H482 HydrophobicContact CE2-CB 4.22Å; F480-H482 HydrophobicContact CD2-CB 3.97Å; F480-H482 HydrophobicContact CE2-CB 4.03Å; H482-F484 AromaticContact CE1-CD1 3.51Å; H482-F484 AromaticContact CE1-CG 3.86Å; H482-F484 AromaticContact CG-CD1 3.82Å; H482-F484 AromaticContact ND1-CD1 3.47Å; H482-F484 WeakPolarHBondContact ND1-CD1 3.5Å; H482-F484 AromaticContact ND1-CE1 3.82Å; H482-F484 AromaticContact NE2-CD1 3.89Å; H482-F484 WeakPolarHBondContact O-CD1 3.29Å; H482-L492 CarbonylContact O-C 3.51Å; H482-L492 WeakPolarHBondContact O-CA 3.5Å; H482-N493 HydrophobicContact CB-CB 4.38Å; H482-N493 PolarHBondContact N-O 3.06Å; H482-N493 PolarHBondContact O-N 3.37Å
483	L	97	Very high	93.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	127.4	172	-176.4	76.3	0	0	0	109	F431 L433 L468 L469 V490 L492 I518 L529	F431-L483 HydrophobicContact CD2-CD2 4.2Å; F431-L483 HydrophobicContact CE2-CD1 4.01Å; F431-L483 HydrophobicContact CE2-CD2 3.81Å; F431-L483 HydrophobicContact CE2-CG 4.39Å; F431-L483 HydrophobicContact CZ-CD1 4.26Å; L433-L483 HydrophobicContact CD1-CD2 3.62Å; L468-L483 HydrophobicContact CB-CD2 4.18Å; L468-L483 HydrophobicContact CB-CG 4.34Å; L468-L483 HydrophobicContact CD1-CD2 4.24Å; L468-L483 HydrophobicContact CD1-CG 4.34Å; L468-L483 PolarHBondContact N-O 2.92Å; L469-L483 HydrophobicContact CB-CB 4.12Å; L469-L483 HydrophobicContact CB-CD2 4.41Å; L469-L483 PolarHBondContact N-O 3.21Å; L469-L483 VanDerWaalsContact N-O 3.15Å; L469-L483 PolarHBondContact O-N 2.85Å; L483-V490 HydrophobicContact CD1-CG1 3.67Å; L483-L492 HydrophobicContact CB-CD1 4.21Å; L483-L492 HydrophobicContact CD1-CB 4.41Å; L483-L492 HydrophobicContact CD1-CD1 4.23Å; L483-I518 HydrophobicContact CD1-CG2 4.27Å; L483-I518 HydrophobicContact CD2-CG2 4.09Å; L483-L529 HydrophobicContact CD1-CD1 4.15Å
484	F	95.6	Very high	93	Very high	6 Å²	6	33.6 Å²	33.6	3%	0.026	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	161.1	-176.4	58.9	-81.3	0	0	0	112.1	I465 S466 H482 E486 R491 N493	I465-F484 HydrophobicContact CB-CD2 4.42Å; I465-F484 HydrophobicContact CD1-CE2 4.41Å; I465-F484 HydrophobicContact CG1-CD2 4.27Å; I465-F484 HydrophobicContact CG1-CE2 4.34Å; I465-F484 HydrophobicContact CG2-CB 3.97Å; I465-F484 HydrophobicContact CG2-CD2 3.51Å; I465-F484 HydrophobicContact CG2-CE2 4.2Å; I465-F484 HydrophobicContact CG2-CG 3.92Å; S466-F484 CarbonylContact O-C 3.57Å; S466-F484 WeakPolarHBondContact O-CA 3.41Å; S466-F484 WeakPolarHBondContact O-CB 3.45Å; H482-F484 AromaticContact CE1-CD1 3.51Å; H482-F484 AromaticContact CE1-CG 3.86Å; H482-F484 AromaticContact CG-CD1 3.82Å; H482-F484 AromaticContact ND1-CD1 3.47Å; H482-F484 WeakPolarHBondContact ND1-CD1 3.5Å; H482-F484 AromaticContact ND1-CE1 3.82Å; H482-F484 AromaticContact NE2-CD1 3.89Å; H482-F484 WeakPolarHBondContact O-CD1 3.29Å; F484-E486 HydrophobicContact CD2-CB 4.12Å; F484-E486 HydrophobicContact CE2-CB 3.93Å; F484-R491 HydrophobicContact CD1-CB 4.25Å; F484-R491 HydrophobicContact CD2-CB 3.86Å; F484-R491 HydrophobicContact CD2-CG 4.38Å; F484-R491 HydrophobicContact CE1-CB 3.77Å; F484-R491 HydrophobicContact CE2-CB 3.4Å; F484-R491 HydrophobicContact CE2-CG 3.81Å; F484-R491 HydrophobicContact CG-CB 4.29Å; F484-R491 HydrophobicContact CZ-CB 3.33Å; F484-R491 HydrophobicContact CZ-CG 4.11Å; F484-R491 PolarHBondContact N-O 2.75Å; F484-R491 PolarHBondContact O-N 3.31Å; F484-N493 HydrophobicContact CE1-CB 3.99Å; F484-N493 VanDerWaalsContact CE1-CG 3.45Å; F484-N493 VanDerWaalsContact CE1-ND2 3.34Å; F484-N493 WeakPolarHBondContact CE1-ND2 3.46Å; F484-N493 WeakPolarHBondContact CZ-ND2 3.35Å
485	L	93.5	Very high	93	Very high	9 Å²	9	30.3 Å²	30.3	5%	0.047	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	125.2	165.7	-59	179	0	0	0	108.5	I435 T437 I465 S466 L468 I489 V490 I510 F568	I435-L485 HydrophobicContact CD1-CD1 4.15Å; I435-L485 HydrophobicContact CD1-CD2 4.37Å; T437-L485 HydrophobicContact CG2-CD1 4.18Å; I465-L485 CarbonylContact C-O 3.45Å; I465-L485 VanDerWaalsContact CA-O 3.26Å; I465-L485 WeakPolarHBondContact CA-O 3.33Å; S466-L485 PolarHBondContact N-O 2.85Å; S466-L485 PolarHBondContact O-N 2.78Å; L468-L485 HydrophobicContact CD1-CD2 3.97Å; L468-L485 HydrophobicContact CD1-CG 3.97Å; L468-L485 HydrophobicContact CD2-CD1 4.27Å; L468-L485 HydrophobicContact CD2-CG 4.17Å; L468-L485 HydrophobicContact CG-CG 4.18Å; L485-I489 CarbonylContact C-O 3.29Å; L485-I489 WeakPolarHBondContact CA-O 3.32Å; L485-V490 HydrophobicContact CD2-CG2 3.9Å; L485-I510 HydrophobicContact CD2-CD1 3.89Å; L485-I510 HydrophobicContact CD2-CG1 3.79Å; L485-F568 HydrophobicContact CD1-CE2 4.45Å
486	E	91	Very high	93.1	Very high	40 Å²	40	26.6 Å²	26.6	19%	0.187	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	110.9	168.7	-175.9	-179.3	-151.6	0	0	108.1	N463 I465 F484 G488 I489 R491	N463-E486 HydrophobicContact CB-CG 4.31Å; N463-E486 PolarHBondContact ND2-OE1 2.95Å; I465-E486 HydrophobicContact CG1-CB 4.42Å; I465-E486 HydrophobicContact CG1-CG 4.19Å; F484-E486 HydrophobicContact CD2-CB 4.12Å; F484-E486 HydrophobicContact CE2-CB 3.93Å; E486-G488 PolarHBondContact O-N 2.87Å; E486-I489 PolarHBondContact N-O 3.19Å; E486-I489 PolarHBondContact O-N 2.53Å; E486-R491 HydrophobicContact CB-CG 3.7Å; E486-R491 IonicContact OE2-CZ 3.18Å; E486-R491 IonicContact OE2-NE 2.79Å; E486-R491 PolarHBondContact OE2-NE 2.67Å; E486-R491 IonicContact OE2-NH2 2.78Å
487	S	86.2	Confident	92.9	Very high	65 Å²	65	26.1 Å²	26.1	46%	0.455	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	38.6	-174.4	-52.2	0	0	0	0	112.9	Y464 I489	Y464-S487 PolarHBondContact O-N 2.79Å; S487-I489 VanDerWaalsContact C-N 3.33Å; S487-I489 PolarHBondContact O-N 2.8Å
488	G	88.4	Confident	92.8	Very high	6 Å²	6	22.8 Å²	22.8	6%	0.062	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	86	-10.4	-180	0	0	0	0	0	115.8	E486 P509 I510 N511	E486-G488 PolarHBondContact O-N 2.87Å; G488-P509 CarbonylContact O-C 3.46Å; G488-P509 WeakPolarHBondContact O-CA 3.46Å; G488-I510 WeakPolarHBondContact O-CG1 3.37Å; G488-I510 PolarHBondContact O-N 3.43Å; G488-N511 VanDerWaalsContact CA-CG 3.48Å; G488-N511 WeakPolarHBondContact CA-OD1 3.3Å
489	I	92.4	Very high	92.8	Very high	27 Å²	27	22.4 Å²	22.4	14%	0.138	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	137.7	-178.1	-59.5	173.2	0	0	0	109.8	L485 E486 S487 R491	L485-I489 CarbonylContact C-O 3.29Å; L485-I489 WeakPolarHBondContact CA-O 3.32Å; E486-I489 PolarHBondContact N-O 3.19Å; E486-I489 PolarHBondContact O-N 2.53Å; S487-I489 VanDerWaalsContact C-N 3.33Å; S487-I489 PolarHBondContact O-N 2.8Å; I489-R491 PolarHBondContact O-N 3.21Å
490	V	95.2	Very high	92.6	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.012	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	124.9	178.2	-175.7	0	0	0	0	110.8	L483 L485 G505 I510 I518 L529 V531	L483-V490 HydrophobicContact CD1-CG1 3.67Å; L485-V490 HydrophobicContact CD2-CG2 3.9Å; V490-G505 WeakPolarHBondContact O-CA 3.44Å; V490-G505 PolarHBondContact O-N 3.32Å; V490-I510 HydrophobicContact CG2-CD1 3.24Å; V490-I510 HydrophobicContact CG2-CG1 3.93Å; V490-I518 HydrophobicContact CG1-CD1 4.36Å; V490-I518 HydrophobicContact CG1-CG2 4.11Å; V490-I518 HydrophobicContact CG2-CD1 3.76Å; V490-I518 HydrophobicContact CG2-CG1 4.17Å; V490-L529 HydrophobicContact CG1-CD1 4.43Å; V490-L529 HydrophobicContact CG1-CD2 4.15Å; V490-V531 HydrophobicContact CB-CG2 3.99Å; V490-V531 HydrophobicContact CG1-CG2 4.3Å; V490-V531 HydrophobicContact CG2-CG2 3.77Å
491	R	95.1	Very high	92.4	Very high	49 Å²	49	22.8 Å²	22.8	19%	0.185	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	150.3	174.1	-60.1	-68.3	-163.8	-149.6	-19.4	109.8	F484 E486 I489 S504	F484-R491 HydrophobicContact CD1-CB 4.25Å; F484-R491 HydrophobicContact CD2-CB 3.86Å; F484-R491 HydrophobicContact CD2-CG 4.38Å; F484-R491 HydrophobicContact CE1-CB 3.77Å; F484-R491 HydrophobicContact CE2-CB 3.4Å; F484-R491 HydrophobicContact CE2-CG 3.81Å; F484-R491 HydrophobicContact CG-CB 4.29Å; F484-R491 HydrophobicContact CZ-CB 3.33Å; F484-R491 HydrophobicContact CZ-CG 4.11Å; F484-R491 PolarHBondContact N-O 2.75Å; F484-R491 PolarHBondContact O-N 3.31Å; E486-R491 HydrophobicContact CB-CG 3.7Å; E486-R491 IonicContact OE2-CZ 3.18Å; E486-R491 IonicContact OE2-NE 2.79Å; E486-R491 PolarHBondContact OE2-NE 2.67Å; E486-R491 IonicContact OE2-NH2 2.78Å; I489-R491 PolarHBondContact O-N 3.21Å; R491-S504 PolarHBondContact NH1-OG 2.91Å
492	L	95.4	Very high	92.2	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	115.6	176.6	177.7	69.8	0	0	0	109	F431 I481 H482 L483 I503 I527 L529	F431-L492 HydrophobicContact CE1-CD1 4.34Å; F431-L492 HydrophobicContact CZ-CD1 3.98Å; F431-L492 HydrophobicContact CZ-CD2 4.21Å; I481-L492 HydrophobicContact CG2-CD1 3.65Å; H482-L492 CarbonylContact O-C 3.51Å; H482-L492 WeakPolarHBondContact O-CA 3.5Å; L483-L492 HydrophobicContact CB-CD1 4.21Å; L483-L492 HydrophobicContact CD1-CB 4.41Å; L483-L492 HydrophobicContact CD1-CD1 4.23Å; L492-I503 HydrophobicContact CB-CB 4.09Å; L492-I503 HydrophobicContact CB-CG2 4.28Å; L492-I503 HydrophobicContact CD2-CD1 4.27Å; L492-I503 PolarHBondContact N-O 3.23Å; L492-I503 WeakPolarHBondContact O-CA 3.26Å; L492-I503 WeakPolarHBondContact O-CB 3.31Å; L492-I503 PolarHBondContact O-N 2.71Å; L492-I527 HydrophobicContact CD2-CD1 4.49Å; L492-I527 HydrophobicContact CD2-CG2 3.96Å; L492-L529 HydrophobicContact CB-CD2 4.06Å
493	N	94	Very high	92	Very high	29 Å²	29	28.3 Å²	28.3	16%	0.155	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	139.5	169	-67.4	-14.9	0	0	0	109	F480 H482 F484 V500 V501 H502	F480-N493 HydrophobicContact CE2-CB 4.09Å; H482-N493 HydrophobicContact CB-CB 4.38Å; H482-N493 PolarHBondContact N-O 3.06Å; H482-N493 PolarHBondContact O-N 3.37Å; F484-N493 HydrophobicContact CE1-CB 3.99Å; F484-N493 VanDerWaalsContact CE1-CG 3.45Å; F484-N493 VanDerWaalsContact CE1-ND2 3.34Å; F484-N493 WeakPolarHBondContact CE1-ND2 3.46Å; F484-N493 WeakPolarHBondContact CZ-ND2 3.35Å; N493-V500 HydrophobicContact CB-CG1 4.31Å; N493-V501 WeakPolarHBondContact CA-O 3.43Å; N493-H502 PolarHBondContact ND2-ND1 3.46Å; N493-H502 PolarHBondContact OD1-ND1 3.38Å
494	Y	93.3	Very high	91.6	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.016	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	160.8	173.4	75.6	-84.5	0	0	0	111.8	F480 M496 V500 V501 I503 I527 L540	F480-Y494 CarbonylContact O-C 3.58Å; F480-Y494 WeakPolarHBondContact O-CA 3.45Å; F480-Y494 WeakPolarHBondContact O-CB 3.45Å; Y494-M496 HydrophobicContact CD2-CE 3.77Å; Y494-M496 HydrophobicContact CD2-CG 3.74Å; Y494-M496 HydrophobicContact CD2-SD 4.45Å; Y494-M496 HydrophobicContact CE2-CG 3.88Å; Y494-M496 HydrophobicContact CG-CE 4.44Å; Y494-V500 WeakPolarHBondContact O-CA 3.4Å; Y494-V501 HydrophobicContact CD1-CB 3.86Å; Y494-V501 HydrophobicContact CD1-CG1 4.14Å; Y494-V501 HydrophobicContact CE1-CB 3.47Å; Y494-V501 VanDerWaalsContact CE1-CB 3.47Å; Y494-V501 HydrophobicContact CE1-CG1 3.41Å; Y494-V501 VanDerWaalsContact CE1-CG1 3.41Å; Y494-V501 HydrophobicContact CE1-CG2 4.2Å; Y494-V501 HydrophobicContact CE2-CB 4.32Å; Y494-V501 HydrophobicContact CE2-CG2 4.26Å; Y494-V501 HydrophobicContact CG-CB 4.43Å; Y494-V501 PolarHBondContact N-O 3.42Å; Y494-V501 PolarHBondContact O-N 2.9Å; Y494-I503 HydrophobicContact CD1-CD1 4.25Å; Y494-I503 HydrophobicContact CE1-CD1 3.6Å; Y494-I503 HydrophobicContact CE1-CG1 4.21Å; Y494-I527 HydrophobicContact CD1-CD1 3.73Å; Y494-I527 HydrophobicContact CD2-CD1 4.4Å; Y494-I527 HydrophobicContact CE1-CD1 3.2Å; Y494-I527 HydrophobicContact CE1-CG1 4.45Å; Y494-I527 HydrophobicContact CE2-CD1 3.93Å; Y494-I527 HydrophobicContact CG-CD1 4.26Å; Y494-I527 VanDerWaalsContact OH-CD1 3.27Å; Y494-I527 WeakPolarHBondContact OH-CD1 3.32Å; Y494-L540 HydrophobicContact CE1-CD1 4.47Å; Y494-L540 HydrophobicContact CE2-CD1 4.24Å; Y494-L540 WeakPolarHBondContact OH-CD1 3.39Å
495	N	93	Very high	91.1	Very high	29 Å²	29	30.3 Å²	30.3	16%	0.155	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	126.7	174.9	-177.5	10	0	0	0	108.1	G478 D479 F480 G497 G499 V500	G478-N495 PolarHBondContact O-ND2 3.43Å; D479-N495 CarbonylContact C-O 3.6Å; D479-N495 WeakPolarHBondContact CA-O 3.29Å; D479-N495 VanDerWaalsContact CB-O 3.25Å; D479-N495 WeakPolarHBondContact CB-O 3.45Å; F480-N495 HydrophobicContact CD1-CB 3.76Å; F480-N495 HydrophobicContact CE1-CB 3.53Å; F480-N495 HydrophobicContact CZ-CB 4.19Å; F480-N495 PolarHBondContact N-O 3.26Å; F480-N495 PolarHBondContact O-N 3Å; N495-G497 WeakPolarHBondContact OD1-CA 3.42Å; N495-G497 PolarHBondContact OD1-N 3.01Å; N495-G499 PolarHBondContact OD1-O 2.83Å; N495-V500 HydrophobicContact CB-CG2 4.43Å
496	M	92.5	Very high	90.8	Very high	8 Å²	8	30 Å²	30	4%	0.039	19%	0.191	C	C	.	.	S	Bend	trans	-123.6	21.2	173.6	-53.7	-54	171.7	0	0	110.9	D479 I481 Y494 G545 F548	D479-M496 HydrophobicContact CB-SD 4.37Å; D479-M496 WeakPolarHBondContact OD1-CA 3.31Å; I481-M496 HydrophobicContact CD1-CE 3.77Å; I481-M496 HydrophobicContact CG1-CE 3.51Å; Y494-M496 HydrophobicContact CD2-CE 3.77Å; Y494-M496 HydrophobicContact CD2-CG 3.74Å; Y494-M496 HydrophobicContact CD2-SD 4.45Å; Y494-M496 HydrophobicContact CE2-CG 3.88Å; Y494-M496 HydrophobicContact CG-CE 4.44Å; M496-G545 WeakPolarHBondContact O-CA 3.23Å; M496-F548 HydrophobicContact CE-CB 3.78Å; M496-F548 HydrophobicContact CE-CD1 3.68Å; M496-F548 HydrophobicContact CE-CD2 4.36Å; M496-F548 HydrophobicContact CE-CE1 4.35Å; M496-F548 HydrophobicContact CE-CG 3.68Å; M496-F548 WeakPolarHBondContact SD-CA 3.37Å; M496-F548 HydrophobicContact SD-CB 3.31Å; M496-F548 WeakPolarHBondContact SD-CB 3.04Å; M496-F548 HydrophobicContact SD-CD1 4.18Å; M496-F548 HydrophobicContact SD-CD2 3.89Å; M496-F548 HydrophobicContact SD-CG 3.53Å; M496-F548 VanDerWaalsContact SD-CG 3.53Å
497	G	87.4	Confident	90.7	Very high	28 Å²	28	33.8 Å²	33.8	29%	0.289	21%	0.212	S	C	.	.	S	Bend	trans	94.7	151.7	-163.6	0	0	0	0	0	112.8	D479 N495 G499 Y544 G545	D479-G497 PolarHBondContact OD1-N 3.4Å; N495-G497 WeakPolarHBondContact OD1-CA 3.42Å; N495-G497 PolarHBondContact OD1-N 3.01Å; G497-G499 VanDerWaalsContact C-N 3.31Å; G497-Y544 WeakPolarHBondContact O-CA 3.17Å; G497-G545 PolarHBondContact O-N 2.95Å
498	G	85.7	Confident	90.9	Very high	55 Å²	55	34 Å²	34	57%	0.567	21%	0.205	S	C	*	.	S	Bend	trans	86.8	-6.8	-176.6	0	0	0	0	0	114.8
499	G	89.3	Confident	91	Very high	32 Å²	32	37.2 Å²	37.2	33%	0.33	23%	0.225	S	C	.	.	S	Bend	trans	120.3	172.7	178.6	0	0	0	0	0	112.5	N495 G497	N495-G499 PolarHBondContact OD1-O 2.83Å; G497-G499 VanDerWaalsContact C-N 3.31Å
500	V	91.1	Very high	90.9	Very high	61 Å²	61	36 Å²	36	37%	0.37	22%	0.219	S	C	.	.			trans	-75.8	134.3	177.9	-176.3	0	0	0	0	109.7	F480 N493 Y494 N495	F480-V500 HydrophobicContact CE1-CG2 4.12Å; F480-V500 HydrophobicContact CZ-CG1 3.96Å; F480-V500 HydrophobicContact CZ-CG2 4Å; N493-V500 HydrophobicContact CB-CG1 4.31Å; Y494-V500 WeakPolarHBondContact O-CA 3.4Å; N495-V500 HydrophobicContact CB-CG2 4.43Å
501	V	91.9	Very high	90.6	Very high	9 Å²	9	39.2 Å²	39.2	6%	0.055	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	130.9	174.3	179.1	0	0	0	0	107.9	N493 Y494 I503 L540 Y544	N493-V501 WeakPolarHBondContact CA-O 3.43Å; Y494-V501 HydrophobicContact CD1-CB 3.86Å; Y494-V501 HydrophobicContact CD1-CG1 4.14Å; Y494-V501 HydrophobicContact CE1-CB 3.47Å; Y494-V501 VanDerWaalsContact CE1-CB 3.47Å; Y494-V501 HydrophobicContact CE1-CG1 3.41Å; Y494-V501 VanDerWaalsContact CE1-CG1 3.41Å; Y494-V501 HydrophobicContact CE1-CG2 4.2Å; Y494-V501 HydrophobicContact CE2-CB 4.32Å; Y494-V501 HydrophobicContact CE2-CG2 4.26Å; Y494-V501 HydrophobicContact CG-CB 4.43Å; Y494-V501 PolarHBondContact N-O 3.42Å; Y494-V501 PolarHBondContact O-N 2.9Å; V501-I503 HydrophobicContact CG1-CG1 4.22Å; V501-L540 HydrophobicContact CB-CD1 4.17Å; V501-L540 HydrophobicContact CG1-CD1 3.87Å; V501-L540 HydrophobicContact CG1-CD2 3.81Å; V501-L540 HydrophobicContact CG1-CG 4.4Å; V501-L540 HydrophobicContact CG2-CD1 3.41Å; V501-L540 VanDerWaalsContact CG2-CD1 3.41Å; V501-L540 HydrophobicContact CG2-CD2 4.49Å; V501-Y544 HydrophobicContact CG2-CD1 3.46Å; V501-Y544 VanDerWaalsContact CG2-CD1 3.46Å; V501-Y544 HydrophobicContact CG2-CD2 4.43Å; V501-Y544 HydrophobicContact CG2-CE1 3.32Å; V501-Y544 HydrophobicContact CG2-CE2 4.32Å; V501-Y544 HydrophobicContact CG2-CG 4.02Å
502	H	92.7	Very high	90.3	Very high	129 Å²	129	39.2 Å²	39.2	60%	0.597	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-107.1	113	178.1	-60.5	-74.9	0	0	0	109.5	N493	N493-H502 PolarHBondContact ND2-ND1 3.46Å; N493-H502 PolarHBondContact OD1-ND1 3.38Å
503	I	91.7	Very high	90	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.021	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	127.8	175.4	-72.6	177	0	0	0	108.8	L492 Y494 V501 I527 L529 Y538	L492-I503 HydrophobicContact CB-CB 4.09Å; L492-I503 HydrophobicContact CB-CG2 4.28Å; L492-I503 HydrophobicContact CD2-CD1 4.27Å; L492-I503 PolarHBondContact N-O 3.23Å; L492-I503 WeakPolarHBondContact O-CA 3.26Å; L492-I503 WeakPolarHBondContact O-CB 3.31Å; L492-I503 PolarHBondContact O-N 2.71Å; Y494-I503 HydrophobicContact CD1-CD1 4.25Å; Y494-I503 HydrophobicContact CE1-CD1 3.6Å; Y494-I503 HydrophobicContact CE1-CG1 4.21Å; V501-I503 HydrophobicContact CG1-CG1 4.22Å; I503-I527 HydrophobicContact CD1-CB 3.78Å; I503-I527 HydrophobicContact CD1-CD1 3.84Å; I503-I527 HydrophobicContact CD1-CG1 4.32Å; I503-I527 HydrophobicContact CD1-CG2 3.71Å; I503-L529 HydrophobicContact CG2-CB 4.48Å; I503-L529 HydrophobicContact CG2-CD2 3.98Å; I503-Y538 HydrophobicContact CB-CD2 4.49Å; I503-Y538 HydrophobicContact CB-CE2 4.46Å; I503-Y538 HydrophobicContact CD1-CD2 4.04Å; I503-Y538 HydrophobicContact CD1-CG 4.11Å; I503-Y538 HydrophobicContact CG1-CD1 4.5Å; I503-Y538 HydrophobicContact CG1-CD2 4.14Å; I503-Y538 HydrophobicContact CG1-CG 4.11Å; I503-Y538 HydrophobicContact CG2-CD2 3.63Å; I503-Y538 HydrophobicContact CG2-CE2 3.37Å; I503-Y538 HydrophobicContact CG2-CG 4.4Å
504	S	88.9	Confident	90	Very high	46 Å²	46	40.6 Å²	40.6	32%	0.322	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	124.3	170.1	-64.5	0	0	0	0	109.4	R491 Y538	R491-S504 PolarHBondContact NH1-OG 2.91Å; S504-Y538 PolarHBondContact O-OH 3.13Å
505	G	85	Confident	90.1	Very high	2 Å²	2	41.1 Å²	41.1	2%	0.021	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	-172.7	169.6	0	0	0	0	0	112	V490 N507 H536	V490-G505 WeakPolarHBondContact O-CA 3.44Å; V490-G505 PolarHBondContact O-N 3.32Å; G505-N507 PolarHBondContact O-N 2.91Å; G505-H536 PolarHBondContact O-ND1 2.94Å
506	P	87.6	Confident	90.2	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.019	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-47.3	131.5	163.5	-27.5	37.3	0	0	0	111.4	F508 V531 S534	P506-F508 HydrophobicContact CB-CD1 3.72Å; P506-F508 HydrophobicContact CB-CE1 3.22Å; P506-F508 HydrophobicContact CB-CZ 3.89Å; P506-F508 HydrophobicContact CG-CE1 4.27Å; P506-F508 PolarHBondContact O-N 3.4Å; P506-V531 HydrophobicContact CG-CB 4.02Å; P506-V531 HydrophobicContact CG-CG2 4.14Å; P506-S534 WeakPolarHBondContact CB-OG 3.36Å; P506-S534 WeakPolarHBondContact CG-O 3.47Å; P506-S534 VanDerWaalsContact CG-OG 3.3Å; P506-S534 WeakPolarHBondContact CG-OG 3.36Å
507	N	87.5	Confident	90.3	Very high	120 Å²	120	40.6 Å²	40.6	64%	0.642	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.3	56.2	-167.8	-167.8	51.7	0	0	0	112.4	G505	G505-N507 PolarHBondContact O-N 2.91Å
508	F	90.1	Very high	90.7	Very high	68 Å²	68	39.2 Å²	39.2	30%	0.298	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	143.4	172.1	56.2	-97.8	0	0	0	110.3	P506 I510 V531	P506-F508 HydrophobicContact CB-CD1 3.72Å; P506-F508 HydrophobicContact CB-CE1 3.22Å; P506-F508 HydrophobicContact CB-CZ 3.89Å; P506-F508 HydrophobicContact CG-CE1 4.27Å; P506-F508 PolarHBondContact O-N 3.4Å; F508-I510 HydrophobicContact CD2-CG2 3.69Å; F508-I510 HydrophobicContact CE2-CG2 3.53Å; F508-V531 HydrophobicContact CE2-CG1 3.82Å; F508-V531 HydrophobicContact CZ-CB 4.09Å; F508-V531 HydrophobicContact CZ-CG1 3.86Å
509	P	90.6	Very high	91.2	Very high	75 Å²	75	36.7 Å²	36.7	49%	0.487	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	138.5	177	28.4	-32.9	0	0	0	110.6	G488 N511	G488-P509 CarbonylContact O-C 3.46Å; G488-P509 WeakPolarHBondContact O-CA 3.46Å; P509-N511 WeakPolarHBondContact CB-OD1 3.3Å
510	I	91.6	Very high	91.5	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	19%	0.188	C	C	.	.			trans	-118.7	17.8	176	65	165.8	0	0	0	112.5	I435 L485 G488 V490 F508 D512 H516 I518 V531	I435-I510 HydrophobicContact CD1-CD1 3.59Å; I435-I510 HydrophobicContact CD1-CG1 4.27Å; I435-I510 HydrophobicContact CG1-CD1 4.21Å; L485-I510 HydrophobicContact CD2-CD1 3.89Å; L485-I510 HydrophobicContact CD2-CG1 3.79Å; G488-I510 WeakPolarHBondContact O-CG1 3.37Å; G488-I510 PolarHBondContact O-N 3.43Å; V490-I510 HydrophobicContact CG2-CD1 3.24Å; V490-I510 HydrophobicContact CG2-CG1 3.93Å; F508-I510 HydrophobicContact CD2-CG2 3.69Å; F508-I510 HydrophobicContact CE2-CG2 3.53Å; I510-D512 VanDerWaalsContact C-N 3.26Å; I510-H516 HydrophobicContact CB-CB 4.19Å; I510-H516 HydrophobicContact CD1-CB 4.17Å; I510-H516 HydrophobicContact CG2-CB 4.4Å; I510-H516 PolarHBondContact O-CD2 2.97Å; I510-I518 HydrophobicContact CD1-CD1 3.77Å; I510-I518 HydrophobicContact CD1-CG1 4.1Å; I510-V531 HydrophobicContact CD1-CG1 4.34Å; I510-V531 HydrophobicContact CG2-CG1 3.84Å
511	N	89	Confident	91.6	Very high	69 Å²	69	33.3 Å²	33.3	37%	0.369	17%	0.174	S	C	.	.			trans	-94.8	31.7	173.7	65.9	-39.9	0	0	0	112	T437 G488 P509 G513	T437-N511 HydrophobicContact CG2-CB 4.15Å; T437-N511 VanDerWaalsContact OG1-C 3.26Å; T437-N511 VanDerWaalsContact OG1-CA 3.22Å; T437-N511 WeakPolarHBondContact OG1-CA 3.28Å; T437-N511 PolarHBondContact OG1-O 2.9Å; G488-N511 VanDerWaalsContact CA-CG 3.48Å; G488-N511 WeakPolarHBondContact CA-OD1 3.3Å; P509-N511 WeakPolarHBondContact CB-OD1 3.3Å; N511-G513 VanDerWaalsContact C-N 3.31Å
512	D	89.1	Confident	91.6	Very high	49 Å²	49	33.1 Å²	33.1	26%	0.262	17%	0.172	S	C	.	.	S	Bend	trans	-86.9	-1.6	-176	63.6	1.5	0	0	0	113.3	I510 F514 H516	I510-D512 VanDerWaalsContact C-N 3.26Å; D512-F514 VanDerWaalsContact C-N 3.29Å; D512-F514 HydrophobicContact CB-CD2 4.18Å; D512-F514 WeakPolarHBondContact OD1-CB 3.44Å; D512-F514 PolarHBondContact OD1-N 3.42Å; D512-H516 IonicContact OD1-CD2 2.7Å; D512-H516 IonicContact OD1-NE2 2.66Å; D512-H516 PolarHBondContact OD1-NE2 3Å; D512-H516 IonicContact OD2-CE1 2.82Å; D512-H516 IonicContact OD2-NE2 2.87Å; D512-H516 PolarHBondContact OD2-NE2 3.33Å
513	G	88.9	Confident	91.5	Very high	6 Å²	6	28.3 Å²	28.3	6%	0.062	15%	0.152	C	C	.	.	S	Bend	trans	80.9	4.5	-178.1	0	0	0	0	0	114.6	Q436 T437 N511	Q436-G513 VanDerWaalsContact CG-O 3.31Å; Q436-G513 WeakPolarHBondContact CG-O 2.99Å; T437-G513 WeakPolarHBondContact O-CA 3.49Å; N511-G513 VanDerWaalsContact C-N 3.31Å
514	F	93.2	Very high	91.3	Very high	55 Å²	55	29.6 Å²	29.6	24%	0.241	16%	0.159	C	C	.	.	S	Bend	trans	-89.8	164.6	168.3	-65.8	-87.4	0	0	0	110.8	D512 H516 K612 L614	D512-F514 VanDerWaalsContact C-N 3.29Å; D512-F514 HydrophobicContact CB-CD2 4.18Å; D512-F514 WeakPolarHBondContact OD1-CB 3.44Å; D512-F514 PolarHBondContact OD1-N 3.42Å; F514-H516 PolarHBondContact O-CD2 3.42Å; F514-K612 CarbonylContact C-O 3.59Å; F514-K612 VanDerWaalsContact CA-O 3.26Å; F514-K612 WeakPolarHBondContact CA-O 3.26Å; F514-K612 WeakPolarHBondContact CB-O 3.35Å; F514-K612 HydrophobicContact CD1-CD 4Å; F514-K612 HydrophobicContact CD1-CG 3.75Å; F514-K612 WeakPolarHBondContact CD1-O 3.36Å; F514-K612 HydrophobicContact CE1-CD 4.07Å; F514-K612 HydrophobicContact CE1-CG 4Å; F514-L614 HydrophobicContact CB-CD1 4.03Å; F514-L614 HydrophobicContact CD1-CB 4.33Å; F514-L614 HydrophobicContact CD1-CD1 4.19Å; F514-L614 HydrophobicContact CD1-CG 4.43Å; F514-L614 HydrophobicContact CD2-CD1 3.65Å; F514-L614 HydrophobicContact CE2-CD1 4.08Å; F514-L614 HydrophobicContact CG-CD1 3.7Å; F514-L614 HydrophobicContact CG-CG 4.43Å
515	Y	94.7	Very high	91.3	Very high	14 Å²	14	30.6 Å²	30.6	6%	0.055	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	125.5	178.4	-174.6	-87.9	0	0	0	110.2	T367 F368 G434 I435 Q436 T573 F609 P611 K612 L613	T367-Y515 VanDerWaalsContact CB-OH 3.24Å; T367-Y515 WeakPolarHBondContact CB-OH 3.37Å; T367-Y515 PolarHBondContact OG1-OH 2.97Å; F368-Y515 AromaticContact CE2-CE1 3.98Å; F368-Y515 HydrophobicContact CE2-CE1 3.98Å; F368-Y515 HydrophobicContact CZ-CD1 4.44Å; F368-Y515 AromaticContact CZ-CE1 3.84Å; F368-Y515 HydrophobicContact CZ-CE1 3.84Å; G434-Y515 WeakPolarHBondContact CA-OH 3.42Å; I435-Y515 CarbonylContact O-C 3.58Å; I435-Y515 WeakPolarHBondContact O-CA 3.28Å; Q436-Y515 HydrophobicContact CB-CD2 4.35Å; Y515-T573 HydrophobicContact CE2-CG2 4.22Å; Y515-F609 HydrophobicContact CD2-CE1 4.07Å; Y515-F609 HydrophobicContact CD2-CZ 4.31Å; Y515-F609 HydrophobicContact CE2-CE1 4.06Å; Y515-P611 HydrophobicContact CD1-CB 4.33Å; Y515-P611 HydrophobicContact CD2-CB 3.5Å; Y515-P611 VanDerWaalsContact CD2-CB 3.5Å; Y515-P611 HydrophobicContact CE2-CB 4.1Å; Y515-P611 HydrophobicContact CG-CB 3.61Å; Y515-K612 PolarHBondContact N-O 3.04Å; Y515-L613 HydrophobicContact CD1-CD2 4.12Å; Y515-L613 HydrophobicContact CG-CD2 4.43Å
516	H	95.2	Very high	91.6	Very high	11 Å²	11	33 Å²	33	5%	0.051	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	146.6	177.3	-67.4	-79.7	0	0	0	110.8	G434 I435 I510 D512 F514 D532	G434-H516 CarbonylContact C-O 3.57Å; G434-H516 WeakPolarHBondContact CA-O 3.48Å; I435-H516 HydrophobicContact CG1-CB 4.37Å; I435-H516 PolarHBondContact N-O 3.35Å; I435-H516 PolarHBondContact O-N 3.49Å; I510-H516 HydrophobicContact CB-CB 4.19Å; I510-H516 HydrophobicContact CD1-CB 4.17Å; I510-H516 HydrophobicContact CG2-CB 4.4Å; I510-H516 PolarHBondContact O-CD2 2.97Å; D512-H516 IonicContact OD1-CD2 2.7Å; D512-H516 IonicContact OD1-NE2 2.66Å; D512-H516 PolarHBondContact OD1-NE2 3Å; D512-H516 IonicContact OD2-CE1 2.82Å; D512-H516 IonicContact OD2-NE2 2.87Å; D512-H516 PolarHBondContact OD2-NE2 3.33Å; F514-H516 PolarHBondContact O-CD2 3.42Å; H516-D532 WeakPolarHBondContact CA-OD1 3.07Å; H516-D532 IonicContact CE1-OD2 3.62Å; H516-D532 IonicContact CG-OD2 3Å; H516-D532 IonicContact ND1-OD1 3.45Å; H516-D532 IonicContact ND1-OD2 2.77Å; H516-D532 PolarHBondContact ND1-OD2 3.02Å
517	R	95.4	Very high	91.8	Very high	15 Å²	15	33.1 Å²	33.1	6%	0.057	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	124.8	176.9	-178.9	178.4	65.3	-171.8	3.9	110	N348 D349 T366 T367 R519 E530 V531 D532	N348-R517 PolarHBondContact O-NH1 3.38Å; D349-R517 IonicContact OD2-CZ 3.91Å; D349-R517 IonicContact OD2-NH1 2.73Å; D349-R517 PolarHBondContact OD2-NH1 2.91Å; D349-R517 IonicContact OD2-NH2 3.74Å; D349-R517 PolarHBondContact OD2-NH2 2.95Å; T366-R517 WeakPolarHBondContact O-CD 3.33Å; T367-R517 HydrophobicContact CG2-CG 3.92Å; R517-R519 HydrophobicContact CG-CG 4.28Å; R517-R519 VanDerWaalsContact CZ-NH1 3.33Å; R517-R519 VanDerWaalsContact NE-CZ 3.34Å; R517-E530 IonicContact NH2-OE1 3.76Å; R517-V531 CarbonylContact O-C 3.6Å; R517-V531 WeakPolarHBondContact O-CA 3.25Å; R517-D532 PolarHBondContact N-OD1 2.88Å; R517-D532 PolarHBondContact O-N 3.01Å
518	I	96.4	Very high	92.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	129.5	176.5	-52.1	169.5	0	0	0	108.5	I432 L433 I435 L468 L483 V490 I510 L529 E530 V531	I432-I518 CarbonylContact C-O 3.54Å; I432-I518 WeakPolarHBondContact CA-O 3.4Å; L433-I518 PolarHBondContact N-O 3.4Å; L433-I518 PolarHBondContact O-N 2.9Å; I435-I518 HydrophobicContact CD1-CD1 3.92Å; I435-I518 HydrophobicContact CG1-CD1 4.28Å; L468-I518 HydrophobicContact CD1-CD1 3.58Å; L483-I518 HydrophobicContact CD1-CG2 4.27Å; L483-I518 HydrophobicContact CD2-CG2 4.09Å; V490-I518 HydrophobicContact CG1-CD1 4.36Å; V490-I518 HydrophobicContact CG1-CG2 4.11Å; V490-I518 HydrophobicContact CG2-CD1 3.76Å; V490-I518 HydrophobicContact CG2-CG1 4.17Å; I510-I518 HydrophobicContact CD1-CD1 3.77Å; I510-I518 HydrophobicContact CD1-CG1 4.1Å; I518-L529 HydrophobicContact CG2-CD1 4.07Å; I518-E530 CarbonylContact C-O 3.56Å; I518-E530 WeakPolarHBondContact CA-O 3.34Å; I518-V531 HydrophobicContact CG1-CG2 4.45Å; I518-V531 HydrophobicContact CG2-CG2 4.45Å
519	R	95.9	Very high	92.4	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.008	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	139.7	174.3	-54.5	174.1	166.5	152.4	-10.6	110.6	D349 L365 F431 I432 R517 Y521 E530 S644	D349-R519 IonicContact OD2-CZ 3.32Å; D349-R519 IonicContact OD2-NH1 2.63Å; D349-R519 PolarHBondContact OD2-NH1 2.81Å; D349-R519 VanDerWaalsContact OD2-NH1 3.12Å; D349-R519 IonicContact OD2-NH2 2.96Å; D349-R519 PolarHBondContact OD2-NH2 3.21Å; L365-R519 PolarHBondContact O-NH2 2.93Å; F431-R519 CarbonylContact O-C 3.53Å; F431-R519 WeakPolarHBondContact O-CA 3.32Å; I432-R519 HydrophobicContact CB-CG 4.49Å; I432-R519 HydrophobicContact CD1-CG 4.5Å; I432-R519 HydrophobicContact CG1-CB 4.27Å; I432-R519 HydrophobicContact CG1-CG 4.02Å; I432-R519 HydrophobicContact CG2-CG 4.01Å; R517-R519 HydrophobicContact CG-CG 4.28Å; R517-R519 VanDerWaalsContact CZ-NH1 3.33Å; R517-R519 VanDerWaalsContact NE-CZ 3.34Å; R519-Y521 HydrophobicContact CB-CE2 3.72Å; R519-E530 HydrophobicContact CB-CB 4.23Å; R519-E530 IonicContact CZ-OE1 3.81Å; R519-E530 PolarHBondContact N-O 2.89Å; R519-E530 IonicContact NH1-OE1 3.8Å; R519-E530 PolarHBondContact NH1-OE1 3.17Å; R519-E530 PolarHBondContact O-N 2.9Å; R519-S644 PolarHBondContact NH1-O 3.07Å; R519-S644 PolarHBondContact NH1-OG 2.99Å
520	G	95	Very high	92.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	136.6	173.9	0	0	0	0	0	111.4	E430 F431 I528	E430-G520 WeakPolarHBondContact CA-O 3.29Å; F431-G520 PolarHBondContact N-O 3.25Å; F431-G520 PolarHBondContact O-N 3.39Å; G520-I528 CarbonylContact C-O 3.6Å; G520-I528 VanDerWaalsContact CA-O 3.32Å; G520-I528 WeakPolarHBondContact CA-O 3.36Å
521	Y	93	Very high	92.7	Very high	22 Å²	22	21.5 Å²	21.5	9%	0.086	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	123	177.7	-55.5	-92.9	0	0	0	108.4	D429 E430 R519 I527 I528 F649	D429-Y521 CarbonylContact O-C 3.55Å; D429-Y521 WeakPolarHBondContact O-CA 3.47Å; E430-Y521 HydrophobicContact CB-CD1 4.41Å; E430-Y521 HydrophobicContact CG-CD1 3.85Å; E430-Y521 HydrophobicContact CG-CE1 3.74Å; E430-Y521 WeakPolarHBondContact OE1-CE1 3.39Å; R519-Y521 HydrophobicContact CB-CE2 3.72Å; Y521-I527 CarbonylContact O-C 3.51Å; Y521-I527 VanDerWaalsContact O-CA 3.25Å; Y521-I527 WeakPolarHBondContact O-CA 3.49Å; Y521-I528 HydrophobicContact CD2-CB 4.28Å; Y521-I528 HydrophobicContact CD2-CG2 4.08Å; Y521-I528 PolarHBondContact N-O 2.97Å; Y521-I528 PolarHBondContact O-N 2.87Å; Y521-F649 WeakPolarHBondContact O-CE2 3.41Å
522	R	92.9	Very high	92.8	Very high	5 Å²	5	20.2 Å²	20.2	2%	0.019	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	134.3	172.8	-177.5	-175.7	77.8	80.9	-0.7	109.5	T426 R427 Q428 D429 D524 Q526 I527 K546	T426-R522 PolarHBondContact O-NH2 3.48Å; T426-R522 PolarHBondContact OG1-NH2 2.75Å; R427-R522 PolarHBondContact O-NH1 2.76Å; Q428-R522 CarbonylContact C-O 3.55Å; Q428-R522 WeakPolarHBondContact CA-O 3.35Å; D429-R522 HydrophobicContact CB-CB 4.27Å; D429-R522 PolarHBondContact N-O 2.81Å; D429-R522 PolarHBondContact O-N 2.88Å; D429-R522 IonicContact OD2-CZ 2.76Å; D429-R522 IonicContact OD2-NE 3.91Å; D429-R522 PolarHBondContact OD2-NE 2.84Å; D429-R522 IonicContact OD2-NH2 2.82Å; D429-R522 PolarHBondContact OD2-NH2 2.85Å; R522-D524 PolarHBondContact NH1-O 2.97Å; R522-Q526 CarbonylContact C-O 3.59Å; R522-Q526 WeakPolarHBondContact CA-O 3.5Å; R522-I527 HydrophobicContact CB-CD1 4.28Å; R522-I527 HydrophobicContact CB-CG1 3.86Å; R522-I527 HydrophobicContact CG-CD1 3.97Å; R522-I527 HydrophobicContact CG-CG1 3.63Å; R522-K546 PolarHBondContact NH1-O 2.83Å
523	V	89.3	Confident	92.7	Very high	27 Å²	27	22 Å²	22	16%	0.164	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	119.4	164.9	175.1	0	0	0	0	108.1	Q428 R525 Q526 F649	Q428-V523 HydrophobicContact CB-CG2 4.18Å; Q428-V523 HydrophobicContact CG-CG2 3.85Å; V523-R525 PolarHBondContact O-N 3.19Å; V523-Q526 PolarHBondContact N-O 2.83Å; V523-Q526 WeakPolarHBondContact O-CB 3.38Å; V523-Q526 PolarHBondContact O-N 3.32Å; V523-F649 HydrophobicContact CB-CB 4.11Å; V523-F649 HydrophobicContact CB-CD2 4.03Å; V523-F649 HydrophobicContact CB-CG 4.3Å; V523-F649 HydrophobicContact CG2-CB 3.94Å; V523-F649 HydrophobicContact CG2-CD2 3.62Å; V523-F649 HydrophobicContact CG2-CE2 4.41Å; V523-F649 HydrophobicContact CG2-CG 4.17Å
524	D	88.6	Confident	92.8	Very high	32 Å²	32	23.7 Å²	23.7	17%	0.171	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	-107.1	-172	-77.5	-9.8	0	0	0	111.7	R427 R522 K546	R427-D524 IonicContact CZ-OD1 3.45Å; R427-D524 IonicContact CZ-OD2 3.12Å; R427-D524 IonicContact NE-OD1 2.72Å; R427-D524 PolarHBondContact NE-OD1 2.96Å; R427-D524 IonicContact NH2-OD1 3.75Å; R427-D524 PolarHBondContact NH2-OD1 3.49Å; R427-D524 IonicContact NH2-OD2 2.68Å; R427-D524 PolarHBondContact NH2-OD2 3.27Å; R427-D524 PolarHBondContact O-N 3.02Å; R522-D524 PolarHBondContact NH1-O 2.97Å; D524-K546 HydrophobicContact CB-CB 4.33Å; D524-K546 HydrophobicContact CB-CD 4.17Å; D524-K546 HydrophobicContact CB-CG 4.09Å; D524-K546 IonicContact OD2-NZ 3.53Å; D524-K546 PolarHBondContact OD2-NZ 3.34Å
525	R	88.5	Confident	92.6	Very high	67 Å²	67	26.3 Å²	26.3	25%	0.253	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	2.5	-178.3	-73.5	-169.6	-57	-97.8	-4.3	113.2	V523 L540 N541 Y544 K546	V523-R525 PolarHBondContact O-N 3.19Å; R525-L540 HydrophobicContact CB-CB 4.13Å; R525-L540 WeakPolarHBondContact CD-O 3.34Å; R525-L540 PolarHBondContact NE-O 2.8Å; R525-L540 PolarHBondContact O-N 3.02Å; R525-N541 VanDerWaalsContact CD-O 3.26Å; R525-N541 WeakPolarHBondContact CD-O 3.2Å; R525-Y544 WeakPolarHBondContact CD-O 3.42Å; R525-K546 HydrophobicContact CG-CG 4.09Å
526	Q	91	Very high	92.4	Very high	53 Å²	53	28.7 Å²	28.7	25%	0.248	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	131.6	178.7	-161.3	176.9	10.2	0	0	109.3	R522 V523 T537 Y538 F649	R522-Q526 CarbonylContact C-O 3.59Å; R522-Q526 WeakPolarHBondContact CA-O 3.5Å; V523-Q526 PolarHBondContact N-O 2.83Å; V523-Q526 WeakPolarHBondContact O-CB 3.38Å; V523-Q526 PolarHBondContact O-N 3.32Å; Q526-T537 HydrophobicContact CG-CG2 4.23Å; Q526-Y538 CarbonylContact C-O 3.59Å; Q526-Y538 VanDerWaalsContact CA-O 3.31Å; Q526-Y538 WeakPolarHBondContact CA-O 3.49Å; Q526-F649 HydrophobicContact CB-CD1 4.49Å; Q526-F649 HydrophobicContact CB-CE1 4.16Å; Q526-F649 HydrophobicContact CB-CZ 4.41Å; Q526-F649 HydrophobicContact CG-CD1 3.93Å; Q526-F649 HydrophobicContact CG-CE1 3.37Å; Q526-F649 HydrophobicContact CG-CZ 3.92Å
527	I	92.6	Very high	92.2	Very high	5 Å²	5	31.4 Å²	31.4	3%	0.026	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	134.6	177	-65.7	-173.3	0	0	0	110	L492 Y494 I503 Y521 R522 T537 Y538	L492-I527 HydrophobicContact CD2-CD1 4.49Å; L492-I527 HydrophobicContact CD2-CG2 3.96Å; Y494-I527 HydrophobicContact CD1-CD1 3.73Å; Y494-I527 HydrophobicContact CD2-CD1 4.4Å; Y494-I527 HydrophobicContact CE1-CD1 3.2Å; Y494-I527 HydrophobicContact CE1-CG1 4.45Å; Y494-I527 HydrophobicContact CE2-CD1 3.93Å; Y494-I527 HydrophobicContact CG-CD1 4.26Å; Y494-I527 VanDerWaalsContact OH-CD1 3.27Å; Y494-I527 WeakPolarHBondContact OH-CD1 3.32Å; I503-I527 HydrophobicContact CD1-CB 3.78Å; I503-I527 HydrophobicContact CD1-CD1 3.84Å; I503-I527 HydrophobicContact CD1-CG1 4.32Å; I503-I527 HydrophobicContact CD1-CG2 3.71Å; Y521-I527 CarbonylContact O-C 3.51Å; Y521-I527 VanDerWaalsContact O-CA 3.25Å; Y521-I527 WeakPolarHBondContact O-CA 3.49Å; R522-I527 HydrophobicContact CB-CD1 4.28Å; R522-I527 HydrophobicContact CB-CG1 3.86Å; R522-I527 HydrophobicContact CG-CD1 3.97Å; R522-I527 HydrophobicContact CG-CG1 3.63Å; I527-T537 CarbonylContact O-C 3.58Å; I527-T537 WeakPolarHBondContact O-CA 3.46Å; I527-Y538 PolarHBondContact N-O 3.45Å; I527-Y538 PolarHBondContact O-N 2.77Å
528	I	93.5	Very high	91.9	Very high	6 Å²	6	34 Å²	34	3%	0.031	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	132.8	164.1	-74.5	159	0	0	0	107.2	G520 Y521 H536 T537 F649	G520-I528 CarbonylContact C-O 3.6Å; G520-I528 VanDerWaalsContact CA-O 3.32Å; G520-I528 WeakPolarHBondContact CA-O 3.36Å; Y521-I528 HydrophobicContact CD2-CB 4.28Å; Y521-I528 HydrophobicContact CD2-CG2 4.08Å; Y521-I528 PolarHBondContact N-O 2.97Å; Y521-I528 PolarHBondContact O-N 2.87Å; I528-H536 VanDerWaalsContact CA-O 3.31Å; I528-H536 WeakPolarHBondContact CA-O 3.4Å; I528-T537 HydrophobicContact CG1-CG2 3.94Å; I528-T537 WeakPolarHBondContact CG1-OG1 3.43Å; I528-F649 HydrophobicContact CB-CE2 4.35Å; I528-F649 HydrophobicContact CB-CZ 3.79Å; I528-F649 HydrophobicContact CD1-CD1 4.05Å; I528-F649 HydrophobicContact CD1-CD2 4.45Å; I528-F649 HydrophobicContact CD1-CE1 3.23Å; I528-F649 HydrophobicContact CD1-CE2 3.75Å; I528-F649 HydrophobicContact CD1-CZ 3.13Å; I528-F649 HydrophobicContact CG1-CE1 3.56Å; I528-F649 HydrophobicContact CG1-CE2 4.12Å; I528-F649 HydrophobicContact CG1-CZ 3.22Å
529	L	95.2	Very high	91.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	121.8	167.4	-176.2	62.2	0	0	0	107.9	F431 L483 V490 L492 I503 I518 H536	F431-L529 HydrophobicContact CE2-CD1 4.29Å; F431-L529 HydrophobicContact CZ-CD1 4.29Å; L483-L529 HydrophobicContact CD1-CD1 4.15Å; V490-L529 HydrophobicContact CG1-CD1 4.43Å; V490-L529 HydrophobicContact CG1-CD2 4.15Å; L492-L529 HydrophobicContact CB-CD2 4.06Å; I503-L529 HydrophobicContact CG2-CB 4.48Å; I503-L529 HydrophobicContact CG2-CD2 3.98Å; I518-L529 HydrophobicContact CG2-CD1 4.07Å; L529-H536 PolarHBondContact N-O 3.43Å; L529-H536 PolarHBondContact O-N 2.88Å
530	E	94.2	Very high	90.7	Very high	11 Å²	11	42.7 Å²	42.7	5%	0.051	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	134.6	-178.5	177.5	-178.5	142.3	0	0	109.2	R517 I518 R519 D532 S534 R535 S644	R517-E530 IonicContact NH2-OE1 3.76Å; I518-E530 CarbonylContact C-O 3.56Å; I518-E530 WeakPolarHBondContact CA-O 3.34Å; R519-E530 HydrophobicContact CB-CB 4.23Å; R519-E530 IonicContact CZ-OE1 3.81Å; R519-E530 PolarHBondContact N-O 2.89Å; R519-E530 IonicContact NH1-OE1 3.8Å; R519-E530 PolarHBondContact NH1-OE1 3.17Å; R519-E530 PolarHBondContact O-N 2.9Å; E530-D532 WeakPolarHBondContact CG-O 3.15Å; E530-S534 CarbonylContact C-O 3.43Å; E530-S534 VanDerWaalsContact CA-O 3.31Å; E530-S534 WeakPolarHBondContact CA-O 3.43Å; E530-R535 HydrophobicContact CB-CB 4.26Å; E530-R535 HydrophobicContact CG-CB 4.34Å; E530-S644 WeakPolarHBondContact OE1-CB 3.27Å; E530-S644 PolarHBondContact OE1-OG 3.3Å
531	V	94.3	Very high	90.2	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.012	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	114.9	171.8	-177.3	0	0	0	0	106.5	V490 P506 F508 I510 R517 I518 D533 S534	V490-V531 HydrophobicContact CB-CG2 3.99Å; V490-V531 HydrophobicContact CG1-CG2 4.3Å; V490-V531 HydrophobicContact CG2-CG2 3.77Å; P506-V531 HydrophobicContact CG-CB 4.02Å; P506-V531 HydrophobicContact CG-CG2 4.14Å; F508-V531 HydrophobicContact CE2-CG1 3.82Å; F508-V531 HydrophobicContact CZ-CB 4.09Å; F508-V531 HydrophobicContact CZ-CG1 3.86Å; I510-V531 HydrophobicContact CD1-CG1 4.34Å; I510-V531 HydrophobicContact CG2-CG1 3.84Å; R517-V531 CarbonylContact O-C 3.6Å; R517-V531 WeakPolarHBondContact O-CA 3.25Å; I518-V531 HydrophobicContact CG1-CG2 4.45Å; I518-V531 HydrophobicContact CG2-CG2 4.45Å; V531-D533 PolarHBondContact O-N 3.45Å; V531-D533 VanDerWaalsContact O-N 3.14Å; V531-S534 PolarHBondContact N-O 3.15Å; V531-S534 PolarHBondContact O-N 2.87Å
532	D	92	Very high	89.5	Confident	42 Å²	42	52.3 Å²	52.3	23%	0.225	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	-107.6	-169	-52.3	-43	0	0	0	111.6	H516 R517 E530	H516-D532 WeakPolarHBondContact CA-OD1 3.07Å; H516-D532 IonicContact CE1-OD2 3.62Å; H516-D532 IonicContact CG-OD2 3Å; H516-D532 IonicContact ND1-OD1 3.45Å; H516-D532 IonicContact ND1-OD2 2.77Å; H516-D532 PolarHBondContact ND1-OD2 3.02Å; R517-D532 PolarHBondContact N-OD1 2.88Å; R517-D532 PolarHBondContact O-N 3.01Å; E530-D532 WeakPolarHBondContact CG-O 3.15Å
533	D	87.4	Confident	89.2	Confident	87 Å²	87	57.2 Å²	57.2	47%	0.465	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-6.9	176.8	-65.3	-38.5	0	0	0	113.1	V531 F642	V531-D533 PolarHBondContact O-N 3.45Å; V531-D533 VanDerWaalsContact O-N 3.14Å; D533-F642 WeakPolarHBondContact OD1-CD1 3.47Å; D533-F642 VanDerWaalsContact OD2-CD1 3.27Å; D533-F642 WeakPolarHBondContact OD2-CD1 3.29Å; D533-F642 WeakPolarHBondContact OD2-CE1 3.37Å
534	S	91.1	Very high	88.9	Confident	42 Å²	42	59.1 Å²	59.1	29%	0.294	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	116.7	-176.7	-174.1	0	0	0	0	110.5	P506 E530 V531	P506-S534 WeakPolarHBondContact CB-OG 3.36Å; P506-S534 WeakPolarHBondContact CG-O 3.47Å; P506-S534 VanDerWaalsContact CG-OG 3.3Å; P506-S534 WeakPolarHBondContact CG-OG 3.36Å; E530-S534 CarbonylContact C-O 3.43Å; E530-S534 VanDerWaalsContact CA-O 3.31Å; E530-S534 WeakPolarHBondContact CA-O 3.43Å; V531-S534 PolarHBondContact N-O 3.15Å; V531-S534 PolarHBondContact O-N 2.87Å
535	R	89.2	Confident	88.9	Confident	110 Å²	110	58.8 Å²	58.8	42%	0.415	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	133.2	-177.6	62.2	173.8	-65.3	-162	2.2	112.8	E530	E530-R535 HydrophobicContact CB-CB 4.26Å; E530-R535 HydrophobicContact CG-CB 4.34Å
536	H	90.5	Very high	88.9	Confident	64 Å²	64	59 Å²	59	30%	0.296	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	135	170	-71.2	-174.5	0	0	0	109.8	G505 I528 L529 Y538	G505-H536 PolarHBondContact O-ND1 2.94Å; I528-H536 VanDerWaalsContact CA-O 3.31Å; I528-H536 WeakPolarHBondContact CA-O 3.4Å; L529-H536 PolarHBondContact N-O 3.43Å; L529-H536 PolarHBondContact O-N 2.88Å; H536-Y538 HydrophobicContact CB-CD2 4.39Å; H536-Y538 HydrophobicContact CB-CE2 3.54Å; H536-Y538 PolarHBondContact ND1-OH 3.43Å
537	T	90.1	Very high	88.9	Confident	67 Å²	67	60.1 Å²	60.1	41%	0.411	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	135.2	176	-52.5	0	0	0	0	109.1	Q526 I527 I528 F649	Q526-T537 HydrophobicContact CG-CG2 4.23Å; I527-T537 CarbonylContact O-C 3.58Å; I527-T537 WeakPolarHBondContact O-CA 3.46Å; I528-T537 HydrophobicContact CG1-CG2 3.94Å; I528-T537 WeakPolarHBondContact CG1-OG1 3.43Å; T537-F649 HydrophobicContact CG2-CE1 4.33Å
538	Y	88.6	Confident	88.9	Confident	69 Å²	69	59.9 Å²	59.9	27%	0.271	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	132.4	-179.4	-65.8	-84.6	0	0	0	109.3	I503 S504 Q526 I527 H536	I503-Y538 HydrophobicContact CB-CD2 4.49Å; I503-Y538 HydrophobicContact CB-CE2 4.46Å; I503-Y538 HydrophobicContact CD1-CD2 4.04Å; I503-Y538 HydrophobicContact CD1-CG 4.11Å; I503-Y538 HydrophobicContact CG1-CD1 4.5Å; I503-Y538 HydrophobicContact CG1-CD2 4.14Å; I503-Y538 HydrophobicContact CG1-CG 4.11Å; I503-Y538 HydrophobicContact CG2-CD2 3.63Å; I503-Y538 HydrophobicContact CG2-CE2 3.37Å; I503-Y538 HydrophobicContact CG2-CG 4.4Å; S504-Y538 PolarHBondContact O-OH 3.13Å; Q526-Y538 CarbonylContact C-O 3.59Å; Q526-Y538 VanDerWaalsContact CA-O 3.31Å; Q526-Y538 WeakPolarHBondContact CA-O 3.49Å; I527-Y538 PolarHBondContact N-O 3.45Å; I527-Y538 PolarHBondContact O-N 2.77Å; H536-Y538 HydrophobicContact CB-CD2 4.39Å; H536-Y538 HydrophobicContact CB-CE2 3.54Å; H536-Y538 PolarHBondContact ND1-OH 3.43Å
539	E	86.7	Confident	88.9	Confident	155 Å²	155	62 Å²	62	72%	0.724	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.9	123.7	171.8	-174.5	175.3	179.6	0	0	108.6
540	L	81.6	Confident	88.8	Confident	30 Å²	30	65.3 Å²	65.3	16%	0.157	34%	0.342	C	S	.	.			trans	-95.1	150	-179.4	-64.1	-172.2	0	0	0	113.9	Y494 V501 R525 Y544	Y494-L540 HydrophobicContact CE1-CD1 4.47Å; Y494-L540 HydrophobicContact CE2-CD1 4.24Å; Y494-L540 WeakPolarHBondContact OH-CD1 3.39Å; V501-L540 HydrophobicContact CB-CD1 4.17Å; V501-L540 HydrophobicContact CG1-CD1 3.87Å; V501-L540 HydrophobicContact CG1-CD2 3.81Å; V501-L540 HydrophobicContact CG1-CG 4.4Å; V501-L540 HydrophobicContact CG2-CD1 3.41Å; V501-L540 VanDerWaalsContact CG2-CD1 3.41Å; V501-L540 HydrophobicContact CG2-CD2 4.49Å; R525-L540 HydrophobicContact CB-CB 4.13Å; R525-L540 WeakPolarHBondContact CD-O 3.34Å; R525-L540 PolarHBondContact NE-O 2.8Å; R525-L540 PolarHBondContact O-N 3.02Å; L540-Y544 HydrophobicContact CB-CD2 3.96Å; L540-Y544 HydrophobicContact CD1-CD1 4.44Å; L540-Y544 HydrophobicContact CD1-CD2 3.78Å; L540-Y544 HydrophobicContact CD1-CE2 4.35Å; L540-Y544 HydrophobicContact CD1-CG 3.8Å; L540-Y544 HydrophobicContact CG-CD2 4.36Å
541	N	83.1	Confident	88.9	Confident	125 Å²	125	64.8 Å²	64.8	67%	0.668	34%	0.339	S	S	*	.			trans	-60.8	158.7	172.6	-66.7	-8.2	0	0	0	112.2	R525 V543 Y544	R525-N541 VanDerWaalsContact CD-O 3.26Å; R525-N541 WeakPolarHBondContact CD-O 3.2Å; N541-V543 PolarHBondContact O-N 2.83Å; N541-Y544 PolarHBondContact O-N 2.9Å
542	S	79.5	Confident	88.9	Confident	99 Å²	99	66.1 Å²	66.1	69%	0.692	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-7.2	-177.1	59.6	0	0	0	0	115.9	Y544	S542-Y544 VanDerWaalsContact C-N 3.29Å
543	V	85.5	Confident	89.2	Confident	108 Å²	108	64.2 Å²	64.2	66%	0.655	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-29.2	177.9	-178.4	0	0	0	0	111.5	N541	N541-V543 PolarHBondContact O-N 2.83Å
544	Y	85	Confident	89.7	Confident	67 Å²	67	60.1 Å²	60.1	26%	0.263	31%	0.313	S	S	.	.	S	Bend	trans	-84.5	143.9	178.6	-60.9	-80	0	0	0	111.2	G497 V501 R525 L540 N541 S542	G497-Y544 WeakPolarHBondContact O-CA 3.17Å; V501-Y544 HydrophobicContact CG2-CD1 3.46Å; V501-Y544 VanDerWaalsContact CG2-CD1 3.46Å; V501-Y544 HydrophobicContact CG2-CD2 4.43Å; V501-Y544 HydrophobicContact CG2-CE1 3.32Å; V501-Y544 HydrophobicContact CG2-CE2 4.32Å; V501-Y544 HydrophobicContact CG2-CG 4.02Å; R525-Y544 WeakPolarHBondContact CD-O 3.42Å; L540-Y544 HydrophobicContact CB-CD2 3.96Å; L540-Y544 HydrophobicContact CD1-CD1 4.44Å; L540-Y544 HydrophobicContact CD1-CD2 3.78Å; L540-Y544 HydrophobicContact CD1-CE2 4.35Å; L540-Y544 HydrophobicContact CD1-CG 3.8Å; L540-Y544 HydrophobicContact CG-CD2 4.36Å; N541-Y544 PolarHBondContact O-N 2.9Å; S542-Y544 VanDerWaalsContact C-N 3.29Å
545	G	86.5	Confident	90	Very high	26 Å²	26	58.8 Å²	58.8	27%	0.268	30%	0.301	S	S	.	.			trans	-70.1	165.8	176.3	0	0	0	0	0	112.7	M496 G497	M496-G545 WeakPolarHBondContact O-CA 3.23Å; G497-G545 PolarHBondContact O-N 2.95Å
546	K	89.7	Confident	90.4	Very high	72 Å²	72	53.5 Å²	53.5	31%	0.313	28%	0.282	S	S	.	.	S	Bend	trans	-104.8	-22.1	-176.7	-69.4	-177.7	165.7	-147.2	0	113.9	R522 D524 R525	R522-K546 PolarHBondContact NH1-O 2.83Å; D524-K546 HydrophobicContact CB-CB 4.33Å; D524-K546 HydrophobicContact CB-CD 4.17Å; D524-K546 HydrophobicContact CB-CG 4.09Å; D524-K546 IonicContact OD2-NZ 3.53Å; D524-K546 PolarHBondContact OD2-NZ 3.34Å; R525-K546 HydrophobicContact CG-CG 4.09Å
547	Q	90.7	Very high	90.6	Very high	76 Å²	76	50.5 Å²	50.5	36%	0.355	27%	0.268	S	S	.	.			trans	-110.1	131.4	-169	-173.4	168.2	-54	0	0	109.4	T426 R427 N549	T426-Q547 CarbonylContact O-C 3.58Å; T426-Q547 WeakPolarHBondContact O-CA 3.22Å; R427-Q547 HydrophobicContact CG-CB 4.11Å; R427-Q547 HydrophobicContact CG-CG 4.24Å; Q547-N549 WeakPolarHBondContact CG-OD1 3.39Å; Q547-N549 PolarHBondContact NE2-OD1 2.89Å; Q547-N549 PolarHBondContact O-ND2 3.26Å
548	F	93.8	Very high	90.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	99.8	172.6	-173.6	-179.4	0	0	0	108.6	H425 T426 V471 D479 I481 M496 Q551	H425-F548 CarbonylContact C-O 3.54Å; H425-F548 WeakPolarHBondContact CA-O 3.35Å; T426-F548 PolarHBondContact N-O 3.08Å; T426-F548 PolarHBondContact O-N 3.03Å; V471-F548 HydrophobicContact CB-CE1 4.11Å; V471-F548 HydrophobicContact CB-CZ 4.16Å; V471-F548 HydrophobicContact CG1-CE1 3.94Å; V471-F548 HydrophobicContact CG1-CZ 3.96Å; V471-F548 WeakPolarHBondContact O-CZ 3.46Å; D479-F548 VanDerWaalsContact C-CE2 3.43Å; D479-F548 HydrophobicContact CB-CD2 3.4Å; D479-F548 HydrophobicContact CB-CE2 3.68Å; D479-F548 WeakPolarHBondContact O-CE2 3.23Å; I481-F548 HydrophobicContact CB-CE1 4.11Å; I481-F548 HydrophobicContact CD1-CD1 3.75Å; I481-F548 HydrophobicContact CD1-CE1 3.7Å; I481-F548 HydrophobicContact CG1-CD1 3.97Å; I481-F548 HydrophobicContact CG1-CE1 3.61Å; I481-F548 HydrophobicContact CG1-CZ 4.37Å; M496-F548 HydrophobicContact CE-CB 3.78Å; M496-F548 HydrophobicContact CE-CD1 3.68Å; M496-F548 HydrophobicContact CE-CD2 4.36Å; M496-F548 HydrophobicContact CE-CE1 4.35Å; M496-F548 HydrophobicContact CE-CG 3.68Å; M496-F548 WeakPolarHBondContact SD-CA 3.37Å; M496-F548 HydrophobicContact SD-CB 3.31Å; M496-F548 WeakPolarHBondContact SD-CB 3.04Å; M496-F548 HydrophobicContact SD-CD1 4.18Å; M496-F548 HydrophobicContact SD-CD2 3.89Å; M496-F548 HydrophobicContact SD-CG 3.53Å; M496-F548 VanDerWaalsContact SD-CG 3.53Å; F548-Q551 HydrophobicContact CD1-CG 3.74Å; F548-Q551 VanDerWaalsContact CD1-NE2 3.31Å; F548-Q551 HydrophobicContact CD2-CG 3.67Å; F548-Q551 HydrophobicContact CE1-CG 3.63Å; F548-Q551 HydrophobicContact CE2-CG 3.55Å; F548-Q551 HydrophobicContact CG-CG 3.77Å; F548-Q551 VanDerWaalsContact CG-NE2 3.3Å; F548-Q551 HydrophobicContact CZ-CG 3.54Å; F548-Q551 PolarHBondContact O-NE2 3.03Å
549	N	92.4	Very high	90.9	Very high	51 Å²	51	44.9 Å²	44.9	27%	0.273	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	155	-173.7	-57.9	-72.7	0	0	0	113.4	D479 Q547 Q551	D479-N549 WeakPolarHBondContact OD2-CB 3.37Å; D479-N549 PolarHBondContact OD2-N 3.23Å; D479-N549 PolarHBondContact OD2-ND2 3Å; Q547-N549 WeakPolarHBondContact CG-OD1 3.39Å; Q547-N549 PolarHBondContact NE2-OD1 2.89Å; Q547-N549 PolarHBondContact O-ND2 3.26Å; N549-Q551 VanDerWaalsContact C-N 3.27Å; N549-Q551 PolarHBondContact O-N 3.08Å
550	N	94.1	Very high	90.8	Very high	69 Å²	69	40.3 Å²	40.3	37%	0.369	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	58.3	32.2	164.1	-54.6	-4.8	0	0	0	114.3	E423 K424 H425 S473 K552	E423-N550 WeakPolarHBondContact OE2-CB 3.42Å; K424-N550 PolarHBondContact O-N 2.85Å; H425-N550 PolarHBondContact CE1-OD1 3.11Å; H425-N550 PolarHBondContact ND1-N 3.31Å; S473-N550 WeakPolarHBondContact CA-O 3.33Å; S473-N550 WeakPolarHBondContact CB-O 3.22Å; N550-K552 PolarHBondContact O-N 2.8Å
551	Q	94.6	Very high	90.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	123.3	177.9	-68.8	169.3	59	0	0	110.1	E423 K424 T426 V471 F548 N549 Y577	E423-Q551 WeakPolarHBondContact CA-O 3.15Å; K424-Q551 HydrophobicContact CB-CB 4.03Å; K424-Q551 PolarHBondContact N-O 3.31Å; K424-Q551 WeakPolarHBondContact O-CB 3.41Å; K424-Q551 PolarHBondContact O-N 3.35Å; T426-Q551 PolarHBondContact OG1-NE2 2.91Å; V471-Q551 HydrophobicContact CG1-CB 4.45Å; V471-Q551 HydrophobicContact CG1-CG 4.22Å; F548-Q551 HydrophobicContact CD1-CG 3.74Å; F548-Q551 VanDerWaalsContact CD1-NE2 3.31Å; F548-Q551 HydrophobicContact CD2-CG 3.67Å; F548-Q551 HydrophobicContact CE1-CG 3.63Å; F548-Q551 HydrophobicContact CE2-CG 3.55Å; F548-Q551 HydrophobicContact CG-CG 3.77Å; F548-Q551 VanDerWaalsContact CG-NE2 3.3Å; F548-Q551 HydrophobicContact CZ-CG 3.54Å; F548-Q551 PolarHBondContact O-NE2 3.03Å; N549-Q551 VanDerWaalsContact C-N 3.27Å; N549-Q551 PolarHBondContact O-N 3.08Å; Q551-Y577 PolarHBondContact OE1-OH 3.49Å
552	K	95.9	Very high	91	Very high	29 Å²	29	42.2 Å²	42.2	13%	0.126	22%	0.221	C	C	.	.			trans	-137.7	-32	-174.5	-168	54.1	155.4	-173.9	0	113.9	I418 Y419 E423 T472 L474 N550	I418-K552 WeakPolarHBondContact CA-O 3.35Å; Y419-K552 PolarHBondContact N-O 3.01Å; Y419-K552 WeakPolarHBondContact O-CD 3.45Å; Y419-K552 WeakPolarHBondContact O-CE 3.36Å; Y419-K552 PolarHBondContact O-NZ 2.87Å; E423-K552 HydrophobicContact CG-CB 4.41Å; E423-K552 HydrophobicContact CG-CD 4.02Å; E423-K552 HydrophobicContact CG-CG 4.45Å; T472-K552 PolarHBondContact O-N 3.4Å; L474-K552 HydrophobicContact CB-CB 4.26Å; L474-K552 HydrophobicContact CB-CG 3.96Å; L474-K552 HydrophobicContact CD1-CG 4.43Å; N550-K552 PolarHBondContact O-N 2.8Å
553	V	96.9	Very high	90.5	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.018	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	135.8	-174.8	-169.5	0	0	0	0	110.2	R416 L417 I418 V471 T472 L474 W555	R416-V553 HydrophobicContact CG-CG1 3.7Å; L417-V553 WeakPolarHBondContact O-CA 3.32Å; I418-V553 HydrophobicContact CG1-CG1 4.25Å; I418-V553 HydrophobicContact CG1-CG2 4.27Å; V471-V553 WeakPolarHBondContact CA-O 3.44Å; T472-V553 PolarHBondContact N-O 3.23Å; T472-V553 VanDerWaalsContact N-O 3.07Å; T472-V553 PolarHBondContact O-N 3.19Å; L474-V553 HydrophobicContact CD1-CG2 3.78Å; V553-W555 HydrophobicContact CG1-CD2 4.31Å; V553-W555 HydrophobicContact CG1-CG 4.41Å; V553-W555 HydrophobicContact CG1-CZ2 4.19Å; V553-W555 VanDerWaalsContact CG1-NE1 3.35Å
554	I	97.9	Very high	89.9	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125	172.7	-56.8	166.8	0	0	0	107.9	R416 L417 Y419 L469 F470 V471 Y577 L580 L582	R416-I554 CarbonylContact C-O 3.56Å; R416-I554 WeakPolarHBondContact CA-O 3.37Å; L417-I554 HydrophobicContact CB-CB 4.35Å; L417-I554 PolarHBondContact N-O 2.92Å; L417-I554 PolarHBondContact O-N 2.93Å; Y419-I554 HydrophobicContact CE2-CD1 3.93Å; Y419-I554 HydrophobicContact CE2-CG1 4.35Å; L469-I554 HydrophobicContact CD1-CG2 3.52Å; F470-I554 CarbonylContact O-C 3.55Å; F470-I554 WeakPolarHBondContact O-CA 3.43Å; V471-I554 HydrophobicContact CG1-CG1 4.13Å; V471-I554 HydrophobicContact CG2-CG1 4.14Å; V471-I554 HydrophobicContact CG2-CG2 4.2Å; I554-Y577 HydrophobicContact CD1-CD1 3.65Å; I554-Y577 HydrophobicContact CD1-CE1 4.2Å; I554-Y577 HydrophobicContact CD1-CG 4.28Å; I554-Y577 HydrophobicContact CG1-CD1 4.47Å; I554-L580 HydrophobicContact CD1-CD1 4.39Å; I554-L582 HydrophobicContact CD1-CD2 4.05Å; I554-L582 HydrophobicContact CG2-CD1 3.73Å
555	W	97.3	Very high	89.8	Confident	13 Å²	13	46.2 Å²	46.2	5%	0.049	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	139.3	176.3	-62.1	95.2	0	0	0	110.4	Y414 L415 R416 L469 F470 V553 A559 P560 F600	Y414-W555 AromaticContact CD2-CE3 3.95Å; Y414-W555 HydrophobicContact CD2-CE3 3.95Å; Y414-W555 AromaticContact CD2-CZ3 3.84Å; Y414-W555 HydrophobicContact CD2-CZ3 3.84Å; Y414-W555 HydrophobicContact CE2-CE3 4.19Å; Y414-W555 AromaticContact CE2-CZ3 3.61Å; Y414-W555 HydrophobicContact CE2-CZ3 3.61Å; L415-W555 WeakPolarHBondContact O-CA 3.46Å; R416-W555 HydrophobicContact CB-CD2 4.36Å; R416-W555 HydrophobicContact CB-CE3 3.65Å; R416-W555 HydrophobicContact CB-CH2 4.18Å; R416-W555 HydrophobicContact CB-CZ3 3.52Å; R416-W555 HydrophobicContact CG-CD2 4.11Å; R416-W555 HydrophobicContact CG-CE3 3.85Å; R416-W555 HydrophobicContact CG-CH2 3.89Å; R416-W555 HydrophobicContact CG-CZ2 4.08Å; R416-W555 HydrophobicContact CG-CZ3 3.71Å; L469-W555 WeakPolarHBondContact CA-O 3.19Å; F470-W555 HydrophobicContact CB-CB 4.2Å; F470-W555 AromaticContact CD1-CD1 3.63Å; F470-W555 HydrophobicContact CD1-CG 4.4Å; F470-W555 PolarHBondContact N-O 2.84Å; F470-W555 PolarHBondContact O-N 2.73Å; V553-W555 HydrophobicContact CG1-CD2 4.31Å; V553-W555 HydrophobicContact CG1-CG 4.41Å; V553-W555 HydrophobicContact CG1-CZ2 4.19Å; V553-W555 VanDerWaalsContact CG1-NE1 3.35Å; W555-A559 HydrophobicContact CB-CB 4.14Å; W555-A559 HydrophobicContact CG-CB 4.05Å; W555-P560 HydrophobicContact CH2-CG 4.18Å; W555-P560 HydrophobicContact CZ3-CG 4.25Å; W555-F600 HydrophobicContact CZ3-CE2 4.03Å
556	L	97.6	Very high	89.5	Confident	0 Å²	0	48 Å²	48	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	131.8	173.9	-57.8	173.8	0	0	0	110.3	Y414 L415 L417 L468 L469 H558 M572 V575 L582	Y414-L556 WeakPolarHBondContact CA-O 3.47Å; Y414-L556 VanDerWaalsContact CB-O 3.26Å; Y414-L556 WeakPolarHBondContact CB-O 3.21Å; L415-L556 HydrophobicContact CB-CB 4.21Å; L415-L556 HydrophobicContact CD1-CD1 4.33Å; L415-L556 PolarHBondContact N-O 3.04Å; L415-L556 PolarHBondContact O-N 3.32Å; L417-L556 HydrophobicContact CD1-CD1 4.15Å; L417-L556 HydrophobicContact CD1-CG 4.46Å; L468-L556 WeakPolarHBondContact O-CA 3.45Å; L469-L556 HydrophobicContact CB-CD2 4.34Å; L469-L556 HydrophobicContact CD1-CD2 3.53Å; L556-H558 VanDerWaalsContact C-N 3.25Å; L556-H558 PolarHBondContact O-N 3.33Å; L556-M572 HydrophobicContact CB-SD 4.39Å; L556-V575 HydrophobicContact CD1-CG1 3.99Å; L556-V575 HydrophobicContact CD2-CG1 3.83Å; L556-L582 HydrophobicContact CD1-CB 4.11Å; L556-L582 HydrophobicContact CD1-CD1 4.16Å; L556-L582 HydrophobicContact CD2-CD1 4.19Å; L556-L582 HydrophobicContact CG-CD1 4.49Å
557	G	94.9	Very high	89.5	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	82.9	-27.1	175.9	0	0	0	0	0	115.8	T467 L468 F568	T467-G557 CarbonylContact O-C 3.54Å; T467-G557 WeakPolarHBondContact O-CA 3.44Å; T467-G557 VanDerWaalsContact O-O 3.1Å; L468-G557 PolarHBondContact O-N 3Å; L468-G557 VanDerWaalsContact O-N 3.13Å; G557-F568 WeakPolarHBondContact O-CB 3.36Å; G557-F568 PolarHBondContact O-N 2.88Å
558	H	93.8	Very high	89.6	Confident	18 Å²	18	42.6 Å²	42.6	8%	0.083	21%	0.207	C	C	.	.			trans	-167.4	155.2	170.7	-176.2	75.1	0	0	0	110.9	Y414 L556 T565 D566 F567	Y414-H558 HydrophobicContact CD1-CB 4.02Å; Y414-H558 HydrophobicContact CG-CB 3.91Å; L556-H558 VanDerWaalsContact C-N 3.25Å; L556-H558 PolarHBondContact O-N 3.33Å; H558-T565 PolarHBondContact CE1-O 2.95Å; H558-D566 PolarHBondContact ND1-O 3.31Å; H558-F567 HydrophobicContact CB-CD1 3.38Å; H558-F567 HydrophobicContact CB-CE1 3.69Å; H558-F567 HydrophobicContact CB-CG 4.31Å; H558-F567 AromaticContact CD2-CD1 3.86Å; H558-F567 AromaticContact CD2-CE1 3.22Å; H558-F567 WeakPolarHBondContact CD2-CE1 3.08Å; H558-F567 AromaticContact CD2-CZ 3.8Å; H558-F567 AromaticContact CE1-CE1 3.97Å; H558-F567 AromaticContact CE1-CZ 3.98Å; H558-F567 AromaticContact CG-CD1 3.42Å; H558-F567 VanDerWaalsContact CG-CD1 3.42Å; H558-F567 AromaticContact CG-CE1 3.29Å; H558-F567 AromaticContact ND1-CD1 3.83Å; H558-F567 AromaticContact ND1-CE1 3.79Å; H558-F567 AromaticContact NE2-CE1 3.69Å; H558-F567 AromaticContact NE2-CZ 3.77Å
559	A	90.9	Very high	89.4	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.215	C	C	.	.			trans	-131.1	109.1	172.9	0	0	0	0	0	110.2	F470 W555 R561 L562	F470-A559 HydrophobicContact CB-CB 4.18Å; F470-A559 HydrophobicContact CD1-CB 3.53Å; F470-A559 HydrophobicContact CE1-CB 4.28Å; F470-A559 HydrophobicContact CG-CB 4.17Å; W555-A559 HydrophobicContact CB-CB 4.14Å; W555-A559 HydrophobicContact CG-CB 4.05Å; A559-R561 PolarHBondContact O-N 2.98Å; A559-L562 HydrophobicContact CB-CB 4.38Å; A559-L562 HydrophobicContact CB-CD1 3.81Å; A559-L562 HydrophobicContact CB-CG 3.92Å; A559-L562 PolarHBondContact O-N 3.37Å
560	P	85.5	Confident	89.4	Confident	60 Å²	60	42.1 Å²	42.1	39%	0.39	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.2	-168.4	-29	35.2	0	0	0	117	Y414 W555	Y414-P560 HydrophobicContact CE2-CG 3.74Å; W555-P560 HydrophobicContact CH2-CG 4.18Å; W555-P560 HydrophobicContact CZ3-CG 4.25Å
561	R	84.5	Confident	89.5	Confident	153 Å²	153	40.1 Å²	40.1	58%	0.577	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-7.3	178.6	-54.9	-170	172.3	160.4	-1.6	113.5	T475 A559 N563	T475-R561 PolarHBondContact O-NH1 3.31Å; A559-R561 PolarHBondContact O-N 2.98Å; R561-N563 PolarHBondContact O-N 2.8Å
562	L	84.2	Confident	89.6	Confident	41 Å²	41	40.1 Å²	40.1	22%	0.215	19%	0.19	C	C	.	.	S	Bend	trans	-80	98.8	173.4	-67.7	-176.6	0	0	0	108.8	F470 A559 K564 T565	F470-L562 HydrophobicContact CB-CD1 4.36Å; F470-L562 HydrophobicContact CD1-CD1 3.92Å; F470-L562 HydrophobicContact CD1-CG 4.25Å; F470-L562 HydrophobicContact CD2-CD1 3.88Å; F470-L562 HydrophobicContact CE1-CD1 4.1Å; F470-L562 HydrophobicContact CE1-CD2 4.1Å; F470-L562 HydrophobicContact CE1-CG 4.01Å; F470-L562 HydrophobicContact CE2-CD1 4.06Å; F470-L562 HydrophobicContact CE2-CD2 4.1Å; F470-L562 HydrophobicContact CE2-CG 4.49Å; F470-L562 HydrophobicContact CG-CD1 3.81Å; F470-L562 HydrophobicContact CZ-CD1 4.18Å; F470-L562 HydrophobicContact CZ-CD2 3.76Å; F470-L562 HydrophobicContact CZ-CG 4.15Å; A559-L562 HydrophobicContact CB-CB 4.38Å; A559-L562 HydrophobicContact CB-CD1 3.81Å; A559-L562 HydrophobicContact CB-CG 3.92Å; A559-L562 PolarHBondContact O-N 3.37Å; L562-K564 PolarHBondContact O-N 2.93Å; L562-T565 HydrophobicContact CB-CG2 3.74Å; L562-T565 HydrophobicContact CD1-CG2 4.22Å; L562-T565 PolarHBondContact O-N 3.47Å; L562-T565 PolarHBondContact O-OG1 3.48Å
563	N	68.4	Low	89.7	Confident	148 Å²	148	38.7 Å²	38.7	79%	0.791	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	135.1	170.8	-71.8	-14.2	0	0	0	109.2	R561	R561-N563 PolarHBondContact O-N 2.8Å
564	K	73.9	Confident	89.7	Confident	191 Å²	191	39 Å²	39	83%	0.83	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.6	11.2	178.7	-46.9	176.8	176.8	-176.7	0	117.3	L562	L562-K564 PolarHBondContact O-N 2.93Å
565	T	81.7	Confident	89.7	Confident	19 Å²	19	39 Å²	39	12%	0.117	19%	0.187	C	C	.	.			trans	-102.6	135.1	170.4	75.1	0	0	0	0	110.7	I465 T467 H558 L562	I465-T565 HydrophobicContact CG2-CG2 3.88Å; I465-T565 CarbonylContact O-C 3.6Å; I465-T565 WeakPolarHBondContact O-CA 3.38Å; T467-T565 VanDerWaalsContact OG1-CB 3.28Å; T467-T565 WeakPolarHBondContact OG1-CB 3.46Å; T467-T565 WeakPolarHBondContact OG1-CG2 3.41Å; T467-T565 PolarHBondContact OG1-OG1 2.58Å; H558-T565 PolarHBondContact CE1-O 2.95Å; L562-T565 HydrophobicContact CB-CG2 3.74Å; L562-T565 HydrophobicContact CD1-CG2 4.22Å; L562-T565 PolarHBondContact O-N 3.47Å; L562-T565 PolarHBondContact O-OG1 3.48Å
566	D	81.4	Confident	89.6	Confident	63 Å²	63	38.9 Å²	38.9	34%	0.337	19%	0.187	S	C	.	.	B	Isolated β-bridge	trans	-90.4	175.3	171.3	-146.6	-36.5	0	0	0	110.8	Y464 I465 H558	Y464-D566 HydrophobicContact CD2-CB 4.26Å; Y464-D566 HydrophobicContact CE1-CB 3.98Å; Y464-D566 HydrophobicContact CE2-CB 3.53Å; Y464-D566 WeakPolarHBondContact CE2-OD2 3.28Å; Y464-D566 VanDerWaalsContact CZ-CG 3.44Å; Y464-D566 VanDerWaalsContact OH-CB 3.3Å; Y464-D566 WeakPolarHBondContact OH-CB 3.3Å; Y464-D566 PolarHBondContact OH-OD1 2.98Å; Y464-D566 PolarHBondContact OH-OD2 3.44Å; I465-D566 PolarHBondContact O-N 2.83Å; H558-D566 PolarHBondContact ND1-O 3.31Å
567	F	88.9	Confident	89.5	Confident	34 Å²	34	38.9 Å²	38.9	15%	0.149	19%	0.187	C	C	.	.			trans	-77.4	144.6	175.7	-57.7	-84.3	0	0	0	110.9	I412 Y414 Y464 S466 H558 H569	I412-F567 HydrophobicContact CB-CD1 4.43Å; I412-F567 HydrophobicContact CB-CE1 4.29Å; I412-F567 HydrophobicContact CB-CE2 4.39Å; I412-F567 HydrophobicContact CB-CZ 4.26Å; I412-F567 HydrophobicContact CD1-CE2 3.81Å; I412-F567 HydrophobicContact CD1-CZ 3.97Å; I412-F567 HydrophobicContact CG1-CD2 3.91Å; I412-F567 HydrophobicContact CG1-CE1 4.42Å; I412-F567 HydrophobicContact CG1-CE2 3.65Å; I412-F567 HydrophobicContact CG1-CG 4.39Å; I412-F567 HydrophobicContact CG1-CZ 3.94Å; I412-F567 HydrophobicContact CG2-CD1 3.69Å; I412-F567 HydrophobicContact CG2-CD2 4.45Å; I412-F567 HydrophobicContact CG2-CE1 3.25Å; I412-F567 HydrophobicContact CG2-CE2 4.06Å; I412-F567 HydrophobicContact CG2-CG 4.29Å; I412-F567 HydrophobicContact CG2-CZ 3.46Å; I412-F567 VanDerWaalsContact CG2-CZ 3.46Å; Y414-F567 AromaticContact CD1-CD1 3.99Å; Y414-F567 HydrophobicContact CD1-CD1 3.99Å; Y414-F567 AromaticContact CD1-CE1 3.66Å; Y414-F567 HydrophobicContact CD1-CE1 3.66Å; Y414-F567 AromaticContact CE1-CE1 3.79Å; Y414-F567 HydrophobicContact CE1-CE1 3.79Å; Y464-F567 PolarHBondContact OH-O 3.41Å; S466-F567 PolarHBondContact OG-O 2.98Å; H558-F567 HydrophobicContact CB-CD1 3.38Å; H558-F567 HydrophobicContact CB-CE1 3.69Å; H558-F567 HydrophobicContact CB-CG 4.31Å; H558-F567 AromaticContact CD2-CD1 3.86Å; H558-F567 AromaticContact CD2-CE1 3.22Å; H558-F567 WeakPolarHBondContact CD2-CE1 3.08Å; H558-F567 AromaticContact CD2-CZ 3.8Å; H558-F567 AromaticContact CE1-CE1 3.97Å; H558-F567 AromaticContact CE1-CZ 3.98Å; H558-F567 AromaticContact CG-CD1 3.42Å; H558-F567 VanDerWaalsContact CG-CD1 3.42Å; H558-F567 AromaticContact CG-CE1 3.29Å; H558-F567 AromaticContact ND1-CD1 3.83Å; H558-F567 AromaticContact ND1-CE1 3.79Å; H558-F567 AromaticContact NE2-CE1 3.69Å; H558-F567 AromaticContact NE2-CZ 3.77Å; F567-H569 PolarHBondContact O-ND1 2.93Å
568	F	92.3	Very high	89.4	Confident	2 Å²	2	39.6 Å²	39.6	1%	0.009	19%	0.191	C	C	.	.			trans	-74.7	132.9	168.1	178.6	-102	0	0	0	110.7	Y382 I435 T437 S466 L468 L485 G557 G570 M572	Y382-F568 VanDerWaalsContact CB-O 3.26Å; Y382-F568 WeakPolarHBondContact CB-O 3.38Å; Y382-F568 HydrophobicContact CD2-CD1 4.05Å; Y382-F568 HydrophobicContact CD2-CE1 4.27Å; Y382-F568 AromaticContact CG-CD1 3.99Å; Y382-F568 HydrophobicContact CG-CD1 3.99Å; I435-F568 HydrophobicContact CB-CZ 4.21Å; I435-F568 HydrophobicContact CD1-CE2 4.47Å; I435-F568 HydrophobicContact CG2-CZ 4.48Å; T437-F568 HydrophobicContact CG2-CE2 4.03Å; S466-F568 WeakPolarHBondContact OG-CA 3.44Å; S466-F568 PolarHBondContact OG-N 3.46Å; L468-F568 HydrophobicContact CD2-CD2 3.32Å; L468-F568 HydrophobicContact CD2-CE2 3.57Å; L468-F568 HydrophobicContact CD2-CG 4.06Å; L468-F568 HydrophobicContact CD2-CZ 4.47Å; L485-F568 HydrophobicContact CD1-CE2 4.45Å; G557-F568 WeakPolarHBondContact O-CB 3.36Å; G557-F568 PolarHBondContact O-N 2.88Å; F568-G570 VanDerWaalsContact CE1-C 3.49Å; F568-M572 HydrophobicContact CB-CE 3.86Å; F568-M572 HydrophobicContact CD1-CE 3.32Å; F568-M572 HydrophobicContact CD1-CG 3.98Å; F568-M572 HydrophobicContact CD1-SD 4.45Å; F568-M572 HydrophobicContact CD2-CE 4.1Å; F568-M572 HydrophobicContact CE1-CE 3.8Å; F568-M572 HydrophobicContact CE1-CG 3.56Å; F568-M572 HydrophobicContact CE2-CE 4.5Å; F568-M572 HydrophobicContact CG-CE 3.48Å; F568-M572 VanDerWaalsContact CG-CE 3.48Å; F568-M572 HydrophobicContact CZ-CE 4.36Å; F568-M572 HydrophobicContact CZ-CG 4.2Å
569	H	90.3	Very high	89.3	Confident	40 Å²	40	38.9 Å²	38.9	19%	0.185	19%	0.189	C	C	.	.			trans	-121.4	107.9	177	-63.5	87.4	0	0	0	108.5	Y382 F438 F567	Y382-H569 WeakPolarHBondContact O-CA 3.35Å; F438-H569 HydrophobicContact CD2-CB 3.84Å; F438-H569 HydrophobicContact CE2-CB 4.1Å; F438-H569 PolarHBondContact N-O 2.91Å; F567-H569 PolarHBondContact O-ND1 2.93Å
570	G	93.1	Very high	89.4	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.6	-163.9	-174.8	0	0	0	0	0	112.9	Y382 Q436 F568	Y382-G570 PolarHBondContact N-O 3.36Å; Y382-G570 PolarHBondContact O-N 2.89Å; Q436-G570 CarbonylContact O-C 3.41Å; Q436-G570 VanDerWaalsContact O-CA 3.23Å; Q436-G570 WeakPolarHBondContact O-CA 3.2Å; F568-G570 VanDerWaalsContact CE1-C 3.49Å
571	Y	95.7	Very high	89.8	Confident	27 Å²	27	38.2 Å²	38.2	11%	0.106	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	136.8	171.6	-56.4	-85.3	0	0	0	109.8	T379 F380 V381 I435 Q436 F438 F609	T379-Y571 HydrophobicContact CG2-CD1 4.05Å; T379-Y571 HydrophobicContact CG2-CG 4.47Å; F380-Y571 CarbonylContact O-C 3.12Å; F380-Y571 WeakPolarHBondContact O-CA 3.39Å; V381-Y571 HydrophobicContact CB-CD1 3.84Å; V381-Y571 HydrophobicContact CB-CE1 3.76Å; V381-Y571 HydrophobicContact CG2-CD1 3.93Å; V381-Y571 HydrophobicContact CG2-CE1 3.59Å; I435-Y571 VanDerWaalsContact CA-O 3.29Å; I435-Y571 WeakPolarHBondContact CA-O 3.25Å; Q436-Y571 HydrophobicContact CB-CD2 4.27Å; Q436-Y571 HydrophobicContact CG-CD2 4.46Å; Q436-Y571 PolarHBondContact N-O 3.36Å; Q436-Y571 PolarHBondContact O-N 2.89Å; F438-Y571 HydrophobicContact CD1-CE2 4.16Å; F438-Y571 AromaticContact CE1-CD2 3.97Å; F438-Y571 HydrophobicContact CE1-CD2 3.97Å; F438-Y571 AromaticContact CE1-CE2 3.52Å; F438-Y571 HydrophobicContact CE1-CE2 3.52Å; F438-Y571 AromaticContact CE1-CZ 3.91Å; Y571-F609 AromaticContact CD1-CD2 3.79Å; Y571-F609 HydrophobicContact CD1-CD2 3.79Å; Y571-F609 AromaticContact CD1-CE2 3.73Å; Y571-F609 HydrophobicContact CD1-CE2 3.73Å; Y571-F609 HydrophobicContact CD2-CD2 4.43Å; Y571-F609 AromaticContact CD2-CE2 3.59Å; Y571-F609 HydrophobicContact CD2-CE2 3.59Å; Y571-F609 HydrophobicContact CD2-CZ 4.21Å; Y571-F609 HydrophobicContact CE1-CD2 4.07Å; Y571-F609 HydrophobicContact CE1-CE2 4.16Å; Y571-F609 HydrophobicContact CE2-CE2 4.01Å; Y571-F609 AromaticContact CG-CD2 3.99Å; Y571-F609 HydrophobicContact CG-CD2 3.99Å; Y571-F609 AromaticContact CG-CE2 3.42Å; Y571-F609 HydrophobicContact CG-CE2 3.42Å; Y571-F609 VanDerWaalsContact CG-CE2 3.42Å; Y571-F609 AromaticContact CG-CZ 3.99Å; Y571-F609 HydrophobicContact CG-CZ 3.99Å
572	M	97.5	Very high	90.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	130.6	161.9	-57.9	-171.6	-178.1	0	0	109.6	T379 F380 Y382 L433 G434 I435 L468 L556 F568 V575 N583	T379-M572 WeakPolarHBondContact CA-O 3.45Å; F380-M572 PolarHBondContact N-O 2.88Å; F380-M572 PolarHBondContact O-N 3.3Å; Y382-M572 HydrophobicContact CD2-CB 4.47Å; Y382-M572 HydrophobicContact CD2-CG 4.09Å; Y382-M572 HydrophobicContact CE2-CB 3.74Å; Y382-M572 HydrophobicContact CE2-CG 3.64Å; Y382-M572 HydrophobicContact CE2-SD 3.99Å; L433-M572 HydrophobicContact CD2-SD 4.49Å; G434-M572 CarbonylContact O-C 3.6Å; G434-M572 VanDerWaalsContact O-CA 3.31Å; G434-M572 WeakPolarHBondContact O-CA 3.47Å; I435-M572 HydrophobicContact CG2-CG 4.36Å; L468-M572 HydrophobicContact CB-CE 4.39Å; L468-M572 HydrophobicContact CD2-CE 3.87Å; L556-M572 HydrophobicContact CB-SD 4.39Å; F568-M572 HydrophobicContact CB-CE 3.86Å; F568-M572 HydrophobicContact CD1-CE 3.32Å; F568-M572 HydrophobicContact CD1-CG 3.98Å; F568-M572 HydrophobicContact CD1-SD 4.45Å; F568-M572 HydrophobicContact CD2-CE 4.1Å; F568-M572 HydrophobicContact CE1-CE 3.8Å; F568-M572 HydrophobicContact CE1-CG 3.56Å; F568-M572 HydrophobicContact CE2-CE 4.5Å; F568-M572 HydrophobicContact CG-CE 3.48Å; F568-M572 VanDerWaalsContact CG-CE 3.48Å; F568-M572 HydrophobicContact CZ-CE 4.36Å; F568-M572 HydrophobicContact CZ-CG 4.2Å; M572-V575 HydrophobicContact CB-CG2 3.88Å; M572-N583 PolarHBondContact O-ND2 3.24Å
573	T	97.5	Very high	91	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	135.9	-169.8	-62.5	0	0	0	0	110.4	T367 A376 T379 G434 Y515 V575 F609	T367-T573 WeakPolarHBondContact O-CG2 2.79Å; A376-T573 HydrophobicContact CB-CG2 4.1Å; T379-T573 VanDerWaalsContact CG2-OG1 3.3Å; T379-T573 WeakPolarHBondContact CG2-OG1 3.34Å; T379-T573 WeakPolarHBondContact OG1-CB 3.41Å; T379-T573 VanDerWaalsContact OG1-CG2 3.28Å; T379-T573 WeakPolarHBondContact OG1-CG2 3.38Å; T379-T573 PolarHBondContact OG1-OG1 3.38Å; G434-T573 WeakPolarHBondContact CA-O 3.44Å; G434-T573 PolarHBondContact N-O 2.89Å; G434-T573 PolarHBondContact O-N 3.39Å; Y515-T573 HydrophobicContact CE2-CG2 4.22Å; T573-V575 PolarHBondContact O-N 2.9Å; T573-F609 WeakPolarHBondContact OG1-CE1 3.22Å
574	G	96.1	Very high	92.3	Very high	9 Å²	9	23.6 Å²	23.6	9%	0.093	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	58.1	35.4	171.4	0	0	0	0	0	113.9	T378 Y576	T378-G574 PolarHBondContact O-N 3.48Å; G574-Y576 PolarHBondContact O-N 3.41Å
575	V	97.9	Very high	93.4	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.006	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	122.4	-176.6	-179.7	0	0	0	0	110.2	I432 L433 L556 M572 T573 L581 L582 N583	I432-V575 CarbonylContact O-C 3.58Å; I432-V575 WeakPolarHBondContact O-CA 3.24Å; L433-V575 HydrophobicContact CD2-CG1 4.12Å; L433-V575 HydrophobicContact CD2-CG2 4.27Å; L433-V575 HydrophobicContact CG-CG1 4.1Å; L433-V575 HydrophobicContact CG-CG2 4.35Å; L556-V575 HydrophobicContact CD1-CG1 3.99Å; L556-V575 HydrophobicContact CD2-CG1 3.83Å; M572-V575 HydrophobicContact CB-CG2 3.88Å; T573-V575 PolarHBondContact O-N 2.9Å; V575-L581 CarbonylContact O-C 3.26Å; V575-L582 HydrophobicContact CB-CB 4.41Å; V575-L582 HydrophobicContact CG1-CB 4.09Å; V575-L582 HydrophobicContact CG1-CD1 3.86Å; V575-L582 HydrophobicContact CG1-CG 4.31Å; V575-L582 PolarHBondContact O-N 3.24Å; V575-N583 WeakPolarHBondContact CB-OD1 3.14Å; V575-N583 WeakPolarHBondContact CG2-OD1 3.18Å
576	Y	96.2	Very high	94.1	Very high	11 Å²	11	14.5 Å²	14.5	4%	0.043	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	140.3	-178.9	176.1	-83.6	0	0	0	111.1	R252 L365 E430 F431 I432 G574 G579 L580 L581	R252-Y576 PolarHBondContact NE-OH 2.94Å; L365-Y576 HydrophobicContact CD2-CD1 3.98Å; L365-Y576 HydrophobicContact CD2-CD2 4.18Å; L365-Y576 HydrophobicContact CD2-CE1 3.65Å; L365-Y576 HydrophobicContact CD2-CE2 3.83Å; L365-Y576 HydrophobicContact CD2-CG 4.23Å; E430-Y576 HydrophobicContact CB-CE1 4.36Å; E430-Y576 HydrophobicContact CG-CD1 4.48Å; E430-Y576 HydrophobicContact CG-CE1 4.05Å; F431-Y576 VanDerWaalsContact CA-O 3.29Å; F431-Y576 WeakPolarHBondContact CA-O 3.46Å; I432-Y576 PolarHBondContact N-O 3.43Å; I432-Y576 PolarHBondContact O-N 2.84Å; G574-Y576 PolarHBondContact O-N 3.41Å; Y576-G579 VanDerWaalsContact CE2-CA 3.49Å; Y576-G579 VanDerWaalsContact CZ-CA 3.43Å; Y576-G579 WeakPolarHBondContact OH-CA 3.37Å; Y576-G579 PolarHBondContact OH-N 2.83Å; Y576-L580 CarbonylContact C-O 3.52Å; Y576-L580 VanDerWaalsContact CA-O 3.3Å; Y576-L580 WeakPolarHBondContact CA-O 3.37Å; Y576-L581 HydrophobicContact CD2-CD2 3.96Å; Y576-L581 HydrophobicContact CD2-CG 4.49Å
577	Y	95.8	Very high	94.8	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	118.6	170	-175.9	-98	0	0	0	110.9	D429 E430 F431 L469 V471 Q551 I554 G579 L580	D429-Y577 PolarHBondContact OD1-OH 3.16Å; E430-Y577 WeakPolarHBondContact O-CA 3.21Å; F431-Y577 HydrophobicContact CB-CD2 3.91Å; L469-Y577 HydrophobicContact CD2-CD2 4.17Å; V471-Y577 HydrophobicContact CG1-CE1 4.16Å; V471-Y577 HydrophobicContact CG2-CD2 4.13Å; V471-Y577 HydrophobicContact CG2-CE1 4.34Å; V471-Y577 HydrophobicContact CG2-CE2 3.69Å; Q551-Y577 PolarHBondContact OE1-OH 3.49Å; I554-Y577 HydrophobicContact CD1-CD1 3.65Å; I554-Y577 HydrophobicContact CD1-CE1 4.2Å; I554-Y577 HydrophobicContact CD1-CG 4.28Å; I554-Y577 HydrophobicContact CG1-CD1 4.47Å; Y577-G579 VanDerWaalsContact C-N 3.29Å; Y577-G579 PolarHBondContact O-N 3.31Å; Y577-G579 VanDerWaalsContact O-N 3.12Å; Y577-L580 PolarHBondContact N-O 3.04Å; Y577-L580 VanDerWaalsContact O-CB 3.32Å; Y577-L580 WeakPolarHBondContact O-CB 3.33Å; Y577-L580 PolarHBondContact O-N 2.87Å
578	N	92.8	Very high	95.1	Very high	15 Å²	15	13.7 Å²	13.7	8%	0.08	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.5	49	173.9	-72.2	-11.6	0	0	0	114.5	R252 D429 E430 L580	R252-N578 HydrophobicContact CG-CB 4.29Å; R252-N578 WeakPolarHBondContact CG-O 3.34Å; D429-N578 VanDerWaalsContact CA-OD1 3.26Å; D429-N578 WeakPolarHBondContact CA-OD1 3.35Å; D429-N578 PolarHBondContact OD1-ND2 3.05Å; E430-N578 PolarHBondContact N-OD1 2.97Å; E430-N578 PolarHBondContact O-N 3.31Å; E430-N578 PolarHBondContact O-OD1 3.44Å; N578-L580 VanDerWaalsContact C-N 3.35Å
579	G	90.2	Very high	95.2	Very high	3 Å²	3	18.7 Å²	18.7	3%	0.031	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.1	-11.8	178.7	0	0	0	0	0	114.9	L249 Y576 Y577	L249-G579 WeakPolarHBondContact CD2-O 3.18Å; Y576-G579 VanDerWaalsContact CE2-CA 3.49Å; Y576-G579 VanDerWaalsContact CZ-CA 3.43Å; Y576-G579 WeakPolarHBondContact OH-CA 3.37Å; Y576-G579 PolarHBondContact OH-N 2.83Å; Y577-G579 VanDerWaalsContact C-N 3.29Å; Y577-G579 PolarHBondContact O-N 3.31Å; Y577-G579 VanDerWaalsContact O-N 3.12Å
580	L	93.4	Very high	95.1	Very high	6 Å²	6	18.3 Å²	18.3	3%	0.031	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	119.8	177.8	-57.7	177.2	0	0	0	110.9	L249 Y419 I554 Y576 Y577 N578 L582 I585 L592 I595	L249-L580 HydrophobicContact CD1-CD2 3.92Å; L249-L580 HydrophobicContact CD2-CD2 3.65Å; L249-L580 HydrophobicContact CD2-CG 4.24Å; L249-L580 HydrophobicContact CG-CD2 4.42Å; Y419-L580 HydrophobicContact CE1-CD1 3.7Å; Y419-L580 VanDerWaalsContact OH-CD1 3.23Å; Y419-L580 WeakPolarHBondContact OH-CD1 3.49Å; I554-L580 HydrophobicContact CD1-CD1 4.39Å; Y576-L580 CarbonylContact C-O 3.52Å; Y576-L580 VanDerWaalsContact CA-O 3.3Å; Y576-L580 WeakPolarHBondContact CA-O 3.37Å; Y577-L580 PolarHBondContact N-O 3.04Å; Y577-L580 VanDerWaalsContact O-CB 3.32Å; Y577-L580 WeakPolarHBondContact O-CB 3.33Å; Y577-L580 PolarHBondContact O-N 2.87Å; N578-L580 VanDerWaalsContact C-N 3.35Å; L580-L582 VanDerWaalsContact C-N 3.33Å; L580-L582 HydrophobicContact CB-CD2 3.6Å; L580-L582 HydrophobicContact CB-CG 4.47Å; L580-L582 HydrophobicContact CD1-CD2 4.01Å; L580-L582 PolarHBondContact O-N 2.88Å; L580-L582 VanDerWaalsContact O-N 3.09Å; L580-I585 HydrophobicContact CB-CD1 3.94Å; L580-I585 HydrophobicContact CD2-CD1 4Å; L580-I585 HydrophobicContact CG-CD1 4.47Å; L580-L592 HydrophobicContact CD2-CD1 3.54Å; L580-I595 HydrophobicContact CD1-CD1 4.09Å
581	L	94.4	Very high	95	Very high	39 Å²	39	27.2 Å²	27.2	20%	0.204	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	84.5	165.1	-66.7	167	0	0	0	108.2	E364 V575 Y576 N583 D584 I585	E364-L581 HydrophobicContact CB-CD2 4.36Å; E364-L581 HydrophobicContact CG-CD1 4.33Å; V575-L581 CarbonylContact O-C 3.26Å; Y576-L581 HydrophobicContact CD2-CD2 3.96Å; Y576-L581 HydrophobicContact CD2-CG 4.49Å; L581-N583 VanDerWaalsContact C-N 3.26Å; L581-N583 PolarHBondContact O-N 2.94Å; L581-D584 HydrophobicContact CB-CB 3.9Å; L581-D584 WeakPolarHBondContact CD1-OD2 3.43Å; L581-D584 PolarHBondContact O-N 2.89Å; L581-D584 VanDerWaalsContact O-N 3.08Å; L581-I585 WeakPolarHBondContact O-CG1 3.39Å; L581-I585 PolarHBondContact O-N 3.22Å
582	L	97.1	Very high	94.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-58.7	-38.4	-169.7	-57.8	-176.8	0	0	0	112	L417 L469 I554 L556 V575 L580 A586	L417-L582 HydrophobicContact CD1-CB 4.44Å; L417-L582 HydrophobicContact CD2-CB 4.22Å; L417-L582 HydrophobicContact CD2-CD2 3.87Å; L469-L582 HydrophobicContact CD1-CD1 4.47Å; I554-L582 HydrophobicContact CD1-CD2 4.05Å; I554-L582 HydrophobicContact CG2-CD1 3.73Å; L556-L582 HydrophobicContact CD1-CB 4.11Å; L556-L582 HydrophobicContact CD1-CD1 4.16Å; L556-L582 HydrophobicContact CD2-CD1 4.19Å; L556-L582 HydrophobicContact CG-CD1 4.49Å; V575-L582 HydrophobicContact CB-CB 4.41Å; V575-L582 HydrophobicContact CG1-CB 4.09Å; V575-L582 HydrophobicContact CG1-CD1 3.86Å; V575-L582 HydrophobicContact CG1-CG 4.31Å; V575-L582 PolarHBondContact O-N 3.24Å; L580-L582 VanDerWaalsContact C-N 3.33Å; L580-L582 HydrophobicContact CB-CD2 3.6Å; L580-L582 HydrophobicContact CB-CG 4.47Å; L580-L582 HydrophobicContact CD1-CD2 4.01Å; L580-L582 PolarHBondContact O-N 2.88Å; L580-L582 VanDerWaalsContact O-N 3.09Å; L582-A586 WeakPolarHBondContact O-CB 3.46Å; L582-A586 PolarHBondContact O-N 3.36Å
583	N	97.1	Very high	94.3	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-68.7	-38.5	177.1	-78.8	11.8	0	0	0	112.3	T378 F380 M572 V575 L581 A586 A587	T378-N583 HydrophobicContact CG2-CB 3.96Å; T378-N583 WeakPolarHBondContact CG2-O 3.32Å; T378-N583 WeakPolarHBondContact O-CB 3.29Å; T378-N583 PolarHBondContact O-ND2 3.26Å; F380-N583 HydrophobicContact CD2-CB 4.23Å; F380-N583 HydrophobicContact CE2-CB 4.42Å; F380-N583 WeakPolarHBondContact CE2-O 3.48Å; M572-N583 PolarHBondContact O-ND2 3.24Å; V575-N583 WeakPolarHBondContact CB-OD1 3.14Å; V575-N583 WeakPolarHBondContact CG2-OD1 3.18Å; L581-N583 VanDerWaalsContact C-N 3.26Å; L581-N583 PolarHBondContact O-N 2.94Å; N583-A586 PolarHBondContact O-N 3.31Å; N583-A587 WeakPolarHBondContact O-CB 3.26Å; N583-A587 PolarHBondContact O-N 3.47Å
584	D	95.9	Very high	93.9	Very high	35 Å²	35	35.5 Å²	35.5	19%	0.187	20%	0.198	C	C	.	.	H	α-helix	trans	-65.5	-44	177.3	-69.4	3.5	0	0	0	111.1	T378 L581 A586 A587 G588 L589 S590	T378-D584 WeakPolarHBondContact CB-OD1 3.43Å; T378-D584 PolarHBondContact OG1-OD1 2.89Å; L581-D584 HydrophobicContact CB-CB 3.9Å; L581-D584 WeakPolarHBondContact CD1-OD2 3.43Å; L581-D584 PolarHBondContact O-N 2.89Å; L581-D584 VanDerWaalsContact O-N 3.08Å; D584-A586 VanDerWaalsContact C-N 3.34Å; D584-A587 PolarHBondContact O-N 3.2Å; D584-G588 PolarHBondContact O-N 2.79Å; D584-G588 VanDerWaalsContact O-N 3.11Å; D584-L589 HydrophobicContact CB-CB 4.32Å; D584-L589 PolarHBondContact O-N 3.12Å; D584-S590 PolarHBondContact O-N 3.29Å
585	I	96	Very high	93.8	Very high	15 Å²	15	36.1 Å²	36.1	8%	0.077	20%	0.199	C	C	.	.	H	α-helix	trans	-62.6	-46.1	175.4	-59.9	160.8	0	0	0	109.5	L417 L580 L581 A587 G588 S590 L592 I595 V597	L417-I585 HydrophobicContact CD2-CG2 4.36Å; L580-I585 HydrophobicContact CB-CD1 3.94Å; L580-I585 HydrophobicContact CD2-CD1 4Å; L580-I585 HydrophobicContact CG-CD1 4.47Å; L581-I585 WeakPolarHBondContact O-CG1 3.39Å; L581-I585 PolarHBondContact O-N 3.22Å; I585-A587 VanDerWaalsContact C-N 3.31Å; I585-A587 PolarHBondContact O-N 3.39Å; I585-G588 PolarHBondContact O-N 3.33Å; I585-S590 WeakPolarHBondContact CA-O 2.97Å; I585-L592 HydrophobicContact CD1-CD1 3.66Å; I585-L592 HydrophobicContact CG1-CD1 4.15Å; I585-I595 HydrophobicContact CG2-CB 4.41Å; I585-I595 HydrophobicContact CG2-CG2 3.97Å; I585-V597 HydrophobicContact CG2-CG2 3.78Å
586	A	97.3	Very high	93.8	Very high	4 Å²	4	39.8 Å²	39.8	3%	0.033	22%	0.216	C	C	.	.	H	α-helix	trans	-64.8	-35	179.5	0	0	0	0	0	112.4	F380 L415 L582 N583 D584 G588 V597 R599	F380-A586 HydrophobicContact CE2-CB 3.86Å; F380-A586 HydrophobicContact CZ-CB 3.88Å; L415-A586 HydrophobicContact CD1-CB 3.86Å; L582-A586 WeakPolarHBondContact O-CB 3.46Å; L582-A586 PolarHBondContact O-N 3.36Å; N583-A586 PolarHBondContact O-N 3.31Å; D584-A586 VanDerWaalsContact C-N 3.34Å; A586-G588 VanDerWaalsContact C-N 3.31Å; A586-V597 HydrophobicContact CB-CG1 4.06Å; A586-R599 PolarHBondContact O-NE 2.95Å; A586-R599 PolarHBondContact O-NH2 3.42Å
587	A	96.3	Very high	93.8	Very high	19 Å²	19	41 Å²	41	16%	0.157	23%	0.225	C	C	.	.	H	α-helix	trans	-77	-13	177.5	0	0	0	0	0	113.7	T378 F380 N583 D584 I585 L589 H605	T378-A587 HydrophobicContact CG2-CB 3.69Å; F380-A587 HydrophobicContact CE2-CB 3.94Å; F380-A587 HydrophobicContact CZ-CB 4.04Å; N583-A587 WeakPolarHBondContact O-CB 3.26Å; N583-A587 PolarHBondContact O-N 3.47Å; D584-A587 PolarHBondContact O-N 3.2Å; I585-A587 VanDerWaalsContact C-N 3.31Å; I585-A587 PolarHBondContact O-N 3.39Å; A587-L589 VanDerWaalsContact C-N 3.34Å; A587-L589 HydrophobicContact CB-CD1 4.14Å; A587-L589 HydrophobicContact CB-CG 3.96Å; A587-H605 HydrophobicContact CB-CB 4.46Å
588	G	94.9	Very high	93.8	Very high	61 Å²	61	42.4 Å²	42.4	63%	0.629	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.2	14.3	-174.4	0	0	0	0	0	113.9	D584 I585 A586	D584-G588 PolarHBondContact O-N 2.79Å; D584-G588 VanDerWaalsContact O-N 3.11Å; I585-G588 PolarHBondContact O-N 3.33Å; A586-G588 VanDerWaalsContact C-N 3.31Å
589	L	93	Very high	93.9	Very high	107 Å²	107	47.4 Å²	47.4	56%	0.56	25%	0.251	S	S	*	.	S	Bend	trans	-80.1	-23	175.8	-60	176.6	0	0	0	112	T378 D584 A587	T378-L589 HydrophobicContact CG2-CD1 3.93Å; T378-L589 WeakPolarHBondContact OG1-CD1 3.16Å; D584-L589 HydrophobicContact CB-CB 4.32Å; D584-L589 PolarHBondContact O-N 3.12Å; A587-L589 VanDerWaalsContact C-N 3.34Å; A587-L589 HydrophobicContact CB-CD1 4.14Å; A587-L589 HydrophobicContact CB-CG 3.96Å
590	S	89.9	Confident	94	Very high	31 Å²	31	49.8 Å²	49.8	22%	0.217	26%	0.261	C	S	.	.	S	Bend	trans	-130.3	131.8	171.7	-172.3	0	0	0	0	109.7	D584 I585	D584-S590 PolarHBondContact O-N 3.29Å; I585-S590 WeakPolarHBondContact CA-O 2.97Å
591	Y	89.3	Confident	93.7	Very high	188 Å²	188	52.8 Å²	52.8	74%	0.737	29%	0.293	S	S	*	.			trans	-110.3	119.6	179.3	-179.5	-107	0	0	0	110.9	V593	Y591-V593 HydrophobicContact CD1-CG2 4.28Å; Y591-V593 HydrophobicContact CE1-CB 4.41Å; Y591-V593 HydrophobicContact CE1-CG2 3.47Å; Y591-V593 VanDerWaalsContact CE1-CG2 3.47Å
592	L	89.9	Confident	93.4	Very high	13 Å²	13	51.9 Å²	51.9	7%	0.068	29%	0.288	C	S	.	.			trans	-120.9	110.2	173.6	-62.1	177.5	0	0	0	108.5	L246 L249 L580 I585 H594 I595	L246-L592 HydrophobicContact CD2-CD2 4.23Å; L249-L592 HydrophobicContact CD1-CD1 3.8Å; L249-L592 HydrophobicContact CD1-CD2 4.07Å; L580-L592 HydrophobicContact CD2-CD1 3.54Å; I585-L592 HydrophobicContact CD1-CD1 3.66Å; I585-L592 HydrophobicContact CG1-CD1 4.15Å; L592-H594 PolarHBondContact O-N 3.19Å; L592-I595 HydrophobicContact CB-CB 4.21Å; L592-I595 HydrophobicContact CB-CG1 3.93Å; L592-I595 HydrophobicContact CD1-CG1 4.08Å; L592-I595 PolarHBondContact O-N 2.93Å
593	V	89.4	Confident	93.1	Very high	98 Å²	98	52.4 Å²	52.4	59%	0.594	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-31.6	-177.5	178.9	0	0	0	0	112.7	Y591	Y591-V593 HydrophobicContact CD1-CG2 4.28Å; Y591-V593 HydrophobicContact CE1-CB 4.41Å; Y591-V593 HydrophobicContact CE1-CG2 3.47Å; Y591-V593 VanDerWaalsContact CE1-CG2 3.47Å
594	H	89.7	Confident	92.9	Very high	89 Å²	89	55.1 Å²	55.1	41%	0.412	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	5	-176.4	-48	99.7	0	0	0	113.9	Y419 K420 D421 L592	Y419-H594 CarbonylContact C-O 3.55Å; K420-H594 PolarHBondContact N-O 2.72Å; D421-H594 HydrophobicContact CB-CB 3.91Å; L592-H594 PolarHBondContact O-N 3.19Å
595	I	94	Very high	92.8	Very high	22 Å²	22	55.9 Å²	55.9	11%	0.113	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	120.8	176.6	-56.9	-64.6	0	0	0	109.1	L417 I418 Y419 L580 I585 L592 V597	L417-I595 HydrophobicContact CB-CG2 4.23Å; L417-I595 HydrophobicContact CD2-CG2 4.1Å; I418-I595 WeakPolarHBondContact O-CA 3.41Å; Y419-I595 HydrophobicContact CD1-CD1 3.3Å; Y419-I595 HydrophobicContact CE1-CD1 3.55Å; Y419-I595 HydrophobicContact CG-CD1 4.13Å; L580-I595 HydrophobicContact CD1-CD1 4.09Å; I585-I595 HydrophobicContact CG2-CB 4.41Å; I585-I595 HydrophobicContact CG2-CG2 3.97Å; L592-I595 HydrophobicContact CB-CB 4.21Å; L592-I595 HydrophobicContact CB-CG1 3.93Å; L592-I595 HydrophobicContact CD1-CG1 4.08Å; L592-I595 PolarHBondContact O-N 2.93Å; I595-V597 HydrophobicContact CG2-CG2 4.4Å
596	H	96.4	Very high	92.6	Very high	79 Å²	79	57 Å²	57	37%	0.366	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	124.1	172.8	176.9	73.1	0	0	0	110.4	L417 I418 K420 T598	L417-H596 CarbonylContact C-O 3.57Å; L417-H596 WeakPolarHBondContact CA-O 3.45Å; I418-H596 HydrophobicContact CB-CB 4.49Å; I418-H596 PolarHBondContact N-O 2.96Å; I418-H596 PolarHBondContact O-N 3Å; K420-H596 HydrophobicContact CD-CB 4.22Å; K420-H596 HydrophobicContact CG-CB 3.9Å; H596-T598 PolarHBondContact NE2-OG1 3.24Å; H596-T598 VanDerWaalsContact NE2-OG1 3.15Å
597	V	97.1	Very high	92.2	Very high	37 Å²	37	60.7 Å²	60.7	22%	0.224	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	134.6	175.7	-174.8	0	0	0	0	110	R416 L417 I585 A586 I595	R416-V597 CarbonylContact O-C 3.56Å; R416-V597 WeakPolarHBondContact O-CA 3.45Å; L417-V597 HydrophobicContact CD2-CG2 3.89Å; L417-V597 HydrophobicContact CG-CG2 4.14Å; I585-V597 HydrophobicContact CG2-CG2 3.78Å; A586-V597 HydrophobicContact CB-CG1 4.06Å; I595-V597 HydrophobicContact CG2-CG2 4.4Å
598	T	96.5	Very high	91.7	Very high	29 Å²	29	65.6 Å²	65.6	18%	0.178	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	129.2	167.7	-42.1	0	0	0	0	108.7	R416 H596 F600	R416-T598 PolarHBondContact N-O 3.48Å; R416-T598 PolarHBondContact NE-OG1 3.07Å; R416-T598 PolarHBondContact NH2-OG1 3.25Å; R416-T598 PolarHBondContact O-N 3.33Å; H596-T598 PolarHBondContact NE2-OG1 3.24Å; H596-T598 VanDerWaalsContact NE2-OG1 3.15Å; T598-F600 HydrophobicContact CG2-CD2 4.22Å; T598-F600 HydrophobicContact CG2-CE1 3.97Å; T598-F600 HydrophobicContact CG2-CE2 3.51Å; T598-F600 HydrophobicContact CG2-CZ 3.37Å
599	R	94.2	Very high	91.6	Very high	120 Å²	120	64 Å²	64	45%	0.453	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	135.7	173.2	-46.9	-162.4	-174.3	145.1	-1.2	109.1	L415 A586	L415-R599 HydrophobicContact CD2-CB 3.77Å; L415-R599 HydrophobicContact CD2-CG 3.52Å; A586-R599 PolarHBondContact O-NE 2.95Å; A586-R599 PolarHBondContact O-NH2 3.42Å
600	F	92.5	Very high	91.5	Very high	53 Å²	53	64.9 Å²	64.9	23%	0.232	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	132.3	-179	-63.3	-89.6	0	0	0	110.1	G413 Y414 R416 W555 T598	G413-F600 WeakPolarHBondContact CA-O 3.33Å; Y414-F600 HydrophobicContact CD1-CB 3.91Å; Y414-F600 HydrophobicContact CD2-CB 3.88Å; Y414-F600 AromaticContact CD2-CD2 3.6Å; Y414-F600 HydrophobicContact CD2-CD2 3.6Å; Y414-F600 HydrophobicContact CD2-CE2 4.41Å; Y414-F600 AromaticContact CD2-CG 3.97Å; Y414-F600 HydrophobicContact CD2-CG 3.97Å; Y414-F600 HydrophobicContact CE1-CB 3.58Å; Y414-F600 HydrophobicContact CE1-CG 4.24Å; Y414-F600 HydrophobicContact CE2-CB 3.54Å; Y414-F600 HydrophobicContact CE2-CD1 4.09Å; Y414-F600 AromaticContact CE2-CD2 3.26Å; Y414-F600 HydrophobicContact CE2-CD2 3.26Å; Y414-F600 AromaticContact CE2-CE2 3.91Å; Y414-F600 HydrophobicContact CE2-CE2 3.91Å; Y414-F600 AromaticContact CE2-CG 3.36Å; Y414-F600 HydrophobicContact CE2-CG 3.36Å; Y414-F600 HydrophobicContact CG-CB 4.04Å; Y414-F600 AromaticContact CZ-CD2 3.95Å; Y414-F600 AromaticContact CZ-CG 3.52Å; Y414-F600 PolarHBondContact N-O 2.89Å; Y414-F600 PolarHBondContact O-N 3.33Å; R416-F600 HydrophobicContact CB-CE2 3.76Å; W555-F600 HydrophobicContact CZ3-CE2 4.03Å; T598-F600 HydrophobicContact CG2-CD2 4.22Å; T598-F600 HydrophobicContact CG2-CE1 3.97Å; T598-F600 HydrophobicContact CG2-CE2 3.51Å; T598-F600 HydrophobicContact CG2-CZ 3.37Å
601	G	87.7	Confident	91.5	Very high	68 Å²	68	64.3 Å²	64.3	70%	0.701	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	59	-144.2	178.2	0	0	0	0	0	113	I412 V603	I412-G601 CarbonylContact O-C 3.41Å; I412-G601 WeakPolarHBondContact O-CA 3.47Å; G601-V603 PolarHBondContact O-N 2.75Å; G601-V603 VanDerWaalsContact O-N 3.12Å
602	N	86.2	Confident	91.6	Very high	21 Å²	21	60.3 Å²	60.3	11%	0.112	31%	0.31	C	S	.	.	S	Bend	trans	-88.2	79.8	-170.7	-162.9	-1.3	0	0	0	112.5	G383 I384 N385 D410 I412 K604	G383-N602 PolarHBondContact N-O 3.39Å; G383-N602 VanDerWaalsContact N-O 3.09Å; I384-N602 VanDerWaalsContact O-CG 3.27Å; I384-N602 PolarHBondContact O-ND2 2.99Å; I384-N602 PolarHBondContact O-OD1 2.83Å; N385-N602 PolarHBondContact N-ND2 2.82Å; N385-N602 PolarHBondContact OD1-ND2 2.85Å; D410-N602 PolarHBondContact O-ND2 2.86Å; I412-N602 PolarHBondContact O-N 3.48Å; N602-K604 WeakPolarHBondContact OD1-CE 3.45Å
603	V	91.4	Very high	91.3	Very high	10 Å²	10	62.4 Å²	62.4	6%	0.061	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	118.6	173.2	-179.5	0	0	0	0	109.9	F380 V381 Y382 L415 G601	F380-V603 HydrophobicContact CB-CG1 4.2Å; F380-V603 HydrophobicContact CD1-CG1 3.44Å; F380-V603 VanDerWaalsContact CD1-CG1 3.44Å; F380-V603 HydrophobicContact CE1-CG1 4.15Å; F380-V603 HydrophobicContact CG-CG1 4.17Å; V381-V603 WeakPolarHBondContact O-CA 3.26Å; Y382-V603 HydrophobicContact CD1-CG1 4.25Å; Y382-V603 HydrophobicContact CD1-CG2 3.7Å; Y382-V603 HydrophobicContact CE1-CG1 4Å; Y382-V603 HydrophobicContact CE1-CG2 4.01Å; Y382-V603 HydrophobicContact CG-CG2 4.4Å; L415-V603 HydrophobicContact CD1-CG1 4.29Å; L415-V603 HydrophobicContact CD2-CB 4.26Å; L415-V603 HydrophobicContact CD2-CG1 3.68Å; L415-V603 HydrophobicContact CG-CG1 3.9Å; G601-V603 PolarHBondContact O-N 2.75Å; G601-V603 VanDerWaalsContact O-N 3.12Å
604	K	92.3	Very high	90.6	Very high	59 Å²	59	62.6 Å²	62.6	26%	0.257	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	135.6	-173.6	-66.2	172.3	179.5	168.8	0	111.3	F380 V381 D386 N602	F380-K604 CarbonylContact C-O 3.48Å; F380-K604 VanDerWaalsContact CA-O 3.27Å; F380-K604 WeakPolarHBondContact CA-O 3.44Å; F380-K604 VanDerWaalsContact CD1-C 3.4Å; F380-K604 WeakPolarHBondContact CD1-O 3.45Å; V381-K604 HydrophobicContact CG1-CB 3.81Å; V381-K604 PolarHBondContact N-O 3.31Å; V381-K604 PolarHBondContact O-N 3.48Å; V381-K604 VanDerWaalsContact O-N 3.11Å; D386-K604 IonicContact OD1-NZ 3.79Å; D386-K604 PolarHBondContact OD1-NZ 2.81Å; D386-K604 IonicContact OD2-NZ 2.78Å; D386-K604 PolarHBondContact OD2-NZ 2.81Å; N602-K604 WeakPolarHBondContact OD1-CE 3.45Å
605	H	94.5	Very high	89.1	Confident	51 Å²	51	66.8 Å²	66.8	24%	0.236	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	126.3	172	172.3	-128.4	0	0	0	108.9	T378 T379 F380 A587	T378-H605 WeakPolarHBondContact CG2-NE2 3.47Å; T379-H605 PolarHBondContact O-CD2 2.8Å; T379-H605 VanDerWaalsContact O-CD2 3.31Å; F380-H605 HydrophobicContact CD1-CB 4.17Å; F380-H605 HydrophobicContact CE1-CB 3.69Å; F380-H605 HydrophobicContact CE2-CB 4.22Å; F380-H605 HydrophobicContact CZ-CB 3.72Å; A587-H605 HydrophobicContact CB-CB 4.46Å
606	I	92.4	Very high	86.6	Confident	39 Å²	39	68 Å²	68	20%	0.2	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	119	179.1	-56.8	-59.8	0	0	0	108.8	T379 V381 F609	T379-I606 PolarHBondContact O-N 2.9Å; V381-I606 HydrophobicContact CB-CD1 4.48Å; V381-I606 HydrophobicContact CB-CG1 3.99Å; V381-I606 HydrophobicContact CG1-CD1 3.82Å; V381-I606 HydrophobicContact CG1-CG1 3.82Å; I606-F609 HydrophobicContact CG2-CB 4.2Å
607	T	88.2	Confident	83.6	Confident	81 Å²	81	72.6 Å²	72.6	50%	0.497	37%	0.373	S	S	.	.	S	Bend	trans	-80.5	-27.3	-179.1	54.7	0	0	0	0	112.7	R628	T607-R628 WeakPolarHBondContact O-CD 3.45Å; T607-R628 PolarHBondContact O-NH1 2.86Å
608	K	87	Confident	80.6	Confident	122 Å²	122	80.9 Å²	80.9	53%	0.53	40%	0.401	S	S	.	.	S	Bend	trans	-119.6	82.2	-179.4	-63.1	-175.6	-177.5	-174.3	0	109.8	D629	K608-D629 WeakPolarHBondContact CE-OD2 3.46Å; K608-D629 IonicContact NZ-OD2 3.85Å; K608-D629 PolarHBondContact NZ-OD2 2.86Å
609	F	91.7	Very high	77.6	Confident	27 Å²	27	82.8 Å²	82.8	12%	0.118	41%	0.406	C	S	.	.			trans	-108.8	130.8	173.4	176.1	-111.8	0	0	0	109.7	A376 T379 Q436 Y515 Y571 T573 I606 P611	A376-F609 HydrophobicContact CB-CD1 3.87Å; T379-F609 HydrophobicContact CG2-CB 3.95Å; T379-F609 HydrophobicContact CG2-CD1 3.81Å; T379-F609 HydrophobicContact CG2-CD2 4.16Å; T379-F609 HydrophobicContact CG2-CE1 4.35Å; T379-F609 HydrophobicContact CG2-CG 3.7Å; T379-F609 WeakPolarHBondContact OG1-CD1 3.14Å; Q436-F609 HydrophobicContact CB-CZ 4.3Å; Y515-F609 HydrophobicContact CD2-CE1 4.07Å; Y515-F609 HydrophobicContact CD2-CZ 4.31Å; Y515-F609 HydrophobicContact CE2-CE1 4.06Å; Y571-F609 AromaticContact CD1-CD2 3.79Å; Y571-F609 HydrophobicContact CD1-CD2 3.79Å; Y571-F609 AromaticContact CD1-CE2 3.73Å; Y571-F609 HydrophobicContact CD1-CE2 3.73Å; Y571-F609 HydrophobicContact CD2-CD2 4.43Å; Y571-F609 AromaticContact CD2-CE2 3.59Å; Y571-F609 HydrophobicContact CD2-CE2 3.59Å; Y571-F609 HydrophobicContact CD2-CZ 4.21Å; Y571-F609 HydrophobicContact CE1-CD2 4.07Å; Y571-F609 HydrophobicContact CE1-CE2 4.16Å; Y571-F609 HydrophobicContact CE2-CE2 4.01Å; Y571-F609 AromaticContact CG-CD2 3.99Å; Y571-F609 HydrophobicContact CG-CD2 3.99Å; Y571-F609 AromaticContact CG-CE2 3.42Å; Y571-F609 HydrophobicContact CG-CE2 3.42Å; Y571-F609 VanDerWaalsContact CG-CE2 3.42Å; Y571-F609 AromaticContact CG-CZ 3.99Å; Y571-F609 HydrophobicContact CG-CZ 3.99Å; T573-F609 WeakPolarHBondContact OG1-CE1 3.22Å; I606-F609 HydrophobicContact CG2-CB 4.2Å; F609-P611 HydrophobicContact CE1-CB 3.92Å; F609-P611 HydrophobicContact CZ-CB 4.32Å
610	Q	90.2	Very high	74.3	Confident	126 Å²	126	86.6 Å²	86.6	59%	0.589	43%	0.426	S	S	*	.			trans	-115.4	115.1	172.4	-70.6	-175.9	-12.9	0	0	108.2
611	P	90.4	Very high	71.5	Confident	18 Å²	18	89.3 Å²	89.3	12%	0.117	44%	0.443	C	S	.	.			trans	-69.2	135.3	-178.5	27.4	-32.2	0	0	0	110.5	F368 A376 Y515 F609 L613	F368-P611 HydrophobicContact CE1-CG 4.31Å; A376-P611 HydrophobicContact CB-CG 4.4Å; Y515-P611 HydrophobicContact CD1-CB 4.33Å; Y515-P611 HydrophobicContact CD2-CB 3.5Å; Y515-P611 VanDerWaalsContact CD2-CB 3.5Å; Y515-P611 HydrophobicContact CE2-CB 4.1Å; Y515-P611 HydrophobicContact CG-CB 3.61Å; F609-P611 HydrophobicContact CE1-CB 3.92Å; F609-P611 HydrophobicContact CZ-CB 4.32Å; P611-L613 HydrophobicContact CB-CD2 4.34Å; P611-L613 PolarHBondContact O-N 2.73Å
612	K	90.9	Very high	68.7	Low	105 Å²	105	89 Å²	89	46%	0.457	44%	0.439	S	S	.	.			trans	-81.7	91.9	172.6	-170.7	-173.4	177.5	-171.7	0	108.6	F514 Y515	F514-K612 CarbonylContact C-O 3.59Å; F514-K612 VanDerWaalsContact CA-O 3.26Å; F514-K612 WeakPolarHBondContact CA-O 3.26Å; F514-K612 WeakPolarHBondContact CB-O 3.35Å; F514-K612 HydrophobicContact CD1-CD 4Å; F514-K612 HydrophobicContact CD1-CG 3.75Å; F514-K612 WeakPolarHBondContact CD1-O 3.36Å; F514-K612 HydrophobicContact CE1-CD 4.07Å; F514-K612 HydrophobicContact CE1-CG 4Å; Y515-K612 PolarHBondContact N-O 3.04Å
613	L	85.1	Confident	66.4	Low	56 Å²	56	90 Å²	90	29%	0.293	45%	0.447	S	S	.	.			trans	-77.9	143	179.4	-59.6	172.7	0	0	0	110.9	Y515 P611 K615 Y625	Y515-L613 HydrophobicContact CD1-CD2 4.12Å; Y515-L613 HydrophobicContact CG-CD2 4.43Å; P611-L613 HydrophobicContact CB-CD2 4.34Å; P611-L613 PolarHBondContact O-N 2.73Å; L613-K615 PolarHBondContact O-N 2.75Å; L613-Y625 HydrophobicContact CD1-CE2 4.01Å
614	L	74.5	Confident	63.4	Low	102 Å²	102	97.1 Å²	97.1	53%	0.534	48%	0.484	S	S	.	.			trans	-64.6	118.5	173	-144.4	112.6	0	0	0	108.2	F514 S616	F514-L614 HydrophobicContact CB-CD1 4.03Å; F514-L614 HydrophobicContact CD1-CB 4.33Å; F514-L614 HydrophobicContact CD1-CD1 4.19Å; F514-L614 HydrophobicContact CD1-CG 4.43Å; F514-L614 HydrophobicContact CD2-CD1 3.65Å; F514-L614 HydrophobicContact CE2-CD1 4.08Å; F514-L614 HydrophobicContact CG-CD1 3.7Å; F514-L614 HydrophobicContact CG-CG 4.43Å; L614-S616 VanDerWaalsContact C-N 3.3Å; L614-S616 PolarHBondContact O-N 3.44Å
615	K	56.8	Low	60.9	Low	178 Å²	178	96.6 Å²	96.6	77%	0.774	48%	0.481	S	S	*	.			trans	-70.9	94.1	166.8	-70.8	-177.4	-178.6	179.5	0	106.2	L613 D617	L613-K615 PolarHBondContact O-N 2.75Å; K615-D617 PolarHBondContact O-N 3.19Å
616	S	43.4	Very low	57.8	Low	47 Å²	47	97 Å²	97	33%	0.329	49%	0.486	S	S	.	.			trans	-58.4	135.2	170.5	163.6	0	0	0	0	108.1	L614 Y618 Y619	L614-S616 VanDerWaalsContact C-N 3.3Å; L614-S616 PolarHBondContact O-N 3.44Å; S616-Y618 PolarHBondContact O-N 2.78Å; S616-Y618 PolarHBondContact OG-N 3.14Å; S616-Y619 WeakPolarHBondContact O-CA 3.39Å; S616-Y619 WeakPolarHBondContact O-CB 3.35Å; S616-Y619 PolarHBondContact O-N 3.32Å
617	D	32.7	Very low	54.8	Low	175 Å²	175	98.7 Å²	98.7	94%	0.936	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-3.9	175.2	-76.1	-38.9	0	0	0	112.7	K615	K615-D617 PolarHBondContact O-N 3.19Å
618	Y	34	Very low	52.3	Low	211 Å²	211	98.9 Å²	98.9	83%	0.827	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	3.8	165.8	-93.8	-88.7	0	0	0	114.5	S616	S616-Y618 PolarHBondContact O-N 2.78Å; S616-Y618 PolarHBondContact OG-N 3.14Å
619	Y	33	Very low	49.7	Very low	69 Å²	69	98.5 Å²	98.5	27%	0.271	49%	0.492	S	S	.	.			trans	-131.7	81	-172.5	-86.1	-82.3	0	0	0	112.3	L341 S616 D621 I640 L641	L341-Y619 HydrophobicContact CD2-CE1 4.39Å; L341-Y619 WeakPolarHBondContact CD2-OH 3.18Å; S616-Y619 WeakPolarHBondContact O-CA 3.39Å; S616-Y619 WeakPolarHBondContact O-CB 3.35Å; S616-Y619 PolarHBondContact O-N 3.32Å; Y619-D621 PolarHBondContact O-N 3.26Å; Y619-I640 HydrophobicContact CD1-CG1 4.35Å; Y619-I640 HydrophobicContact CD1-CG2 4.39Å; Y619-I640 HydrophobicContact CE1-CB 4.13Å; Y619-I640 HydrophobicContact CE1-CG1 4.3Å; Y619-I640 HydrophobicContact CE1-CG2 3.77Å; Y619-I640 HydrophobicContact CE2-CG2 4.43Å; Y619-L641 WeakPolarHBondContact OH-CB 3.31Å; Y619-L641 PolarHBondContact OH-N 2.84Å; Y619-L641 PolarHBondContact OH-O 3.49Å
620	K	26.4	Very low	46.8	Very low	200 Å²	200	103.2 Å²	103.2	87%	0.87	51%	0.514	S	S	*	.			trans	-75.9	97.9	156.8	-79.1	-177.8	176.6	177.2	0	108.8
621	D	32.8	Very low	43.9	Very low	110 Å²	110	102.3 Å²	102.3	59%	0.588	52%	0.519	S	S	*	.			trans	159.5	123.6	131.2	-82.2	-17.8	0	0	0	111	Y619 V623	Y619-D621 PolarHBondContact O-N 3.26Å; D621-V623 PolarHBondContact O-N 3.23Å
622	G	29.4	Very low	41	Very low	61 Å²	61	106 Å²	106	63%	0.629	54%	0.541	S	S	*	.			trans	-65.4	129.2	-177.1	0	0	0	0	0	112.5	N624	G622-N624 PolarHBondContact O-N 2.93Å
623	V	37.7	Very low	38	Very low	44 Å²	44	105.8 Å²	105.8	27%	0.267	55%	0.553	S	S	.	*			trans	-80.7	106.5	163.2	-177.7	0	0	0	0	107.6	D621 Y625 N638	D621-V623 PolarHBondContact O-N 3.23Å; V623-Y625 HydrophobicContact CB-CD2 4.43Å; V623-Y625 HydrophobicContact CB-CE2 3.93Å; V623-Y625 HydrophobicContact CG1-CD1 4.02Å; V623-Y625 HydrophobicContact CG1-CD2 4.12Å; V623-Y625 HydrophobicContact CG1-CE1 3.65Å; V623-Y625 HydrophobicContact CG1-CE2 3.8Å; V623-Y625 HydrophobicContact CG1-CG 4.25Å; V623-Y625 WeakPolarHBondContact O-CD2 3.48Å; V623-Y625 PolarHBondContact O-N 2.94Å; V623-N638 WeakPolarHBondContact CG2-O 3.26Å
624	N	29	Very low	35.3	Very low	159 Å²	159	112.5 Å²	112.5	85%	0.85	58%	0.583	S	S	*	*			trans	-69.6	109.4	165.1	-81.8	-20.4	0	0	0	108.3	G622	G622-N624 PolarHBondContact O-N 2.93Å
625	Y	38.5	Very low	33.1	Very low	48 Å²	48	116.1 Å²	116.1	19%	0.188	60%	0.597	C	S	.	*	P	Polyproline II helix	trans	-84.9	124.4	176.3	-72.9	-74.6	0	0	0	111.2	M374 L613 V623	M374-Y625 HydrophobicContact CB-CD1 4.36Å; M374-Y625 HydrophobicContact CB-CE1 4Å; M374-Y625 WeakPolarHBondContact O-CD1 3.36Å; M374-Y625 WeakPolarHBondContact O-CE1 3.45Å; L613-Y625 HydrophobicContact CD1-CE2 4.01Å; V623-Y625 HydrophobicContact CB-CD2 4.43Å; V623-Y625 HydrophobicContact CB-CE2 3.93Å; V623-Y625 HydrophobicContact CG1-CD1 4.02Å; V623-Y625 HydrophobicContact CG1-CD2 4.12Å; V623-Y625 HydrophobicContact CG1-CE1 3.65Å; V623-Y625 HydrophobicContact CG1-CE2 3.8Å; V623-Y625 HydrophobicContact CG1-CG 4.25Å; V623-Y625 WeakPolarHBondContact O-CD2 3.48Å; V623-Y625 PolarHBondContact O-N 2.94Å
626	V	30	Very low	31.9	Very low	58 Å²	58	114.8 Å²	114.8	35%	0.352	60%	0.604	S	S	.	*	P	Polyproline II helix	trans	-77.1	133.2	-177.4	-174.7	0	0	0	0	111.6	E630 V632	V626-E630 HydrophobicContact CG1-CB 4.33Å; V626-V632 HydrophobicContact CB-CG2 4.16Å; V626-V632 HydrophobicContact CG1-CG2 3.61Å; V626-V632 HydrophobicContact CG2-CG2 4.48Å
627	N	28.5	Very low	31.2	Very low	76 Å²	76	116.9 Å²	116.9	41%	0.406	62%	0.615	S	S	.	*	P	Polyproline II helix	trans	-50.7	158	-179	-81.9	-41	0	0	0	114.1	K375 D629	K375-N627 PolarHBondContact NZ-O 3.35Å; K375-N627 VanDerWaalsContact NZ-O 3.13Å; N627-D629 PolarHBondContact O-N 2.81Å
628	R	36.3	Very low	31.1	Very low	84 Å²	84	112.6 Å²	112.6	32%	0.317	59%	0.592	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.4	-11.2	179.3	-97.1	-171.5	-178.2	164.7	-12.7	114.6	T607	T607-R628 WeakPolarHBondContact O-CD 3.45Å; T607-R628 PolarHBondContact O-NH1 2.86Å
629	D	33.4	Very low	30.7	Very low	115 Å²	115	106.3 Å²	106.3	62%	0.615	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.7	1.4	-169	-54.5	-37.4	0	0	0	115.5	K608 N627	K608-D629 WeakPolarHBondContact CE-OD2 3.46Å; K608-D629 IonicContact NZ-OD2 3.85Å; K608-D629 PolarHBondContact NZ-OD2 2.86Å; N627-D629 PolarHBondContact O-N 2.81Å
630	E	30.6	Very low	30.5	Very low	125 Å²	125	105.1 Å²	105.1	58%	0.584	57%	0.565	S	S	*	*	S	Bend	trans	-102.3	137.4	179.9	-83.1	-177.5	152.7	0	0	113.7	V626 V632	V626-E630 HydrophobicContact CG1-CB 4.33Å; E630-V632 PolarHBondContact O-N 2.91Å
631	P	28	Very low	30.5	Very low	107 Å²	107	98.9 Å²	98.9	70%	0.695	54%	0.54	S	S	*	.			trans	-72.1	111.3	166.8	29.8	-29	0	0	0	109.1	S633	P631-S633 PolarHBondContact O-N 2.92Å
632	V	30.8	Very low	30.3	Very low	97 Å²	97	97 Å²	97	59%	0.588	53%	0.527	S	S	*	.			trans	-85.8	112.9	-177.9	-177.1	0	0	0	0	110	V626 E630	V626-V632 HydrophobicContact CB-CG2 4.16Å; V626-V632 HydrophobicContact CG1-CG2 3.61Å; V626-V632 HydrophobicContact CG2-CG2 4.48Å; E630-V632 PolarHBondContact O-N 2.91Å
633	S	27.8	Very low	30.1	Very low	100 Å²	100	100.9 Å²	100.9	70%	0.699	53%	0.533	S	S	*	.			trans	-69.2	144.2	161.1	49.8	0	0	0	0	110.3	P631 E635	P631-S633 PolarHBondContact O-N 2.92Å; S633-E635 PolarHBondContact O-N 2.98Å
634	E	28.7	Very low	29.7	Very low	196 Å²	196	99.6 Å²	99.6	92%	0.916	53%	0.526	S	S	*	.	S	Bend	trans	-60.8	101.7	176.5	-70.2	177.7	144.3	0	0	110.7
635	E	28.3	Very low	29.7	Very low	179 Å²	179	96.9 Å²	96.9	84%	0.836	51%	0.511	S	S	*	.			trans	174	98.8	149.4	-101.8	167.9	-170.3	0	0	110	S633	S633-E635 PolarHBondContact O-N 2.98Å
636	T	30.1	Very low	29.5	Very low	150 Å²	150	95.5 Å²	95.5	92%	0.92	51%	0.508	S	S	*	.			trans	166.4	120.8	136.7	30.2	0	0	0	0	109.5
637	T	28.7	Very low	29.7	Very low	91 Å²	91	96.3 Å²	96.3	56%	0.558	51%	0.51	S	S	*	.			trans	-122.7	129.7	179.9	21.5	0	0	0	0	108.4
638	N	31.2	Very low	30.2	Very low	84 Å²	84	94.9 Å²	94.9	45%	0.449	50%	0.5	S	S	.	.			trans	-143.8	155.2	167.7	-94.5	-14.8	0	0	0	112	Q343 V623	Q343-N638 PolarHBondContact NE2-O 3.04Å; Q343-N638 PolarHBondContact OE1-O 3.27Å; V623-N638 WeakPolarHBondContact CG2-O 3.26Å
639	R	25.6	Very low	30	Very low	80 Å²	80	92.5 Å²	92.5	30%	0.302	49%	0.492	S	S	.	.			trans	-78.7	138.9	-149.4	-72.6	178.9	174.9	136.5	14.5	118.2	L341 Q343	L341-R639 WeakPolarHBondContact O-CD 3.24Å; L341-R639 PolarHBondContact O-NE 2.81Å; Q343-R639 HydrophobicContact CG-CB 4.41Å; Q343-R639 HydrophobicContact CG-CG 4.35Å
640	I	29.1	Very low	30	Very low	44 Å²	44	91.8 Å²	91.8	23%	0.226	48%	0.482	C	S	.	.			trans	-154.6	134	143.5	-48	-176.9	0	0	0	110	Y619 F642	Y619-I640 HydrophobicContact CD1-CG1 4.35Å; Y619-I640 HydrophobicContact CD1-CG2 4.39Å; Y619-I640 HydrophobicContact CE1-CB 4.13Å; Y619-I640 HydrophobicContact CE1-CG1 4.3Å; Y619-I640 HydrophobicContact CE1-CG2 3.77Å; Y619-I640 HydrophobicContact CE2-CG2 4.43Å; I640-F642 HydrophobicContact CB-CE2 4.18Å; I640-F642 HydrophobicContact CG2-CD2 3.8Å; I640-F642 HydrophobicContact CG2-CE2 3.23Å; I640-F642 HydrophobicContact CG2-CZ 3.67Å
641	L	25.4	Very low	30	Very low	69 Å²	69	89.5 Å²	89.5	36%	0.361	48%	0.48	S	S	.	.			trans	-93.8	127.6	177.1	-172.7	106.7	0	0	0	109.4	L341 Y619	L341-L641 HydrophobicContact CD1-CD1 3.64Å; L341-L641 HydrophobicContact CD1-CD2 4.31Å; L341-L641 HydrophobicContact CD1-CG 4.42Å; L341-L641 HydrophobicContact CD2-CB 3.35Å; L341-L641 HydrophobicContact CD2-CD1 3.89Å; L341-L641 HydrophobicContact CD2-CD2 4.04Å; L341-L641 HydrophobicContact CD2-CG 3.93Å; L341-L641 HydrophobicContact CG-CB 3.86Å; L341-L641 HydrophobicContact CG-CD1 3.46Å; L341-L641 VanDerWaalsContact CG-CD1 3.46Å; L341-L641 HydrophobicContact CG-CD2 4.4Å; L341-L641 HydrophobicContact CG-CG 4.09Å; Y619-L641 WeakPolarHBondContact OH-CB 3.31Å; Y619-L641 PolarHBondContact OH-N 2.84Å; Y619-L641 PolarHBondContact OH-O 3.49Å
642	F	29.2	Very low	30	Very low	71 Å²	71	91.1 Å²	91.1	31%	0.311	48%	0.482	S	S	.	.			trans	-139.9	129.6	165.9	-71.5	-64.8	0	0	0	109.9	D533 I640	D533-F642 WeakPolarHBondContact OD1-CD1 3.47Å; D533-F642 VanDerWaalsContact OD2-CD1 3.27Å; D533-F642 WeakPolarHBondContact OD2-CD1 3.29Å; D533-F642 WeakPolarHBondContact OD2-CE1 3.37Å; I640-F642 HydrophobicContact CB-CE2 4.18Å; I640-F642 HydrophobicContact CG2-CD2 3.8Å; I640-F642 HydrophobicContact CG2-CE2 3.23Å; I640-F642 HydrophobicContact CG2-CZ 3.67Å
643	N	25	Very low	29.8	Very low	142 Å²	142	90.2 Å²	90.2	76%	0.759	48%	0.481	S	S	*	.			trans	-120.1	80.3	179.6	-107.5	-12.1	0	0	0	107
644	S	29.4	Very low	29.8	Very low	17 Å²	17	89.2 Å²	89.2	12%	0.119	47%	0.474	C	S	.	.			trans	-142.2	87.7	156.6	60.5	0	0	0	0	109.9	R519 E530	R519-S644 PolarHBondContact NH1-O 3.07Å; R519-S644 PolarHBondContact NH1-OG 2.99Å; E530-S644 WeakPolarHBondContact OE1-CB 3.27Å; E530-S644 PolarHBondContact OE1-OG 3.3Å
645	L	30	Very low	29.6	Very low	102 Å²	102	86 Å²	86	53%	0.534	47%	0.469	S	S	.	.			trans	-62.7	145.7	172.4	-104	84.9	0	0	0	110.7	L647	L645-L647 PolarHBondContact O-N 2.85Å
646	P	32.7	Very low	29.6	Very low	19 Å²	19	82 Å²	82	12%	0.123	46%	0.462	C	S	.	.			trans	-57.5	111.1	167.8	-16	27.7	0	0	0	109.3	F648	P646-F648 PolarHBondContact O-N 3.19Å
647	L	35.3	Very low	29.3	Very low	75 Å²	75	80.1 Å²	80.1	39%	0.393	46%	0.455	S	S	.	.			trans	-85.7	101.4	171.4	-84.1	161.8	0	0	0	107.9	L645 F649	L645-L647 PolarHBondContact O-N 2.85Å; L647-F649 PolarHBondContact O-N 3.11Å; L647-F649 VanDerWaalsContact O-N 3.13Å
648	F	38	Very low	29.2	Very low	46 Å²	46	83.4 Å²	83.4	20%	0.202	47%	0.468	C	S	.	.			trans	-56.5	116	156.5	-65.5	-72.9	0	0	0	107.5	I161 S256 P646 Y650	I161-F648 HydrophobicContact CG2-CD2 3.69Å; I161-F648 HydrophobicContact CG2-CE2 3.87Å; S256-F648 VanDerWaalsContact CB-CE1 3.47Å; P646-F648 PolarHBondContact O-N 3.19Å; F648-Y650 HydrophobicContact CB-CE2 4.05Å; F648-Y650 WeakPolarHBondContact O-CD2 3.37Å; F648-Y650 PolarHBondContact O-N 2.9Å
649	F	32.3	Very low	28.8	Very low	33 Å²	33	86.1 Å²	86.1	15%	0.145	49%	0.487	C	S	.	.			trans	-60.1	105.1	171.2	-72.2	-82.2	0	0	0	108.8	Y521 V523 Q526 I528 T537 L647 S651	Y521-F649 WeakPolarHBondContact O-CE2 3.41Å; V523-F649 HydrophobicContact CB-CB 4.11Å; V523-F649 HydrophobicContact CB-CD2 4.03Å; V523-F649 HydrophobicContact CB-CG 4.3Å; V523-F649 HydrophobicContact CG2-CB 3.94Å; V523-F649 HydrophobicContact CG2-CD2 3.62Å; V523-F649 HydrophobicContact CG2-CE2 4.41Å; V523-F649 HydrophobicContact CG2-CG 4.17Å; Q526-F649 HydrophobicContact CB-CD1 4.49Å; Q526-F649 HydrophobicContact CB-CE1 4.16Å; Q526-F649 HydrophobicContact CB-CZ 4.41Å; Q526-F649 HydrophobicContact CG-CD1 3.93Å; Q526-F649 HydrophobicContact CG-CE1 3.37Å; Q526-F649 HydrophobicContact CG-CZ 3.92Å; I528-F649 HydrophobicContact CB-CE2 4.35Å; I528-F649 HydrophobicContact CB-CZ 3.79Å; I528-F649 HydrophobicContact CD1-CD1 4.05Å; I528-F649 HydrophobicContact CD1-CD2 4.45Å; I528-F649 HydrophobicContact CD1-CE1 3.23Å; I528-F649 HydrophobicContact CD1-CE2 3.75Å; I528-F649 HydrophobicContact CD1-CZ 3.13Å; I528-F649 HydrophobicContact CG1-CE1 3.56Å; I528-F649 HydrophobicContact CG1-CE2 4.12Å; I528-F649 HydrophobicContact CG1-CZ 3.22Å; T537-F649 HydrophobicContact CG2-CE1 4.33Å; L647-F649 PolarHBondContact O-N 3.11Å; L647-F649 VanDerWaalsContact O-N 3.13Å; F649-S651 PolarHBondContact O-N 3.4Å
650	Y	34.8	Very low	29	Very low	100 Å²	100	87.9 Å²	87.9	39%	0.392	51%	0.508	S	S	.	.			trans	-90.5	92.1	162.1	-64.8	-63.4	0	0	0	107.3	I161 H166 F648 N652	I161-Y650 WeakPolarHBondContact CD1-OH 3.24Å; I161-Y650 VanDerWaalsContact CG2-OH 3.29Å; I161-Y650 WeakPolarHBondContact CG2-OH 3.41Å; H166-Y650 AromaticContact CE1-CE1 3.29Å; H166-Y650 WeakPolarHBondContact CE1-CE1 3.43Å; H166-Y650 AromaticContact CE1-CZ 3.26Å; H166-Y650 PolarHBondContact CE1-OH 2.83Å; H166-Y650 AromaticContact ND1-CE1 3.77Å; H166-Y650 AromaticContact NE2-CZ 3.98Å; H166-Y650 PolarHBondContact NE2-OH 3.2Å; F648-Y650 HydrophobicContact CB-CE2 4.05Å; F648-Y650 WeakPolarHBondContact O-CD2 3.37Å; F648-Y650 PolarHBondContact O-N 2.9Å; Y650-N652 PolarHBondContact O-N 2.64Å
651	S	29.9	Very low	28.7	Very low	78 Å²	78	92.8 Å²	92.8	55%	0.545	53%	0.534	S	S	.	.			trans	-69.4	105.6	153.7	59.7	0	0	0	0	106.4	F649 S653	F649-S651 PolarHBondContact O-N 3.4Å; S651-S653 PolarHBondContact O-N 3.25Å
652	N	27.2	Very low	28.9	Very low	140 Å²	140	100.8 Å²	100.8	75%	0.749	56%	0.561	S	S	*	*			trans	-61	88.9	164.5	-83.3	-18.1	0	0	0	108.2	Y650 S654	Y650-N652 PolarHBondContact O-N 2.64Å; N652-S654 PolarHBondContact O-N 3.21Å
653	S	26.9	Very low	28.7	Very low	79 Å²	79	105.8 Å²	105.8	55%	0.552	58%	0.583	S	S	*	*			trans	-83.9	63.2	158.9	61.2	0	0	0	0	108.6	S651	S651-S653 PolarHBondContact O-N 3.25Å
654	S	27.1	Very low	28.9	Very low	79 Å²	79	109.3 Å²	109.3	55%	0.552	59%	0.587	S	S	*	*			trans	-124.1	107.2	161.4	46.6	0	0	0	0	107.5	N652 S656	N652-S654 PolarHBondContact O-N 3.21Å; S654-S656 PolarHBondContact O-N 3.03Å
655	P	25.3	Very low	28.9	Very low	127 Å²	127	117.9 Å²	117.9	83%	0.825	62%	0.623	S	S	*	*			trans	-83.3	92.5	169	31.5	-25.8	0	0	0	107.6
656	S	29.2	Very low	28.7	Very low	97 Å²	97	119.8 Å²	119.8	68%	0.678	63%	0.633	S	S	*	*			trans	176.6	111.9	150.5	30.7	0	0	0	0	112.9	S654	S654-S656 PolarHBondContact O-N 3.03Å
657	S	23.5	Very low	28.6	Very low	110 Å²	110	125.6 Å²	125.6	77%	0.769	66%	0.663	S	S	*	*			trans	26.2	96	139.3	60.1	0	0	0	0	118.5
658	L	26.8	Very low	28.2	Very low	159 Å²	159	128.8 Å²	128.8	83%	0.832	68%	0.68	S	S	*	*			trans	-145.2	98.6	140.1	-101.2	125	0	0	0	108.6	T660	L658-T660 PolarHBondContact O-N 3.28Å
659	T	22.2	Very low	28	Very low	141 Å²	141	134.8 Å²	134.8	87%	0.865	71%	0.713	S	S	*	*			trans	-69.1	108.6	164.2	43.8	0	0	0	0	108.9
660	T	29.9	Very low	28	Very low	118 Å²	118	138.6 Å²	138.6	72%	0.724	74%	0.744	S	S	*	*			trans	-142.8	118.7	158	43	0	0	0	0	110.3	L658	L658-T660 PolarHBondContact O-N 3.28Å
661	N	23.3	Very low	27.6	Very low	147 Å²	147	141.2 Å²	141.2	79%	0.786	77%	0.765	S	S	*	*			trans	-53.1	135.2	-178.9	-68.8	-51	0	0	0	114.5
662	Y	30	Very low	27.7	Very low	237 Å²	237	146.2 Å²	146.2	93%	0.929	78%	0.779	S	S	*	*			trans	-134.6	111.9	141.5	-84.1	-80	0	0	0	109.4
663	K	23.4	Very low	27.7	Very low	175 Å²	175	144.2 Å²	144.2	76%	0.761	78%	0.776	S	S	*	*			trans	-79.8	169.5	172.8	-92.4	176.7	171.8	176.9	0	110.8
664	Y	29	Very low	28.1	Very low	217 Å²	217	149 Å²	149	85%	0.851	79%	0.793	S	S	*	*			trans	93.2	114.9	176.3	-59.6	-76.7	0	0	0	112.6
665	F	29.8	Very low	28.1	Very low	197 Å²	197	152.9 Å²	152.9	86%	0.864	80%	0.803	S	S	*	*			cis	-143.9	140.8	34.6	-110.6	-98	0	0	0	112.2
666	N	25.3	Very low	28.5	Very low	141 Å²	141	151.9 Å²	151.9	75%	0.754	80%	0.799	S	S	*	*			trans	-76.8	146.5	171.8	-83.8	-16.1	0	0	0	111.6
667	N	30.7	Very low	28.7	Very low	142 Å²	142	153.4 Å²	153.4	76%	0.759	80%	0.799	S	S	*	*				-170.9	117.5	113.7	-92.5	-14.1	0	0	0	112.5
668	N	28.1	Very low	29.2	Very low	141 Å²	141	155 Å²	155	75%	0.754	80%	0.798	S	S	*	*			trans	49.3	107.1	140.8	-56.9	-13.7	0	0	0	119.5
669	I	33.2	Very low	29.3	Very low	173 Å²	173	154.6 Å²	154.6	89%	0.887	80%	0.795	S	S	*	*				-152.5	145.6	122.9	-88.4	140.6	0	0	0	107.7
670	S	32.8	Very low	29.8	Very low	112 Å²	112	156.5 Å²	156.5	78%	0.783	79%	0.794	S	S	*	*			trans	-58.8	152.4	-159.8	41.5	0	0	0	0	119.3
671	N	24.9	Very low	29.9	Very low	156 Å²	156	155.7 Å²	155.7	83%	0.834	79%	0.793	S	S	*	*			trans	-59.4	151.9	173.8	-65	-35.6	0	0	0	115.6
672	E	33.1	Very low	30.5	Very low	183 Å²	183	154 Å²	154	86%	0.855	79%	0.79	S	S	*	*			trans	-175.8	89	130.4	-100.3	175.9	-169.4	0	0	107.4
673	S	28.2	Very low	30.6	Very low	97 Å²	97	147.4 Å²	147.4	68%	0.678	78%	0.779	S	S	*	*				55.9	100.8	93.1	69.7	0	0	0	0	115.9
674	I	33.7	Very low	31	Very low	179 Å²	179	145.5 Å²	145.5	92%	0.918	78%	0.777	S	S	*	*				-140.9	131	128.9	-62.6	-169.9	0	0	0	108.2
675	Q	28	Very low	31.1	Very low	161 Å²	161	143.4 Å²	143.4	75%	0.752	77%	0.769	S	S	*	*			trans	-105.8	174.2	-163.1	-159.5	169	-20.9	0	0	110.1
676	S	33.8	Very low	31.3	Very low	106 Å²	106	142.3 Å²	142.3	74%	0.741	77%	0.771	S	S	*	*			trans	99.5	135.8	166.5	80.1	0	0	0	0	116.9
677	D	32.3	Very low	31.7	Very low	129 Å²	129	143.2 Å²	143.2	69%	0.69	77%	0.77	S	S	*	*			cis	-177.2	158.2	-27.2	-112.5	-29.6	0	0	0	107.8
678	I	34.3	Very low	31.9	Very low	144 Å²	144	143.5 Å²	143.5	74%	0.738	76%	0.762	S	S	*	*			trans	83.9	89.3	155.8	-56	145.2	0	0	0	119.7
679	I	29.2	Very low	32.5	Very low	150 Å²	150	141.7 Å²	141.7	77%	0.769	75%	0.752	S	S	*	*				22.7	116.4	113.8	-53.9	167	0	0	0	118.4
680	H	32.8	Very low	32.9	Very low	182 Å²	182	141.7 Å²	141.7	84%	0.843	75%	0.746	S	S	*	*				-157.4	139.1	127.7	-107	-67.8	0	0	0	111.4
681	S	31.8	Very low	33.2	Very low	101 Å²	101	145.4 Å²	145.4	71%	0.706	74%	0.743	S	S	*	*			trans	-68.3	167.8	-170.7	49.5	0	0	0	0	116.1
682	P	35.7	Very low	33.8	Very low	111 Å²	111	144.4 Å²	144.4	72%	0.721	73%	0.731	S	S	*	*			trans	-103.3	134	-149.9	37	-29.8	0	0	0	114.9
683	S	32.9	Very low	34.5	Very low	99 Å²	99	140.1 Å²	140.1	69%	0.692	72%	0.717	S	S	*	*			trans	-170.2	139.4	153.9	54	0	0	0	0	107.7
684	N	31.6	Very low	35.2	Very low	134 Å²	134	144.2 Å²	144.2	72%	0.717	72%	0.719	S	S	*	*			trans	93.8	26.5	176.9	-59.4	-19.4	0	0	0	120.3	L686	N684-L686 VanDerWaalsContact C-N 3.29Å; N684-L686 PolarHBondContact O-N 3.5Å
685	Y	31.6	Very low	35.6	Very low	174 Å²	174	142.4 Å²	142.4	68%	0.682	70%	0.704	S	S	*	*	H	α-helix	trans	-75.7	-3.8	174.5	-83.6	-83.3	0	0	0	116.1
686	L	32.9	Very low	36.4	Very low	173 Å²	173	138.8 Å²	138.8	91%	0.906	69%	0.693	S	S	*	*	H	α-helix	trans	-83.4	-15.8	178.5	-137.6	86.1	0	0	0	114.6	N684	N684-L686 VanDerWaalsContact C-N 3.29Å; N684-L686 PolarHBondContact O-N 3.5Å
687	Q	34.8	Very low	36.8	Very low	161 Å²	161	139.9 Å²	139.9	75%	0.752	69%	0.688	S	S	*	*	H	α-helix	trans	-105.1	-17.9	-175.9	-153.5	156	-7	0	0	113.3
688	Y	34.9	Very low	37.4	Very low	147 Å²	147	137.7 Å²	137.7	58%	0.576	68%	0.683	S	S	*	*	H	α-helix	trans	-77.7	-28.8	-178	-165.9	-109.2	0	0	0	113.6	K692	Y688-K692 PolarHBondContact O-N 3.42Å
689	N	40.5	Very low	37.9	Very low	104 Å²	104	140.6 Å²	140.6	56%	0.556	69%	0.685	S	S	*	*	H	α-helix	trans	-75.4	-23.2	177	-77.5	-17.3	0	0	0	113.4	V693	N689-V693 VanDerWaalsContact O-CG2 3.25Å; N689-V693 WeakPolarHBondContact O-CG2 3.49Å; N689-V693 PolarHBondContact O-N 3.5Å
690	K	40.4	Very low	38.9	Very low	173 Å²	173	138.6 Å²	138.6	75%	0.752	68%	0.675	S	S	*	*	H	α-helix	trans	-70.9	-33.5	175.8	-136	174.8	-174.5	177.9	0	111.9	Y694	K690-Y694 PolarHBondContact O-N 2.96Å
691	W	39.1	Very low	39.5	Very low	190 Å²	190	136.4 Å²	136.4	72%	0.72	67%	0.665	S	S	*	*	H	α-helix	trans	-82.7	-30.9	-179.3	-146.7	54.9	0	0	0	113.1	Y694 K695	W691-Y694 PolarHBondContact O-N 3.39Å; W691-K695 WeakPolarHBondContact O-CB 3.34Å; W691-K695 PolarHBondContact O-N 3.29Å
692	K	38.2	Very low	40.6	Very low	134 Å²	134	140.4 Å²	140.4	58%	0.583	67%	0.673	S	S	*	*	H	α-helix	trans	-71.1	-37.3	172.8	-150.6	173.8	-175	-179.3	0	111.6	Y688 K695 T696	Y688-K692 PolarHBondContact O-N 3.42Å; K692-K695 PolarHBondContact O-N 3.48Å; K692-T696 PolarHBondContact O-N 2.89Å; K692-T696 PolarHBondContact O-OG1 3.26Å
693	V	47.8	Very low	41.5	Very low	94 Å²	94	143.5 Å²	143.5	57%	0.57	68%	0.678	S	S	*	*	H	α-helix	trans	-65.1	-38.1	172.6	172.6	0	0	0	0	111.9	N689 T696 M697	N689-V693 VanDerWaalsContact O-CG2 3.25Å; N689-V693 WeakPolarHBondContact O-CG2 3.49Å; N689-V693 PolarHBondContact O-N 3.5Å; V693-T696 PolarHBondContact O-N 3.05Å; V693-M697 WeakPolarHBondContact O-CB 3.45Å; V693-M697 PolarHBondContact O-N 3.22Å
694	Y	43.5	Very low	42.8	Very low	183 Å²	183	141.6 Å²	141.6	72%	0.718	66%	0.662	S	S	*	*	H	α-helix	trans	-66.2	-37	173.7	-128.7	-92.7	0	0	0	112.6	K690 W691 M697 S698	K690-Y694 PolarHBondContact O-N 2.96Å; W691-Y694 PolarHBondContact O-N 3.39Å; Y694-M697 PolarHBondContact O-N 3.44Å; Y694-S698 PolarHBondContact O-N 2.72Å
695	K	41.4	Very low	44.8	Very low	140 Å²	140	140.3 Å²	140.3	61%	0.609	66%	0.655	S	S	*	*	H	α-helix	trans	-76.1	-26.8	178	-152.2	169.2	-173	174.3	0	113.1	W691 K692	W691-K695 WeakPolarHBondContact O-CB 3.34Å; W691-K695 PolarHBondContact O-N 3.29Å; K692-K695 PolarHBondContact O-N 3.48Å
696	T	44.2	Very low	47.1	Very low	85 Å²	85	137.4 Å²	137.4	52%	0.521	65%	0.65	S	S	.	*	H	α-helix	trans	-78.9	-33.5	171	-38.7	0	0	0	0	111.9	K692 V693 S698 R699 L700	K692-T696 PolarHBondContact O-N 2.89Å; K692-T696 PolarHBondContact O-OG1 3.26Å; V693-T696 PolarHBondContact O-N 3.05Å; T696-S698 VanDerWaalsContact C-N 3.31Å; T696-R699 PolarHBondContact O-N 3.06Å; T696-L700 PolarHBondContact O-N 2.79Å
697	M	43.2	Very low	49.4	Very low	129 Å²	129	138.4 Å²	138.4	64%	0.635	64%	0.642	S	S	*	*	H	α-helix	trans	-65.5	-32.8	168.5	-91.1	-168.6	79.7	0	0	112.4	V693 Y694 R699 L700	V693-M697 WeakPolarHBondContact O-CB 3.45Å; V693-M697 PolarHBondContact O-N 3.22Å; Y694-M697 PolarHBondContact O-N 3.44Å; M697-R699 PolarHBondContact O-N 2.99Å; M697-L700 PolarHBondContact O-N 3.1Å
698	S	44.5	Very low	51.6	Low	83 Å²	83	135.3 Å²	135.3	58%	0.58	63%	0.63	S	S	*	*	H	α-helix	trans	-66.5	-20.8	175	-176.2	0	0	0	0	113.8	Y694 T696	Y694-S698 PolarHBondContact O-N 2.72Å; T696-S698 VanDerWaalsContact C-N 3.31Å
699	R	45.2	Very low	53.8	Low	206 Å²	206	132.5 Å²	132.5	78%	0.777	62%	0.624	S	S	*	*	H	α-helix	trans	-88.8	-17.9	173.9	-75.8	-172.9	-179.4	168.3	-1	113.7	T696 M697 H701	T696-R699 PolarHBondContact O-N 3.06Å; M697-R699 PolarHBondContact O-N 2.99Å; R699-H701 PolarHBondContact O-N 3.37Å
700	L	49.2	Very low	56.1	Low	107 Å²	107	132 Å²	132	56%	0.56	62%	0.62	S	S	*	*	H	α-helix	trans	-73.1	-13.5	170	-95.7	146	0	0	0	112.5	T696 M697 E702	T696-L700 PolarHBondContact O-N 2.79Å; M697-L700 PolarHBondContact O-N 3.1Å; L700-E702 VanDerWaalsContact C-N 3.3Å; L700-E702 PolarHBondContact O-N 3.09Å
701	H	47.1	Very low	58.4	Low	137 Å²	137	126.3 Å²	126.3	63%	0.634	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	-12.5	-179.3	-141	9.8	0	0	0	114.2	R699	R699-H701 PolarHBondContact O-N 3.37Å
702	E	53.9	Low	60.7	Low	185 Å²	185	122.4 Å²	122.4	86%	0.864	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	-3	176.9	-74.4	-166.4	157.5	0	0	114.6	L700	L700-E702 VanDerWaalsContact C-N 3.3Å; L700-E702 PolarHBondContact O-N 3.09Å
703	Q	54.2	Low	63.2	Low	176 Å²	176	119.2 Å²	119.2	82%	0.822	59%	0.594	S	S	*	*	S	Bend	trans	-117.9	3	-179.8	-75.1	-174.4	-22.1	0	0	114.8
704	V	60	Low	65.3	Low	59 Å²	59	117.6 Å²	117.6	36%	0.358	59%	0.587	S	S	.	*	S	Bend	trans	-102.8	113.1	176.5	-174.8	0	0	0	0	109.4	I706 L709	V704-I706 PolarHBondContact O-N 2.96Å; V704-L709 HydrophobicContact CG1-CD1 3.57Å; V704-L709 HydrophobicContact CG1-CD2 4.3Å; V704-L709 HydrophobicContact CG1-CG 3.7Å
705	N	74.8	Confident	67.5	Low	107 Å²	107	111.3 Å²	111.3	57%	0.572	57%	0.573	S	S	*	*			trans	-60.2	108.1	176.4	-165.8	-9.6	0	0	0	109.1	W707 L708 L709	N705-W707 PolarHBondContact O-N 3.49Å; N705-L708 HydrophobicContact CB-CB 4.27Å; N705-L708 WeakPolarHBondContact O-CA 3.25Å; N705-L708 VanDerWaalsContact O-CB 3.28Å; N705-L708 WeakPolarHBondContact O-CB 3.18Å; N705-L708 PolarHBondContact O-N 3.05Å; N705-L709 PolarHBondContact O-N 3.48Å
706	I	78.7	Confident	70	Confident	112 Å²	112	106.2 Å²	106.2	57%	0.574	56%	0.559	S	S	*	*	H	α-helix	trans	-50.4	-35.6	-178.9	-78.1	164.8	0	0	0	111.3	V704 L708 L709 I710	V704-I706 PolarHBondContact O-N 2.96Å; I706-L708 VanDerWaalsContact C-N 3.32Å; I706-L708 PolarHBondContact O-N 2.91Å; I706-L709 PolarHBondContact O-N 2.93Å; I706-I710 HydrophobicContact CG2-CD1 3.71Å; I706-I710 HydrophobicContact CG2-CG1 4.37Å; I706-I710 WeakPolarHBondContact O-CG1 3.44Å; I706-I710 PolarHBondContact O-N 2.86Å
707	W	81.2	Confident	72.4	Confident	195 Å²	195	107.6 Å²	107.6	74%	0.739	56%	0.563	S	S	*	*	H	α-helix	trans	-62.6	-34.7	175.9	-76.7	102.4	0	0	0	113.8	N705 S711	N705-W707 PolarHBondContact O-N 3.49Å; W707-S711 WeakPolarHBondContact O-CB 3.37Å; W707-S711 PolarHBondContact O-N 2.99Å
708	L	81.5	Confident	74.7	Confident	96 Å²	96	106.5 Å²	106.5	50%	0.503	56%	0.559	S	S	.	*	H	α-helix	trans	-66.2	-44.3	175.8	-174.4	72.9	0	0	0	110.6	N705 I706 S711 L712	N705-L708 HydrophobicContact CB-CB 4.27Å; N705-L708 WeakPolarHBondContact O-CA 3.25Å; N705-L708 VanDerWaalsContact O-CB 3.28Å; N705-L708 WeakPolarHBondContact O-CB 3.18Å; N705-L708 PolarHBondContact O-N 3.05Å; I706-L708 VanDerWaalsContact C-N 3.32Å; I706-L708 PolarHBondContact O-N 2.91Å; L708-S711 PolarHBondContact O-N 2.93Å; L708-S711 PolarHBondContact O-OG 3.36Å; L708-L712 HydrophobicContact CG-CD1 4.13Å; L708-L712 WeakPolarHBondContact O-CG 3.26Å; L708-L712 PolarHBondContact O-N 2.92Å
709	L	82.4	Confident	77	Confident	87 Å²	87	107.9 Å²	107.9	46%	0.455	56%	0.557	S	S	.	*	H	α-helix	trans	-63.5	-42.8	177.5	-74.2	173	0	0	0	111.9	V704 N705 I706 S711 L712 A713	V704-L709 HydrophobicContact CG1-CD1 3.57Å; V704-L709 HydrophobicContact CG1-CD2 4.3Å; V704-L709 HydrophobicContact CG1-CG 3.7Å; N705-L709 PolarHBondContact O-N 3.48Å; I706-L709 PolarHBondContact O-N 2.93Å; L709-S711 VanDerWaalsContact C-N 3.31Å; L709-S711 PolarHBondContact O-N 2.8Å; L709-L712 PolarHBondContact O-N 3.32Å; L709-A713 WeakPolarHBondContact O-CB 3.49Å; L709-A713 PolarHBondContact O-N 3.2Å
710	I	87.6	Confident	79.3	Confident	94 Å²	94	103.2 Å²	103.2	48%	0.482	55%	0.547	S	S	.	.	H	α-helix	trans	-61.6	-42.6	175	-66.3	168.5	0	0	0	110.3	I706 A713 S714	I706-I710 HydrophobicContact CG2-CD1 3.71Å; I706-I710 HydrophobicContact CG2-CG1 4.37Å; I706-I710 WeakPolarHBondContact O-CG1 3.44Å; I706-I710 PolarHBondContact O-N 2.86Å; I710-A713 PolarHBondContact O-N 2.98Å; I710-S714 WeakPolarHBondContact O-CB 3.38Å; I710-S714 PolarHBondContact O-N 3.16Å; I710-S714 PolarHBondContact O-OG 3.45Å
711	S	88	Confident	81.4	Confident	54 Å²	54	102.9 Å²	102.9	38%	0.378	54%	0.544	S	S	.	.	H	α-helix	trans	-64.1	-43.3	178.5	77.3	0	0	0	0	112.3	W707 L708 L709 S714 A715	W707-S711 WeakPolarHBondContact O-CB 3.37Å; W707-S711 PolarHBondContact O-N 2.99Å; L708-S711 PolarHBondContact O-N 2.93Å; L708-S711 PolarHBondContact O-OG 3.36Å; L709-S711 VanDerWaalsContact C-N 3.31Å; L709-S711 PolarHBondContact O-N 2.8Å; S711-S714 PolarHBondContact O-N 2.68Å; S711-S714 PolarHBondContact O-OG 3.41Å; S711-A715 WeakPolarHBondContact O-CB 3.39Å; S711-A715 PolarHBondContact O-N 3.17Å
712	L	89.4	Confident	83.5	Confident	108 Å²	108	99.4 Å²	99.4	57%	0.565	54%	0.535	S	S	*	.	H	α-helix	trans	-67.8	-39.6	178	-72.4	170.5	0	0	0	111.8	L708 L709 A715 G716	L708-L712 HydrophobicContact CG-CD1 4.13Å; L708-L712 WeakPolarHBondContact O-CG 3.26Å; L708-L712 PolarHBondContact O-N 2.92Å; L709-L712 PolarHBondContact O-N 3.32Å; L712-A715 PolarHBondContact O-N 3.48Å; L712-G716 PolarHBondContact O-N 2.99Å
713	A	90.6	Very high	85.2	Confident	66 Å²	66	95.5 Å²	95.5	55%	0.545	52%	0.52	S	S	.	.	H	α-helix	trans	-63.3	-42.5	174.4	0	0	0	0	0	111.4	L709 I710 G716 L717	L709-A713 WeakPolarHBondContact O-CB 3.49Å; L709-A713 PolarHBondContact O-N 3.2Å; I710-A713 PolarHBondContact O-N 2.98Å; A713-G716 PolarHBondContact O-N 3.39Å; A713-L717 PolarHBondContact O-N 3.34Å
714	S	90.3	Very high	86.9	Confident	61 Å²	61	91.1 Å²	91.1	43%	0.427	51%	0.505	S	S	.	.	H	α-helix	trans	-65.5	-41	176.8	71.7	0	0	0	0	112.6	I710 S711 L717 I718	I710-S714 WeakPolarHBondContact O-CB 3.38Å; I710-S714 PolarHBondContact O-N 3.16Å; I710-S714 PolarHBondContact O-OG 3.45Å; S711-S714 PolarHBondContact O-N 2.68Å; S711-S714 PolarHBondContact O-OG 3.41Å; S714-L717 PolarHBondContact O-N 3.06Å; S714-I718 VanDerWaalsContact O-CG1 3.3Å; S714-I718 WeakPolarHBondContact O-CG1 3.28Å; S714-I718 PolarHBondContact O-N 3.48Å
715	A	91.4	Very high	88.4	Confident	51 Å²	51	94.6 Å²	94.6	42%	0.421	52%	0.516	S	S	.	.	H	α-helix	trans	-65.6	-40.9	175.6	0	0	0	0	0	111.9	S711 L712 L717 I718 M719	S711-A715 WeakPolarHBondContact O-CB 3.39Å; S711-A715 PolarHBondContact O-N 3.17Å; L712-A715 PolarHBondContact O-N 3.48Å; A715-L717 VanDerWaalsContact C-N 3.35Å; A715-L717 PolarHBondContact O-N 2.93Å; A715-I718 PolarHBondContact O-N 3.15Å; A715-M719 WeakPolarHBondContact O-CG 3.49Å; A715-M719 PolarHBondContact O-N 2.88Å
716	G	92.5	Very high	89.1	Confident	32 Å²	32	94.2 Å²	94.2	33%	0.33	51%	0.513	S	S	.	.	H	α-helix	trans	-60.6	-42.4	173.7	0	0	0	0	0	112.4	L712 A713 M719 I720	L712-G716 PolarHBondContact O-N 2.99Å; A713-G716 PolarHBondContact O-N 3.39Å; G716-M719 PolarHBondContact O-N 3.45Å; G716-I720 WeakPolarHBondContact O-CG1 3.22Å; G716-I720 PolarHBondContact O-N 3.29Å
717	L	94.1	Very high	89.5	Confident	114 Å²	114	91.8 Å²	91.8	60%	0.597	51%	0.51	S	S	*	.	H	α-helix	trans	-64.8	-42.7	177.6	-155.2	107.1	0	0	0	111.9	A713 S714 A715 M719 I720 I721	A713-L717 PolarHBondContact O-N 3.34Å; S714-L717 PolarHBondContact O-N 3.06Å; A715-L717 VanDerWaalsContact C-N 3.35Å; A715-L717 PolarHBondContact O-N 2.93Å; L717-M719 VanDerWaalsContact C-N 3.34Å; L717-M719 PolarHBondContact O-N 2.89Å; L717-I720 PolarHBondContact O-N 2.7Å; L717-I721 HydrophobicContact CD2-CD1 3.82Å; L717-I721 HydrophobicContact CG-CD1 4.29Å; L717-I721 VanDerWaalsContact O-CG1 3.28Å; L717-I721 WeakPolarHBondContact O-CG1 3.07Å; L717-I721 PolarHBondContact O-N 3.15Å
718	I	92.8	Very high	89.8	Confident	107 Å²	107	89.2 Å²	89.2	55%	0.549	50%	0.501	S	S	.	.	H	α-helix	trans	-63.3	-40.4	176.6	-67.1	165.2	0	0	0	111.1	S714 A715 I721 S722	S714-I718 VanDerWaalsContact O-CG1 3.3Å; S714-I718 WeakPolarHBondContact O-CG1 3.28Å; S714-I718 PolarHBondContact O-N 3.48Å; A715-I718 PolarHBondContact O-N 3.15Å; I718-I721 PolarHBondContact O-N 3.48Å; I718-S722 WeakPolarHBondContact O-CB 3.35Å; I718-S722 PolarHBondContact O-N 3.09Å; I718-S722 PolarHBondContact O-OG 2.98Å
719	M	92.8	Very high	90	Very high	111 Å²	111	92.4 Å²	92.4	55%	0.547	51%	0.507	S	S	.	.	H	α-helix	trans	-64.2	-43.3	176	-79.7	-66.2	-67.4	0	0	112.1	A715 G716 L717 S722 L723	A715-M719 WeakPolarHBondContact O-CG 3.49Å; A715-M719 PolarHBondContact O-N 2.88Å; G716-M719 PolarHBondContact O-N 3.45Å; L717-M719 VanDerWaalsContact C-N 3.34Å; L717-M719 PolarHBondContact O-N 2.89Å; M719-S722 PolarHBondContact O-N 3.48Å; M719-L723 WeakPolarHBondContact O-CB 3.4Å; M719-L723 WeakPolarHBondContact O-CG 3.39Å; M719-L723 PolarHBondContact O-N 2.95Å
720	I	92.7	Very high	89.8	Confident	109 Å²	109	95.5 Å²	95.5	56%	0.559	52%	0.517	S	S	*	.	H	α-helix	trans	-64.7	-44	177	-68.5	167.1	0	0	0	110.9	G716 L717 S722 L723 T724	G716-I720 WeakPolarHBondContact O-CG1 3.22Å; G716-I720 PolarHBondContact O-N 3.29Å; L717-I720 PolarHBondContact O-N 2.7Å; I720-S722 VanDerWaalsContact C-N 3.3Å; I720-S722 PolarHBondContact O-N 3.21Å; I720-L723 PolarHBondContact O-N 3.12Å; I720-T724 HydrophobicContact CG2-CG2 4.35Å; I720-T724 WeakPolarHBondContact O-CB 2.92Å; I720-T724 VanDerWaalsContact O-CG2 3.29Å; I720-T724 WeakPolarHBondContact O-CG2 3.3Å; I720-T724 PolarHBondContact O-N 3.37Å; I720-T724 PolarHBondContact O-OG1 3Å
721	I	93.2	Very high	89.5	Confident	99 Å²	99	96.1 Å²	96.1	51%	0.508	52%	0.517	S	S	.	.	H	α-helix	trans	-61.9	-40.6	176.3	-67.4	167.1	0	0	0	110.6	L717 I718 T724 F725	L717-I721 HydrophobicContact CD2-CD1 3.82Å; L717-I721 HydrophobicContact CG-CD1 4.29Å; L717-I721 VanDerWaalsContact O-CG1 3.28Å; L717-I721 WeakPolarHBondContact O-CG1 3.07Å; L717-I721 PolarHBondContact O-N 3.15Å; I718-I721 PolarHBondContact O-N 3.48Å; I721-T724 WeakPolarHBondContact CA-OG1 3.24Å; I721-T724 PolarHBondContact O-OG1 2.7Å; I721-F725 WeakPolarHBondContact O-CB 3.31Å; I721-F725 PolarHBondContact O-N 3.41Å
722	S	90.7	Very high	89	Confident	64 Å²	64	101.1 Å²	101.1	45%	0.448	53%	0.528	S	S	.	.	H	α-helix	trans	-67	-42.7	178.7	-59.4	0	0	0	0	112.4	I718 M719 I720 F725 L726	I718-S722 WeakPolarHBondContact O-CB 3.35Å; I718-S722 PolarHBondContact O-N 3.09Å; I718-S722 PolarHBondContact O-OG 2.98Å; M719-S722 PolarHBondContact O-N 3.48Å; I720-S722 VanDerWaalsContact C-N 3.3Å; I720-S722 PolarHBondContact O-N 3.21Å; S722-F725 PolarHBondContact O-N 3.33Å; S722-L726 WeakPolarHBondContact O-CB 3.32Å; S722-L726 PolarHBondContact O-N 3.32Å
723	L	90.6	Very high	88.2	Confident	103 Å²	103	100.6 Å²	100.6	54%	0.539	53%	0.526	S	S	.	.	H	α-helix	trans	-67.3	-40.5	177.2	-76	167.2	0	0	0	112.2	M719 I720 L726 A727	M719-L723 WeakPolarHBondContact O-CB 3.4Å; M719-L723 WeakPolarHBondContact O-CG 3.39Å; M719-L723 PolarHBondContact O-N 2.95Å; I720-L723 PolarHBondContact O-N 3.12Å; L723-L726 PolarHBondContact O-N 3.3Å; L723-A727 WeakPolarHBondContact O-CB 3.45Å; L723-A727 PolarHBondContact O-N 2.94Å
724	T	90.8	Very high	87.1	Confident	84 Å²	84	105.3 Å²	105.3	52%	0.515	53%	0.534	S	S	.	.	H	α-helix	trans	-65.9	-39.4	175.7	53.4	0	0	0	0	111.8	I720 I721 A727 Y728	I720-T724 HydrophobicContact CG2-CG2 4.35Å; I720-T724 WeakPolarHBondContact O-CB 2.92Å; I720-T724 VanDerWaalsContact O-CG2 3.29Å; I720-T724 WeakPolarHBondContact O-CG2 3.3Å; I720-T724 PolarHBondContact O-N 3.37Å; I720-T724 PolarHBondContact O-OG1 3Å; I721-T724 WeakPolarHBondContact CA-OG1 3.24Å; I721-T724 PolarHBondContact O-OG1 2.7Å; T724-A727 PolarHBondContact O-N 3.04Å; T724-Y728 WeakPolarHBondContact O-CB 3.45Å; T724-Y728 PolarHBondContact O-N 2.66Å
725	F	90.8	Very high	85.6	Confident	133 Å²	133	110.3 Å²	110.3	58%	0.583	54%	0.543	S	S	*	.	H	α-helix	trans	-65.7	-40.7	173.8	-172.3	-98.4	0	0	0	112.3	I721 S722 Y728 R729	I721-F725 WeakPolarHBondContact O-CB 3.31Å; I721-F725 PolarHBondContact O-N 3.41Å; S722-F725 PolarHBondContact O-N 3.33Å; F725-Y728 PolarHBondContact O-N 3.11Å; F725-R729 WeakPolarHBondContact O-CB 3.44Å; F725-R729 PolarHBondContact O-N 3.38Å
726	L	88.6	Confident	83.9	Confident	98 Å²	98	111.7 Å²	111.7	51%	0.513	55%	0.546	S	S	.	.	H	α-helix	trans	-64.4	-44.3	176.1	-165	76.3	0	0	0	111.4	S722 L723 R729 F730	S722-L726 WeakPolarHBondContact O-CB 3.32Å; S722-L726 PolarHBondContact O-N 3.32Å; L723-L726 PolarHBondContact O-N 3.3Å; L726-R729 PolarHBondContact O-N 3.44Å; L726-F730 HydrophobicContact CG-CD2 4.32Å; L726-F730 PolarHBondContact O-N 3.36Å
727	A	87.1	Confident	81.9	Confident	62 Å²	62	115.5 Å²	115.5	51%	0.512	56%	0.559	S	S	.	*	H	α-helix	trans	-61.8	-42.8	174.8	0	0	0	0	0	111.7	L723 T724 R729 F730 H731	L723-A727 WeakPolarHBondContact O-CB 3.45Å; L723-A727 PolarHBondContact O-N 2.94Å; T724-A727 PolarHBondContact O-N 3.04Å; A727-R729 PolarHBondContact O-N 2.98Å; A727-F730 PolarHBondContact O-N 3.05Å; A727-H731 WeakPolarHBondContact O-CB 3.39Å; A727-H731 PolarHBondContact O-N 3.41Å
728	Y	89.1	Confident	79.7	Confident	141 Å²	141	112.5 Å²	112.5	55%	0.553	55%	0.548	S	S	*	.	H	α-helix	trans	-59.9	-44.2	173.8	174.6	-98.7	0	0	0	111.7	T724 F725 H731 R732	T724-Y728 WeakPolarHBondContact O-CB 3.45Å; T724-Y728 PolarHBondContact O-N 2.66Å; F725-Y728 PolarHBondContact O-N 3.11Å; Y728-H731 PolarHBondContact O-N 2.9Å; Y728-R732 WeakPolarHBondContact O-CB 3.4Å; Y728-R732 PolarHBondContact O-N 3.45Å
729	R	83.8	Confident	77.4	Confident	163 Å²	163	114.3 Å²	114.3	62%	0.615	55%	0.554	S	S	*	*	H	α-helix	trans	-67.3	-40	179.4	-155	-179.2	-179.1	-175.1	0.8	111.9	F725 L726 A727 R732 N733	F725-R729 WeakPolarHBondContact O-CB 3.44Å; F725-R729 PolarHBondContact O-N 3.38Å; L726-R729 PolarHBondContact O-N 3.44Å; A727-R729 PolarHBondContact O-N 2.98Å; R729-R732 PolarHBondContact O-N 3.21Å; R729-N733 PolarHBondContact O-N 3.16Å
730	F	79.8	Confident	74.9	Confident	152 Å²	152	114 Å²	114	67%	0.667	56%	0.562	S	S	*	*	H	α-helix	trans	-62.4	-43.7	172	-103.3	-80.4	0	0	0	111.9	L726 A727 R732 N733 K734	L726-F730 HydrophobicContact CG-CD2 4.32Å; L726-F730 PolarHBondContact O-N 3.36Å; A727-F730 PolarHBondContact O-N 3.05Å; F730-R732 VanDerWaalsContact C-N 3.34Å; F730-R732 PolarHBondContact O-N 2.92Å; F730-N733 PolarHBondContact O-N 3.01Å; F730-K734 WeakPolarHBondContact O-CB 3.28Å; F730-K734 PolarHBondContact O-N 3.19Å
731	H	80.2	Confident	72.4	Confident	107 Å²	107	112.4 Å²	112.4	50%	0.495	56%	0.56	S	S	.	*	H	α-helix	trans	-67.7	-35.2	178.2	-160.9	-55.5	0	0	0	112	A727 Y728 R735	A727-H731 WeakPolarHBondContact O-CB 3.39Å; A727-H731 PolarHBondContact O-N 3.41Å; Y728-H731 PolarHBondContact O-N 2.9Å; H731-R735 PolarHBondContact CE1-NE 2.89Å; H731-R735 PolarHBondContact O-N 3.37Å
732	R	78.6	Confident	69.8	Low	158 Å²	158	115.3 Å²	115.3	60%	0.596	57%	0.569	S	S	*	*	H	α-helix	trans	-68.4	-44.9	174.2	-169.4	177.9	172.8	-165.8	-2.8	111.4	Y728 R729 F730 K734 R735 V736	Y728-R732 WeakPolarHBondContact O-CB 3.4Å; Y728-R732 PolarHBondContact O-N 3.45Å; R729-R732 PolarHBondContact O-N 3.21Å; F730-R732 VanDerWaalsContact C-N 3.34Å; F730-R732 PolarHBondContact O-N 2.92Å; R732-K734 VanDerWaalsContact C-N 3.32Å; R732-K734 PolarHBondContact O-N 2.95Å; R732-R735 PolarHBondContact O-N 2.95Å; R732-R735 VanDerWaalsContact O-N 3.16Å; R732-V736 WeakPolarHBondContact O-CG2 3.42Å; R732-V736 PolarHBondContact O-N 2.94Å
733	N	72.5	Confident	67.2	Low	98 Å²	98	119.4 Å²	119.4	52%	0.524	59%	0.585	S	S	.	*	H	α-helix	trans	-63.4	-36.7	174.3	-99.9	14.3	0	0	0	112.2	R729 F730 V736 N737	R729-N733 PolarHBondContact O-N 3.16Å; F730-N733 PolarHBondContact O-N 3.01Å; N733-V736 PolarHBondContact O-N 3.49Å; N733-N737 WeakPolarHBondContact O-CB 3.49Å; N733-N737 PolarHBondContact O-N 2.94Å
734	K	67.6	Low	64.6	Low	164 Å²	164	120.2 Å²	120.2	71%	0.713	59%	0.594	S	S	*	*	H	α-helix	trans	-67.3	-35.2	174.2	-155.1	173.9	-174.9	178.4	0	111.8	F730 R732 S738	F730-K734 WeakPolarHBondContact O-CB 3.28Å; F730-K734 PolarHBondContact O-N 3.19Å; R732-K734 VanDerWaalsContact C-N 3.32Å; R732-K734 PolarHBondContact O-N 2.95Å; K734-S738 WeakPolarHBondContact O-CB 3.46Å; K734-S738 PolarHBondContact O-N 3.41Å; K734-S738 PolarHBondContact O-OG 3.13Å
735	R	57.1	Low	61.9	Low	166 Å²	166	125.5 Å²	125.5	63%	0.626	61%	0.61	S	S	*	*	H	α-helix	trans	-69.9	-42	172.8	-82.3	-171.4	-173.1	169.2	7.6	112.9	H731 R732 S738 H739	H731-R735 PolarHBondContact CE1-NE 2.89Å; H731-R735 PolarHBondContact O-N 3.37Å; R732-R735 PolarHBondContact O-N 2.95Å; R732-R735 VanDerWaalsContact O-N 3.16Å; R735-S738 WeakPolarHBondContact CA-OG 3.21Å; R735-S738 PolarHBondContact O-N 3.46Å; R735-S738 PolarHBondContact O-OG 2.73Å; R735-H739 PolarHBondContact O-N 3.23Å
736	V	56.5	Low	59.1	Low	80 Å²	80	124.9 Å²	124.9	49%	0.485	62%	0.617	S	S	.	*	H	α-helix	trans	-67.1	-41.9	177.5	175.8	0	0	0	0	110.9	R732 N733 S738 H739 C740	R732-V736 WeakPolarHBondContact O-CG2 3.42Å; R732-V736 PolarHBondContact O-N 2.94Å; N733-V736 PolarHBondContact O-N 3.49Å; V736-S738 VanDerWaalsContact C-N 3.35Å; V736-S738 PolarHBondContact O-N 2.66Å; V736-H739 PolarHBondContact O-N 3.11Å; V736-C740 PolarHBondContact O-N 2.83Å
737	N	51.1	Low	56.5	Low	112 Å²	112	129.1 Å²	129.1	60%	0.599	63%	0.634	S	S	*	*	H	α-helix	trans	-70.2	-29.3	174	-72.7	-5.1	0	0	0	112.8	N733 H739 S741	N733-N737 WeakPolarHBondContact O-CB 3.49Å; N733-N737 PolarHBondContact O-N 2.94Å; N737-H739 VanDerWaalsContact C-N 3.3Å; N737-S741 PolarHBondContact O-N 3.03Å; N737-S741 PolarHBondContact O-OG 3.36Å
738	S	46.5	Very low	53.9	Low	51 Å²	51	135 Å²	135	36%	0.357	65%	0.651	S	S	.	*	H	α-helix	trans	-75.4	-16.2	172.8	75.8	0	0	0	0	114.2	K734 R735 V736	K734-S738 WeakPolarHBondContact O-CB 3.46Å; K734-S738 PolarHBondContact O-N 3.41Å; K734-S738 PolarHBondContact O-OG 3.13Å; R735-S738 WeakPolarHBondContact CA-OG 3.21Å; R735-S738 PolarHBondContact O-N 3.46Å; R735-S738 PolarHBondContact O-OG 2.73Å; V736-S738 VanDerWaalsContact C-N 3.35Å; V736-S738 PolarHBondContact O-N 2.66Å
739	H	44.5	Very low	51.2	Low	145 Å²	145	136.6 Å²	136.6	67%	0.671	67%	0.668	S	S	*	*	H	α-helix	trans	-88.1	-25.7	174.8	-116.8	-54.5	0	0	0	112.5	R735 V736 N737	R735-H739 PolarHBondContact O-N 3.23Å; V736-H739 PolarHBondContact O-N 3.11Å; N737-H739 VanDerWaalsContact C-N 3.3Å
740	C	41	Very low	48.7	Very low	106 Å²	106	133.3 Å²	133.3	72%	0.716	67%	0.67	S	S	*	*	H	α-helix	trans	-82.5	-19.7	169.8	-95.6	0	0	0	0	114	V736	V736-C740 PolarHBondContact O-N 2.83Å
741	S	39.9	Very low	46.7	Very low	74 Å²	74	133.9 Å²	133.9	52%	0.517	67%	0.674	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.5	7.2	177.3	68.5	0	0	0	0	114.5	N737	N737-S741 PolarHBondContact O-N 3.03Å; N737-S741 PolarHBondContact O-OG 3.36Å
742	K	38.4	Very low	44.3	Very low	161 Å²	161	136.4 Å²	136.4	70%	0.7	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.4	1.9	178.3	-96	-176.9	175.5	-176.9	0	114.1
743	L	36.6	Very low	42.2	Very low	149 Å²	149	136.3 Å²	136.3	78%	0.78	70%	0.697	S	S	*	*	S	Bend	trans	-105	5.8	177.7	-112.5	85	0	0	0	114.6
744	T	36.7	Very low	40.2	Very low	121 Å²	121	138.5 Å²	138.5	74%	0.742	70%	0.703	S	S	*	*	S	Bend	trans	-125.2	20.9	-176.4	45.6	0	0	0	0	113.9
745	K	33.8	Very low	38.5	Very low	194 Å²	194	139.9 Å²	139.9	84%	0.843	71%	0.71	S	S	*	*	S	Bend	trans	-135.2	16.3	-179.5	-106.5	-178.9	179.8	-179	0	115.2
746	T	31.6	Very low	37.2	Very low	120 Å²	120	137 Å²	137	74%	0.736	72%	0.715	S	S	*	*			trans	-107.7	71.8	176.2	20.3	0	0	0	0	109.5
747	E	34.8	Very low	36.3	Very low	187 Å²	187	138.8 Å²	138.8	87%	0.874	73%	0.728	S	S	*	*	S	Bend	trans	-175.3	79.4	162.2	-110.7	174.8	-164.9	0	0	107.6
748	Q	31.4	Very low	35.4	Very low	186 Å²	186	140.1 Å²	140.1	87%	0.869	74%	0.741	S	S	*	*	S	Bend	trans	161.8	137	155.2	-91.8	173	0.1	0	0	107.8
749	I	32	Very low	34.5	Very low	175 Å²	175	142.8 Å²	142.8	90%	0.897	76%	0.76	S	S	*	*			trans	95.6	78.9	-179.1	-46.3	160.5	0	0	0	113.4
750	S	32.8	Very low	33.9	Very low	94 Å²	94	142.9 Å²	142.9	66%	0.657	77%	0.77	S	S	*	*			trans	-116.5	139.6	153.7	50.2	0	0	0	0	108.7
751	H	36.8	Very low	33.2	Very low	163 Å²	163	142.8 Å²	142.8	76%	0.755	77%	0.766	S	S	*	*			trans	81	125.9	175.4	-47.7	-74.9	0	0	0	115.2
752	L	31	Very low	32.6	Very low	160 Å²	160	148.8 Å²	148.8	84%	0.838	78%	0.779	S	S	*	*			cis	-160.8	152.5	8.9	-151.5	78.5	0	0	0	109.5
753	H	33.2	Very low	32.2	Very low	157 Å²	157	151.3 Å²	151.3	73%	0.727	78%	0.784	S	S	*	*			trans	-79.4	158.8	-174	-102.9	-98.5	0	0	0	115.5
754	Q	30.5	Very low	31.8	Very low	143 Å²	143	150.6 Å²	150.6	67%	0.668	79%	0.786	S	S	*	*			trans	66.1	123.2	141.1	-78	163.1	-40.6	0	0	120.4
755	F	32.3	Very low	31.4	Very low	193 Å²	193	149.2 Å²	149.2	85%	0.846	79%	0.787	S	S	*	*				-176.9	160.2	94.4	-98.2	-77.9	0	0	0	111.6
756	S	30.6	Very low	31.1	Very low	106 Å²	106	145.1 Å²	145.1	74%	0.741	78%	0.783	S	S	*	*			trans	-83.6	177.3	-158.1	48.3	0	0	0	0	116.8
757	P	36.2	Very low	31	Very low	117 Å²	117	146.7 Å²	146.7	76%	0.76	79%	0.792	S	S	*	*			trans	-101.8	153.9	-157.3	38.4	-31.1	0	0	0	115.1
758	T	32.8	Very low	30.7	Very low	141 Å²	141	140.9 Å²	140.9	87%	0.865	78%	0.782	S	S	*	*			trans	-156.2	138.2	152.8	38.3	0	0	0	0	112.5
759	S	28.4	Very low	30.5	Very low	107 Å²	107	137.5 Å²	137.5	75%	0.748	78%	0.779	S	S	*	*			trans	-31.7	140.3	169.3	53	0	0	0	0	119.1
760	V	31.6	Very low	30.2	Very low	146 Å²	146	137.3 Å²	137.3	89%	0.885	78%	0.779	S	S	*	*			trans	-154.9	128.9	134.1	178.9	0	0	0	0	110.3
761	T	26.6	Very low	29.9	Very low	104 Å²	104	140.8 Å²	140.8	64%	0.638	79%	0.789	S	S	*	*			trans	-76.3	146.4	170.7	36.6	0	0	0	0	113.6
762	Y	27.3	Very low	29.5	Very low	201 Å²	201	137.7 Å²	137.7	79%	0.788	79%	0.786	S	S	*	*				160.4	136.6	116.4	-90	-68.3	0	0	0	114.8
763	R	29.2	Very low	29.5	Very low	214 Å²	214	137.8 Å²	137.8	81%	0.808	78%	0.784	S	S	*	*			trans	77.8	96.5	142.3	-73.6	178.2	-173.3	-156.4	0.8	122.6
764	T	27.5	Very low	29.2	Very low	133 Å²	133	138 Å²	138	82%	0.816	79%	0.79	S	S	*	*				33.8	116.5	114.9	58.5	0	0	0	0	121.5
765	A	29.3	Very low	29.1	Very low	93 Å²	93	138.6 Å²	138.6	77%	0.769	80%	0.798	S	S	*	*			trans	-172	103.4	131.6	0	0	0	0	0	108.1
766	S	28	Very low	29.1	Very low	107 Å²	107	136.2 Å²	136.2	75%	0.748	79%	0.793	S	S	*	*				81.2	123.9	100.9	77.4	0	0	0	0	115.9
767	V	28.1	Very low	28.9	Very low	154 Å²	154	141.4 Å²	141.4	93%	0.933	80%	0.796	S	S	*	*			trans	78.2	101.2	161.3	-158.8	0	0	0	0	116.5
768	G	28.9	Very low	28.7	Very low	65 Å²	65	145.1 Å²	145.1	67%	0.67	80%	0.796	S	S	*	*			trans	-176.3	105.7	171.3	0	0	0	0	0	111.4
769	S	27	Very low	28.4	Very low	114 Å²	114	143.8 Å²	143.8	80%	0.797	79%	0.788	S	S	*	*			trans	-27.8	127.4	167.7	48.6	0	0	0	0	115.6
770	L	26.7	Very low	28.5	Very low	172 Å²	172	145.3 Å²	145.3	90%	0.901	79%	0.786	S	S	*	*			trans	-105.8	90.6	163.9	-131.7	111.5	0	0	0	109.3
771	L	25.4	Very low	28.6	Very low	166 Å²	166	144.8 Å²	144.8	87%	0.869	78%	0.776	S	S	*	*			trans	-94.3	126.6	154.7	-81.2	159.4	0	0	0	106.8
772	S	29.2	Very low	28.6	Very low	99 Å²	99	144.4 Å²	144.4	69%	0.692	78%	0.778	S	S	*	*			trans	-169.8	128.2	170.9	170.3	0	0	0	0	107.9
773	M	29.8	Very low	28.5	Very low	162 Å²	162	144 Å²	144	80%	0.798	78%	0.78	S	S	*	*			cis	-157.7	97.2	-4.8	-118.9	165.8	74.9	0	0	105.2
774	D	27.5	Very low	28.5	Very low	160 Å²	160	144.9 Å²	144.9	86%	0.856	78%	0.783	S	S	*	*			trans	-96.1	146.4	161	-80.9	-37	0	0	0	108.1
775	D	28.4	Very low	28.7	Very low	156 Å²	156	145.3 Å²	145.3	83%	0.834	78%	0.78	S	S	*	*			trans	71.1	101	170.8	-68.1	-25	0	0	0	120
776	I	31.9	Very low	28.6	Very low	144 Å²	144	150.3 Å²	150.3	74%	0.738	78%	0.784	S	S	*	*			trans	-119.9	101.1	142.8	-64.2	179.6	0	0	0	108.9	Y778	I776-Y778 HydrophobicContact CG2-CD2 4.01Å; I776-Y778 HydrophobicContact CG2-CE2 4.38Å
777	R	27.2	Very low	28.7	Very low	214 Å²	214	153.2 Å²	153.2	81%	0.808	79%	0.786	S	S	*	*			trans	-89	121.9	168.9	-165.4	-179.5	-165.5	178.7	3.2	107.5
778	Y	31.5	Very low	28.8	Very low	195 Å²	195	153 Å²	153	77%	0.765	78%	0.779	S	S	*	*			trans	-111.6	97	161	-104.1	-83	0	0	0	109.5	I776 M780	I776-Y778 HydrophobicContact CG2-CD2 4.01Å; I776-Y778 HydrophobicContact CG2-CE2 4.38Å; Y778-M780 HydrophobicContact CE1-CE 4.37Å
779	T	26	Very low	28.6	Very low	113 Å²	113	158.2 Å²	158.2	69%	0.693	79%	0.787	S	S	*	*			trans	-106.7	120.5	153.7	40.8	0	0	0	0	107
780	M	32.5	Very low	28.7	Very low	140 Å²	140	161 Å²	161	69%	0.69	79%	0.787	S	S	*	*			trans	-136.2	115.8	159.1	-88.5	-163.8	-163.9	0	0	111	Y778	Y778-M780 HydrophobicContact CE1-CE 4.37Å
781	I	31.7	Very low	28.8	Very low	135 Å²	135	161.8 Å²	161.8	69%	0.692	79%	0.786	S	S	*	*			trans	69.8	89.2	130.2	-53.9	168	0	0	0	114.9
782	S	27.5	Very low	28.8	Very low	95 Å²	95	161.4 Å²	161.4	66%	0.664	78%	0.784	S	S	*	*				68.8	122.5	81.5	87.8	0	0	0	0	116.3
783	K	26.1	Very low	28.6	Very low	194 Å²	194	160.9 Å²	160.9	84%	0.843	78%	0.78	S	S	*	*			trans	60.1	107.7	148.7	-68.5	178.2	175.3	176.7	0	118.1
784	R	28.9	Very low	28.4	Very low	232 Å²	232	158 Å²	158	88%	0.875	78%	0.777	S	S	*	*				177	131.2	112.6	-100.9	172.1	178.1	171.7	-0.2	113.4
785	L	30.5	Very low	28.5	Very low	141 Å²	141	156.3 Å²	156.3	74%	0.738	77%	0.772	S	S	*	*			trans	67.4	115.8	145.7	-59.3	157.9	0	0	0	116.1
786	K	28.6	Very low	28.4	Very low	198 Å²	198	153.1 Å²	153.1	86%	0.861	76%	0.762	S	S	*	*			cis	41.7	81.4	35.2	-96.4	-165	-177.9	-174.7	0	113.3
787	Q	28.9	Very low	28.3	Very low	168 Å²	168	153.2 Å²	153.2	79%	0.785	76%	0.764	S	S	*	*			trans	179	143.1	130.1	-104.4	169.1	-22.9	0	0	111.5
788	N	30.1	Very low	28.6	Very low	149 Å²	149	148.8 Å²	148.8	80%	0.797	76%	0.756	S	S	*	*			trans	95.2	76.6	158.7	-55.3	-7.9	0	0	0	118.2
789	Q	26	Very low	28.7	Very low	176 Å²	176	147.2 Å²	147.2	82%	0.822	76%	0.755	S	S	*	*				-42.9	155.7	125.2	-109.2	166.8	-40.1	0	0	112.9
790	E	28.2	Very low	29	Very low	172 Å²	172	145.8 Å²	145.8	80%	0.804	75%	0.75	S	S	*	*			trans	79.3	102.7	160.8	-65	169.9	-169	0	0	118.6
791	Q	30.1	Very low	29.1	Very low	188 Å²	188	147.5 Å²	147.5	88%	0.879	76%	0.756	S	S	*	*				177.3	105.7	120.1	-94.7	179.7	1.4	0	0	108.5
792	L	25.2	Very low	29.3	Very low	158 Å²	158	145.2 Å²	145.2	83%	0.827	75%	0.752	S	S	*	*				67.5	105.2	87.1	-135.3	85.4	0	0	0	113.7
793	S	24.4	Very low	29.5	Very low	88 Å²	88	148 Å²	148	62%	0.615	76%	0.758	S	S	*	*			trans	53.2	125.8	136.9	62	0	0	0	0	121.8
794	S	25.6	Very low	29.8	Very low	103 Å²	103	144.7 Å²	144.7	72%	0.72	76%	0.758	S	S	*	*				89.8	142	128.6	75.2	0	0	0	0	120.6
795	V	28.6	Very low	29.8	Very low	124 Å²	124	141.4 Å²	141.4	75%	0.752	76%	0.758	S	S	*	*			trans	78.2	92.1	157.2	-167.7	0	0	0	0	114.8
796	S	27	Very low	29.9	Very low	89 Å²	89	144.1 Å²	144.1	62%	0.622	77%	0.766	S	S	*	*				73.3	125.1	80.8	71.7	0	0	0	0	115.6
797	D	30.2	Very low	30.2	Very low	146 Å²	146	139.3 Å²	139.3	78%	0.781	76%	0.764	S	S	*	*			trans	63.2	139.8	155.7	-53.4	-25.3	0	0	0	117.1
798	D	33.4	Very low	30.4	Very low	121 Å²	121	136.8 Å²	136.8	65%	0.647	77%	0.765	S	S	*	*			cis	-167.1	151.9	39.7	-131.9	-20.8	0	0	0	111.4
799	Q	34	Very low	30.2	Very low	161 Å²	161	137.8 Å²	137.8	75%	0.752	77%	0.768	S	S	*	*			trans	59.2	143.5	143.1	-76	165.4	39.7	0	0	121.6
800	S	32	Very low	30.5	Very low	83 Å²	83	134.9 Å²	134.9	58%	0.58	77%	0.768	S	S	*	*			cis	-177.8	135.8	2.5	51.7	0	0	0	0	106.1
801	H	34.9	Very low	30.3	Very low	176 Å²	176	137.9 Å²	137.9	82%	0.815	77%	0.771	S	S	*	*				145.7	145.7	93.2	-99.4	-64.3	0	0	0	104.2
802	S	36.1	Very low	30.2	Very low	88 Å²	88	140 Å²	140	62%	0.615	77%	0.773	S	S	*	*			cis	-169	125.1	0.2	56.5	0	0	0	0	110.5
803	I	30.5	Very low	30.2	Very low	154 Å²	154	141.5 Å²	141.5	79%	0.79	77%	0.773	S	S	*	*				82.7	104.2	124.2	-56.9	167.5	0	0	0	119.8
804	C	32.6	Very low	30.3	Very low	124 Å²	124	144.4 Å²	144.4	84%	0.838	78%	0.78	S	S	*	*				-171.1	88.4	117.9	-92.9	0	0	0	0	109.2
805	D	29.9	Very low	30.2	Very low	163 Å²	163	146.5 Å²	146.5	87%	0.872	78%	0.783	S	S	*	*			trans	-151.8	124.9	170.9	-129	-5.2	0	0	0	109.6
806	Q	32.7	Very low	30	Very low	197 Å²	197	152 Å²	152	92%	0.921	79%	0.792	S	S	*	*			trans	177.5	117.5	146.8	-105.3	-178.8	-1.6	0	0	112.7
807	A	33.3	Very low	30	Very low	98 Å²	98	152.7 Å²	152.7	81%	0.81	80%	0.797	S	S	*	*			trans	172.7	129.9	133.4	0	0	0	0	0	108.3
808	S	33.1	Very low	29.7	Very low	115 Å²	115	153.3 Å²	153.3	80%	0.804	80%	0.8	S	S	*	*			cis	-176.8	127.6	-4.2	44.4	0	0	0	0	106.4
809	I	25.6	Very low	29.4	Very low	170 Å²	170	154 Å²	154	87%	0.872	81%	0.809	S	S	*	*			trans	-106.9	121.3	167.6	-69.1	172	0	0	0	107.5
810	S	32.6	Very low	29	Very low	115 Å²	115	152.2 Å²	152.2	80%	0.804	81%	0.809	S	S	*	*			trans	-92.4	126.2	171.2	53.7	0	0	0	0	111.1
811	R	25.2	Very low	28.6	Very low	234 Å²	234	154.9 Å²	154.9	88%	0.883	82%	0.822	S	S	*	*			trans	-72.2	147	176	-59.2	171.6	-165.8	169.5	2.9	111.8
812	Y	28.2	Very low	28	Very low	232 Å²	232	152.5 Å²	152.5	91%	0.91	82%	0.82	S	S	*	*			trans	-127.6	121.9	147.8	-100.9	-86.9	0	0	0	109.4
813	K	24.7	Very low	27.5	Very low	190 Å²	190	152.8 Å²	152.8	83%	0.826	82%	0.82	S	S	*	*			trans	-78.3	152	161.4	-88.3	176.2	166.5	178.5	0	108.2
814	I	25.9	Very low	27.3	Very low	150 Å²	150	156 Å²	156	77%	0.769	83%	0.828	S	S	*	*				171	127.8	117.1	-83.3	157	0	0	0	111.8
815	N	24.9	Very low	26.9	Very low	146 Å²	146	156.4 Å²	156.4	78%	0.781	82%	0.821	S	S	*	*			trans	59	115.9	151.8	-65.4	-3.1	0	0	0	124.4
816	Y	23.9	Very low	26.6	Very low	239 Å²	239	155.8 Å²	155.8	94%	0.937	82%	0.817	S	S	*	*			trans	-72.4	127.7	153.1	-83.8	-99.6	0	0	0	111.2
817	S	26.2	Very low	26.3	Very low	104 Å²	104	152.3 Å²	152.3	73%	0.727	81%	0.808	S	S	*	*			trans	-160.3	122.2	145.8	49.4	0	0	0	0	111
818	N	24.8	Very low	25.9	Very low	160 Å²	160	152.6 Å²	152.6	86%	0.856	80%	0.801	S	S	*	*			trans	33.5	95.7	154.4	-65.8	-8	0	0	0	119.4
819	T	26.8	Very low	25.7	Very low	134 Å²	134	154.2 Å²	154.2	82%	0.822	80%	0.8	S	S	*	*			trans	-151.8	100	141.1	39.8	0	0	0	0	110.8
820	T	25.2	Very low	25.8	Very low	124 Å²	124	150.9 Å²	150.9	76%	0.761	79%	0.792	S	S	*	*			trans	18.4	111.8	145.3	51.7	0	0	0	0	119.3	T822	T820-T822 PolarHBondContact O-N 3.3Å
821	V	22.9	Very low	25.8	Very low	140 Å²	140	153 Å²	153	85%	0.848	79%	0.793	S	S	*	*			trans	-14.5	116.1	144.9	-173.5	0	0	0	0	113.7
822	T	24.1	Very low	26	Very low	125 Å²	125	149.2 Å²	149.2	77%	0.767	79%	0.79	S	S	*	*			trans	-127.7	125.9	153.6	35.2	0	0	0	0	108.4	T820	T820-T822 PolarHBondContact O-N 3.3Å
823	P	25.6	Very low	26	Very low	95 Å²	95	145.9 Å²	145.9	62%	0.617	79%	0.787	S	S	*	*			trans	-72.2	149.1	178.2	31	-31.6	0	0	0	109.2	I825	P823-I825 HydrophobicContact CG-CG1 4.44Å; P823-I825 PolarHBondContact O-N 3.3Å
824	F	24.9	Very low	26.4	Very low	220 Å²	220	142.8 Å²	142.8	97%	0.965	79%	0.786	S	S	*	*			trans	-57.2	106.9	161.6	-79.6	-91.3	0	0	0	108.2
825	I	24.8	Very low	26.4	Very low	133 Å²	133	140.9 Å²	140.9	68%	0.682	79%	0.786	S	S	*	*			trans	-83	127.3	176.8	-74	167.2	0	0	0	108.2	P823 V827	P823-I825 HydrophobicContact CG-CG1 4.44Å; P823-I825 PolarHBondContact O-N 3.3Å; I825-V827 PolarHBondContact O-N 3.47Å
826	L	23.1	Very low	26.8	Very low	151 Å²	151	143.6 Å²	143.6	79%	0.791	79%	0.791	S	S	*	*			trans	-50.5	116.5	158.3	-97	96.8	0	0	0	109	T828	L826-T828 PolarHBondContact O-N 3.45Å
827	V	27.1	Very low	27	Very low	123 Å²	123	137.2 Å²	137.2	75%	0.745	78%	0.781	S	S	*	*			trans	-85.2	97.9	168.6	-178.5	0	0	0	0	108.1	I825	I825-V827 PolarHBondContact O-N 3.47Å
828	T	24.8	Very low	27.2	Very low	105 Å²	105	137.2 Å²	137.2	64%	0.644	78%	0.781	S	S	*	*			trans	-85.5	112.7	158.2	43.9	0	0	0	0	107.8	L826 S830	L826-T828 PolarHBondContact O-N 3.45Å; T828-S830 PolarHBondContact O-N 2.85Å
829	D	28	Very low	27.4	Very low	149 Å²	149	136.6 Å²	136.6	80%	0.797	78%	0.784	S	S	*	*			trans	-70.9	100.7	175.6	-82.7	-24.2	0	0	0	110.4
830	S	27.7	Very low	27.5	Very low	100 Å²	100	133.4 Å²	133.4	70%	0.699	78%	0.777	S	S	*	*			trans	-115.7	107.7	160.6	41	0	0	0	0	107.7	T828	T828-S830 PolarHBondContact O-N 2.85Å
831	I	34	Very low	27.5	Very low	159 Å²	159	134.8 Å²	134.8	82%	0.815	78%	0.778	S	S	*	*			trans	-88.5	114.8	177.7	-64.4	174.2	0	0	0	108.5
832	N	29.7	Very low	28	Very low	154 Å²	154	135.7 Å²	135.7	82%	0.824	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-73.2	140	168.5	-84.6	-41.4	0	0	0	111.3
833	L	26.9	Very low	28.1	Very low	162 Å²	162	137.4 Å²	137.4	85%	0.848	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-68.2	150.5	166.5	-80.1	99.3	0	0	0	111.9
834	P	32.4	Very low	28.3	Very low	125 Å²	125	144.2 Å²	144.2	81%	0.812	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-86	138.3	163.1	33.7	-28.4	0	0	0	111.6
835	S	27.9	Very low	28.4	Very low	110 Å²	110	140.1 Å²	140.1	77%	0.769	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-86.6	146.8	173.2	51.2	0	0	0	0	112.4
836	K	32.6	Very low	28.5	Very low	204 Å²	204	141.4 Å²	141.4	89%	0.887	79%	0.788	S	S	*	*			trans	160	138.1	152.5	-93.3	171.1	-176.8	-175.6	0	106.9
837	S	27.9	Very low	28.8	Very low	105 Å²	105	141.3 Å²	141.3	73%	0.734	79%	0.787	S	S	*	*			cis	-179.3	164	-1.4	42.9	0	0	0	0	107
838	S	30.1	Very low	28.6	Very low	104 Å²	104	144.9 Å²	144.9	73%	0.727	79%	0.793	S	S	*	*			trans	91.7	91.7	169.3	93.6	0	0	0	0	116
839	T	28.4	Very low	28.8	Very low	147 Å²	147	146.2 Å²	146.2	90%	0.902	80%	0.8	S	S	*	*				92.9	126.6	73.7	50.4	0	0	0	0	114.1
840	G	29.3	Very low	28.8	Very low	66 Å²	66	144 Å²	144	68%	0.68	80%	0.797	S	S	*	*			trans	114.6	82.7	174.1	0	0	0	0	0	111.6
841	I	26.1	Very low	28.6	Very low	154 Å²	154	147.2 Å²	147.2	79%	0.79	81%	0.805	S	S	*	*				44.5	100.2	76.9	-46.7	179.9	0	0	0	109.1
842	D	31.8	Very low	28.4	Very low	159 Å²	159	145.5 Å²	145.5	85%	0.85	81%	0.805	S	S	*	*				-141.3	146.7	76.9	-87.5	-43.9	0	0	0	115.7
843	Q	26.3	Very low	28.2	Very low	160 Å²	160	146.8 Å²	146.8	75%	0.748	80%	0.803	S	S	*	*			trans	-76.9	141.6	178.2	-65.1	166.5	-45.7	0	0	111.7
844	Y	31	Very low	28.2	Very low	238 Å²	238	146.3 Å²	146.3	93%	0.933	80%	0.8	S	S	*	*				-154.2	134.1	125.6	-104.6	-78.4	0	0	0	110.3
845	N	26.4	Very low	27.9	Very low	135 Å²	135	147.2 Å²	147.2	72%	0.722	80%	0.798	S	S	*	*			trans	-79.9	174.6	-166.7	-80	-49.1	0	0	0	115
846	L	26.1	Very low	27.8	Very low	159 Å²	159	147.7 Å²	147.7	83%	0.832	80%	0.801	S	S	*	*			trans	95.8	115.7	160	-74.3	117.9	0	0	0	114.8
847	I	29.9	Very low	27.4	Very low	150 Å²	150	146.1 Å²	146.1	77%	0.769	80%	0.799	S	S	*	*			cis	-149.4	138.3	28	-82.6	145.6	0	0	0	111.2
848	K	23.4	Very low	27.3	Very low	198 Å²	198	149.4 Å²	149.4	86%	0.861	80%	0.802	S	S	*	*			trans	-76.5	138.2	167.2	-83.4	172.6	170	174.3	0	110.7
849	T	27.9	Very low	27	Very low	132 Å²	132	151 Å²	151	81%	0.81	80%	0.802	S	S	*	*			trans	164	132.7	140.6	36.3	0	0	0	0	106.6
850	S	28.1	Very low	26.9	Very low	104 Å²	104	151.6 Å²	151.6	73%	0.727	80%	0.8	S	S	*	*			cis	-171.5	124	-1	40.5	0	0	0	0	105.8
851	L	24.4	Very low	26.8	Very low	166 Å²	166	153.6 Å²	153.6	87%	0.869	80%	0.798	S	S	*	*			trans	-70	147.3	162	-95.2	98.2	0	0	0	109.6
852	P	30.3	Very low	26.8	Very low	124 Å²	124	151.6 Å²	151.6	81%	0.805	80%	0.795	S	S	*	*			trans	-108.7	114.2	142.3	28.4	-14.8	0	0	0	110.3
853	K	25.1	Very low	26.7	Very low	180 Å²	180	152 Å²	152	78%	0.783	80%	0.796	S	S	*	*			trans	-65.3	170.7	138.9	-91.1	178.6	169.4	179.1	0	108.4
854	I	27.3	Very low	26.8	Very low	153 Å²	153	153 Å²	153	79%	0.785	80%	0.797	S	S	*	*			trans	99.8	128.5	165.3	-53.9	157	0	0	0	111.9
855	D	26	Very low	26.5	Very low	144 Å²	144	147.3 Å²	147.3	77%	0.77	79%	0.788	S	S	*	*			cis	-160.3	140.2	-12.5	-104.3	-20.3	0	0	0	105.9	M857	D855-M857 PolarHBondContact O-N 3.12Å
856	S	24.9	Very low	26.6	Very low	119 Å²	119	151 Å²	151	83%	0.832	80%	0.798	S	S	*	*			trans	-79.3	96	170.3	52.6	0	0	0	0	109.4
857	M	24.4	Very low	26.7	Very low	172 Å²	172	152.2 Å²	152.2	85%	0.847	80%	0.799	S	S	*	*			trans	-94.1	112.8	170.9	-155	171.8	-176.2	0	0	109.5	D855 L859	D855-M857 PolarHBondContact O-N 3.12Å; M857-L859 PolarHBondContact O-N 3.12Å
858	H	26.1	Very low	26.5	Very low	174 Å²	174	152.6 Å²	152.6	81%	0.806	80%	0.798	S	S	*	*			trans	-61.7	125.7	168	-85.7	-92	0	0	0	109.9
859	L	24.3	Very low	26.7	Very low	137 Å²	137	149.8 Å²	149.8	72%	0.717	80%	0.801	S	S	*	*			trans	-132.3	104.2	161.5	-137.1	91.8	0	0	0	109.6	M857 V861	M857-L859 PolarHBondContact O-N 3.12Å; L859-V861 HydrophobicContact CD2-CG2 3.94Å; L859-V861 PolarHBondContact O-N 2.77Å
860	N	25.7	Very low	26.8	Very low	160 Å²	160	150.6 Å²	150.6	86%	0.856	80%	0.799	S	S	*	*			trans	-70.5	115.7	163.1	-81.8	-19.9	0	0	0	107.9
861	V	27.5	Very low	27.1	Very low	108 Å²	108	150.9 Å²	150.9	66%	0.655	80%	0.798	S	S	*	*			trans	-111.8	121.5	167.5	-178.2	0	0	0	0	108.4	L859	L859-V861 HydrophobicContact CD2-CG2 3.94Å; L859-V861 PolarHBondContact O-N 2.77Å
862	P	25.8	Very low	27.3	Very low	112 Å²	112	150.4 Å²	150.4	73%	0.727	80%	0.797	S	S	*	*			trans	-80.1	121.2	174.9	31.8	-28.5	0	0	0	108.8	K864	P862-K864 PolarHBondContact O-N 3.37Å
863	I	30.9	Very low	27.2	Very low	167 Å²	167	153.5 Å²	153.5	86%	0.856	80%	0.798	S	S	*	*			trans	-82.2	102.1	169.8	-62.3	177	0	0	0	107.6
864	K	28.1	Very low	27.4	Very low	180 Å²	180	150 Å²	150	78%	0.783	80%	0.795	S	S	*	*			trans	-71	136.8	166.8	-89.7	-179.6	173.5	178.6	0	110.6	P862	P862-K864 PolarHBondContact O-N 3.37Å
865	T	24.1	Very low	27.3	Very low	120 Å²	120	151.4 Å²	151.4	74%	0.736	80%	0.796	S	S	*	*			trans	-28.3	139.4	157.3	47.2	0	0	0	0	116
866	F	28.3	Very low	27.4	Very low	213 Å²	213	152.9 Å²	152.9	93%	0.934	80%	0.795	S	S	*	*			trans	-129.3	115.7	149.7	-104.2	-85.1	0	0	0	110.1
867	E	28.2	Very low	27.5	Very low	183 Å²	183	154.8 Å²	154.8	86%	0.855	80%	0.796	S	S	*	*			trans	-74.7	162.1	167.9	-76.2	171.5	142.5	0	0	111.2
868	E	26	Very low	27.7	Very low	159 Å²	159	154.2 Å²	154.2	74%	0.743	80%	0.797	S	S	*	*			trans	-52.3	149.8	-179.8	-65.5	163.5	140.6	0	0	115.7
869	C	27.7	Very low	27.6	Very low	138 Å²	138	155.6 Å²	155.6	93%	0.932	80%	0.8	S	S	*	*			trans	-132.2	123.3	144.8	-97.6	0	0	0	0	109.2
870	I	30.1	Very low	27.8	Very low	150 Å²	150	160.3 Å²	160.3	77%	0.769	81%	0.81	S	S	*	*			trans	-73.7	150.8	-178.9	-69.6	172.3	0	0	0	110.7
871	P	34	Very low	27.7	Very low	109 Å²	109	161.7 Å²	161.7	71%	0.708	81%	0.808	S	S	*	*			trans	-92.9	147.9	-167.6	35.9	-29.6	0	0	0	112.8
872	D	28.8	Very low	27.8	Very low	156 Å²	156	162.4 Å²	162.4	83%	0.834	81%	0.813	S	S	*	*			trans	-168.4	137.2	145.6	-104.4	-23	0	0	0	112.2
873	K	29	Very low	27.9	Very low	190 Å²	190	162.8 Å²	162.8	83%	0.826	81%	0.813	S	S	*	*			trans	80.4	115.8	160.8	-70.7	175.9	178.3	172.7	0	121.2
874	C	27.7	Very low	27.9	Very low	107 Å²	107	161.3 Å²	161.3	72%	0.723	81%	0.806	S	S	*	*			trans	93.4	101.3	135.1	-66.9	0	0	0	0	120.5
875	F	27.1	Very low	28	Very low	182 Å²	182	158.5 Å²	158.5	80%	0.798	81%	0.809	S	S	*	*				53.9	131.9	125.2	-78	-80.9	0	0	0	122.5
876	K	26.1	Very low	28.7	Very low	174 Å²	174	155.6 Å²	155.6	76%	0.757	79%	0.791	S	S	*	*			trans	57.1	96.3	142.6	-77.3	172.3	177.6	-174.9	0	117.1
877	D	28.8	Very low	29.1	Very low	159 Å²	159	150 Å²	150	85%	0.85	78%	0.776	S	S	*	*				164.8	139.2	112.1	-83.2	-22.3	0	0	0	111	K879	D877-K879 PolarHBondContact O-N 2.61Å
878	N	26.8	Very low	29.7	Very low	161 Å²	161	149.6 Å²	149.6	86%	0.861	78%	0.78	S	S	*	*			trans	-57.6	117.5	179.8	-73.6	-30.6	0	0	0	112.2
879	K	25.8	Very low	30.4	Very low	203 Å²	203	146.5 Å²	146.5	88%	0.883	77%	0.768	S	S	*	*			trans	176.7	98.3	144.5	-100.6	163.6	-174.5	178	0	110.2	D877	D877-K879 PolarHBondContact O-N 2.61Å
880	Y	26.9	Very low	31	Very low	236 Å²	236	145.9 Å²	145.9	93%	0.925	76%	0.756	S	S	*	*			trans	-84.5	115.2	163.7	-68.8	-78.8	0	0	0	109.4
881	K	25.1	Very low	31.3	Very low	189 Å²	189	146.7 Å²	146.7	82%	0.822	75%	0.75	S	S	*	*			trans	-95.7	104.5	171.5	-163.8	178.4	-172.9	179.4	0	107.8	V883	K881-V883 HydrophobicContact CG-CG2 4.33Å; K881-V883 PolarHBondContact O-N 2.99Å
882	V	29	Very low	31.7	Very low	122 Å²	122	145.3 Å²	145.3	74%	0.739	74%	0.736	S	S	*	*			trans	-74.9	107	170.8	179.6	0	0	0	0	107.7	L884	V882-L884 HydrophobicContact CG1-CD1 4.41Å; V882-L884 HydrophobicContact CG1-CG 4.17Å; V882-L884 PolarHBondContact O-N 3.1Å
883	V	27.8	Very low	32.1	Very low	121 Å²	121	142.9 Å²	142.9	73%	0.733	72%	0.719	S	S	*	*			trans	-90.7	96.9	174.7	-178.3	0	0	0	0	108.3	K881	K881-V883 HydrophobicContact CG-CG2 4.33Å; K881-V883 PolarHBondContact O-N 2.99Å
884	L	29.9	Very low	32.6	Very low	135 Å²	135	137.9 Å²	137.9	71%	0.707	70%	0.704	S	S	*	*			trans	-82.7	109.4	167.4	-79.1	156.2	0	0	0	108.7	V882 V886	V882-L884 HydrophobicContact CG1-CD1 4.41Å; V882-L884 HydrophobicContact CG1-CG 4.17Å; V882-L884 PolarHBondContact O-N 3.1Å; L884-V886 HydrophobicContact CB-CG2 4.13Å; L884-V886 PolarHBondContact O-N 2.9Å
885	S	31.1	Very low	33.3	Very low	121 Å²	121	138.4 Å²	138.4	85%	0.846	70%	0.696	S	S	*	*			trans	-74.1	99	165.9	177.2	0	0	0	0	108.3
886	V	38.7	Very low	33.9	Very low	59 Å²	59	137.6 Å²	137.6	36%	0.358	69%	0.692	S	S	.	*			trans	-100.7	125.2	176	-171.2	0	0	0	0	108.1	L884 K893	L884-V886 HydrophobicContact CB-CG2 4.13Å; L884-V886 PolarHBondContact O-N 2.9Å; V886-K893 HydrophobicContact CG1-CG 4.34Å
887	P	36.1	Very low	34.6	Very low	97 Å²	97	133.6 Å²	133.6	63%	0.63	68%	0.678	S	S	*	*			trans	-62.8	147.4	174.7	26	-31.3	0	0	0	110.4	N889	P887-N889 PolarHBondContact O-N 3.33Å
888	N	41.2	Very low	35.2	Very low	173 Å²	173	131.6 Å²	131.6	93%	0.925	66%	0.663	S	S	*	*	S	Bend	trans	-62.2	43.4	-168.8	-78.9	-12.8	0	0	0	116.7
889	N	41.1	Very low	35.8	Very low	95 Å²	95	125.8 Å²	125.8	51%	0.508	64%	0.642	S	S	.	*			trans	-113.1	102.1	176.2	-154.8	-11.2	0	0	0	109.9	P887 Y891 L892 K893	P887-N889 PolarHBondContact O-N 3.33Å; N889-Y891 PolarHBondContact O-N 3.04Å; N889-L892 HydrophobicContact CB-CD1 4.25Å; N889-L892 PolarHBondContact O-N 3.44Å; N889-K893 PolarHBondContact O-N 3.39Å
890	D	40.4	Very low	36.4	Very low	124 Å²	124	122.8 Å²	122.8	66%	0.663	63%	0.629	S	S	*	*	H	α-helix	trans	-58.9	-22.3	-171.4	-77.2	-31.3	0	0	0	113.7	T894	D890-T894 PolarHBondContact O-OG1 2.97Å; D890-T894 VanDerWaalsContact O-OG1 3.09Å
891	Y	36.1	Very low	37	Very low	167 Å²	167	115.1 Å²	115.1	66%	0.655	60%	0.603	S	S	*	*	H	α-helix	trans	-74.9	-34.6	177.1	-164.9	-97.7	0	0	0	113.4	N889	N889-Y891 PolarHBondContact O-N 3.04Å
892	L	42.1	Very low	37.6	Very low	80 Å²	80	110.9 Å²	110.9	42%	0.419	59%	0.589	S	S	.	*	H	α-helix	trans	-77.5	-28.3	178.9	-78.3	165.3	0	0	0	111.9	N889 T894 F896	N889-L892 HydrophobicContact CB-CD1 4.25Å; N889-L892 PolarHBondContact O-N 3.44Å; L892-T894 VanDerWaalsContact C-N 3.33Å; L892-T894 PolarHBondContact O-N 3.4Å; L892-F896 WeakPolarHBondContact O-CB 3.46Å; L892-F896 PolarHBondContact O-N 3.27Å; L892-F896 VanDerWaalsContact O-N 3.13Å
893	K	36.5	Very low	38	Very low	106 Å²	106	110.4 Å²	110.4	46%	0.461	59%	0.587	S	S	.	*	H	α-helix	trans	-63.4	-39.3	178.3	-147.6	173.9	-173.7	179.2	0	111.3	V886 N889 I897	V886-K893 HydrophobicContact CG1-CG 4.34Å; N889-K893 PolarHBondContact O-N 3.39Å; K893-I897 HydrophobicContact CG-CD1 4.07Å; K893-I897 VanDerWaalsContact O-CB 3.3Å; K893-I897 WeakPolarHBondContact O-CB 3.26Å; K893-I897 VanDerWaalsContact O-CD1 3.27Å; K893-I897 WeakPolarHBondContact O-CD1 3.37Å; K893-I897 WeakPolarHBondContact O-CG1 3.49Å; K893-I897 PolarHBondContact O-N 3.21Å
894	T	40.1	Very low	38.4	Very low	85 Å²	85	110.5 Å²	110.5	52%	0.521	58%	0.583	S	S	.	*	H	α-helix	trans	-76.1	-36.1	-177.7	-32.2	0	0	0	0	112.7	D890 L892 H898	D890-T894 PolarHBondContact O-OG1 2.97Å; D890-T894 VanDerWaalsContact O-OG1 3.09Å; L892-T894 VanDerWaalsContact C-N 3.33Å; L892-T894 PolarHBondContact O-N 3.4Å; T894-H898 WeakPolarHBondContact O-CB 3.27Å; T894-H898 PolarHBondContact O-CD2 3.3Å; T894-H898 PolarHBondContact O-N 3.24Å
895	Q	41.9	Very low	38.8	Very low	117 Å²	117	111.7 Å²	111.7	55%	0.547	58%	0.584	S	S	.	*	H	α-helix	trans	-75.7	-36.7	177.9	-82.1	-173.9	-17.3	0	0	113.6	G899	Q895-G899 PolarHBondContact O-N 3.13Å
896	F	40.4	Very low	38.9	Very low	165 Å²	165	110.6 Å²	110.6	72%	0.724	58%	0.576	S	S	*	*	H	α-helix	trans	-71.5	-36.1	176.7	-115.5	-91.3	0	0	0	112.1	L892 F900	L892-F896 WeakPolarHBondContact O-CB 3.46Å; L892-F896 PolarHBondContact O-N 3.27Å; L892-F896 VanDerWaalsContact O-N 3.13Å; F896-F900 VanDerWaalsContact O-CB 3.26Å; F896-F900 WeakPolarHBondContact O-CB 3.15Å; F896-F900 PolarHBondContact O-N 3.35Å; F896-F900 VanDerWaalsContact O-N 3.1Å
897	I	41.7	Very low	38.6	Very low	91 Å²	91	110.5 Å²	110.5	47%	0.467	59%	0.588	S	S	.	*	H	α-helix	trans	-72.1	-40.5	176.9	-67.6	171.6	0	0	0	110.5	K893 I901	K893-I897 HydrophobicContact CG-CD1 4.07Å; K893-I897 VanDerWaalsContact O-CB 3.3Å; K893-I897 WeakPolarHBondContact O-CB 3.26Å; K893-I897 VanDerWaalsContact O-CD1 3.27Å; K893-I897 WeakPolarHBondContact O-CD1 3.37Å; K893-I897 WeakPolarHBondContact O-CG1 3.49Å; K893-I897 PolarHBondContact O-N 3.21Å; I897-I901 HydrophobicContact CG2-CD1 3.54Å; I897-I901 HydrophobicContact CG2-CG1 4.39Å; I897-I901 VanDerWaalsContact O-CB 3.31Å; I897-I901 WeakPolarHBondContact O-CB 3.31Å; I897-I901 WeakPolarHBondContact O-CD1 3.3Å; I897-I901 WeakPolarHBondContact O-CG1 3.37Å; I897-I901 PolarHBondContact O-N 3.06Å
898	H	40.3	Very low	38.2	Very low	116 Å²	116	115.5 Å²	115.5	54%	0.537	60%	0.603	S	S	.	*	H	α-helix	trans	-65.8	-44.6	174.2	-98.4	-88.6	0	0	0	112.9	T894 F900 I901 D902	T894-H898 WeakPolarHBondContact O-CB 3.27Å; T894-H898 PolarHBondContact O-CD2 3.3Å; T894-H898 PolarHBondContact O-N 3.24Å; H898-F900 VanDerWaalsContact C-N 3.33Å; H898-F900 PolarHBondContact O-N 3.06Å; H898-I901 PolarHBondContact O-N 3.23Å; H898-D902 WeakPolarHBondContact O-CB 3.11Å; H898-D902 PolarHBondContact O-N 3.49Å
899	G	39.7	Very low	37.7	Very low	39 Å²	39	116.7 Å²	116.7	40%	0.402	60%	0.6	S	S	.	*	H	α-helix	trans	-65.3	-33.6	178.3	0	0	0	0	0	113.7	Q895 T903	Q895-G899 PolarHBondContact O-N 3.13Å; G899-T903 PolarHBondContact O-N 3.48Å; G899-T903 PolarHBondContact O-OG1 3.22Å
900	F	37.9	Very low	37.2	Very low	141 Å²	141	117.9 Å²	117.9	62%	0.618	62%	0.616	S	S	*	*	H	α-helix	trans	-75.9	-35.2	177	-164.5	-99.5	0	0	0	112.4	F896 H898 L904	F896-F900 VanDerWaalsContact O-CB 3.26Å; F896-F900 WeakPolarHBondContact O-CB 3.15Å; F896-F900 PolarHBondContact O-N 3.35Å; F896-F900 VanDerWaalsContact O-N 3.1Å; H898-F900 VanDerWaalsContact C-N 3.33Å; H898-F900 PolarHBondContact O-N 3.06Å; F900-L904 HydrophobicContact CD1-CD1 4.01Å; F900-L904 HydrophobicContact CE1-CD1 3.84Å
901	I	40.5	Very low	36.5	Very low	75 Å²	75	119 Å²	119	39%	0.385	63%	0.627	S	S	.	*	H	α-helix	trans	-74.2	-38	177.3	-69.1	173.5	0	0	0	111.3	I897 H898 T903 L904 H905	I897-I901 HydrophobicContact CG2-CD1 3.54Å; I897-I901 HydrophobicContact CG2-CG1 4.39Å; I897-I901 VanDerWaalsContact O-CB 3.31Å; I897-I901 WeakPolarHBondContact O-CB 3.31Å; I897-I901 WeakPolarHBondContact O-CD1 3.3Å; I897-I901 WeakPolarHBondContact O-CG1 3.37Å; I897-I901 PolarHBondContact O-N 3.06Å; H898-I901 PolarHBondContact O-N 3.23Å; I901-T903 VanDerWaalsContact C-N 3.27Å; I901-T903 PolarHBondContact O-N 3.18Å; I901-L904 PolarHBondContact O-N 2.96Å; I901-L904 VanDerWaalsContact O-N 3.11Å; I901-H905 PolarHBondContact O-CD2 3.44Å; I901-H905 PolarHBondContact O-N 3.06Å; I901-H905 VanDerWaalsContact O-N 3.13Å
902	D	37	Very low	36.1	Very low	100 Å²	100	114.1 Å²	114.1	54%	0.535	63%	0.628	S	S	.	*	H	α-helix	trans	-68	-26.9	177.2	-70.5	-22.5	0	0	0	112.7	H898 L904 S906	H898-D902 WeakPolarHBondContact O-CB 3.11Å; H898-D902 PolarHBondContact O-N 3.49Å; D902-L904 VanDerWaalsContact C-N 3.33Å; D902-S906 PolarHBondContact O-OG 2.7Å
903	T	38.2	Very low	35.5	Very low	111 Å²	111	115.7 Å²	115.7	68%	0.681	65%	0.645	S	S	*	*	H	α-helix	trans	-76.3	-22	174.7	-44.8	0	0	0	0	112.2	G899 I901	G899-T903 PolarHBondContact O-N 3.48Å; G899-T903 PolarHBondContact O-OG1 3.22Å; I901-T903 VanDerWaalsContact C-N 3.27Å; I901-T903 PolarHBondContact O-N 3.18Å
904	L	36.3	Very low	35	Very low	124 Å²	124	115.4 Å²	115.4	65%	0.649	66%	0.657	S	S	*	*	H	α-helix	trans	-89.4	-24	176.6	-83	158	0	0	0	113	F900 I901 D902	F900-L904 HydrophobicContact CD1-CD1 4.01Å; F900-L904 HydrophobicContact CE1-CD1 3.84Å; I901-L904 PolarHBondContact O-N 2.96Å; I901-L904 VanDerWaalsContact O-N 3.11Å; D902-L904 VanDerWaalsContact C-N 3.33Å
905	H	37	Very low	34.4	Very low	159 Å²	159	118.2 Å²	118.2	74%	0.736	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-2.2	-176.5	-89.1	-74.3	0	0	0	115.8	I901	I901-H905 PolarHBondContact O-CD2 3.44Å; I901-H905 PolarHBondContact O-N 3.06Å; I901-H905 VanDerWaalsContact O-N 3.13Å
906	S	34.7	Very low	33.9	Very low	98 Å²	98	121.1 Å²	121.1	69%	0.685	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	9.5	-177.1	49.4	0	0	0	0	115.5	D902	D902-S906 PolarHBondContact O-OG 2.7Å
907	G	30.8	Very low	33.4	Very low	58 Å²	58	119.5 Å²	119.5	60%	0.598	69%	0.685	S	S	*	*			trans	-98.5	104.2	174.1	0	0	0	0	0	113	F909	G907-F909 PolarHBondContact O-N 3.09Å; G907-F909 VanDerWaalsContact O-N 3.11Å
908	Q	29.4	Very low	33	Very low	201 Å²	201	120.3 Å²	120.3	94%	0.939	70%	0.696	S	S	*	*			trans	-63.1	104.1	168.3	-76.5	179.7	-28.8	0	0	110.6
909	F	28.8	Very low	32.7	Very low	199 Å²	199	122.7 Å²	122.7	87%	0.873	71%	0.707	S	S	*	*			trans	-93.9	111	158.2	-93	-86.1	0	0	0	108.7	G907 T911	G907-F909 PolarHBondContact O-N 3.09Å; G907-F909 VanDerWaalsContact O-N 3.11Å; F909-T911 PolarHBondContact O-N 3.42Å
910	S	30.5	Very low	32.1	Very low	120 Å²	120	128.5 Å²	128.5	84%	0.839	73%	0.727	S	S	*	*			trans	-68.4	118.4	170.3	54.4	0	0	0	0	110
911	T	27.1	Very low	31.7	Very low	146 Å²	146	134.2 Å²	134.2	90%	0.896	76%	0.759	S	S	*	*			trans	-72.8	133	175.7	49.3	0	0	0	0	112	F909	F909-T911 PolarHBondContact O-N 3.42Å
912	G	27.5	Very low	31.3	Very low	65 Å²	65	137.2 Å²	137.2	67%	0.67	78%	0.778	S	S	*	*			trans	-147.2	118.8	163.1	0	0	0	0	0	110.5
913	S	29.5	Very low	31	Very low	113 Å²	113	139.2 Å²	139.2	79%	0.79	79%	0.791	S	S	*	*			trans	59.3	93.9	171.5	57.3	0	0	0	0	117
914	S	26.4	Very low	30.6	Very low	101 Å²	101	140.7 Å²	140.7	71%	0.706	80%	0.797	S	S	*	*				84.6	112.2	80.5	69.8	0	0	0	0	113.5
915	I	27.2	Very low	30.2	Very low	143 Å²	143	141.7 Å²	141.7	73%	0.733	81%	0.806	S	S	*	*				152.5	106.6	126.4	-74.7	157.3	0	0	0	110.3
916	E	30.1	Very low	29.8	Very low	178 Å²	178	140.6 Å²	140.6	83%	0.832	81%	0.81	S	S	*	*			trans	60.1	101.5	137.6	-59.8	176.8	172.5	0	0	121.4
917	T	30.6	Very low	29.5	Very low	132 Å²	132	143.5 Å²	143.5	81%	0.81	82%	0.818	S	S	*	*			trans	-57.1	176.1	143.3	52	0	0	0	0	112.5
918	P	34.4	Very low	29.4	Very low	107 Å²	107	149.6 Å²	149.6	70%	0.695	83%	0.834	S	S	*	*			cis	-148	-167.3	16.3	27.6	1	0	0	0	116.5
919	Q	32.5	Very low	29.4	Very low	166 Å²	166	145.6 Å²	145.6	78%	0.776	83%	0.826	S	S	*	*			trans	102.9	94.5	152.5	-57.6	-169.8	-28.3	0	0	117.1
920	I	26.8	Very low	29.4	Very low	161 Å²	161	141.2 Å²	141.2	83%	0.826	82%	0.822	S	S	*	*				77.7	103.6	82.4	-65.7	163.3	0	0	0	112.8
921	M	30.5	Very low	29.3	Very low	262 Å²	262	143.1 Å²	143.1	100%	1.291	82%	0.82	S	S	*	*				-154.4	0	121.8	-143.2	-179.1	-168	0	0	110.1

Retrieved 921 of 921 residues in 189.6 ms (Link to these results)

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